G4M0P2_SCHMA Loading...

TFIIS N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession G4M0P2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 499 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
1M64Low75.4Confident95 Ų9589 Ų8947%0.46844%0.438SS..  0129.20-155.6151.790.500107.9Q5 L6 I11 W37 V50M1-Q5 HydrophobicContact CG-CB 4.05Å; M1-L6 HydrophobicContact CE-CD2 3.29Å; M1-L6 HydrophobicContact CE-CG 3.78Å; M1-L6 HydrophobicContact CG-CG 4.44Å; M1-I11 HydrophobicContact CE-CG2 3.75Å; M1-W37 HydrophobicContact CE-CH2 4.09Å; M1-W37 HydrophobicContact CE-CZ2 3.68Å; M1-V50 HydrophobicContact CB-CB 4.08Å; M1-V50 HydrophobicContact CB-CG1 4.12Å; M1-V50 HydrophobicContact CB-CG2 4.39Å; M1-V50 HydrophobicContact CE-CG1 4.31Å; M1-V50 VanDerWaalsContact O-CB 3.24Å; M1-V50 WeakPolarHBondContact O-CB 3.29Å; M1-V50 WeakPolarHBondContact O-CG2 3.24Å
2T69.6Low76.1Confident48 Ų4884.3 Ų84.329%0.29443%0.429SS..  trans-96.3167-178.9630000111.4I4 Q5 L6T2-I4 VanDerWaalsContact C-N 3.27Å; T2-I4 PolarHBondContact O-N 3.48Å; T2-Q5 PolarHBondContact O-N 3.41Å; T2-Q5 VanDerWaalsContact OG1-CG 3.31Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.18Å; T2-Q5 PolarHBondContact OG1-N 3.29Å; T2-L6 PolarHBondContact O-N 3.29Å
3M66.6Low76.9Confident79 Ų7987.4 Ų87.439%0.38944%0.441SS..Hα-helixtrans-59.8-37.9175.4-172.9177.4-6100112.5L6 Q7 L40 L41M3-L6 WeakPolarHBondContact O-CB 3.38Å; M3-L6 PolarHBondContact O-N 3.48Å; M3-Q7 WeakPolarHBondContact O-CG 3.47Å; M3-Q7 PolarHBondContact O-N 3.42Å; M3-L40 WeakPolarHBondContact CE-O 3.49Å; M3-L41 HydrophobicContact CE-CD2 4.23Å; M3-L41 HydrophobicContact CG-CD2 3.91Å; M3-L41 HydrophobicContact SD-CD2 3.94Å
4I73.7Confident77.9Confident112 Ų11287.6 Ų87.657%0.57444%0.444SS*.Hα-helixtrans-63.6-50.1177.1-65.7159.9000109.6T2 L6 Q7 D8T2-I4 VanDerWaalsContact C-N 3.27Å; T2-I4 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.26Å; I4-L6 PolarHBondContact O-N 2.98Å; I4-Q7 PolarHBondContact O-N 3.09Å; I4-Q7 VanDerWaalsContact O-N 3.08Å; I4-D8 WeakPolarHBondContact CG2-OD2 3.49Å; I4-D8 WeakPolarHBondContact O-CB 3.19Å; I4-D8 VanDerWaalsContact O-CG 3.27Å; I4-D8 PolarHBondContact O-N 2.8Å
5Q72Confident78.7Confident87 Ų8783.7 Ų83.741%0.40742%0.424SS..Hα-helixtrans-57.7-39.5175.5-72.6172.9-22.400112.1M1 T2 Q7 T9M1-Q5 HydrophobicContact CG-CB 4.05Å; T2-Q5 PolarHBondContact O-N 3.41Å; T2-Q5 VanDerWaalsContact OG1-CG 3.31Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.18Å; T2-Q5 PolarHBondContact OG1-N 3.29Å; Q5-Q7 PolarHBondContact O-N 3.16Å; Q5-T9 VanDerWaalsContact O-CB 3.22Å; Q5-T9 WeakPolarHBondContact O-CB 3.04Å; Q5-T9 WeakPolarHBondContact O-CG2 3.38Å; Q5-T9 PolarHBondContact O-N 3Å; Q5-T9 PolarHBondContact O-OG1 3.47Å
6L68.6Low79.3Confident21 Ų2183.5 Ų83.511%0.1142%0.421CS..Hα-helixtrans-62.7-40177-84.9163.7000113M1 T2 M3 I4 I11 W37 V50M1-L6 HydrophobicContact CE-CD2 3.29Å; M1-L6 HydrophobicContact CE-CG 3.78Å; M1-L6 HydrophobicContact CG-CG 4.44Å; T2-L6 PolarHBondContact O-N 3.29Å; M3-L6 WeakPolarHBondContact O-CB 3.38Å; M3-L6 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.26Å; I4-L6 PolarHBondContact O-N 2.98Å; L6-I11 HydrophobicContact CD2-CG2 3.58Å; L6-W37 HydrophobicContact CD1-CG 4.48Å; L6-W37 HydrophobicContact CD2-CD2 3.71Å; L6-W37 HydrophobicContact CD2-CE3 3.84Å; L6-W37 HydrophobicContact CD2-CG 4.23Å; L6-W37 HydrophobicContact CD2-CH2 3.97Å; L6-W37 HydrophobicContact CD2-CZ2 3.91Å; L6-W37 HydrophobicContact CD2-CZ3 3.97Å; L6-V50 HydrophobicContact CD1-CB 4.4Å; L6-V50 HydrophobicContact CD1-CG1 3.93Å; L6-V50 HydrophobicContact CD1-CG2 3.45Å; L6-V50 VanDerWaalsContact CD1-CG2 3.45Å; L6-V50 HydrophobicContact CG-CG2 4.44Å
7Q74.8Confident80.1Confident124 Ų12483.4 Ų83.458%0.57943%0.426SS*.Hα-helixtrans-73.6-47.8178.7-72.1178.7-11.300110.9M3 I4 Q5 R10M3-Q7 WeakPolarHBondContact O-CG 3.47Å; M3-Q7 PolarHBondContact O-N 3.42Å; I4-Q7 PolarHBondContact O-N 3.09Å; I4-Q7 VanDerWaalsContact O-N 3.08Å; Q5-Q7 PolarHBondContact O-N 3.16Å; Q7-R10 PolarHBondContact O-N 3.47Å
8D83.6Confident80.7Confident118 Ų11882.2 Ų82.263%0.63142%0.42SS*.Hα-helixtrans-67.2-43.1-175.4-67-16.3000112.1I4 R10I4-D8 WeakPolarHBondContact CG2-OD2 3.49Å; I4-D8 WeakPolarHBondContact O-CB 3.19Å; I4-D8 VanDerWaalsContact O-CG 3.27Å; I4-D8 PolarHBondContact O-N 2.8Å; D8-R10 PolarHBondContact O-N 3.28Å
9T84.6Confident81.3Confident86 Ų8679.9 Ų79.953%0.52841%0.406SS..THydrogen-bonded Turntrans-73-9.8-178.359.60000113.4Q5 I11Q5-T9 VanDerWaalsContact O-CB 3.22Å; Q5-T9 WeakPolarHBondContact O-CB 3.04Å; Q5-T9 WeakPolarHBondContact O-CG2 3.38Å; Q5-T9 PolarHBondContact O-N 3Å; Q5-T9 PolarHBondContact O-OG1 3.47Å; T9-I11 PolarHBondContact O-N 3.09Å; T9-I11 WeakPolarHBondContact OG1-CB 3.48Å; T9-I11 WeakPolarHBondContact OG1-CG2 3.3Å; T9-I11 PolarHBondContact OG1-N 3.14Å
10R85.8Confident81.7Confident169 Ų16982.4 Ų82.464%0.63842%0.415SS*.  trans51.521.1-170.3-55.6-175.8179.1-173.10.9113.1Q7 D8 G12 Q13 L14Q7-R10 PolarHBondContact O-N 3.47Å; D8-R10 PolarHBondContact O-N 3.28Å; R10-G12 PolarHBondContact O-N 2.86Å; R10-Q13 WeakPolarHBondContact O-CB 3.46Å; R10-Q13 PolarHBondContact O-N 2.54Å; R10-L14 PolarHBondContact O-N 2.81Å; R10-L14 VanDerWaalsContact O-N 3.09Å
11I86.4Confident82.2Confident40 Ų4086.8 Ų86.821%0.20543%0.431CS..Hα-helixtrans-62.1-29.2-176.2-17160.6000111.9M1 L6 T9 Q13 L14 L15 W37M1-I11 HydrophobicContact CE-CG2 3.75Å; L6-I11 HydrophobicContact CD2-CG2 3.58Å; T9-I11 PolarHBondContact O-N 3.09Å; T9-I11 WeakPolarHBondContact OG1-CB 3.48Å; T9-I11 WeakPolarHBondContact OG1-CG2 3.3Å; T9-I11 PolarHBondContact OG1-N 3.14Å; I11-Q13 PolarHBondContact O-N 3.12Å; I11-L14 HydrophobicContact CD1-CB 4.34Å; I11-L14 HydrophobicContact CD1-CD2 3.92Å; I11-L14 PolarHBondContact O-N 3.07Å; I11-L15 HydrophobicContact CG1-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.07Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.47Å; I11-W37 HydrophobicContact CG1-CH2 4Å; I11-W37 HydrophobicContact CG2-CH2 4.07Å; I11-W37 HydrophobicContact CG2-CZ3 4.28Å
12G84.1Confident83.6Confident32 Ų3283.9 Ų83.933%0.3342%0.419SS..Hα-helixtrans-57.8-44.8171.100000113R10 Q16R10-G12 PolarHBondContact O-N 2.86Å; G12-Q16 WeakPolarHBondContact O-CB 3.4Å; G12-Q16 PolarHBondContact O-N 3.15Å
13Q85.9Confident84.8Confident125 Ų12587.4 Ų87.458%0.58444%0.436SS*.Hα-helixtrans-70.2-39.4177.4-62.8178.1-10.400111.1R10 I11 Q16 T17R10-Q13 WeakPolarHBondContact O-CB 3.46Å; R10-Q13 PolarHBondContact O-N 2.54Å; I11-Q13 PolarHBondContact O-N 3.12Å; Q13-Q16 PolarHBondContact O-N 2.98Å; Q13-T17 WeakPolarHBondContact O-CB 3.45Å; Q13-T17 PolarHBondContact O-N 3.07Å; Q13-T17 PolarHBondContact O-OG1 2.68Å
14L90.8Very high86Confident91 Ų9187.8 Ų87.848%0.47644%0.444SS..Hα-helixtrans-62.7-49.5176.9-177.460.3000111.2R10 I11 Q16 T17 I18R10-L14 PolarHBondContact O-N 2.81Å; R10-L14 VanDerWaalsContact O-N 3.09Å; I11-L14 HydrophobicContact CD1-CB 4.34Å; I11-L14 HydrophobicContact CD1-CD2 3.92Å; I11-L14 PolarHBondContact O-N 3.07Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.34Å; L14-T17 WeakPolarHBondContact O-CB 3.45Å; L14-T17 PolarHBondContact O-N 3.07Å; L14-T17 VanDerWaalsContact O-N 3.13Å; L14-I18 HydrophobicContact CD1-CD1 3.73Å; L14-I18 HydrophobicContact CD1-CG1 4.13Å; L14-I18 HydrophobicContact CD2-CD1 4.42Å; L14-I18 HydrophobicContact CG-CD1 3.73Å; L14-I18 HydrophobicContact CG-CG1 4.44Å; L14-I18 WeakPolarHBondContact O-CB 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.44Å
15L90.2Very high87Confident29 Ų2986.6 Ų86.615%0.15244%0.444CS..Hα-helixtrans-60.4-41.9176.2-77.6-154.1000111.7I11 T17 I18 R19 I30 I33 I34 W37I11-L15 HydrophobicContact CG1-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CB 3.07Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.47Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.16Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-R19 WeakPolarHBondContact O-CB 3.48Å; L15-R19 PolarHBondContact O-N 2.83Å; L15-I30 HydrophobicContact CB-CG2 4Å; L15-I30 HydrophobicContact CD1-CG2 4.29Å; L15-I33 HydrophobicContact CD1-CB 4.42Å; L15-I33 HydrophobicContact CD1-CG2 3.67Å; L15-I34 HydrophobicContact CB-CD1 4.11Å; L15-I34 HydrophobicContact CB-CG1 4.27Å; L15-I34 HydrophobicContact CD1-CG1 4.45Å; L15-W37 HydrophobicContact CB-CZ3 4.2Å; L15-W37 HydrophobicContact CD1-CE3 4.28Å; L15-W37 HydrophobicContact CD1-CH2 3.08Å; L15-W37 HydrophobicContact CD1-CZ2 3.91Å; L15-W37 HydrophobicContact CD1-CZ3 3.29Å; L15-W37 HydrophobicContact CG-CH2 3.74Å; L15-W37 HydrophobicContact CG-CZ3 3.81Å
16Q88.8Confident87.9Confident80 Ų8086.3 Ų86.337%0.37445%0.445SS..Hα-helixtrans-63-37.2176.7-170.673.9-14.100111.9G12 Q13 L14 R19 H20 I34G12-Q16 WeakPolarHBondContact O-CB 3.4Å; G12-Q16 PolarHBondContact O-N 3.15Å; Q13-Q16 PolarHBondContact O-N 2.98Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.34Å; Q16-R19 WeakPolarHBondContact O-CB 3.11Å; Q16-H20 PolarHBondContact O-CD2 2.85Å; Q16-H20 VanDerWaalsContact O-CD2 3.32Å; Q16-I34 HydrophobicContact CB-CD1 4.45Å; Q16-I34 VanDerWaalsContact OE1-CD1 3.31Å
17T91.6Very high89.1Confident82 Ų8287.8 Ų87.850%0.50345%0.451SS..Hα-helixtrans-69.6-44.5177.2-57.20000111.8Q13 L14 L15 R19Q13-T17 WeakPolarHBondContact O-CB 3.45Å; Q13-T17 PolarHBondContact O-N 3.07Å; Q13-T17 PolarHBondContact O-OG1 2.68Å; L14-T17 WeakPolarHBondContact O-CB 3.45Å; L14-T17 PolarHBondContact O-N 3.07Å; L14-T17 VanDerWaalsContact O-N 3.13Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 3.16Å; T17-R19 VanDerWaalsContact C-N 3.34Å
18I92Very high89.9Confident62 Ų6288.5 Ų88.532%0.31845%0.453SS..Hα-helixtrans-69.7-33179.7-67.7173.1000110.9L14 L15 H20 K21 V22 I30L14-I18 HydrophobicContact CD1-CD1 3.73Å; L14-I18 HydrophobicContact CD1-CG1 4.13Å; L14-I18 HydrophobicContact CD2-CD1 4.42Å; L14-I18 HydrophobicContact CG-CD1 3.73Å; L14-I18 HydrophobicContact CG-CG1 4.44Å; L14-I18 WeakPolarHBondContact O-CB 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.44Å; L15-I18 PolarHBondContact O-N 2.93Å; I18-H20 PolarHBondContact O-N 2.93Å; I18-K21 WeakPolarHBondContact O-CA 3.44Å; I18-K21 PolarHBondContact O-N 3.16Å; I18-V22 HydrophobicContact CG2-CG1 3.42Å; I18-V22 VanDerWaalsContact CG2-CG1 3.42Å; I18-V22 PolarHBondContact O-N 3.3Å; I18-I30 HydrophobicContact CG2-CD1 4.06Å
19R91.2Very high90.3Very high39 Ų3989.9 Ų89.915%0.14745%0.449CS..THydrogen-bonded Turntrans-51-32.5-178.9-177.4179.4161-145.5-14.8114L15 Q16 T17 Q27 I30 R31L15-R19 WeakPolarHBondContact O-CB 3.48Å; L15-R19 PolarHBondContact O-N 2.83Å; Q16-R19 WeakPolarHBondContact O-CB 3.11Å; T17-R19 VanDerWaalsContact C-N 3.34Å; R19-Q27 HydrophobicContact CG-CG 3.76Å; R19-Q27 WeakPolarHBondContact O-CG 3.42Å; R19-Q27 PolarHBondContact O-NE2 2.76Å; R19-I30 HydrophobicContact CB-CG2 3.83Å; R19-I30 HydrophobicContact CG-CG2 4.09Å; R19-R31 VanDerWaalsContact NH2-NE 3.1Å
20H89.5Confident90.7Very high129 Ų12986.2 Ų86.260%0.59743%0.426SS*.THydrogen-bonded Turntrans-89.9-7.7-179.8-63.3-70.5000113.7Q16 I18Q16-H20 PolarHBondContact O-CD2 2.85Å; Q16-H20 VanDerWaalsContact O-CD2 3.32Å; I18-H20 PolarHBondContact O-N 2.93Å
21K92.7Very high90.9Very high174 Ų17483.3 Ų83.376%0.75742%0.415SS*.THydrogen-bonded Turntrans-107.4-8.3-177.7-61.3-172.2176.3-172.50113.8I18I18-K21 WeakPolarHBondContact O-CA 3.44Å; I18-K21 PolarHBondContact O-N 3.16Å
22V93.6Very high91.1Very high35 Ų3587 Ų8721%0.21243%0.434CS..SBendtrans-103.7162.8-178.4-64.70000112.5I18 L26 Q27 I30I18-V22 HydrophobicContact CG2-CG1 3.42Å; I18-V22 VanDerWaalsContact CG2-CG1 3.42Å; I18-V22 PolarHBondContact O-N 3.3Å; V22-L26 HydrophobicContact CB-CB 4.07Å; V22-L26 HydrophobicContact CB-CD2 3.79Å; V22-L26 HydrophobicContact CB-CG 4.01Å; V22-L26 HydrophobicContact CG1-CD2 3.67Å; V22-L26 HydrophobicContact CG1-CG 4.25Å; V22-L26 HydrophobicContact CG2-CB 4.01Å; V22-L26 HydrophobicContact CG2-CD2 4.3Å; V22-L26 HydrophobicContact CG2-CG 3.97Å; V22-Q27 HydrophobicContact CG2-CB 4.14Å; V22-I30 HydrophobicContact CG2-CD1 3.81Å
23D94.2Very high91.3Very high122 Ų12288.8 Ų88.865%0.65244%0.436SS*.  trans-60.8154.4178.4-61.5-48.6000113.1P25 L26 Q27D23-P25 VanDerWaalsContact C-CD 3.4Å; D23-L26 PolarHBondContact O-N 3.38Å; D23-Q27 WeakPolarHBondContact O-CB 3.18Å; D23-Q27 PolarHBondContact O-N 3.01Å
24P92.8Very high91.4Very high86 Ų8683.7 Ų83.756%0.55841%0.412SS*.Hα-helixtrans-52.2-38.1-177-26.333.7000116K28P24-K28 WeakPolarHBondContact O-CG 3.49Å; P24-K28 PolarHBondContact O-N 3.28Å
25P93.4Very high91.2Very high87 Ų8785.4 Ų85.457%0.56542%0.416SS*.Hα-helixtrans-63.9-45175.6-2234.4000112.5D23 K28 R29D23-P25 VanDerWaalsContact C-CD 3.4Å; P25-K28 WeakPolarHBondContact O-CB 3.22Å; P25-K28 PolarHBondContact O-N 2.7Å; P25-R29 PolarHBondContact O-N 3.37Å; P25-R29 VanDerWaalsContact O-N 3.12Å
26L91.6Very high90.8Very high82 Ų8285 Ų8543%0.42942%0.417SS..Hα-helixtrans-69.8-37.9179-172.754.5000110.9V22 D23 K28 R29 I30V22-L26 HydrophobicContact CB-CB 4.07Å; V22-L26 HydrophobicContact CB-CD2 3.79Å; V22-L26 HydrophobicContact CB-CG 4.01Å; V22-L26 HydrophobicContact CG1-CD2 3.67Å; V22-L26 HydrophobicContact CG1-CG 4.25Å; V22-L26 HydrophobicContact CG2-CB 4.01Å; V22-L26 HydrophobicContact CG2-CD2 4.3Å; V22-L26 HydrophobicContact CG2-CG 3.97Å; D23-L26 PolarHBondContact O-N 3.38Å; L26-K28 VanDerWaalsContact C-N 3.28Å; L26-K28 PolarHBondContact O-N 3.2Å; L26-R29 PolarHBondContact O-N 2.71Å; L26-R29 VanDerWaalsContact O-N 3.14Å; L26-I30 HydrophobicContact CD1-CG1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.18Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 3.04Å
