A0A077Z0S5_TRITR Loading...

Protein LSM14 A

AlphaFold DB , UniProt , Accession A0A077Z0S5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 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
1M36.9Very low76.3Confident241 Ų24182.2 Ų82.2100%1.18749%0.485SS*.  01080-69.4-55.3-172.100108.3
2S53.3Low78Confident112 Ų11275.3 Ų75.378%0.78345%0.445SS*.  trans-76.9124.4169.3-175.90000107.7
3T55.4Low79.4Confident106 Ų10671.5 Ų71.565%0.6542%0.421SS*.  trans-63134.7173.341.20000108.9L5T3-L5 PolarHBondContact O-N 3.28Å
4P60.7Low80.7Confident119 Ų11967.4 Ų67.477%0.77340%0.397SS*.  trans-66.7105.6177.926.4-32.7000109I6P4-I6 PolarHBondContact O-N 3.41Å
5L79Confident81.7Confident64 Ų6471.1 Ų71.134%0.33541%0.406SS..  trans-69.75.6-176.3-68.7166.4000113.8T3 G7 S8 L24 V75T3-L5 PolarHBondContact O-N 3.28Å; L5-G7 PolarHBondContact O-N 3.46Å; L5-S8 WeakPolarHBondContact O-CB 3.26Å; L5-S8 PolarHBondContact O-N 3.39Å; L5-S8 PolarHBondContact O-OG 3.09Å; L5-L24 HydrophobicContact CB-CD2 3.89Å; L5-V75 HydrophobicContact CD1-CG2 3.81Å; L5-V75 HydrophobicContact CD2-CG1 3.95Å; L5-V75 HydrophobicContact CD2-CG2 4.04Å; L5-V75 HydrophobicContact CG-CG2 4.48Å
6I87.9Confident82.5Confident100 Ų10071 Ų7151%0.51341%0.412SS..THydrogen-bonded Turntrans-57.6138.3-179.2-117.372.3000110.2P4 S8 L24 Y25P4-I6 PolarHBondContact O-N 3.41Å; I6-S8 PolarHBondContact O-N 3.14Å; I6-L24 HydrophobicContact CD1-CD2 3.92Å; I6-L24 HydrophobicContact CD1-CG 3.92Å; I6-Y25 VanDerWaalsContact CG1-O 3.25Å; I6-Y25 WeakPolarHBondContact CG1-O 3.24Å
7G90.2Very high83.2Confident49 Ų4968.5 Ų68.551%0.50540%0.395SS..THydrogen-bonded Turntrans74.3-7.2-172.600000115.6L5 I23 L24L5-G7 PolarHBondContact O-N 3.46Å; G7-I23 WeakPolarHBondContact O-CG2 3.47Å; G7-L24 PolarHBondContact N-O 2.84Å
8S92.1Very high84Confident32 Ų3265.6 Ų65.622%0.22438%0.378CS..  trans-71.1151174.1-58.60000111.3L5 I6 I23 L24L5-S8 WeakPolarHBondContact O-CB 3.26Å; L5-S8 PolarHBondContact O-N 3.39Å; L5-S8 PolarHBondContact O-OG 3.09Å; I6-S8 PolarHBondContact O-N 3.14Å; S8-I23 WeakPolarHBondContact O-CA 3.32Å; S8-L24 PolarHBondContact O-N 3.08Å
9K94Very high84.6Confident73 Ų7365.7 Ų65.732%0.31737%0.371SS..EExtended strand (participates in β ladder)trans-78130.1174.6-156.7-174.7-167.3-154.70109.2E21 G22 R76 T78K9-E21 HydrophobicContact CD-CG 4.41Å; K9-E21 VanDerWaalsContact CE-OE1 3.28Å; K9-E21 WeakPolarHBondContact CE-OE1 3.23Å; K9-E21 WeakPolarHBondContact CE-OE2 3.4Å; K9-E21 HydrophobicContact CG-CG 4.4Å; K9-E21 IonicContact NZ-OE1 2.67Å; K9-E21 PolarHBondContact NZ-OE1 3.04Å; K9-E21 IonicContact NZ-OE2 2.91Å; K9-E21 PolarHBondContact NZ-OE2 3.39Å; K9-G22 CarbonylContact C-O 3.59Å; K9-G22 WeakPolarHBondContact CA-O 3.35Å; K9-G22 WeakPolarHBondContact CG-O 3.41Å; K9-R76 HydrophobicContact CB-CB 4.25Å; K9-R76 WeakPolarHBondContact CB-O 3.36Å; K9-R76 CarbonylContact O-C 3.56Å; K9-R76 WeakPolarHBondContact O-CA 3.32Å; K9-R76 PolarHBondContact O-N 2.93Å; K9-R76 VanDerWaalsContact O-O 3.04Å; K9-T78 HydrophobicContact CB-CG2 4.45Å
10I94.3Very high85.3Confident4 Ų464.4 Ų64.42%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-118.4136179.3-66.6-175.4000109.9L12 E21 G22 L24 L36 L73I10-L12 HydrophobicContact CG2-CB 4.29Å; I10-E21 WeakPolarHBondContact O-CA 3.39Å; I10-G22 PolarHBondContact N-O 3.4Å; I10-G22 PolarHBondContact O-N 3.07Å; I10-L24 HydrophobicContact CD1-CB 3.72Å; I10-L24 HydrophobicContact CD1-CD1 3.97Å; I10-L24 HydrophobicContact CD1-CD2 4Å; I10-L24 HydrophobicContact CD1-CG 4.1Å; I10-L24 HydrophobicContact CG1-CB 4.36Å; I10-L36 HydrophobicContact CB-CD2 4.14Å; I10-L36 HydrophobicContact CD1-CD2 4.13Å; I10-L36 HydrophobicContact CG2-CD1 4.39Å; I10-L36 HydrophobicContact CG2-CD2 4.46Å; I10-L73 HydrophobicContact CD1-CD2 4.29Å; I10-L73 HydrophobicContact CG2-CD1 4.42Å; I10-L73 HydrophobicContact CG2-CD2 3.97Å; I10-L73 HydrophobicContact CG2-CG 3.83Å
11S95.7Very high85.8Confident4 Ų462.2 Ų62.23%0.02835%0.348CS..EExtended strand (participates in β ladder)trans-104.7113.7165.2172.60000108Y20 L74S11-Y20 WeakPolarHBondContact CA-O 3.42Å; S11-L74 PolarHBondContact N-O 2.97Å; S11-L74 PolarHBondContact O-N 2.97Å
12L96.3Very high88.6Confident0 Ų050.9 Ų50.90%029%0.293CS..EExtended strand (participates in β ladder)trans-114.8137.8-175.9-179157000109.4I10 R19 Y20 L36 F65 I70I10-L12 HydrophobicContact CG2-CB 4.29Å; L12-R19 WeakPolarHBondContact O-CA 3.22Å; L12-Y20 HydrophobicContact CD2-CD2 4.09Å; L12-Y20 PolarHBondContact N-O 3.43Å; L12-Y20 PolarHBondContact O-N 3.22Å; L12-L36 HydrophobicContact CB-CD1 4.35Å; L12-L36 HydrophobicContact CD1-CD1 4.19Å; L12-F65 HydrophobicContact CD1-CB 4.16Å; L12-F65 HydrophobicContact CD1-CD1 4.21Å; L12-F65 HydrophobicContact CD1-CD2 3.79Å; L12-F65 HydrophobicContact CD1-CE2 4.21Å; L12-F65 HydrophobicContact CD1-CG 3.79Å; L12-F65 HydrophobicContact CD2-CD1 3.82Å; L12-F65 HydrophobicContact CD2-CE1 3.78Å; L12-F65 HydrophobicContact CD2-CG 4.26Å; L12-F65 HydrophobicContact CD2-CZ 4.18Å; L12-I70 HydrophobicContact CD1-CD1 3.71Å; L12-I70 HydrophobicContact CD1-CG1 3.99Å; L12-I70 HydrophobicContact CD2-CG1 4.4Å; L12-I70 HydrophobicContact CG-CD1 4.44Å; L12-I70 HydrophobicContact CG-CG1 4.3Å; L12-I70 HydrophobicContact CG-CG2 4.18Å
13I96.9Very high90.6Very high26 Ų2648.7 Ų48.713%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-116.5125172.3-56.3178.6000108.3I18 R19 K71 D72I13-I18 WeakPolarHBondContact CA-O 3.38Å; I13-R19 HydrophobicContact CG1-CB 4.41Å; I13-K71 PolarHBondContact O-N 3.36Å; I13-D72 HydrophobicContact CB-CB 4.27Å; I13-D72 HydrophobicContact CD1-CB 4.45Å; I13-D72 PolarHBondContact N-O 3.46Å; I13-D72 PolarHBondContact O-N 3.12Å
14S96.8Very high92.5Very high13 Ų1344.1 Ų44.19%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-82.7169.4177.468.70000112.5S16 E17 I18 D69S14-S16 PolarHBondContact O-N 3.33Å; S14-E17 WeakPolarHBondContact O-CA 3.31Å; S14-E17 PolarHBondContact O-N 3.06Å; S14-I18 PolarHBondContact N-O 3.06Å; S14-I18 VanDerWaalsContact N-O 3.09Å; S14-D69 CarbonylContact C-O 3.48Å; S14-D69 WeakPolarHBondContact CA-O 3.42Å
15K95.7Very high94.2Very high123 Ų12344.3 Ų44.354%0.53523%0.229SC..THydrogen-bonded Turntrans-51.2-38.6170.1-81.4178179.2155.40113.6E17 T68 D69K15-E17 PolarHBondContact O-N 2.8Å; K15-T68 WeakPolarHBondContact CE-O 3.14Å; K15-T68 PolarHBondContact NZ-O 2.9Å; K15-D69 HydrophobicContact CD-CB 4.38Å; K15-D69 PolarHBondContact N-O 2.95Å; K15-D69 IonicContact NZ-OD1 2.73Å; K15-D69 PolarHBondContact NZ-OD1 3.5Å
16S94.3Very high94.9Very high70 Ų7043.6 Ų43.649%0.4923%0.227SC..THydrogen-bonded Turntrans-71.310.5175.1-44.40000113.7S14 I18S14-S16 PolarHBondContact O-N 3.33Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.12Å
17E95.5Very high95.2Very high29 Ų2942.4 Ų42.414%0.13623%0.225CC..  trans5724-178.3-45.8-157.6124.300114.9S14 K15 R47 R48 T49 K71S14-E17 WeakPolarHBondContact O-CA 3.31Å; S14-E17 PolarHBondContact O-N 3.06Å; K15-E17 PolarHBondContact O-N 2.8Å; E17-R47 HydrophobicContact CB-CB 4.06Å; E17-R47 VanDerWaalsContact O-CZ 3.23Å; E17-R47 PolarHBondContact O-NE 2.97Å; E17-R47 PolarHBondContact O-NH2 3.5Å; E17-R47 WeakPolarHBondContact OE2-CB 3.47Å; E17-R48 PolarHBondContact OE2-N 3.05Å; E17-R48 VanDerWaalsContact OE2-O 3.12Å; E17-T49 HydrophobicContact CB-CG2 4.44Å; E17-T49 WeakPolarHBondContact CB-OG1 3.41Å; E17-T49 PolarHBondContact OE2-N 2.92Å; E17-T49 PolarHBondContact OE2-OG1 2.9Å; E17-K71 IonicContact OE1-NZ 3.96Å; E17-K71 PolarHBondContact OE1-NZ 3.09Å
18I96.4Very high95.4Very high16 Ų1642.9 Ų42.98%0.08222%0.215CC..  trans-86.3129.8175.5-54.8168.6000108.5I13 S14 S16 Y20 S41 G43 I53I13-I18 WeakPolarHBondContact CA-O 3.38Å; S14-I18 PolarHBondContact N-O 3.06Å; S14-I18 VanDerWaalsContact N-O 3.09Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.12Å; I18-Y20 HydrophobicContact CB-CD2 4.46Å; I18-Y20 HydrophobicContact CB-CE2 3.66Å; I18-Y20 HydrophobicContact CG2-CD2 4.21Å; I18-Y20 HydrophobicContact CG2-CE1 4.16Å; I18-Y20 HydrophobicContact CG2-CE2 3.55Å; I18-Y20 WeakPolarHBondContact O-CD2 3.47Å; I18-S41 WeakPolarHBondContact CG2-OG 3.46Å; I18-G43 WeakPolarHBondContact CA-O 3.34Å; I18-I53 HydrophobicContact CD1-CD1 3.48Å; I18-I53 VanDerWaalsContact CD1-CD1 3.48Å; I18-I53 HydrophobicContact CG1-CD1 3.85Å
19R97Very high95.5Very high67 Ų6746.4 Ų46.425%0.25324%0.237SC..EExtended strand (participates in β ladder)trans-87.7127.9172.8179.2161.373.8176.70.5110.5L12 I13 F42 G43 E45 R47L12-R19 WeakPolarHBondContact O-CA 3.22Å; I13-R19 HydrophobicContact CG1-CB 4.41Å; R19-F42 HydrophobicContact CB-CB 4.26Å; R19-F42 HydrophobicContact CG-CB 4.49Å; R19-F42 PolarHBondContact O-N 3.04Å; R19-G43 PolarHBondContact N-O 2.93Å; R19-E45 IonicContact CZ-OE1 2.72Å; R19-E45 IonicContact CZ-OE2 3.7Å; R19-E45 IonicContact NE-OE1 3.48Å; R19-E45 PolarHBondContact NE-OE1 3.31Å; R19-E45 VanDerWaalsContact NE-OE1 3.08Å; R19-E45 IonicContact NE-OE2 3.95Å; R19-E45 PolarHBondContact NE-OE2 3.06Å; R19-E45 IonicContact NH1-OE2 3.36Å; R19-E45 VanDerWaalsContact NH2-CD 3.29Å; R19-E45 IonicContact NH2-OE1 3.96Å; R19-E45 PolarHBondContact NH2-OE1 3.48Å; R19-E45 IonicContact NH2-OE2 2.71Å; R19-E45 PolarHBondContact NH2-OE2 3.34Å; R19-R47 VanDerWaalsContact CB-NH2 3.34Å; R19-R47 VanDerWaalsContact N-NH2 3.19Å
20Y97.5Very high95.6Very high40 Ų4051.7 Ų51.716%0.15726%0.263CS..EExtended strand (participates in β ladder)trans-114.5143.5172-60.4-89.6000109.4S11 L12 I18 V39 R40 I63 F65S11-Y20 WeakPolarHBondContact CA-O 3.42Å; L12-Y20 HydrophobicContact CD2-CD2 4.09Å; L12-Y20 PolarHBondContact N-O 3.43Å; L12-Y20 PolarHBondContact O-N 3.22Å; I18-Y20 HydrophobicContact CB-CD2 4.46Å; I18-Y20 HydrophobicContact CB-CE2 3.66Å; I18-Y20 HydrophobicContact CG2-CD2 4.21Å; I18-Y20 HydrophobicContact CG2-CE1 4.16Å; I18-Y20 HydrophobicContact CG2-CE2 3.55Å; I18-Y20 WeakPolarHBondContact O-CD2 3.47Å; Y20-V39 HydrophobicContact CD1-CG1 4.21Å; Y20-R40 WeakPolarHBondContact CA-O 3.11Å; Y20-I63 HydrophobicContact CD1-CD1 4.36Å; Y20-I63 HydrophobicContact CE1-CD1 4.46Å; Y20-F65 HydrophobicContact CD1-CZ 4.03Å; Y20-F65 AromaticContact CD2-CE1 3.83Å; Y20-F65 HydrophobicContact CD2-CE1 3.83Å; Y20-F65 AromaticContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CE1-CZ 4.46Å; Y20-F65 AromaticContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CZ 4.38Å; Y20-F65 HydrophobicContact CG-CE1 4.13Å; Y20-F65 AromaticContact CG-CZ 3.73Å; Y20-F65 HydrophobicContact CG-CZ 3.73Å
21E96.3Very high95.6Very high19 Ų1958.7 Ų58.79%0.08929%0.294CS..EExtended strand (participates in β ladder)trans-129130.8171.1-157.3-174.2-150.800109.4K9 I10 V39 R40 F42 R76K9-E21 HydrophobicContact CD-CG 4.41Å; K9-E21 VanDerWaalsContact CE-OE1 3.28Å; K9-E21 WeakPolarHBondContact CE-OE1 3.23Å; K9-E21 WeakPolarHBondContact CE-OE2 3.4Å; K9-E21 HydrophobicContact CG-CG 4.4Å; K9-E21 IonicContact NZ-OE1 2.67Å; K9-E21 PolarHBondContact NZ-OE1 3.04Å; K9-E21 IonicContact NZ-OE2 2.91Å; K9-E21 PolarHBondContact NZ-OE2 3.39Å; I10-E21 WeakPolarHBondContact O-CA 3.39Å; E21-V39 CarbonylContact O-C 3.57Å; E21-V39 WeakPolarHBondContact O-CA 3.08Å; E21-R40 PolarHBondContact N-O 3.31Å; E21-R40 PolarHBondContact O-N 2.85Å; E21-F42 HydrophobicContact CB-CD2 4.25Å; E21-F42 HydrophobicContact CB-CE2 3.59Å; E21-F42 HydrophobicContact CB-CZ 4.47Å; E21-R76 WeakPolarHBondContact OE1-CD 3.4Å; E21-R76 IonicContact OE1-CZ 3.37Å; E21-R76 IonicContact OE1-NE 2.73Å; E21-R76 IonicContact OE1-NH1 2.72Å; E21-R76 PolarHBondContact OE1-NH1 3.3Å
22G95.9Very high95.7Very high3 Ų361.7 Ų61.73%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-157.4-169.6-177.300000112.1K9 I10K9-G22 CarbonylContact C-O 3.59Å; K9-G22 WeakPolarHBondContact CA-O 3.35Å; K9-G22 WeakPolarHBondContact CG-O 3.41Å; I10-G22 PolarHBondContact N-O 3.4Å; I10-G22 PolarHBondContact O-N 3.07Å
23I95.5Very high95.6Very high65 Ų6562.5 Ų62.533%0.33332%0.32SS..EExtended strand (participates in β ladder)trans-110.8135.1176.1-61.5174.8000108.1G7 S8 Y25 L36 A37G7-I23 WeakPolarHBondContact O-CG2 3.47Å; S8-I23 WeakPolarHBondContact O-CA 3.32Å; I23-Y25 PolarHBondContact O-N 3.38Å; I23-L36 CarbonylContact O-C 3.6Å; I23-L36 VanDerWaalsContact O-CA 3.29Å; I23-L36 WeakPolarHBondContact O-CA 3.44Å; I23-A37 PolarHBondContact N-O 3.41Å; I23-A37 PolarHBondContact O-N 3.18Å
24L95.4Very high95.6Very high10 Ų1062.4 Ų62.45%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-66.1121177.2-173.757.2000111L5 I6 G7 S8 I10 V27 I34 L36L5-L24 HydrophobicContact CB-CD2 3.89Å; I6-L24 HydrophobicContact CD1-CD2 3.92Å; I6-L24 HydrophobicContact CD1-CG 3.92Å; G7-L24 PolarHBondContact N-O 2.84Å; S8-L24 PolarHBondContact O-N 3.08Å; I10-L24 HydrophobicContact CD1-CB 3.72Å; I10-L24 HydrophobicContact CD1-CD1 3.97Å; I10-L24 HydrophobicContact CD1-CD2 4Å; I10-L24 HydrophobicContact CD1-CG 4.1Å; I10-L24 HydrophobicContact CG1-CB 4.36Å; L24-V27 HydrophobicContact CD1-CG2 3.77Å; L24-V27 HydrophobicContact CD2-CG2 3.94Å; L24-V27 HydrophobicContact CG-CG2 4.31Å; L24-I34 HydrophobicContact CD1-CG2 3.54Å; L24-L36 HydrophobicContact CB-CD2 4.44Å; L24-L36 HydrophobicContact CD1-CD2 3.94Å
