A0A087XBN5_POEFO Loading...

SR-related CTD-associated factor 4b

AlphaFold DB , UniProt , Accession A0A087XBN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 909 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
1T59.3Low75.3Confident105 Ų10560.4 Ų60.464%0.64432%0.318SS*.  0-79.40-38.20000113.1N3 Q4 Y5T1-N3 PolarHBondContact O-N 3.24Å; T1-Q4 WeakPolarHBondContact O-CB 3.45Å; T1-Q4 PolarHBondContact O-N 3.12Å; T1-Q4 PolarHBondContact O-OE1 2.97Å; T1-Y5 HydrophobicContact CG2-CD2 4.01Å; T1-Y5 HydrophobicContact CG2-CE2 3.74Å; T1-Y5 PolarHBondContact O-N 3.14Å
2I73.7Confident75.3Confident136 Ų13661.2 Ų61.270%0.69732%0.317SS*.Hα-helixtrans-51.7-48.6-171-61.6174000113.2Q4 Y5 L6I2-Q4 VanDerWaalsContact C-N 3.28Å; I2-Q4 PolarHBondContact O-N 3.35Å; I2-Y5 WeakPolarHBondContact O-CB 3.48Å; I2-Y5 PolarHBondContact O-N 3.43Å; I2-Y5 VanDerWaalsContact O-N 3.13Å; I2-L6 PolarHBondContact O-N 2.92Å
3N70.6Confident75.5Confident64 Ų6459.5 Ų59.534%0.34232%0.317SS..Hα-helixtrans-67-26.3-177.8-59.81.3000113.3T1 I7 K35 A36T1-N3 PolarHBondContact O-N 3.24Å; N3-I7 WeakPolarHBondContact O-CD1 3.16Å; N3-I7 VanDerWaalsContact O-CG1 3.31Å; N3-I7 WeakPolarHBondContact O-CG1 3.45Å; N3-I7 PolarHBondContact O-N 3.38Å; N3-I7 VanDerWaalsContact O-N 3.16Å; N3-K35 PolarHBondContact ND2-O 3.09Å; N3-A36 HydrophobicContact CB-CB 3.8Å
4Q71.5Confident75.3Confident20 Ų2055.2 Ų55.29%0.09330%0.295CS..Hα-helixtrans-70.5-43.7172-67.4147.5-62.300110.8T1 I2 L6 I7 L8 L39 H42T1-Q4 WeakPolarHBondContact O-CB 3.45Å; T1-Q4 PolarHBondContact O-N 3.12Å; T1-Q4 PolarHBondContact O-OE1 2.97Å; I2-Q4 VanDerWaalsContact C-N 3.28Å; I2-Q4 PolarHBondContact O-N 3.35Å; Q4-L6 VanDerWaalsContact C-N 3.3Å; Q4-L6 PolarHBondContact O-N 3.08Å; Q4-I7 PolarHBondContact O-N 3.37Å; Q4-L8 WeakPolarHBondContact O-CB 3.42Å; Q4-L8 WeakPolarHBondContact O-CG 3.39Å; Q4-L8 PolarHBondContact O-N 3.47Å; Q4-L39 HydrophobicContact CG-CD1 4Å; Q4-H42 HydrophobicContact CG-CB 4.23Å; Q4-H42 PolarHBondContact NE2-CD2 3.48Å; Q4-H42 VanDerWaalsContact NE2-CD2 3.25Å
5Y75.8Confident75.1Confident121 Ų12154.9 Ų54.948%0.47529%0.292SS..Hα-helixtrans-60.8-38.3173.6-81.1-62.8000112.2T1 I2 L8 S9 Y388T1-Y5 HydrophobicContact CG2-CD2 4.01Å; T1-Y5 HydrophobicContact CG2-CE2 3.74Å; T1-Y5 PolarHBondContact O-N 3.14Å; I2-Y5 WeakPolarHBondContact O-CB 3.48Å; I2-Y5 PolarHBondContact O-N 3.43Å; I2-Y5 VanDerWaalsContact O-N 3.13Å; Y5-L8 PolarHBondContact O-N 3.02Å; Y5-S9 VanDerWaalsContact O-CB 3.25Å; Y5-S9 WeakPolarHBondContact O-CB 3.47Å; Y5-S9 PolarHBondContact O-N 3.25Å; Y5-Y388 HydrophobicContact CD1-CE2 4.15Å; Y5-Y388 HydrophobicContact CE1-CD1 4.5Å; Y5-Y388 HydrophobicContact CE1-CD2 4.24Å; Y5-Y388 HydrophobicContact CE1-CE1 4.04Å; Y5-Y388 AromaticContact CE1-CE2 3.73Å; Y5-Y388 HydrophobicContact CE1-CE2 3.73Å; Y5-Y388 AromaticContact CE1-CZ 3.63Å; Y5-Y388 HydrophobicContact CE2-CE1 4.36Å; Y5-Y388 AromaticContact CE2-CZ 3.94Å; Y5-Y388 WeakPolarHBondContact CE2-OH 3.39Å; Y5-Y388 AromaticContact CZ-CE1 3.63Å; Y5-Y388 AromaticContact CZ-CZ 3.44Å; Y5-Y388 VanDerWaalsContact CZ-CZ 3.44Å; Y5-Y388 VanDerWaalsContact OH-CE1 3.23Å; Y5-Y388 WeakPolarHBondContact OH-CE1 3.43Å
6L79.1Confident74.5Confident73 Ų7359.2 Ų59.238%0.38231%0.31SS..Hα-helixtrans-62.5-47.6175.9-175.963.1000111.6I2 Q4 S9 Q10I2-L6 PolarHBondContact O-N 2.92Å; Q4-L6 VanDerWaalsContact C-N 3.3Å; Q4-L6 PolarHBondContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 3.32Å; L6-Q10 WeakPolarHBondContact O-CG 3.42Å; L6-Q10 PolarHBondContact O-N 3.29Å
7I80.3Confident74.3Confident0 Ų059.2 Ų59.20%031%0.309CS..Hα-helixtrans-64.1-44.7177.9-67.2160.8000111.3N3 Q4 S9 Q10 L11 A33 A36 V43 I46N3-I7 WeakPolarHBondContact O-CD1 3.16Å; N3-I7 VanDerWaalsContact O-CG1 3.31Å; N3-I7 WeakPolarHBondContact O-CG1 3.45Å; N3-I7 PolarHBondContact O-N 3.38Å; N3-I7 VanDerWaalsContact O-N 3.16Å; Q4-I7 PolarHBondContact O-N 3.37Å; I7-S9 PolarHBondContact O-N 3.08Å; I7-Q10 PolarHBondContact O-N 3.47Å; I7-L11 HydrophobicContact CG2-CD1 3.8Å; I7-L11 WeakPolarHBondContact O-CB 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.42Å; I7-L11 PolarHBondContact O-N 3.02Å; I7-A33 HydrophobicContact CD1-CB 4.47Å; I7-A36 HydrophobicContact CD1-CB 3.46Å; I7-A36 VanDerWaalsContact CD1-CB 3.46Å; I7-V43 HydrophobicContact CD1-CB 4.38Å; I7-V43 HydrophobicContact CD1-CG1 4Å; I7-V43 HydrophobicContact CD1-CG2 3.61Å; I7-I46 HydrophobicContact CG2-CG2 4.35Å
8L77.8Confident74Confident27 Ų2764.1 Ų64.114%0.14133%0.328CS..Hα-helixtrans-57.1-48.8173.9-81.6163.1000111.1Q4 Y5 Q10 L11 F12 I46 Y388Q4-L8 WeakPolarHBondContact O-CB 3.42Å; Q4-L8 WeakPolarHBondContact O-CG 3.39Å; Q4-L8 PolarHBondContact O-N 3.47Å; Y5-L8 PolarHBondContact O-N 3.02Å; L8-Q10 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 3.44Å; L8-F12 HydrophobicContact CB-CD2 4.22Å; L8-F12 HydrophobicContact CB-CE2 4.07Å; L8-F12 HydrophobicContact CD2-CE2 3.94Å; L8-F12 HydrophobicContact CD2-CZ 4.33Å; L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 WeakPolarHBondContact O-CG 3.47Å; L8-F12 PolarHBondContact O-N 3.17Å; L8-I46 HydrophobicContact CD1-CD1 4.26Å; L8-I46 HydrophobicContact CD2-CD1 4.35Å; L8-I46 HydrophobicContact CD2-CG1 4.1Å; L8-I46 HydrophobicContact CD2-CG2 3.64Å; L8-I46 HydrophobicContact CG-CD1 3.96Å; L8-I46 HydrophobicContact CG-CG1 4.27Å; L8-I46 HydrophobicContact CG-CG2 4.09Å; L8-Y388 HydrophobicContact CD1-CD2 3.85Å; L8-Y388 HydrophobicContact CD1-CE2 3.66Å
9S80.5Confident74Confident72 Ų7263.6 Ų63.650%0.50333%0.329SS..Hα-helixtrans-58.8-45.5177.2-177.90000111.9Y5 L6 I7 L11 F12 A13Y5-S9 VanDerWaalsContact O-CB 3.25Å; Y5-S9 WeakPolarHBondContact O-CB 3.47Å; Y5-S9 PolarHBondContact O-N 3.25Å; L6-S9 PolarHBondContact O-N 3.32Å; I7-S9 PolarHBondContact O-N 3.08Å; S9-L11 PolarHBondContact O-N 3.44Å; S9-F12 PolarHBondContact O-N 2.88Å; S9-A13 WeakPolarHBondContact O-CB 3.31Å; S9-A13 PolarHBondContact O-N 3.25Å
10Q80.9Confident73.8Confident42 Ų4266.6 Ų66.620%0.19635%0.353CS..Hα-helixtrans-63.7-40.9178.1-67.7-63.4-7.700112.4L6 I7 L8 A13 M14 K25 S28 V29L6-Q10 WeakPolarHBondContact O-CG 3.42Å; L6-Q10 PolarHBondContact O-N 3.29Å; I7-Q10 PolarHBondContact O-N 3.47Å; L8-Q10 PolarHBondContact O-N 3.05Å; Q10-A13 CarbonylContact O-C 3.45Å; Q10-M14 PolarHBondContact O-N 3.44Å; Q10-K25 WeakPolarHBondContact O-CE 3.49Å; Q10-K25 PolarHBondContact O-NZ 3.44Å; Q10-S28 PolarHBondContact NE2-OG 3.47Å; Q10-V29 HydrophobicContact CB-CG2 3.78Å
11L78.4Confident74.3Confident4 Ų464.6 Ų64.62%0.02134%0.342CS..Hα-helixtrans-74.4-35177.2-73.2167.7000113.2I7 L8 S9 A13 M14 I15 V29 I46 V47 F50 V65I7-L11 HydrophobicContact CG2-CD1 3.8Å; I7-L11 WeakPolarHBondContact O-CB 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.42Å; I7-L11 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 3.44Å; S9-L11 PolarHBondContact O-N 3.44Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 3.44Å; L11-M14 HydrophobicContact CD2-SD 4Å; L11-M14 WeakPolarHBondContact O-CA 3.5Å; L11-M14 WeakPolarHBondContact O-CB 3.43Å; L11-M14 PolarHBondContact O-N 3.44Å; L11-I15 PolarHBondContact O-N 3.19Å; L11-V29 HydrophobicContact CD2-CG1 4.03Å; L11-V29 HydrophobicContact CD2-CG2 4.34Å; L11-V29 HydrophobicContact CG-CG1 4.29Å; L11-I46 HydrophobicContact CD1-CG2 3.64Å; L11-V47 HydrophobicContact CD1-CG2 4.08Å; L11-F50 HydrophobicContact CB-CD2 4.25Å; L11-F50 HydrophobicContact CD2-CD2 4.32Å; L11-F50 HydrophobicContact CD2-CG 4.43Å; L11-V65 HydrophobicContact CD2-CG1 4.44Å; L11-V65 HydrophobicContact CD2-CG2 4.32Å
12F76.1Confident75.6Confident70 Ų7062.4 Ų62.431%0.30733%0.331SS..Hα-helixtrans-60.2-45.2171.1-80.8-53.6000110.9L8 S9 M14 I15 W384L8-F12 HydrophobicContact CB-CD2 4.22Å; L8-F12 HydrophobicContact CB-CE2 4.07Å; L8-F12 HydrophobicContact CD2-CE2 3.94Å; L8-F12 HydrophobicContact CD2-CZ 4.33Å; L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 WeakPolarHBondContact O-CG 3.47Å; L8-F12 PolarHBondContact O-N 3.17Å; S9-F12 PolarHBondContact O-N 2.88Å; F12-M14 PolarHBondContact O-N 3.35Å; F12-M14 VanDerWaalsContact O-N 3.12Å; F12-I15 HydrophobicContact CD1-CD1 4.03Å; F12-I15 HydrophobicContact CE1-CD1 4.45Å; F12-I15 WeakPolarHBondContact O-CB 3.39Å; F12-I15 PolarHBondContact O-N 3.07Å; F12-W384 HydrophobicContact CE1-CB 3.64Å; F12-W384 AromaticContact CE1-CD2 3.69Å; F12-W384 HydrophobicContact CE1-CD2 3.69Å; F12-W384 AromaticContact CE1-CE3 3.81Å; F12-W384 HydrophobicContact CE1-CE3 3.81Å; F12-W384 AromaticContact CE1-CG 3.66Å; F12-W384 HydrophobicContact CE1-CG 3.66Å; F12-W384 HydrophobicContact CZ-CB 3.89Å; F12-W384 HydrophobicContact CZ-CD2 4.21Å; F12-W384 AromaticContact CZ-CE3 3.92Å; F12-W384 HydrophobicContact CZ-CE3 3.92Å; F12-W384 HydrophobicContact CZ-CG 4.25Å
13A77.4Confident75.9Confident39 Ų3964.1 Ų64.132%0.32233%0.329SS..Hα-helixtrans-73.28.7172.100000114.1S9 Q10 L11 M17 K25S9-A13 WeakPolarHBondContact O-CB 3.31Å; S9-A13 PolarHBondContact O-N 3.25Å; Q10-A13 CarbonylContact O-C 3.45Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 3.44Å; A13-M17 WeakPolarHBondContact O-CG 3.48Å; A13-M17 VanDerWaalsContact O-SD 3.33Å; A13-K25 VanDerWaalsContact CB-NZ 3.31Å; A13-K25 WeakPolarHBondContact O-CE 3.44Å
14M72.8Confident76.7Confident0 Ų064.6 Ų64.60%034%0.341CS..Hα-helixtrans-98-23.5158.6-75.8176.849.100112.7Q10 L11 F12 E16 M17 I21 K25 V29 F50 P61 V65Q10-M14 PolarHBondContact O-N 3.44Å; L11-M14 HydrophobicContact CD2-SD 4Å; L11-M14 WeakPolarHBondContact O-CA 3.5Å; L11-M14 WeakPolarHBondContact O-CB 3.43Å; L11-M14 PolarHBondContact O-N 3.44Å; F12-M14 PolarHBondContact O-N 3.35Å; F12-M14 VanDerWaalsContact O-N 3.12Å; M14-E16 PolarHBondContact O-N 2.87Å; M14-M17 PolarHBondContact O-N 3.47Å; M14-I21 HydrophobicContact CE-CG1 4.27Å; M14-I21 HydrophobicContact CE-CG2 4.19Å; M14-I21 HydrophobicContact CG-CG2 4.27Å; M14-I21 HydrophobicContact SD-CG2 4.32Å; M14-K25 HydrophobicContact CG-CD 4.38Å; M14-K25 HydrophobicContact CG-CG 3.85Å; M14-K25 HydrophobicContact SD-CG 4.37Å; M14-V29 HydrophobicContact SD-CG2 3.73Å; M14-F50 HydrophobicContact CB-CE2 4.23Å; M14-F50 HydrophobicContact CB-CZ 4.33Å; M14-F50 HydrophobicContact CE-CZ 4.17Å; M14-P61 HydrophobicContact CE-CB 4.25Å; M14-V65 HydrophobicContact CE-CG2 3.84Å; M14-V65 HydrophobicContact SD-CG2 4.21Å
15I71.9Confident77.4Confident50 Ų5065 Ų6526%0.25634%0.342SS..Hα-helixtrans-67.2-30177.4-59-178.6000111.2L11 F12 F50 W384L11-I15 PolarHBondContact O-N 3.19Å; F12-I15 HydrophobicContact CD1-CD1 4.03Å; F12-I15 HydrophobicContact CE1-CD1 4.45Å; F12-I15 WeakPolarHBondContact O-CB 3.39Å; F12-I15 PolarHBondContact O-N 3.07Å; I15-F50 HydrophobicContact CD1-CD2 4.25Å; I15-F50 HydrophobicContact CD1-CE2 4.35Å; I15-F50 HydrophobicContact CG1-CD2 4Å; I15-F50 HydrophobicContact CG1-CE2 3.6Å; I15-W384 HydrophobicContact CD1-CZ2 4.12Å
16E66.6Low78.1Confident124 Ų12460.4 Ų60.458%0.57933%0.326SS*.THydrogen-bonded Turntrans-89.6-2.3-179.3-59.6-175.8137.500113.6M14 R381M14-E16 PolarHBondContact O-N 2.87Å; E16-R381 IonicContact OE1-CZ 3.26Å; E16-R381 IonicContact OE1-NH1 2.68Å; E16-R381 PolarHBondContact OE1-NH1 3.16Å; E16-R381 IonicContact OE1-NH2 2.96Å; E16-R381 PolarHBondContact OE1-NH2 2.7Å
17M70.2Confident78.6Confident60 Ų6062.1 Ų62.130%0.29633%0.333SS..SBendtrans-94.5120.9177.5-68.6178.869.800111A13 M14 I21 K25A13-M17 WeakPolarHBondContact O-CG 3.48Å; A13-M17 VanDerWaalsContact O-SD 3.33Å; M14-M17 PolarHBondContact O-N 3.47Å; M17-I21 HydrophobicContact CB-CD1 3.48Å; M17-I21 VanDerWaalsContact CB-CD1 3.48Å; M17-I21 HydrophobicContact CE-CD1 4.27Å; M17-I21 HydrophobicContact CG-CD1 4.42Å; M17-I21 HydrophobicContact SD-CD1 4.23Å; M17-K25 HydrophobicContact SD-CD 4.26Å; M17-K25 HydrophobicContact SD-CG 3.94Å
18K68.9Low79.1Confident147 Ų14764.1 Ų64.164%0.63935%0.347SS*.PPolyproline II helixtrans-60.3133.4162.8-65175.9-176.3171.30108.2E576K18-E576 IonicContact NZ-OE2 3.14Å; K18-E576 PolarHBondContact NZ-OE2 3.08Å
19P75.1Confident79.8Confident54 Ų5462.8 Ų62.835%0.35134%0.34SS..SBendtrans-59.9154.7174.4-23.833.6000112.7E57 L58P19-E57 HydrophobicContact CG-CB 4.09Å; P19-E57 VanDerWaalsContact CG-O 3.3Å; P19-E57 WeakPolarHBondContact CG-O 3.29Å; P19-L58 HydrophobicContact CG-CD2 4.24Å
20P68.6Low80.5Confident124 Ų12459.8 Ų59.881%0.80532%0.319SS*.SBendcis-79.7139.4331.6-35.1000113.7