27Q93Very high90.4Very high51 Ų5182.4 Ų82.424%0.23840%0.404CS..Hα-helixtrans-57.3-39.7171.8-178.3175.765.600112.3R19 V22 D23 R31R19-Q27 HydrophobicContact CG-CG 3.76Å; R19-Q27 WeakPolarHBondContact O-CG 3.42Å; R19-Q27 PolarHBondContact O-NE2 2.76Å; V22-Q27 HydrophobicContact CG2-CB 4.14Å; D23-Q27 WeakPolarHBondContact O-CB 3.18Å; D23-Q27 PolarHBondContact O-N 3.01Å; Q27-R31 WeakPolarHBondContact O-CB 3.35Å; Q27-R31 PolarHBondContact O-N 3.29Å
28K92.9Very high89.7Confident140 Ų14084 Ų8461%0.60941%0.405SS*.Hα-helixtrans-65.8-44.2174.7-74.9175.5-177.8177.90111.5P24 P25 L26 R31 L32P24-K28 WeakPolarHBondContact O-CG 3.49Å; P24-K28 PolarHBondContact O-N 3.28Å; P25-K28 WeakPolarHBondContact O-CB 3.22Å; P25-K28 PolarHBondContact O-N 2.7Å; L26-K28 VanDerWaalsContact C-N 3.28Å; L26-K28 PolarHBondContact O-N 3.2Å; K28-R31 PolarHBondContact O-N 2.78Å; K28-L32 WeakPolarHBondContact O-CG 2.87Å; K28-L32 PolarHBondContact O-N 3.2Å
29R92Very high89Confident146 Ų14688.2 Ų88.255%0.55142%0.421SS*.Hα-helixtrans-60.5-49.3176-70.6-176.6177.5-175-1.6111.2P25 L26 R31 L32 I33P25-R29 PolarHBondContact O-N 3.37Å; P25-R29 VanDerWaalsContact O-N 3.12Å; L26-R29 PolarHBondContact O-N 2.71Å; L26-R29 VanDerWaalsContact O-N 3.14Å; R29-R31 VanDerWaalsContact C-N 3.3Å; R29-R31 PolarHBondContact O-N 3.27Å; R29-L32 WeakPolarHBondContact O-CB 3.24Å; R29-L32 PolarHBondContact O-N 2.89Å; R29-L32 VanDerWaalsContact O-N 3.08Å; R29-I33 WeakPolarHBondContact O-CG1 3.43Å; R29-I33 PolarHBondContact O-N 2.82Å
30I92Very high87.9Confident9 Ų987.5 Ų87.55%0.04642%0.42CS..Hα-helixtrans-58.8-41.8175.6-66.6173.3000111.1L15 I18 R19 V22 L26 L32 I33 I34L15-I30 HydrophobicContact CB-CG2 4Å; L15-I30 HydrophobicContact CD1-CG2 4.29Å; I18-I30 HydrophobicContact CG2-CD1 4.06Å; R19-I30 HydrophobicContact CB-CG2 3.83Å; R19-I30 HydrophobicContact CG-CG2 4.09Å; V22-I30 HydrophobicContact CG2-CD1 3.81Å; L26-I30 HydrophobicContact CD1-CG1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.18Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 3.04Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.18Å; I30-I33 PolarHBondContact O-N 3.38Å; I30-I34 HydrophobicContact CG2-CD1 3.68Å; I30-I34 HydrophobicContact CG2-CG1 4.24Å; I30-I34 VanDerWaalsContact O-CG1 3.3Å; I30-I34 WeakPolarHBondContact O-CG1 3.09Å; I30-I34 PolarHBondContact O-N 2.95Å
31R91.5Very high86.7Confident109 Ų10986.1 Ų86.141%0.41142%0.417SS..Hα-helixtrans-62.5-38.1176.3-174.2-172.6-83.9145.8-11112.2R19 Q27 K28 R29 K35R19-R31 VanDerWaalsContact NH2-NE 3.1Å; Q27-R31 WeakPolarHBondContact O-CB 3.35Å; Q27-R31 PolarHBondContact O-N 3.29Å; K28-R31 PolarHBondContact O-N 2.78Å; R29-R31 VanDerWaalsContact C-N 3.3Å; R29-R31 PolarHBondContact O-N 3.27Å; R31-K35 WeakPolarHBondContact O-CB 3.37Å; R31-K35 WeakPolarHBondContact O-CG 3.45Å; R31-K35 PolarHBondContact O-N 2.82Å
32L90Very high85.4Confident117 Ų11780.4 Ų80.461%0.61340%0.398SS*.Hα-helixtrans-66.2-44.7176.1-74.1170.7000111.3K28 R29 I30 K35 A36K28-L32 WeakPolarHBondContact O-CG 2.87Å; K28-L32 PolarHBondContact O-N 3.2Å; R29-L32 WeakPolarHBondContact O-CB 3.24Å; R29-L32 PolarHBondContact O-N 2.89Å; R29-L32 VanDerWaalsContact O-N 3.08Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.18Å; L32-K35 PolarHBondContact O-N 2.87Å; L32-A36 WeakPolarHBondContact O-CB 3.29Å; L32-A36 PolarHBondContact O-N 2.85Å
33I88.1Confident83.7Confident70 Ų7084.9 Ų84.936%0.35943%0.432SS..Hα-helixtrans-58.6-52.3176.4-68.6169.4000109.9L15 R29 I30 K35 A36 W37L15-I33 HydrophobicContact CD1-CB 4.42Å; L15-I33 HydrophobicContact CD1-CG2 3.67Å; R29-I33 WeakPolarHBondContact O-CG1 3.43Å; R29-I33 PolarHBondContact O-N 2.82Å; I30-I33 PolarHBondContact O-N 3.38Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.21Å; I33-A36 PolarHBondContact O-N 3.23Å; I33-A36 VanDerWaalsContact O-N 3.16Å; I33-W37 HydrophobicContact CG2-CD2 3.74Å; I33-W37 HydrophobicContact CG2-CE3 4.19Å; I33-W37 HydrophobicContact CG2-CG 4.45Å; I33-W37 HydrophobicContact CG2-CH2 3.73Å; I33-W37 HydrophobicContact CG2-CZ2 3.15Å; I33-W37 HydrophobicContact CG2-CZ3 4.19Å; I33-W37 PolarHBondContact O-N 2.92Å
34I86.8Confident82.1Confident18 Ų1887 Ų879%0.09244%0.438CS..Hα-helixtrans-60.3-40.6177.4-65.7171.8000111.6L15 Q16 I30 W37 Q38L15-I34 HydrophobicContact CB-CD1 4.11Å; L15-I34 HydrophobicContact CB-CG1 4.27Å; L15-I34 HydrophobicContact CD1-CG1 4.45Å; Q16-I34 HydrophobicContact CB-CD1 4.45Å; Q16-I34 VanDerWaalsContact OE1-CD1 3.31Å; I30-I34 HydrophobicContact CG2-CD1 3.68Å; I30-I34 HydrophobicContact CG2-CG1 4.24Å; I30-I34 VanDerWaalsContact O-CG1 3.3Å; I30-I34 WeakPolarHBondContact O-CG1 3.09Å; I30-I34 PolarHBondContact O-N 2.95Å; I34-W37 HydrophobicContact CG1-CE3 4.29Å; I34-W37 WeakPolarHBondContact O-CB 3.45Å; I34-W37 PolarHBondContact O-N 3.11Å; I34-Q38 HydrophobicContact CG2-CG 4.39Å; I34-Q38 WeakPolarHBondContact O-CG 3.01Å; I34-Q38 PolarHBondContact O-N 3.12Å
35K87.1Confident80.5Confident127 Ų12789 Ų8955%0.55244%0.435SS*.Hα-helixtrans-64.9-41.1176.3-88.2-168.6165.1-166.70112.6R31 L32 I33 W37 Q38 K39R31-K35 WeakPolarHBondContact O-CB 3.37Å; R31-K35 WeakPolarHBondContact O-CG 3.45Å; R31-K35 PolarHBondContact O-N 2.82Å; L32-K35 PolarHBondContact O-N 2.87Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.21Å; K35-W37 VanDerWaalsContact C-N 3.29Å; K35-Q38 PolarHBondContact O-N 3.39Å; K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 2.86Å; K35-K39 VanDerWaalsContact O-N 3.16Å
36A81.9Confident78.6Confident20 Ų2090.5 Ų90.517%0.16545%0.447CS..Hα-helixtrans-62.5-41.7174.600000110.1L32 I33 K39 L40 P52L32-A36 WeakPolarHBondContact O-CB 3.29Å; L32-A36 PolarHBondContact O-N 2.85Å; I33-A36 PolarHBondContact O-N 3.23Å; I33-A36 VanDerWaalsContact O-N 3.16Å; A36-K39 WeakPolarHBondContact O-CB 3.2Å; A36-K39 PolarHBondContact O-N 2.73Å; A36-L40 WeakPolarHBondContact O-CG 3.33Å; A36-L40 PolarHBondContact O-N 3.5Å; A36-P52 HydrophobicContact CB-CG 3.95Å
37W80.8Confident76.9Confident26 Ų2692.7 Ų92.710%0.09846%0.455CS..Hα-helixtrans-63.1-44.6176.1-60.7-8.9000112.9M1 L6 I11 L15 I33 I34 K35 K39 L40 L41 V50M1-W37 HydrophobicContact CE-CH2 4.09Å; M1-W37 HydrophobicContact CE-CZ2 3.68Å; L6-W37 HydrophobicContact CD1-CG 4.48Å; L6-W37 HydrophobicContact CD2-CD2 3.71Å; L6-W37 HydrophobicContact CD2-CE3 3.84Å; L6-W37 HydrophobicContact CD2-CG 4.23Å; L6-W37 HydrophobicContact CD2-CH2 3.97Å; L6-W37 HydrophobicContact CD2-CZ2 3.91Å; L6-W37 HydrophobicContact CD2-CZ3 3.97Å; I11-W37 HydrophobicContact CG1-CH2 4Å; I11-W37 HydrophobicContact CG2-CH2 4.07Å; I11-W37 HydrophobicContact CG2-CZ3 4.28Å; L15-W37 HydrophobicContact CB-CZ3 4.2Å; L15-W37 HydrophobicContact CD1-CE3 4.28Å; L15-W37 HydrophobicContact CD1-CH2 3.08Å; L15-W37 HydrophobicContact CD1-CZ2 3.91Å; L15-W37 HydrophobicContact CD1-CZ3 3.29Å; L15-W37 HydrophobicContact CG-CH2 3.74Å; L15-W37 HydrophobicContact CG-CZ3 3.81Å; I33-W37 HydrophobicContact CG2-CD2 3.74Å; I33-W37 HydrophobicContact CG2-CE3 4.19Å; I33-W37 HydrophobicContact CG2-CG 4.45Å; I33-W37 HydrophobicContact CG2-CH2 3.73Å; I33-W37 HydrophobicContact CG2-CZ2 3.15Å; I33-W37 HydrophobicContact CG2-CZ3 4.19Å; I33-W37 PolarHBondContact O-N 2.92Å; I34-W37 HydrophobicContact CG1-CE3 4.29Å; I34-W37 WeakPolarHBondContact O-CB 3.45Å; I34-W37 PolarHBondContact O-N 3.11Å; K35-W37 VanDerWaalsContact C-N 3.29Å; W37-K39 PolarHBondContact O-N 3.38Å; W37-L40 WeakPolarHBondContact O-CB 3.46Å; W37-L40 PolarHBondContact O-N 3.47Å; W37-L41 PolarHBondContact O-N 2.91Å; W37-L41 VanDerWaalsContact O-N 3.13Å; W37-V50 VanDerWaalsContact CD1-CG1 3.43Å; W37-V50 HydrophobicContact CG-CG1 4.44Å
38Q77.3Confident75.1Confident116 Ų11696.8 Ų96.854%0.54248%0.475SS..Hα-helixtrans-61.7-32.8176.8-76177.1-26.400112.7I34 K35 L40 L41 S42I34-Q38 HydrophobicContact CG2-CG 4.39Å; I34-Q38 WeakPolarHBondContact O-CG 3.01Å; I34-Q38 PolarHBondContact O-N 3.12Å; K35-Q38 PolarHBondContact O-N 3.39Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; Q38-L41 PolarHBondContact O-N 2.93Å; Q38-S42 PolarHBondContact O-N 3.03Å; Q38-S42 PolarHBondContact O-OG 2.69Å
39K77.4Confident73.3Confident150 Ų15098.7 Ų98.765%0.65248%0.479SS*.Hα-helixtrans-67-32.7173.6-74.9-173.2171.3-1640112.6K35 A36 W37 L41 S42K35-K39 WeakPolarHBondContact O-CG 3.33Å; K35-K39 PolarHBondContact O-N 2.86Å; K35-K39 VanDerWaalsContact O-N 3.16Å; A36-K39 WeakPolarHBondContact O-CB 3.2Å; A36-K39 PolarHBondContact O-N 2.73Å; W37-K39 PolarHBondContact O-N 3.38Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-S42 VanDerWaalsContact O-CB 3.29Å; K39-S42 WeakPolarHBondContact O-CB 3.47Å; K39-S42 PolarHBondContact O-N 3.26Å
40L66.5Low71.4Confident24 Ų2492.2 Ų92.213%0.12646%0.456CS..Hα-helixtrans-75-27176.9-60.9166.6000112.3M3 A36 W37 Q38 S42 H47 Y49 V50M3-L40 WeakPolarHBondContact CE-O 3.49Å; A36-L40 WeakPolarHBondContact O-CG 3.33Å; A36-L40 PolarHBondContact O-N 3.5Å; W37-L40 WeakPolarHBondContact O-CB 3.46Å; W37-L40 PolarHBondContact O-N 3.47Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 3.43Å; L40-H47 HydrophobicContact CD2-CB 3.95Å; L40-Y49 WeakPolarHBondContact CD1-O 3.47Å; L40-V50 HydrophobicContact CD1-CB 4.16Å; L40-V50 HydrophobicContact CD1-CG2 3.76Å
41L64.9Low69.6Low99 Ų9998.4 Ų98.452%0.51849%0.487SS..THydrogen-bonded Turntrans-75.7-12.3171.7-63.9174.2000112.8M3 W37 Q38 K39 S43M3-L41 HydrophobicContact CE-CD2 4.23Å; M3-L41 HydrophobicContact CG-CD2 3.91Å; M3-L41 HydrophobicContact SD-CD2 3.94Å; W37-L41 PolarHBondContact O-N 2.91Å; W37-L41 VanDerWaalsContact O-N 3.13Å; Q38-L41 PolarHBondContact O-N 2.93Å; K39-L41 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 3.23Å
42S66.1Low67.5Low54 Ų5497.6 Ų97.638%0.37850%0.496SS..SBendtrans-70.9125.9175.3-58.50000108.3Q38 K39 L40 E44 Y45Q38-S42 PolarHBondContact O-N 3.03Å; Q38-S42 PolarHBondContact O-OG 2.69Å; K39-S42 VanDerWaalsContact O-CB 3.29Å; K39-S42 WeakPolarHBondContact O-CB 3.47Å; K39-S42 PolarHBondContact O-N 3.26Å; L40-S42 PolarHBondContact O-N 3.43Å; S42-E44 PolarHBondContact O-N 3.25Å; S42-Y45 PolarHBondContact O-N 3.25Å
43S57.7Low65.5Low130 Ų13099.2 Ų99.291%0.90951%0.505SS*.THydrogen-bonded Turntrans-53.2-16.4-175.7-173.40000114.6L41L41-S43 PolarHBondContact O-N 3.23Å
44E61.3Low63.7Low167 Ų167105.1 Ų105.178%0.7853%0.528SS*.THydrogen-bonded Turntrans-86.9-9.9-178.9-64.6173.417800113.6S42S42-E44 PolarHBondContact O-N 3.25Å
45Y58Low61.6Low126 Ų126109.4 Ų109.449%0.49456%0.555SS.*  trans-128.478.7-175.5-64.6-88.3000111.5S42 H47S42-Y45 PolarHBondContact O-N 3.25Å; Y45-H47 PolarHBondContact O-N 2.77Å
46S53.8Low59.2Low119 Ų119108.7 Ų108.783%0.83257%0.566SS**  trans-7135.3171.856.70000113.9Q48S46-Q48 PolarHBondContact O-N 3.47Å
47H55.2Low57.2Low129 Ų129113.9 Ų113.960%0.59759%0.591SS**  trans-78.5120.1178.8-69.758.2000109L40 Y45 Y49L40-H47 HydrophobicContact CD2-CB 3.95Å; Y45-H47 PolarHBondContact O-N 2.77Å; H47-Y49 PolarHBondContact O-N 3.08Å; H47-Y49 VanDerWaalsContact O-N 3.13Å
48Q56.3Low55.4Low137 Ų137122.1 Ų122.164%0.6463%0.628SS**  trans-71.4-5.9-171.5-157.5166.910.100114S46S46-Q48 PolarHBondContact O-N 3.47Å
49Y53.9Low53.6Low180 Ų180123.7 Ų123.771%0.70664%0.64SS**  trans-117.6135.8-171.2-61.3-78.1000113.3L40 H47L40-Y49 WeakPolarHBondContact CD1-O 3.47Å; H47-Y49 PolarHBondContact O-N 3.08Å; H47-Y49 VanDerWaalsContact O-N 3.13Å
50V53.8Low51.9Low10 Ų10123.9 Ų123.96%0.06165%0.646CS.*SBendtrans-96.5-3.2-161.7164.70000115M1 L6 W37 L40M1-V50 HydrophobicContact CB-CB 4.08Å; M1-V50 HydrophobicContact CB-CG1 4.12Å; M1-V50 HydrophobicContact CB-CG2 4.39Å; M1-V50 HydrophobicContact CE-CG1 4.31Å; M1-V50 VanDerWaalsContact O-CB 3.24Å; M1-V50 WeakPolarHBondContact O-CB 3.29Å; M1-V50 WeakPolarHBondContact O-CG2 3.24Å; L6-V50 HydrophobicContact CD1-CB 4.4Å; L6-V50 HydrophobicContact CD1-CG1 3.93Å; L6-V50 HydrophobicContact CD1-CG2 3.45Å; L6-V50 VanDerWaalsContact CD1-CG2 3.45Å; L6-V50 HydrophobicContact CG-CG2 4.44Å; W37-V50 VanDerWaalsContact CD1-CG1 3.43Å; W37-V50 HydrophobicContact CG-CG1 4.44Å; L40-V50 HydrophobicContact CD1-CB 4.16Å; L40-V50 HydrophobicContact CD1-CG2 3.76Å
51I54.2Low50.8Low138 Ų138128.5 Ų128.571%0.70868%0.678SS**SBendtrans-128115.5-176.3-54.8176.4000108.6L53I51-L53 PolarHBondContact O-N 3.06Å
52P47.5Very low49.9Very low92 Ų92130 Ų13060%0.59769%0.691SS**  trans-64.4110169.5-1427.5000108.3A36 K54A36-P52 HydrophobicContact CB-CG 3.95Å; P52-K54 PolarHBondContact O-N 3Å
53L48Very low48.5Very low152 Ų152132.5 Ų132.580%0.79671%0.709SS**  trans-53.4112.4160.1-74.6153.5000106.3I51 T55I51-L53 PolarHBondContact O-N 3.06Å; L53-T55 HydrophobicContact CB-CG2 4.36Å; L53-T55 PolarHBondContact O-N 3.38Å
54K50.3Low48Very low193 Ų193132.2 Ų132.284%0.83970%0.704SS**  trans-73.676.7161.6-76.3-161.3174.2-174.10106.9P52 S56P52-K54 PolarHBondContact O-N 3Å; K54-S56 VanDerWaalsContact C-N 3.29Å; K54-S56 PolarHBondContact O-N 3.13Å
55T41.9Very low47.2Very low109 Ų109133.8 Ų133.867%0.66971%0.708SS**  trans-65.9103.5156.248.90000105.9L53 D57L53-T55 HydrophobicContact CB-CG2 4.36Å; L53-T55 PolarHBondContact O-N 3.38Å; T55-D57 PolarHBondContact O-N 2.89Å
56S37.1Very low46.3Very low112 Ų112132.8 Ų132.878%0.78372%0.719SS**  trans-64.477.4161.6160.70000107.7K54K54-S56 VanDerWaalsContact C-N 3.29Å; K54-S56 PolarHBondContact O-N 3.13Å
57D38.3Very low46.1Very low129 Ų129134.8 Ų134.869%0.6972%0.721SS**  trans-12588.8160.5-85-40.6000108.5T55 N59T55-D57 PolarHBondContact O-N 2.89Å; D57-N59 PolarHBondContact O-N 2.87Å
58K44.8Very low45.6Very low199 Ų199132 Ų13287%0.86573%0.727SS**  trans-59.187.9150.1-74.1175.3176.1174.80106.6