25Y94.8Very high95.5Very high124 Ų12462.1 Ų62.149%0.48632%0.318SS..EExtended strand (participates in β ladder)trans-99.7-60.3179.4-176.5-111.7000111.6I6 I23 A35 Y62I6-Y25 VanDerWaalsContact CG1-O 3.25Å; I6-Y25 WeakPolarHBondContact CG1-O 3.24Å; I23-Y25 PolarHBondContact O-N 3.38Å; Y25-A35 WeakPolarHBondContact CB-O 3.49Å; Y25-A35 HydrophobicContact CD1-CB 4.25Å; Y25-A35 PolarHBondContact N-O 2.93Å; Y25-Y62 HydrophobicContact CD1-CD1 4.1Å; Y25-Y62 AromaticContact CD1-CE1 3.71Å; Y25-Y62 HydrophobicContact CD1-CE1 3.71Å; Y25-Y62 AromaticContact CD2-CE1 3.72Å; Y25-Y62 HydrophobicContact CD2-CE1 3.72Å; Y25-Y62 AromaticContact CE1-CE1 3.91Å; Y25-Y62 HydrophobicContact CE1-CE1 3.91Å; Y25-Y62 AromaticContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CG-CD1 4.19Å; Y25-Y62 AromaticContact CG-CE1 3.62Å; Y25-Y62 HydrophobicContact CG-CE1 3.62Å
26T94.3Very high95.6Very high49 Ų4956.3 Ų56.330%0.30129%0.292SS..EExtended strand (participates in β ladder)trans-141.5159175.559.10000111.2A35T26-A35 PolarHBondContact N-O 3.47Å; T26-A35 PolarHBondContact O-N 3.28Å; T26-A35 WeakPolarHBondContact OG1-CB 3.35Å
27V94Very high95.7Very high75 Ų7553.6 Ų53.646%0.45527%0.274SS..EExtended strand (participates in β ladder)trans-131118.8169.9179.50000107L24 P29 I34L24-V27 HydrophobicContact CD1-CG2 3.77Å; L24-V27 HydrophobicContact CD2-CG2 3.94Å; L24-V27 HydrophobicContact CG-CG2 4.31Å; V27-P29 WeakPolarHBondContact O-CD 3.46Å; V27-I34 HydrophobicContact CG1-CG1 4.29Å; V27-I34 HydrophobicContact CG2-CG1 4.35Å
28D94.5Very high95.8Very high58 Ų5859 Ų5931%0.3130%0.298SS..EExtended strand (participates in β ladder)trans-103.8100.4178.2-50.2-31.3000107.9E30 K31 S32 T33D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 3.05Å; D28-K31 HydrophobicContact CB-CB 4.25Å; D28-S32 WeakPolarHBondContact O-CA 3.48Å; D28-S32 PolarHBondContact O-N 3.1Å; D28-T33 PolarHBondContact N-O 2.77Å; D28-T33 PolarHBondContact O-N 2.91Å; D28-T33 VanDerWaalsContact O-N 3.07Å; D28-T33 PolarHBondContact OD2-OG1 3.41Å
29P94.1Very high95.8Very high106 Ų10658.3 Ų58.369%0.68829%0.294SS*.THydrogen-bonded Turntrans-65.2-37.9-176.625.2-33.2000112V27 K31 S32V27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-K31 PolarHBondContact O-N 3.02Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 VanDerWaalsContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.34Å
30E96.1Very high95.8Very high184 Ų18460.1 Ų60.186%0.8630%0.301SS*.THydrogen-bonded Turntrans-59.8-45.7-179.4-59.2179.2167.100112.7D28 S32D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 3.05Å; E30-S32 VanDerWaalsContact C-N 3.29Å
31K95.5Very high95.8Very high151 Ų15158.5 Ų58.566%0.65730%0.295SS*.THydrogen-bonded Turntrans-84.7-7.4178.3-66.6170.2-173.1164.40112.4D28 P29 T33D28-K31 HydrophobicContact CB-CB 4.25Å; P29-K31 PolarHBondContact O-N 3.02Å; K31-T33 VanDerWaalsContact C-N 3.27Å; K31-T33 HydrophobicContact CB-CG2 4.34Å; K31-T33 WeakPolarHBondContact CB-OG1 3.2Å; K31-T33 PolarHBondContact O-N 2.95Å
32S96.1Very high95.8Very high67 Ų6760 Ų6047%0.46930%0.301SS..THydrogen-bonded Turntrans49.848-169.6-66.30000111.8D28 P29 E30 A67D28-S32 WeakPolarHBondContact O-CA 3.48Å; D28-S32 PolarHBondContact O-N 3.1Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 VanDerWaalsContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.34Å; E30-S32 VanDerWaalsContact C-N 3.29Å; S32-A67 VanDerWaalsContact O-CB 3.3Å; S32-A67 WeakPolarHBondContact O-CB 3.4Å; S32-A67 PolarHBondContact O-N 3.23Å
33T96Very high95.7Very high17 Ų1759.9 Ų59.910%0.10430%0.3CS..EExtended strand (participates in β ladder)trans-121.6147.1-178.841.90000112.8D28 K31 I64 F65 K66D28-T33 PolarHBondContact N-O 2.77Å; D28-T33 PolarHBondContact O-N 2.91Å; D28-T33 VanDerWaalsContact O-N 3.07Å; D28-T33 PolarHBondContact OD2-OG1 3.41Å; K31-T33 VanDerWaalsContact C-N 3.27Å; K31-T33 HydrophobicContact CB-CG2 4.34Å; K31-T33 WeakPolarHBondContact CB-OG1 3.2Å; K31-T33 PolarHBondContact O-N 2.95Å; T33-I64 HydrophobicContact CG2-CG2 4.07Å; T33-F65 CarbonylContact C-O 3.51Å; T33-F65 VanDerWaalsContact CA-O 3.31Å; T33-F65 WeakPolarHBondContact CA-O 3.28Å; T33-K66 HydrophobicContact CG2-CG 4.12Å
34I95.5Very high95.6Very high24 Ų2456.8 Ų56.812%0.12328%0.284CS..EExtended strand (participates in β ladder)trans-124.5124.7176.2-62.3179.3000108.3L24 V27 L36 F65 I70 L73L24-I34 HydrophobicContact CD1-CG2 3.54Å; V27-I34 HydrophobicContact CG1-CG1 4.29Å; V27-I34 HydrophobicContact CG2-CG1 4.35Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.48Å; I34-F65 PolarHBondContact N-O 3.07Å; I34-F65 PolarHBondContact O-N 3.04Å; I34-I70 HydrophobicContact CD1-CD1 4.11Å; I34-L73 HydrophobicContact CD1-CD1 3.69Å
35A96.1Very high95.4Very high8 Ų859.2 Ų59.27%0.06630%0.295CS..EExtended strand (participates in β ladder)trans-98.2125.8172.500000110.3Y25 T26 I64Y25-A35 WeakPolarHBondContact CB-O 3.49Å; Y25-A35 HydrophobicContact CD1-CB 4.25Å; Y25-A35 PolarHBondContact N-O 2.93Å; T26-A35 PolarHBondContact N-O 3.47Å; T26-A35 PolarHBondContact O-N 3.28Å; T26-A35 WeakPolarHBondContact OG1-CB 3.35Å; A35-I64 HydrophobicContact CB-CG1 4.27Å
36L97Very high95.2Very high0 Ų061.4 Ų61.40%032%0.315CS..EExtended strand (participates in β ladder)trans-107.6138.3170.7-59.8-174.6000110I10 L12 I23 L24 I34 V39 Y62 I63 F65I10-L36 HydrophobicContact CB-CD2 4.14Å; I10-L36 HydrophobicContact CD1-CD2 4.13Å; I10-L36 HydrophobicContact CG2-CD1 4.39Å; I10-L36 HydrophobicContact CG2-CD2 4.46Å; L12-L36 HydrophobicContact CB-CD1 4.35Å; L12-L36 HydrophobicContact CD1-CD1 4.19Å; I23-L36 CarbonylContact O-C 3.6Å; I23-L36 VanDerWaalsContact O-CA 3.29Å; I23-L36 WeakPolarHBondContact O-CA 3.44Å; L24-L36 HydrophobicContact CB-CD2 4.44Å; L24-L36 HydrophobicContact CD1-CD2 3.94Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.48Å; L36-V39 VanDerWaalsContact C-CG2 3.5Å; L36-V39 HydrophobicContact CB-CG2 3.52Å; L36-V39 WeakPolarHBondContact O-CG2 3.44Å; L36-Y62 CarbonylContact O-C 3.5Å; L36-Y62 WeakPolarHBondContact O-CA 3.25Å; L36-I63 PolarHBondContact N-O 3.42Å; L36-I63 PolarHBondContact O-N 3.11Å; L36-F65 HydrophobicContact CB-CE2 4.47Å; L36-F65 HydrophobicContact CD1-CD2 4.36Å; L36-F65 HydrophobicContact CD1-CE2 3.96Å; L36-F65 HydrophobicContact CG-CD2 4.35Å; L36-F65 HydrophobicContact CG-CE2 4.24Å
37A96.8Very high95.1Very high13 Ų1361.9 Ų61.911%0.10731%0.312CS..EExtended strand (participates in β ladder)trans-98.3153.1173.200000112I23 V39 E61 Y62I23-A37 PolarHBondContact N-O 3.41Å; I23-A37 PolarHBondContact O-N 3.18Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.1Å; A37-E61 CarbonylContact C-O 3.55Å; A37-E61 VanDerWaalsContact CA-O 3.24Å; A37-E61 WeakPolarHBondContact CA-O 3.05Å; A37-Y62 HydrophobicContact CB-CD1 4Å; A37-Y62 HydrophobicContact CB-CE1 3.73Å
38K96.4Very high94.8Very high144 Ų14469.9 Ų69.963%0.62633%0.334SS*.EExtended strand (participates in β ladder)trans52.247.3176.3-62.4176.9-179170.10112.7V59 Y60 E61K38-V59 HydrophobicContact CB-CG1 4.16Å; K38-Y60 CarbonylContact C-O 3.57Å; K38-Y60 WeakPolarHBondContact CA-O 3.39Å; K38-Y60 PolarHBondContact N-O 2.86Å; K38-E61 PolarHBondContact N-O 3.47Å
39V97.4Very high94.5Very high0 Ų068.8 Ų68.80%033%0.329CS..EExtended strand (participates in β ladder)trans-83136.2-167.8-1640000111.7Y20 E21 L36 A37 V59 Y60 I63Y20-V39 HydrophobicContact CD1-CG1 4.21Å; E21-V39 CarbonylContact O-C 3.57Å; E21-V39 WeakPolarHBondContact O-CA 3.08Å; L36-V39 VanDerWaalsContact C-CG2 3.5Å; L36-V39 HydrophobicContact CB-CG2 3.52Å; L36-V39 WeakPolarHBondContact O-CG2 3.44Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.1Å; V39-V59 CarbonylContact O-C 3.49Å; V39-V59 WeakPolarHBondContact O-CA 3.39Å; V39-Y60 PolarHBondContact N-O 2.67Å; V39-Y60 PolarHBondContact O-N 2.94Å; V39-I63 HydrophobicContact CB-CD1 3.8Å; V39-I63 HydrophobicContact CB-CG1 3.97Å; V39-I63 HydrophobicContact CG1-CD1 3.81Å; V39-I63 HydrophobicContact CG1-CG1 4.36Å; V39-I63 HydrophobicContact CG2-CB 4.12Å; V39-I63 HydrophobicContact CG2-CD1 4.32Å; V39-I63 HydrophobicContact CG2-CG1 3.97Å
40R97.3Very high94.2Very high106 Ų10672 Ų7240%0.434%0.341SS..EExtended strand (participates in β ladder)trans-118.8136.8173.7-66.7-177.363.7-150.2-10.3110.8Y20 E21 F42 V59Y20-R40 WeakPolarHBondContact CA-O 3.11Å; E21-R40 PolarHBondContact N-O 3.31Å; E21-R40 PolarHBondContact O-N 2.85Å; R40-F42 HydrophobicContact CB-CE2 4.2Å; R40-V59 HydrophobicContact CG-CB 4.36Å; R40-V59 HydrophobicContact CG-CG1 4.24Å; R40-V59 HydrophobicContact CG-CG2 3.87Å
41S96.6Very high93.9Very high6 Ų670.2 Ų70.24%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-94.6123.8173.6-179.90000110.8I18 R56I18-S41 WeakPolarHBondContact CG2-OG 3.46Å; S41-R56 PolarHBondContact O-N 2.94Å
42F95.9Very high93.8Very high50 Ų5068.7 Ų68.722%0.21934%0.335CS..EExtended strand (participates in β ladder)trans-93.1-2.6176.7-73.1-102.1000112.9R19 E21 R40 E45 P55R19-F42 HydrophobicContact CB-CB 4.26Å; R19-F42 HydrophobicContact CG-CB 4.49Å; R19-F42 PolarHBondContact O-N 3.04Å; E21-F42 HydrophobicContact CB-CD2 4.25Å; E21-F42 HydrophobicContact CB-CE2 3.59Å; E21-F42 HydrophobicContact CB-CZ 4.47Å; R40-F42 HydrophobicContact CB-CE2 4.2Å; F42-E45 HydrophobicContact CB-CG 4.37Å; F42-E45 WeakPolarHBondContact CB-OE1 3.43Å; F42-P55 WeakPolarHBondContact O-CA 3.44Å; F42-P55 WeakPolarHBondContact O-CB 3.44Å
43G95.2Very high93.7Very high0 Ų067.6 Ų67.60%032%0.324CS..EExtended strand (participates in β ladder)trans78.9-163.1-177.800000113.4I18 R19 E45 R47 I53I18-G43 WeakPolarHBondContact CA-O 3.34Å; R19-G43 PolarHBondContact N-O 2.93Å; G43-E45 VanDerWaalsContact C-N 3.34Å; G43-R47 PolarHBondContact O-NH2 3.48Å; G43-I53 CarbonylContact C-O 3.55Å; G43-I53 WeakPolarHBondContact CA-O 3.27Å
44S93.3Very high93.6Very high1 Ų171.2 Ų71.21%0.00735%0.348CS..SBendtrans-76.6-21.6178.558.30000112.9D46 R47 I53S44-D46 PolarHBondContact O-N 3.12Å; S44-R47 VanDerWaalsContact C-NH2 3.34Å; S44-R47 WeakPolarHBondContact O-CB 3.38Å; S44-R47 PolarHBondContact O-N 3.3Å; S44-R47 VanDerWaalsContact O-N 3.15Å; S44-R47 PolarHBondContact O-NE 3.39Å; S44-R47 PolarHBondContact O-NH2 3.29Å; S44-I53 PolarHBondContact N-O 3.13Å; S44-I53 PolarHBondContact OG-N 3.43Å; S44-I53 PolarHBondContact OG-O 3.14Å
45E91Very high93.6Very high60 Ų6074.6 Ų74.628%0.2837%0.371SS..THydrogen-bonded Turntrans52.4-129.9-175.9-55.9174.2139.300109.9R19 F42 G43 R47R19-E45 IonicContact CZ-OE1 2.72Å; R19-E45 IonicContact CZ-OE2 3.7Å; R19-E45 IonicContact NE-OE1 3.48Å; R19-E45 PolarHBondContact NE-OE1 3.31Å; R19-E45 VanDerWaalsContact NE-OE1 3.08Å; R19-E45 IonicContact NE-OE2 3.95Å; R19-E45 PolarHBondContact NE-OE2 3.06Å; R19-E45 IonicContact NH1-OE2 3.36Å; R19-E45 VanDerWaalsContact NH2-CD 3.29Å; R19-E45 IonicContact NH2-OE1 3.96Å; R19-E45 PolarHBondContact NH2-OE1 3.48Å; R19-E45 IonicContact NH2-OE2 2.71Å; R19-E45 PolarHBondContact NH2-OE2 3.34Å; F42-E45 HydrophobicContact CB-CG 4.37Å; F42-E45 WeakPolarHBondContact CB-OE1 3.43Å; G43-E45 VanDerWaalsContact C-N 3.34Å; E45-R47 IonicContact OE2-CZ 2.63Å; E45-R47 IonicContact OE2-NH1 3.2Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 IonicContact OE2-NH2 2.72Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
46D90.2Very high93.6Very high170 Ų17080.3 Ų80.391%0.90939%0.391SS*.THydrogen-bonded Turntrans-93.318.1-179.6-51.1-61000113.8S44S44-D46 PolarHBondContact O-N 3.12Å
47R92.3Very high93.5Very high59 Ų5989.9 Ų89.922%0.22343%0.432CS..SBendtrans-83.2155.6179.9-64.7179.7-71.1-78.5-9.6112E17 R19 G43 S44 E45 T49E17-R47 HydrophobicContact CB-CB 4.06Å; E17-R47 VanDerWaalsContact O-CZ 3.23Å; E17-R47 PolarHBondContact O-NE 2.97Å; E17-R47 PolarHBondContact O-NH2 3.5Å; E17-R47 WeakPolarHBondContact OE2-CB 3.47Å; R19-R47 VanDerWaalsContact CB-NH2 3.34Å; R19-R47 VanDerWaalsContact N-NH2 3.19Å; G43-R47 PolarHBondContact O-NH2 3.48Å; S44-R47 VanDerWaalsContact C-NH2 3.34Å; S44-R47 WeakPolarHBondContact O-CB 3.38Å; S44-R47 PolarHBondContact O-N 3.3Å; S44-R47 VanDerWaalsContact O-N 3.15Å; S44-R47 PolarHBondContact O-NE 3.39Å; S44-R47 PolarHBondContact O-NH2 3.29Å; E45-R47 IonicContact OE2-CZ 2.63Å; E45-R47 IonicContact OE2-NH1 3.2Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 IonicContact OE2-NH2 2.72Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å; R47-T49 PolarHBondContact O-N 2.87Å; R47-T49 VanDerWaalsContact O-N 3.17Å
48R88.6Confident93.4Very high244 Ų24494.7 Ų94.792%0.92145%0.453SS*.  trans-89.777.2-170.7-72.3-173.1-180171.60.4111.3E17E17-R48 PolarHBondContact OE2-N 3.05Å; E17-R48 VanDerWaalsContact OE2-O 3.12Å
49T87.4Confident93.4Very high35 Ų3591.9 Ų91.922%0.21545%0.448CS..  trans-109.4144.8-178.4-32.60000110.7E17 R47 E51E17-T49 HydrophobicContact CB-CG2 4.44Å; E17-T49 WeakPolarHBondContact CB-OG1 3.41Å; E17-T49 PolarHBondContact OE2-N 2.92Å; E17-T49 PolarHBondContact OE2-OG1 2.9Å; R47-T49 PolarHBondContact O-N 2.87Å; R47-T49 VanDerWaalsContact O-N 3.17Å; T49-E51 PolarHBondContact O-N 3.14Å
50D88.5Confident93.4Very high174 Ų17495 Ų9593%0.9346%0.46SS*.SBendtrans-62.4-33.4174.8-58.4-52.9000111.9
51E89.1Confident93.4Very high146 Ų14696.9 Ų96.968%0.68247%0.473SS*.SBendtrans-113.5112.7175.9-64.3-172.7174.500110.9T49 I53T49-E51 PolarHBondContact O-N 3.14Å; E51-I53 PolarHBondContact O-N 2.94Å
52V92.4Very high93.4Very high119 Ų119101.9 Ų101.972%0.72149%0.492SS*.  trans-80.9116.8176.9178.50000109.9
53I94.4Very high93.5Very high44 Ų44101.3 Ų101.323%0.22649%0.491CS..  trans-106.9125.8-176-65.6170.3000109.5I18 G43 S44 E51I18-I53 HydrophobicContact CD1-CD1 3.48Å; I18-I53 VanDerWaalsContact CD1-CD1 3.48Å; I18-I53 HydrophobicContact CG1-CD1 3.85Å; G43-I53 CarbonylContact C-O 3.55Å; G43-I53 WeakPolarHBondContact CA-O 3.27Å; S44-I53 PolarHBondContact N-O 3.13Å; S44-I53 PolarHBondContact OG-N 3.43Å; S44-I53 PolarHBondContact OG-O 3.14Å; E51-I53 PolarHBondContact O-N 2.94Å