21I84.3Confident81Confident25 Ų2565 Ų6513%0.12834%0.341CS..PPolyproline II helixtrans-70.2131174-56.3-57.6000109.7M14 M17 K25 M26 L58 P61M14-I21 HydrophobicContact CE-CG1 4.27Å; M14-I21 HydrophobicContact CE-CG2 4.19Å; M14-I21 HydrophobicContact CG-CG2 4.27Å; M14-I21 HydrophobicContact SD-CG2 4.32Å; M17-I21 HydrophobicContact CB-CD1 3.48Å; M17-I21 VanDerWaalsContact CB-CD1 3.48Å; M17-I21 HydrophobicContact CE-CD1 4.27Å; M17-I21 HydrophobicContact CG-CD1 4.42Å; M17-I21 HydrophobicContact SD-CD1 4.23Å; I21-K25 HydrophobicContact CG2-CB 3.95Å; I21-K25 HydrophobicContact CG2-CG 3.88Å; I21-M26 HydrophobicContact CG2-CE 4.42Å; I21-L58 HydrophobicContact CD1-CD2 4.25Å; I21-P61 HydrophobicContact CG1-CB 3.74Å; I21-P61 HydrophobicContact CG1-CG 3.95Å
22S86.2Confident81.7Confident59 Ų5965.2 Ų65.241%0.41334%0.343SS..PPolyproline II helixtrans-68.4146.4-174.872.80000113A24 K25 M26S22-A24 PolarHBondContact O-N 2.77Å; S22-K25 WeakPolarHBondContact O-CB 3.47Å; S22-K25 PolarHBondContact O-N 2.74Å; S22-K25 WeakPolarHBondContact OG-CB 3.41Å; S22-K25 PolarHBondContact OG-N 3.42Å; S22-M26 PolarHBondContact O-N 3.21Å
23R81.3Confident82.5Confident172 Ų17261.9 Ų61.965%0.64933%0.328SS*.Hα-helixtrans-54.3-40.6177.5-175.5178.2177.5-176.90.6112.2K25 M26 M27R23-K25 VanDerWaalsContact C-N 3.34Å; R23-K25 PolarHBondContact O-N 3.27Å; R23-M26 PolarHBondContact O-N 3.15Å; R23-M27 HydrophobicContact CG-CG 4.48Å; R23-M27 HydrophobicContact CG-SD 4.08Å; R23-M27 WeakPolarHBondContact O-CG 3.49Å; R23-M27 PolarHBondContact O-N 3.38Å
24A86.8Confident83.3Confident73 Ų7360.8 Ų60.860%0.60332%0.317SS*.Hα-helixtrans-61.7-38.8176.400000112.7S22 S28S22-A24 PolarHBondContact O-N 2.77Å; A24-S28 WeakPolarHBondContact O-CB 3.34Å; A24-S28 PolarHBondContact O-N 2.97Å
25K86.5Confident84.3Confident28 Ų2867.8 Ų67.812%0.12235%0.347CS..Hα-helixtrans-66.5-44.2175.3-17566.5176.1179.10111.5Q10 A13 M14 M17 I21 S22 R23 M27 S28 V29Q10-K25 WeakPolarHBondContact O-CE 3.49Å; Q10-K25 PolarHBondContact O-NZ 3.44Å; A13-K25 VanDerWaalsContact CB-NZ 3.31Å; A13-K25 WeakPolarHBondContact O-CE 3.44Å; M14-K25 HydrophobicContact CG-CD 4.38Å; M14-K25 HydrophobicContact CG-CG 3.85Å; M14-K25 HydrophobicContact SD-CG 4.37Å; M17-K25 HydrophobicContact SD-CD 4.26Å; M17-K25 HydrophobicContact SD-CG 3.94Å; I21-K25 HydrophobicContact CG2-CB 3.95Å; I21-K25 HydrophobicContact CG2-CG 3.88Å; S22-K25 WeakPolarHBondContact O-CB 3.47Å; S22-K25 PolarHBondContact O-N 2.74Å; S22-K25 WeakPolarHBondContact OG-CB 3.41Å; S22-K25 PolarHBondContact OG-N 3.42Å; R23-K25 VanDerWaalsContact C-N 3.34Å; R23-K25 PolarHBondContact O-N 3.27Å; K25-M27 PolarHBondContact O-N 3.03Å; K25-S28 WeakPolarHBondContact O-CB 3.14Å; K25-S28 PolarHBondContact O-N 3.13Å; K25-V29 PolarHBondContact O-N 3.11Å
26M90.4Very high85.2Confident26 Ų2665.5 Ų65.513%0.12834%0.336CS..Hα-helixtrans-59.9-45.3175.7-165.362.767.700111.7I21 S22 R23 S28 V29 T30 V65I21-M26 HydrophobicContact CG2-CE 4.42Å; S22-M26 PolarHBondContact O-N 3.21Å; R23-M26 PolarHBondContact O-N 3.15Å; M26-S28 VanDerWaalsContact C-N 3.34Å; M26-S28 PolarHBondContact O-N 2.9Å; M26-V29 PolarHBondContact O-N 3.42Å; M26-T30 WeakPolarHBondContact O-CB 3.4Å; M26-T30 PolarHBondContact O-N 2.92Å; M26-T30 PolarHBondContact O-OG1 3.29Å; M26-V65 HydrophobicContact CE-CG2 4.17Å; M26-V65 HydrophobicContact SD-CB 4.28Å; M26-V65 HydrophobicContact SD-CG2 3.47Å; M26-V65 WeakPolarHBondContact SD-CG2 3.42Å
27M89Confident86.5Confident108 Ų10861.6 Ų61.653%0.53232%0.319SS..Hα-helixtrans-64.5-35.6175-70.5177.473.300112.3R23 K25 T30 K31R23-M27 HydrophobicContact CG-CG 4.48Å; R23-M27 HydrophobicContact CG-SD 4.08Å; R23-M27 WeakPolarHBondContact O-CG 3.49Å; R23-M27 PolarHBondContact O-N 3.38Å; K25-M27 PolarHBondContact O-N 3.03Å; M27-T30 PolarHBondContact O-N 3.05Å; M27-K31 VanDerWaalsContact O-CB 3.27Å; M27-K31 WeakPolarHBondContact O-CB 3.36Å; M27-K31 PolarHBondContact O-N 3.08Å
28S90.8Very high87.5Confident42 Ų4268.4 Ų68.429%0.29435%0.346SS..Hα-helixtrans-65.3-43.8175.9-171.40000112.7Q10 A24 K25 M26 S32Q10-S28 PolarHBondContact NE2-OG 3.47Å; A24-S28 WeakPolarHBondContact O-CB 3.34Å; A24-S28 PolarHBondContact O-N 2.97Å; K25-S28 WeakPolarHBondContact O-CB 3.14Å; K25-S28 PolarHBondContact O-N 3.13Å; M26-S28 VanDerWaalsContact C-N 3.34Å; M26-S28 PolarHBondContact O-N 2.9Å; S28-S32 WeakPolarHBondContact O-CB 3.19Å; S28-S32 PolarHBondContact O-N 3.02Å; S28-S32 PolarHBondContact O-OG 2.85Å
29V92.2Very high88.7Confident0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-60.9-47.7172.6173.30000110.4Q10 L11 M14 K25 M26 S32 A33 V65Q10-V29 HydrophobicContact CB-CG2 3.78Å; L11-V29 HydrophobicContact CD2-CG1 4.03Å; L11-V29 HydrophobicContact CD2-CG2 4.34Å; L11-V29 HydrophobicContact CG-CG1 4.29Å; M14-V29 HydrophobicContact SD-CG2 3.73Å; K25-V29 PolarHBondContact O-N 3.11Å; M26-V29 PolarHBondContact O-N 3.42Å; V29-S32 WeakPolarHBondContact O-CB 3.24Å; V29-S32 PolarHBondContact O-N 3.48Å; V29-A33 WeakPolarHBondContact O-CB 3.26Å; V29-A33 PolarHBondContact O-N 3.28Å; V29-V65 HydrophobicContact CG1-CG1 3.73Å; V29-V65 HydrophobicContact CG1-CG2 4.17Å
30T95.2Very high89.6Confident9 Ų964.6 Ų64.66%0.05533%0.325CS..Hα-helixtrans-61.1-49.6-179.5-50.10000111.7M26 M27 S32 A33 I34 S68 I69 Q72M26-T30 WeakPolarHBondContact O-CB 3.4Å; M26-T30 PolarHBondContact O-N 2.92Å; M26-T30 PolarHBondContact O-OG1 3.29Å; M27-T30 PolarHBondContact O-N 3.05Å; T30-S32 PolarHBondContact O-N 3.09Å; T30-A33 PolarHBondContact O-N 3.21Å; T30-I34 HydrophobicContact CG2-CG1 4.37Å; T30-I34 WeakPolarHBondContact O-CB 3.08Å; T30-I34 VanDerWaalsContact O-CG1 3.27Å; T30-I34 WeakPolarHBondContact O-CG1 3.5Å; T30-I34 PolarHBondContact O-N 3.04Å; T30-S68 WeakPolarHBondContact CG2-O 3.25Å; T30-S68 WeakPolarHBondContact OG1-CB 3.43Å; T30-S68 PolarHBondContact OG1-OG 3.26Å; T30-I69 HydrophobicContact CG2-CG1 4.49Å; T30-Q72 HydrophobicContact CG2-CB 3.69Å; T30-Q72 HydrophobicContact CG2-CG 3.93Å
31K93.1Very high90.9Very high150 Ų15064.6 Ų64.665%0.65231%0.313SS*.Hα-helixtrans-62-31.4177.4-167.5163.5-173.1164.30112M27 K35M27-K31 VanDerWaalsContact O-CB 3.27Å; M27-K31 WeakPolarHBondContact O-CB 3.36Å; M27-K31 PolarHBondContact O-N 3.08Å; K31-K35 WeakPolarHBondContact O-CB 3.5Å; K31-K35 VanDerWaalsContact O-CG 3.31Å; K31-K35 WeakPolarHBondContact O-CG 3.31Å; K31-K35 PolarHBondContact O-N 3.2Å; K31-K35 VanDerWaalsContact O-N 3.17Å
32S91.8Very high91.2Very high10 Ų1065.9 Ų65.97%0.0732%0.318CS..Hα-helixtrans-72.9-44.7174.1-55.80000112.3S28 V29 T30 K35 A36S28-S32 WeakPolarHBondContact O-CB 3.19Å; S28-S32 PolarHBondContact O-N 3.02Å; S28-S32 PolarHBondContact O-OG 2.85Å; V29-S32 WeakPolarHBondContact O-CB 3.24Å; V29-S32 PolarHBondContact O-N 3.48Å; T30-S32 PolarHBondContact O-N 3.09Å; S32-K35 PolarHBondContact O-N 3.18Å; S32-A36 WeakPolarHBondContact O-CB 3.49Å; S32-A36 PolarHBondContact O-N 3.28Å; S32-A36 VanDerWaalsContact O-N 3.15Å
33A94.1Very high91.6Very high0 Ų063.1 Ų63.10%030%0.299CS..Hα-helixtrans-59.5-47.3176.400000112.3I7 V29 T30 A36 I37 V43 I69I7-A33 HydrophobicContact CD1-CB 4.47Å; V29-A33 WeakPolarHBondContact O-CB 3.26Å; V29-A33 PolarHBondContact O-N 3.28Å; T30-A33 PolarHBondContact O-N 3.21Å; A33-A36 CarbonylContact O-C 3.57Å; A33-A36 WeakPolarHBondContact O-CA 3.28Å; A33-A36 WeakPolarHBondContact O-CB 3.33Å; A33-A36 PolarHBondContact O-N 2.97Å; A33-I37 PolarHBondContact O-N 3.09Å; A33-V43 HydrophobicContact CB-CG1 3.74Å; A33-I69 HydrophobicContact CB-CD1 3.5Å; A33-I69 VanDerWaalsContact CB-CD1 3.5Å; A33-I69 HydrophobicContact CB-CG1 3.68Å; A33-I69 HydrophobicContact CB-CG2 4.37Å
34I93.9Very high92.2Very high15 Ų1554.9 Ų54.98%0.07727%0.268CS..Hα-helixtrans-65.8-43.7179.1-67.2-69.4000111.4T30 A36 I37 Q72 F77 F84T30-I34 HydrophobicContact CG2-CG1 4.37Å; T30-I34 WeakPolarHBondContact O-CB 3.08Å; T30-I34 VanDerWaalsContact O-CG1 3.27Å; T30-I34 WeakPolarHBondContact O-CG1 3.5Å; T30-I34 PolarHBondContact O-N 3.04Å; I34-A36 PolarHBondContact O-N 3.5Å; I34-I37 WeakPolarHBondContact O-CB 3.44Å; I34-I37 PolarHBondContact O-N 3.4Å; I34-Q72 HydrophobicContact CD1-CB 4.08Å; I34-Q72 HydrophobicContact CD1-CG 3.97Å; I34-Q72 HydrophobicContact CG1-CB 4.18Å; I34-Q72 HydrophobicContact CG1-CG 3.74Å; I34-F77 HydrophobicContact CD1-CE2 4.43Å; I34-F77 HydrophobicContact CG2-CE2 4.28Å; I34-F77 HydrophobicContact CG2-CZ 4.34Å; I34-F84 HydrophobicContact CD1-CE2 4.36Å
35K93.1Very high92.6Very high147 Ų14754 Ų5464%0.63925%0.251SS*.Hα-helixtrans-60.6-14.3169.3-79-172172.6-162.40113.8N3 K31 S32N3-K35 PolarHBondContact ND2-O 3.09Å; K31-K35 WeakPolarHBondContact O-CB 3.5Å; K31-K35 VanDerWaalsContact O-CG 3.31Å; K31-K35 WeakPolarHBondContact O-CG 3.31Å; K31-K35 PolarHBondContact O-N 3.2Å; K31-K35 VanDerWaalsContact O-N 3.17Å; S32-K35 PolarHBondContact O-N 3.18Å
36A91.7Very high92.8Very high2 Ų253.8 Ų53.82%0.01725%0.251CS..THydrogen-bonded Turntrans-104.717.2176.300000113.8N3 I7 S32 A33 I34 K38 L39 Y40 V43N3-A36 HydrophobicContact CB-CB 3.8Å; I7-A36 HydrophobicContact CD1-CB 3.46Å; I7-A36 VanDerWaalsContact CD1-CB 3.46Å; S32-A36 WeakPolarHBondContact O-CB 3.49Å; S32-A36 PolarHBondContact O-N 3.28Å; S32-A36 VanDerWaalsContact O-N 3.15Å; A33-A36 CarbonylContact O-C 3.57Å; A33-A36 WeakPolarHBondContact O-CA 3.28Å; A33-A36 WeakPolarHBondContact O-CB 3.33Å; A33-A36 PolarHBondContact O-N 2.97Å; I34-A36 PolarHBondContact O-N 3.5Å; A36-K38 PolarHBondContact O-N 2.87Å; A36-K38 VanDerWaalsContact O-N 3.09Å; A36-L39 CarbonylContact O-C 3.47Å; A36-L39 WeakPolarHBondContact O-CA 3.45Å; A36-L39 PolarHBondContact O-N 2.83Å; A36-Y40 PolarHBondContact O-N 3.33Å; A36-V43 HydrophobicContact CB-CG2 3.81Å
37I93.1Very high93.1Very high43 Ų4352.5 Ų52.522%0.22125%0.245CC..G310 helixtrans-51.3-36.2-175.8-172.3163.9000114.4A33 I34 L39 Y40 F77 V83 F84A33-I37 PolarHBondContact O-N 3.09Å; I34-I37 WeakPolarHBondContact O-CB 3.44Å; I34-I37 PolarHBondContact O-N 3.4Å; I37-L39 PolarHBondContact O-N 3.07Å; I37-Y40 WeakPolarHBondContact O-CB 3.36Å; I37-Y40 WeakPolarHBondContact O-CD1 3.25Å; I37-Y40 PolarHBondContact O-N 2.76Å; I37-F77 HydrophobicContact CD1-CD2 3.64Å; I37-F77 HydrophobicContact CD1-CE1 4.45Å; I37-F77 HydrophobicContact CD1-CE2 3.41Å; I37-F77 VanDerWaalsContact CD1-CE2 3.41Å; I37-F77 HydrophobicContact CD1-CG 4.29Å; I37-F77 HydrophobicContact CD1-CZ 3.86Å; I37-V83 HydrophobicContact CD1-CG2 3.93Å; I37-V83 HydrophobicContact CG1-CG2 3.58Å; I37-F84 HydrophobicContact CB-CE2 4.18Å; I37-F84 HydrophobicContact CB-CZ 4.46Å; I37-F84 HydrophobicContact CD1-CE2 4.22Å; I37-F84 HydrophobicContact CG1-CE2 3.9Å
38K92.6Very high93.4Very high202 Ų20248.6 Ų48.688%0.87823%0.225SC*.G310 helixtrans-59.5-15.3173.9-66.1-171.2177.7-175.50114.1A36A36-K38 PolarHBondContact O-N 2.87Å; A36-K38 VanDerWaalsContact O-N 3.09Å
39L92.1Very high93.4Very high56 Ų5649.8 Ų49.829%0.29323%0.225SC..G310 helixtrans-12019.5-178.8-59.3171.5000112Q4 A36 I37 K41 H42 V43Q4-L39 HydrophobicContact CG-CD1 4Å; A36-L39 CarbonylContact O-C 3.47Å; A36-L39 WeakPolarHBondContact O-CA 3.45Å; A36-L39 PolarHBondContact O-N 2.83Å; I37-L39 PolarHBondContact O-N 3.07Å; L39-K41 PolarHBondContact O-N 3.46Å; L39-H42 WeakPolarHBondContact O-CB 3.1Å; L39-H42 PolarHBondContact O-N 2.78Å; L39-V43 PolarHBondContact O-N 3.19Å
40Y95.1Very high93.4Very high66 Ų6650 Ų5026%0.25923%0.226SC..Hα-helixtrans-45.7-38.5-173.671.6-83.9000114.6A36 I37 H42 V43 V44 V83 R87A36-Y40 PolarHBondContact O-N 3.33Å; I37-Y40 WeakPolarHBondContact O-CB 3.36Å; I37-Y40 WeakPolarHBondContact O-CD1 3.25Å; I37-Y40 PolarHBondContact O-N 2.76Å; Y40-H42 VanDerWaalsContact C-N 3.3Å; Y40-H42 PolarHBondContact O-N 2.91Å; Y40-V43 WeakPolarHBondContact O-CB 3.41Å; Y40-V43 PolarHBondContact O-N 3.24Å; Y40-V44 WeakPolarHBondContact O-CG2 3.11Å; Y40-V44 PolarHBondContact O-N 3.18Å; Y40-V83 HydrophobicContact CD1-CB 3.97Å; Y40-V83 HydrophobicContact CD1-CG2 3.8Å; Y40-V83 HydrophobicContact CD2-CB 3.89Å; Y40-V83 HydrophobicContact CD2-CG2 4.06Å; Y40-V83 WeakPolarHBondContact CD2-O 3.49Å; Y40-V83 HydrophobicContact CE1-CB 4.2Å; Y40-V83 HydrophobicContact CE1-CG1 4.49Å; Y40-V83 HydrophobicContact CE1-CG2 4.5Å; Y40-V83 HydrophobicContact CE2-CB 4.14Å; Y40-V83 HydrophobicContact CG-CB 3.81Å; Y40-V83 HydrophobicContact CG-CG2 3.54Å; Y40-R87 HydrophobicContact CD2-CB 3.91Å; Y40-R87 HydrophobicContact CD2-CG 3.93Å; Y40-R87 HydrophobicContact CE2-CB 3.93Å; Y40-R87 HydrophobicContact CE2-CG 4.01Å