59N38.6Very low45.2Very low148 Ų148131.6 Ų131.679%0.79173%0.734SS**  trans-176.567.3157.7-83.6-28.1000109.5D57 P61D57-N59 PolarHBondContact O-N 2.87Å; N59-P61 WeakPolarHBondContact O-CD 3.34Å
60I41.9Very low44.7Very low155 Ų155129.1 Ų129.180%0.79574%0.74SS**  trans-91.4110156.4-61.9174.8000105.8T62I60-T62 PolarHBondContact O-N 3.34Å; I60-T62 VanDerWaalsContact O-N 3.15Å
61P43.1Very low44.5Very low120 Ų120134.6 Ų134.678%0.77977%0.773SS**  trans-70.3111.7170.227.8-28.5000107.7N59 S63N59-P61 WeakPolarHBondContact O-CD 3.34Å; P61-S63 PolarHBondContact O-N 2.87Å
62T46.4Very low44.3Very low132 Ų132137.6 Ų137.681%0.8178%0.781SS**  trans-51128.3164-210000108.5I60 P64I60-T62 PolarHBondContact O-N 3.34Å; I60-T62 VanDerWaalsContact O-N 3.15Å; T62-P64 WeakPolarHBondContact O-CD 3.36Å
63S36.3Very low44.2Very low106 Ų106140.6 Ų140.674%0.74179%0.791SS**  trans-55.4125.5177.159.40000110.6P61 K65P61-S63 PolarHBondContact O-N 2.87Å; S63-K65 PolarHBondContact O-N 3.13Å
64P46.8Very low44.4Very low124 Ų124139.1 Ų139.181%0.80579%0.791SS**  trans-79.2109.5172.329.2-27.8000108T62 S66T62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-S66 PolarHBondContact O-N 3.15Å; P64-S66 VanDerWaalsContact O-N 3.15Å
65K45.1Very low44.2Very low200 Ų200134.2 Ų134.287%0.8779%0.786SS**  trans-56.4114.4168.6-151.1172.7-175.2176.40108.2S63 N67S63-K65 PolarHBondContact O-N 3.13Å; K65-N67 PolarHBondContact O-N 3.12Å
66S38.8Very low44.5Very low105 Ų105140.7 Ų140.773%0.73480%0.798SS**  trans-60.3124178.461.50000111.1P64P64-S66 PolarHBondContact O-N 3.15Å; P64-S66 VanDerWaalsContact O-N 3.15Å
67N50.1Low44.9Very low160 Ų160143.6 Ų143.686%0.85680%0.8SS**  trans-141.9112.4152.5-83-30.8000106.4K65K65-N67 PolarHBondContact O-N 3.12Å
68G43.7Very low45.5Very low71 Ų71146.3 Ų146.373%0.73281%0.805SS**  trans-72.1159-170.800000114.1
69T48.3Very low45.3Very low129 Ų129142.1 Ų142.179%0.79180%0.801SS**  trans-169124.3136.3-60.10000107.1
70P43.3Very low45.7Very low127 Ų127144.2 Ų144.283%0.82580%0.803SS**  trans-101.7129.2179.134.6-25.4000111.5
71T50.3Low45.7Very low125 Ų125145.5 Ų145.577%0.76781%0.805SS**  trans-141.8103.1168.5-41.70000112.7
72K50.3Low45.7Very low201 Ų201145.7 Ų145.787%0.87481%0.807SS**  trans47.3122.1143.9-70.4-178.1173.61790122.8
73I46.1Very low45.9Very low155 Ų155144.2 Ų144.280%0.79581%0.808SS**  trans-66.2156.8157.5-37.7170.5000110.5
74P50.7Low46Very low122 Ų122146.7 Ų146.779%0.79281%0.813SS**  -147.2132.587.430.2-8.4000114.4
75A46.2Very low45.9Very low90 Ų90147.8 Ų147.874%0.74482%0.817SS**  61.8111.290.600000117.4
76R49Very low45.8Very low244 Ų244143.5 Ų143.592%0.92181%0.807SS**  trans-163.2103143.1-137.2179.6-177.9-172.21.6115.1
77E44.9Very low45.9Very low174 Ų174146.2 Ų146.281%0.81381%0.814SS**  trans-0.9156.7142.1-97-178.6153.400125.9
78K50.3Low45.5Very low186 Ų186142.4 Ų142.481%0.80980%0.804SS**  trans113.8105.9152.8-64.4-176.5-179.2-176.40114
79S41Very low45.7Very low110 Ų110147.1 Ų147.177%0.76981%0.811SS**  78.7119.651106.30000116.5
80K47.6Very low45.5Very low193 Ų193151.7 Ų151.784%0.83982%0.815SS**  trans152.2101.6149.3-87.6177178.3-170.10109.8
81Q41.1Very low45.6Very low181 Ų181151 Ų15185%0.84681%0.811SS**  96.3131.879-155.7-178.911.300112.5
82P43.6Very low45.3Very low125 Ų125150.9 Ų150.981%0.81282%0.815SS**  trans-106.7166.7-17440-32000114.2
83A50.4Low44.9Very low101 Ų101149.6 Ų149.684%0.83581%0.812SS**  trans-151.9124.1164.400000112.4
84D39.6Very low45.3Very low157 Ų157150.3 Ų150.384%0.8481%0.814SS**  trans-57.6152160.1-89.1-47.1000112.1
85V44.4Very low44.9Very low147 Ų147153 Ų15389%0.89181%0.814SS**  -164.8131.7128.5168.70000110.4
86V41.9Very low44.5Very low111 Ų111154.8 Ų154.867%0.67382%0.819SS**  trans-68.8143174.7171.60000113.1
87N41.5Very low44.1Very low162 Ų162148.1 Ų148.187%0.86681%0.81SS**  -175.7141.3127.2-101.6-16.9000115
88A40.7Very low44Very low80 Ų80147.9 Ų147.966%0.66181%0.809SS**  trans-74.8166.7178.600000113.7
89I47.7Very low43.6Very low169 Ų169148.1 Ų148.187%0.86781%0.812SS**  168.4146.5125-80.5154.3000111
90Y44.6Very low43.7Very low226 Ų226150.2 Ų150.289%0.88681%0.814SS**  trans-64.1175.7-164.3-107.2-114.1000119
91P45Very low43.4Very low113 Ų113147.9 Ų147.973%0.73482%0.816SS**  trans-100.7173-159.141.4-33.2000115.1
92S45Very low43.6Very low122 Ų122148.4 Ų148.485%0.85382%0.815SS**  trans-142135.2171-175.40000112.6
93Q42.2Very low43.5Very low173 Ų173153.1 Ų153.181%0.80882%0.817SS**  trans-75.7163.9174-61.6-162.3-700113.5
94M53.3Low43.4Very low171 Ų171155 Ų15584%0.84281%0.813SS**  trans-177.4108.6142-83.3-102.2166.800107.7
95K44Very low43.5Very low179 Ų179157 Ų15778%0.77882%0.815SS**  76.3124.188.7-86-170.9177.5-178.60117.6
96C36.2Very low43.9Very low126 Ų126156 Ų15685%0.85181%0.811SS**  trans62.1146.1149.3-70.50000118.6
97S41Very low43.8Very low105 Ų105158 Ų15873%0.73482%0.818SS**  cis-162.9151.630.4-171.80000111.4
98E42.9Very low44.3Very low169 Ų169155.8 Ų155.879%0.7982%0.815SS**  trans-64.2150.1164.5-67.116912800112.4
99H42.2Very low44.4Very low191 Ų191157.3 Ų157.388%0.88482%0.821SS**  trans-158119.8142.1-94.2-63.2000111.5
100L43.7Very low44.6Very low154 Ų154155.1 Ų155.181%0.80682%0.818SS**  trans-64.8143.3163.4-80.7108.1000111.4
101T41.5Very low44.8Very low143 Ų143153.8 Ų153.888%0.87782%0.82SS**  trans-157.7125.9135.8-41.60000112.2
102K44.8Very low44.6Very low192 Ų192157.6 Ų157.684%0.83583%0.825SS**  trans-66.7141.3166.5-70.9168.9170.7174.70111.4
103R41.7Very low44.8Very low225 Ų225159 Ų15985%0.84982%0.822SS**  trans-170.9116.7135.5-128.7163.2173.6159.8-0.8115.3
104N48.2Very low44.8Very low140 Ų140157.6 Ų157.675%0.74982%0.82SS**  trans61.2119.4134.4-59-1.7000122.9
105F40.7Very low44.2Very low199 Ų199158.2 Ų158.287%0.87382%0.818SS**  trans-61.7161.6147.1-85.8-92.4000111.5
106P52.9Low44.2Very low125 Ų125158.1 Ų158.181%0.81282%0.82SS**  -144.5159.593.735.2-16.7000116.2
107D40.7Very low44.4Very low154 Ų154158.7 Ų158.782%0.82482%0.815SS**  trans-75.3146.5174.5-161.41.9000111.7
108S51.3Low44.7Very low116 Ų116158.7 Ų158.781%0.81182%0.815SS**  trans-156.6121.3163.254.30000113.3
109S42.4Very low44.7Very low111 Ų111158 Ų15878%0.77681%0.811SS**  trans-58.4160.7178.1178.60000116.4
110P52.1Low44.7Very low123 Ų123156.3 Ų156.380%0.79980%0.802SS**  trans-97.1148.5177.836.9-30.7000113.4
111E49Very low44.6Very low199 Ų199155.8 Ų155.893%0.9380%0.795SS**  trans-136.2139.1170.1-151.5171.5-166.300111.8
112K41.1Very low44.7Very low193 Ų193156.3 Ų156.384%0.83979%0.787SS**  trans-72.3160.1-175.9-64.3169.3174.8174.60111.8
113L48Very low44.6Very low152 Ų152152.6 Ų152.680%0.79678%0.776SS**  trans-171122.3138.3-98.6163.9000111.4
114N42.5Very low45Very low143 Ų143148.3 Ų148.377%0.76577%0.771SS**  trans37159.1138.4-60-13.7000122.2
115K41.5Very low44.5Very low184 Ų184149.2 Ų149.280%0.878%0.775SS**  cis171.3163.9-26.3-149.5-179.5-175.8-173.60104.1
116E43.4Very low44.6Very low176 Ų176145.8 Ų145.882%0.82278%0.776SS**  trans78.5149.2170.2-71.4177.6125.100118.3
117D41.5Very low43.8Very low139 Ų139145.8 Ų145.874%0.74377%0.774SS**  cis-173.9161.8-34.4-129.9-32.1000106.8
118S46.4Very low44Very low104 Ų104144.3 Ų144.373%0.72778%0.775SS**  trans75.8143.7164.5-50.70000117.3
119Q43.2Very low43.3Very low155 Ų155146 Ų14672%0.72478%0.775SS**  cis-169.7139.620.5-138.2179.9-5.800111.6
120K42Very low43.5Very low156 Ų156148.3 Ų148.368%0.67878%0.777SS**  trans67.3132.3131.7-93.8-179.9176.1-176.20126
121H42Very low42.8Very low143 Ų143147.2 Ų147.266%0.66277%0.772SS**  trans118.3105.5139.7-75.4-66000115.4
122Q43.4Very low43.1Very low154 Ų154147.2 Ų147.272%0.7277%0.769SS**  60.9135.186.7-107.5-172.8-27.200112.4
123N42.1Very low42.8Very low113 Ų113147.4 Ų147.460%0.60477%0.765SS**  cis-168.7163.620-146.816.6000110.6
124D50Low42.6Very low136 Ų136148.1 Ų148.173%0.72777%0.768SS**  trans78.5127.2146.2-59.5-31.3000125.8
125N38.4Very low42.4Very low158 Ų158148.8 Ų148.885%0.84576%0.764SS**  trans-64.6149.3170.7-74-39.2000114.4
126S42.8Very low42.6Very low128 Ų128148.5 Ų148.590%0.89576%0.764SS**  trans-161.1133.2133.4-105.80000113.7
127V36.7Very low42.8Very low125 Ų125146.1 Ų146.176%0.75876%0.755SS**  trans-78.7140.9177.7171.60000109.9
128S44.7Very low42.3Very low122 Ų122147.5 Ų147.585%0.85376%0.762SS**  trans-156.8114.8153.8-77.20000111.8
129N36.1Very low42.3Very low151 Ų151148 Ų14881%0.80776%0.761SS**  trans-61.5142.1169.3-85.6-59.1000112.2
130I47.5Very low42Very low161 Ų161146.2 Ų146.283%0.82676%0.761SS**  trans-138116146.6-51.1176.5000110
131S35.9Very low41.6Very low99 Ų99144.2 Ų144.269%0.69277%0.767SS**  trans-83.8134.3174.2172.30000111
132K55.6Low41.4Very low200 Ų200141.9 Ų141.987%0.8777%0.772SS**  trans-14682.5154.2-72.2-165.3-178.8173.90112.1
133R35.9Very low41Very low197 Ų197140.4 Ų140.474%0.74377%0.773SS**  6.5121127.1-155.4179.5-170.9-172.52.3116.8
134L42Very low40.9Very low166 Ų166141.1 Ų141.187%0.86978%0.782SS**  trans-143.6116.5141.7-139.388.3000109.6
135K39.3Very low40.2Very low158 Ų158142.5 Ų142.569%0.68778%0.784SS**  trans-95.4143.4172.1-67.7-177.7168.8-166.40108
136F45.4Very low40.4Very low178 Ų178140.6 Ų140.678%0.78178%0.777SS**  trans-158100.9145.1-92.3-74.6000108
137I47.3Very low40.3Very low126 Ų126140.9 Ų140.965%0.64677%0.769SS**  93.5105.796.8-74.3-173.7000111.9T139I137-T139 WeakPolarHBondContact CG2-OG1 3.44Å
138D32.4Very low40.4Very low167 Ų167140.8 Ų140.889%0.89377%0.774SS**  trans-68.9139.5154.5-80.5-47.6000109.5
139T44.8Very low40.7Very low114 Ų114140.8 Ų140.870%0.69977%0.771SS**  trans-139.895.3165.7-50.40000109.6I137I137-T139 WeakPolarHBondContact CG2-OG1 3.44Å
140T37.7Very low40.8Very low119 Ų119138.2 Ų138.273%0.7377%0.765SS**  trans19.5125.4134.851.50000119.9
141S33.9Very low40.7Very low113 Ų113137.2 Ų137.279%0.7976%0.761SS**  50.3110.1122.3-165.40000118.5
142A38.2Very low41.1Very low95 Ų95139.7 Ų139.779%0.78577%0.766SS**  trans-144.9102.9145.200000109.5
143V34.5Very low40.7Very low122 Ų122136.4 Ų136.474%0.73976%0.762SS**  trans-60.3124.1159.3170.40000107.7Q145V143-Q145 HydrophobicContact CG1-CB 4.49Å
144V40.7Very low41.1Very low128 Ų128134.8 Ų134.878%0.77677%0.769SS**  trans-121.9101.7162.1177.80000108.2V146V144-V146 HydrophobicContact CG1-CG2 4.02Å
145Q34.4Very low41.1Very low165 Ų165130.1 Ų130.177%0.77176%0.761SS**  trans-79.3120.6170.6-178.4-177.13.200108V143V143-Q145 HydrophobicContact CG1-CB 4.49Å
146V42.7Very low41.4Very low118 Ų118127.5 Ų127.572%0.71576%0.762SS**  trans-139.494.1164-174.20000109.9V144V144-V146 HydrophobicContact CG1-CG2 4.02Å
147N40.3Very low41.8Very low135 Ų135128.7 Ų128.772%0.72277%0.767SS**  trans48.1106.6132.5-54.4-10.9000119.9
148S38.5Very low41.5Very low123 Ų123127.2 Ų127.286%0.8677%0.766SS**  trans-89.2149.9143.9-51.40000109.9
149P52.2Low42.5Very low121 Ų121126.8 Ų126.879%0.78676%0.761SS**  trans-123.3137.3142.829.5-15.1000112.5
150S38.4Very low42.4Very low98 Ų98129.9 Ų129.969%0.68577%0.768SS**  trans-37.3151.4165.549.80000117
151N44.4Very low43.3Very low140 Ų140129.7 Ų129.775%0.74977%0.771SS**  -168.5108.8129.1-83.5-28.7000107.9
152L44.6Very low43.7Very low151 Ų151132.5 Ų132.579%0.79177%0.772SS**  68.9112.397.2-76.8168.2000113.7
153V48.2Very low43.8Very low131 Ų131133.8 Ų133.879%0.79477%0.772SS**  164.6106.7116.2161.50000110.8
154N43.5Very low44.7Very low163 Ų163137 Ų13787%0.87278%0.779SS**  trans46.6133.1132.8-91.1-2.2000124.5
155G42.7Very low44.8Very low68 Ų68137.2 Ų137.270%0.70178%0.776SS**  trans108.7128.8134.200000115.2
156S45.7Very low45.7Very low102 Ų102136.4 Ų136.471%0.71378%0.782SS**  cis172.3141.4-11.9330000107.2
157K52.6Low45.7Very low204 Ų204140.1 Ų140.189%0.88778%0.784SS**  trans71.9148.4151.1-66.5174.8-176.1-173.80118.3
158C41.6Very low46.4Very low94 Ų94143.7 Ų143.764%0.63579%0.793SS**  cis176.4166.6-9.6-174.70000107.2
159M54.2Low46.6Very low159 Ų159146.4 Ų146.478%0.78379%0.789SS**  trans87102.2171.7-50.4-55.6164.500115.2
160E41.4Very low46.7Very low179 Ų179143.7 Ų143.784%0.83678%0.783SS**  cis75.5110.139.9-163.8163.5-168.300115.7
161S57.3Low46.9Very low115 Ų115145.4 Ų145.480%0.80479%0.785SS**  trans155.6140.7146.544.30000108.6
162Q42.3Very low46.9Very low171 Ų171144.7 Ų144.780%0.79978%0.78SS**  cis-174.3136.4-14.3177.3-176.918.700104.5
163P39.7Very low46.8Very low122 Ų122143.8 Ų143.879%0.79278%0.776SS**  trans-104.4151.6175.135.5-26.3000112
164Q54.4Low46.7Very low191 Ų191143.5 Ų143.589%0.89378%0.775SS**  trans-125.8134.1164.7-92.9-152.5-14.800113.4
165D41.7Very low46.7Very low131 Ų131140.2 Ų140.270%0.70177%0.765SS**  trans-53.9153.8173.3-94.2-56.7000115.7
166T53.4Low46.7Very low149 Ų149143.2 Ų143.291%0.91477%0.769SS**  -161.3131113.60.30000113.7
167R41.7Very low46.4Very low196 Ų196143.7 Ų143.774%0.7477%0.772SS**  trans-80.7158.1178-63.2174.2-176.2-171.3-1.3113.5
168F55.3Low45.6Very low210 Ų210142.9 Ų142.992%0.92177%0.772SS**  trans-170.5113.4132.9-91.9-74.9000105.6
169K44.4Very low45.4Very low180 Ų180144.7 Ų144.778%0.78378%0.78SS**  cis75.1112.143.9-159.8170.9-178-178.50116.3
170G54.3Low44.6Very low64 Ų64142 Ų14266%0.6678%0.777SS**  trans153.490.5159.400000111.2
171N41.8Very low44.8Very low134 Ų134141.5 Ų141.572%0.71778%0.778SS**  68.3138.493.9-74.76000113.3
172L44.5Very low43.9Very low125 Ų125140.9 Ų140.965%0.65477%0.774SS**  cis-165.9152.4-1.8-110.9147.5000106.3
173D41.5Very low43.6Very low131 Ų131139.4 Ų139.470%0.70178%0.777SS**  trans56123.3151.8-56.3-27.6000122
174T45.9Very low43.4Very low125 Ų125138.5 Ų138.577%0.76778%0.779SS**  162.2120.294.2-52.10000111.5
175S43.9Very low42.7Very low94 Ų94135.4 Ų135.466%0.65778%0.779SS**  trans41.3123.8149.776.10000124.1