54P94.8Very high93.6Very high93 Ų93106.9 Ų106.960%0.60452%0.519SS*.PPolyproline II helixtrans-77156.4179.431.2-35.5000112.8R56P54-R56 PolarHBondContact O-N 3.21Å
55P95.5Very high93.8Very high94 Ų94108 Ų10861%0.6152%0.524SS*.PPolyproline II helixtrans-63.2132.5175.125.2-34.3000111.9F42F42-P55 WeakPolarHBondContact O-CA 3.44Å; F42-P55 WeakPolarHBondContact O-CB 3.44Å
56R95.8Very high94.1Very high129 Ų129111.2 Ų111.249%0.48754%0.537SS..PPolyproline II helixtrans-90.6147.7176.3-63.9-171-178.7-177.2-0.7111.1S41 P54 Y60S41-R56 PolarHBondContact O-N 2.94Å; P54-R56 PolarHBondContact O-N 3.21Å; R56-Y60 WeakPolarHBondContact CD-OH 3.47Å; R56-Y60 PolarHBondContact NH1-OH 2.84Å
57K94Very high94.4Very high200 Ų200105.4 Ų105.487%0.8751%0.513SS*.  trans-87.6-21.6175.3-67.4-179.1-177.5173.60112.9
58E95.5Very high94.6Very high114 Ų114107 Ų10753%0.53353%0.529SS..  trans-59.1144.3176.5-72155.5-149.400111.5Y60E58-Y60 HydrophobicContact CB-CE1 4.4Å; E58-Y60 HydrophobicContact CB-CE2 4.44Å; E58-Y60 PolarHBondContact OE2-OH 2.99Å
59V96.8Very high95Very high86 Ų8698.7 Ų98.752%0.52150%0.503SS..EExtended strand (participates in β ladder)trans-113.3115.2169.6-172.80000106K38 V39 R40K38-V59 HydrophobicContact CB-CG1 4.16Å; V39-V59 CarbonylContact O-C 3.49Å; V39-V59 WeakPolarHBondContact O-CA 3.39Å; R40-V59 HydrophobicContact CG-CB 4.36Å; R40-V59 HydrophobicContact CG-CG1 4.24Å; R40-V59 HydrophobicContact CG-CG2 3.87Å
60Y97.4Very high95.5Very high64 Ų6498.6 Ų98.625%0.25150%0.501SS..EExtended strand (participates in β ladder)trans-81.3134.7175.2-57.3-73.9000108.7K38 V39 R56 E58 I63K38-Y60 CarbonylContact C-O 3.57Å; K38-Y60 WeakPolarHBondContact CA-O 3.39Å; K38-Y60 PolarHBondContact N-O 2.86Å; V39-Y60 PolarHBondContact N-O 2.67Å; V39-Y60 PolarHBondContact O-N 2.94Å; R56-Y60 WeakPolarHBondContact CD-OH 3.47Å; R56-Y60 PolarHBondContact NH1-OH 2.84Å; E58-Y60 HydrophobicContact CB-CE1 4.4Å; E58-Y60 HydrophobicContact CB-CE2 4.44Å; E58-Y60 PolarHBondContact OE2-OH 2.99Å; Y60-I63 HydrophobicContact CD2-CD1 3.75Å; Y60-I63 HydrophobicContact CG-CD1 3.99Å; Y60-I63 HydrophobicContact CG-CG1 4.33Å
61E97Very high95.8Very high146 Ų14696.2 Ų96.268%0.68248%0.482SS*.EExtended strand (participates in β ladder)trans-64-48.6-176.2-165.6-178.8170.700111.1A37 K38A37-E61 CarbonylContact C-O 3.55Å; A37-E61 VanDerWaalsContact CA-O 3.24Å; A37-E61 WeakPolarHBondContact CA-O 3.05Å; K38-E61 PolarHBondContact N-O 3.47Å
62Y96.6Very high96.1Very high111 Ų11192.5 Ų92.544%0.43547%0.467SS..EExtended strand (participates in β ladder)trans-135.4145.3171.9-64.8-78.9000111Y25 L36 A37Y25-Y62 HydrophobicContact CD1-CD1 4.1Å; Y25-Y62 AromaticContact CD1-CE1 3.71Å; Y25-Y62 HydrophobicContact CD1-CE1 3.71Å; Y25-Y62 AromaticContact CD2-CE1 3.72Å; Y25-Y62 HydrophobicContact CD2-CE1 3.72Å; Y25-Y62 AromaticContact CE1-CE1 3.91Å; Y25-Y62 HydrophobicContact CE1-CE1 3.91Å; Y25-Y62 AromaticContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CG-CD1 4.19Å; Y25-Y62 AromaticContact CG-CE1 3.62Å; Y25-Y62 HydrophobicContact CG-CE1 3.62Å; L36-Y62 CarbonylContact O-C 3.5Å; L36-Y62 WeakPolarHBondContact O-CA 3.25Å; A37-Y62 HydrophobicContact CB-CD1 4Å; A37-Y62 HydrophobicContact CB-CE1 3.73Å
63I97.4Very high96.2Very high38 Ų3889.8 Ų89.820%0.19545%0.448CS..EExtended strand (participates in β ladder)trans-134.6132.2163.3-54.1-176000108.4Y20 L36 V39 Y60 F65Y20-I63 HydrophobicContact CD1-CD1 4.36Å; Y20-I63 HydrophobicContact CE1-CD1 4.46Å; L36-I63 PolarHBondContact N-O 3.42Å; L36-I63 PolarHBondContact O-N 3.11Å; V39-I63 HydrophobicContact CB-CD1 3.8Å; V39-I63 HydrophobicContact CB-CG1 3.97Å; V39-I63 HydrophobicContact CG1-CD1 3.81Å; V39-I63 HydrophobicContact CG1-CG1 4.36Å; V39-I63 HydrophobicContact CG2-CB 4.12Å; V39-I63 HydrophobicContact CG2-CD1 4.32Å; V39-I63 HydrophobicContact CG2-CG1 3.97Å; Y60-I63 HydrophobicContact CD2-CD1 3.75Å; Y60-I63 HydrophobicContact CG-CD1 3.99Å; Y60-I63 HydrophobicContact CG-CG1 4.33Å; I63-F65 HydrophobicContact CB-CE2 3.78Å; I63-F65 HydrophobicContact CB-CZ 4.08Å; I63-F65 HydrophobicContact CD1-CZ 4.48Å; I63-F65 HydrophobicContact CG2-CD2 4.09Å; I63-F65 HydrophobicContact CG2-CE1 4.05Å; I63-F65 HydrophobicContact CG2-CE2 3.53Å; I63-F65 HydrophobicContact CG2-CZ 3.51Å
64I97.1Very high96.2Very high118 Ų11892.1 Ų92.161%0.60546%0.46SS*.EExtended strand (participates in β ladder)trans-101.7124.7175.9-55.2173.5000108.5T33 A35T33-I64 HydrophobicContact CG2-CG2 4.07Å; A35-I64 HydrophobicContact CB-CG1 4.27Å
65F97.6Very high96Very high23 Ų2390.5 Ų90.510%0.10145%0.449CS..EExtended strand (participates in β ladder)trans-109.6135.7176.8-62.8-88.6000109.9L12 Y20 T33 I34 L36 I63 I70L12-F65 HydrophobicContact CD1-CB 4.16Å; L12-F65 HydrophobicContact CD1-CD1 4.21Å; L12-F65 HydrophobicContact CD1-CD2 3.79Å; L12-F65 HydrophobicContact CD1-CE2 4.21Å; L12-F65 HydrophobicContact CD1-CG 3.79Å; L12-F65 HydrophobicContact CD2-CD1 3.82Å; L12-F65 HydrophobicContact CD2-CE1 3.78Å; L12-F65 HydrophobicContact CD2-CG 4.26Å; L12-F65 HydrophobicContact CD2-CZ 4.18Å; Y20-F65 HydrophobicContact CD1-CZ 4.03Å; Y20-F65 AromaticContact CD2-CE1 3.83Å; Y20-F65 HydrophobicContact CD2-CE1 3.83Å; Y20-F65 AromaticContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CE1-CZ 4.46Å; Y20-F65 AromaticContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CZ 4.38Å; Y20-F65 HydrophobicContact CG-CE1 4.13Å; Y20-F65 AromaticContact CG-CZ 3.73Å; Y20-F65 HydrophobicContact CG-CZ 3.73Å; T33-F65 CarbonylContact C-O 3.51Å; T33-F65 VanDerWaalsContact CA-O 3.31Å; T33-F65 WeakPolarHBondContact CA-O 3.28Å; I34-F65 PolarHBondContact N-O 3.07Å; I34-F65 PolarHBondContact O-N 3.04Å; L36-F65 HydrophobicContact CB-CE2 4.47Å; L36-F65 HydrophobicContact CD1-CD2 4.36Å; L36-F65 HydrophobicContact CD1-CE2 3.96Å; L36-F65 HydrophobicContact CG-CD2 4.35Å; L36-F65 HydrophobicContact CG-CE2 4.24Å; I63-F65 HydrophobicContact CB-CE2 3.78Å; I63-F65 HydrophobicContact CB-CZ 4.08Å; I63-F65 HydrophobicContact CD1-CZ 4.48Å; I63-F65 HydrophobicContact CG2-CD2 4.09Å; I63-F65 HydrophobicContact CG2-CE1 4.05Å; I63-F65 HydrophobicContact CG2-CE2 3.53Å; I63-F65 HydrophobicContact CG2-CZ 3.51Å; F65-I70 HydrophobicContact CB-CD1 4.12Å; F65-I70 HydrophobicContact CB-CG1 4.26Å
66K97.7Very high95.6Very high129 Ų12991.1 Ų91.156%0.56144%0.439SS*.EExtended strand (participates in β ladder)trans-79.3134.4166.4-63.7-179.5179.5-178.50109T33 T68 D69T33-K66 HydrophobicContact CG2-CG 4.12Å; K66-T68 WeakPolarHBondContact CB-OG1 3.45Å; K66-T68 PolarHBondContact O-N 2.79Å; K66-T68 VanDerWaalsContact O-N 3.14Å; K66-D69 PolarHBondContact O-N 2.89Å
67A96Very high94.6Very high48 Ų4893.3 Ų93.340%0.39746%0.455SS..G310 helixtrans-56.4-31.717800000112.1S32 D69 I70S32-A67 VanDerWaalsContact O-CB 3.3Å; S32-A67 WeakPolarHBondContact O-CB 3.4Å; S32-A67 PolarHBondContact O-N 3.23Å; A67-D69 PolarHBondContact O-N 3.06Å; A67-I70 PolarHBondContact O-N 3.36Å
68T97.4Very high93.3Very high93 Ų9388.3 Ų88.357%0.57144%0.441SS*.G310 helixtrans-57.4-27.3174.952.40000114K15 K66K15-T68 WeakPolarHBondContact CE-O 3.14Å; K15-T68 PolarHBondContact NZ-O 2.9Å; K66-T68 WeakPolarHBondContact CB-OG1 3.45Å; K66-T68 PolarHBondContact O-N 2.79Å; K66-T68 VanDerWaalsContact O-N 3.14Å
69D97.3Very high91.8Very high68 Ų6888.5 Ų88.536%0.36445%0.452SS..G310 helixtrans-108.95.9-171.7-58.1-41.2000113.7S14 K15 K66 A67S14-D69 CarbonylContact C-O 3.48Å; S14-D69 WeakPolarHBondContact CA-O 3.42Å; K15-D69 HydrophobicContact CD-CB 4.38Å; K15-D69 PolarHBondContact N-O 2.95Å; K15-D69 IonicContact NZ-OD1 2.73Å; K15-D69 PolarHBondContact NZ-OD1 3.5Å; K66-D69 PolarHBondContact O-N 2.89Å; A67-D69 PolarHBondContact O-N 3.06Å
70I96.9Very high90Very high33 Ų3392.8 Ų92.817%0.16947%0.466CS..EExtended strand (participates in β ladder)trans-88.4129.5172.4-59.2175.7000108.6L12 I34 F65 A67 D72 L73L12-I70 HydrophobicContact CD1-CD1 3.71Å; L12-I70 HydrophobicContact CD1-CG1 3.99Å; L12-I70 HydrophobicContact CD2-CG1 4.4Å; L12-I70 HydrophobicContact CG-CD1 4.44Å; L12-I70 HydrophobicContact CG-CG1 4.3Å; L12-I70 HydrophobicContact CG-CG2 4.18Å; I34-I70 HydrophobicContact CD1-CD1 4.11Å; F65-I70 HydrophobicContact CB-CD1 4.12Å; F65-I70 HydrophobicContact CB-CG1 4.26Å; A67-I70 PolarHBondContact O-N 3.36Å; I70-D72 WeakPolarHBondContact CG2-O 3.42Å; I70-L73 HydrophobicContact CG2-CB 4.22Å
71K95.8Very high88.2Confident124 Ų12494.1 Ų94.154%0.53948%0.483SS..EExtended strand (participates in β ladder)trans-94-37.7175.7-177.7173.9-179.51670111.6I13 E17I13-K71 PolarHBondContact O-N 3.36Å; E17-K71 IonicContact OE1-NZ 3.96Å; E17-K71 PolarHBondContact OE1-NZ 3.09Å
72D94.7Very high86.3Confident68 Ų6891 Ų9136%0.36448%0.482SS..EExtended strand (participates in β ladder)trans-153.2148.8178.4-17522000110.3I13 I70I13-D72 HydrophobicContact CB-CB 4.27Å; I13-D72 HydrophobicContact CD1-CB 4.45Å; I13-D72 PolarHBondContact N-O 3.46Å; I13-D72 PolarHBondContact O-N 3.12Å; I70-D72 WeakPolarHBondContact CG2-O 3.42Å
73L94.4Very high84.2Confident62 Ų6289.2 Ų89.233%0.32548%0.484SS..EExtended strand (participates in β ladder)trans-142113.1179.4-171.7160.4000109.4I10 I34 I70 V75I10-L73 HydrophobicContact CD1-CD2 4.29Å; I10-L73 HydrophobicContact CG2-CD1 4.42Å; I10-L73 HydrophobicContact CG2-CD2 3.97Å; I10-L73 HydrophobicContact CG2-CG 3.83Å; I34-L73 HydrophobicContact CD1-CD1 3.69Å; I70-L73 HydrophobicContact CG2-CB 4.22Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å
74L93.7Very high81.9Confident93 Ų9394.2 Ų94.249%0.48751%0.505SS..EExtended strand (participates in β ladder)trans-114.3118.1179.2-61.7174.3000109.9S11 R76S11-L74 PolarHBondContact N-O 2.97Å; S11-L74 PolarHBondContact O-N 2.97Å; L74-R76 PolarHBondContact O-N 3.18Å
75V92.1Very high79.3Confident59 Ų5994 Ų9436%0.35850%0.503SS..EExtended strand (participates in β ladder)trans-69.9121.6166.7-179.10000107.9L5 L73L5-V75 HydrophobicContact CD1-CG2 3.81Å; L5-V75 HydrophobicContact CD2-CG1 3.95Å; L5-V75 HydrophobicContact CD2-CG2 4.04Å; L5-V75 HydrophobicContact CG-CG2 4.48Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å
76R86.8Confident77Confident107 Ų107100.7 Ų100.740%0.40453%0.529SS..EExtended strand (participates in β ladder)trans-95.6105.4165.2-74.2-176.9167178.9-5.2107.3K9 E21 L74 T78K9-R76 HydrophobicContact CB-CB 4.25Å; K9-R76 WeakPolarHBondContact CB-O 3.36Å; K9-R76 CarbonylContact O-C 3.56Å; K9-R76 WeakPolarHBondContact O-CA 3.32Å; K9-R76 PolarHBondContact O-N 2.93Å; K9-R76 VanDerWaalsContact O-O 3.04Å; E21-R76 WeakPolarHBondContact OE1-CD 3.4Å; E21-R76 IonicContact OE1-CZ 3.37Å; E21-R76 IonicContact OE1-NE 2.73Å; E21-R76 IonicContact OE1-NH1 2.72Å; E21-R76 PolarHBondContact OE1-NH1 3.3Å; L74-R76 PolarHBondContact O-N 3.18Å; R76-T78 PolarHBondContact O-N 2.95Å; R76-T78 VanDerWaalsContact O-N 3.14Å
77E74.4Confident74.9Confident176 Ų17699.2 Ų99.282%0.82253%0.527SS*.PPolyproline II helixtrans-52.6123.5162.1-65.7180-176.300108
78T67Low73.3Confident94 Ų94103.8 Ų103.858%0.57755%0.545SS*.PPolyproline II helixtrans-57.9126.3164.747.70000106.4K9 R76 Q80K9-T78 HydrophobicContact CB-CG2 4.45Å; R76-T78 PolarHBondContact O-N 2.95Å; R76-T78 VanDerWaalsContact O-N 3.14Å; T78-Q80 PolarHBondContact O-N 2.8Å
79P63.3Low71.7Confident119 Ų119103 Ų10377%0.77354%0.536SS*.PPolyproline II helixtrans-54.8120.5176.423.5-32.8000107.1
80Q59.7Low70.4Confident175 Ų175107.7 Ų107.782%0.81856%0.556SS**PPolyproline II helixtrans-50.3136.5172.5-71.6-168.65.500107T78 A82T78-Q80 PolarHBondContact O-N 2.8Å; Q80-A82 PolarHBondContact O-N 3.14Å
81P58.7Low69.2Low92 Ų92115 Ų11560%0.59758%0.583SS**  trans-53.8114.7178.523.1-32.6000107P83 F84P81-P83 VanDerWaalsContact O-N 3.09Å; P81-F84 HydrophobicContact CB-CE2 4.04Å; P81-F84 HydrophobicContact CB-CZ 4.33Å
82A56.8Low68.4Low81 Ų81113.1 Ų113.167%0.66958%0.578SS**  trans-47.1123.6-171.900000107.8Q80 F84Q80-A82 PolarHBondContact O-N 3.14Å; A82-F84 PolarHBondContact O-N 2.94Å
83P53.7Low67.9Low73 Ų73115.1 Ų115.147%0.47460%0.595SS.*  trans-50.6111.1-16215.7-30.1000108.3P81 M85 Y91P81-P83 VanDerWaalsContact O-N 3.09Å; P83-M85 PolarHBondContact O-N 3.03Å; P83-M85 VanDerWaalsContact O-N 3.1Å; P83-Y91 HydrophobicContact CB-CD2 4.28Å; P83-Y91 HydrophobicContact CB-CE2 4.49Å; P83-Y91 HydrophobicContact CG-CD2 3.54Å; P83-Y91 HydrophobicContact CG-CE2 3.83Å; P83-Y91 HydrophobicContact CG-CG 4.33Å
84F48.8Very low67.2Low143 Ų143115.8 Ų115.863%0.62761%0.609SS**  trans-51.7124.8-173.5-69-85.2000106.9P81 A82 Y86P81-F84 HydrophobicContact CB-CE2 4.04Å; P81-F84 HydrophobicContact CB-CZ 4.33Å; A82-F84 PolarHBondContact O-N 2.94Å; F84-Y86 WeakPolarHBondContact O-CD2 3.27Å; F84-Y86 PolarHBondContact O-N 2.93Å
85M43.2Very low66.6Low115 Ų115115 Ų11557%0.56761%0.605SS**  trans-49.1106.4-175.3-69-170.387.800109.2P83 N87P83-M85 PolarHBondContact O-N 3.03Å; P83-M85 VanDerWaalsContact O-N 3.1Å; M85-N87 PolarHBondContact O-N 2.85Å
86Y48.7Very low65.8Low163 Ų163120.3 Ų120.364%0.63963%0.631SS**SBendtrans-72.688.6177-71-77000106.3F84F84-Y86 WeakPolarHBondContact O-CD2 3.27Å; F84-Y86 PolarHBondContact O-N 2.93Å
87N52.9Low65.1Low98 Ų98120.3 Ų120.352%0.52465%0.647SS.*THydrogen-bonded Turntrans5660.5177-51.9-56.7000113.4M85 L89 N100M85-N87 PolarHBondContact O-N 2.85Å; N87-L89 PolarHBondContact O-N 3.47Å; N87-N100 VanDerWaalsContact CB-ND2 3.26Å; N87-N100 WeakPolarHBondContact CB-ND2 3.46Å; N87-N100 PolarHBondContact ND2-ND2 3.36Å
88N62.5Low65Low144 Ų144115.1 Ų115.177%0.7763%0.627SS**THydrogen-bonded Turntrans62.15.9176-59.4-18.2000116.7