41K95.1Very high93.4Very high123 Ų12349.6 Ų49.654%0.53522%0.223SC..Hα-helixtrans-53.2-45.1176.4-62.7-177.4-178.1177.20112.2L39 Q45L39-K41 PolarHBondContact O-N 3.46Å; K41-Q45 WeakPolarHBondContact O-CB 3.19Å; K41-Q45 PolarHBondContact O-N 3.38Å
42H90.8Very high93.4Very high53 Ų5349 Ų4925%0.24522%0.221CC..Hα-helixtrans-72.4-38.9176.4-63.4-84.7000111.7Q4 L39 Y40 Q45 I46 Y391Q4-H42 HydrophobicContact CG-CB 4.23Å; Q4-H42 PolarHBondContact NE2-CD2 3.48Å; Q4-H42 VanDerWaalsContact NE2-CD2 3.25Å; L39-H42 WeakPolarHBondContact O-CB 3.1Å; L39-H42 PolarHBondContact O-N 2.78Å; Y40-H42 VanDerWaalsContact C-N 3.3Å; Y40-H42 PolarHBondContact O-N 2.91Å; H42-Q45 PolarHBondContact O-N 3.11Å; H42-I46 HydrophobicContact CB-CD1 4.5Å; H42-I46 WeakPolarHBondContact O-CB 3.17Å; H42-I46 VanDerWaalsContact O-CD1 3.29Å; H42-I46 WeakPolarHBondContact O-CD1 3.4Å; H42-I46 WeakPolarHBondContact O-CG1 3.2Å; H42-I46 PolarHBondContact O-N 3.48Å; H42-Y391 AromaticContact CE1-CE1 3.84Å; H42-Y391 AromaticContact ND1-CE1 3.74Å
43V94.1Very high93.2Very high0 Ų051.5 Ų51.50%023%0.23CC..Hα-helixtrans-60.3-49.1179.9-178.40000110.7I7 A33 A36 L39 Y40 I46 V47 F84I7-V43 HydrophobicContact CD1-CB 4.38Å; I7-V43 HydrophobicContact CD1-CG1 4Å; I7-V43 HydrophobicContact CD1-CG2 3.61Å; A33-V43 HydrophobicContact CB-CG1 3.74Å; A36-V43 HydrophobicContact CB-CG2 3.81Å; L39-V43 PolarHBondContact O-N 3.19Å; Y40-V43 WeakPolarHBondContact O-CB 3.41Å; Y40-V43 PolarHBondContact O-N 3.24Å; V43-I46 PolarHBondContact O-N 3.4Å; V43-V47 WeakPolarHBondContact O-CG2 3.34Å; V43-V47 PolarHBondContact O-N 2.73Å; V43-V47 VanDerWaalsContact O-N 3.08Å; V43-F84 HydrophobicContact CB-CE1 3.92Å; V43-F84 HydrophobicContact CG1-CE1 3.81Å; V43-F84 HydrophobicContact CG2-CE1 4.45Å
44V95.8Very high93Very high0 Ų052 Ų520%023%0.234CC..Hα-helixtrans-58.5-50.6175.1168.10000110.5Y40 I46 V47 E48 F84 R87 F88Y40-V44 WeakPolarHBondContact O-CG2 3.11Å; Y40-V44 PolarHBondContact O-N 3.18Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 3.39Å; V44-V47 PolarHBondContact O-N 2.75Å; V44-E48 VanDerWaalsContact CG1-CD 3.46Å; V44-E48 HydrophobicContact CG1-CG 4.06Å; V44-E48 WeakPolarHBondContact CG1-OE1 3.5Å; V44-E48 WeakPolarHBondContact O-CG 3.37Å; V44-E48 PolarHBondContact O-N 3.09Å; V44-F84 HydrophobicContact CG2-CD1 3.91Å; V44-R87 HydrophobicContact CB-CG 3.8Å; V44-R87 HydrophobicContact CG1-CG 3.82Å; V44-R87 HydrophobicContact CG2-CB 4.15Å; V44-R87 HydrophobicContact CG2-CG 3.72Å; V44-F88 HydrophobicContact CB-CD1 4.31Å; V44-F88 HydrophobicContact CB-CE1 4.08Å; V44-F88 HydrophobicContact CB-CZ 4.3Å; V44-F88 HydrophobicContact CG1-CD1 3.46Å; V44-F88 VanDerWaalsContact CG1-CD1 3.46Å; V44-F88 HydrophobicContact CG1-CE1 3.63Å; V44-F88 HydrophobicContact CG1-CG 3.99Å; V44-F88 HydrophobicContact CG1-CZ 4.3Å; V44-F88 HydrophobicContact CG2-CD1 4.24Å; V44-F88 HydrophobicContact CG2-CD2 4.01Å; V44-F88 HydrophobicContact CG2-CE1 4.04Å; V44-F88 HydrophobicContact CG2-CE2 3.81Å; V44-F88 HydrophobicContact CG2-CG 4.22Å; V44-F88 HydrophobicContact CG2-CZ 3.82Å
45Q93.3Very high92.8Very high54 Ų5456.4 Ų56.425%0.25225%0.252SS..Hα-helixtrans-57.9-36.7177.6-173.4-174.934.900113.5K41 H42 E48 K49 Y391K41-Q45 WeakPolarHBondContact O-CB 3.19Å; K41-Q45 PolarHBondContact O-N 3.38Å; H42-Q45 PolarHBondContact O-N 3.11Å; Q45-E48 WeakPolarHBondContact CA-OE2 3.3Å; Q45-K49 WeakPolarHBondContact O-CB 3.44Å; Q45-K49 PolarHBondContact O-N 3.24Å; Q45-Y391 VanDerWaalsContact NE2-CE2 3.31Å; Q45-Y391 PolarHBondContact NE2-OH 3.5Å; Q45-Y391 VanDerWaalsContact OE1-CE1 3.23Å; Q45-Y391 PolarHBondContact OE1-OH 3.47Å
46I92.7Very high92.6Very high23 Ų2352.5 Ų52.512%0.11824%0.242CC..Hα-helixtrans-67-40.2176.1-69.4157.9000110.4I7 L8 L11 H42 V43 V44 F50I7-I46 HydrophobicContact CG2-CG2 4.35Å; L8-I46 HydrophobicContact CD1-CD1 4.26Å; L8-I46 HydrophobicContact CD2-CD1 4.35Å; L8-I46 HydrophobicContact CD2-CG1 4.1Å; L8-I46 HydrophobicContact CD2-CG2 3.64Å; L8-I46 HydrophobicContact CG-CD1 3.96Å; L8-I46 HydrophobicContact CG-CG1 4.27Å; L8-I46 HydrophobicContact CG-CG2 4.09Å; L11-I46 HydrophobicContact CD1-CG2 3.64Å; H42-I46 HydrophobicContact CB-CD1 4.5Å; H42-I46 WeakPolarHBondContact O-CB 3.17Å; H42-I46 VanDerWaalsContact O-CD1 3.29Å; H42-I46 WeakPolarHBondContact O-CD1 3.4Å; H42-I46 WeakPolarHBondContact O-CG1 3.2Å; H42-I46 PolarHBondContact O-N 3.48Å; V43-I46 PolarHBondContact O-N 3.4Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 3.39Å; I46-F50 WeakPolarHBondContact O-CB 3.37Å; I46-F50 PolarHBondContact O-N 2.86Å
47V95.2Very high92.5Very high0 Ų056.3 Ų56.30%026%0.259CS..Hα-helixtrans-70.4-44.4177.2175.10000111.6L11 V43 V44 K49 F50 I51 V65 V66 I69 F88L11-V47 HydrophobicContact CD1-CG2 4.08Å; V43-V47 WeakPolarHBondContact O-CG2 3.34Å; V43-V47 PolarHBondContact O-N 2.73Å; V43-V47 VanDerWaalsContact O-N 3.08Å; V44-V47 PolarHBondContact O-N 2.75Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 2.94Å; V47-F50 WeakPolarHBondContact O-CB 3.06Å; V47-F50 PolarHBondContact O-N 3.37Å; V47-I51 HydrophobicContact CG1-CD1 4.05Å; V47-I51 WeakPolarHBondContact O-CG1 3.28Å; V47-I51 PolarHBondContact O-N 3.2Å; V47-V65 HydrophobicContact CG1-CG1 4.06Å; V47-V65 HydrophobicContact CG2-CG1 3.81Å; V47-V66 HydrophobicContact CG1-CG2 3.69Å; V47-I69 HydrophobicContact CG2-CD1 4.21Å; V47-F88 HydrophobicContact CB-CE1 4.12Å; V47-F88 HydrophobicContact CB-CZ 4.24Å; V47-F88 HydrophobicContact CG1-CE1 4Å; V47-F88 HydrophobicContact CG1-CZ 4.13Å
48E94.8Very high92.4Very high26 Ų2654.3 Ų54.312%0.12125%0.249CC..Hα-helixtrans-57.1-45.9172.9-68.6166.7165.700111.1V44 Q45 I51 K52 F88V44-E48 VanDerWaalsContact CG1-CD 3.46Å; V44-E48 HydrophobicContact CG1-CG 4.06Å; V44-E48 WeakPolarHBondContact CG1-OE1 3.5Å; V44-E48 WeakPolarHBondContact O-CG 3.37Å; V44-E48 PolarHBondContact O-N 3.09Å; Q45-E48 WeakPolarHBondContact CA-OE2 3.3Å; E48-I51 PolarHBondContact O-N 2.87Å; E48-K52 WeakPolarHBondContact O-CB 3.47Å; E48-K52 PolarHBondContact O-N 3.28Å; E48-F88 HydrophobicContact CG-CD1 4.4Å; E48-F88 HydrophobicContact CG-CE1 4.49Å
49K91.1Very high92.5Very high66 Ų6645.2 Ų45.229%0.28721%0.21SC..Hα-helixtrans-68.1-35.6178.2-169.3174.8-176.61750112.2Q45 V47 K53 W384 L387Q45-K49 WeakPolarHBondContact O-CB 3.44Å; Q45-K49 PolarHBondContact O-N 3.24Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 2.94Å; K49-K53 WeakPolarHBondContact O-CB 3.33Å; K49-K53 PolarHBondContact O-N 2.98Å; K49-W384 HydrophobicContact CD-CZ3 4.28Å; K49-W384 HydrophobicContact CG-CH2 4.15Å; K49-W384 HydrophobicContact CG-CZ3 3.94Å; K49-W384 WeakPolarHBondContact O-CH2 3.42Å; K49-L387 PolarHBondContact NZ-O 3.25Å
50F93.1Very high92.6Very high4 Ų442.8 Ų42.82%0.01820%0.197CC..Hα-helixtrans-60.2-53.7169.2171.3-87000110.4L11 M14 I15 I46 V47 K52 K53 C54 L58L11-F50 HydrophobicContact CB-CD2 4.25Å; L11-F50 HydrophobicContact CD2-CD2 4.32Å; L11-F50 HydrophobicContact CD2-CG 4.43Å; M14-F50 HydrophobicContact CB-CE2 4.23Å; M14-F50 HydrophobicContact CB-CZ 4.33Å; M14-F50 HydrophobicContact CE-CZ 4.17Å; I15-F50 HydrophobicContact CD1-CD2 4.25Å; I15-F50 HydrophobicContact CD1-CE2 4.35Å; I15-F50 HydrophobicContact CG1-CD2 4Å; I15-F50 HydrophobicContact CG1-CE2 3.6Å; I46-F50 WeakPolarHBondContact O-CB 3.37Å; I46-F50 PolarHBondContact O-N 2.86Å; V47-F50 WeakPolarHBondContact O-CB 3.06Å; V47-F50 PolarHBondContact O-N 3.37Å; F50-K52 VanDerWaalsContact C-N 3.3Å; F50-K52 PolarHBondContact O-N 3.42Å; F50-K53 PolarHBondContact O-N 2.91Å; F50-K53 VanDerWaalsContact O-N 3.1Å; F50-C54 HydrophobicContact CD1-CB 4.43Å; F50-C54 HydrophobicContact CE1-CB 4.18Å; F50-C54 HydrophobicContact CE2-CB 4.36Å; F50-C54 HydrophobicContact CZ-CB 4.14Å; F50-C54 VanDerWaalsContact O-CB 3.24Å; F50-C54 WeakPolarHBondContact O-CB 3.38Å; F50-C54 PolarHBondContact O-N 3.27Å; F50-C54 PolarHBondContact O-SG 3Å; F50-C54 VanDerWaalsContact O-SG 3.37Å; F50-L58 HydrophobicContact CZ-CB 4.43Å
51I95Very high92.6Very high1 Ų140.2 Ų40.21%0.00519%0.188CC..Hα-helixtrans-56.9-42.2179.1-72.6167.7000111.6V47 E48 K53 K59 V66 T95 N98 L99V47-I51 HydrophobicContact CG1-CD1 4.05Å; V47-I51 WeakPolarHBondContact O-CG1 3.28Å; V47-I51 PolarHBondContact O-N 3.2Å; E48-I51 PolarHBondContact O-N 2.87Å; I51-K53 PolarHBondContact O-N 2.79Å; I51-K59 PolarHBondContact O-NZ 3.05Å; I51-V66 HydrophobicContact CD1-CG2 3.87Å; I51-T95 HydrophobicContact CD1-CG2 3.76Å; I51-T95 HydrophobicContact CG2-CG2 4.17Å; I51-N98 HydrophobicContact CG2-CB 3.99Å; I51-L99 HydrophobicContact CD1-CD2 4.23Å; I51-L99 HydrophobicContact CG1-CD2 4.2Å; I51-L99 HydrophobicContact CG2-CD2 3.67Å; I51-L99 HydrophobicContact CG2-CG 3.76Å
52K93.1Very high92.5Very high139 Ų13934.3 Ų34.360%0.60416%0.163SC*.Hα-helixtrans-63.9-35.1177.7-179.5158.4-173.4171.50113.5E48 F50 N98E48-K52 WeakPolarHBondContact O-CB 3.47Å; E48-K52 PolarHBondContact O-N 3.28Å; F50-K52 VanDerWaalsContact C-N 3.3Å; F50-K52 PolarHBondContact O-N 3.42Å; K52-N98 WeakPolarHBondContact CG-OD1 3.38Å
53K88.3Confident92.8Very high61 Ų6131.8 Ų31.827%0.26515%0.151SC..Hα-helixtrans-111.5-8-171-78.2-166.1163.1-1600116.4K49 F50 I51 E383 W384 L387K49-K53 WeakPolarHBondContact O-CB 3.33Å; K49-K53 PolarHBondContact O-N 2.98Å; F50-K53 PolarHBondContact O-N 2.91Å; F50-K53 VanDerWaalsContact O-N 3.1Å; I51-K53 PolarHBondContact O-N 2.79Å; K53-E383 IonicContact NZ-OE1 2.71Å; K53-E383 PolarHBondContact NZ-OE1 3.14Å; K53-E383 IonicContact NZ-OE2 3.14Å; K53-E383 PolarHBondContact NZ-OE2 3.36Å; K53-W384 HydrophobicContact CB-CH2 3.89Å; K53-W384 HydrophobicContact CB-CZ2 3.34Å; K53-W384 HydrophobicContact CD-CH2 4.22Å; K53-W384 HydrophobicContact CD-CZ2 3.93Å; K53-W384 HydrophobicContact CG-CZ2 4.25Å; K53-L387 VanDerWaalsContact NZ-CD1 3.32Å
54C88.8Confident92.9Very high11 Ų1136.3 Ų36.37%0.07417%0.169CC..SBendtrans-73.8163.217671.50000111.6F50 L58F50-C54 HydrophobicContact CD1-CB 4.43Å; F50-C54 HydrophobicContact CE1-CB 4.18Å; F50-C54 HydrophobicContact CE2-CB 4.36Å; F50-C54 HydrophobicContact CZ-CB 4.14Å; F50-C54 VanDerWaalsContact O-CB 3.24Å; F50-C54 WeakPolarHBondContact O-CB 3.38Å; F50-C54 PolarHBondContact O-N 3.27Å; F50-C54 PolarHBondContact O-SG 3Å; F50-C54 VanDerWaalsContact O-SG 3.37Å; C54-L58 HydrophobicContact CB-CB 3.79Å; C54-L58 HydrophobicContact CB-CD1 4.23Å
55K89.5Confident92.9Very high107 Ų10736.4 Ų36.447%0.46517%0.169SC..  trans-61.3157.7174.5-68.8-178.3164-1620111.6E57 L58K55-E57 HydrophobicContact CB-CB 4.38Å; K55-E57 WeakPolarHBondContact CD-OE1 3.13Å; K55-E57 IonicContact NZ-OE1 3.38Å; K55-E57 PolarHBondContact NZ-OE1 2.83Å; K55-E57 IonicContact NZ-OE2 3.29Å; K55-E57 PolarHBondContact O-N 2.8Å; K55-L58 HydrophobicContact CB-CD1 4.43Å; K55-L58 PolarHBondContact O-N 3.06Å
56P90.1Very high93.1Very high66 Ų6634 Ų3443%0.42916%0.158SC..G310 helixtrans-50.3-41.4170.6-28.536.8000113.4L58 K59 P103P56-L58 PolarHBondContact O-N 3.24Å; P56-L58 VanDerWaalsContact O-N 3.09Å; P56-K59 WeakPolarHBondContact O-CB 3.3Å; P56-K59 WeakPolarHBondContact O-CG 3.49Å; P56-K59 PolarHBondContact O-N 3.5Å; P56-P103 HydrophobicContact CB-CG 4.33Å
57E89.3Confident93.3Very high81 Ų8134.2 Ų34.238%0.37916%0.16SC..G310 helixtrans-54.4-24.9173.9-58.7161.6-131.800114.5P19 K55P19-E57 HydrophobicContact CG-CB 4.09Å; P19-E57 VanDerWaalsContact CG-O 3.3Å; P19-E57 WeakPolarHBondContact CG-O 3.29Å; K55-E57 HydrophobicContact CB-CB 4.38Å; K55-E57 WeakPolarHBondContact CD-OE1 3.13Å; K55-E57 IonicContact NZ-OE1 3.38Å; K55-E57 PolarHBondContact NZ-OE1 2.83Å; K55-E57 IonicContact NZ-OE2 3.29Å; K55-E57 PolarHBondContact O-N 2.8Å
58L91.1Very high93.4Very high2 Ų235.3 Ų35.31%0.0117%0.168CC..G310 helixtrans-105.34.1-172.9-68.7173.5000113.3P19 I21 F50 C54 K55 P56 P61 G62P19-L58 HydrophobicContact CG-CD2 4.24Å; I21-L58 HydrophobicContact CD1-CD2 4.25Å; F50-L58 HydrophobicContact CZ-CB 4.43Å; C54-L58 HydrophobicContact CB-CB 3.79Å; C54-L58 HydrophobicContact CB-CD1 4.23Å; K55-L58 HydrophobicContact CB-CD1 4.43Å; K55-L58 PolarHBondContact O-N 3.06Å; P56-L58 PolarHBondContact O-N 3.24Å; P56-L58 VanDerWaalsContact O-N 3.09Å; L58-P61 HydrophobicContact CD2-CG 4.45Å; L58-G62 PolarHBondContact O-N 3.5Å