176V42.6Very low42.8Very low132 Ų132141 Ų14180%0.879%0.79SS**  62.2111.8125.7-173.10000118.6
177S40.1Very low42.1Very low111 Ų111139.2 Ų139.278%0.77678%0.784SS**  -175.3134.5109.1-77.90000112.1
178Q35.2Very low42.4Very low188 Ų188135.6 Ų135.688%0.87979%0.786SS**  trans-53.9140.5171.4-68.4159.7-33.700112.1
179T38.6Very low41.9Very low131 Ų131131 Ų13180%0.80478%0.78SS**  trans-145.8105.5146.1-42.70000109.9
180S37.5Very low42Very low102 Ų102126.8 Ų126.871%0.71377%0.773SS**  trans-67126167.521.60000110.2S182S180-S182 PolarHBondContact O-N 3.19Å
181I44.3Very low41.6Very low169 Ų169133.1 Ų133.187%0.86778%0.782SS**  trans-92.896.5168.6-54.1176.2000107
182S38.8Very low41.7Very low103 Ų103134.6 Ų134.672%0.7279%0.789SS**  trans-70.9134.4175.2-79.30000112.1S180S180-S182 PolarHBondContact O-N 3.19Å
183T35.4Very low41.3Very low139 Ų139140.4 Ų140.485%0.85380%0.802SS**  trans-53.2124.5155.340.80000111.8
184A35.8Very low41.8Very low103 Ų103140.5 Ų140.585%0.85181%0.808SS**  trans-177112.5149.500000110.2
185S40.7Very low41.8Very low126 Ų126139 Ų13988%0.88181%0.807SS**  trans-126.6115.9152.465.80000109
186R43.3Very low41.8Very low250 Ų250142.8 Ų142.894%0.94382%0.821SS**  trans-72.6142.1172.7-90.1169.1146.7-174.9-6.9109.9
187S39Very low41.8Very low110 Ų110141.4 Ų141.477%0.76982%0.816SS**  trans-77.8-174.5167.7590000112
188P48.3Very low42.5Very low121 Ų121145.1 Ų145.179%0.78682%0.824SS**  -124.9161.4-88.433.4-14.6000112.6
189S44Very low43.1Very low113 Ų113146.4 Ų146.479%0.7982%0.821SS**  trans-149121.6170.6-166.90000114
190S46.5Very low44Very low92 Ų92148.3 Ų148.364%0.64383%0.825SS**  trans55.8120.1146.968.50000122.4
191K45.3Very low44.9Very low197 Ų197148.1 Ų148.186%0.85782%0.824SS**  trans58.9103.3136.8-59.6173.7-177.8175.70117.7
192L44.6Very low45.9Very low165 Ų165149.2 Ų149.286%0.86482%0.822SS**  -174.6139.9115.4-137.968.4000112.6
193R36.3Very low47.3Very low246 Ų246150.7 Ų150.793%0.92883%0.827SS**  trans-67110.4179-171.2-173.8-79.8159.6-11.2110.5
194V51.3Low49.4Very low134 Ų134149 Ų14981%0.81281%0.808SS**  trans-145.1135.8167.4-175.10000110.5
195A46.6Very low51.7Low92 Ų92147.7 Ų147.776%0.7679%0.792SS**  trans-58.5146.9-166.200000117.1S197A195-S197 PolarHBondContact O-N 2.89Å
196N43.9Very low53.9Low175 Ų175145.6 Ų145.694%0.93677%0.774SS**  trans-66.290.2169.1-74.6-27.3000111.1
197S43Very low55.9Low102 Ų102135.5 Ų135.571%0.71374%0.744SS**  trans-125.970.2158.7173.50000108.5A195 R199A195-S197 PolarHBondContact O-N 2.89Å; S197-R199 PolarHBondContact O-N 2.99Å
198M53.5Low58.4Low189 Ų189134.2 Ų134.293%0.93173%0.726SS**  trans-75.994.5178.6-158.5166.8160.100109L200M198-L200 PolarHBondContact O-N 3.19Å
199R49.2Very low60.4Low216 Ų216133.2 Ų133.282%0.81571%0.713SS**  trans-52.3132.2172.7-76.3170.9144.2172.6-7.7110.4S197 S201S197-R199 PolarHBondContact O-N 2.99Å; R199-S201 PolarHBondContact O-N 3.24Å
200L57Low62.6Low171 Ų171128.7 Ų128.790%0.89568%0.681SS**  trans-67.648.4172.9-63.5169.4000112.7M198 K202M198-L200 PolarHBondContact O-N 3.19Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.3Å
201S56.4Low64.6Low98 Ų98131.8 Ų131.869%0.68569%0.685SS**  trans-86.36.9-170.960.60000115.2R199R199-S201 PolarHBondContact O-N 3.24Å
202K64.8Low66.7Low191 Ų191126 Ų12683%0.8367%0.674SS**  trans-136.469.6179.8-63.9-174.8-178.4-179.20111.2L200 K204L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.3Å; K202-K204 PolarHBondContact O-N 3.5Å
203V67.9Low68.7Low135 Ų135119.5 Ų119.582%0.81865%0.645SS**  trans-77.9103.9163-1710000106.2
204K80.4Confident71Confident103 Ų103109.8 Ų109.845%0.44862%0.621SS.*  trans-66.5141.1172.3-70.8-171.8170-1390109.2K202 E208 L209K202-K204 PolarHBondContact O-N 3.5Å; K204-E208 HydrophobicContact CB-CB 4.42Å; K204-E208 HydrophobicContact CD-CG 4.39Å; K204-E208 VanDerWaalsContact CD-OE1 3.3Å; K204-E208 WeakPolarHBondContact CD-OE1 3.45Å; K204-E208 WeakPolarHBondContact CE-OE1 3.49Å; K204-E208 WeakPolarHBondContact CG-OE2 3.46Å; K204-E208 IonicContact NZ-OE1 3.82Å; K204-E208 PolarHBondContact NZ-OE1 2.6Å; K204-L209 HydrophobicContact CB-CD2 4.04Å; K204-L209 HydrophobicContact CB-CG 4.09Å; K204-L209 HydrophobicContact CD-CD2 4.16Å
205S83.8Confident72.7Confident76 Ų76111.7 Ų111.753%0.53163%0.627SS.*  trans-62146.1174177.40000109.9A207 E208 L209S205-A207 PolarHBondContact O-N 2.85Å; S205-A207 VanDerWaalsContact O-N 3.12Å; S205-E208 WeakPolarHBondContact O-CA 3.47Å; S205-E208 WeakPolarHBondContact O-CB 3.29Å; S205-E208 PolarHBondContact O-N 3.33Å; S205-L209 PolarHBondContact O-N 3.41Å
206T86Confident74.7Confident81 Ų81113 Ų11350%0.49763%0.629SS.*Hα-helixtrans-51.7-36.4175.2-53.10000111.5E208 L209 V210 I225T206-E208 PolarHBondContact O-N 3.31Å; T206-L209 PolarHBondContact O-N 3.31Å; T206-V210 HydrophobicContact CG2-CG2 4.46Å; T206-V210 VanDerWaalsContact O-CG2 3.3Å; T206-V210 WeakPolarHBondContact O-CG2 3.49Å; T206-V210 PolarHBondContact O-N 2.86Å; T206-I225 HydrophobicContact CG2-CG2 3.71Å
207A87.1Confident76.8Confident38 Ų38107 Ų10731%0.31460%0.596SS.*Hα-helixtrans-63.3-39.3175.700000113.1S205 V210 Q211 L226S205-A207 PolarHBondContact O-N 2.85Å; S205-A207 VanDerWaalsContact O-N 3.12Å; A207-V210 PolarHBondContact O-N 2.94Å; A207-Q211 WeakPolarHBondContact O-CB 3.44Å; A207-Q211 WeakPolarHBondContact O-CG 3.33Å; A207-Q211 PolarHBondContact O-N 3.15Å; A207-L226 HydrophobicContact CB-CD2 3.95Å
208E90.1Very high79.2Confident83 Ų83106.9 Ų106.939%0.38859%0.588SS.*Hα-helixtrans-70.1-35177.5-164.3-167154.900111.1K204 S205 T206 A212K204-E208 HydrophobicContact CB-CB 4.42Å; K204-E208 HydrophobicContact CD-CG 4.39Å; K204-E208 VanDerWaalsContact CD-OE1 3.3Å; K204-E208 WeakPolarHBondContact CD-OE1 3.45Å; K204-E208 WeakPolarHBondContact CE-OE1 3.49Å; K204-E208 WeakPolarHBondContact CG-OE2 3.46Å; K204-E208 IonicContact NZ-OE1 3.82Å; K204-E208 PolarHBondContact NZ-OE1 2.6Å; S205-E208 WeakPolarHBondContact O-CA 3.47Å; S205-E208 WeakPolarHBondContact O-CB 3.29Å; S205-E208 PolarHBondContact O-N 3.33Å; T206-E208 PolarHBondContact O-N 3.31Å; E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.08Å
209L90.9Very high80.9Confident100 Ų100102.1 Ų102.152%0.52457%0.573SS.*Hα-helixtrans-68.1-41.7175.1-67.8174.6000111.9K204 S205 T206 A212 A213K204-L209 HydrophobicContact CB-CD2 4.04Å; K204-L209 HydrophobicContact CB-CG 4.09Å; K204-L209 HydrophobicContact CD-CD2 4.16Å; S205-L209 PolarHBondContact O-N 3.41Å; T206-L209 PolarHBondContact O-N 3.31Å; L209-A212 PolarHBondContact O-N 3.06Å; L209-A213 PolarHBondContact O-N 3.03Å
210V90.4Very high83Confident19 Ų1996 Ų9612%0.11556%0.559CS.*Hα-helixtrans-65.4-43.1176.2173.10000110.5T206 A207 A213 A222 I225 L226T206-V210 HydrophobicContact CG2-CG2 4.46Å; T206-V210 VanDerWaalsContact O-CG2 3.3Å; T206-V210 WeakPolarHBondContact O-CG2 3.49Å; T206-V210 PolarHBondContact O-N 2.86Å; A207-V210 PolarHBondContact O-N 2.94Å; V210-A213 PolarHBondContact O-N 2.98Å; V210-A222 HydrophobicContact CG1-CB 3.65Å; V210-I225 HydrophobicContact CG2-CB 4.29Å; V210-I225 HydrophobicContact CG2-CG2 3.7Å; V210-L226 HydrophobicContact CB-CD2 4.42Å; V210-L226 HydrophobicContact CG1-CD1 4.37Å; V210-L226 HydrophobicContact CG1-CG 4.41Å; V210-L226 HydrophobicContact CG2-CD2 4.37Å
211Q89.3Confident84.6Confident156 Ų15690.7 Ų90.773%0.72953%0.534SS*.Hα-helixtrans-64.8-40.2174.1-74.8177.46.400112.6A207 A213 G214A207-Q211 WeakPolarHBondContact O-CB 3.44Å; A207-Q211 WeakPolarHBondContact O-CG 3.33Å; A207-Q211 PolarHBondContact O-N 3.15Å; Q211-A213 PolarHBondContact O-N 3.22Å; Q211-G214 PolarHBondContact O-N 3.1Å; Q211-G214 VanDerWaalsContact O-N 3.1Å
212A88.9Confident86.3Confident76 Ų7686.9 Ų86.963%0.62851%0.509SS*.Hα-helixtrans-67.9-22.8178.100000113.2E208 L209 G214E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.08Å; L209-A212 PolarHBondContact O-N 3.06Å; A212-G214 VanDerWaalsContact C-N 3.29Å
213A86.3Confident87.6Confident29 Ų2982 Ų8224%0.2449%0.491CS..Hα-helixtrans-74.2-20.1173.300000112.7L209 V210 Q211 D215 C216 I217L209-A213 PolarHBondContact O-N 3.03Å; V210-A213 PolarHBondContact O-N 2.98Å; Q211-A213 PolarHBondContact O-N 3.22Å; A213-D215 PolarHBondContact O-N 3.39Å; A213-C216 WeakPolarHBondContact O-CB 3.43Å; A213-C216 PolarHBondContact O-N 2.94Å; A213-C216 VanDerWaalsContact O-N 3.11Å; A213-C216 PolarHBondContact O-SG 3.05Å; A213-I217 HydrophobicContact CB-CD1 3.44Å; A213-I217 VanDerWaalsContact CB-CD1 3.44Å; A213-I217 HydrophobicContact CB-CG1 3.84Å
214G84.9Confident88.7Confident42 Ų4280.3 Ų80.343%0.43347%0.471SS..G310 helixtrans51.4-133.1178.200000112.4Q211 A212 C216Q211-G214 PolarHBondContact O-N 3.1Å; Q211-G214 VanDerWaalsContact O-N 3.1Å; A212-G214 VanDerWaalsContact C-N 3.29Å; G214-C216 PolarHBondContact O-N 2.57Å; G214-C216 VanDerWaalsContact O-N 3.08Å
215D86.4Confident89.1Confident173 Ų17377.8 Ų77.893%0.92546%0.461SS*.G310 helixtrans-70.90.9-178-55.6-29.7000114.3A213 I217A213-D215 PolarHBondContact O-N 3.39Å; D215-I217 PolarHBondContact O-N 2.91Å
216C89.1Confident89.4Confident120 Ų12078.6 Ų78.681%0.81146%0.459SS*.G310 helixtrans-75.1-12.1178.1-52.80000112.8A213 G214A213-C216 WeakPolarHBondContact O-CB 3.43Å; A213-C216 PolarHBondContact O-N 2.94Å; A213-C216 VanDerWaalsContact O-N 3.11Å; A213-C216 PolarHBondContact O-SG 3.05Å; G214-C216 PolarHBondContact O-N 2.57Å; G214-C216 VanDerWaalsContact O-N 3.08Å
217I88.5Confident89.7Confident48 Ų4877.7 Ų77.725%0.24645%0.454CS..SBendtrans-125.7125.3-180-53.8177.3000107.5A213 D215 S219 T221 A222A213-I217 HydrophobicContact CB-CD1 3.44Å; A213-I217 VanDerWaalsContact CB-CD1 3.44Å; A213-I217 HydrophobicContact CB-CG1 3.84Å; D215-I217 PolarHBondContact O-N 2.91Å; I217-S219 PolarHBondContact O-N 2.97Å; I217-T221 HydrophobicContact CG2-CG2 3.67Å; I217-A222 HydrophobicContact CG2-CB 4.29Å
218D91.5Very high89.6Confident100 Ų10082.4 Ų82.454%0.53547%0.473SS..  trans-56.9139.1172.8179.610.1000110.3V220 T221 A222D218-V220 PolarHBondContact O-N 2.89Å; D218-V220 VanDerWaalsContact O-N 3.1Å; D218-V220 PolarHBondContact OD1-N 3.46Å; D218-T221 CarbonylContact O-C 3.57Å; D218-T221 WeakPolarHBondContact O-CA 3.5Å; D218-T221 WeakPolarHBondContact O-CB 3.43Å; D218-T221 PolarHBondContact O-N 3.19Å; D218-A222 PolarHBondContact O-N 2.98Å
219S91.1Very high89.3Confident89 Ų8987.2 Ų87.262%0.62249%0.488SS*.Hα-helixtrans-43.2-41.2174.761.20000113.7I217 T221 A222 D223I217-S219 PolarHBondContact O-N 2.97Å; S219-T221 PolarHBondContact O-N 3.31Å; S219-A222 PolarHBondContact O-N 2.87Å; S219-D223 WeakPolarHBondContact O-CB 3.37Å; S219-D223 PolarHBondContact O-N 3.42Å
220V91.2Very high88.3Confident87 Ų8787.9 Ų87.953%0.52749%0.491SS..Hα-helixtrans-65.6-40.1177.8-177.80000111.1D218 R224D218-V220 PolarHBondContact O-N 2.89Å; D218-V220 VanDerWaalsContact O-N 3.1Å; D218-V220 PolarHBondContact OD1-N 3.46Å; V220-R224 VanDerWaalsContact O-CG 3.25Å; V220-R224 WeakPolarHBondContact O-CG 3.46Å; V220-R224 PolarHBondContact O-N 3.07Å
221T90.7Very high87Confident61 Ų6190.9 Ų90.937%0.37451%0.513SS..Hα-helixtrans-73.7-39.1178.4-59.40000111.1I217 D218 S219 D223 R224 I225I217-T221 HydrophobicContact CG2-CG2 3.67Å; D218-T221 CarbonylContact O-C 3.57Å; D218-T221 WeakPolarHBondContact O-CA 3.5Å; D218-T221 WeakPolarHBondContact O-CB 3.43Å; D218-T221 PolarHBondContact O-N 3.19Å; S219-T221 PolarHBondContact O-N 3.31Å; T221-D223 VanDerWaalsContact C-N 3.33Å; T221-D223 PolarHBondContact O-N 3.4Å; T221-R224 PolarHBondContact O-N 3.17Å; T221-I225 HydrophobicContact CG2-CD1 4.06Å; T221-I225 VanDerWaalsContact O-CG1 3.29Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.3Å
222A92.1Very high86.1Confident18 Ų1893 Ų9315%0.14952%0.519CS..Hα-helixtrans-57.8-46.2172.500000111V210 I217 D218 S219 I225 L226V210-A222 HydrophobicContact CG1-CB 3.65Å; I217-A222 HydrophobicContact CG2-CB 4.29Å; D218-A222 PolarHBondContact O-N 2.98Å; S219-A222 PolarHBondContact O-N 2.87Å; A222-I225 PolarHBondContact O-N 3Å; A222-L226 WeakPolarHBondContact O-CB 3.36Å; A222-L226 VanDerWaalsContact O-CG 3.25Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.43Å
223D92.2Very high84.9Confident87 Ų8798 Ų9847%0.46553%0.53SS..Hα-helixtrans-63-43.1176.1-173.763.6000112.2S219 T221 I225 L226 T227S219-D223 WeakPolarHBondContact O-CB 3.37Å; S219-D223 PolarHBondContact O-N 3.42Å; T221-D223 VanDerWaalsContact C-N 3.33Å; T221-D223 PolarHBondContact O-N 3.4Å; D223-I225 VanDerWaalsContact C-N 3.3Å; D223-I225 PolarHBondContact O-N 2.81Å; D223-L226 PolarHBondContact O-N 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.47Å; D223-T227 WeakPolarHBondContact O-CG2 3.34Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 PolarHBondContact O-OG1 2.67Å
224R91.2Very high84.1Confident101 Ų101102.6 Ų102.638%0.38156%0.555SS.*Hα-helixtrans-60.8-38176.1-72.6175.577.7-173.97.5112.9V220 T221 N228 R229 S231V220-R224 VanDerWaalsContact O-CG 3.25Å; V220-R224 WeakPolarHBondContact O-CG 3.46Å; V220-R224 PolarHBondContact O-N 3.07Å; T221-R224 PolarHBondContact O-N 3.17Å; R224-N228 PolarHBondContact O-N 3.45Å; R224-R229 PolarHBondContact NE-O 2.95Å; R224-R229 PolarHBondContact O-N 3.11Å; R224-S231 PolarHBondContact NH2-OG 2.9Å
225I89.2Confident83Confident50 Ų50107.2 Ų107.226%0.25657%0.57SS.*Hα-helixtrans-69.2-46.8176-66.4165.4000110.1T206 V210 T221 A222 D223 T227 N228T206-I225 HydrophobicContact CG2-CG2 3.71Å; V210-I225 HydrophobicContact CG2-CB 4.29Å; V210-I225 HydrophobicContact CG2-CG2 3.7Å; T221-I225 HydrophobicContact CG2-CD1 4.06Å; T221-I225 VanDerWaalsContact O-CG1 3.29Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.3Å; A222-I225 PolarHBondContact O-N 3Å; D223-I225 VanDerWaalsContact C-N 3.3Å; D223-I225 PolarHBondContact O-N 2.81Å; I225-T227 VanDerWaalsContact C-N 3.32Å; I225-T227 PolarHBondContact O-N 3.08Å; I225-N228 PolarHBondContact O-N 3.02Å