89L64.6Low65.4Low76 Ų76115.8 Ų115.840%0.39864%0.636SS.*  trans-71.9136.8172.7-77.3163.3000111.3N87 V98N87-L89 PolarHBondContact O-N 3.47Å; L89-V98 HydrophobicContact CD1-CB 4.39Å; L89-V98 HydrophobicContact CD1-CG1 3.69Å; L89-V98 HydrophobicContact CD1-CG2 3.82Å
90H69Low65.2Low167 Ų167114.1 Ų114.177%0.77362%0.62SS**  trans-68.2151.4165.7-78.2127.8000110.2D92H90-D92 PolarHBondContact O-N 3.26Å; H90-D92 VanDerWaalsContact O-N 3.09Å
91Y71.6Confident64.8Low187 Ų187111.6 Ų111.673%0.73362%0.616SS**  trans-72.8100.3174.9-174.5-95.8000110.1P83P83-Y91 HydrophobicContact CB-CD2 4.28Å; P83-Y91 HydrophobicContact CB-CE2 4.49Å; P83-Y91 HydrophobicContact CG-CD2 3.54Å; P83-Y91 HydrophobicContact CG-CE2 3.83Å; P83-Y91 HydrophobicContact CG-CG 4.33Å
92D79.9Confident64.5Low84 Ų84113.2 Ų113.245%0.44962%0.619SS.*  trans-108.6118.5170.4178.1-4.1000108.5H90 A94 I95H90-D92 PolarHBondContact O-N 3.26Å; H90-D92 VanDerWaalsContact O-N 3.09Å; D92-A94 PolarHBondContact O-N 2.85Å; D92-A94 WeakPolarHBondContact OD1-CB 3.35Å; D92-A94 PolarHBondContact OD1-N 3.2Å; D92-I95 HydrophobicContact CB-CD1 3.88Å; D92-I95 HydrophobicContact CB-CG1 4.03Å; D92-I95 PolarHBondContact O-N 2.72Å
93P83.2Confident63.9Low109 Ų109116.8 Ų116.871%0.70863%0.626SS**THydrogen-bonded Turntrans-63-9.6179.627.1-35.3000114.4
94A81.1Confident63.4Low76 Ų76120.1 Ų120.163%0.62864%0.639SS**THydrogen-bonded Turntrans-79.5-14.3172.300000114.3D92 L96D92-A94 PolarHBondContact O-N 2.85Å; D92-A94 WeakPolarHBondContact OD1-CB 3.35Å; D92-A94 PolarHBondContact OD1-N 3.2Å; A94-L96 PolarHBondContact O-N 3.37Å
95I80Confident63.9Low78 Ų78118.8 Ų118.840%0.465%0.645SS.*  trans-86.2103.3-176.1-60.5175.7000110.5D92 V98D92-I95 HydrophobicContact CB-CD1 3.88Å; D92-I95 HydrophobicContact CB-CG1 4.03Å; D92-I95 PolarHBondContact O-N 2.72Å; I95-V98 HydrophobicContact CG2-CG2 3.53Å
96L75.3Confident64.2Low170 Ų170119.1 Ų119.189%0.8965%0.653SS**  trans-84.2-22.6179.9-62.2177000114.5A94A94-L96 PolarHBondContact O-N 3.37Å
97S72.7Confident64.4Low106 Ų106116.9 Ų116.974%0.74166%0.661SS**  trans-161.1155.5173.668.10000111.9
98V72Confident63.8Low68 Ų68120.6 Ų120.641%0.41268%0.675SS.*  trans-136.1112175.5-171.80000109.8L89 I95 N100L89-V98 HydrophobicContact CD1-CB 4.39Å; L89-V98 HydrophobicContact CD1-CG1 3.69Å; L89-V98 HydrophobicContact CD1-CG2 3.82Å; I95-V98 HydrophobicContact CG2-CG2 3.53Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.37Å; V98-N100 PolarHBondContact O-N 2.9Å
99S74.8Confident63.1Low108 Ų108118.7 Ų118.776%0.75568%0.679SS**  trans-97.580.4-179.345.10000112.1V101S99-V101 PolarHBondContact O-N 2.73Å; S99-V101 VanDerWaalsContact O-N 3.09Å
100N60.7Low62.2Low84 Ų84122 Ų12245%0.44970%0.702SS.*  trans-78.795.7175.5-79.76.8000111.7N87 V98 I102N87-N100 VanDerWaalsContact CB-ND2 3.26Å; N87-N100 WeakPolarHBondContact CB-ND2 3.46Å; N87-N100 PolarHBondContact ND2-ND2 3.36Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.37Å; V98-N100 PolarHBondContact O-N 2.9Å; N100-I102 PolarHBondContact O-N 2.79Å
101V50.4Low61.2Low121 Ų121119.9 Ų119.973%0.73371%0.706SS**  trans-69.994.5167.5-178.10000109.1S99 L103S99-V101 PolarHBondContact O-N 2.73Å; S99-V101 VanDerWaalsContact O-N 3.09Å; V101-L103 HydrophobicContact CG1-CD1 4.47Å; V101-L103 HydrophobicContact CG1-CG 4.17Å; V101-L103 PolarHBondContact O-N 3.26Å; V101-L103 VanDerWaalsContact O-N 3.08Å
102I53Low60Low127 Ų127116.1 Ų116.165%0.65171%0.707SS**  trans-79.189.6173.3-56.5178.5000109N100 L104N100-I102 PolarHBondContact O-N 2.79Å; I102-L104 HydrophobicContact CG2-CD2 3.83Å; I102-L104 HydrophobicContact CG2-CG 4.07Å; I102-L104 PolarHBondContact O-N 2.71Å
103L44Very low59.1Low156 Ų156120.1 Ų120.182%0.81773%0.726SS**  trans-76.7106.1161.2-79.3163000108.9V101V101-L103 HydrophobicContact CG1-CD1 4.47Å; V101-L103 HydrophobicContact CG1-CG 4.17Å; V101-L103 PolarHBondContact O-N 3.26Å; V101-L103 VanDerWaalsContact O-N 3.08Å
104L44Very low57.2Low142 Ų142122 Ų12274%0.74373%0.73SS**  trans-78.7132.8169.8-66.8177.7000110.2I102 V106I102-L104 HydrophobicContact CG2-CD2 3.83Å; I102-L104 HydrophobicContact CG2-CG 4.07Å; I102-L104 PolarHBondContact O-N 2.71Å; L104-V106 PolarHBondContact O-N 2.86Å
105P58.5Low55.2Low116 Ų116125 Ų12575%0.75374%0.735SS**  trans-74.6123.917529.7-33.1000111S107P105-S107 PolarHBondContact O-N 2.85Å; P105-S107 VanDerWaalsContact O-N 3.14Å
106V49.6Very low53.4Low122 Ų122128.1 Ų128.174%0.73975%0.751SS**  trans-8190.5176.6-173.90000110.2L104 H108L104-V106 PolarHBondContact O-N 2.86Å; V106-H108 PolarHBondContact O-N 3Å; V106-H108 PolarHBondContact O-ND1 2.93Å
107S52.5Low52Low116 Ų116125 Ų12581%0.81174%0.739SS**  trans-75108.1174.948.10000111.9P105P105-S107 PolarHBondContact O-N 2.85Å; P105-S107 VanDerWaalsContact O-N 3.14Å
108H40.9Very low50.5Low176 Ų176128 Ų12882%0.81574%0.739SS**  trans-80.8129.5169.7-72.751.3000110.4V106V106-H108 PolarHBondContact O-N 3Å; V106-H108 PolarHBondContact O-ND1 2.93Å
109A48.2Very low49.2Very low103 Ų103133.9 Ų133.985%0.85175%0.754SS**  trans-141.6135165.700000110
110V44.9Very low47.9Very low145 Ų145138.4 Ų138.488%0.87976%0.755SS**  trans-81.3150.6-163.5-73.70000114.7
111S47.3Very low47.5Very low124 Ų124140 Ų14087%0.86777%0.77SS**  trans-139.1122.1156.6-178.50000108.4
112S47.1Very low47.3Very low108 Ų108138.6 Ų138.676%0.75577%0.77SS**  trans-118.7131.7-166.846.50000112.2
113I60.6Low47Very low167 Ų167139.5 Ų139.586%0.85678%0.782SS**  trans-134.4122.1169.5-64.1-176.2000110.1
114L43.7Very low47.5Very low149 Ų149138.7 Ų138.778%0.7878%0.783SS**  trans-28.5132171.9-114.241.5000115.7
115L39Very low47.9Very low139 Ų139137.7 Ų137.773%0.72879%0.786SS**  51.4138.184.5-63177.3000113.7
116L43Very low47.2Very low143 Ų143137.4 Ų137.475%0.74979%0.787SS**  cis-172.4168.321-126.8168.9000113.1
117V45Very low46.8Very low104 Ų104141 Ų14163%0.6379%0.787SS**  trans82.8141155.7-1340000124.5
118F42.1Very low46.3Very low171 Ų171144.5 Ų144.575%0.7578%0.782SS**  trans90.3104.7163.4-65.7-80.5000118
119R44.5Very low46.4Very low191 Ų191144.2 Ų144.272%0.72179%0.786SS**  61.2133.674.9-75.5-169.9166-176.3-0.8112.8
120R48Very low46.1Very low203 Ų203142.6 Ų142.677%0.76678%0.779SS**  cis-159.9174.88.9-113.9174.8179.5-172.1-2.4110.4
121P50.6Low46.3Very low118 Ų118142.6 Ų142.677%0.76678%0.779SS**  trans-117.7-176.7-164.343.9-35.7000117.5
122A46Very low46.1Very low90 Ų90141.1 Ų141.174%0.74477%0.769SS**  trans97.3127.6150.100000120.9
123T48.1Very low46.1Very low147 Ų147147.1 Ų147.190%0.90278%0.775SS**  -168.7152.4128.327.80000113.2
124T54.5Low45.6Very low138 Ų138149.4 Ų149.485%0.84777%0.774SS**  trans-79.7174.8-160.637.90000119.9
125P51.2Low46.2Very low122 Ų122147.5 Ų147.579%0.79277%0.771SS**  trans-113.5173.5-171.242.6-33.9000116.2
126S44.3Very low46.4Very low110 Ų110147.6 Ų147.677%0.76977%0.771SS**  trans-163.3126.3156.5-150.10000117.8
127R41.3Very low46.5Very low196 Ų196150.1 Ų150.174%0.7478%0.778SS**  trans41.2127.4139.1-76.4-174.8165.9-164.6-0.1124.8
128R41.5Very low46.1Very low191 Ų191153.1 Ų153.172%0.72179%0.785SS**  105.2131115.2-91.4-176.4-176.6-150.7-1.7122.6
129L42.7Very low45.9Very low169 Ų169150.5 Ų150.589%0.88579%0.787SS**  trans97.6140.4148.8-65.5159.9000121
130G42.6Very low45.7Very low69 Ų69148.6 Ų148.671%0.71179%0.79SS**  trans100.973.5168.900000116.5
131V49.3Very low45.1Very low146 Ų146143.6 Ų143.689%0.88579%0.785SS**  56.7106.784.6-172.90000115.8
132S43.7Very low44.8Very low93 Ų93145 Ų14565%0.6579%0.786SS**  trans171.8115.9131.2-176.40000115.3
133R47.1Very low44.5Very low234 Ų234151.4 Ų151.488%0.88379%0.791SS**  trans74.8141.6148.2-63.9171-169.9-159.2-0.3122.1
134Y49.5Very low44.3Very low215 Ų215152.6 Ų152.684%0.84379%0.79SS**  trans-111.8-161.7-173.7-60.1-93.1000110.6
135P55.2Low43.8Very low109 Ų109151.4 Ų151.471%0.70878%0.783SS**  cis-122.9155.6-26.711.913.5000113
136I44.7Very low43.6Very low141 Ų141155 Ų15572%0.72379%0.789SS**  52.9114.585.4-47.4170.3000116.1
137Q45Very low43.5Very low195 Ų195160.2 Ų160.291%0.91179%0.792SS**  trans-146.1144135.7-118.3176.20.200111.1
138H36.2Very low44Very low168 Ų168157.9 Ų157.978%0.77880%0.799SS**  trans-140179.7-172.5-132.2-95.5000108.3
139C38.4Very low44.6Very low115 Ų115155.7 Ų155.778%0.77780%0.801SS**  trans90.5125.7179.1-54.90000114
140L40.2Very low45.1Very low151 Ų151152.6 Ų152.679%0.79179%0.791SS**  cis85.8121.536.4-69.6178.2000115.9
141C34.3Very low45.7Very low98 Ų98155.2 Ų155.266%0.66280%0.796SS**  trans91.3134.8144.6-680000122
142N45.4Very low45.5Very low147 Ų147157.1 Ų157.179%0.78679%0.793SS**  trans72.5122.6154.6-52.8-25.9000117.2
143R39.1Very low45.5Very low225 Ų225161.3 Ų161.385%0.84981%0.807SS**  cis77.788.648.2-166.5-170.2-162.8174.97.8113.6
144I43.2Very low45.2Very low173 Ų173156 Ų15689%0.88780%0.8SS**  trans-131.5152.6155.6-73.5178.5000108.3
145V45Very low44.6Very low113 Ų113150.8 Ų150.869%0.68580%0.795SS**  trans-106.5139.7-173.5170.90000109.7
146E46Very low44Very low198 Ų198151.4 Ų151.493%0.92580%0.797SS**  trans-147.8154.9151.1-134.5163.6-153.800112
147R42Very low43.4Very low218 Ų218149.1 Ų149.182%0.82379%0.793SS**  trans-108.5135.5-166.5-61.7171.1174.1139.6-7.1111.2
148V53.5Low43.2Very low147 Ų147148.3 Ų148.389%0.89179%0.787SS**  trans-143.5125.6150.5-173.50000108.3
149D52.6Low43.4Very low145 Ų145149.7 Ų149.778%0.77579%0.787SS**  trans-90.6158.8-177.3-83.1-59.1000113.1
150P55Low43.4Very low104 Ų104149 Ų14968%0.67578%0.783SS**  trans-105176.2-167.941.1-36.3000113.7
151P54.4Low43.5Very low125 Ų125149.5 Ų149.581%0.81279%0.786SS**  trans-112.2136.2153.834.3-25.3000113.2
152K45.4Very low43.9Very low186 Ų186152.5 Ų152.581%0.80980%0.795SS**  trans-77.1141.3169.5-58.2158.3-176.5170.30108.8
153L43.5Very low44Very low181 Ų181151.4 Ų151.495%0.94880%0.795SS**  trans-100128.8161.6-73.4178.1000110
154V41.4Very low44Very low123 Ų123146.2 Ų146.275%0.74579%0.794SS**  trans-108.1135.5-169.8169.80000109.5
155S35.4Very low44.1Very low104 Ų104141.3 Ų141.373%0.72779%0.786SS**  trans-65.1130.5166.7171.10000110.6
156T42.4Very low43.7Very low122 Ų122143 Ų14375%0.74879%0.79SS**  -171.5147.5124.228.60000111.7
157S33.4Very low43.2Very low94 Ų94143.2 Ų143.266%0.65778%0.784SS**  trans-46.4150.5169.652.70000115.5
158F41.4Very low42.9Very low177 Ų177139.9 Ų139.978%0.77678%0.782SS**  trans-163.6161.2136.7-95.7-62.6000113
159Y39.6Very low41.9Very low197 Ų197138.1 Ų138.177%0.77377%0.771SS**  trans72.888.4167.8-58.2-63.1000120.5
160S37.5Very low41Very low101 Ų101138.7 Ų138.771%0.70677%0.769SS**  trans-40.7144.7132.152.60000114.2
161L42.3Very low40.1Very low162 Ų162143.3 Ų143.385%0.84877%0.773SS**  trans179.3112.6130.7-96.8151.8000111.2
162L43.3Very low39.2Very low161 Ų161143.8 Ų143.884%0.84377%0.765SS**  trans-76.7157.3150.6-79.4156.9000108
163P46.7Very low38.8Very low123 Ų123140.6 Ų140.680%0.79976%0.761SS**  -143.8157.4107.136.2-22.1000115.5
164S40.7Very low38.6Very low116 Ų116136.9 Ų136.981%0.81175%0.749SS**  trans-90.9144.5171.950.90000113.1
165G45.2Very low38.6Very low71 Ų71136 Ų13673%0.73275%0.749SS**  trans-174.9121.4161.600000108.5
166L36.1Very low39Very low148 Ų148137.5 Ų137.578%0.77575%0.754SS**  cis79.494.747.4-61.4-179000115.2
167Y36.1Very low38.9Very low202 Ų202135.1 Ų135.179%0.79275%0.753SS**  trans74.3145.1135.5-78.9-72.5000124.5
168L34.3Very low39.4Very low149 Ų149138.8 Ų138.878%0.7876%0.76SS**  trans60.2143.5158.7-91.455.5000117.3
169V33.1Very low39.1Very low110 Ų110137.7 Ų137.767%0.66776%0.761SS**  cis146.2130.9-11.7145.40000107
170Q34.2Very low39.1Very low157 Ų157131.5 Ų131.573%0.73476%0.757SS**  trans77.3136.2155.2-89.4169.4-17.300123.9
171R35.5Very low39.3Very low200 Ų200132.1 Ų132.176%0.75576%0.761SS**  trans74.4145.7145.5-69.1-177.8144150.8-1.2117.6
172E35.3Very low39.5Very low136 Ų136133.2 Ų133.264%0.63676%0.762SS**  cis-159159.71.6-124.9171.4-154.600114.3
173V36.9Very low39.8Very low119 Ų119130.3 Ų130.372%0.72175%0.753SS**  trans57125.3141.6171.70000122.8
174S39.7Very low39.5Very low102 Ų102131.6 Ų131.671%0.71375%0.748SS**  trans160.5108130.2-71.60000109.7
175S42.3Very low39.6Very low105 Ų105130.6 Ų130.673%0.73474%0.737SS**  73.1140.679.983.80000113.2
176T42.6Very low39.4Very low136 Ų136135.7 Ų135.783%0.83473%0.734SS**  cis-155.1159.218.643.70000114.6
177G40.9Very low39.8Very low71 Ų71135.3 Ų135.373%0.73273%0.733SS**  trans87.8148.2146.200000120.2
178Q42.8Very low40.1Very low172 Ų172132.4 Ų132.480%0.80473%0.731SS**  cis-160141.7-9.7-102.8-169.5-10.100111.7
179I36.1Very low40.3Very low153 Ų153131.4 Ų131.479%0.78573%0.725SS**  trans50.9126.6139.7-50.9164.8000118.5
180G39.5Very low40.6Very low68 Ų68133.5 Ų133.570%0.70173%0.733SS**  cis-161.1-144.54.600000108.6
181S41.3Very low40.7Very low113 Ų113131 Ų13179%0.7973%0.728SS**  cis173.3142.6-16.443.90000106.6
182Q47.6Very low40.9Very low185 Ų185128.1 Ų128.186%0.86473%0.732SS**  cis-151.6-160.23.7-130.2-170.9-42.300109.6
183P49.1Very low40.8Very low100 Ų100128 Ų12865%0.64974%0.736SS**  trans-134.8-146.4-137.445.5-23.4000116.6
184E39.9Very low40.8Very low151 Ų151127.9 Ų127.971%0.70674%0.735SS**  trans98.7131.3175.2-56.2-84110.800114R186E184-R186 IonicContact OE1-NH1 3.97Å; E184-R186 IonicContact OE2-NH1 3.08Å
185V42.8Very low40.9Very low95 Ų95129.9 Ų129.958%0.57674%0.744SS**  cis-156.2138.50.7105.70000112
186R42.3Very low40.6Very low178 Ų178131.3 Ų131.367%0.67275%0.748SS**  trans28.4155.7137.3-59.2-177.6-17397.59.4121.3E184E184-R186 IonicContact OE1-NH1 3.97Å; E184-R186 IonicContact OE2-NH1 3.08Å
187D43.1Very low40.4Very low140 Ų140128.4 Ų128.475%0.74974%0.744SS**  cis-166.8172.3-18.3-82.4-28.6000103.3
188D42Very low40.3Very low140 Ų140132.4 Ų132.475%0.74975%0.749SS**  cis-148.6-179.69.8-170.615000108.9