59K94.4Very high93.5Very high11 Ų1134.1 Ų34.15%0.04816%0.162CC..Hα-helixtrans-67.2-52.5178.7-59.4-65-177.1160.90111.5I51 P56 G62 L63 N98 L99 C101 C102I51-K59 PolarHBondContact O-NZ 3.05Å; P56-K59 WeakPolarHBondContact O-CB 3.3Å; P56-K59 WeakPolarHBondContact O-CG 3.49Å; P56-K59 PolarHBondContact O-N 3.5Å; K59-G62 WeakPolarHBondContact O-CA 3.39Å; K59-G62 PolarHBondContact O-N 3.14Å; K59-L63 PolarHBondContact O-N 2.92Å; K59-N98 VanDerWaalsContact CD-O 3.26Å; K59-N98 WeakPolarHBondContact CD-O 3.37Å; K59-N98 VanDerWaalsContact CE-O 3.28Å; K59-N98 WeakPolarHBondContact CE-O 3.39Å; K59-N98 PolarHBondContact NZ-O 3.32Å; K59-L99 HydrophobicContact CB-CD2 4.14Å; K59-L99 WeakPolarHBondContact O-CD2 3.4Å; K59-C101 WeakPolarHBondContact CE-O 3.21Å; K59-C102 HydrophobicContact CB-CB 3.83Å; K59-C102 HydrophobicContact CG-CB 4.01Å
60V94.6Very high93.8Very high5 Ų531 Ų313%0.0315%0.148CC..Hα-helixtrans-60.4-45.5177170.90000112G62 L63 Y64 D106 K109 I110V60-G62 VanDerWaalsContact C-N 3.29Å; V60-G62 PolarHBondContact O-N 3.17Å; V60-L63 PolarHBondContact O-N 3.31Å; V60-Y64 HydrophobicContact CG1-CD1 4.41Å; V60-Y64 HydrophobicContact CG1-CD2 4.31Å; V60-Y64 HydrophobicContact CG1-CE1 3.8Å; V60-Y64 HydrophobicContact CG1-CE2 3.69Å; V60-Y64 PolarHBondContact O-N 3.23Å; V60-D106 HydrophobicContact CG2-CB 3.66Å; V60-K109 HydrophobicContact CG1-CB 3.98Å; V60-K109 HydrophobicContact CG1-CD 4.38Å; V60-K109 HydrophobicContact CG2-CB 4.09Å; V60-I110 HydrophobicContact CG2-CG1 3.99Å
61P93.8Very high94Very high11 Ų1133.7 Ų33.77%0.07116%0.158CC..Hα-helixtrans-56.1-35.9168.1-29.635.7000115.1M14 I21 L58 Y64 V65M14-P61 HydrophobicContact CE-CB 4.25Å; I21-P61 HydrophobicContact CG1-CB 3.74Å; I21-P61 HydrophobicContact CG1-CG 3.95Å; L58-P61 HydrophobicContact CD2-CG 4.45Å; P61-Y64 PolarHBondContact O-N 3.36Å; P61-V65 PolarHBondContact O-N 3.09Å
62G94.6Very high94Very high0 Ų035.6 Ų35.60%017%0.167CC..Hα-helixtrans-65.4-42.417400000112.9L58 K59 V60 Y64 V65 V66L58-G62 PolarHBondContact O-N 3.5Å; K59-G62 WeakPolarHBondContact O-CA 3.39Å; K59-G62 PolarHBondContact O-N 3.14Å; V60-G62 VanDerWaalsContact C-N 3.29Å; V60-G62 PolarHBondContact O-N 3.17Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; G62-V65 WeakPolarHBondContact O-CB 3.43Å; G62-V65 PolarHBondContact O-N 2.97Å; G62-V66 PolarHBondContact O-N 3.24Å
63L96.7Very high94.1Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-62.9-39172.8176.559000112.1K59 V60 V65 V66 D67 F96 L99 I110 V113 W117K59-L63 PolarHBondContact O-N 2.92Å; V60-L63 PolarHBondContact O-N 3.31Å; L63-V65 VanDerWaalsContact C-N 3.27Å; L63-V65 PolarHBondContact O-N 3.25Å; L63-V66 WeakPolarHBondContact O-CB 3.46Å; L63-V66 PolarHBondContact O-N 2.93Å; L63-V66 VanDerWaalsContact O-N 3.07Å; L63-D67 PolarHBondContact O-N 2.87Å; L63-F96 HydrophobicContact CD1-CE1 4.4Å; L63-F96 HydrophobicContact CD1-CE2 4.45Å; L63-F96 HydrophobicContact CD1-CZ 3.74Å; L63-L99 HydrophobicContact CB-CD1 4.03Å; L63-L99 HydrophobicContact CB-CD2 3.94Å; L63-L99 HydrophobicContact CD1-CD1 3.92Å; L63-L99 HydrophobicContact CD2-CD1 4.42Å; L63-L99 HydrophobicContact CG-CD1 4.35Å; L63-I110 HydrophobicContact CD2-CB 4.04Å; L63-I110 HydrophobicContact CD2-CG1 3.97Å; L63-I110 HydrophobicContact CD2-CG2 3.83Å; L63-V113 HydrophobicContact CD1-CG1 4.11Å; L63-V113 HydrophobicContact CD2-CB 3.91Å; L63-V113 HydrophobicContact CD2-CG1 4.15Å; L63-V113 HydrophobicContact CD2-CG2 4.04Å; L63-V113 HydrophobicContact CG-CB 4.3Å; L63-V113 HydrophobicContact CG-CG1 4.04Å; L63-V113 HydrophobicContact CG-CG2 4.32Å; L63-W117 HydrophobicContact CD1-CH2 3.45Å; L63-W117 VanDerWaalsContact CD1-CH2 3.45Å; L63-W117 HydrophobicContact CD1-CZ2 3.97Å; L63-W117 HydrophobicContact CD1-CZ3 4.21Å
64Y96.1Very high94.5Very high95 Ų9528.2 Ų28.237%0.37313%0.134SC..Hα-helixtrans-64.2-29.4174.9-65.1-15.4000113V60 P61 G62 S68 V113V60-Y64 HydrophobicContact CG1-CD1 4.41Å; V60-Y64 HydrophobicContact CG1-CD2 4.31Å; V60-Y64 HydrophobicContact CG1-CE1 3.8Å; V60-Y64 HydrophobicContact CG1-CE2 3.69Å; V60-Y64 PolarHBondContact O-N 3.23Å; P61-Y64 PolarHBondContact O-N 3.36Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-S68 WeakPolarHBondContact O-CB 3.49Å; Y64-S68 PolarHBondContact O-N 3.43Å; Y64-S68 PolarHBondContact O-OG 3.5Å; Y64-V113 HydrophobicContact CD1-CG2 3.99Å; Y64-V113 HydrophobicContact CE1-CG2 3.67Å
65V96.3Very high94.7Very high1 Ų132.2 Ų32.21%0.00615%0.151CC..Hα-helixtrans-68.1-36.8170.4171.50000111.5L11 M14 M26 V29 V47 P61 G62 L63 S68 I69L11-V65 HydrophobicContact CD2-CG1 4.44Å; L11-V65 HydrophobicContact CD2-CG2 4.32Å; M14-V65 HydrophobicContact CE-CG2 3.84Å; M14-V65 HydrophobicContact SD-CG2 4.21Å; M26-V65 HydrophobicContact CE-CG2 4.17Å; M26-V65 HydrophobicContact SD-CB 4.28Å; M26-V65 HydrophobicContact SD-CG2 3.47Å; M26-V65 WeakPolarHBondContact SD-CG2 3.42Å; V29-V65 HydrophobicContact CG1-CG1 3.73Å; V29-V65 HydrophobicContact CG1-CG2 4.17Å; V47-V65 HydrophobicContact CG1-CG1 4.06Å; V47-V65 HydrophobicContact CG2-CG1 3.81Å; P61-V65 PolarHBondContact O-N 3.09Å; G62-V65 WeakPolarHBondContact O-CB 3.43Å; G62-V65 PolarHBondContact O-N 2.97Å; L63-V65 VanDerWaalsContact C-N 3.27Å; L63-V65 PolarHBondContact O-N 3.25Å; V65-S68 PolarHBondContact O-OG 3.48Å; V65-I69 HydrophobicContact CG1-CD1 3.61Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 WeakPolarHBondContact O-CB 3.34Å; V65-I69 WeakPolarHBondContact O-CD1 3.5Å; V65-I69 WeakPolarHBondContact O-CG1 3.4Å; V65-I69 PolarHBondContact O-N 3.43Å; V65-I69 VanDerWaalsContact O-N 3.13Å
66V97.3Very high94.9Very high3 Ų332.2 Ų32.22%0.01815%0.153CC..Hα-helixtrans-65.9-49.4174.5179.40000110.3V47 I51 G62 L63 S68 I69 V70 F88 W117V47-V66 HydrophobicContact CG1-CG2 3.69Å; I51-V66 HydrophobicContact CD1-CG2 3.87Å; G62-V66 PolarHBondContact O-N 3.24Å; L63-V66 WeakPolarHBondContact O-CB 3.46Å; L63-V66 PolarHBondContact O-N 2.93Å; L63-V66 VanDerWaalsContact O-N 3.07Å; V66-S68 PolarHBondContact O-N 3.26Å; V66-I69 PolarHBondContact O-N 3.21Å; V66-V70 HydrophobicContact CG1-CG2 4.38Å; V66-V70 WeakPolarHBondContact O-CB 3.12Å; V66-V70 WeakPolarHBondContact O-CG2 3.24Å; V66-V70 PolarHBondContact O-N 3.26Å; V66-F88 HydrophobicContact CB-CZ 4.37Å; V66-F88 HydrophobicContact CG1-CD1 4.2Å; V66-F88 HydrophobicContact CG1-CD2 3.93Å; V66-F88 HydrophobicContact CG1-CE1 4.24Å; V66-F88 HydrophobicContact CG1-CE2 3.96Å; V66-F88 HydrophobicContact CG1-CG 4.05Å; V66-F88 HydrophobicContact CG1-CZ 4.13Å; V66-F88 HydrophobicContact CG2-CD1 4.34Å; V66-F88 HydrophobicContact CG2-CE1 3.82Å; V66-F88 HydrophobicContact CG2-CZ 3.97Å; V66-W117 HydrophobicContact CG1-CH2 4.02Å; V66-W117 HydrophobicContact CG1-CZ2 4.19Å
67D97.1Very high95Very high29 Ų2932.6 Ų32.616%0.15515%0.148CC..Hα-helixtrans-56.3-50.3177.2178.785.6000111.8L63 I69 V70 R71 V113 W117L63-D67 PolarHBondContact O-N 2.87Å; D67-I69 PolarHBondContact O-N 3.11Å; D67-V70 PolarHBondContact O-N 3.03Å; D67-R71 VanDerWaalsContact CG-NE 3.29Å; D67-R71 WeakPolarHBondContact O-CB 3.4Å; D67-R71 WeakPolarHBondContact O-CG 3.43Å; D67-R71 PolarHBondContact O-N 3.05Å; D67-R71 IonicContact OD1-CZ 2.92Å; D67-R71 VanDerWaalsContact OD1-CZ 3.29Å; D67-R71 IonicContact OD1-NE 2.64Å; D67-R71 PolarHBondContact OD1-NE 3.26Å; D67-R71 IonicContact OD1-NH2 2.69Å; D67-R71 PolarHBondContact OD1-NH2 3.39Å; D67-R71 IonicContact OD2-NE 2.59Å; D67-R71 PolarHBondContact OD2-NE 3.08Å; D67-R71 VanDerWaalsContact OD2-NE 3.14Å; D67-V113 HydrophobicContact CB-CG1 4.4Å; D67-W117 HydrophobicContact CB-CZ2 4.03Å; D67-W117 PolarHBondContact OD1-NE1 3.26Å
68S96.8Very high95.1Very high23 Ų2330.3 Ų30.316%0.16115%0.146CC..Hα-helixtrans-66.5-38.4-176.4730000112.6T30 Y64 V65 V66 Q72T30-S68 WeakPolarHBondContact CG2-O 3.25Å; T30-S68 WeakPolarHBondContact OG1-CB 3.43Å; T30-S68 PolarHBondContact OG1-OG 3.26Å; Y64-S68 WeakPolarHBondContact O-CB 3.49Å; Y64-S68 PolarHBondContact O-N 3.43Å; Y64-S68 PolarHBondContact O-OG 3.5Å; V65-S68 PolarHBondContact O-OG 3.48Å; V66-S68 PolarHBondContact O-N 3.26Å; S68-Q72 WeakPolarHBondContact O-CB 3.48Å; S68-Q72 PolarHBondContact O-N 3.03Å
69I97.1Very high95.2Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-67.7-47.1176.8-68.7170.9000111.1T30 A33 V47 V65 V66 D67 Q72 S73 F84 F88T30-I69 HydrophobicContact CG2-CG1 4.49Å; A33-I69 HydrophobicContact CB-CD1 3.5Å; A33-I69 VanDerWaalsContact CB-CD1 3.5Å; A33-I69 HydrophobicContact CB-CG1 3.68Å; A33-I69 HydrophobicContact CB-CG2 4.37Å; V47-I69 HydrophobicContact CG2-CD1 4.21Å; V65-I69 HydrophobicContact CG1-CD1 3.61Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 WeakPolarHBondContact O-CB 3.34Å; V65-I69 WeakPolarHBondContact O-CD1 3.5Å; V65-I69 WeakPolarHBondContact O-CG1 3.4Å; V65-I69 PolarHBondContact O-N 3.43Å; V65-I69 VanDerWaalsContact O-N 3.13Å; V66-I69 PolarHBondContact O-N 3.21Å; D67-I69 PolarHBondContact O-N 3.11Å; I69-Q72 PolarHBondContact O-N 3.04Å; I69-S73 WeakPolarHBondContact O-CB 3.49Å; I69-S73 PolarHBondContact O-N 3.16Å; I69-F84 HydrophobicContact CG2-CB 3.97Å; I69-F84 HydrophobicContact CG2-CD1 3.37Å; I69-F84 HydrophobicContact CG2-CD2 4.13Å; I69-F84 HydrophobicContact CG2-CE1 3.78Å; I69-F84 HydrophobicContact CG2-CE2 4.47Å; I69-F84 HydrophobicContact CG2-CG 3.56Å; I69-F84 HydrophobicContact CG2-CZ 4.31Å; I69-F88 HydrophobicContact CG2-CE2 4.44Å
70V97.4Very high95Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-67.1-45.8-178.1174.60000111.1V66 D67 Q72 S73 R74 F84 F88 V122 F123V66-V70 HydrophobicContact CG1-CG2 4.38Å; V66-V70 WeakPolarHBondContact O-CB 3.12Å; V66-V70 WeakPolarHBondContact O-CG2 3.24Å; V66-V70 PolarHBondContact O-N 3.26Å; D67-V70 PolarHBondContact O-N 3.03Å; V70-Q72 PolarHBondContact O-N 3.32Å; V70-S73 PolarHBondContact O-N 2.98Å; V70-R74 WeakPolarHBondContact O-CG 3.48Å; V70-R74 PolarHBondContact O-N 3.25Å; V70-F84 HydrophobicContact CG2-CB 4.35Å; V70-F88 HydrophobicContact CG2-CD2 3.69Å; V70-F88 HydrophobicContact CG2-CE2 3.95Å; V70-V122 HydrophobicContact CG1-CG1 3.76Å; V70-F123 HydrophobicContact CG1-CZ 4.06Å; V70-F123 HydrophobicContact CG2-CZ 4.43Å
71R95.7Very high94.9Very high61 Ų6148.5 Ų48.523%0.2324%0.235CC..Hα-helixtrans-61.2-46175.3-70.6-173.4-164.7-90.5-9.5111.8D67 S73 R74 H75 L116 W117D67-R71 VanDerWaalsContact CG-NE 3.29Å; D67-R71 WeakPolarHBondContact O-CB 3.4Å; D67-R71 WeakPolarHBondContact O-CG 3.43Å; D67-R71 PolarHBondContact O-N 3.05Å; D67-R71 IonicContact OD1-CZ 2.92Å; D67-R71 VanDerWaalsContact OD1-CZ 3.29Å; D67-R71 IonicContact OD1-NE 2.64Å; D67-R71 PolarHBondContact OD1-NE 3.26Å; D67-R71 IonicContact OD1-NH2 2.69Å; D67-R71 PolarHBondContact OD1-NH2 3.39Å; D67-R71 IonicContact OD2-NE 2.59Å; D67-R71 PolarHBondContact OD2-NE 3.08Å; D67-R71 VanDerWaalsContact OD2-NE 3.14Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.27Å; R71-R74 PolarHBondContact O-N 2.94Å; R71-H75 WeakPolarHBondContact O-CB 3.49Å; R71-H75 PolarHBondContact O-N 3.45Å; R71-L116 PolarHBondContact NH2-O 3.41Å; R71-W117 VanDerWaalsContact NH2-CD1 3.34Å
72Q95.4Very high95Very high41 Ų4148.4 Ų48.419%0.19223%0.233CC..Hα-helixtrans-66.3-37-178.2-172.263.880.200112.5T30 I34 S68 I69 V70 Q76 Y258T30-Q72 HydrophobicContact CG2-CB 3.69Å; T30-Q72 HydrophobicContact CG2-CG 3.93Å; I34-Q72 HydrophobicContact CD1-CB 4.08Å; I34-Q72 HydrophobicContact CD1-CG 3.97Å; I34-Q72 HydrophobicContact CG1-CB 4.18Å; I34-Q72 HydrophobicContact CG1-CG 3.74Å; S68-Q72 WeakPolarHBondContact O-CB 3.48Å; S68-Q72 PolarHBondContact O-N 3.03Å; I69-Q72 PolarHBondContact O-N 3.04Å; V70-Q72 PolarHBondContact O-N 3.32Å; Q72-Q76 WeakPolarHBondContact O-CB 3.46Å; Q72-Q76 PolarHBondContact O-N 3.04Å; Q72-Y258 VanDerWaalsContact CD-OH 3.26Å; Q72-Y258 PolarHBondContact NE2-OH 2.78Å; Q72-Y258 PolarHBondContact OE1-OH 3.07Å
73S96.3Very high95.1Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-59-53.4172.7178.70000111.2I69 V70 R71 H75 Q76 F77 D82 F84I69-S73 WeakPolarHBondContact O-CB 3.49Å; I69-S73 PolarHBondContact O-N 3.16Å; V70-S73 PolarHBondContact O-N 2.98Å; R71-S73 VanDerWaalsContact C-N 3.34Å; R71-S73 PolarHBondContact O-N 3.27Å; S73-H75 VanDerWaalsContact C-N 3.33Å; S73-H75 PolarHBondContact O-N 3.35Å; S73-Q76 PolarHBondContact O-N 2.72Å; S73-F77 VanDerWaalsContact O-CD2 3.28Å; S73-F77 WeakPolarHBondContact O-CD2 3.07Å; S73-F77 PolarHBondContact O-N 2.84Å; S73-D82 VanDerWaalsContact CB-OD1 3.25Å; S73-D82 WeakPolarHBondContact CB-OD1 3.42Å; S73-D82 PolarHBondContact OG-OD1 3.47Å; S73-F84 WeakPolarHBondContact OG-CD2 3.36Å