226L91.2Very high82.3Confident93 Ų93103.6 Ų103.649%0.48756%0.556SS.*Hα-helixtrans-67.3-31.5-179-68.5173.5000112.8A207 V210 A222 D223A207-L226 HydrophobicContact CB-CD2 3.95Å; V210-L226 HydrophobicContact CB-CD2 4.42Å; V210-L226 HydrophobicContact CG1-CD1 4.37Å; V210-L226 HydrophobicContact CG1-CG 4.41Å; V210-L226 HydrophobicContact CG2-CD2 4.37Å; A222-L226 WeakPolarHBondContact O-CB 3.36Å; A222-L226 VanDerWaalsContact O-CG 3.25Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.43Å; D223-L226 PolarHBondContact O-N 3.31Å
227T90.8Very high81.2Confident61 Ų61103.5 Ų103.537%0.37455%0.553SS.*THydrogen-bonded Turntrans-92.22.4179600000114D223 I225 R229D223-T227 WeakPolarHBondContact O-CB 3.47Å; D223-T227 WeakPolarHBondContact O-CG2 3.34Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 PolarHBondContact O-OG1 2.67Å; I225-T227 VanDerWaalsContact C-N 3.32Å; I225-T227 PolarHBondContact O-N 3.08Å; T227-R229 PolarHBondContact O-N 3.26Å; T227-R229 VanDerWaalsContact O-N 3.13Å; T227-R229 WeakPolarHBondContact OG1-CG 3.45Å
228N85.6Confident79.5Confident137 Ų137111.9 Ų111.973%0.73358%0.582SS**THydrogen-bonded Turntrans52.227.3-172.7-69.8-56.7000113.8R224 I225 I230R224-N228 PolarHBondContact O-N 3.45Å; I225-N228 PolarHBondContact O-N 3.02Å; N228-I230 PolarHBondContact O-N 3.28Å
229R83.3Confident77.7Confident185 Ų185113.6 Ų113.670%0.69860%0.596SS**  trans-87.940.3175.2-69.9-177.3171.6-173.8-0.9111.9R224 T227 S231R224-R229 PolarHBondContact NE-O 2.95Å; R224-R229 PolarHBondContact O-N 3.11Å; T227-R229 PolarHBondContact O-N 3.26Å; T227-R229 VanDerWaalsContact O-N 3.13Å; T227-R229 WeakPolarHBondContact OG1-CG 3.45Å; R229-S231 PolarHBondContact O-N 3.27Å
230I70.5Confident75.3Confident114 Ų114115.3 Ų115.359%0.58561%0.606SS**  trans-72.5112.7168.4-47.7173.1000104.7N228 K232N228-I230 PolarHBondContact O-N 3.28Å; I230-K232 PolarHBondContact O-N 3.29Å
231S64Low72.9Confident81 Ų81115.6 Ų115.657%0.56661%0.612SS**  trans-53.7117.4175.232.30000106.8R224 R229 E233R224-S231 PolarHBondContact NH2-OG 2.9Å; R229-S231 PolarHBondContact O-N 3.27Å; S231-E233 PolarHBondContact O-N 3.34Å
232K68.9Low70.9Confident200 Ų200120.8 Ų120.887%0.8764%0.636SS**  trans-64.291.3171.7-66.5-174.3-179.7-177.30106I230 V234I230-K232 PolarHBondContact O-N 3.29Å; K232-V234 PolarHBondContact O-N 3.16Å; K232-V234 VanDerWaalsContact O-N 3.12Å
233E65.3Low68.7Low181 Ų181128 Ų12885%0.84667%0.669SS**  trans-55.9119.1168.5-166.7171.5-176.300105.9S231 D235S231-E233 PolarHBondContact O-N 3.34Å; E233-D235 PolarHBondContact O-N 3.04Å
234V68.1Low66.5Low127 Ų127132.3 Ų132.377%0.7769%0.686SS**  trans-65.3109.8-179.5174.60000105.8K232 P236K232-V234 PolarHBondContact O-N 3.16Å; K232-V234 VanDerWaalsContact O-N 3.12Å; V234-P236 WeakPolarHBondContact O-CD 3.33Å; V234-P236 VanDerWaalsContact O-N 3.13Å
235D62.4Low64.6Low139 Ų139133.3 Ų133.374%0.74371%0.705SS**PPolyproline II helixtrans-52.7117.9175.9-156.914.9000107.8E233E233-D235 PolarHBondContact O-N 3.04Å
236P70.4Confident62.4Low97 Ų97136.7 Ų136.763%0.6373%0.728SS**PPolyproline II helixtrans-61.3137.5-176.822.1-30.6000109.2V234 R238V234-P236 WeakPolarHBondContact O-CD 3.33Å; V234-P236 VanDerWaalsContact O-N 3.13Å; P236-R238 PolarHBondContact O-N 3.32Å; P236-R238 VanDerWaalsContact O-N 3.1Å
237P66.4Low60.7Low117 Ų117142.3 Ų142.376%0.7675%0.749SS**PPolyproline II helixtrans-58.2121.1-178.521.7-30.8000109.6V239P237-V239 PolarHBondContact O-N 3.13Å
238R54.5Low58.6Low225 Ų225144.8 Ų144.885%0.84976%0.764SS**PPolyproline II helixtrans-51.8116.8174-74.2-176.1-178.8147.72.4109.2P236 C240P236-R238 PolarHBondContact O-N 3.32Å; P236-R238 VanDerWaalsContact O-N 3.1Å; R238-C240 VanDerWaalsContact C-N 3.31Å; R238-C240 PolarHBondContact O-N 3.39Å
239V52.2Low56.2Low136 Ų136149.3 Ų149.382%0.82477%0.771SS**  trans-72.190.9170.7-163.90000107.2P237 S241P237-V239 PolarHBondContact O-N 3.13Å; V239-S241 PolarHBondContact O-N 3.36Å; V239-S241 VanDerWaalsContact O-N 3.13Å
240C42.1Very low54.3Low124 Ų124147.3 Ų147.384%0.83877%0.773SS**  trans-72.194.9163.7-72.90000107.6R238R238-C240 VanDerWaalsContact C-N 3.31Å; R238-C240 PolarHBondContact O-N 3.39Å
241S40.7Very low52.9Low93 Ų93146.4 Ų146.465%0.6578%0.782SS**  trans-139.889.7167.7-162.10000109.7V239V239-S241 PolarHBondContact O-N 3.36Å; V239-S241 VanDerWaalsContact O-N 3.13Å
242I47Very low51.8Low171 Ų171153.9 Ų153.988%0.87780%0.798SS**  trans-140.5119.4143.9-107.2164.2000106.7
243M46.7Very low50.4Low170 Ų170149.5 Ų149.584%0.83779%0.789SS**  trans-66.1130.4-175.7-66.617761.600110.6
244Q45.4Very low49.4Very low177 Ų177148 Ų14883%0.82779%0.786SS**  trans-74.5131.3158.3-71.2-166.8-36.800109.2T246Q244-T246 PolarHBondContact O-N 3.49Å
245P52.6Low48.2Very low121 Ų121147.8 Ų147.879%0.78679%0.79SS**  trans-77.9104.8168.328.3-29.3000110K247P245-K247 PolarHBondContact O-N 2.84Å
246T42.1Very low47.1Very low121 Ų121144.3 Ų144.374%0.74279%0.788SS**  trans-65.4105.6164.6-46.70000109.4Q244 T248Q244-T246 PolarHBondContact O-N 3.49Å; T246-T248 HydrophobicContact CG2-CG2 4.28Å; T246-T248 PolarHBondContact O-N 3.3Å
247K54.8Low45.9Very low212 Ų212145.1 Ų145.192%0.92280%0.796SS**  trans-80.1106.3164.2-84.8-178.7174.11740109.2P245P245-K247 PolarHBondContact O-N 2.84Å
248T46.7Very low45.1Very low112 Ų112148.3 Ų148.369%0.68780%0.8SS**  trans-99.7148.3166.8340000110.8T246T246-T248 HydrophobicContact CG2-CG2 4.28Å; T246-T248 PolarHBondContact O-N 3.3Å
249R37Very low44.5Very low232 Ų232143.2 Ų143.288%0.87580%0.799SS**  trans70.6144.1159.9-78.3-179.5144.1-173.9-4.3115.8
250L43.1Very low44.4Very low144 Ų144141.7 Ų141.775%0.75480%0.795SS**  cis-158.5144.127.1-153.982.7000108.6
251A39.5Very low45Very low94 Ų94140.3 Ų140.378%0.77779%0.787SS**  trans-74.4152.517700000112.9
252R42.1Very low45.5Very low238 Ų238146.4 Ų146.490%0.89880%0.795SS**  trans-144.7106.5157.8-141.9174.8178.6166.6-0.5111.1
253T39Very low45.4Very low109 Ų109143.8 Ų143.867%0.66979%0.791SS**  trans38.2127.8141.9640000120.4
254N45.4Very low45.3Very low149 Ų149141.7 Ų141.780%0.79779%0.788SS**  -169.7122109.2-89-14.4000113.7
255S41.6Very low45.1Very low122 Ų122138.3 Ų138.385%0.85378%0.783SS**  trans44.7128.9141.462.10000123.1
256G40.8Very low44.5Very low67 Ų67137.3 Ų137.369%0.69179%0.785SS**  trans141.370.2152.300000113.4
257S44.2Very low44.8Very low114 Ų114139 Ų13980%0.79779%0.79SS**  96.1124.496.8-68.10000114.7
258Q49.1Very low44.3Very low183 Ų183135.6 Ų135.686%0.85578%0.782SS**  trans101.5113.7151.2-46.7-153.3-0.200120.4
259S42.7Very low44.4Very low118 Ų118138 Ų13883%0.82579%0.79SS**  trans66.6135.4145.6-71.20000118.8
260S50.1Low44.7Very low104 Ų104135.2 Ų135.273%0.72779%0.787SS**  cis-172.3136.47.21740000107.9
261S55.2Low44.9Very low96 Ų96135.6 Ų135.667%0.67179%0.79SS**  trans39.9138.1145116.60000120.4
262R49.5Very low45Very low220 Ų220135 Ų13583%0.8378%0.781SS**  cis-166.4136.128.6-105.4171.2-165.9179.14.5106.2
263C44.9Very low45.2Very low116 Ų116132.7 Ų132.778%0.78478%0.779SS**  56.2135.3105.9-58.30000115
264V45.5Very low44.9Very low127 Ų127132.4 Ų132.477%0.7778%0.782SS**  cis-172.6145.419.7130.20000109.5
265S40.2Very low45.5Very low105 Ų105131.7 Ų131.773%0.73479%0.785SS**  trans46.2126.9145.5-54.50000125.9
266A41.6Very low45.5Very low101 Ų101134.3 Ų134.384%0.83578%0.781SS**  58.7120.712200000120.8
267N48.5Very low45.7Very low155 Ų155137.5 Ų137.583%0.82979%0.792SS**  -164.3148111.4-153.70.5000111.6
268N44.2Very low45.2Very low141 Ų141138.7 Ų138.775%0.75479%0.789SS**  trans-72.9150.4171.4-60.6-34.7000110.3
269N48.2Very low44.6Very low162 Ų162135 Ų13587%0.86678%0.784SS**  trans-161.8132.6137.5-112.4-4.9000111.8
270E43.9Very low44.6Very low174 Ų174136.2 Ų136.281%0.81378%0.779SS**  trans-58.3153.4164.5-59.8177.4125.500110.5
271N46.5Very low44.4Very low152 Ų152139 Ų13981%0.81379%0.785SS**  trans-172.7110.4140.6-105.738.4000110.2
272S41.4Very low43.6Very low83 Ų83141.7 Ų141.758%0.5879%0.792SS**  trans14.8131.3140.455.70000119.8
273H45.8Very low43.7Very low188 Ų188138.7 Ų138.787%0.8779%0.791SS**  -178114.3116.8-91.5-61.8000111.2
274S34.1Very low43.7Very low103 Ų103140.2 Ų140.272%0.7278%0.784SS**  trans-106.6144.916258.30000109.7
275P57.6Low43.9Very low134 Ų134140.7 Ų140.787%0.8779%0.79SS**  trans-103130.9154.632.3-21.4000110.7
276K40.7Very low44Very low177 Ų177142 Ų14277%0.7778%0.784SS**  trans-113.6122.2177.6-168.4176.6-170.7174.70105.9
277C45.4Very low43.9Very low135 Ų135143.4 Ų143.491%0.91278%0.782SS**  trans-139.2114.7163.8-86.40000109.4
278N34Very low43.5Very low138 Ų138146.9 Ų146.974%0.73879%0.786SS**  trans-90.6156.3171.8-63-24.8000110
279S36.9Very low43.5Very low106 Ų106147.7 Ų147.774%0.74179%0.789SS**  trans162.495.4137.5-178.10000108.2
280I41.7Very low43.2Very low144 Ų144147.4 Ų147.474%0.73878%0.783SS**  56.3104.494.7-55.3171.2000112.9
281L47.4Very low43Very low163 Ų163145.1 Ų145.185%0.85378%0.784SS**  trans-153.799.2142.7-119.1152.3000108.2
282D37.9Very low42.7Very low151 Ų151148.1 Ų148.181%0.80778%0.784SS**  trans-61.4128.8167.4-92.3-43.4000110.7
283I51.2Low42.7Very low157 Ų157152.5 Ų152.581%0.80580%0.795SS**  trans-138111.4153.3-53.6179.1000107.9
284K45.9Very low42.5Very low149 Ų149149.8 Ų149.865%0.64879%0.787SS**  trans-21.9140.2169.9-88.4177.4158.8-166.80117.2E286K284-E286 WeakPolarHBondContact CE-OE2 3.47Å; K284-E286 VanDerWaalsContact NZ-CD 3.27Å; K284-E286 IonicContact NZ-OE1 2.69Å; K284-E286 PolarHBondContact NZ-OE1 3.27Å; K284-E286 VanDerWaalsContact NZ-OE1 3.12Å; K284-E286 IonicContact NZ-OE2 2.72Å; K284-E286 PolarHBondContact NZ-OE2 3.16Å
285P48Very low43.3Very low136 Ų136150.9 Ų150.988%0.88379%0.792SS**  trans-101.8115142.333.2-20.9000109.9
286E42.7Very low42.7Very low134 Ų134148.7 Ų148.763%0.62679%0.785SS**  trans-132.7118.4171.7-155.9167.4-142.200101.8K284K284-E286 WeakPolarHBondContact CE-OE2 3.47Å; K284-E286 VanDerWaalsContact NZ-CD 3.27Å; K284-E286 IonicContact NZ-OE1 2.69Å; K284-E286 PolarHBondContact NZ-OE1 3.27Å; K284-E286 VanDerWaalsContact NZ-OE1 3.12Å; K284-E286 IonicContact NZ-OE2 2.72Å; K284-E286 PolarHBondContact NZ-OE2 3.16Å
287T39.5Very low42.8Very low129 Ų129146.8 Ų146.879%0.79179%0.788SS**  -168.8134.350.1-32.10000106.9
288Y40.9Very low43Very low229 Ų229151.2 Ų151.290%0.89879%0.787SS**  trans-66.3128163.7-102-107000108.9
289L44.9Very low43.6Very low157 Ų157151.8 Ų151.882%0.82279%0.786SS**  trans-104.692.2164.8-122.2155.4000107.4C291L289-C291 PolarHBondContact O-N 3.27Å
290E41.9Very low44Very low157 Ų157155.6 Ų155.673%0.73479%0.789SS**  trans-7397.8169.2-173.9178.717700108.2R292E290-R292 HydrophobicContact CG-CB 4.35Å; E290-R292 PolarHBondContact O-N 2.84Å
291C38Very low43.9Very low125 Ų125151.8 Ų151.885%0.84579%0.785SS**  trans-8191.2167.4-75.30000108.8L289L289-C291 PolarHBondContact O-N 3.27Å
292R41.6Very low43.8Very low216 Ų216156 Ų15682%0.81579%0.79SS**  trans-124.397167.5-156.9-174-161.5-1103.2108.4E290E290-R292 HydrophobicContact CG-CB 4.35Å; E290-R292 PolarHBondContact O-N 2.84Å
293E40.4Very low43.7Very low174 Ų174156.5 Ų156.581%0.81379%0.793SS**  trans-150.8105.5163.3-149.1168.3-176.500113.5
294N42.9Very low43.6Very low131 Ų131157.1 Ų157.170%0.70180%0.796SS**  trans44.8120.5142.9-59.1-33.9000121.3
295P49.8Very low43.4Very low126 Ų126155.7 Ų155.782%0.81880%0.801SS**  trans-79.7115.3147.731.4-24.6000109.1V297P295-V297 PolarHBondContact O-N 3.17Å
296A44.5Very low43.3Very low88 Ų88154.5 Ų154.573%0.72780%0.795SS**  trans-63120.8169.600000110.1Y298A296-Y298 PolarHBondContact O-N 3.32Å
297V43.4Very low43.2Very low137 Ų137155.4 Ų155.483%0.8381%0.805SS**  trans-61.8116166.7173.40000108.5P295P295-V297 PolarHBondContact O-N 3.17Å
298Y49.8Very low43.3Very low228 Ų228154.2 Ų154.289%0.89480%0.801SS**  trans-108.6123.5156.6-102-86.5000109.7A296A296-Y298 PolarHBondContact O-N 3.32Å
299E45.5Very low43.6Very low151 Ų151149.2 Ų149.271%0.70679%0.794SS**  trans-66.7154.9-177.4-151.3-167.5-146.200111.9
300K46.6Very low43.6Very low185 Ų185151.1 Ų151.180%0.80480%0.796SS**  trans95.5100.8136.2-144.2170.3-159.61520118.9
301G40Very low43.8Very low65 Ų65152.8 Ų152.867%0.6780%0.801SS**  118.6103.6123.200000116.1
302R45.1Very low44Very low250 Ų250152.9 Ų152.994%0.94380%0.797SS**  174119.3113.6-90.7167.7-158.7-134.86.5109.8
303N36.1Very low44.2Very low163 Ų163149.8 Ų149.887%0.87280%0.795SS**  trans-66.3134.9162.7-63.4-36.8000109
304L49.2Very low44.2Very low169 Ų169146.2 Ų146.289%0.88579%0.787SS**  trans-152.7110.8147.5-103.2155.8000108.3
305T40.8Very low44.1Very low120 Ų120145.6 Ų145.674%0.73679%0.793SS**  trans-44.2139164.141.30000113.6
306S44.9Very low43.5Very low110 Ų110145.6 Ų145.677%0.76979%0.79SS**  168120.7118.4-69.70000112.4
307D40.9Very low43.1Very low154 Ų154149 Ų14982%0.82480%0.797SS**  trans44.5112.1132.6-88.2-23.5000121.7
308S41.5Very low42.8Very low103 Ų103148.1 Ų148.172%0.7279%0.791SS**  138147.797.972.50000115.8
309V48.9Very low42.1Very low124 Ų124141.7 Ų141.775%0.75278%0.78SS**  trans82.290.7160.2-162.20000118
310K44.3Very low41.7Very low197 Ų197140.7 Ų140.786%0.85779%0.79SS**  trans-52.8128.5147.6-72.7173.3173.7176.50110.7
311K45Very low41.4Very low192 Ų192138.9 Ų138.984%0.83579%0.787SS**  trans-123.8104.6151.3-108-178.5179.3179.30108.8
312V43.9Very low41.2Very low128 Ų128141.8 Ų141.878%0.77679%0.787SS**  trans-81.4125.9164.6172.50000106.4
313I44.4Very low41.1Very low150 Ų150137 Ų13777%0.76978%0.78SS**  trans-116.8125.2160.9-62179.1000106.5