189I39.5Very low41Very low128 Ų128129.7 Ų129.766%0.65675%0.746SS**  trans-119145.5174-66.7165.5000109.5V191I189-V191 HydrophobicContact CG2-CG2 4.09Å
190N39.2Very low41.7Very low154 Ų154128.4 Ų128.482%0.82475%0.748SS**  trans-144.2108.9149.3-99.3-53.8000112.4
191V36.7Very low41.9Very low106 Ų106132.3 Ų132.364%0.64276%0.758SS**  trans-100.5131170.2172.60000108I189I189-V191 HydrophobicContact CG2-CG2 4.09Å
192V40.2Very low42Very low139 Ų139130 Ų13084%0.84275%0.752SS**  trans-130.3129.7161.4-1780000109.7
193N32.7Very low42Very low132 Ų132127.1 Ų127.171%0.70675%0.747SS**  trans-84.4149.1-174.5-83.3-39000113.2
194V36.8Very low41.4Very low118 Ų118133.3 Ų133.372%0.71576%0.757SS**  trans47.4122.7135.4-178.30000118.8
195T41.4Very low41.4Very low144 Ų144129.7 Ų129.788%0.88376%0.761SS**  trans-155.4144.2134.34.20000112.1
196V36.4Very low41.3Very low135 Ų135135.8 Ų135.882%0.81878%0.775SS**  trans-93.5136.6179.4174.30000109.5
197G38.6Very low41.3Very low74 Ų74130.5 Ų130.576%0.76378%0.776SS**  trans-148.4124177.200000112.5
198N39Very low41.2Very low156 Ų156129.9 Ų129.983%0.83478%0.783SS**PPolyproline II helixtrans-84164-177.9-87-36.7000113
199P56.5Low41.2Very low114 Ų114128.8 Ų128.874%0.7478%0.783SS**PPolyproline II helixtrans-95.6166.8-162.137.9-37.6000115
200P51.6Low41.2Very low127 Ų127134.7 Ų134.783%0.82580%0.797SS**PPolyproline II helixtrans-103.8138.2169.636-28.8000115
201V44.5Very low41Very low150 Ų150137.6 Ų137.691%0.90980%0.796SS**PPolyproline II helixtrans-55.5148.8168.6173.30000113.8
202G42.9Very low41Very low65 Ų65143.8 Ų143.867%0.6781%0.808SS**  trans-170.381.9171.300000118
203T47.6Very low41.1Very low123 Ų123145 Ų14576%0.75581%0.805SS**  trans38.7109.6147.350.20000121
204R36Very low41.3Very low230 Ų230144.5 Ų144.587%0.86881%0.806SS**  72115.689.5-78.1-172.1177.8-175.60.6116.6
205G39.4Very low41.6Very low76 Ų76144.8 Ų144.878%0.78481%0.808SS**  trans-162.1117.4164.700000112.6
206Y42.1Very low41.4Very low223 Ų223145.2 Ų145.288%0.87580%0.8SS**  trans-61.3154.9176-43-94.3000111.5
207G40.6Very low41.6Very low67 Ų67149.8 Ų149.869%0.69180%0.803SS**  cis140.4139.43.600000110.3
208S40.8Very low41.7Very low127 Ų127152.9 Ų152.989%0.88880%0.802SS**  trans163.7131.8155.4-82.20000112.5
209P43.7Very low42Very low117 Ų117152 Ų15276%0.7680%0.802SS**  trans-106.1145.5178.638-31.8000114
210R37.9Very low41.6Very low251 Ų251152.1 Ų152.195%0.94780%0.802SS**  trans177.6147157.5-92.7142.4-167.2-1474.8105.2
211R36.4Very low40.9Very low215 Ų215153.1 Ų153.181%0.81180%0.801SS**  cis-154.9140.624.8-164.3176.9-170-126.67.7108.4
212R36.3Very low40.5Very low236 Ų236157.7 Ų157.789%0.89180%0.802SS**  trans-76.2129.6167.8-78.9177.2170.8149.1-3.8109
213E41.3Very low40.3Very low165 Ų165162.5 Ų162.577%0.77181%0.811SS**  trans-92.3122.4161-66.8-160.5146.700109.6
214V36.7Very low40Very low121 Ų121161.8 Ų161.873%0.73381%0.808SS**  trans-102.6105.8172.9173.90000106.2
215V44.4Very low40.2Very low125 Ų125159.5 Ų159.576%0.75881%0.808SS**  trans-85.6114.6171.2177.60000108.5
216Q37.5Very low40.3Very low152 Ų152165 Ų16571%0.7181%0.813SS**  trans-68.2141.1178.6-69145.7-40.100111.4
217R40.7Very low40Very low232 Ų232166.2 Ų166.288%0.87582%0.816SS**  trans-140.195153.9-68.2-167.5-157154.37.7109
218D39.6Very low40.1Very low139 Ų139167.3 Ų167.374%0.74382%0.819SS**  trans-74126.4173.3-63.2-63.1000110.8
219V46.6Very low40.1Very low138 Ų138168.3 Ų168.384%0.83681%0.814SS**  trans-139.698.6164.7-175.40000109.3
220P47.3Very low40Very low115 Ų115173.4 Ų173.475%0.74783%0.825SS**  trans-92.7131.1171.932.5-29.2000112.3
221N36.1Very low40Very low149 Ų149172.6 Ų172.680%0.79782%0.821SS**  trans-44.8147.2170-60.2-73.5000115
222R37.7Very low40.2Very low245 Ų245174.6 Ų174.693%0.92583%0.829SS**  172.4126.1111.8-91.1163-169-167.16113.9
223L38.2Very low40.3Very low167 Ų167174.1 Ų174.187%0.87483%0.827SS**  trans-72.9152.6153.1-86.1161.7000109.4
224P40.9Very low40.4Very low107 Ų107172 Ų17270%0.69583%0.828SS**  -156.115684.939.1-18.4000119.5
225Q40.7Very low40.7Very low182 Ų182173.2 Ų173.285%0.8584%0.836SS**  trans50.3109.5140.4-62.3176.520.300122.2
226Q41.6Very low40.5Very low193 Ų193171.3 Ų171.390%0.90284%0.842SS**  trans-138.7121.4137.7-60.6-171.31300107.5
227R34.3Very low40.7Very low248 Ų248167.8 Ų167.894%0.93685%0.846SS**  68.187.766.6-83.2-169.9160.6-164.5-2.6115.7
228A43.3Very low40.7Very low90 Ų90168.4 Ų168.474%0.74485%0.848SS**  trans179.1114.1139.600000108.7
229N41Very low40.6Very low148 Ų148173.4 Ų173.479%0.79186%0.856SS**  62.289.776.6-71.2-20.9000115.3
230F42.6Very low40.3Very low223 Ų223175.5 Ų175.598%0.97886%0.862SS**  trans-141.4140.8137-90.6-68.1000112
231R36.2Very low40.1Very low234 Ų234173.8 Ų173.888%0.88386%0.857SS**  trans-98.3144.1-174.7-60.7169.5173.1171.7-3.9110.3
232R40.9Very low40.2Very low257 Ų257175.8 Ų175.897%0.9786%0.862SS**  trans-171.2152.2132.5-97.3155.2-155.9-101.76.2109.7
233R38.9Very low40.2Very low226 Ų226167.6 Ų167.685%0.85385%0.854SS**  trans-125.4158.9-169.9-130.4-169.2160.8-177.4-6.8109.6
234P44.4Very low40.3Very low121 Ų121165.1 Ų165.179%0.78685%0.845SS**  trans-109.3-177.7-166.642.4-33.8000114.5
235T42.1Very low40.4Very low147 Ų147165.3 Ų165.390%0.90285%0.845SS**  trans-144.3133.4-177.2-26.30000113.4
236G39.8Very low40.1Very low85 Ų85164.9 Ų164.988%0.87684%0.842SS**  trans72.8152.5171.800000116.7
237G41Very low40.2Very low77 Ų77165.9 Ų165.979%0.79484%0.839SS**  cis148.1141.4-1.100000109.6
238R40.7Very low40.3Very low246 Ų246158.9 Ų158.993%0.92883%0.828SS**  cis-146.6145.21.6-66.2172.4171.1175.1-3.4111.7
239R39.3Very low40.1Very low243 Ų243162.6 Ų162.692%0.91784%0.836SS**  trans9.6138.4147-56.6-178.1179.7-140.51122.3
240L39.7Very low40.1Very low183 Ų183162.4 Ų162.496%0.95884%0.835SS**  -164.5161.1117.6-106.3158.9000112.1
241A42.3Very low39.7Very low78 Ų78160.7 Ų160.765%0.64582%0.823SS**  trans-122.8137.8-164.700000110.8
242Q39.5Very low40.2Very low191 Ų191161 Ų16189%0.89383%0.826SS**  75.8113.992.1-161.8178.82200114.5
243G37.3Very low40.1Very low74 Ų74152.9 Ų152.976%0.76381%0.809SS**  trans-157.1123.9169.200000109.9
244V39.9Very low40.4Very low114 Ų114150 Ų15069%0.69181%0.808SS**  trans-127132.2178.7173.40000107.5
245V42.6Very low40.3Very low112 Ų112150 Ų15068%0.67981%0.808SS**  trans-125.4127.2174.9-178.40000108.1Y247V245-Y247 HydrophobicContact CG1-CD2 4.05Å; V245-Y247 HydrophobicContact CG1-CE2 3.59Å
246H35.4Very low39.9Very low172 Ų172154.7 Ų154.780%0.79681%0.809SS**  trans-99.7136.5171.2-71.4-92.6000109.2
247Y42.4Very low39.8Very low215 Ų215157.7 Ų157.784%0.84381%0.805SS**  trans-112.7140.9168-79.7-79000110.6V245V245-Y247 HydrophobicContact CG1-CD2 4.05Å; V245-Y247 HydrophobicContact CG1-CE2 3.59Å
248S37.5Very low39.7Very low101 Ų101159.6 Ų159.671%0.70680%0.797SS**PPolyproline II helixtrans-83.9139.4-178.553.40000112.2
249N37.8Very low39.8Very low168 Ų168155.9 Ų155.990%0.89879%0.79SS**PPolyproline II helixtrans-102.2124.2160.6-79.7-14.5000109.7
250N42Very low39.8Very low144 Ų144148.7 Ų148.777%0.7778%0.783SS**PPolyproline II helixtrans-94.4140178.6-110.6-16.3000111.6
251Y34.6Very low40.1Very low187 Ų187145.7 Ų145.773%0.73377%0.774SS**  trans-9132.9159-76.8-97.9000119.5
252Y45.4Very low40.3Very low239 Ų239147.4 Ų147.494%0.93778%0.779SS**  -130.1129.4124-87.6-82.1000109.7
253S40.2Very low40.4Very low88 Ų88150.3 Ų150.362%0.61578%0.782SS**  trans-92.2176.6178.2-49.30000111.2
254I44.9Very low40.3Very low164 Ų164150.8 Ų150.884%0.84179%0.786SS**  trans142.2138.7157.7-77161.2000109.3
255P42Very low40.5Very low121 Ų121153.2 Ų153.279%0.78680%0.795SS**  -125.6-172-101.727.1-3.4000114.3
256R34.1Very low40.3Very low246 Ų246151.7 Ų151.793%0.92879%0.794SS**  trans-86.5151.5169.9-69.6-165.5179.8-1273.8112
257L37.9Very low40.5Very low149 Ų149147.2 Ų147.278%0.7880%0.795SS**  trans-133117.1166.1-169.471000108.3
258D38Very low40.4Very low116 Ų116147.9 Ų147.962%0.6280%0.797SS**  trans43.4163.5154.4-41.1-26.2000121.5
259Q43.2Very low40.5Very low168 Ų168146.1 Ų146.179%0.78580%0.796SS**  cis-141.8153.66.9-117.1100.327.200111.4
260A39Very low40.5Very low93 Ų93148.8 Ų148.877%0.76979%0.794SS**  trans58.4119.2148.500000124
261P45.9Very low40.3Very low119 Ų119152.5 Ų152.577%0.77380%0.798SS**  trans-114.3-166.1147.339-26.6000110.8
262P47.5Very low40.5Very low115 Ų115151.3 Ų151.375%0.74780%0.804SS**  -129.2166.9-5336.1-21.6000112.7
263R40Very low40.2Very low252 Ų252150.5 Ų150.595%0.95180%0.801SS**  trans-143.1136.9146.6-74.9-159.6173.5-177.1-1.3109.8
264G36Very low40.1Very low83 Ų83150 Ų15086%0.85681%0.809SS**  trans-101.5-179.5-165.700000115
265N43.6Very low40Very low166 Ų166145.5 Ų145.589%0.88880%0.804SS**  trans-146.3142.1155.2-164.34.6000109.3
266A39.3Very low40Very low80 Ų80152.2 Ų152.266%0.66181%0.813SS**  trans-102.4135.3-178.500000110.5
267G39.7Very low40.2Very low78 Ų78144.3 Ų144.380%0.80481%0.808SS**  trans-149.1108.1177.200000110.8
268Y39.4Very low40.2Very low228 Ų228141.4 Ų141.489%0.89481%0.814SS**  trans-77.8138-178.7-62-93.6000111.1
269G40.1Very low40.3Very low65 Ų65139.2 Ų139.267%0.6782%0.82SS**  trans-168.982.7-178.800000115.4
270Y36.9Very low39.9Very low223 Ų223139.9 Ų139.988%0.87583%0.825SS**  trans48115154-61-78.8000121
271R38.6Very low40.1Very low223 Ų223139.3 Ų139.384%0.84283%0.828SS**  trans-64.6133.3160-63.1175.9-178.8170.71110.3
272N38.4Very low40.1Very low161 Ų161144.7 Ų144.786%0.86183%0.833SS**  trans-111.7110155.6-86.8-56.6000109.5
273Y38.8Very low39.7Very low223 Ų223142.8 Ų142.888%0.87583%0.834SS**  trans-91.4112.1163.8-100.8-99.4000107.8
274G39.5Very low39.7Very low76 Ų76134.1 Ų134.178%0.78482%0.823SS**  trans-177.5135.2175.900000114.2
275G41.6Very low39.7Very low71 Ų71134.3 Ų134.373%0.73283%0.826SS**  trans71.4102.4172.700000114.3
276R41.8Very low39.8Very low261 Ų261136.6 Ų136.699%0.98582%0.822SS**  39120.567.9-76.7-156-168-110.49.6114.5
277G38.5Very low40.2Very low80 Ų80140 Ų14083%0.82582%0.824SS**  trans11211317700000109.7
278G38.1Very low40.2Very low88 Ų88146 Ų14691%0.90783%0.828SS**  cis103.977.122.900000109
279G40.1Very low40.9Very low71 Ų71141.9 Ų141.973%0.73282%0.817SS**  trans-174.890-175.200000112.5G281G279-G281 PolarHBondContact O-N 3.4Å
280M35.8Very low41.3Very low181 Ų181145.5 Ų145.589%0.89282%0.821SS**  trans-6897.5167.1-91.479.2162.300110.1
281G42.7Very low41.9Very low81 Ų81142.8 Ų142.884%0.83582%0.821SS**  trans-9187.6160.400000110.2G279G279-G281 PolarHBondContact O-N 3.4Å
282R45.3Very low42.5Very low232 Ų232137.2 Ų137.288%0.87581%0.808SS**  trans-81.1138.2177.5-75-176.7171.3-167.1-2.4111.2
283G39.9Very low43.1Very low75 Ų75137.2 Ų137.277%0.77381%0.805SS**  trans80.6100.2166.100000113
284G39.5Very low43.8Very low70 Ų70136.8 Ų136.872%0.72280%0.803SS**  cis70.676.817.800000109.5R286G284-R286 PolarHBondContact O-N 2.94Å
285G36.9Very low44.8Very low88 Ų88143.3 Ų143.391%0.90780%0.804SS**  trans-55.1112.9-177.800000111.4
286R45.9Very low46Very low213 Ų213144.6 Ų144.680%0.80480%0.799SS**  trans-127.9112.4163.6-68.7-165.7-173.6-133.73108G284 F288G284-R286 PolarHBondContact O-N 2.94Å; R286-F288 PolarHBondContact O-N 2.87Å
287Q45.9Very low47.3Very low153 Ų153140.5 Ų140.572%0.71579%0.789SS**  trans7.798.9141.7-66.3145.7-20.100114.2Q289Q287-Q289 HydrophobicContact CB-CB 4.5Å; Q287-Q289 HydrophobicContact CB-CG 4.39Å; Q287-Q289 PolarHBondContact O-N 2.86Å
288F41.5Very low48.9Very low202 Ų202142.7 Ų142.789%0.88678%0.781SS**THydrogen-bonded Turntrans-73.477.5160.5-77.2-87.8000108.4R286R286-F288 PolarHBondContact O-N 2.87Å
289Q52.6Low50.6Low143 Ų143146.8 Ų146.867%0.66877%0.774SS**THydrogen-bonded Turntrans-122.2-18178.4-75.5179-29.800113.6Q287Q287-Q289 HydrophobicContact CB-CB 4.5Å; Q287-Q289 HydrophobicContact CB-CG 4.39Å; Q287-Q289 PolarHBondContact O-N 2.86Å
290D49.5Very low52.2Low140 Ų140152.1 Ų152.175%0.74977%0.773SS**THydrogen-bonded Turntrans-101.311.5-169.4-61.5-31000116.3N292D290-N292 VanDerWaalsContact C-N 3.32Å
291L49.3Very low54Low166 Ų166155.4 Ų155.487%0.86978%0.776SS**THydrogen-bonded Turntrans-88.38174.5-81.5169.1000114.1M293L291-M293 VanDerWaalsContact C-N 3.31Å; L291-M293 PolarHBondContact O-N 3.45Å
292N52.1Low55.9Low107 Ų107157 Ų15757%0.57277%0.77SS**  trans-91.222.3-178.7-156.120000114D290D290-N292 VanDerWaalsContact C-N 3.32Å
293M50.5Low57.8Low161 Ų161153.6 Ų153.679%0.79377%0.769SS**SBendtrans-11031.1-166.2-73.8-10067.700115.5L291L291-M293 VanDerWaalsContact C-N 3.31Å; L291-M293 PolarHBondContact O-N 3.45Å
294Y53.1Low60Low214 Ų214157.8 Ų157.884%0.83976%0.762SS**  trans-162.458.7150.1-147.5-96.1000112.9
295R59.4Low62.3Low213 Ų213158.6 Ų158.680%0.80475%0.75SS**  trans-77.7122.3155.1-92.3-173.9162.9-165.3-6.5107.4K297R295-K297 PolarHBondContact O-N 3.1Å; R295-K297 VanDerWaalsContact O-N 3.1Å
296P67.9Low64.9Low97 Ų97161.1 Ų161.163%0.6374%0.736SS**  trans-59.4120.2170.825.3-31.9000107.5L298P296-L298 PolarHBondContact O-N 3.45Å
297K68.8Low67Low176 Ų176157.3 Ų157.377%0.76573%0.727SS**  trans-62.4110.3167.5-73.3-176.8176.6-177.60106.1R295 F299R295-K297 PolarHBondContact O-N 3.1Å; R295-K297 VanDerWaalsContact O-N 3.1Å; K297-F299 VanDerWaalsContact C-N 3.32Å; K297-F299 HydrophobicContact CB-CD2 4.22Å; K297-F299 HydrophobicContact CB-CE2 4.04Å; K297-F299 WeakPolarHBondContact O-CD2 3.4Å; K297-F299 PolarHBondContact O-N 3.42Å
298L73.3Confident69.1Low125 Ų125155.8 Ų155.865%0.65472%0.72SS**  trans-63.299.5170.3-72170.2000106.8P296 Y300P296-L298 PolarHBondContact O-N 3.45Å; L298-Y300 HydrophobicContact CB-CE1 4.07Å; L298-Y300 HydrophobicContact CB-CE2 4.18Å; L298-Y300 PolarHBondContact O-N 3.03Å