74R95.4Very high95.1Very high45 Ų4550.6 Ų50.617%0.1725%0.247CC..Hα-helixtrans-63.9-35.1178.9-69.7-178.9177.2-15511.3113.6V70 R71 G78 V79 D82 G121 V122V70-R74 WeakPolarHBondContact O-CG 3.48Å; V70-R74 PolarHBondContact O-N 3.25Å; R71-R74 PolarHBondContact O-N 2.94Å; R74-G78 CarbonylContact O-C 3.55Å; R74-G78 WeakPolarHBondContact O-CA 3.28Å; R74-G78 PolarHBondContact O-N 3.21Å; R74-V79 HydrophobicContact CB-CG2 4.48Å; R74-V79 HydrophobicContact CG-CG2 4.47Å; R74-D82 HydrophobicContact CG-CB 3.58Å; R74-D82 WeakPolarHBondContact CG-OD2 3.44Å; R74-D82 IonicContact CZ-OD2 2.75Å; R74-D82 IonicContact NE-OD2 3.76Å; R74-D82 PolarHBondContact NE-OD2 3.48Å; R74-D82 IonicContact NH2-OD2 2.73Å; R74-G121 PolarHBondContact NH1-O 3.23Å; R74-V122 PolarHBondContact NH1-O 3.45Å; R74-V122 PolarHBondContact NH2-O 2.92Å
75H93.9Very high95.1Very high96 Ų9646.1 Ų46.144%0.44423%0.229SC..Hα-helixtrans-68.4-43.6175.5-169.1-81.5000112.1R71 S73R71-H75 WeakPolarHBondContact O-CB 3.49Å; R71-H75 PolarHBondContact O-N 3.45Å; S73-H75 VanDerWaalsContact C-N 3.33Å; S73-H75 PolarHBondContact O-N 3.35Å
76Q92.8Very high95.1Very high106 Ų10649.4 Ų49.450%0.49525%0.251SS..Hα-helixtrans-82.1-31.7-174.7-171.51711900113.8Q72 S73Q72-Q76 WeakPolarHBondContact O-CB 3.46Å; Q72-Q76 PolarHBondContact O-N 3.04Å; S73-Q76 PolarHBondContact O-N 2.72Å
77F93.1Very high95.1Very high74 Ų7452.2 Ų52.233%0.32526%0.261SS..Hα-helixtrans-115.6-9.7-173.8-51.1-66.9000113.8I34 I37 S73 K81I34-F77 HydrophobicContact CD1-CE2 4.43Å; I34-F77 HydrophobicContact CG2-CE2 4.28Å; I34-F77 HydrophobicContact CG2-CZ 4.34Å; I37-F77 HydrophobicContact CD1-CD2 3.64Å; I37-F77 HydrophobicContact CD1-CE1 4.45Å; I37-F77 HydrophobicContact CD1-CE2 3.41Å; I37-F77 VanDerWaalsContact CD1-CE2 3.41Å; I37-F77 HydrophobicContact CD1-CG 4.29Å; I37-F77 HydrophobicContact CD1-CZ 3.86Å; S73-F77 VanDerWaalsContact O-CD2 3.28Å; S73-F77 WeakPolarHBondContact O-CD2 3.07Å; S73-F77 PolarHBondContact O-N 2.84Å; F77-K81 HydrophobicContact CB-CB 3.75Å; F77-K81 VanDerWaalsContact O-CB 3.28Å; F77-K81 WeakPolarHBondContact O-CB 3.46Å; F77-K81 VanDerWaalsContact O-CG 3.24Å; F77-K81 WeakPolarHBondContact O-CG 3.48Å
78G92.1Very high95.1Very high33 Ų3350.9 Ų50.934%0.3425%0.254SS..  trans83.4159.2-168.900000112.5R74 E80 K81 D82R74-G78 CarbonylContact O-C 3.55Å; R74-G78 WeakPolarHBondContact O-CA 3.28Å; R74-G78 PolarHBondContact O-N 3.21Å; G78-E80 PolarHBondContact O-N 2.92Å; G78-K81 PolarHBondContact O-N 3.15Å; G78-D82 PolarHBondContact O-N 2.94Å
79V91.5Very high95.1Very high89 Ų8952.6 Ų52.654%0.53926%0.261SS..G310 helixtrans-60.2-44.4-177.5-175.70000111.6R74 K81 D82R74-V79 HydrophobicContact CB-CG2 4.48Å; R74-V79 HydrophobicContact CG-CG2 4.47Å; V79-K81 PolarHBondContact O-N 2.79Å; V79-D82 WeakPolarHBondContact O-CB 3.13Å; V79-D82 PolarHBondContact O-N 2.99Å; V79-D82 VanDerWaalsContact O-N 3.11Å
80E91.2Very high95Very high172 Ų17259.9 Ų59.980%0.80429%0.293SS*.G310 helixtrans-61.9-10.8178.3-61.5-56.4141.300115.2G78G78-E80 PolarHBondContact O-N 2.92Å
81K92.9Very high94.9Very high140 Ų14062.9 Ų62.961%0.60931%0.309SS*.G310 helixtrans-118.62179.6-52.2-60.5173.9-159.30112.9F77 G78 V79 V83F77-K81 HydrophobicContact CB-CB 3.75Å; F77-K81 VanDerWaalsContact O-CB 3.28Å; F77-K81 WeakPolarHBondContact O-CB 3.46Å; F77-K81 VanDerWaalsContact O-CG 3.24Å; F77-K81 WeakPolarHBondContact O-CG 3.48Å; G78-K81 PolarHBondContact O-N 3.15Å; V79-K81 PolarHBondContact O-N 2.79Å; K81-V83 PolarHBondContact O-N 3.43Å; K81-V83 VanDerWaalsContact O-N 3.08Å
82D95.3Very high94.8Very high8 Ų860.3 Ų60.34%0.04330%0.299CS..  trans-69.2105.6176.5175.127000110.7S73 R74 G78 V79 F84 G85 P86S73-D82 VanDerWaalsContact CB-OD1 3.25Å; S73-D82 WeakPolarHBondContact CB-OD1 3.42Å; S73-D82 PolarHBondContact OG-OD1 3.47Å; R74-D82 HydrophobicContact CG-CB 3.58Å; R74-D82 WeakPolarHBondContact CG-OD2 3.44Å; R74-D82 IonicContact CZ-OD2 2.75Å; R74-D82 IonicContact NE-OD2 3.76Å; R74-D82 PolarHBondContact NE-OD2 3.48Å; R74-D82 IonicContact NH2-OD2 2.73Å; G78-D82 PolarHBondContact O-N 2.94Å; V79-D82 WeakPolarHBondContact O-CB 3.13Å; V79-D82 PolarHBondContact O-N 2.99Å; V79-D82 VanDerWaalsContact O-N 3.11Å; D82-F84 WeakPolarHBondContact OD1-CA 3.29Å; D82-F84 WeakPolarHBondContact OD1-CB 3.39Å; D82-F84 PolarHBondContact OD1-N 3.01Å; D82-G85 PolarHBondContact OD1-N 2.8Å; D82-G85 VanDerWaalsContact OD1-N 3.16Å; D82-G85 WeakPolarHBondContact OD2-CA 3.38Å; D82-G85 PolarHBondContact OD2-N 3.37Å; D82-G85 VanDerWaalsContact OD2-N 3.08Å; D82-P86 WeakPolarHBondContact O-CD 3.19Å; D82-P86 WeakPolarHBondContact O-CG 3.22Å
83V96.5Very high94.8Very high47 Ų4761.5 Ų61.529%0.28531%0.31SS..SBendtrans-84.5-10.2174.5-61.60000113.2I37 Y40 K81 R87I37-V83 HydrophobicContact CD1-CG2 3.93Å; I37-V83 HydrophobicContact CG1-CG2 3.58Å; Y40-V83 HydrophobicContact CD1-CB 3.97Å; Y40-V83 HydrophobicContact CD1-CG2 3.8Å; Y40-V83 HydrophobicContact CD2-CB 3.89Å; Y40-V83 HydrophobicContact CD2-CG2 4.06Å; Y40-V83 WeakPolarHBondContact CD2-O 3.49Å; Y40-V83 HydrophobicContact CE1-CB 4.2Å; Y40-V83 HydrophobicContact CE1-CG1 4.49Å; Y40-V83 HydrophobicContact CE1-CG2 4.5Å; Y40-V83 HydrophobicContact CE2-CB 4.14Å; Y40-V83 HydrophobicContact CG-CB 3.81Å; Y40-V83 HydrophobicContact CG-CG2 3.54Å; K81-V83 PolarHBondContact O-N 3.43Å; K81-V83 VanDerWaalsContact O-N 3.08Å; V83-R87 WeakPolarHBondContact O-CB 3.36Å
84F97.8Very high94.7Very high0 Ų065 Ų650%033%0.328CS..SBendtrans-88.5-51-175.4-70.3-87.2000111.7I34 I37 V43 V44 I69 V70 S73 D82 R87 F88I34-F84 HydrophobicContact CD1-CE2 4.36Å; I37-F84 HydrophobicContact CB-CE2 4.18Å; I37-F84 HydrophobicContact CB-CZ 4.46Å; I37-F84 HydrophobicContact CD1-CE2 4.22Å; I37-F84 HydrophobicContact CG1-CE2 3.9Å; V43-F84 HydrophobicContact CB-CE1 3.92Å; V43-F84 HydrophobicContact CG1-CE1 3.81Å; V43-F84 HydrophobicContact CG2-CE1 4.45Å; V44-F84 HydrophobicContact CG2-CD1 3.91Å; I69-F84 HydrophobicContact CG2-CB 3.97Å; I69-F84 HydrophobicContact CG2-CD1 3.37Å; I69-F84 HydrophobicContact CG2-CD2 4.13Å; I69-F84 HydrophobicContact CG2-CE1 3.78Å; I69-F84 HydrophobicContact CG2-CE2 4.47Å; I69-F84 HydrophobicContact CG2-CG 3.56Å; I69-F84 HydrophobicContact CG2-CZ 4.31Å; V70-F84 HydrophobicContact CG2-CB 4.35Å; S73-F84 WeakPolarHBondContact OG-CD2 3.36Å; D82-F84 WeakPolarHBondContact OD1-CA 3.29Å; D82-F84 WeakPolarHBondContact OD1-CB 3.39Å; D82-F84 PolarHBondContact OD1-N 3.01Å; F84-R87 PolarHBondContact O-N 2.92Å; F84-R87 VanDerWaalsContact O-N 3.09Å; F84-F88 HydrophobicContact CB-CD2 4.46Å; F84-F88 HydrophobicContact CB-CE2 4.36Å; F84-F88 VanDerWaalsContact O-CD2 3.25Å; F84-F88 WeakPolarHBondContact O-CD2 3.37Å; F84-F88 PolarHBondContact O-N 3.1Å
85G96Very high94.7Very high0 Ų063.2 Ų63.20%032%0.322CS..Hα-helixtrans-53-61.1178.500000112.5D82 R87 F88 L89D82-G85 PolarHBondContact OD1-N 2.8Å; D82-G85 VanDerWaalsContact OD1-N 3.16Å; D82-G85 WeakPolarHBondContact OD2-CA 3.38Å; D82-G85 PolarHBondContact OD2-N 3.37Å; D82-G85 VanDerWaalsContact OD2-N 3.08Å; G85-R87 PolarHBondContact O-N 3.45Å; G85-F88 PolarHBondContact O-N 3.19Å; G85-F88 VanDerWaalsContact O-N 3.14Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 3.31Å
86P96.2Very high94.8Very high71 Ų7158.7 Ų58.746%0.46130%0.301SS..Hα-helixtrans-59.5-17.6177-24.735.4000115.1D82D82-P86 WeakPolarHBondContact O-CD 3.19Å; D82-P86 WeakPolarHBondContact O-CG 3.22Å
87R97Very high94.9Very high62 Ų6260.4 Ų60.423%0.23430%0.303CS..Hα-helixtrans-86.6-39.9175.1176.358.6-144.5176.613.1112.3Y40 V44 V83 F84 G85 L89 K90Y40-R87 HydrophobicContact CD2-CB 3.91Å; Y40-R87 HydrophobicContact CD2-CG 3.93Å; Y40-R87 HydrophobicContact CE2-CB 3.93Å; Y40-R87 HydrophobicContact CE2-CG 4.01Å; V44-R87 HydrophobicContact CB-CG 3.8Å; V44-R87 HydrophobicContact CG1-CG 3.82Å; V44-R87 HydrophobicContact CG2-CB 4.15Å; V44-R87 HydrophobicContact CG2-CG 3.72Å; V83-R87 WeakPolarHBondContact O-CB 3.36Å; F84-R87 PolarHBondContact O-N 2.92Å; F84-R87 VanDerWaalsContact O-N 3.09Å; G85-R87 PolarHBondContact O-N 3.45Å; R87-L89 VanDerWaalsContact C-N 3.28Å; R87-L89 PolarHBondContact O-N 2.91Å; R87-K90 PolarHBondContact O-N 3.32Å
88F97.4Very high94.9Very high0 Ų058.7 Ų58.70%030%0.298CS..Hα-helixtrans-63.2-34.8171-78-65.9000111.7V44 V47 E48 V66 I69 V70 F84 G85 K90 N91 F92V44-F88 HydrophobicContact CB-CD1 4.31Å; V44-F88 HydrophobicContact CB-CE1 4.08Å; V44-F88 HydrophobicContact CB-CZ 4.3Å; V44-F88 HydrophobicContact CG1-CD1 3.46Å; V44-F88 VanDerWaalsContact CG1-CD1 3.46Å; V44-F88 HydrophobicContact CG1-CE1 3.63Å; V44-F88 HydrophobicContact CG1-CG 3.99Å; V44-F88 HydrophobicContact CG1-CZ 4.3Å; V44-F88 HydrophobicContact CG2-CD1 4.24Å; V44-F88 HydrophobicContact CG2-CD2 4.01Å; V44-F88 HydrophobicContact CG2-CE1 4.04Å; V44-F88 HydrophobicContact CG2-CE2 3.81Å; V44-F88 HydrophobicContact CG2-CG 4.22Å; V44-F88 HydrophobicContact CG2-CZ 3.82Å; V47-F88 HydrophobicContact CB-CE1 4.12Å; V47-F88 HydrophobicContact CB-CZ 4.24Å; V47-F88 HydrophobicContact CG1-CE1 4Å; V47-F88 HydrophobicContact CG1-CZ 4.13Å; E48-F88 HydrophobicContact CG-CD1 4.4Å; E48-F88 HydrophobicContact CG-CE1 4.49Å; V66-F88 HydrophobicContact CB-CZ 4.37Å; V66-F88 HydrophobicContact CG1-CD1 4.2Å; V66-F88 HydrophobicContact CG1-CD2 3.93Å; V66-F88 HydrophobicContact CG1-CE1 4.24Å; V66-F88 HydrophobicContact CG1-CE2 3.96Å; V66-F88 HydrophobicContact CG1-CG 4.05Å; V66-F88 HydrophobicContact CG1-CZ 4.13Å; V66-F88 HydrophobicContact CG2-CD1 4.34Å; V66-F88 HydrophobicContact CG2-CE1 3.82Å; V66-F88 HydrophobicContact CG2-CZ 3.97Å; I69-F88 HydrophobicContact CG2-CE2 4.44Å; V70-F88 HydrophobicContact CG2-CD2 3.69Å; V70-F88 HydrophobicContact CG2-CE2 3.95Å; F84-F88 HydrophobicContact CB-CD2 4.46Å; F84-F88 HydrophobicContact CB-CE2 4.36Å; F84-F88 VanDerWaalsContact O-CD2 3.25Å; F84-F88 WeakPolarHBondContact O-CD2 3.37Å; F84-F88 PolarHBondContact O-N 3.1Å; G85-F88 PolarHBondContact O-N 3.19Å; G85-F88 VanDerWaalsContact O-N 3.14Å; F88-K90 PolarHBondContact O-N 2.89Å; F88-K90 VanDerWaalsContact O-N 3.11Å; F88-N91 PolarHBondContact O-N 3.44Å; F88-F92 HydrophobicContact CB-CD2 4.16Å; F88-F92 HydrophobicContact CB-CE2 4.15Å; F88-F92 PolarHBondContact O-N 2.6Å
89L96Very high95.1Very high60 Ų6057.2 Ų57.231%0.31428%0.282SS..G310 helixtrans-55.3-29.3177.3-71.7-175.5000113.8G85 R87 N91 F92 F123 I127G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 3.31Å; R87-L89 VanDerWaalsContact C-N 3.28Å; R87-L89 PolarHBondContact O-N 2.91Å; L89-N91 PolarHBondContact O-N 3.24Å; L89-F92 HydrophobicContact CD2-CD1 3.67Å; L89-F92 HydrophobicContact CD2-CD2 4.5Å; L89-F92 HydrophobicContact CD2-CE1 3.81Å; L89-F92 HydrophobicContact CD2-CG 4.05Å; L89-F92 HydrophobicContact CD2-CZ 4.3Å; L89-F92 PolarHBondContact O-N 2.88Å; L89-F123 HydrophobicContact CD1-CD1 4.19Å; L89-F123 HydrophobicContact CD1-CE1 4.27Å; L89-F123 HydrophobicContact CD2-CD1 3.65Å; L89-F123 HydrophobicContact CD2-CE1 3.7Å; L89-F123 HydrophobicContact CD2-CG 4.45Å; L89-F123 HydrophobicContact CG-CD1 4.14Å; L89-F123 HydrophobicContact CG-CE1 3.9Å; L89-I127 HydrophobicContact CD1-CD1 3.88Å; L89-I127 HydrophobicContact CD2-CD1 4.16Å; L89-I127 HydrophobicContact CD2-CG2 3.52Å
90K95.6Very high95.3Very high153 Ų15354.1 Ų54.167%0.66526%0.261SS*.G310 helixtrans-67-20.5-177.9-60.4-150.3173.4-146.20114.6R87 F88R87-K90 PolarHBondContact O-N 3.32Å; F88-K90 PolarHBondContact O-N 2.89Å; F88-K90 VanDerWaalsContact O-N 3.11Å
91N94.6Very high95.3Very high62 Ų6249.8 Ų49.833%0.33225%0.248SC..G310 helixtrans-135.827.1-179.6-70.6102.5000111.1F88 L89 D94 T95F88-N91 PolarHBondContact O-N 3.44Å; L89-N91 PolarHBondContact O-N 3.24Å; N91-D94 PolarHBondContact O-N 3.42Å; N91-T95 WeakPolarHBondContact O-CB 3.26Å; N91-T95 PolarHBondContact O-N 3.08Å; N91-T95 PolarHBondContact O-OG1 3.16Å