314P40.8Very low41.3Very low100 Ų100138 Ų13865%0.64978%0.78SS**  trans-79.2147.4-179.131.2-31.1000111.7
315S39.8Very low40.6Very low117 Ų117133.4 Ų133.482%0.81877%0.773SS**  trans-54.3131.8168.714.40000112
316V38.9Very low40.5Very low126 Ų126133.3 Ų133.376%0.76478%0.775SS**  trans-90.4108.9170.71760000108.1V318V316-V318 HydrophobicContact CG1-CG2 3.86Å
317N34.5Very low40.2Very low160 Ų160135.6 Ų135.686%0.85678%0.778SS**  trans-96.9117.7157.8-92.6-7000107.2
318V38.6Very low39.7Very low118 Ų118133 Ų13372%0.71577%0.771SS**  trans-139108.7165.1-178.60000110.1V316V316-V318 HydrophobicContact CG1-CG2 3.86Å
319S34.5Very low39.7Very low94 Ų94137.6 Ų137.666%0.65777%0.774SS**  trans62.2100.1141.3-51.20000120.3I321S319-I321 PolarHBondContact O-N 2.67Å
320S36.5Very low39.2Very low130 Ų130138.5 Ų138.591%0.90978%0.775SS**  trans-54.7125.3141.2-79.80000110.4
321I40.2Very low38.8Very low147 Ų147134.1 Ų134.175%0.75477%0.769SS**  trans-116.2104162.9-45.5175.9000106.7S319S319-I321 PolarHBondContact O-N 2.67Å
322N37.1Very low38.6Very low125 Ų125133.7 Ų133.767%0.66877%0.77SS**  trans-66129.1164.6176.921.7000108.7
323N41.9Very low38.4Very low150 Ų150134.7 Ų134.780%0.80277%0.771SS**  trans-149.7101.9155.4-87-34.6000108.6
324Q41.5Very low38.4Very low183 Ų183135 Ų13586%0.85577%0.772SS**  trans-74.1148.9160.8-63.4-172.21000110
325G33.6Very low38.5Very low73 Ų73134.7 Ų134.775%0.75377%0.773SS**  trans161.9101.8163.100000113.3
326P38.6Very low38.6Very low118 Ų118135.3 Ų135.377%0.76677%0.767SS**  trans-91.1160.3169.236.6-29.9000111.1
327L39Very low38.6Very low159 Ų159139.4 Ų139.483%0.83277%0.769SS**  trans156.7108.1155.8-85.5156.1000106.8
328S29.9Very low39Very low98 Ų98139.9 Ų139.969%0.68577%0.77SS**  66.2152.186.9-165.10000114.3
329Y41.1Very low39Very low201 Ų201139.8 Ų139.879%0.78877%0.77SS**  trans90.1130-168.5-55.1-67.1000113.4
330N39.1Very low39.3Very low143 Ų143142.5 Ų142.577%0.76578%0.776SS**  cis-163.1151.30.4-98.9-27.9000109.4
331S36.7Very low39.7Very low104 Ų104146 Ų14673%0.72778%0.775SS**  trans-82.8148.8170.149.60000112.9
332E41.3Very low39.6Very low183 Ų183146.4 Ų146.486%0.85578%0.778SS**  trans168.9117.9137.2-96.4176.3156.700108.8
333N39.3Very low40.4Very low149 Ų149147.3 Ų147.380%0.79779%0.788SS**  93.5155.769.8-122.5-11.9000113.7
334I43.4Very low40.4Very low156 Ų156147.3 Ų147.380%0.878%0.784SS**  trans10893.2173.8-50.7155.6000112.5
335S43.5Very low40.7Very low95 Ų95145 Ų14566%0.66478%0.777SS**  59135.982.7-109.90000112.7
336D41.9Very low41.2Very low129 Ų129147.3 Ų147.369%0.6977%0.772SS**  cis-174138.937.4-105-18.4000106.9
337R39Very low41.3Very low212 Ų212147.3 Ų147.380%0.877%0.77SS**  95.411977.1-160.5-177.3-169-160.24.5114.2
338L42.3Very low41.7Very low171 Ų171145.7 Ų145.790%0.89577%0.767SS**  trans-170.490.6150.1-100.8166.7000107.7
339V39.1Very low42.5Very low115 Ų115146.7 Ų146.770%0.69777%0.774SS**  93.5121.179.9171.50000114
340L39.5Very low42.4Very low152 Ų152144.8 Ų144.880%0.79678%0.777SS**  trans-69.7162.2-178.3-73.982.6000115.5
341K46.8Very low42.5Very low204 Ų204142 Ų14289%0.88777%0.774SS**  -166.4114.2120.8-111.8170.8178.41780113.1
342D37.9Very low42.9Very low154 Ų154145.1 Ų145.182%0.82478%0.777SS**  trans-89148.6160.8-79.9-46.1000110.4
343V52.1Low43Very low144 Ų144145.3 Ų145.387%0.87378%0.775SS**  trans-132.8128.5163.6172.50000109.3
344E42.7Very low43.4Very low151 Ų151144.6 Ų144.671%0.70678%0.776SS**  trans-91.2167.3-169.2-167.8-179.5178.200113.2
345N48.9Very low43.7Very low133 Ų133145.9 Ų145.971%0.71178%0.775SS**  trans136.1104.5145.8-64.6-35.2000112.4
346N42.5Very low44.2Very low123 Ų123150.4 Ų150.466%0.65878%0.783SS**  65.1134.983.2-68-27.8000112.4
347T41.3Very low44.7Very low118 Ų118153.6 Ų153.672%0.72479%0.791SS**  cis-177.4144.517.86.20000108.9
348V47.3Very low45.4Very low125 Ų125153.4 Ų153.476%0.75880%0.796SS**  trans48.1123.5130.1-177.80000119.3
349S46.6Very low46Very low119 Ų119153.2 Ų153.283%0.83279%0.788SS**  174.2166.777.824.90000112.9
350N38.5Very low46.8Very low160 Ų160155.5 Ų155.586%0.85679%0.791SS**  trans-109.5148.8-164.6-172.43.7000111.4
351A42.4Very low47.7Very low85 Ų85157.4 Ų157.470%0.70279%0.793SS**  trans152.1133.4133.300000117.4
352Q43.7Very low47.8Very low170 Ų170156 Ų15679%0.79479%0.788SS**  trans76.5108.4138.3-91.5-177.6-21.200125.2
353K43.8Very low48.3Very low187 Ų187157.5 Ų157.581%0.81379%0.79SS**  46.7133.9119.5-73.5-178.1176.8174.40121.5
354V48.6Very low48.3Very low134 Ų134159 Ų15981%0.81279%0.785SS**  159.4104.3129.6162.10000108.1
355K49.4Very low48.6Very low182 Ų182157.6 Ų157.679%0.79178%0.783SS**  86.2133.185-103.2-174.6-172.8177.30116.5
356K55.1Low48.4Very low191 Ų191160.4 Ų160.483%0.8379%0.791SS**  trans87147.9156.1-64.3172.9178.81790117.4
357K51.8Low48.6Very low196 Ų196159.4 Ų159.485%0.85280%0.8SS**  cis165.9136.3-22.3-116.7-170.5179.5-177.60105.3
358K54.3Low49Very low207 Ų207162.4 Ų162.490%0.981%0.806SS**  trans140.5155.7153.1-88.6177.4170.9179.70110.8
359K54.5Low49.1Very low167 Ų167163.9 Ų163.973%0.72681%0.808SS**  178.4152.2-56.1-104.2-152.7179.3-1720105.5
360H55.9Low49.1Very low164 Ų164165.2 Ų165.276%0.75981%0.805SS**  trans83.9146.2163.9-49-67000116.4
361K57.5Low49.4Very low192 Ų192164.7 Ų164.784%0.83580%0.802SS**  cis-164.4159.413.7-144.1172.1176.7-176.60110.2
362H48.3Very low49.5Very low173 Ų173165.8 Ų165.880%0.80180%0.802SS**  trans-71159.9176.2-74.6-101.5000114.9
363H50.1Low49.7Very low187 Ų187162.8 Ų162.887%0.86680%0.8SS**  -167.3162.2120.6-104.9-75.6000112.2
364K50.5Low49.6Very low176 Ų176164.8 Ų164.877%0.76580%0.802SS**  trans-122.3177.5-155.8-162.6-171.8175.1-164.60109.4
365D49.7Very low49.4Very low121 Ų121165.6 Ų165.665%0.64780%0.801SS**  trans98.4107.3161.3-46.1-29.5000114
366E44.1Very low49.3Very low192 Ų192166.4 Ų166.490%0.89781%0.807SS**  8111065.4-160.1179.3-12300112.5
367A46.2Very low48.6Very low101 Ų101162 Ų16284%0.83580%0.8SS**  trans178133.8147.200000111.4
368E49.8Very low48.2Very low182 Ų182159.1 Ų159.185%0.8579%0.794SS**  trans-61.3161176-6216913300113.5
369I49.8Very low48Very low155 Ų155157.7 Ų157.780%0.79579%0.791SS**  trans168.5116.3131-81.6153.7000110.3
370L46.2Very low47.7Very low148 Ų148157.3 Ų157.378%0.77580%0.796SS**  trans37.4126.3144-81.1103.1000124.6
371D45.9Very low47.3Very low148 Ų148158.8 Ų158.879%0.79180%0.8SS**  trans74147.9130.4-10511.3000122.5
372P45.2Very low46.6Very low109 Ų109153.2 Ų153.271%0.70880%0.797SS**  trans-118.2129.7-139.332.7-12.8000111.5
373S46.2Very low46.4Very low106 Ų106152.5 Ų152.574%0.74179%0.794SS**  trans-155.8134.9160.653.60000112.2
374R42.2Very low46.2Very low229 Ų229154.9 Ų154.986%0.86480%0.795SS**  trans75.2107153-67.7171.6178.4-155.6-1.3117.8
375L45.1Very low46.6Very low151 Ų151156.4 Ų156.479%0.79180%0.796SS**  41.7111.2125.9-65.7164.4000116
376H46.2Very low46.6Very low199 Ų199157.9 Ų157.992%0.92180%0.804SS**  -169.9128.3125-91.2-63.4000109
377S41.3Very low47.1Very low98 Ų98157.4 Ų157.469%0.68580%0.799SS**  trans-71.2140.4172.876.90000109.7
378N42.7Very low47.4Very low136 Ų136159.2 Ų159.273%0.72780%0.8SS**  157.4139.5127-74.6-18.5000110.8
379Q51.1Low47.7Very low178 Ų178156.5 Ų156.583%0.83280%0.795SS**  trans73.1111.7164.3-53.3-163.549.400117.7
380L48.7Very low48.3Very low159 Ų159156.2 Ų156.283%0.83280%0.795SS**  179.695.6123.5-90.7156.9000106.4
381K46.6Very low49Very low194 Ų194153.9 Ų153.984%0.84379%0.789SS**  62111101.2-87.3-179175.6170.60113.9
382G42.2Very low49.5Very low75 Ų75152 Ų15277%0.77378%0.784SS**  trans12172.3131.600000117.1
383H44.7Very low49.9Very low158 Ų158153.1 Ų153.173%0.73179%0.789SS**  trans-15095.1145-14232.9000111.4R385H383-R385 PolarHBondContact O-N 2.87Å
384R45.4Very low50.4Low238 Ų238150.4 Ų150.490%0.89877%0.768SS**  trans-67.6109.2167.3-84.2-171.5170.5-167.4-2.3108.3
385R59.1Low51.2Low207 Ų207145.5 Ų145.578%0.78176%0.759SS**  trans-106.6112.1157.8-72.4-171.5179.9-179.90.9107.6H383 K387H383-R385 PolarHBondContact O-N 2.87Å; R385-K387 VanDerWaalsContact C-N 3.3Å; R385-K387 PolarHBondContact O-N 3.13Å
386N49.6Very low51.9Low152 Ų152145 Ų14581%0.81375%0.75SS**  trans-64.693.3170.6-58.5-21.2000107.4
387K55.7Low52.7Low183 Ų183141.7 Ų141.780%0.79674%0.737SS**  trans-86.2109.6167.6-120.8177.5178-1770105.8R385 V389R385-K387 VanDerWaalsContact C-N 3.3Å; R385-K387 PolarHBondContact O-N 3.13Å; K387-V389 VanDerWaalsContact C-N 3.28Å; K387-V389 PolarHBondContact O-N 3.4Å
388T51.2Low54.3Low139 Ų139143.5 Ų143.585%0.85374%0.739SS**  trans-6197.316310000106.6L390T388-L390 PolarHBondContact O-N 2.82Å
389V56.5Low56Low124 Ų124141.8 Ų141.875%0.75273%0.73SS**  trans-79.194.4170.4-179.90000105.4K387K387-V389 VanDerWaalsContact C-N 3.28Å; K387-V389 PolarHBondContact O-N 3.4Å
390L62.6Low56.8Low149 Ų149142.2 Ų142.278%0.7872%0.724SS**PPolyproline II helixtrans-64.7132.9159.4-74.6162.9000106.6T388T388-L390 PolarHBondContact O-N 2.82Å
391P60.9Low58.3Low100 Ų100139.6 Ų139.665%0.64972%0.717SS**PPolyproline II helixtrans-55.7143.1172.525.4-32.3000108.2V393P391-V393 PolarHBondContact O-N 3.31Å; P391-V393 VanDerWaalsContact O-N 3.17Å
392P56.6Low59.9Low108 Ų108138.3 Ų138.370%0.70172%0.719SS**PPolyproline II helixtrans-52.2128.6170.922-30.3000107.9T394P392-T394 PolarHBondContact O-N 3.48Å
393V54.4Low61.3Low132 Ų132140.7 Ų140.780%0.871%0.714SS**  trans-51.4112.1170.5177.80000105.4P391 N395P391-V393 PolarHBondContact O-N 3.31Å; P391-V393 VanDerWaalsContact O-N 3.17Å; V393-N395 PolarHBondContact O-N 3.09Å
394T54.7Low63Low50 Ų50138.8 Ų138.831%0.30772%0.715SS.*  trans-68.4139.1-176.679.90000106.7P392 F396 D399P392-T394 PolarHBondContact O-N 3.48Å; T394-F396 VanDerWaalsContact CB-CD2 3.42Å; T394-F396 HydrophobicContact CG2-CD2 4.27Å; T394-F396 HydrophobicContact CG2-CE2 4.49Å; T394-F396 PolarHBondContact O-N 2.96Å; T394-F396 WeakPolarHBondContact OG1-CD2 3.43Å; T394-D399 PolarHBondContact OG1-OD2 3.38Å
395N59.8Low64.7Low125 Ų125133.5 Ų133.567%0.66871%0.713SS**SBendtrans-74.924.8-178.8-152.210.9000111.5V393V393-N395 PolarHBondContact O-N 3.09Å
396F60.3Low65.3Low140 Ų140128 Ų12861%0.61470%0.699SS**  trans-90.9126.1-179.9-60-56.8000108.5T394 N398 D399T394-F396 VanDerWaalsContact CB-CD2 3.42Å; T394-F396 HydrophobicContact CG2-CD2 4.27Å; T394-F396 HydrophobicContact CG2-CE2 4.49Å; T394-F396 PolarHBondContact O-N 2.96Å; T394-F396 WeakPolarHBondContact OG1-CD2 3.43Å; F396-N398 PolarHBondContact O-N 3.15Å; F396-D399 PolarHBondContact O-N 3.05Å; F396-D399 VanDerWaalsContact O-N 3.12Å
397M63.6Low66.8Low131 Ų131125.1 Ų125.165%0.64569%0.688SS**G310 helixtrans-55.7-22.5175.3-76-166.765.400112.7D399 W400M397-D399 PolarHBondContact O-N 3.18Å; M397-W400 PolarHBondContact O-N 3.3Å
398N74.8Confident67.9Low136 Ų136125.7 Ų125.773%0.72769%0.694SS**G310 helixtrans-68.6-14.7-179.3-57.6-2.6000113.8F396F396-N398 PolarHBondContact O-N 3.15Å
399D76.6Confident69.2Low100 Ų100126.3 Ų126.354%0.53569%0.692SS.*G310 helixtrans-90-3.5178.4-75.91.6000112.9T394 F396 M397T394-D399 PolarHBondContact OG1-OD2 3.38Å; F396-D399 PolarHBondContact O-N 3.05Å; F396-D399 VanDerWaalsContact O-N 3.12Å; M397-D399 PolarHBondContact O-N 3.18Å
400W68.9Low70.1Confident186 Ų186123 Ų12371%0.70567%0.669SS**SBendtrans-82140.4-179.7-74.665.4000110.9M397M397-W400 PolarHBondContact O-N 3.3Å
401P79Confident71Confident105 Ų105119.8 Ų119.868%0.68265%0.653SS**PPolyproline II helixtrans-63.5137.9171.627.3-32.7000110L403P401-L403 PolarHBondContact O-N 3.35Å
402D80.8Confident71.7Confident166 Ų166121.9 Ų121.989%0.88865%0.648SS**PPolyproline II helixtrans-56123.7172.9-65.2-39000109.8
403L72.4Confident72.4Confident126 Ų126124 Ų12466%0.6665%0.648SS**PPolyproline II helixtrans-73.3145.2176.3-68.1173.3000109.9P401P401-L403 PolarHBondContact O-N 3.35Å
404P80.7Confident73.3Confident118 Ų118122 Ų12277%0.76664%0.64SS**PPolyproline II helixtrans-61.3139.3174.926-33.1000110.6
405C79.5Confident73.6Confident126 Ų126123.8 Ų123.885%0.85165%0.647SS**PPolyproline II helixtrans-58.5142.7172.8-58.40000110.4
406L73.1Confident73Confident92 Ų92122.3 Ų122.348%0.48264%0.639SS.*PPolyproline II helixtrans-62.7146.2170.7-69.1172.2000109.8E408 I410L406-E408 PolarHBondContact O-N 2.66Å; L406-I410 HydrophobicContact CB-CD1 3.85Å; L406-I410 HydrophobicContact CD1-CD1 4.24Å; L406-I410 HydrophobicContact CD2-CD1 3.98Å; L406-I410 HydrophobicContact CG-CD1 4.24Å
407P80.6Confident72.7Confident91 Ų91124.4 Ų124.459%0.59164%0.643SS**PPolyproline II helixtrans-53.4135.8169.6-23.531.9000111D409 I410P407-D409 PolarHBondContact O-N 3.1Å; P407-D409 VanDerWaalsContact O-N 3.16Å; P407-I410 HydrophobicContact CB-CG1 4.41Å; P407-I410 WeakPolarHBondContact O-CG1 3.48Å; P407-I410 PolarHBondContact O-N 3.04Å
408E78.7Confident71.8Confident196 Ų196122.1 Ų122.192%0.91664%0.64SS**THydrogen-bonded Turntrans-60.9-23.2177-71176.8170.200112.1L406 I410L406-E408 PolarHBondContact O-N 2.66Å; E408-I410 PolarHBondContact O-N 3.5Å
409D79.4Confident70.5Confident152 Ų152124.9 Ų124.981%0.81364%0.642SS**THydrogen-bonded Turntrans-91.918.1-173-56.5-31.4000114.5P407 D411P407-D409 PolarHBondContact O-N 3.1Å; P407-D409 VanDerWaalsContact O-N 3.16Å; D409-D411 PolarHBondContact O-N 3.12Å
410I75.1Confident69Low54 Ų54125 Ų12528%0.27765%0.646SS.*  trans-67.2108.1173.2-64.1175.2000108.7L406 P407 E408 W412L406-I410 HydrophobicContact CB-CD1 3.85Å; L406-I410 HydrophobicContact CD1-CD1 4.24Å; L406-I410 HydrophobicContact CD2-CD1 3.98Å; L406-I410 HydrophobicContact CG-CD1 4.24Å; P407-I410 HydrophobicContact CB-CG1 4.41Å; P407-I410 WeakPolarHBondContact O-CG1 3.48Å; P407-I410 PolarHBondContact O-N 3.04Å; E408-I410 PolarHBondContact O-N 3.5Å; I410-W412 HydrophobicContact CB-CZ2 4.48Å; I410-W412 HydrophobicContact CG2-CD2 4.05Å; I410-W412 HydrophobicContact CG2-CE3 4.34Å; I410-W412 HydrophobicContact CG2-CH2 4.44Å; I410-W412 HydrophobicContact CG2-CZ2 4.14Å; I410-W412 PolarHBondContact O-N 3.17Å; I410-W412 PolarHBondContact O-NE1 3.14Å