299F71.8Confident71.5Confident175 Ų175146.8 Ų146.877%0.76868%0.684SS**  trans-80.592.3169.8-83.6-83.2000107.6K297 R301K297-F299 VanDerWaalsContact C-N 3.32Å; K297-F299 HydrophobicContact CB-CD2 4.22Å; K297-F299 HydrophobicContact CB-CE2 4.04Å; K297-F299 WeakPolarHBondContact O-CD2 3.4Å; K297-F299 PolarHBondContact O-N 3.42Å; F299-R301 PolarHBondContact O-N 3.07Å
300Y74.5Confident73.2Confident182 Ų182145.4 Ų145.471%0.71468%0.681SS**  trans-60.8123.8164.1-47.6-73000107.7L298L298-Y300 HydrophobicContact CB-CE1 4.07Å; L298-Y300 HydrophobicContact CB-CE2 4.18Å; L298-Y300 PolarHBondContact O-N 3.03Å
301R73.9Confident75.2Confident250 Ų250144.4 Ų144.494%0.94367%0.67SS**SBendtrans-90.6-16.9176.9-73.2-174.9173.2-176.5-1.8112.7F299F299-R301 PolarHBondContact O-N 3.07Å
302T82.3Confident77.2Confident116 Ų116141.4 Ų141.471%0.71265%0.651SS**SBendtrans-137.1148.6-179.449.70000106.8
303D85Confident79.2Confident160 Ų160142.8 Ų142.886%0.85665%0.652SS**  trans-67.3160.9169.1-61.3-49.2000110D305D303-D305 PolarHBondContact O-N 2.87Å
304Y86.7Confident81.2Confident162 Ų162137.4 Ų137.464%0.63563%0.633SS**  trans-77.9116.5179.4-174.5-98000109.9F306 A309Y304-F306 AromaticContact CD1-CD1 3.82Å; Y304-F306 HydrophobicContact CD1-CD1 3.82Å; Y304-F306 AromaticContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CG 4.26Å; Y304-F306 HydrophobicContact CD1-CZ 4.23Å; Y304-F306 AromaticContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CE1 4.1Å; Y304-F306 PolarHBondContact O-N 2.97Å; Y304-A309 HydrophobicContact CE1-CB 3.66Å; Y304-A309 HydrophobicContact CE2-CB 4.38Å; Y304-A309 VanDerWaalsContact CZ-CB 3.48Å; Y304-A309 WeakPolarHBondContact OH-CB 3.49Å
305D88.1Confident83Confident87 Ų87132.9 Ų132.947%0.46562%0.62SS.*  trans-82.7108.4176.4-166.4-30.9000110.2D303 E307 E308 A309D303-D305 PolarHBondContact O-N 2.87Å; D305-E307 VanDerWaalsContact C-N 3.27Å; D305-E307 PolarHBondContact O-N 2.8Å; D305-E307 WeakPolarHBondContact OD1-CB 3.25Å; D305-E307 PolarHBondContact OD1-N 3.2Å; D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 PolarHBondContact O-N 2.81Å; D305-E308 PolarHBondContact OD1-N 2.84Å; D305-A309 PolarHBondContact O-N 3.23Å; D305-A309 VanDerWaalsContact O-N 3.07Å
306F90.7Very high84.6Confident141 Ų141127.9 Ų127.962%0.61861%0.606SS**Hα-helixtrans-66.9-26.4179-62.2-81.6000112.9Y304 N310Y304-F306 AromaticContact CD1-CD1 3.82Å; Y304-F306 HydrophobicContact CD1-CD1 3.82Å; Y304-F306 AromaticContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CG 4.26Å; Y304-F306 HydrophobicContact CD1-CZ 4.23Å; Y304-F306 AromaticContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CE1 4.1Å; Y304-F306 PolarHBondContact O-N 2.97Å; F306-N310 VanDerWaalsContact O-CB 3.31Å; F306-N310 WeakPolarHBondContact O-CB 3.47Å; F306-N310 PolarHBondContact O-N 3.44Å; F306-N310 PolarHBondContact O-ND2 3.46Å
307E89.3Confident85.8Confident133 Ų133126.9 Ų126.962%0.62160%0.595SS**Hα-helixtrans-74.6-37177.1-64-169.3-167.800111.8D305 K311D305-E307 VanDerWaalsContact C-N 3.27Å; D305-E307 PolarHBondContact O-N 2.8Å; D305-E307 WeakPolarHBondContact OD1-CB 3.25Å; D305-E307 PolarHBondContact OD1-N 3.2Å; E307-K311 VanDerWaalsContact O-CD 3.23Å; E307-K311 WeakPolarHBondContact O-CD 3.43Å; E307-K311 WeakPolarHBondContact O-CE 3.45Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.5Å; E307-K311 IonicContact OE2-NZ 3.14Å
308E90.5Very high86.8Confident121 Ų121124.8 Ų124.857%0.56559%0.588SS**Hα-helixtrans-66.6-48.6173.6-169.1166.2-144.600110.3D305 N310 K311 E312D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 PolarHBondContact O-N 2.81Å; D305-E308 PolarHBondContact OD1-N 2.84Å; E308-N310 VanDerWaalsContact C-N 3.35Å; E308-N310 PolarHBondContact O-N 3.48Å; E308-K311 WeakPolarHBondContact O-CB 3.35Å; E308-K311 PolarHBondContact O-N 3.47Å; E308-E312 PolarHBondContact O-N 2.88Å
309A91.1Very high87.7Confident14 Ų14123.6 Ų123.612%0.11658%0.582CS.*Hα-helixtrans-58.8-40.217700000113.9Y304 D305 K311 E312 F313Y304-A309 HydrophobicContact CE1-CB 3.66Å; Y304-A309 HydrophobicContact CE2-CB 4.38Å; Y304-A309 VanDerWaalsContact CZ-CB 3.48Å; Y304-A309 WeakPolarHBondContact OH-CB 3.49Å; D305-A309 PolarHBondContact O-N 3.23Å; D305-A309 VanDerWaalsContact O-N 3.07Å; A309-K311 VanDerWaalsContact C-N 3.31Å; A309-K311 PolarHBondContact O-N 2.88Å; A309-E312 PolarHBondContact O-N 2.82Å; A309-F313 WeakPolarHBondContact O-CB 3.28Å; A309-F313 PolarHBondContact O-N 3.46Å
310N89.8Confident88.5Confident113 Ų113119.8 Ų119.860%0.60457%0.569SS**Hα-helixtrans-67.5-31.5176.5-73.7-18.4000112.2F306 E308 A314F306-N310 VanDerWaalsContact O-CB 3.31Å; F306-N310 WeakPolarHBondContact O-CB 3.47Å; F306-N310 PolarHBondContact O-N 3.44Å; F306-N310 PolarHBondContact O-ND2 3.46Å; E308-N310 VanDerWaalsContact C-N 3.35Å; E308-N310 PolarHBondContact O-N 3.48Å; N310-A314 WeakPolarHBondContact O-CB 3.29Å; N310-A314 PolarHBondContact O-N 3.12Å; N310-A314 VanDerWaalsContact O-N 3.1Å
311K91.7Very high89.3Confident119 Ų119116.7 Ų116.752%0.51756%0.559SS.*Hα-helixtrans-71.1-44173.7-68.6158.9-166.5153.10111.2E307 E308 A309 F313 A314 Q315E307-K311 VanDerWaalsContact O-CD 3.23Å; E307-K311 WeakPolarHBondContact O-CD 3.43Å; E307-K311 WeakPolarHBondContact O-CE 3.45Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.5Å; E307-K311 IonicContact OE2-NZ 3.14Å; E308-K311 WeakPolarHBondContact O-CB 3.35Å; E308-K311 PolarHBondContact O-N 3.47Å; A309-K311 VanDerWaalsContact C-N 3.31Å; A309-K311 PolarHBondContact O-N 2.88Å; K311-F313 VanDerWaalsContact C-N 3.34Å; K311-F313 PolarHBondContact O-N 3.49Å; K311-A314 PolarHBondContact O-N 2.87Å; K311-Q315 WeakPolarHBondContact O-CG 3.44Å; K311-Q315 PolarHBondContact O-N 2.64Å
312E91.5Very high90.1Very high103 Ų103109.6 Ų109.648%0.48154%0.537SS..Hα-helixtrans-59.9-43.4174.1-69.3-170.6156.400111.6E308 A309 A314 Q315 Q316E308-E312 PolarHBondContact O-N 2.88Å; A309-E312 PolarHBondContact O-N 2.82Å; E312-A314 PolarHBondContact O-N 3.46Å; E312-Q315 PolarHBondContact O-N 3.08Å; E312-Q316 VanDerWaalsContact O-CG 3.32Å; E312-Q316 WeakPolarHBondContact O-CG 3.33Å; E312-Q316 PolarHBondContact O-N 2.82Å
313F93.7Very high90.3Very high136 Ų136110 Ų11060%0.59653%0.531SS*.Hα-helixtrans-64.1-39.1177.6-175.6-101.9000112.5A309 K311 Q316 L317A309-F313 WeakPolarHBondContact O-CB 3.28Å; A309-F313 PolarHBondContact O-N 3.46Å; K311-F313 VanDerWaalsContact C-N 3.34Å; K311-F313 PolarHBondContact O-N 3.49Å; F313-Q316 PolarHBondContact O-N 2.8Å; F313-L317 WeakPolarHBondContact O-CB 3.38Å; F313-L317 PolarHBondContact O-N 2.95Å
314A92.1Very high90.2Very high48 Ų48107.4 Ų107.440%0.39752%0.516SS..Hα-helixtrans-63.5-43.2174.600000112.1N310 K311 E312 L317 E318N310-A314 WeakPolarHBondContact O-CB 3.29Å; N310-A314 PolarHBondContact O-N 3.12Å; N310-A314 VanDerWaalsContact O-N 3.1Å; K311-A314 PolarHBondContact O-N 2.87Å; E312-A314 PolarHBondContact O-N 3.46Å; A314-L317 WeakPolarHBondContact O-CB 3.33Å; A314-L317 PolarHBondContact O-N 2.84Å; A314-E318 PolarHBondContact O-N 2.94Å; A314-E318 VanDerWaalsContact O-N 3.12Å
315Q91.5Very high90.1Very high120 Ų120106.7 Ų106.756%0.56152%0.517SS*.Hα-helixtrans-63.2-46.5175.9-70.6171.44.500111.8K311 E312 L317 E318 D319K311-Q315 WeakPolarHBondContact O-CG 3.44Å; K311-Q315 PolarHBondContact O-N 2.64Å; E312-Q315 PolarHBondContact O-N 3.08Å; Q315-L317 VanDerWaalsContact C-N 3.25Å; Q315-L317 PolarHBondContact O-N 3.24Å; Q315-E318 PolarHBondContact O-N 2.91Å; Q315-D319 PolarHBondContact O-N 2.86Å
316Q91.9Very high89.7Confident107 Ų107108.7 Ų108.750%0.552%0.521SS..Hα-helixtrans-60.5-34.4176.3-71.7171.617.400112.5E312 F313 L320E312-Q316 VanDerWaalsContact O-CG 3.32Å; E312-Q316 WeakPolarHBondContact O-CG 3.33Å; E312-Q316 PolarHBondContact O-N 2.82Å; F313-Q316 PolarHBondContact O-N 2.8Å; Q316-L320 WeakPolarHBondContact O-CB 3.28Å; Q316-L320 VanDerWaalsContact O-CG 3.24Å; Q316-L320 WeakPolarHBondContact O-CG 3.41Å; Q316-L320 PolarHBondContact O-N 2.91Å
317L92.8Very high88.6Confident77 Ų77105.2 Ų105.240%0.40352%0.519SS..Hα-helixtrans-68.4-35.3174.7-176.864.8000112.3F313 A314 Q315 K321F313-L317 WeakPolarHBondContact O-CB 3.38Å; F313-L317 PolarHBondContact O-N 2.95Å; A314-L317 WeakPolarHBondContact O-CB 3.33Å; A314-L317 PolarHBondContact O-N 2.84Å; Q315-L317 VanDerWaalsContact C-N 3.25Å; Q315-L317 PolarHBondContact O-N 3.24Å; L317-K321 HydrophobicContact CG-CD 4.4Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 WeakPolarHBondContact O-CD 3.14Å; L317-K321 WeakPolarHBondContact O-CG 3.37Å; L317-K321 PolarHBondContact O-N 2.72Å; L317-K321 VanDerWaalsContact O-N 3.13Å
318E90.7Very high87.2Confident132 Ų132105.4 Ų105.462%0.61752%0.517SS*.Hα-helixtrans-70-47.4174.4-70.6-179.1167.500111.4A314 Q315 L320 K321 E322A314-E318 PolarHBondContact O-N 2.94Å; A314-E318 VanDerWaalsContact O-N 3.12Å; Q315-E318 PolarHBondContact O-N 2.91Å; E318-L320 PolarHBondContact O-N 3.36Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 2.89Å; E318-K321 VanDerWaalsContact O-N 3.14Å; E318-E322 PolarHBondContact O-N 2.85Å
319D91.7Very high85.6Confident99 Ų99106.4 Ų106.453%0.52953%0.525SS..Hα-helixtrans-56.8-48175.9-74.2-28.2000111.6Q315 K321 E322 E323Q315-D319 PolarHBondContact O-N 2.86Å; D319-K321 VanDerWaalsContact C-N 3.33Å; D319-K321 PolarHBondContact O-N 2.88Å; D319-E322 CarbonylContact O-C 3.43Å; D319-E322 WeakPolarHBondContact O-CB 3.35Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.11Å; D319-E323 PolarHBondContact O-N 3.37Å
320L90Very high83.8Confident96 Ų96115 Ų11550%0.50356%0.563SS.*Hα-helixtrans-64.9-34.5177.3-73171.9000112.7Q316 E318 E322 E323 L324Q316-L320 WeakPolarHBondContact O-CB 3.28Å; Q316-L320 VanDerWaalsContact O-CG 3.24Å; Q316-L320 WeakPolarHBondContact O-CG 3.41Å; Q316-L320 PolarHBondContact O-N 2.91Å; E318-L320 PolarHBondContact O-N 3.36Å; L320-E322 VanDerWaalsContact C-N 3.34Å; L320-E323 PolarHBondContact O-N 2.8Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CG 3.24Å; L320-L324 PolarHBondContact O-N 2.83Å
321K90.9Very high81.6Confident116 Ų116112.1 Ų112.150%0.50456%0.559SS.*Hα-helixtrans-67.2-35.4172.5-79.2172.2179.6-178.30111.5L317 E318 D319 K325L317-K321 HydrophobicContact CG-CD 4.4Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 WeakPolarHBondContact O-CD 3.14Å; L317-K321 WeakPolarHBondContact O-CG 3.37Å; L317-K321 PolarHBondContact O-N 2.72Å; L317-K321 VanDerWaalsContact O-N 3.13Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 2.89Å; E318-K321 VanDerWaalsContact O-N 3.14Å; D319-K321 VanDerWaalsContact C-N 3.33Å; D319-K321 PolarHBondContact O-N 2.88Å; K321-K325 WeakPolarHBondContact O-CB 3.31Å; K321-K325 VanDerWaalsContact O-CG 3.27Å; K321-K325 WeakPolarHBondContact O-CG 3.34Å; K321-K325 PolarHBondContact O-N 3.27Å
322E89.4Confident79.3Confident102 Ų102115.8 Ų115.848%0.47758%0.579SS.*Hα-helixtrans-69.8-42.9172.2-73.1-154.4177.300112.8E318 D319 L320 L324 K325 K326E318-E322 PolarHBondContact O-N 2.85Å; D319-E322 CarbonylContact O-C 3.43Å; D319-E322 WeakPolarHBondContact O-CB 3.35Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.11Å; L320-E322 VanDerWaalsContact C-N 3.34Å; E322-L324 VanDerWaalsContact C-N 3.35Å; E322-K325 PolarHBondContact O-N 2.8Å; E322-K326 WeakPolarHBondContact O-CB 3.34Å; E322-K326 WeakPolarHBondContact O-CD 3.45Å; E322-K326 VanDerWaalsContact O-CG 3.27Å; E322-K326 WeakPolarHBondContact O-CG 3.3Å; E322-K326 PolarHBondContact O-N 3.17Å; E322-K326 IonicContact OE2-NZ 3.75Å; E322-K326 PolarHBondContact OE2-NZ 3.33Å
323E87.3Confident76.6Confident125 Ų125115 Ų11558%0.58459%0.589SS**Hα-helixtrans-60.7-43.6175.6-73.3-170.9165.900111.3D319 L320 K325 K326 A327D319-E323 PolarHBondContact O-N 3.37Å; L320-E323 PolarHBondContact O-N 2.8Å; E323-K325 PolarHBondContact O-N 3.4Å; E323-K326 PolarHBondContact O-N 3.27Å; E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 3.07Å
324L83Confident74.4Confident104 Ų104120.6 Ų120.655%0.54561%0.607SS.*Hα-helixtrans-62.9-38.4173.4-76.2169.6000112.4L320 E322 A327 K328L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CG 3.24Å; L320-L324 PolarHBondContact O-N 2.83Å; E322-L324 VanDerWaalsContact C-N 3.35Å; L324-A327 PolarHBondContact O-N 2.86Å; L324-K328 VanDerWaalsContact O-CB 3.24Å; L324-K328 WeakPolarHBondContact O-CB 3.44Å; L324-K328 VanDerWaalsContact O-CG 3.25Å; L324-K328 WeakPolarHBondContact O-CG 3.46Å; L324-K328 PolarHBondContact O-N 3.14Å
325K83.7Confident72.2Confident148 Ų148127.1 Ų127.164%0.64363%0.629SS**Hα-helixtrans-66.2-40.5173.7-77171.1-178.7177.40112.2K321 E322 E323 I329K321-K325 WeakPolarHBondContact O-CB 3.31Å; K321-K325 VanDerWaalsContact O-CG 3.27Å; K321-K325 WeakPolarHBondContact O-CG 3.34Å; K321-K325 PolarHBondContact O-N 3.27Å; E322-K325 PolarHBondContact O-N 2.8Å; E323-K325 PolarHBondContact O-N 3.4Å; K325-I329 WeakPolarHBondContact O-CD1 3.42Å; K325-I329 WeakPolarHBondContact O-CG1 3.34Å
326K79.8Confident69.7Low128 Ų128129.3 Ų129.356%0.55764%0.639SS**Hα-helixtrans-65.4-40.8176.3-70.9157.7-172156.30110.9E322 E323E322-K326 WeakPolarHBondContact O-CB 3.34Å; E322-K326 WeakPolarHBondContact O-CD 3.45Å; E322-K326 VanDerWaalsContact O-CG 3.27Å; E322-K326 WeakPolarHBondContact O-CG 3.3Å; E322-K326 PolarHBondContact O-N 3.17Å; E322-K326 IonicContact OE2-NZ 3.75Å; E322-K326 PolarHBondContact OE2-NZ 3.33Å; E323-K326 PolarHBondContact O-N 3.27Å