92F94.3Very high95.2Very high8 Ų843.8 Ų43.84%0.03522%0.224CC..Hα-helixtrans-67-48.5-169.7-139.5-143.2000112.2F88 L89 D94 T95 F96 W117 F123 I127 L131F88-F92 HydrophobicContact CB-CD2 4.16Å; F88-F92 HydrophobicContact CB-CE2 4.15Å; F88-F92 PolarHBondContact O-N 2.6Å; L89-F92 HydrophobicContact CD2-CD1 3.67Å; L89-F92 HydrophobicContact CD2-CD2 4.5Å; L89-F92 HydrophobicContact CD2-CE1 3.81Å; L89-F92 HydrophobicContact CD2-CG 4.05Å; L89-F92 HydrophobicContact CD2-CZ 4.3Å; L89-F92 PolarHBondContact O-N 2.88Å; F92-D94 VanDerWaalsContact C-N 3.31Å; F92-D94 PolarHBondContact O-N 3.11Å; F92-T95 CarbonylContact O-C 3.59Å; F92-T95 WeakPolarHBondContact O-CA 3.3Å; F92-T95 WeakPolarHBondContact O-CB 3.48Å; F92-T95 PolarHBondContact O-N 3.31Å; F92-T95 VanDerWaalsContact O-N 3.07Å; F92-F96 HydrophobicContact CD2-CD2 4.46Å; F92-F96 HydrophobicContact CD2-CE2 4.27Å; F92-F96 HydrophobicContact CE1-CE2 4.25Å; F92-F96 AromaticContact CE2-CE2 3.99Å; F92-F96 HydrophobicContact CE2-CE2 3.99Å; F92-F96 HydrophobicContact CG-CD2 4.44Å; F92-F96 AromaticContact CZ-CE2 3.99Å; F92-F96 HydrophobicContact CZ-CE2 3.99Å; F92-F96 WeakPolarHBondContact O-CD2 3.21Å; F92-F96 PolarHBondContact O-N 3.03Å; F92-W117 HydrophobicContact CE1-CZ3 4.19Å; F92-W117 HydrophobicContact CE2-CH2 4.35Å; F92-W117 HydrophobicContact CE2-CZ3 4.16Å; F92-W117 HydrophobicContact CZ-CE3 4.11Å; F92-W117 AromaticContact CZ-CH2 3.99Å; F92-W117 HydrophobicContact CZ-CH2 3.99Å; F92-W117 AromaticContact CZ-CZ3 3.41Å; F92-W117 HydrophobicContact CZ-CZ3 3.41Å; F92-W117 VanDerWaalsContact CZ-CZ3 3.41Å; F92-F123 HydrophobicContact CE1-CD2 4.25Å; F92-F123 HydrophobicContact CE1-CE2 4.34Å; F92-F123 HydrophobicContact CE1-CG 4.46Å; F92-F123 HydrophobicContact CE2-CE2 4.4Å; F92-F123 HydrophobicContact CE2-CZ 4.35Å; F92-F123 AromaticContact CZ-CD2 3.93Å; F92-F123 HydrophobicContact CZ-CD2 3.93Å; F92-F123 HydrophobicContact CZ-CE1 4.41Å; F92-F123 AromaticContact CZ-CE2 3.59Å; F92-F123 HydrophobicContact CZ-CE2 3.59Å; F92-F123 HydrophobicContact CZ-CG 4.48Å; F92-F123 AromaticContact CZ-CZ 3.85Å; F92-F123 HydrophobicContact CZ-CZ 3.85Å; F92-I127 HydrophobicContact CD1-CG2 3.86Å; F92-I127 HydrophobicContact CE1-CG2 3.91Å; F92-L131 HydrophobicContact CD1-CD1 3.54Å; F92-L131 HydrophobicContact CE1-CD1 3.56Å
93T94.3Very high95Very high66 Ų6645.7 Ų45.741%0.40524%0.237SC..Hα-helixtrans-56.3-43.9177.6-44.20000111.7F96 R97 M134T93-F96 PolarHBondContact O-N 3.17Å; T93-R97 VanDerWaalsContact O-CG 3.29Å; T93-R97 WeakPolarHBondContact O-CG 3.35Å; T93-R97 PolarHBondContact O-N 2.84Å; T93-M134 HydrophobicContact CG2-CE 3.68Å
94D94.4Very high94.5Very high72 Ų7249.3 Ų49.339%0.38525%0.25SS..Hα-helixtrans-71.3-35.4176.3-66.9-46.2000112.9N91 F92 F96 R97 N98N91-D94 PolarHBondContact O-N 3.42Å; F92-D94 VanDerWaalsContact C-N 3.31Å; F92-D94 PolarHBondContact O-N 3.11Å; D94-F96 VanDerWaalsContact C-N 3.31Å; D94-F96 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact O-N 3.02Å; D94-R97 IonicContact OD1-CZ 3.72Å; D94-R97 IonicContact OD1-NH1 3.75Å; D94-R97 PolarHBondContact OD1-NH1 3.08Å; D94-N98 WeakPolarHBondContact O-CB 3.47Å; D94-N98 PolarHBondContact O-N 2.84Å; D94-N98 PolarHBondContact O-ND2 2.88Å
95T95.6Very high94.1Very high9 Ų955.4 Ų55.46%0.05528%0.283CS..Hα-helixtrans-61.2-43.7172.8-58.40000110.2I51 N91 F92 N98 L99I51-T95 HydrophobicContact CD1-CG2 3.76Å; I51-T95 HydrophobicContact CG2-CG2 4.17Å; N91-T95 WeakPolarHBondContact O-CB 3.26Å; N91-T95 PolarHBondContact O-N 3.08Å; N91-T95 PolarHBondContact O-OG1 3.16Å; F92-T95 CarbonylContact O-C 3.59Å; F92-T95 WeakPolarHBondContact O-CA 3.3Å; F92-T95 WeakPolarHBondContact O-CB 3.48Å; F92-T95 PolarHBondContact O-N 3.31Å; F92-T95 VanDerWaalsContact O-N 3.07Å; T95-N98 CarbonylContact O-C 3.52Å; T95-N98 WeakPolarHBondContact O-CB 3.48Å; T95-N98 PolarHBondContact O-N 3.25Å; T95-L99 HydrophobicContact CG2-CD1 4.28Å; T95-L99 WeakPolarHBondContact O-CG 3.44Å; T95-L99 PolarHBondContact O-N 3.18Å
96F96.1Very high93.9Very high1 Ų156.4 Ų56.40%0.00429%0.289CS..Hα-helixtrans-71.4-39.4177.7-88.5-92.6000113.7L63 F92 T93 D94 N98 L99 Y100 I110 L114 W117 L131 M134L63-F96 HydrophobicContact CD1-CE1 4.4Å; L63-F96 HydrophobicContact CD1-CE2 4.45Å; L63-F96 HydrophobicContact CD1-CZ 3.74Å; F92-F96 HydrophobicContact CD2-CD2 4.46Å; F92-F96 HydrophobicContact CD2-CE2 4.27Å; F92-F96 HydrophobicContact CE1-CE2 4.25Å; F92-F96 AromaticContact CE2-CE2 3.99Å; F92-F96 HydrophobicContact CE2-CE2 3.99Å; F92-F96 HydrophobicContact CG-CD2 4.44Å; F92-F96 AromaticContact CZ-CE2 3.99Å; F92-F96 HydrophobicContact CZ-CE2 3.99Å; F92-F96 WeakPolarHBondContact O-CD2 3.21Å; F92-F96 PolarHBondContact O-N 3.03Å; T93-F96 PolarHBondContact O-N 3.17Å; D94-F96 VanDerWaalsContact C-N 3.31Å; D94-F96 PolarHBondContact O-N 2.94Å; F96-N98 PolarHBondContact O-N 3.26Å; F96-L99 HydrophobicContact CD1-CD1 4.1Å; F96-L99 HydrophobicContact CD2-CD1 4.23Å; F96-L99 HydrophobicContact CE1-CD1 4.03Å; F96-L99 HydrophobicContact CE2-CD1 4.16Å; F96-L99 HydrophobicContact CG-CD1 4.2Å; F96-L99 HydrophobicContact CZ-CD1 4.04Å; F96-L99 PolarHBondContact O-N 2.89Å; F96-Y100 HydrophobicContact CB-CD2 4.38Å; F96-Y100 HydrophobicContact CB-CE2 4.2Å; F96-Y100 HydrophobicContact CD1-CD2 4.49Å; F96-Y100 AromaticContact CD1-CE2 3.76Å; F96-Y100 HydrophobicContact CD1-CE2 3.76Å; F96-Y100 HydrophobicContact CG-CE2 4.48Å; F96-Y100 WeakPolarHBondContact O-CD2 3.17Å; F96-Y100 PolarHBondContact O-N 3.08Å; F96-I110 HydrophobicContact CD1-CG2 4.11Å; F96-I110 HydrophobicContact CE1-CG2 3.67Å; F96-L114 HydrophobicContact CE1-CD1 4.04Å; F96-L114 HydrophobicContact CE1-CD2 3.65Å; F96-L114 HydrophobicContact CE1-CG 3.97Å; F96-L114 HydrophobicContact CZ-CD2 3.65Å; F96-L114 HydrophobicContact CZ-CG 4.36Å; F96-W117 HydrophobicContact CE2-CH2 4.34Å; F96-W117 AromaticContact CE2-CZ3 3.9Å; F96-W117 HydrophobicContact CE2-CZ3 3.9Å; F96-W117 HydrophobicContact CZ-CH2 4.08Å; F96-W117 AromaticContact CZ-CZ3 3.6Å; F96-W117 HydrophobicContact CZ-CZ3 3.6Å; F96-L131 HydrophobicContact CB-CD2 3.94Å; F96-L131 HydrophobicContact CD1-CB 4.29Å; F96-L131 HydrophobicContact CD2-CD1 3.93Å; F96-L131 HydrophobicContact CD2-CD2 4.15Å; F96-L131 HydrophobicContact CE2-CD1 4.02Å; F96-L131 HydrophobicContact CG-CB 4.37Å; F96-L131 HydrophobicContact CG-CD1 4.25Å; F96-L131 HydrophobicContact CG-CD2 4.01Å; F96-L131 HydrophobicContact CG-CG 4.44Å; F96-L131 HydrophobicContact CZ-CD1 4.4Å; F96-M134 HydrophobicContact CB-SD 4.31Å
97R94.8Very high93.7Very high141 Ų14155.3 Ų55.353%0.53228%0.277SS..Hα-helixtrans-51.5-44.2166.6-74.1167.7176.2162.7-5.7111.1T93 D94 C101 M134T93-R97 VanDerWaalsContact O-CG 3.29Å; T93-R97 WeakPolarHBondContact O-CG 3.35Å; T93-R97 PolarHBondContact O-N 2.84Å; D94-R97 PolarHBondContact O-N 3.02Å; D94-R97 IonicContact OD1-CZ 3.72Å; D94-R97 IonicContact OD1-NH1 3.75Å; D94-R97 PolarHBondContact OD1-NH1 3.08Å; R97-C101 PolarHBondContact O-SG 2.59Å; R97-C101 VanDerWaalsContact O-SG 3.42Å; R97-M134 HydrophobicContact CB-SD 4.36Å; R97-M134 HydrophobicContact CG-CE 4.08Å; R97-M134 HydrophobicContact CG-SD 3.7Å
98N94.6Very high93.5Very high39 Ų3956.8 Ų56.821%0.20929%0.289CS..Hα-helixtrans-71.9-28.1177.1-79.1-85.8000113.6I51 K52 K59 D94 T95 F96I51-N98 HydrophobicContact CG2-CB 3.99Å; K52-N98 WeakPolarHBondContact CG-OD1 3.38Å; K59-N98 VanDerWaalsContact CD-O 3.26Å; K59-N98 WeakPolarHBondContact CD-O 3.37Å; K59-N98 VanDerWaalsContact CE-O 3.28Å; K59-N98 WeakPolarHBondContact CE-O 3.39Å; K59-N98 PolarHBondContact NZ-O 3.32Å; D94-N98 WeakPolarHBondContact O-CB 3.47Å; D94-N98 PolarHBondContact O-N 2.84Å; D94-N98 PolarHBondContact O-ND2 2.88Å; T95-N98 CarbonylContact O-C 3.52Å; T95-N98 WeakPolarHBondContact O-CB 3.48Å; T95-N98 PolarHBondContact O-N 3.25Å; F96-N98 PolarHBondContact O-N 3.26Å
99L95.5Very high93.3Very high1 Ų160.2 Ų60.21%0.00530%0.304CS..Hα-helixtrans-75-41.3176-73.9169.1000112.5I51 K59 L63 T95 F96 C101 C102 I110I51-L99 HydrophobicContact CD1-CD2 4.23Å; I51-L99 HydrophobicContact CG1-CD2 4.2Å; I51-L99 HydrophobicContact CG2-CD2 3.67Å; I51-L99 HydrophobicContact CG2-CG 3.76Å; K59-L99 HydrophobicContact CB-CD2 4.14Å; K59-L99 WeakPolarHBondContact O-CD2 3.4Å; L63-L99 HydrophobicContact CB-CD1 4.03Å; L63-L99 HydrophobicContact CB-CD2 3.94Å; L63-L99 HydrophobicContact CD1-CD1 3.92Å; L63-L99 HydrophobicContact CD2-CD1 4.42Å; L63-L99 HydrophobicContact CG-CD1 4.35Å; T95-L99 HydrophobicContact CG2-CD1 4.28Å; T95-L99 WeakPolarHBondContact O-CG 3.44Å; T95-L99 PolarHBondContact O-N 3.18Å; F96-L99 HydrophobicContact CD1-CD1 4.1Å; F96-L99 HydrophobicContact CD2-CD1 4.23Å; F96-L99 HydrophobicContact CE1-CD1 4.03Å; F96-L99 HydrophobicContact CE2-CD1 4.16Å; F96-L99 HydrophobicContact CG-CD1 4.2Å; F96-L99 HydrophobicContact CZ-CD1 4.04Å; F96-L99 PolarHBondContact O-N 2.89Å; L99-C101 PolarHBondContact O-N 2.69Å; L99-C102 VanDerWaalsContact O-CB 3.3Å; L99-C102 WeakPolarHBondContact O-CB 3.44Å; L99-C102 PolarHBondContact O-N 3.38Å; L99-I110 HydrophobicContact CB-CD1 4.11Å
100Y95Very high93.3Very high24 Ų2457.3 Ų57.39%0.09429%0.289CS..Hα-helixtrans-67.4-13.3179.7-74.9-62.1000113.8F96 C102 K107 I110 L114 L131 M134 A135F96-Y100 HydrophobicContact CB-CD2 4.38Å; F96-Y100 HydrophobicContact CB-CE2 4.2Å; F96-Y100 HydrophobicContact CD1-CD2 4.49Å; F96-Y100 AromaticContact CD1-CE2 3.76Å; F96-Y100 HydrophobicContact CD1-CE2 3.76Å; F96-Y100 HydrophobicContact CG-CE2 4.48Å; F96-Y100 WeakPolarHBondContact O-CD2 3.17Å; F96-Y100 PolarHBondContact O-N 3.08Å; Y100-C102 PolarHBondContact O-N 3.36Å; Y100-K107 HydrophobicContact CD1-CG 4.37Å; Y100-I110 HydrophobicContact CD1-CD1 4.01Å; Y100-I110 HydrophobicContact CE1-CB 4.16Å; Y100-I110 HydrophobicContact CE1-CD1 4.15Å; Y100-I110 HydrophobicContact CE1-CG2 3.73Å; Y100-L114 VanDerWaalsContact OH-CD1 3.31Å; Y100-L114 WeakPolarHBondContact OH-CD1 3.37Å; Y100-L131 WeakPolarHBondContact CE2-O 3.47Å; Y100-L131 PolarHBondContact OH-O 3.06Å; Y100-M134 HydrophobicContact CD2-CB 4.32Å; Y100-M134 HydrophobicContact CD2-CG 3.94Å; Y100-M134 HydrophobicContact CD2-SD 3.75Å; Y100-M134 HydrophobicContact CE2-CB 4.09Å; Y100-M134 HydrophobicContact CE2-CG 4.21Å; Y100-M134 HydrophobicContact CE2-SD 4.14Å; Y100-A135 HydrophobicContact CD1-CB 4.36Å; Y100-A135 HydrophobicContact CE1-CB 3.56Å
101C91.4Very high93.3Very high81 Ų8152.1 Ų52.155%0.54727%0.268SS..SBendtrans-70.848.4160-570000112.5K59 R97 L99K59-C101 WeakPolarHBondContact CE-O 3.21Å; R97-C101 PolarHBondContact O-SG 2.59Å; R97-C101 VanDerWaalsContact O-SG 3.42Å; L99-C101 PolarHBondContact O-N 2.69Å
102C91.3Very high93.3Very high14 Ų1457.4 Ų57.410%0.09528%0.283CS..SBendtrans-113.6167.8174.967.80000109.9K59 L99 Y100 D106K59-C102 HydrophobicContact CB-CB 3.83Å; K59-C102 HydrophobicContact CG-CB 4.01Å; L99-C102 VanDerWaalsContact O-CB 3.3Å; L99-C102 WeakPolarHBondContact O-CB 3.44Å; L99-C102 PolarHBondContact O-N 3.38Å; Y100-C102 PolarHBondContact O-N 3.36Å; C102-D106 HydrophobicContact CB-CB 3.98Å
103P89.9Confident93.4Very high48 Ų4857.5 Ų57.531%0.31228%0.284SS..  trans-58153.2168.8-21.934.1000112P56 D105 D106 K107P56-P103 HydrophobicContact CB-CG 4.33Å; P103-D105 VanDerWaalsContact C-N 3.25Å; P103-D105 PolarHBondContact O-N 2.89Å; P103-D106 WeakPolarHBondContact O-CA 3.07Å; P103-D106 WeakPolarHBondContact O-CB 3.39Å; P103-D106 PolarHBondContact O-N 3.07Å; P103-K107 PolarHBondContact O-N 3.3Å
104E87.6Confident93.5Very high123 Ų12354.3 Ų54.358%0.57527%0.265SS*.Hα-helixtrans-58.7-38.9-178.7-152.562.3-150.800112.1D106 K107E104-D106 PolarHBondContact O-N 3Å; E104-D106 VanDerWaalsContact O-N 3.11Å; E104-K107 PolarHBondContact O-N 2.78Å; E104-K107 WeakPolarHBondContact OE1-CD 3.28Å; E104-K107 WeakPolarHBondContact OE1-CE 3.24Å; E104-K107 IonicContact OE1-NZ 2.85Å; E104-K107 PolarHBondContact OE1-NZ 3.31Å; E104-K107 WeakPolarHBondContact OE2-CE 3.4Å; E104-K107 IonicContact OE2-NZ 2.74Å; E104-K107 PolarHBondContact OE2-NZ 3Å
105D87.9Confident93.6Very high129 Ų12954.2 Ų54.269%0.6926%0.264SS*.Hα-helixtrans-58.5-22.1174.8-53.7-60.5000114P103 K109P103-D105 VanDerWaalsContact C-N 3.25Å; P103-D105 PolarHBondContact O-N 2.89Å; D105-K109 VanDerWaalsContact O-CE 3.26Å; D105-K109 WeakPolarHBondContact O-CE 3.45Å