411D80.4Confident67.7Low81 Ų81122 Ų12243%0.43365%0.648SS.*  trans-73.890.8171.4-175.86.8000110.7D409 H413 S414D409-D411 PolarHBondContact O-N 3.12Å; D411-H413 PolarHBondContact O-N 2.84Å; D411-H413 VanDerWaalsContact O-N 3.15Å; D411-H413 WeakPolarHBondContact OD1-CA 3.33Å; D411-H413 VanDerWaalsContact OD1-CB 3.24Å; D411-H413 WeakPolarHBondContact OD1-CB 3.21Å; D411-H413 IonicContact OD1-CD2 3.68Å; D411-H413 IonicContact OD1-CG 3.12Å; D411-H413 PolarHBondContact OD1-N 3.25Å; D411-S414 PolarHBondContact O-N 3.31Å; D411-S414 VanDerWaalsContact O-N 3.14Å; D411-S414 PolarHBondContact OD1-N 2.97Å; D411-S414 VanDerWaalsContact OD2-CB 3.29Å; D411-S414 WeakPolarHBondContact OD2-CB 3.47Å; D411-S414 PolarHBondContact OD2-N 3.42Å; D411-S414 PolarHBondContact OD2-OG 3.33Å
412W75.4Confident65.7Low144 Ų144122.7 Ų122.755%0.54565%0.651SS.*THydrogen-bonded Turntrans-59.7-18.4173.4-59.3100.6000113.6I410 L415I410-W412 HydrophobicContact CB-CZ2 4.48Å; I410-W412 HydrophobicContact CG2-CD2 4.05Å; I410-W412 HydrophobicContact CG2-CE3 4.34Å; I410-W412 HydrophobicContact CG2-CH2 4.44Å; I410-W412 HydrophobicContact CG2-CZ2 4.14Å; I410-W412 PolarHBondContact O-N 3.17Å; I410-W412 PolarHBondContact O-NE1 3.14Å; W412-L415 HydrophobicContact CE3-CD1 3.93Å; W412-L415 HydrophobicContact CZ3-CD1 4.38Å
413H72Confident63.7Low154 Ų154119.2 Ų119.271%0.71364%0.638SS**THydrogen-bonded Turntrans-87.3-21.3179.2-54.6-70000112.6D411 L415D411-H413 PolarHBondContact O-N 2.84Å; D411-H413 VanDerWaalsContact O-N 3.15Å; D411-H413 WeakPolarHBondContact OD1-CA 3.33Å; D411-H413 VanDerWaalsContact OD1-CB 3.24Å; D411-H413 WeakPolarHBondContact OD1-CB 3.21Å; D411-H413 IonicContact OD1-CD2 3.68Å; D411-H413 IonicContact OD1-CG 3.12Å; D411-H413 PolarHBondContact OD1-N 3.25Å; H413-L415 VanDerWaalsContact C-N 3.31Å
414S72.3Confident62Low89 Ų89119.6 Ų119.662%0.62264%0.641SS**THydrogen-bonded Turntrans-78.1-14172.1-79.20000113.5D411 D416D411-S414 PolarHBondContact O-N 3.31Å; D411-S414 VanDerWaalsContact O-N 3.14Å; D411-S414 PolarHBondContact OD1-N 2.97Å; D411-S414 VanDerWaalsContact OD2-CB 3.29Å; D411-S414 WeakPolarHBondContact OD2-CB 3.47Å; D411-S414 PolarHBondContact OD2-N 3.42Å; D411-S414 PolarHBondContact OD2-OG 3.33Å; S414-D416 PolarHBondContact O-N 3.08Å; S414-D416 VanDerWaalsContact O-N 3.12Å
415L62.1Low60.1Low88 Ų88120.1 Ų120.146%0.46164%0.637SS.*SBendtrans-67.1112.1171.1-80.3163.1000109.1W412 H413 R417W412-L415 HydrophobicContact CE3-CD1 3.93Å; W412-L415 HydrophobicContact CZ3-CD1 4.38Å; H413-L415 VanDerWaalsContact C-N 3.31Å; L415-R417 PolarHBondContact O-N 2.98Å
416D47.5Very low58.2Low94 Ų94119.4 Ų119.450%0.50363%0.634SS.*  trans-57.598.9-177.3-170.2-0.9000111.1S414 S418 Y419S414-D416 PolarHBondContact O-N 3.08Å; S414-D416 VanDerWaalsContact O-N 3.12Å; D416-S418 PolarHBondContact O-N 2.94Å; D416-S418 VanDerWaalsContact O-N 3.16Å; D416-S418 WeakPolarHBondContact OD1-CB 3.4Å; D416-S418 PolarHBondContact OD1-N 2.89Å; D416-S418 PolarHBondContact OD1-OG 2.94Å; D416-S418 PolarHBondContact OD2-OG 3.26Å; D416-Y419 HydrophobicContact CB-CD2 4.22Å; D416-Y419 HydrophobicContact CB-CE2 4.31Å; D416-Y419 WeakPolarHBondContact OD2-CE2 3.34Å
417R53.5Low56.7Low183 Ų183120.5 Ų120.569%0.69165%0.649SS**G310 helixtrans-66-9.8175.7-67.5-175.5178.8-175.7-1.8112.3L415 Y419 V420L415-R417 PolarHBondContact O-N 2.98Å; R417-Y419 PolarHBondContact O-N 3.34Å; R417-Y419 VanDerWaalsContact O-N 3.16Å; R417-V420 PolarHBondContact O-N 3.27Å; R417-V420 VanDerWaalsContact O-N 3.07Å
418S45.8Very low54.8Low84 Ų84122.7 Ų122.759%0.58765%0.653SS**G310 helixtrans-65-18-177.376.50000113.8D416D416-S418 PolarHBondContact O-N 2.94Å; D416-S418 VanDerWaalsContact O-N 3.16Å; D416-S418 WeakPolarHBondContact OD1-CB 3.4Å; D416-S418 PolarHBondContact OD1-N 2.89Å; D416-S418 PolarHBondContact OD1-OG 2.94Å; D416-S418 PolarHBondContact OD2-OG 3.26Å
419Y46Very low52.5Low193 Ų193122.7 Ų122.776%0.75765%0.653SS**G310 helixtrans-91.9-7.2175.4-61.8-75.5000114.5D416 R417 T421D416-Y419 HydrophobicContact CB-CD2 4.22Å; D416-Y419 HydrophobicContact CB-CE2 4.31Å; D416-Y419 WeakPolarHBondContact OD2-CE2 3.34Å; R417-Y419 PolarHBondContact O-N 3.34Å; R417-Y419 VanDerWaalsContact O-N 3.16Å; Y419-T421 PolarHBondContact O-N 2.86Å
420V46.2Very low50.7Low102 Ų102121.3 Ų121.362%0.61864%0.644SS**SBendtrans-83.195.5168.1-175.40000105.9R417 V422R417-V420 PolarHBondContact O-N 3.27Å; R417-V420 VanDerWaalsContact O-N 3.07Å; V420-V422 VanDerWaalsContact C-N 3.34Å; V420-V422 PolarHBondContact O-N 3.2Å
421T40.2Very low49Very low124 Ų124122.2 Ų122.276%0.76166%0.659SS**  trans-51.8107.4164.341.30000106.9Y419 C423Y419-T421 PolarHBondContact O-N 2.86Å; T421-C423 VanDerWaalsContact C-N 3.25Å; T421-C423 PolarHBondContact O-N 3.45Å
422V38.9Very low46.8Very low120 Ų120126.5 Ų126.573%0.72768%0.677SS**  trans-55.798.3168.1178.10000105V420 D424V420-V422 VanDerWaalsContact C-N 3.34Å; V420-V422 PolarHBondContact O-N 3.2Å; V422-D424 PolarHBondContact O-N 3.2Å
423C38.1Very low45.2Very low92 Ų92130.4 Ų130.462%0.62269%0.693SS**  trans-55.3122.2153.3-72.80000104.5T421 N425T421-C423 VanDerWaalsContact C-N 3.25Å; T421-C423 PolarHBondContact O-N 3.45Å; C423-N425 PolarHBondContact O-N 3.05Å; C423-N425 PolarHBondContact O-OD1 3.21Å
424D36.5Very low43.6Very low135 Ų135129.5 Ų129.572%0.72269%0.694SS**  trans-56.790.6171.1-88.5-35.5000108V422 S426V422-D424 PolarHBondContact O-N 3.2Å; D424-S426 PolarHBondContact O-N 2.82Å
425N41.6Very low41.7Very low128 Ų128130 Ų13068%0.68470%0.697SS**  trans-75.820.7175.6-73.8-10.1000111.3C423 S427 M428C423-N425 PolarHBondContact O-N 3.05Å; C423-N425 PolarHBondContact O-OD1 3.21Å; N425-S427 PolarHBondContact O-N 3.12Å; N425-M428 PolarHBondContact O-N 2.79Å
426S38.6Very low40.9Very low112 Ų112132 Ų13278%0.78372%0.716SS**THydrogen-bonded Turntrans-691.9179.560.40000113.8D424D424-S426 PolarHBondContact O-N 2.82Å
427S40.9Very low40.6Very low114 Ų114135.8 Ų135.880%0.79773%0.73SS**THydrogen-bonded Turntrans-122.72.4-179.8490000114.9N425N425-S427 PolarHBondContact O-N 3.12Å
428M41.9Very low39.8Very low137 Ų137136.5 Ų136.568%0.67574%0.738SS**  trans-114.886.1174.2-149171.6159.400109.3N425 I430N425-M428 PolarHBondContact O-N 2.79Å; M428-I430 HydrophobicContact CB-CG1 4.4Å; M428-I430 HydrophobicContact CE-CD1 4Å; M428-I430 HydrophobicContact CE-CG1 4.01Å; M428-I430 HydrophobicContact CG-CD1 4.38Å; M428-I430 HydrophobicContact CG-CG1 3.88Å; M428-I430 PolarHBondContact O-N 3.01Å; M428-I430 HydrophobicContact SD-CD1 4.27Å; M428-I430 HydrophobicContact SD-CG1 4.35Å
429E30.6Very low39.4Very low196 Ų196138.9 Ų138.992%0.91675%0.754SS**  trans-61.676.4162.9-167.2177.1-167.200107.9A431E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.39Å; E429-A431 VanDerWaalsContact O-N 3.07Å
430I42Very low39.1Very low124 Ų124135.7 Ų135.764%0.63675%0.754SS**  trans-74.796.9164.4-58.6179.3000104.1M428 E432M428-I430 HydrophobicContact CB-CG1 4.4Å; M428-I430 HydrophobicContact CE-CD1 4Å; M428-I430 HydrophobicContact CE-CG1 4.01Å; M428-I430 HydrophobicContact CG-CD1 4.38Å; M428-I430 HydrophobicContact CG-CG1 3.88Å; M428-I430 PolarHBondContact O-N 3.01Å; M428-I430 HydrophobicContact SD-CD1 4.27Å; M428-I430 HydrophobicContact SD-CG1 4.35Å; I430-E432 PolarHBondContact O-N 2.8Å; I430-E432 VanDerWaalsContact O-N 3.07Å
431A37.9Very low38.5Very low72 Ų72137.7 Ų137.760%0.59577%0.766SS**  trans-45120.1167.600000108.6E429 Y433E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.39Å; E429-A431 VanDerWaalsContact O-N 3.07Å; A431-Y433 VanDerWaalsContact C-N 3.34Å; A431-Y433 PolarHBondContact O-N 2.91Å
432E35.7Very low38.1Very low172 Ų172134.6 Ų134.680%0.80476%0.759SS**  trans-36.791.7170.1-155.5168.9-158.200110.2I430 N434I430-E432 PolarHBondContact O-N 2.8Å; I430-E432 VanDerWaalsContact O-N 3.07Å; E432-N434 VanDerWaalsContact C-N 3.32Å; E432-N434 PolarHBondContact O-N 3.41Å
433Y41.8Very low37.9Very low226 Ų226133.6 Ų133.689%0.88676%0.763SS**  trans-74.897.5171.4-112.6-89.8000106.6A431 S435A431-Y433 VanDerWaalsContact C-N 3.34Å; A431-Y433 PolarHBondContact O-N 2.91Å; Y433-S435 PolarHBondContact O-N 3.37Å
434N37.2Very low37.9Very low135 Ų135138.9 Ų138.972%0.72278%0.779SS**  trans-42.5132172-69.8-63.9000111.2E432E432-N434 VanDerWaalsContact C-N 3.32Å; E432-N434 PolarHBondContact O-N 3.41Å
435S33.1Very low38Very low99 Ų99136.4 Ų136.469%0.69277%0.772SS**  trans-12.2125.3160.3-177.70000114.5Y433 Q437Y433-S435 PolarHBondContact O-N 3.37Å; S435-Q437 PolarHBondContact O-N 2.85Å
436P44.7Very low37.8Very low131 Ų131139.4 Ų139.485%0.85178%0.782SS**  trans-6991.5164.727.2-28.3000108.2K438P436-K438 PolarHBondContact O-N 3.05Å; P436-K438 VanDerWaalsContact O-N 3.09Å
437Q40.7Very low38Very low173 Ų173144 Ų14481%0.80878%0.784SS**  trans-56109.5164.8-169.6167.81300108.2S435 C439S435-Q437 PolarHBondContact O-N 2.85Å; Q437-C439 PolarHBondContact O-N 2.94Å; Q437-C439 VanDerWaalsContact O-N 3.09Å
438K37.8Very low37.9Very low197 Ų197141.4 Ų141.486%0.85777%0.77SS**  trans1384.7159.3-65.2-179.7177.1-179.40115.1P436 T440P436-K438 PolarHBondContact O-N 3.05Å; P436-K438 VanDerWaalsContact O-N 3.09Å; K438-T440 PolarHBondContact O-N 2.85Å
439C37.9Very low37.8Very low135 Ų135140.7 Ų140.791%0.91278%0.776SS**  trans-81.698.3159.1-89.90000108.8Q437 V441Q437-C439 PolarHBondContact O-N 2.94Å; Q437-C439 VanDerWaalsContact O-N 3.09Å; C439-V441 PolarHBondContact O-N 3.32Å
440T38.9Very low38.4Very low125 Ų125135.4 Ų135.477%0.76775%0.754SS**  trans-58.9122.7165.215.10000111.3K438K438-T440 PolarHBondContact O-N 2.85Å
441V32.7Very low38.5Very low144 Ų144132.3 Ų132.387%0.87374%0.743SS**  trans42.989139-167.20000116C439C439-V441 PolarHBondContact O-N 3.32Å
442G33.4Very low38.9Very low60 Ų60133.1 Ų133.162%0.61974%0.742SS**  trans-129.7115.8150.200000106.9
443A34.1Very low39.4Very low98 Ų98129.7 Ų129.781%0.8173%0.733SS**THydrogen-bonded Turntrans-52.7149.7175.300000110.4
444E37.6Very low39.9Very low204 Ų204122.3 Ų122.395%0.95371%0.709SS**THydrogen-bonded Turntrans104.55.5-179.6-55.2-177.1-167.300117.4
445S38.2Very low40.8Very low82 Ų82119.4 Ų119.457%0.57369%0.693SS**  trans-115.772.4-177.2171.10000113.8A448S445-A448 WeakPolarHBondContact OG-CB 3.42Å
446E37.6Very low42Very low192 Ų192118.9 Ų118.990%0.89768%0.68SS**THydrogen-bonded Turntrans-91.41.2169.6-147.6168.4-155.600113.2
447Y44.4Very low43.1Very low207 Ų207114.3 Ų114.381%0.81265%0.651SS**THydrogen-bonded Turntrans-98.518171-69.2-75.2000113.5C449Y447-C449 PolarHBondContact O-N 3.06Å
448A38.6Very low44.4Very low61 Ų61110.2 Ų110.250%0.50463%0.634SS.*  trans-71.1116.8-178.700000112.3S445S445-A448 WeakPolarHBondContact OG-CB 3.42Å
449C39.8Very low45.9Very low121 Ų121106.2 Ų106.282%0.81862%0.62SS**  trans61.656.8152.4-640000117.3Y447 S451Y447-C449 PolarHBondContact O-N 3.06Å; C449-S451 PolarHBondContact O-N 2.92Å
450I43.3Very low47.4Very low85 Ų85104.4 Ų104.444%0.43660%0.601SS.*  trans-79.9107.2152.5-60174.6000106.6N454I450-N454 HydrophobicContact CG2-CB 3.64Å; I450-N454 WeakPolarHBondContact CG2-ND2 3.47Å
451S43.5Very low48.6Very low59 Ų59105.7 Ų105.741%0.41360%0.603SS.*  trans-46.5139.2175.8-48.10000110.9C449 T453 N454C449-S451 PolarHBondContact O-N 2.92Å; S451-T453 PolarHBondContact O-N 2.91Å; S451-N454 WeakPolarHBondContact O-CB 3.2Å; S451-N454 PolarHBondContact O-N 3.01Å
452P46Very low50.6Low89 Ų89106.6 Ų106.658%0.57860%0.603SS**THydrogen-bonded Turntrans-54.7-18.4177.5-2532.9000113.9V471P452-V471 HydrophobicContact CB-CB 4.46Å; P452-V471 HydrophobicContact CB-CG1 4.23Å; P452-V471 HydrophobicContact CB-CG2 3.95Å; P452-V471 WeakPolarHBondContact O-CG2 3.32Å
453T46.8Very low52.2Low101 Ų101110.6 Ų110.662%0.6261%0.606SS**THydrogen-bonded Turntrans-94.89.1-178.8490000114.4S451 L455S451-T453 PolarHBondContact O-N 2.91Å; T453-L455 PolarHBondContact O-N 3.2Å
454N51.2Low53.8Low71 Ų71112.7 Ų112.738%0.3859%0.594SS.*  trans-68.979.7177.1-99.9-37.5000111I450 S451 H456 P469I450-N454 HydrophobicContact CG2-CB 3.64Å; I450-N454 WeakPolarHBondContact CG2-ND2 3.47Å; S451-N454 WeakPolarHBondContact O-CB 3.2Å; S451-N454 PolarHBondContact O-N 3.01Å; N454-H456 PolarHBondContact O-CE1 3.45Å; N454-H456 PolarHBondContact O-N 2.92Å; N454-H456 PolarHBondContact O-ND1 3.42Å; N454-P469 WeakPolarHBondContact O-CD 3.39Å; N454-P469 VanDerWaalsContact O-CG 3.3Å; N454-P469 WeakPolarHBondContact O-CG 3.46Å
455L56.6Low55.5Low74 Ų74107.3 Ų107.339%0.38757%0.571SS.*  trans-59.9121.1172.3-72.6148.6000108.9T453 H466 L468T453-L455 PolarHBondContact O-N 3.2Å; L455-H466 HydrophobicContact CD2-CB 3.78Å; L455-L468 HydrophobicContact CD2-CD2 3.27Å; L455-L468 HydrophobicContact CD2-CG 3.57Å; L455-L468 HydrophobicContact CG-CD2 3.76Å
456H57.7Low56.9Low88 Ų88107.7 Ų107.741%0.40756%0.563SS.*EExtended strand (participates in β ladder)trans-89.7109172.1-68.434000107.7N454 I467N454-H456 PolarHBondContact O-CE1 3.45Å; N454-H456 PolarHBondContact O-N 2.92Å; N454-H456 PolarHBondContact O-ND1 3.42Å; H456-I467 HydrophobicContact CB-CB 4.31Å; H456-I467 PolarHBondContact N-O 2.93Å; H456-I467 PolarHBondContact O-N 3.47Å
457S68.1Low58.3Low34 Ų34102 Ų10224%0.23854%0.538CS..EExtended strand (participates in β ladder)trans-94.9125.2-178.8-44.60000109.9L465 H466S457-L465 CarbonylContact C-O 3.57Å; S457-L465 WeakPolarHBondContact CA-O 3.25Å; S457-H466 PolarHBondContact OG-CE1 3.18Å; S457-H466 VanDerWaalsContact OG-CE1 3.29Å; S457-H466 PolarHBondContact OG-ND1 3.37Å