327A67.9Low67.3Low69 Ų69130.6 Ų130.657%0.5765%0.654SS**Hα-helixtrans-73.3-36177.400000113.8E323 L324 I329 E330E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 3.07Å; L324-A327 PolarHBondContact O-N 2.86Å; A327-I329 PolarHBondContact O-N 2.99Å; A327-I329 VanDerWaalsContact O-N 3.12Å; A327-E330 PolarHBondContact O-N 2.92Å
328K61Low64.9Low136 Ų136135.1 Ų135.159%0.59167%0.674SS**THydrogen-bonded Turntrans-70.41.7177.9-76.6-177.1175.3-168.40114.1L324 E336L324-K328 VanDerWaalsContact O-CB 3.24Å; L324-K328 WeakPolarHBondContact O-CB 3.44Å; L324-K328 VanDerWaalsContact O-CG 3.25Å; L324-K328 WeakPolarHBondContact O-CG 3.46Å; L324-K328 PolarHBondContact O-N 3.14Å; K328-E336 IonicContact NZ-OE2 3.24Å; K328-E336 PolarHBondContact NZ-OE2 3.05Å
329I55.2Low62.3Low143 Ų143137.5 Ų137.573%0.73369%0.685SS**THydrogen-bonded Turntrans-95.6-13.5177.8-70.6168000113K325 A327K325-I329 WeakPolarHBondContact O-CD1 3.42Å; K325-I329 WeakPolarHBondContact O-CG1 3.34Å; A327-I329 PolarHBondContact O-N 2.99Å; A327-I329 VanDerWaalsContact O-N 3.12Å
330E54Low59.7Low195 Ų195136.8 Ų136.891%0.91169%0.692SS**SBendtrans-10911.5177-64.2-169.1158.600114A327A327-E330 PolarHBondContact O-N 2.92Å
331G43.2Very low57.4Low51 Ų51140 Ų14053%0.52671%0.71SS.*SBendtrans-142.4130.7179.700000112.9
332E43Very low55.1Low197 Ų197143.3 Ų143.392%0.92173%0.727SS**  trans-66.8128.6-167.8-62.6174.113200114.6
333A35.7Very low52.6Low86 Ų86145.9 Ų145.971%0.71174%0.744SS**  trans28.6111.5147.700000120.3
334R47.3Very low50.5Low254 Ų254143.6 Ų143.696%0.95875%0.747SS**  -161146.2122.8-99.9145.3-159.6-149.84111.3
335E46.7Very low48.1Very low184 Ų184148.1 Ų148.186%0.8676%0.762SS**  trans-79.8145.1-170.9-65160.1127.900112.4
336E39.3Very low45.7Very low166 Ų166145.3 Ų145.378%0.77677%0.767SS**  trans-121.5119.3159.8-69.7171137.300105.9K328K328-E336 IonicContact NZ-OE2 3.24Å; K328-E336 PolarHBondContact NZ-OE2 3.05Å
337T41.2Very low43.6Very low134 Ų134143.9 Ų143.982%0.82278%0.778SS**  trans-117.4125.1173.8-51.20000108
338E41Very low42.1Very low173 Ų173145.3 Ų145.381%0.80879%0.785SS**  trans-91.1166.8-176.3-62.2177.7131.700112.5
339E37.9Very low41.1Very low182 Ų182144.9 Ų144.985%0.8579%0.793SS**  trans86.5116.5155.3-53.2-144.1146.100121.5
340A36.9Very low40.1Very low83 Ų83146.9 Ų146.969%0.68680%0.799SS**  99.8136.2125.200000121.8
341D40.8Very low39.2Very low163 Ų163140.8 Ų140.887%0.87279%0.788SS**  trans81.9145.4153.7-61.2-14.1000122
342E42.6Very low38.9Very low187 Ų187147.5 Ų147.587%0.87481%0.806SS**  trans-87.5159.7-157.9-53.3177.2148.700113
343N36.7Very low38.4Very low155 Ų155142.4 Ų142.483%0.82980%0.798SS**  135.6141.8122.1-155.9-0.2000115.2
344A42.9Very low38.6Very low77 Ų77146.7 Ų146.764%0.63681%0.809SS**  trans59.798.3157.500000121.8
345K34.3Very low38Very low199 Ų199138.6 Ų138.687%0.86580%0.796SS**  77.491.4111.5-163.8177.9-179.4-178.40120.4
346A33.4Very low37.9Very low90 Ų90137.8 Ų137.874%0.74480%0.797SS**  64.4127.1122.600000122.7
347A35.5Very low37.8Very low97 Ų97139.1 Ų139.180%0.80280%0.803SS**  trans73.7145.8152.100000118.1
348S36.4Very low37.9Very low100 Ų100137 Ų13770%0.69980%0.8SS**  cis-177.4155.9-19.552.80000109.3
349V38.8Very low38.2Very low126 Ų126133.5 Ų133.576%0.76480%0.795SS**  trans71.499.5155.3167.60000115.5
350E34.9Very low38.6Very low186 Ų186130.2 Ų130.287%0.86980%0.799SS**  90.5132.896.2-73.4-79.9169.100113.3
351G33.9Very low39.7Very low66 Ų66134.5 Ų134.568%0.6880%0.802SS**  trans154.7134.8167.700000116.1
352E37.1Very low40.7Very low193 Ų193132.8 Ų132.890%0.90280%0.8SS**  trans73.988.3163.3-54.4-172.2170.400116.6
353A34.2Very low41.6Very low90 Ų90128.7 Ų128.774%0.74479%0.79SS**  69.6117.768.400000114.6
354N38.3Very low43.3Very low176 Ų176130.4 Ų130.494%0.94179%0.79SS**  trans-156.2143.9136.4-105.3-53.4000111.3
355A34.6Very low45.2Very low83 Ų83131.4 Ų131.469%0.68678%0.778SS**  trans-87.3159.2-17000000112.7
356N44.7Very low47.2Very low167 Ų167124.6 Ų124.689%0.89375%0.752SS**  -158.4122.1129-98.5-32.1000110.9
357E38.8Very low49.5Very low194 Ų194127.3 Ų127.391%0.90775%0.747SS**  trans-69.4137.1167.8-57.5169.8107.900109.9
358A42.8Very low51.5Low91 Ų91131.1 Ų131.175%0.75275%0.748SS**  trans-168.6118.4146.600000112.7
359S47.1Very low53.4Low99 Ų99134 Ų13469%0.69275%0.748SS**  trans5989.7161.465.90000118.1K361S359-K361 VanDerWaalsContact C-N 3.31Å; S359-K361 PolarHBondContact O-N 2.85Å
360A46.4Very low55.2Low113 Ų113129.1 Ų129.193%0.93472%0.72SS**  trans-64.989.5154.900000110.6
361K58.7Low56.7Low173 Ų173127.2 Ų127.275%0.75271%0.709SS**  trans-108.4129155.9-69.6176-177.8171.10106.8S359 C363S359-K361 VanDerWaalsContact C-N 3.31Å; S359-K361 PolarHBondContact O-N 2.85Å; K361-C363 PolarHBondContact O-N 3.48Å
362P63.1Low58.2Low127 Ų127131.2 Ų131.283%0.82571%0.707SS**  trans-62116.9176.825.6-32.6000108.8F364P362-F364 PolarHBondContact O-N 2.91Å; P362-F364 VanDerWaalsContact O-N 3.1Å
363C60.3Low59.9Low100 Ų100125.3 Ų125.368%0.67668%0.682SS**  trans-61.2113178.2177.10000109.2K361 D366K361-C363 PolarHBondContact O-N 3.48Å; C363-D366 PolarHBondContact SG-OD1 3.15Å
364F72.2Confident61.5Low191 Ų191126.5 Ų126.584%0.83868%0.676SS**  trans-107.3107.5178.8177-94.4000108.9P362P362-F364 PolarHBondContact O-N 2.91Å; P362-F364 VanDerWaalsContact O-N 3.1Å
365Y83.1Confident62.9Low98 Ų98122.2 Ų122.238%0.38465%0.652SS.*  trans43.175.1170.3-158.3-104.4000116.2K367 D373Y365-K367 HydrophobicContact CD1-CG 4.26Å; Y365-K367 HydrophobicContact CE1-CG 4.28Å; Y365-K367 PolarHBondContact O-N 3.38Å; Y365-K367 VanDerWaalsContact O-N 3.17Å; Y365-D373 VanDerWaalsContact CE1-CG 3.5Å; Y365-D373 WeakPolarHBondContact CE1-OD1 3.11Å; Y365-D373 VanDerWaalsContact CE1-OD2 3.28Å; Y365-D373 WeakPolarHBondContact CE1-OD2 3.36Å; Y365-D373 PolarHBondContact OH-N 3.09Å; Y365-D373 PolarHBondContact OH-OD1 2.63Å
366D77.4Confident64.1Low57 Ų57121.9 Ų121.931%0.30565%0.645SS.*  trans-68.7105.6168.8-81.34.1000109.9C363 E368 K369 S370C363-D366 PolarHBondContact SG-OD1 3.15Å; D366-E368 PolarHBondContact O-N 2.89Å; D366-K369 HydrophobicContact CB-CB 3.97Å; D366-K369 HydrophobicContact CB-CD 4.27Å; D366-K369 HydrophobicContact CB-CG 4.21Å; D366-K369 PolarHBondContact O-N 3Å; D366-K369 VanDerWaalsContact O-N 3.09Å; D366-K369 WeakPolarHBondContact OD2-CD 3.41Å; D366-K369 WeakPolarHBondContact OD2-CE 3.47Å; D366-K369 IonicContact OD2-NZ 2.64Å; D366-K369 PolarHBondContact OD2-NZ 3.06Å; D366-S370 WeakPolarHBondContact O-CB 3.43Å; D366-S370 PolarHBondContact O-N 2.89Å; D366-S370 PolarHBondContact O-OG 2.83Å
367K81.5Confident64.5Low147 Ų147119.1 Ų119.164%0.63964%0.638SS**THydrogen-bonded Turntrans-56.7-35.3-178.2-59.8-163.6179.1-175.10114.3Y365 K369 D373Y365-K367 HydrophobicContact CD1-CG 4.26Å; Y365-K367 HydrophobicContact CE1-CG 4.28Å; Y365-K367 PolarHBondContact O-N 3.38Å; Y365-K367 VanDerWaalsContact O-N 3.17Å; K367-K369 VanDerWaalsContact C-N 3.33Å; K367-D373 VanDerWaalsContact CA-OD2 3.27Å; K367-D373 WeakPolarHBondContact CA-OD2 3.46Å; K367-D373 WeakPolarHBondContact CB-OD2 3.37Å; K367-D373 WeakPolarHBondContact CG-OD2 3.39Å
368E78.2Confident65.2Low176 Ų176117.4 Ų117.482%0.82263%0.634SS**THydrogen-bonded Turntrans-78.1-18.3-177.9-62.4173.3175.900113D366D366-E368 PolarHBondContact O-N 2.89Å
369K75.8Confident65.7Low160 Ų160116 Ų11670%0.69663%0.629SS**THydrogen-bonded Turntrans-117.9-15.6-175.8-53.8-179.9-160.81440113.6D366 K367 F371D366-K369 HydrophobicContact CB-CB 3.97Å; D366-K369 HydrophobicContact CB-CD 4.27Å; D366-K369 HydrophobicContact CB-CG 4.21Å; D366-K369 PolarHBondContact O-N 3Å; D366-K369 VanDerWaalsContact O-N 3.09Å; D366-K369 WeakPolarHBondContact OD2-CD 3.41Å; D366-K369 WeakPolarHBondContact OD2-CE 3.47Å; D366-K369 IonicContact OD2-NZ 2.64Å; D366-K369 PolarHBondContact OD2-NZ 3.06Å; K367-K369 VanDerWaalsContact C-N 3.33Å; K369-F371 PolarHBondContact O-N 3.35Å
370S75.4Confident66Low25 Ų25114.1 Ų114.118%0.17562%0.616CS.*  trans-78.4119.9-176.6-64.70000110.4D366 F372 D373D366-S370 WeakPolarHBondContact O-CB 3.43Å; D366-S370 PolarHBondContact O-N 2.89Å; D366-S370 PolarHBondContact O-OG 2.83Å; S370-F372 PolarHBondContact O-N 2.73Å; S370-D373 PolarHBondContact O-N 3.12Å; S370-D373 VanDerWaalsContact O-N 3.12Å
371F67.8Low66.3Low146 Ų146113.7 Ų113.764%0.6459%0.594SS**Hα-helixtrans-44.5-36.3176-179.7-112000113.6K369 I375K369-F371 PolarHBondContact O-N 3.35Å; F371-I375 HydrophobicContact CD1-CD1 3.59Å; F371-I375 HydrophobicContact CD2-CD1 4.2Å; F371-I375 HydrophobicContact CE1-CD1 3.37Å; F371-I375 HydrophobicContact CE2-CD1 4Å; F371-I375 HydrophobicContact CG-CD1 4.01Å; F371-I375 HydrophobicContact CZ-CD1 3.6Å; F371-I375 VanDerWaalsContact O-CD1 3.3Å; F371-I375 WeakPolarHBondContact O-CD1 3.42Å; F371-I375 VanDerWaalsContact O-CG1 3.25Å; F371-I375 WeakPolarHBondContact O-CG1 3.43Å; F371-I375 PolarHBondContact O-N 2.91Å
372F64.8Low66Low149 Ų149111.1 Ų111.165%0.65459%0.594SS**Hα-helixtrans-84.7-9.8-173.8-65.4-76.8000116.4S370 I375S370-F372 PolarHBondContact O-N 2.73Å; F372-I375 HydrophobicContact CD1-CD1 4.39Å
373D73.4Confident65.5Low70 Ų70110.9 Ų110.937%0.37459%0.59SS.*Hα-helixtrans-88.2-34171.4-100.35.1000111.6Y365 K367 S370 I375Y365-D373 VanDerWaalsContact CE1-CG 3.5Å; Y365-D373 WeakPolarHBondContact CE1-OD1 3.11Å; Y365-D373 VanDerWaalsContact CE1-OD2 3.28Å; Y365-D373 WeakPolarHBondContact CE1-OD2 3.36Å; Y365-D373 PolarHBondContact OH-N 3.09Å; Y365-D373 PolarHBondContact OH-OD1 2.63Å; K367-D373 VanDerWaalsContact CA-OD2 3.27Å; K367-D373 WeakPolarHBondContact CA-OD2 3.46Å; K367-D373 WeakPolarHBondContact CB-OD2 3.37Å; K367-D373 WeakPolarHBondContact CG-OD2 3.39Å; S370-D373 PolarHBondContact O-N 3.12Å; S370-D373 VanDerWaalsContact O-N 3.12Å; D373-I375 VanDerWaalsContact C-N 3.32Å
374N67.5Low65.2Low114 Ų114111.3 Ų111.361%0.6159%0.589SS**Hα-helixtrans-76.9-19.5177.1-68.3-30.6000112.8S376N374-S376 PolarHBondContact O-N 3.05Å; N374-S376 VanDerWaalsContact O-N 3.12Å
375I67Low64.3Low86 Ų86106.1 Ų106.144%0.44159%0.59SS.*SBendtrans-77.596.4168-65.3163.9000107.3F371 F372 D373 C377F371-I375 HydrophobicContact CD1-CD1 3.59Å; F371-I375 HydrophobicContact CD2-CD1 4.2Å; F371-I375 HydrophobicContact CE1-CD1 3.37Å; F371-I375 HydrophobicContact CE2-CD1 4Å; F371-I375 HydrophobicContact CG-CD1 4.01Å; F371-I375 HydrophobicContact CZ-CD1 3.6Å; F371-I375 VanDerWaalsContact O-CD1 3.3Å; F371-I375 WeakPolarHBondContact O-CD1 3.42Å; F371-I375 VanDerWaalsContact O-CG1 3.25Å; F371-I375 WeakPolarHBondContact O-CG1 3.43Å; F371-I375 PolarHBondContact O-N 2.91Å; F372-I375 HydrophobicContact CD1-CD1 4.39Å; D373-I375 VanDerWaalsContact C-N 3.32Å; I375-C377 PolarHBondContact O-N 3.27Å; I375-C377 VanDerWaalsContact O-N 3.15Å
376S59.6Low62.9Low77 Ų77105.1 Ų105.154%0.53860%0.602SS.*  trans-52.3121.1-178.3-70.20000111.1N374 D378N374-S376 PolarHBondContact O-N 3.05Å; N374-S376 VanDerWaalsContact O-N 3.12Å; S376-D378 PolarHBondContact O-N 2.9Å
377C54.5Low61.9Low109 Ų109109.8 Ų109.874%0.73663%0.627SS**  trans-53.6130164.9-82.80000109.1I375 G379 S380I375-C377 PolarHBondContact O-N 3.27Å; I375-C377 VanDerWaalsContact O-N 3.15Å; C377-G379 PolarHBondContact O-N 2.95Å; C377-S380 PolarHBondContact O-N 3.14Å
378D51.7Low60.8Low157 Ų157112.4 Ų112.484%0.8463%0.633SS**THydrogen-bonded Turntrans-68.545.8-168.5-157.43000114S376S376-D378 PolarHBondContact O-N 2.9Å
379G55.1Low60.3Low62 Ų62109.5 Ų109.564%0.63962%0.621SS**THydrogen-bonded Turntrans-160.5-7.7-168.300000116.3C377C377-G379 PolarHBondContact O-N 2.95Å
380S51.6Low60Low59 Ų59106.7 Ų106.741%0.41361%0.613SS.*SBendtrans-101.2-10.9174.857.30000114.7C377 T382 T383C377-S380 PolarHBondContact O-N 3.14Å; S380-T382 PolarHBondContact O-N 2.73Å; S380-T383 PolarHBondContact O-N 3.14Å; S380-T383 VanDerWaalsContact O-N 3.17Å; S380-T383 PolarHBondContact O-OG1 2.64Å
381E54.3Low60Low104 Ų104113 Ų11349%0.48664%0.635SS.*THydrogen-bonded Turntrans-60.1-13-178.3-62.1-170.2155.800114.8T383E381-T383 VanDerWaalsContact C-N 3.31Å; E381-T383 PolarHBondContact O-N 3.2Å
382T52.3Low60.6Low120 Ų120112.6 Ų112.674%0.73663%0.632SS**THydrogen-bonded Turntrans-72.2-18177.2460000114.2S380S380-T382 PolarHBondContact O-N 2.73Å
383T51.6Low61.4Low122 Ų122108.6 Ų108.675%0.74862%0.62SS**THydrogen-bonded Turntrans-95.4-20.5179.251.10000114.3S380 E381S380-T383 PolarHBondContact O-N 3.14Å; S380-T383 VanDerWaalsContact O-N 3.17Å; S380-T383 PolarHBondContact O-OG1 2.64Å; E381-T383 VanDerWaalsContact C-N 3.31Å; E381-T383 PolarHBondContact O-N 3.2Å
384T55.1Low61.8Low108 Ų108109.8 Ų109.866%0.66362%0.623SS**SBendtrans-11119.4-166.4-20.80000113.9A386T384-A386 PolarHBondContact O-N 3.03Å
385G53.1Low62.5Low82 Ų82112.4 Ų112.485%0.84563%0.625SS**  trans63.6-4.9156.500000119
386A53.5Low63.3Low78 Ų78113.5 Ų113.565%0.64563%0.628SS**  trans-96.8123.4-16700000113.3T384 R388T384-A386 PolarHBondContact O-N 3.03Å; A386-R388 PolarHBondContact O-N 2.92Å
387N57.3Low64.5Low155 Ų155114.3 Ų114.383%0.82963%0.626SS**  trans6623.9151.1-14114.9000120.6M389N387-M389 PolarHBondContact O-N 3.42Å
388R57.3Low65.7Low202 Ų202112.2 Ų112.276%0.76261%0.607SS**  trans-73.6101.6145.2-71.7-163.5-177.9-164.50.5108.4A386 N390A386-R388 PolarHBondContact O-N 2.92Å; R388-N390 PolarHBondContact O-N 3.46Å; R388-N390 VanDerWaalsContact O-N 3.14Å
389M68Low67.2Low114 Ų114109.4 Ų109.456%0.56259%0.589SS**  trans-51.7123.9176.560.617465.300109.8N387 E394N387-M389 PolarHBondContact O-N 3.42Å; M389-E394 HydrophobicContact CG-CB 4.44Å; M389-E394 HydrophobicContact SD-CB 4.06Å; M389-E394 HydrophobicContact SD-CG 3.83Å