106D91.9Very high93.6Very high21 Ų2157.8 Ų57.811%0.11228%0.283CS..Hα-helixtrans-93.7-24.1-178.1-87.5-17.2000113.2V60 C102 P103 E104 N108 K109 I110V60-D106 HydrophobicContact CG2-CB 3.66Å; C102-D106 HydrophobicContact CB-CB 3.98Å; P103-D106 WeakPolarHBondContact O-CA 3.07Å; P103-D106 WeakPolarHBondContact O-CB 3.39Å; P103-D106 PolarHBondContact O-N 3.07Å; E104-D106 PolarHBondContact O-N 3Å; E104-D106 VanDerWaalsContact O-N 3.11Å; D106-N108 VanDerWaalsContact C-N 3.27Å; D106-N108 PolarHBondContact O-N 2.83Å; D106-K109 WeakPolarHBondContact O-CA 3.28Å; D106-K109 VanDerWaalsContact O-CB 3.3Å; D106-K109 WeakPolarHBondContact O-CB 3.49Å; D106-K109 PolarHBondContact O-N 3.48Å; D106-K109 VanDerWaalsContact OD1-CD 3.3Å; D106-K109 WeakPolarHBondContact OD1-CD 3.35Å; D106-K109 WeakPolarHBondContact OD1-CE 3.46Å; D106-K109 IonicContact OD1-NZ 3.78Å; D106-K109 PolarHBondContact OD1-NZ 3.4Å; D106-I110 PolarHBondContact O-N 3.06Å
107K92.2Very high93.6Very high48 Ų4857.8 Ų57.821%0.20928%0.283CS..Hα-helixtrans-56.8-41.3178.8-67-173.1-173.1166.80112.3Y100 P103 E104 K109 I110 I111Y100-K107 HydrophobicContact CD1-CG 4.37Å; P103-K107 PolarHBondContact O-N 3.3Å; E104-K107 PolarHBondContact O-N 2.78Å; E104-K107 WeakPolarHBondContact OE1-CD 3.28Å; E104-K107 WeakPolarHBondContact OE1-CE 3.24Å; E104-K107 IonicContact OE1-NZ 2.85Å; E104-K107 PolarHBondContact OE1-NZ 3.31Å; E104-K107 WeakPolarHBondContact OE2-CE 3.4Å; E104-K107 IonicContact OE2-NZ 2.74Å; E104-K107 PolarHBondContact OE2-NZ 3Å; K107-K109 PolarHBondContact O-N 2.95Å; K107-K109 VanDerWaalsContact O-N 3.16Å; K107-I110 WeakPolarHBondContact O-CB 3.49Å; K107-I110 PolarHBondContact O-N 3.24Å; K107-I111 WeakPolarHBondContact O-CG1 3.37Å; K107-I111 PolarHBondContact O-N 3.25Å
108N92.9Very high93.5Very high93 Ų9354.5 Ų54.550%0.49727%0.273SS..Hα-helixtrans-59-25.9174.9-80.5-66.1000113.4D106 R112D106-N108 VanDerWaalsContact C-N 3.27Å; D106-N108 PolarHBondContact O-N 2.83Å; N108-R112 WeakPolarHBondContact O-CD 3.35Å; N108-R112 WeakPolarHBondContact O-CG 3.39Å; N108-R112 PolarHBondContact O-N 3.43Å
109K94.4Very high93.5Very high71 Ų7158 Ų5831%0.30929%0.287SS..Hα-helixtrans-80.7-34.3177.1-54.6168.6-162.5158.80110.6V60 D105 D106 K107 R112 V113V60-K109 HydrophobicContact CG1-CB 3.98Å; V60-K109 HydrophobicContact CG1-CD 4.38Å; V60-K109 HydrophobicContact CG2-CB 4.09Å; D105-K109 VanDerWaalsContact O-CE 3.26Å; D105-K109 WeakPolarHBondContact O-CE 3.45Å; D106-K109 WeakPolarHBondContact O-CA 3.28Å; D106-K109 VanDerWaalsContact O-CB 3.3Å; D106-K109 WeakPolarHBondContact O-CB 3.49Å; D106-K109 PolarHBondContact O-N 3.48Å; D106-K109 VanDerWaalsContact OD1-CD 3.3Å; D106-K109 WeakPolarHBondContact OD1-CD 3.35Å; D106-K109 WeakPolarHBondContact OD1-CE 3.46Å; D106-K109 IonicContact OD1-NZ 3.78Å; D106-K109 PolarHBondContact OD1-NZ 3.4Å; K107-K109 PolarHBondContact O-N 2.95Å; K107-K109 VanDerWaalsContact O-N 3.16Å; K109-R112 PolarHBondContact O-N 2.97Å; K109-V113 PolarHBondContact O-N 3.32Å
110I95.6Very high93.4Very high0 Ų060.5 Ų60.50%030%0.3CS..Hα-helixtrans-62.4-50.2171.2-59.7174.4000110.6V60 L63 F96 L99 Y100 D106 K107 R112 V113 L114V60-I110 HydrophobicContact CG2-CG1 3.99Å; L63-I110 HydrophobicContact CD2-CB 4.04Å; L63-I110 HydrophobicContact CD2-CG1 3.97Å; L63-I110 HydrophobicContact CD2-CG2 3.83Å; F96-I110 HydrophobicContact CD1-CG2 4.11Å; F96-I110 HydrophobicContact CE1-CG2 3.67Å; L99-I110 HydrophobicContact CB-CD1 4.11Å; Y100-I110 HydrophobicContact CD1-CD1 4.01Å; Y100-I110 HydrophobicContact CE1-CB 4.16Å; Y100-I110 HydrophobicContact CE1-CD1 4.15Å; Y100-I110 HydrophobicContact CE1-CG2 3.73Å; D106-I110 PolarHBondContact O-N 3.06Å; K107-I110 WeakPolarHBondContact O-CB 3.49Å; K107-I110 PolarHBondContact O-N 3.24Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 2.64Å; I110-V113 PolarHBondContact O-N 3.13Å; I110-L114 HydrophobicContact CG2-CD1 4.45Å; I110-L114 PolarHBondContact O-N 3.22Å; I110-L114 VanDerWaalsContact O-N 3.08Å
111I94.7Very high93.3Very high44 Ų4461.8 Ų61.823%0.22632%0.321CS..Hα-helixtrans-59.5-39.4179.1-62.5166.8000111.2K107 V113 L114 N115 A135K107-I111 WeakPolarHBondContact O-CG1 3.37Å; K107-I111 PolarHBondContact O-N 3.25Å; I111-V113 VanDerWaalsContact C-N 3.32Å; I111-V113 PolarHBondContact O-N 3.09Å; I111-L114 PolarHBondContact O-N 2.96Å; I111-N115 PolarHBondContact O-N 3.23Å; I111-A135 HydrophobicContact CD1-CB 3.93Å; I111-A135 HydrophobicContact CG1-CB 4.09Å
112R95.3Very high93.4Very high172 Ų17258.3 Ų58.365%0.64930%0.297SS*.Hα-helixtrans-61.1-36.1174.5-74.2166.8-169173.34.6113.1N108 K109 I110 L116N108-R112 WeakPolarHBondContact O-CD 3.35Å; N108-R112 WeakPolarHBondContact O-CG 3.39Å; N108-R112 PolarHBondContact O-N 3.43Å; K109-R112 PolarHBondContact O-N 2.97Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 2.64Å; R112-L116 VanDerWaalsContact O-CB 3.28Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 PolarHBondContact O-N 3.06Å
113V96.6Very high93.6Very high10 Ų1057.9 Ų57.96%0.06129%0.294CS..Hα-helixtrans-69.6-43.8174.6175.70000111L63 Y64 D67 K109 I110 I111 N115 L116 W117L63-V113 HydrophobicContact CD1-CG1 4.11Å; L63-V113 HydrophobicContact CD2-CB 3.91Å; L63-V113 HydrophobicContact CD2-CG1 4.15Å; L63-V113 HydrophobicContact CD2-CG2 4.04Å; L63-V113 HydrophobicContact CG-CB 4.3Å; L63-V113 HydrophobicContact CG-CG1 4.04Å; L63-V113 HydrophobicContact CG-CG2 4.32Å; Y64-V113 HydrophobicContact CD1-CG2 3.99Å; Y64-V113 HydrophobicContact CE1-CG2 3.67Å; D67-V113 HydrophobicContact CB-CG1 4.4Å; K109-V113 PolarHBondContact O-N 3.32Å; I110-V113 PolarHBondContact O-N 3.13Å; I111-V113 VanDerWaalsContact C-N 3.32Å; I111-V113 PolarHBondContact O-N 3.09Å; V113-N115 PolarHBondContact O-N 2.9Å; V113-L116 CarbonylContact O-C 3.57Å; V113-L116 WeakPolarHBondContact O-CA 3.49Å; V113-L116 PolarHBondContact O-N 3Å; V113-L116 VanDerWaalsContact O-N 3.07Å; V113-W117 HydrophobicContact CG1-CD2 4.02Å; V113-W117 HydrophobicContact CG1-CE3 4.49Å; V113-W117 HydrophobicContact CG1-CH2 4.27Å; V113-W117 HydrophobicContact CG1-CZ2 3.74Å; V113-W117 PolarHBondContact O-N 3.19Å
114L96.2Very high93.8Very high0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-58.3-46.8176.2-68.8172000111.6F96 Y100 I110 I111 L116 W117 Q118 L128 L131 M132F96-L114 HydrophobicContact CE1-CD1 4.04Å; F96-L114 HydrophobicContact CE1-CD2 3.65Å; F96-L114 HydrophobicContact CE1-CG 3.97Å; F96-L114 HydrophobicContact CZ-CD2 3.65Å; F96-L114 HydrophobicContact CZ-CG 4.36Å; Y100-L114 VanDerWaalsContact OH-CD1 3.31Å; Y100-L114 WeakPolarHBondContact OH-CD1 3.37Å; I110-L114 HydrophobicContact CG2-CD1 4.45Å; I110-L114 PolarHBondContact O-N 3.22Å; I110-L114 VanDerWaalsContact O-N 3.08Å; I111-L114 PolarHBondContact O-N 2.96Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.14Å; L114-W117 HydrophobicContact CD2-CE3 3.97Å; L114-W117 HydrophobicContact CD2-CZ3 4.14Å; L114-W117 WeakPolarHBondContact O-CB 3.47Å; L114-W117 PolarHBondContact O-N 2.75Å; L114-W117 VanDerWaalsContact O-N 3.09Å; L114-Q118 PolarHBondContact O-N 3.2Å; L114-L128 HydrophobicContact CD2-CD2 3.7Å; L114-L131 HydrophobicContact CD1-CB 4Å; L114-L131 HydrophobicContact CD2-CB 4.06Å; L114-L131 HydrophobicContact CD2-CD1 3.85Å; L114-M132 HydrophobicContact CB-CE 3.72Å; L114-M132 HydrophobicContact CB-CG 4.26Å; L114-M132 HydrophobicContact CD1-CG 3.95Å
115N95.4Very high94Very high70 Ų7059.9 Ų59.937%0.37430%0.304SS..Hα-helixtrans-62.6-34.2174.7-68.2-10.2000112.3I111 V113 W117 K119 M132I111-N115 PolarHBondContact O-N 3.23Å; V113-N115 PolarHBondContact O-N 2.9Å; N115-W117 VanDerWaalsContact C-N 3.34Å; N115-K119 WeakPolarHBondContact O-CB 3.41Å; N115-K119 PolarHBondContact O-N 3.23Å; N115-M132 WeakPolarHBondContact OD1-CE 3.39Å
116L95.5Very high94.3Very high84 Ų8461.9 Ų61.944%0.4431%0.309SS..Hα-helixtrans-78.5-15175.6-162.870.2000113.1R71 R112 V113 L114 N120R71-L116 PolarHBondContact NH2-O 3.41Å; R112-L116 VanDerWaalsContact O-CB 3.28Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 PolarHBondContact O-N 3.06Å; V113-L116 CarbonylContact O-C 3.57Å; V113-L116 WeakPolarHBondContact O-CA 3.49Å; V113-L116 PolarHBondContact O-N 3Å; V113-L116 VanDerWaalsContact O-N 3.07Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.14Å; L116-N120 WeakPolarHBondContact CD1-ND2 3.48Å; L116-N120 PolarHBondContact O-ND2 2.96Å
117W96.1Very high94.4Very high0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-81.4-49.1167.3-74.1-16.7000111L63 V66 D67 R71 F92 F96 V113 L114 N115 K119 N120 G121 V122 F123 L128L63-W117 HydrophobicContact CD1-CH2 3.45Å; L63-W117 VanDerWaalsContact CD1-CH2 3.45Å; L63-W117 HydrophobicContact CD1-CZ2 3.97Å; L63-W117 HydrophobicContact CD1-CZ3 4.21Å; V66-W117 HydrophobicContact CG1-CH2 4.02Å; V66-W117 HydrophobicContact CG1-CZ2 4.19Å; D67-W117 HydrophobicContact CB-CZ2 4.03Å; D67-W117 PolarHBondContact OD1-NE1 3.26Å; R71-W117 VanDerWaalsContact NH2-CD1 3.34Å; F92-W117 HydrophobicContact CE1-CZ3 4.19Å; F92-W117 HydrophobicContact CE2-CH2 4.35Å; F92-W117 HydrophobicContact CE2-CZ3 4.16Å; F92-W117 HydrophobicContact CZ-CE3 4.11Å; F92-W117 AromaticContact CZ-CH2 3.99Å; F92-W117 HydrophobicContact CZ-CH2 3.99Å; F92-W117 AromaticContact CZ-CZ3 3.41Å; F92-W117 HydrophobicContact CZ-CZ3 3.41Å; F92-W117 VanDerWaalsContact CZ-CZ3 3.41Å; F96-W117 HydrophobicContact CE2-CH2 4.34Å; F96-W117 AromaticContact CE2-CZ3 3.9Å; F96-W117 HydrophobicContact CE2-CZ3 3.9Å; F96-W117 HydrophobicContact CZ-CH2 4.08Å; F96-W117 AromaticContact CZ-CZ3 3.6Å; F96-W117 HydrophobicContact CZ-CZ3 3.6Å; V113-W117 HydrophobicContact CG1-CD2 4.02Å; V113-W117 HydrophobicContact CG1-CE3 4.49Å; V113-W117 HydrophobicContact CG1-CH2 4.27Å; V113-W117 HydrophobicContact CG1-CZ2 3.74Å; V113-W117 PolarHBondContact O-N 3.19Å; L114-W117 HydrophobicContact CD2-CE3 3.97Å; L114-W117 HydrophobicContact CD2-CZ3 4.14Å; L114-W117 WeakPolarHBondContact O-CB 3.47Å; L114-W117 PolarHBondContact O-N 2.75Å; L114-W117 VanDerWaalsContact O-N 3.09Å; N115-W117 VanDerWaalsContact C-N 3.34Å; W117-K119 PolarHBondContact O-N 2.94Å; W117-N120 PolarHBondContact O-N 3.07Å; W117-G121 PolarHBondContact O-N 3.37Å; W117-G121 VanDerWaalsContact O-N 3.15Å; W117-V122 HydrophobicContact CB-CB 3.9Å; W117-V122 HydrophobicContact CB-CG2 4.48Å; W117-V122 HydrophobicContact CG-CB 3.94Å; W117-V122 HydrophobicContact CG-CG1 4.16Å; W117-V122 HydrophobicContact CG-CG2 4.46Å; W117-V122 PolarHBondContact O-N 2.96Å; W117-F123 HydrophobicContact CB-CD2 4.17Å; W117-F123 AromaticContact CD2-CD2 3.74Å; W117-F123 HydrophobicContact CD2-CD2 3.74Å; W117-F123 AromaticContact CD2-CE2 3.8Å; W117-F123 HydrophobicContact CD2-CE2 3.8Å; W117-F123 AromaticContact CE3-CD2 3.6Å; W117-F123 HydrophobicContact CE3-CD2 3.6Å; W117-F123 AromaticContact CE3-CE2 3.75Å; W117-F123 HydrophobicContact CE3-CE2 3.75Å; W117-F123 HydrophobicContact CG-CD2 4.01Å; W117-F123 HydrophobicContact CG-CE2 4.34Å; W117-F123 HydrophobicContact CH2-CE2 4.25Å; W117-F123 HydrophobicContact CZ2-CE2 4.32Å; W117-F123 HydrophobicContact CZ3-CD2 4.21Å; W117-F123 AromaticContact CZ3-CE2 3.98Å; W117-F123 HydrophobicContact CZ3-CE2 3.98Å; W117-L128 HydrophobicContact CB-CD1 4.06Å; W117-L128 HydrophobicContact CB-CD2 4.29Å; W117-L128 HydrophobicContact CE3-CD2 3.94Å
118Q94.6Very high94.5Very high72 Ų7261.2 Ų61.234%0.33631%0.307SS..Hα-helixtrans-51.1-56.9174.2-178.6-164.17400110.8L114 N120 G121 M125 L128 M132L114-Q118 PolarHBondContact O-N 3.2Å; Q118-N120 VanDerWaalsContact C-N 3.28Å; Q118-N120 PolarHBondContact O-N 3.33Å; Q118-G121 PolarHBondContact O-N 3.17Å; Q118-M125 HydrophobicContact CG-CE 3.95Å; Q118-M125 HydrophobicContact CG-SD 4.16Å; Q118-M125 PolarHBondContact NE2-SD 3.5Å; Q118-L128 HydrophobicContact CB-CD1 3.65Å; Q118-L128 VanDerWaalsContact N-CD1 3.33Å; Q118-M132 HydrophobicContact CB-CE 4.46Å
119K93.2Very high94.5Very high112 Ų11261.4 Ų61.449%0.48731%0.305SS..THydrogen-bonded Turntrans-62.1-30.4-177.6-179.4168.3-178.3172.60114.3N115 W117 E249N115-K119 WeakPolarHBondContact O-CB 3.41Å; N115-K119 PolarHBondContact O-N 3.23Å; W117-K119 PolarHBondContact O-N 2.94Å; K119-E249 WeakPolarHBondContact CE-OE1 3.42Å
120N93.1Very high94.4Very high54 Ų5461 Ų6129%0.28931%0.309SS..THydrogen-bonded Turntrans-100.913.3-177.6-66.6-83.9000113.1L116 W117 Q118 V122L116-N120 WeakPolarHBondContact CD1-ND2 3.48Å; L116-N120 PolarHBondContact O-ND2 2.96Å; W117-N120 PolarHBondContact O-N 3.07Å; Q118-N120 VanDerWaalsContact C-N 3.28Å; Q118-N120 PolarHBondContact O-N 3.33Å; N120-V122 HydrophobicContact CB-CG2 3.98Å; N120-V122 PolarHBondContact O-N 3.42Å