458I69Low58.9Low88 Ų8897.1 Ų97.145%0.45153%0.526SS..EExtended strand (participates in β ladder)trans-111129.4171.5-54.7179.4000107.9L465 I467I458-L465 PolarHBondContact N-O 2.95Å; I458-L465 PolarHBondContact O-N 3.22Å; I458-I467 HydrophobicContact CD1-CD1 3.59Å; I458-I467 HydrophobicContact CG1-CD1 4.25Å
459I68.9Low59.6Low113 Ų11395.2 Ų95.258%0.57951%0.509SS*.EExtended strand (participates in β ladder)trans-77125.9176.1-57.8170.8000108.8Y464I459-Y464 HydrophobicContact CD1-CE1 3.89Å; I459-Y464 HydrophobicContact CG1-CD1 3.81Å; I459-Y464 HydrophobicContact CG1-CE1 3.44Å; I459-Y464 VanDerWaalsContact CG1-CE1 3.44Å
460L69.4Low60.3Low97 Ų9798.3 Ų98.351%0.50850%0.503SS..EExtended strand (participates in β ladder)trans-134107.8174.4-99.7140.5000107.7D462 Q463 L465L460-D462 PolarHBondContact O-N 3.3Å; L460-Q463 PolarHBondContact N-O 3.28Å; L460-Q463 WeakPolarHBondContact O-CA 3.29Å; L460-Q463 WeakPolarHBondContact O-CB 3.25Å; L460-Q463 PolarHBondContact O-N 2.99Å; L460-Q463 VanDerWaalsContact O-O 3.13Å; L460-L465 HydrophobicContact CD1-CB 4.22Å; L460-L465 HydrophobicContact CD1-CD2 4.02Å
461D63.8Low60.6Low152 Ų15297 Ų9781%0.81350%0.499SS*.THydrogen-bonded Turntrans43.863.4174.2-60-24.6000113.9Q463D461-Q463 PolarHBondContact O-N 3.35Å; D461-Q463 VanDerWaalsContact O-N 3.11Å
462D74.7Confident60.8Low163 Ų16397.7 Ų97.787%0.87250%0.498SS*.THydrogen-bonded Turntrans64.85.6-178.2-53.8-29.5000115.9L460L460-D462 PolarHBondContact O-N 3.3Å
463Q67Low60.9Low143 Ų143101.5 Ų101.567%0.66851%0.51SS*.EExtended strand (participates in β ladder)trans-113.3141.7173.9-59.4-176.310.700111.3L460 D461L460-Q463 PolarHBondContact N-O 3.28Å; L460-Q463 WeakPolarHBondContact O-CA 3.29Å; L460-Q463 WeakPolarHBondContact O-CB 3.25Å; L460-Q463 PolarHBondContact O-N 2.99Å; L460-Q463 VanDerWaalsContact O-O 3.13Å; D461-Q463 PolarHBondContact O-N 3.35Å; D461-Q463 VanDerWaalsContact O-N 3.11Å
464Y68.2Low61Low142 Ų142101.6 Ų101.656%0.55751%0.506SS*.EExtended strand (participates in β ladder)trans-90.7115.4172.4-70-87.4000109.7I459 H466I459-Y464 HydrophobicContact CD1-CE1 3.89Å; I459-Y464 HydrophobicContact CG1-CD1 3.81Å; I459-Y464 HydrophobicContact CG1-CE1 3.44Å; I459-Y464 VanDerWaalsContact CG1-CE1 3.44Å; Y464-H466 PolarHBondContact O-N 3.03Å
465L72.6Confident60.9Low91 Ų91101.9 Ų101.948%0.47653%0.526SS..EExtended strand (participates in β ladder)trans-85.1103.6166.7-178.566.6000108.6S457 I458 L460 I467S457-L465 CarbonylContact C-O 3.57Å; S457-L465 WeakPolarHBondContact CA-O 3.25Å; I458-L465 PolarHBondContact N-O 2.95Å; I458-L465 PolarHBondContact O-N 3.22Å; L460-L465 HydrophobicContact CD1-CB 4.22Å; L460-L465 HydrophobicContact CD1-CD2 4.02Å; L465-I467 HydrophobicContact CD2-CG1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.36Å; L465-I467 PolarHBondContact O-N 2.94Å
466H67.2Low60.3Low90 Ų90107.7 Ų107.742%0.41754%0.544SS..EExtended strand (participates in β ladder)trans-83114.5173.5-56.6-74.5000110.7L455 S457 Y464L455-H466 HydrophobicContact CD2-CB 3.78Å; S457-H466 PolarHBondContact OG-CE1 3.18Å; S457-H466 VanDerWaalsContact OG-CE1 3.29Å; S457-H466 PolarHBondContact OG-ND1 3.37Å; Y464-H466 PolarHBondContact O-N 3.03Å
467I66.7Low60Low72 Ų72113.3 Ų113.337%0.36956%0.561SS.*EExtended strand (participates in β ladder)trans-95.2109.4172.3-55.6175.4000107.1H456 I458 L465 P469H456-I467 HydrophobicContact CB-CB 4.31Å; H456-I467 PolarHBondContact N-O 2.93Å; H456-I467 PolarHBondContact O-N 3.47Å; I458-I467 HydrophobicContact CD1-CD1 3.59Å; I458-I467 HydrophobicContact CG1-CD1 4.25Å; L465-I467 HydrophobicContact CD2-CG1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.36Å; L465-I467 PolarHBondContact O-N 2.94Å; I467-P469 WeakPolarHBondContact O-CD 3.36Å
468L57.8Low59Low105 Ų105117.4 Ų117.455%0.5557%0.572SS.*  trans-70.4121.2166.6-76.8166.1000108.2L455 W470L455-L468 HydrophobicContact CD2-CD2 3.27Å; L455-L468 HydrophobicContact CD2-CG 3.57Å; L455-L468 HydrophobicContact CG-CD2 3.76Å; L468-W470 PolarHBondContact O-N 3.41Å
469P54.1Low57.8Low22 Ų22118.7 Ų118.714%0.14358%0.575CS.*  trans-60.2127.5164.525.3-29.9000106.8N454 I467 V471N454-P469 WeakPolarHBondContact O-CD 3.39Å; N454-P469 VanDerWaalsContact O-CG 3.3Å; N454-P469 WeakPolarHBondContact O-CG 3.46Å; I467-P469 WeakPolarHBondContact O-CD 3.36Å; P469-V471 PolarHBondContact O-N 2.87Å
470W54.3Low56.9Low186 Ų186121 Ų12171%0.70558%0.581SS**  trans-61.2108.9170.9-78.856.2000107L468 P498L468-W470 PolarHBondContact O-N 3.41Å; W470-P498 HydrophobicContact CZ3-CG 4.45Å
471V49.4Very low56Low56 Ų56123.2 Ų123.234%0.33959%0.588SS.*  trans-88.9112172.1-174.20000105.4P452 P469 M473P452-V471 HydrophobicContact CB-CB 4.46Å; P452-V471 HydrophobicContact CB-CG1 4.23Å; P452-V471 HydrophobicContact CB-CG2 3.95Å; P452-V471 WeakPolarHBondContact O-CG2 3.32Å; P469-V471 PolarHBondContact O-N 2.87Å; V471-M473 PolarHBondContact O-N 2.83Å
472D46.6Very low55.4Low75 Ų75118.6 Ų118.640%0.40157%0.566SS.*  trans-61.1107.6166.9-164.3-7.8000107.5I474D472-I474 PolarHBondContact O-N 3.5Å; D472-I474 VanDerWaalsContact O-N 3.08Å; D472-I474 PolarHBondContact OD1-N 3.1Å
473M48.4Very low54.5Low168 Ų168113.6 Ų113.683%0.82854%0.543SS*.SBendtrans-70.52.4-176.7-80-17652.900112.7V471V471-M473 PolarHBondContact O-N 2.83Å
474I50.3Low53.7Low103 Ų103113.3 Ų113.353%0.52856%0.556SS.*SBendtrans-128.265.5-174.7-46-177.7000110.2D472 Y476 M495D472-I474 PolarHBondContact O-N 3.5Å; D472-I474 VanDerWaalsContact O-N 3.08Å; D472-I474 PolarHBondContact OD1-N 3.1Å; I474-Y476 WeakPolarHBondContact O-CD2 3.49Å; I474-Y476 PolarHBondContact O-N 3.48Å; I474-M495 HydrophobicContact CD1-CE 4.12Å; I474-M495 HydrophobicContact CD1-SD 3.44Å; I474-M495 WeakPolarHBondContact CD1-SD 3.33Å
475G48.7Very low53.2Low78 Ų78108.9 Ų108.980%0.80455%0.545SS*.SBendtrans60.27.3150.400000119.5
476Y43.5Very low52.8Low195 Ų195111.3 Ų111.377%0.76556%0.559SS**SBendtrans-125.5152.8-178-79.8-89.7000111.3I474I474-Y476 WeakPolarHBondContact O-CD2 3.49Å; I474-Y476 PolarHBondContact O-N 3.48Å
477R51.2Low52.8Low206 Ų206112.6 Ų112.678%0.77757%0.565SS**  trans-48.1140.1-166.3-70.9179.9176.5-150.1-2.1113.1H479R477-H479 PolarHBondContact O-CD2 3.11Å; R477-H479 PolarHBondContact O-N 3.1Å
478R46.6Very low52.6Low121 Ų121112.5 Ų112.546%0.45756%0.563SS.*  trans-50.9101.9170-71.9-179.4175.3174.9-1.5110.4
479H45.4Very low52.9Low114 Ų114112.5 Ų112.553%0.52856%0.563SS.*  trans-117.1114.9167.9-70.3-63.6000108.1R477 F481R477-H479 PolarHBondContact O-CD2 3.11Å; R477-H479 PolarHBondContact O-N 3.1Å; H479-F481 WeakPolarHBondContact CB-O 3.15Å; H479-F481 PolarHBondContact O-N 3.11Å
480F48.8Very low53.5Low161 Ų161113.8 Ų113.871%0.70657%0.573SS**SBendtrans-63.6-18.7177.6-118.2-90.3000112.7
481F50.6Low54Low145 Ų145109.7 Ų109.764%0.63656%0.562SS**SBendtrans-139135.4175.4-63.4-82.2000107.9H479 S483H479-F481 WeakPolarHBondContact CB-O 3.15Å; H479-F481 PolarHBondContact O-N 3.11Å; F481-S483 PolarHBondContact O-N 3.34Å
482P52.3Low54.5Low54 Ų54111.3 Ų111.335%0.35157%0.568SS.*  trans-53.8139171.621-30.4000109.7C484 E488 L492P482-C484 PolarHBondContact O-N 3.42Å; P482-E488 HydrophobicContact CB-CB 4.47Å; P482-L492 HydrophobicContact CB-CD1 3.57Å; P482-L492 HydrophobicContact CG-CD1 3.71Å
483S54.6Low55.4Low58 Ų58112.4 Ų112.441%0.40658%0.577SS.*  trans-61.7137170.6-51.70000106.1F481 S485 E488F481-S483 PolarHBondContact O-N 3.34Å; S483-S485 PolarHBondContact O-N 3.08Å; S483-E488 WeakPolarHBondContact CA-OE2 3.46Å; S483-E488 VanDerWaalsContact CB-OE2 3.29Å; S483-E488 WeakPolarHBondContact CB-OE2 3.37Å; S483-E488 PolarHBondContact N-OE2 3.25Å
484C51.4Low56.4Low138 Ų138109.8 Ų109.893%0.93257%0.571SS**SBendtrans-6734.1-168.5-59.90000115.7P482P482-C484 PolarHBondContact O-N 3.42Å
485S57.5Low56.8Low48 Ų48108.3 Ų108.334%0.33656%0.563SS.*  trans-78.6129.4167760000109.2S483 Q487 E488 L489S483-S485 PolarHBondContact O-N 3.08Å; S485-Q487 PolarHBondContact O-N 3.26Å; S485-E488 PolarHBondContact O-N 3.13Å; S485-E488 VanDerWaalsContact O-N 3.15Å; S485-E488 WeakPolarHBondContact OG-CB 3.47Å; S485-E488 WeakPolarHBondContact OG-CG 3.36Å; S485-E488 PolarHBondContact OG-N 3.34Å; S485-E488 PolarHBondContact OG-OE1 3.12Å; S485-L489 PolarHBondContact O-N 2.99Å
486D64.1Low57.2Low143 Ų143110 Ų11077%0.76556%0.559SS**Hα-helixtrans-56.2-24.3176.5-70.6-33.8000112S490D486-S490 PolarHBondContact O-N 3.38Å; D486-S490 VanDerWaalsContact O-N 3.17Å; D486-S490 PolarHBondContact O-OG 2.95Å
487Q67.4Low57.7Low117 Ų117107.8 Ų107.855%0.54756%0.556SS.*Hα-helixtrans-67.1-50.8176.5-171.765.330.800112S485 L489 S490 E491S485-Q487 PolarHBondContact O-N 3.26Å; Q487-L489 VanDerWaalsContact C-N 3.29Å; Q487-L489 PolarHBondContact O-N 3.49Å; Q487-S490 PolarHBondContact O-N 3.04Å; Q487-S490 VanDerWaalsContact O-N 3.1Å; Q487-S490 PolarHBondContact O-OG 3.31Å; Q487-E491 PolarHBondContact NE2-OE1 2.8Å; Q487-E491 PolarHBondContact O-N 3.45Å
488E61.5Low57.5Low69 Ų69101.8 Ų101.832%0.32254%0.544SS..Hα-helixtrans-61.8-37.6178-80.2168.3-131.200111.9P482 S483 S485 S490 E491 L492P482-E488 HydrophobicContact CB-CB 4.47Å; S483-E488 WeakPolarHBondContact CA-OE2 3.46Å; S483-E488 VanDerWaalsContact CB-OE2 3.29Å; S483-E488 WeakPolarHBondContact CB-OE2 3.37Å; S483-E488 PolarHBondContact N-OE2 3.25Å; S485-E488 PolarHBondContact O-N 3.13Å; S485-E488 VanDerWaalsContact O-N 3.15Å; S485-E488 WeakPolarHBondContact OG-CB 3.47Å; S485-E488 WeakPolarHBondContact OG-CG 3.36Å; S485-E488 PolarHBondContact OG-N 3.34Å; S485-E488 PolarHBondContact OG-OE1 3.12Å; E488-S490 VanDerWaalsContact C-N 3.31Å; E488-S490 PolarHBondContact O-N 3.44Å; E488-E491 PolarHBondContact O-N 2.69Å; E488-L492 WeakPolarHBondContact O-CB 3.3Å; E488-L492 PolarHBondContact O-N 2.82Å
489L63.6Low57Low105 Ų105108.8 Ų108.855%0.5557%0.57SS.*Hα-helixtrans-65.7-36176.8-159.877.5000111.9S485 Q487 T493S485-L489 PolarHBondContact O-N 2.99Å; Q487-L489 VanDerWaalsContact C-N 3.29Å; Q487-L489 PolarHBondContact O-N 3.49Å; L489-T493 PolarHBondContact O-N 3.3Å
490S67Low57.6Low50 Ų50108.6 Ų108.635%0.3557%0.573SS.*Hα-helixtrans-69.9-38.1175.369.80000112.1D486 Q487 E488 T493 T494D486-S490 PolarHBondContact O-N 3.38Å; D486-S490 VanDerWaalsContact O-N 3.17Å; D486-S490 PolarHBondContact O-OG 2.95Å; Q487-S490 PolarHBondContact O-N 3.04Å; Q487-S490 VanDerWaalsContact O-N 3.1Å; Q487-S490 PolarHBondContact O-OG 3.31Å; E488-S490 VanDerWaalsContact C-N 3.31Å; E488-S490 PolarHBondContact O-N 3.44Å; S490-T493 PolarHBondContact O-N 3.05Å; S490-T493 VanDerWaalsContact O-N 3.11Å; S490-T493 PolarHBondContact O-OG1 3.28Å; S490-T494 PolarHBondContact O-N 2.85Å; S490-T494 PolarHBondContact O-OG1 2.89Å
491E65.1Low58.1Low100 Ų100105.8 Ų105.847%0.46757%0.566SS.*Hα-helixtrans-66-39175.9-72.4171.4-162.100111.6Q487 E488 T493 T494 M495Q487-E491 PolarHBondContact NE2-OE1 2.8Å; Q487-E491 PolarHBondContact O-N 3.45Å; E488-E491 PolarHBondContact O-N 2.69Å; E491-T493 VanDerWaalsContact C-N 3.25Å; E491-T493 PolarHBondContact O-N 2.95Å; E491-T494 WeakPolarHBondContact CA-OG1 3.3Å; E491-T494 PolarHBondContact O-N 3.46Å; E491-T494 VanDerWaalsContact O-N 3.08Å; E491-T494 PolarHBondContact O-OG1 3.39Å; E491-M495 WeakPolarHBondContact O-CG 3.43Å; E491-M495 PolarHBondContact O-N 3.03Å
492L60.9Low58.5Low89 Ų89103.6 Ų103.647%0.46656%0.562SS.*Hα-helixtrans-61.2-28.2170.8-95.1148.7000113.8P482 E488P482-L492 HydrophobicContact CB-CD1 3.57Å; P482-L492 HydrophobicContact CG-CD1 3.71Å; E488-L492 WeakPolarHBondContact O-CB 3.3Å; E488-L492 PolarHBondContact O-N 2.82Å
493T64.6Low58.8Low99 Ų99106.5 Ų106.561%0.60757%0.574SS**Hα-helixtrans-80.6-19.6174.552.80000114.1L489 S490 E491L489-T493 PolarHBondContact O-N 3.3Å; S490-T493 PolarHBondContact O-N 3.05Å; S490-T493 VanDerWaalsContact O-N 3.11Å; S490-T493 PolarHBondContact O-OG1 3.28Å; E491-T493 VanDerWaalsContact C-N 3.25Å; E491-T493 PolarHBondContact O-N 2.95Å
494T69.3Low59.1Low113 Ų113109.6 Ų109.669%0.69359%0.585SS**Hα-helixtrans-93.2-16.5175.338.90000113.9S490 E491S490-T494 PolarHBondContact O-N 2.85Å; S490-T494 PolarHBondContact O-OG1 2.89Å; E491-T494 WeakPolarHBondContact CA-OG1 3.3Å; E491-T494 PolarHBondContact O-N 3.46Å; E491-T494 VanDerWaalsContact O-N 3.08Å; E491-T494 PolarHBondContact O-OG1 3.39Å
495M58Low59.6Low72 Ų72107.7 Ų107.736%0.35556%0.561SS.*SBendtrans-56.7133.8172.5-74.2-94.6-78.300110.1I474 E491 E497I474-M495 HydrophobicContact CD1-CE 4.12Å; I474-M495 HydrophobicContact CD1-SD 3.44Å; I474-M495 WeakPolarHBondContact CD1-SD 3.33Å; E491-M495 WeakPolarHBondContact O-CG 3.43Å; E491-M495 PolarHBondContact O-N 3.03Å; M495-E497 PolarHBondContact O-N 2.72Å
496P58.6Low59.8Low112 Ų112111.9 Ų111.973%0.72758%0.577SS**PPolyproline II helixtrans-55.9132.7168.223.6-29.9000108.2P498P496-P498 WeakPolarHBondContact O-CD 3.14Å; P496-P498 VanDerWaalsContact O-N 3.13Å
497E53.6Low59.4Low150 Ų150109.5 Ų109.570%0.70156%0.563SS**PPolyproline II helixtrans-53.3120.5179.9-84.3-172.4158.300109.2M495 W499M495-E497 PolarHBondContact O-N 2.72Å; E497-W499 PolarHBondContact O-N 3.44Å
498P46.1Very low58.8Low80 Ų80108.9 Ų108.952%0.51956%0.564SS.*  trans-83.786-178.932.6-31.1000108.7W470 P496W470-P498 HydrophobicContact CZ3-CG 4.45Å; P496-P498 WeakPolarHBondContact O-CD 3.14Å; P496-P498 VanDerWaalsContact O-N 3.13Å
499W37.2Very low58.5Low268 Ų268112.5 Ų112.5100%1.01559%0.586SS**  trans-148.70164.8-27.980.6000109.7E497E497-W499 PolarHBondContact O-N 3.44Å

Retrieved 499 of 499 residues in 116.4 ms (Link to these results)