390N68.7Low68.5Low102 Ų102112.7 Ų112.755%0.54559%0.59SS.*  trans-69.4143.8-173.2-160.5-24.9000108.4R388 K392 T393 E394R388-N390 PolarHBondContact O-N 3.46Å; R388-N390 VanDerWaalsContact O-N 3.14Å; N390-K392 CarbonylContact O-C 3.6Å; N390-K392 PolarHBondContact O-N 3.17Å; N390-T393 HydrophobicContact CB-CG2 4.43Å; N390-T393 PolarHBondContact N-OG1 2.78Å; N390-T393 VanDerWaalsContact N-OG1 3.14Å; N390-T393 PolarHBondContact O-N 3.35Å; N390-T393 PolarHBondContact O-OG1 3.04Å; N390-E394 PolarHBondContact O-N 3.29Å
391Y75.6Confident69.9Low158 Ų158114.4 Ų114.462%0.6260%0.599SS**Hα-helixtrans-55-25-175.586.9-84.8000112.9R395Y391-R395 VanDerWaalsContact O-CB 3.28Å; Y391-R395 WeakPolarHBondContact O-CB 3.4Å; Y391-R395 PolarHBondContact O-N 3.04Å; Y391-R395 VanDerWaalsContact O-N 3.07Å
392K80.7Confident71.1Confident136 Ų136117.2 Ų117.259%0.59161%0.61SS**Hα-helixtrans-70.8-46.9174.1-169.2-172.9175-163.80112.1N390 R395 E396N390-K392 CarbonylContact O-C 3.6Å; N390-K392 PolarHBondContact O-N 3.17Å; K392-R395 PolarHBondContact O-N 2.89Å; K392-E396 WeakPolarHBondContact O-CB 3.46Å; K392-E396 PolarHBondContact O-N 2.94Å
393T82.5Confident72.2Confident66 Ų66113.1 Ų113.141%0.40559%0.591SS.*Hα-helixtrans-68.9-39.3178.360.30000110.8N390 R395 E396 L397N390-T393 HydrophobicContact CB-CG2 4.43Å; N390-T393 PolarHBondContact N-OG1 2.78Å; N390-T393 VanDerWaalsContact N-OG1 3.14Å; N390-T393 PolarHBondContact O-N 3.35Å; N390-T393 PolarHBondContact O-OG1 3.04Å; T393-R395 PolarHBondContact O-N 2.72Å; T393-E396 PolarHBondContact O-N 3.12Å; T393-L397 WeakPolarHBondContact O-CG 3.34Å; T393-L397 PolarHBondContact O-N 3.17Å
394E81.6Confident73.1Confident94 Ų94113.5 Ų113.544%0.43959%0.587SS.*Hα-helixtrans-61.5-41.9172.7-164.4-154.1145.900111.5M389 N390 E396 N398M389-E394 HydrophobicContact CG-CB 4.44Å; M389-E394 HydrophobicContact SD-CB 4.06Å; M389-E394 HydrophobicContact SD-CG 3.83Å; N390-E394 PolarHBondContact O-N 3.29Å; E394-E396 VanDerWaalsContact C-N 3.32Å; E394-E396 PolarHBondContact O-N 3.41Å; E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.3Å; E394-N398 VanDerWaalsContact O-CG 3.29Å; E394-N398 PolarHBondContact O-N 3.03Å; E394-N398 PolarHBondContact O-ND2 3.29Å; E394-N398 PolarHBondContact OE1-ND2 3.15Å
395R82.7Confident73.6Confident170 Ų170112.5 Ų112.564%0.64258%0.582SS**Hα-helixtrans-63.9-37.6174.7-178.9-178.8-65.7-1651112.4Y391 K392 T393 N398 H399Y391-R395 VanDerWaalsContact O-CB 3.28Å; Y391-R395 WeakPolarHBondContact O-CB 3.4Å; Y391-R395 PolarHBondContact O-N 3.04Å; Y391-R395 VanDerWaalsContact O-N 3.07Å; K392-R395 PolarHBondContact O-N 2.89Å; T393-R395 PolarHBondContact O-N 2.72Å; R395-N398 PolarHBondContact O-N 3.39Å; R395-H399 WeakPolarHBondContact O-CB 3.16Å; R395-H399 PolarHBondContact O-N 3.36Å
396E83.3Confident73.9Confident108 Ų108113.5 Ų113.551%0.50558%0.583SS.*Hα-helixtrans-70.6-45.4-179.6-169.6144.4-152.100111.3K392 T393 E394 N398 H399 I400K392-E396 WeakPolarHBondContact O-CB 3.46Å; K392-E396 PolarHBondContact O-N 2.94Å; T393-E396 PolarHBondContact O-N 3.12Å; E394-E396 VanDerWaalsContact C-N 3.32Å; E394-E396 PolarHBondContact O-N 3.41Å; E396-N398 PolarHBondContact O-N 3.41Å; E396-H399 WeakPolarHBondContact O-CB 3.42Å; E396-H399 PolarHBondContact O-N 3.12Å; E396-I400 HydrophobicContact CG-CD1 4.27Å; E396-I400 WeakPolarHBondContact O-CG1 3.38Å; E396-I400 PolarHBondContact O-N 3.43Å
397L84.4Confident73.9Confident94 Ų94113.4 Ų113.449%0.49259%0.59SS.*Hα-helixtrans-57.4-47.5168.6-68.9173.3000111.3T393 H399 I400 T401T393-L397 WeakPolarHBondContact O-CG 3.34Å; T393-L397 PolarHBondContact O-N 3.17Å; L397-H399 VanDerWaalsContact C-N 3.28Å; L397-H399 PolarHBondContact O-N 2.99Å; L397-I400 PolarHBondContact O-N 2.79Å; L397-I400 VanDerWaalsContact O-N 3.14Å; L397-T401 WeakPolarHBondContact O-CB 2.91Å; L397-T401 PolarHBondContact O-N 2.7Å; L397-T401 PolarHBondContact O-OG1 3.45Å
398N80.4Confident73.7Confident65 Ų65114.1 Ų114.135%0.34858%0.581SS.*Hα-helixtrans-60.2-35.5176.7-81.7-56000113.2E394 R395 E396 F402E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.3Å; E394-N398 VanDerWaalsContact O-CG 3.29Å; E394-N398 PolarHBondContact O-N 3.03Å; E394-N398 PolarHBondContact O-ND2 3.29Å; E394-N398 PolarHBondContact OE1-ND2 3.15Å; R395-N398 PolarHBondContact O-N 3.39Å; E396-N398 PolarHBondContact O-N 3.41Å; N398-F402 HydrophobicContact CB-CD2 4.45Å; N398-F402 WeakPolarHBondContact O-CB 3.25Å; N398-F402 PolarHBondContact O-N 2.71Å; N398-F402 WeakPolarHBondContact OD1-CE2 3.4Å
399H81.5Confident73.1Confident99 Ų99111.6 Ų111.646%0.45858%0.582SS.*Hα-helixtrans-67.6-44.7174.3179-172000110.8R395 E396 L397 G403 I404R395-H399 WeakPolarHBondContact O-CB 3.16Å; R395-H399 PolarHBondContact O-N 3.36Å; E396-H399 WeakPolarHBondContact O-CB 3.42Å; E396-H399 PolarHBondContact O-N 3.12Å; L397-H399 VanDerWaalsContact C-N 3.28Å; L397-H399 PolarHBondContact O-N 2.99Å; H399-G403 CarbonylContact O-C 3.58Å; H399-G403 WeakPolarHBondContact O-CA 3.19Å; H399-G403 PolarHBondContact O-N 3.09Å; H399-I404 VanDerWaalsContact CD2-CG1 3.44Å; H399-I404 WeakPolarHBondContact CD2-CG1 3.12Å; H399-I404 WeakPolarHBondContact NE2-CG1 3.27Å
400I84.2Confident71.9Confident130 Ų130115.4 Ų115.467%0.66759%0.592SS**Hα-helixtrans-66-42.8178.1-65.7163.1000111.2E396 L397E396-I400 HydrophobicContact CG-CD1 4.27Å; E396-I400 WeakPolarHBondContact O-CG1 3.38Å; E396-I400 PolarHBondContact O-N 3.43Å; L397-I400 PolarHBondContact O-N 2.79Å; L397-I400 VanDerWaalsContact O-N 3.14Å
401T79.1Confident70.7Confident95 Ų95113.9 Ų113.958%0.58360%0.6SS**Hα-helixtrans-79.3-40.8-175.4-56.20000113.9L397L397-T401 WeakPolarHBondContact O-CB 2.91Å; L397-T401 PolarHBondContact O-N 2.7Å; L397-T401 PolarHBondContact O-OG1 3.45Å
402F80.4Confident69Low164 Ų164109.2 Ų109.272%0.71960%0.6SS**Hα-helixtrans-112.70.5-173.2-57.7-70.6000114.1N398N398-F402 HydrophobicContact CB-CD2 4.45Å; N398-F402 WeakPolarHBondContact O-CB 3.25Å; N398-F402 PolarHBondContact O-N 2.71Å; N398-F402 WeakPolarHBondContact OD1-CE2 3.4Å
403G75Confident67.3Low34 Ų34115 Ų11535%0.35162%0.618SS.*  trans72.3175-172.400000113.1H399 P405H399-G403 CarbonylContact O-C 3.58Å; H399-G403 WeakPolarHBondContact O-CA 3.19Å; H399-G403 PolarHBondContact O-N 3.09Å; G403-P405 VanDerWaalsContact O-CD 3.28Å; G403-P405 WeakPolarHBondContact O-CD 3.28Å
404I71.2Confident65.6Low130 Ų130122.3 Ų122.367%0.66764%0.638SS**  trans-67.1120.6172-56.6176.2000108.4H399 A406H399-I404 VanDerWaalsContact CD2-CG1 3.44Å; H399-I404 WeakPolarHBondContact CD2-CG1 3.12Å; H399-I404 WeakPolarHBondContact NE2-CG1 3.27Å; I404-A406 PolarHBondContact O-N 3.21Å
405P66.3Low63.8Low86 Ų86124.4 Ų124.456%0.55865%0.65SS**  trans-69.496.2174.728.3-34.1000109.9G403 G407 R408G403-P405 VanDerWaalsContact O-CD 3.28Å; G403-P405 WeakPolarHBondContact O-CD 3.28Å; P405-G407 PolarHBondContact O-N 2.73Å; P405-G407 VanDerWaalsContact O-N 3.12Å; P405-R408 PolarHBondContact O-N 2.59Å
406A58.1Low62.1Low104 Ų104126 Ų12686%0.8666%0.656SS**THydrogen-bonded Turntrans-50.9119.1176.500000110.5I404I404-A406 PolarHBondContact O-N 3.21Å
407G54.8Low60Low76 Ų76124.6 Ų124.678%0.78466%0.663SS**THydrogen-bonded Turntrans102.5-4.5172.600000117.3P405 N409P405-G407 PolarHBondContact O-N 2.73Å; P405-G407 VanDerWaalsContact O-N 3.12Å; G407-N409 PolarHBondContact O-N 3.17Å
408R52.8Low58.1Low170 Ų170131.7 Ų131.764%0.64268%0.683SS**  trans-91.369.1170.6-64-158.9-158.7-177.415.2113P405 Y410P405-R408 PolarHBondContact O-N 2.59Å; R408-Y410 HydrophobicContact CB-CD2 3.89Å; R408-Y410 HydrophobicContact CB-CE2 3.8Å; R408-Y410 HydrophobicContact CG-CE2 4.28Å; R408-Y410 PolarHBondContact NH1-OH 3.1Å; R408-Y410 PolarHBondContact O-N 3.46Å
409N43.4Very low56.2Low148 Ų148133.8 Ų133.879%0.79170%0.703SS**  trans-6583.4161-78.5-8000109.9G407 G411G407-N409 PolarHBondContact O-N 3.17Å; N409-G411 PolarHBondContact O-N 3.07Å
410Y44.1Very low54.6Low195 Ų195136.9 Ų136.977%0.76572%0.717SS**SBendtrans-69.865.2165.9-80.7-82.3000110R408R408-Y410 HydrophobicContact CB-CD2 3.89Å; R408-Y410 HydrophobicContact CB-CE2 3.8Å; R408-Y410 HydrophobicContact CG-CE2 4.28Å; R408-Y410 PolarHBondContact NH1-OH 3.1Å; R408-Y410 PolarHBondContact O-N 3.46Å
411G42.8Very low52.7Low70 Ų70136.1 Ų136.172%0.72272%0.719SS**SBendtrans164.764.6-17100000111.7N409N409-G411 PolarHBondContact O-N 3.07Å
412G40.5Very low50.9Low60 Ų60136.2 Ų136.262%0.61972%0.72SS**  trans-162-19.5-177.900000117.9R414G412-R414 PolarHBondContact O-N 2.9Å
413R45Very low49.1Very low258 Ų258136.2 Ų136.297%0.97472%0.722SS**  trans-80.958.4-179.6-73.1-101.6-94.3-111-6112.7
414R46.5Very low47.7Very low218 Ų218146.7 Ų146.782%0.82375%0.75SS**  trans-141.3126.3165.9-71.1-173.5178167.80.7110G412G412-R414 PolarHBondContact O-N 2.9Å
415M44.1Very low46.3Very low139 Ų139144 Ų14469%0.68576%0.755SS**  trans75.7147.5166.3-46.6-47171.500116.9
416R46.1Very low45.1Very low202 Ų202147.1 Ų147.176%0.76277%0.767SS**  cis-172.4147.6-33-120.3173.6-178.2141.5-5108.2
417A40.2Very low44.4Very low79 Ų79150.2 Ų150.265%0.65377%0.769SS**  trans64111.914400000121.5
418R42.7Very low43.8Very low244 Ų244155.4 Ų155.492%0.92177%0.773SS**  55.3103.4108.5-163.7-175.6-160.3168.55.9118.6
419S41.9Very low43.3Very low108 Ų108151.4 Ų151.476%0.75578%0.784SS**  trans-148.9106.3146-167.80000106.7
420Q47.6Very low43Very low164 Ų164147.8 Ų147.877%0.76678%0.782SS**  78.9128.282.3-109.4-178.56.800113.7
421T44.9Very low42.9Very low115 Ų115148 Ų14871%0.70679%0.79SS**  trans75.5129.1143.6-49.10000115.9
422T41.4Very low42.6Very low97 Ų97151.1 Ų151.160%0.59580%0.795SS**  cis-168.8173.3-3.723.10000110.9
423H42.3Very low42.7Very low164 Ų164155.5 Ų155.576%0.75981%0.81SS**  trans86.7146.4151.3-53.1-52.9000121.9
424R44.4Very low42.5Very low253 Ų253146.2 Ų146.296%0.95580%0.795SS**  trans75.5128171.1-59.3178.7176.3161.8-1.8115.9
425G43.1Very low42.4Very low74 Ų74142.1 Ų142.176%0.76379%0.794SS**  cis-166.2166.1-1.700000113.3
426N40.4Very low42.2Very low151 Ų151142.8 Ų142.881%0.80780%0.795SS**  trans-66.2155.1-175.3-58.9-20.1000113.1
427N44.5Very low42.2Very low170 Ų170140.1 Ų140.191%0.90979%0.791SS**  -149.4146.8126.7-125.7-12.9000112.1
428Q42.3Very low42.3Very low185 Ų185143 Ų14386%0.86480%0.796SS**  trans-93.6156.7-168.3-64.1171.3-5.200112.5
429G41Very low42.3Very low85 Ų85134.9 Ų134.988%0.87678%0.781SS**  trans-164.996.8167.400000110.2
430G38Very low42.4Very low72 Ų72135.7 Ų135.774%0.74278%0.782SS**  trans-134149176.600000111.1
431Q41Very low42.2Very low200 Ų200138.7 Ų138.794%0.93579%0.786SS**  trans-142.4148.4168.6-72.6-170.7-12.100109.5
432T37.1Very low42.5Very low136 Ų136138.3 Ų138.383%0.83478%0.784SS**  trans-139.4124.9-16448.40000113.2
433T42.8Very low42.8Very low151 Ų151140.5 Ų140.593%0.92679%0.792SS**  trans-168.6165.9161.245.40000108.5
434G39.4Very low42.8Very low64 Ų64137.8 Ų137.866%0.6679%0.787SS**  cis-103.5-151.4-24.100000110.8
435V45.4Very low42.8Very low132 Ų132135 Ų13580%0.878%0.782SS**  cis73.51167.2-166.20000112.9
436E40.5Very low43Very low152 Ų152136.8 Ų136.871%0.7178%0.78SS**  cis-161.1156.121-147.4148.1-15900115.6
437Q46.2Very low43.5Very low146 Ų146135.2 Ų135.268%0.68278%0.778SS**  trans17.1141.6149.2-58.3174.555.400125.7
438N41Very low43.8Very low139 Ų139135.7 Ų135.774%0.74378%0.779SS**  trans77.3114.6132.5-80.5-31.5000124.9
439A42.3Very low43.8Very low75 Ų75130 Ų13062%0.6277%0.77SS**  82.6108.4115.700000123.1
440T45Very low44.2Very low125 Ų125138 Ų13877%0.76777%0.773SS**  trans80.9149133.865.80000122
441R43.8Very low45Very low227 Ų227140.2 Ų140.286%0.85778%0.775SS**  trans77.9137.4167.4-52.2-175.4-179.6-169.3-2.1115.7
442T50.2Low45.6Very low107 Ų107137.5 Ų137.566%0.65677%0.772SS**  cis-168.6152.4-13.419.10000108
443N47.4Very low46.3Very low143 Ų143137.4 Ų137.477%0.76577%0.771SS**  trans70.4152.1157.1-53.5-15.3000117.8
444T44.1Very low46.9Very low106 Ų106136 Ų13665%0.6577%0.767SS**  cis-166118.2-18.9-93.90000109.8
445F42.9Very low47.2Very low196 Ų196136.5 Ų136.586%0.8677%0.773SS**  trans66.4160.3148.3-74.6-100.8000122.6
446P48.1Very low47.5Very low111 Ų111135.4 Ų135.472%0.72178%0.777SS**  trans-120.5-167.1-146.449.8-38.7000114.2
447P51.4Low48.1Very low117 Ų117131 Ų13176%0.7677%0.773SS**  trans-94.9158.8-158.438.4-36.6000116.1
448I49.1Very low48.5Very low180 Ų180131.1 Ų131.192%0.92378%0.778SS**  trans-168.5144.8155.2-93.8139.6000109.4
449G43.9Very low49Very low66 Ų66131.8 Ų131.868%0.6878%0.781SS**  trans106.5105.5143.100000120.8
450R48.5Very low49.8Very low252 Ų252139.4 Ų139.495%0.95180%0.795SS**  trans43.6148.8141-65.1-174.5177.7-132.90122.7
451P54Low50.8Low119 Ų119136.5 Ų136.577%0.77379%0.791SS**  trans-99146.5-177.238.2-33.3000114.6
452V53.7Low51.9Low143 Ų143135.7 Ų135.787%0.86781%0.814SS**  trans-145.7141.5158178.80000110.8
453V53.4Low51.9Low134 Ų134137.1 Ų137.181%0.81282%0.822SS**  trans-18.4134.2164.7-176.30000117.3
454S54Low52.2Low121 Ų121136.8 Ų136.885%0.84683%0.825SS**  trans-90.9123.9161.855.90000111.6
455G46Very low52.6Low76 Ų76138.5 Ų138.578%0.78484%0.835SS**  trans-146133.9167.400000111.1
456A52.5Low53.2Low109 Ų109135.1 Ų135.190%0.90183%0.834SS**  trans-173.6147.4170.800000107
457G53.4Low53.5Low60 Ų60136.6 Ų136.662%0.61984%0.841SS**  cis-143.2149.5-14.400000107.2
458D53Low53.7Low148 Ų148137.9 Ų137.979%0.79185%0.846SS**  91.3111.295-73.6-31.8000114.5
459L51.3Low54Low152 Ų152134.9 Ų134.980%0.79684%0.841SS**  trans63.7108.9141-54170.1000119.7
460Y59.9Low54.8Low235 Ų235140.2 Ų140.292%0.92285%0.853SS**  178.8139.7111-108.1-91.1000109.4
461G65.4Low55.3Low65 Ų65130.9 Ų130.967%0.6785%0.845SS**  trans-93.8-155.9179.900000113.6
462P67.1Low55.4Low209 Ų209132 Ų132100%1.35785%0.851SS**  cis-930-0.538.2-35.7000115

Retrieved 462 of 462 residues in 192.8 ms (Link to these results)