121G92.8Very high94.4Very high51 Ų5161.1 Ų61.153%0.52631%0.31SS..THydrogen-bonded Turntrans59.130.2-178.500000113.9R74 W117 Q118R74-G121 PolarHBondContact NH1-O 3.23Å; W117-G121 PolarHBondContact O-N 3.37Å; W117-G121 VanDerWaalsContact O-N 3.15Å; Q118-G121 PolarHBondContact O-N 3.17Å
122V94.6Very high94.2Very high8 Ų860.7 Ų60.75%0.04831%0.307CS..SBendtrans-76-37.8179.2-171.60000110.1V70 R74 W117 N120V70-V122 HydrophobicContact CG1-CG1 3.76Å; R74-V122 PolarHBondContact NH1-O 3.45Å; R74-V122 PolarHBondContact NH2-O 2.92Å; W117-V122 HydrophobicContact CB-CB 3.9Å; W117-V122 HydrophobicContact CB-CG2 4.48Å; W117-V122 HydrophobicContact CG-CB 3.94Å; W117-V122 HydrophobicContact CG-CG1 4.16Å; W117-V122 HydrophobicContact CG-CG2 4.46Å; W117-V122 PolarHBondContact O-N 2.96Å; N120-V122 HydrophobicContact CB-CG2 3.98Å; N120-V122 PolarHBondContact O-N 3.42Å
123F95.4Very high94Very high6 Ų657 Ų573%0.02630%0.298CS..SBendtrans-144.4149.9169.2-57.9-73000109V70 L89 F92 W117 I127 L128V70-F123 HydrophobicContact CG1-CZ 4.06Å; V70-F123 HydrophobicContact CG2-CZ 4.43Å; L89-F123 HydrophobicContact CD1-CD1 4.19Å; L89-F123 HydrophobicContact CD1-CE1 4.27Å; L89-F123 HydrophobicContact CD2-CD1 3.65Å; L89-F123 HydrophobicContact CD2-CE1 3.7Å; L89-F123 HydrophobicContact CD2-CG 4.45Å; L89-F123 HydrophobicContact CG-CD1 4.14Å; L89-F123 HydrophobicContact CG-CE1 3.9Å; F92-F123 HydrophobicContact CE1-CD2 4.25Å; F92-F123 HydrophobicContact CE1-CE2 4.34Å; F92-F123 HydrophobicContact CE1-CG 4.46Å; F92-F123 HydrophobicContact CE2-CE2 4.4Å; F92-F123 HydrophobicContact CE2-CZ 4.35Å; F92-F123 AromaticContact CZ-CD2 3.93Å; F92-F123 HydrophobicContact CZ-CD2 3.93Å; F92-F123 HydrophobicContact CZ-CE1 4.41Å; F92-F123 AromaticContact CZ-CE2 3.59Å; F92-F123 HydrophobicContact CZ-CE2 3.59Å; F92-F123 HydrophobicContact CZ-CG 4.48Å; F92-F123 AromaticContact CZ-CZ 3.85Å; F92-F123 HydrophobicContact CZ-CZ 3.85Å; W117-F123 HydrophobicContact CB-CD2 4.17Å; W117-F123 AromaticContact CD2-CD2 3.74Å; W117-F123 HydrophobicContact CD2-CD2 3.74Å; W117-F123 AromaticContact CD2-CE2 3.8Å; W117-F123 HydrophobicContact CD2-CE2 3.8Å; W117-F123 AromaticContact CE3-CD2 3.6Å; W117-F123 HydrophobicContact CE3-CD2 3.6Å; W117-F123 AromaticContact CE3-CE2 3.75Å; W117-F123 HydrophobicContact CE3-CE2 3.75Å; W117-F123 HydrophobicContact CG-CD2 4.01Å; W117-F123 HydrophobicContact CG-CE2 4.34Å; W117-F123 HydrophobicContact CH2-CE2 4.25Å; W117-F123 HydrophobicContact CZ2-CE2 4.32Å; W117-F123 HydrophobicContact CZ3-CD2 4.21Å; W117-F123 AromaticContact CZ3-CE2 3.98Å; W117-F123 HydrophobicContact CZ3-CE2 3.98Å; F123-I127 HydrophobicContact CB-CB 4.49Å; F123-I127 HydrophobicContact CB-CG2 4.27Å; F123-L128 HydrophobicContact CB-CD1 4.16Å; F123-L128 HydrophobicContact CB-CD2 3.95Å; F123-L128 HydrophobicContact CB-CG 3.95Å; F123-L128 HydrophobicContact CD2-CD2 4.35Å; F123-L128 VanDerWaalsContact O-CD1 3.24Å; F123-L128 WeakPolarHBondContact O-CD1 3.23Å
124D93.1Very high93.6Very high112 Ų11259.3 Ų59.360%0.59931%0.308SS*.  trans-74.4161.1-176.4-54.4-74.5000112.5E126 I127 L128D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 3.47Å; D124-I127 WeakPolarHBondContact O-CB 3.41Å; D124-I127 PolarHBondContact O-N 3.02Å; D124-I127 VanDerWaalsContact O-N 3.09Å; D124-L128 PolarHBondContact O-N 3.45Å
125M92.3Very high92.9Very high101 Ų10160.1 Ų60.150%0.49832%0.315SS..Hα-helixtrans-56.3-43.2-175.2-167.869.377.400112.4Q118 I127 L128 Q129Q118-M125 HydrophobicContact CG-CE 3.95Å; Q118-M125 HydrophobicContact CG-SD 4.16Å; Q118-M125 PolarHBondContact NE2-SD 3.5Å; M125-I127 PolarHBondContact O-N 3.35Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-Q129 WeakPolarHBondContact O-CB 3.48Å; M125-Q129 PolarHBondContact O-N 3.39Å
126E94.1Very high92Very high171 Ų17162.1 Ų62.180%0.79933%0.326SS*.Hα-helixtrans-57.7-30-179.5-60.9171.8-167.300112.9D124 P130D124-E126 VanDerWaalsContact C-N 3.29Å; D124-E126 PolarHBondContact O-N 3.47Å; E126-P130 VanDerWaalsContact O-CD 3.31Å; E126-P130 WeakPolarHBondContact O-CD 3.27Å
127I94.3Very high90.5Very high55 Ų5561.3 Ų61.328%0.28234%0.338SS..Hα-helixtrans-83.4-37.2177.8-63.1169000110.8L89 F92 F123 D124 M125 L131L89-I127 HydrophobicContact CD1-CD1 3.88Å; L89-I127 HydrophobicContact CD2-CD1 4.16Å; L89-I127 HydrophobicContact CD2-CG2 3.52Å; F92-I127 HydrophobicContact CD1-CG2 3.86Å; F92-I127 HydrophobicContact CE1-CG2 3.91Å; F123-I127 HydrophobicContact CB-CB 4.49Å; F123-I127 HydrophobicContact CB-CG2 4.27Å; D124-I127 WeakPolarHBondContact O-CB 3.41Å; D124-I127 PolarHBondContact O-N 3.02Å; D124-I127 VanDerWaalsContact O-N 3.09Å; M125-I127 PolarHBondContact O-N 3.35Å; I127-L131 WeakPolarHBondContact O-CD1 3.36Å; I127-L131 WeakPolarHBondContact O-CG 3.36Å
128L94.8Very high87.9Confident0 Ų066.6 Ų66.60%037%0.37CS..Hα-helixtrans-86.4-33.3-171.4-66176.8000113.3L114 W117 Q118 F123 D124 M125 L131 M132L114-L128 HydrophobicContact CD2-CD2 3.7Å; W117-L128 HydrophobicContact CB-CD1 4.06Å; W117-L128 HydrophobicContact CB-CD2 4.29Å; W117-L128 HydrophobicContact CE3-CD2 3.94Å; Q118-L128 HydrophobicContact CB-CD1 3.65Å; Q118-L128 VanDerWaalsContact N-CD1 3.33Å; F123-L128 HydrophobicContact CB-CD1 4.16Å; F123-L128 HydrophobicContact CB-CD2 3.95Å; F123-L128 HydrophobicContact CB-CG 3.95Å; F123-L128 HydrophobicContact CD2-CD2 4.35Å; F123-L128 VanDerWaalsContact O-CD1 3.24Å; F123-L128 WeakPolarHBondContact O-CD1 3.23Å; D124-L128 PolarHBondContact O-N 3.45Å; M125-L128 PolarHBondContact O-N 2.9Å; L128-L131 HydrophobicContact CD2-CD1 4.3Å; L128-L131 WeakPolarHBondContact O-CB 3.3Å; L128-L131 PolarHBondContact O-N 2.93Å; L128-L131 VanDerWaalsContact O-N 3.09Å; L128-M132 HydrophobicContact CB-CE 4.27Å; L128-M132 WeakPolarHBondContact O-CG 3.41Å; L128-M132 PolarHBondContact O-N 3.44Å
129Q91.7Very high85.5Confident97 Ų9769.7 Ų69.745%0.45339%0.394SS..Hα-helixtrans-56.8-50.1-178.2168.9176.4-4.900112.7M125 L131 M132 E133M125-Q129 WeakPolarHBondContact O-CB 3.48Å; M125-Q129 PolarHBondContact O-N 3.39Å; Q129-L131 PolarHBondContact O-N 3.13Å; Q129-L131 VanDerWaalsContact O-N 3.09Å; Q129-M132 WeakPolarHBondContact O-CB 3.46Å; Q129-M132 PolarHBondContact O-N 3Å; Q129-E133 HydrophobicContact CG-CG 4.34Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.45Å; Q129-E133 PolarHBondContact NE2-OE1 2.93Å; Q129-E133 WeakPolarHBondContact O-CG 3.39Å; Q129-E133 PolarHBondContact O-N 2.99Å
130P94.3Very high82.7Confident62 Ų6270.5 Ų70.540%0.40341%0.408SS..Hα-helixtrans-61.9-21.7177.8-24.535.4000114.1E126 M134E126-P130 VanDerWaalsContact O-CD 3.31Å; E126-P130 WeakPolarHBondContact O-CD 3.27Å; P130-M134 WeakPolarHBondContact O-CB 3.47Å; P130-M134 PolarHBondContact O-N 3.29Å
131L94.1Very high80.1Confident2 Ų273.1 Ų73.11%0.0143%0.427CS..Hα-helixtrans-82.1-37.5176.3-47.4175.2000111F92 F96 Y100 L114 I127 L128 Q129 M134F92-L131 HydrophobicContact CD1-CD1 3.54Å; F92-L131 HydrophobicContact CE1-CD1 3.56Å; F96-L131 HydrophobicContact CB-CD2 3.94Å; F96-L131 HydrophobicContact CD1-CB 4.29Å; F96-L131 HydrophobicContact CD2-CD1 3.93Å; F96-L131 HydrophobicContact CD2-CD2 4.15Å; F96-L131 HydrophobicContact CE2-CD1 4.02Å; F96-L131 HydrophobicContact CG-CB 4.37Å; F96-L131 HydrophobicContact CG-CD1 4.25Å; F96-L131 HydrophobicContact CG-CD2 4.01Å; F96-L131 HydrophobicContact CG-CG 4.44Å; F96-L131 HydrophobicContact CZ-CD1 4.4Å; Y100-L131 WeakPolarHBondContact CE2-O 3.47Å; Y100-L131 PolarHBondContact OH-O 3.06Å; L114-L131 HydrophobicContact CD1-CB 4Å; L114-L131 HydrophobicContact CD2-CB 4.06Å; L114-L131 HydrophobicContact CD2-CD1 3.85Å; I127-L131 WeakPolarHBondContact O-CD1 3.36Å; I127-L131 WeakPolarHBondContact O-CG 3.36Å; L128-L131 HydrophobicContact CD2-CD1 4.3Å; L128-L131 WeakPolarHBondContact O-CB 3.3Å; L128-L131 PolarHBondContact O-N 2.93Å; L128-L131 VanDerWaalsContact O-N 3.09Å; Q129-L131 PolarHBondContact O-N 3.13Å; Q129-L131 VanDerWaalsContact O-N 3.09Å; L131-M134 HydrophobicContact CD2-CE 4.45Å; L131-M134 WeakPolarHBondContact O-CB 3.47Å; L131-M134 PolarHBondContact O-N 2.97Å
132M91Very high77.4Confident35 Ų3579.3 Ų79.317%0.17244%0.443CS..Hα-helixtrans-65.9-43.9173.4-65.8174.7176.500111L114 N115 Q118 L128 Q129 M134 A135L114-M132 HydrophobicContact CB-CE 3.72Å; L114-M132 HydrophobicContact CB-CG 4.26Å; L114-M132 HydrophobicContact CD1-CG 3.95Å; N115-M132 WeakPolarHBondContact OD1-CE 3.39Å; Q118-M132 HydrophobicContact CB-CE 4.46Å; L128-M132 HydrophobicContact CB-CE 4.27Å; L128-M132 WeakPolarHBondContact O-CG 3.41Å; L128-M132 PolarHBondContact O-N 3.44Å; Q129-M132 WeakPolarHBondContact O-CB 3.46Å; Q129-M132 PolarHBondContact O-N 3Å; M132-M134 VanDerWaalsContact C-N 3.31Å; M132-M134 PolarHBondContact O-N 3.39Å; M132-A135 VanDerWaalsContact O-CB 3.29Å; M132-A135 WeakPolarHBondContact O-CB 3.46Å; M132-A135 PolarHBondContact O-N 3.38Å; M132-A135 VanDerWaalsContact O-N 3.11Å
133E90.3Very high74.6Confident96 Ų9683.6 Ų83.645%0.44947%0.473SS..Hα-helixtrans-61.9-37.7176.1-70.6167.2176.700112.1Q129 A135 N136Q129-E133 HydrophobicContact CG-CG 4.34Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.45Å; Q129-E133 PolarHBondContact NE2-OE1 2.93Å; Q129-E133 WeakPolarHBondContact O-CG 3.39Å; Q129-E133 PolarHBondContact O-N 2.99Å; E133-A135 PolarHBondContact O-N 2.76Å; E133-A135 VanDerWaalsContact O-N 3.13Å; E133-N136 PolarHBondContact O-N 2.77Å
134M88.6Confident71.5Confident57 Ų5787.8 Ų87.828%0.28151%0.509SS..Hα-helixtrans-58.7-24.3174.7-167.2-175.6-54.100113.5T93 F96 R97 Y100 P130 L131 M132 N136T93-M134 HydrophobicContact CG2-CE 3.68Å; F96-M134 HydrophobicContact CB-SD 4.31Å; R97-M134 HydrophobicContact CB-SD 4.36Å; R97-M134 HydrophobicContact CG-CE 4.08Å; R97-M134 HydrophobicContact CG-SD 3.7Å; Y100-M134 HydrophobicContact CD2-CB 4.32Å; Y100-M134 HydrophobicContact CD2-CG 3.94Å; Y100-M134 HydrophobicContact CD2-SD 3.75Å; Y100-M134 HydrophobicContact CE2-CB 4.09Å; Y100-M134 HydrophobicContact CE2-CG 4.21Å; Y100-M134 HydrophobicContact CE2-SD 4.14Å; P130-M134 WeakPolarHBondContact O-CB 3.47Å; P130-M134 PolarHBondContact O-N 3.29Å; L131-M134 HydrophobicContact CD2-CE 4.45Å; L131-M134 WeakPolarHBondContact O-CB 3.47Å; L131-M134 PolarHBondContact O-N 2.97Å; M132-M134 VanDerWaalsContact C-N 3.31Å; M132-M134 PolarHBondContact O-N 3.39Å; M134-N136 VanDerWaalsContact C-N 3.34Å
135A81.8Confident68.7Low17 Ų1786.6 Ų86.614%0.1451%0.514CS..THydrogen-bonded Turntrans-73.6-25.3175.400000113.4Y100 I111 M132 E133Y100-A135 HydrophobicContact CD1-CB 4.36Å; Y100-A135 HydrophobicContact CE1-CB 3.56Å; I111-A135 HydrophobicContact CD1-CB 3.93Å; I111-A135 HydrophobicContact CG1-CB 4.09Å; M132-A135 VanDerWaalsContact O-CB 3.29Å; M132-A135 WeakPolarHBondContact O-CB 3.46Å; M132-A135 PolarHBondContact O-N 3.38Å; M132-A135 VanDerWaalsContact O-N 3.11Å; E133-A135 PolarHBondContact O-N 2.76Å; E133-A135 VanDerWaalsContact O-N 3.13Å
136N76.3Confident65.7Low113 Ų11391.2 Ų91.260%0.60454%0.535SS*.THydrogen-bonded Turntrans-93.6-8.2-168.4-63.5-13.7000113.7E133 M134 T138E133-N136 PolarHBondContact O-N 2.77Å; M134-N136 VanDerWaalsContact C-N 3.34Å; N136-T138 PolarHBondContact O-N 3.02Å; N136-T138 VanDerWaalsContact O-N 3.08Å
137G64.1Low62.6Low67 Ų6786.4 Ų86.469%0.69153%0.531SS*.  trans73.1-6.517100000116.8V139G137-V139 PolarHBondContact O-N 3.23Å
138T42.3Very low59.4Low111 Ų11191.7 Ų91.768%0.68156%0.56SS**  trans-76.399.8-17947.60000112.3N136N136-T138 PolarHBondContact O-N 3.02Å; N136-T138 VanDerWaalsContact O-N 3.08Å
139V42.8Very low56.1Low137 Ų137100.3 Ų100.383%0.8360%0.6SS**  trans-97.1117.2161.3179.70000108.5G137G137-V139 PolarHBondContact O-N 3.23Å
140V35.9Very low53Low128 Ų128102 Ų10278%0.77662%0.617SS**  trans-120.9127.5172.2-177.60000108.3
141P38.7Very low49.8Very low109 Ų109106.2 Ų106.271%0.70864%0.635SS**  trans-95.9120.3-172.133.7-32.6000115
142H34.8Very low46.6Very low182 Ų182115 Ų11584%0.84367%0.673SS**  trans65.7162.8157.5-85.554000117.8
143S35.4Very low43.5Very low98 Ų98122.1 Ų122.169%0.68571%0.705SS**  cis-138.8178.35.5-1480000109.2
144A31.3Very low40.2Very low94 Ų94123.2 Ų123.278%0.77772%0.722SS**  cis-164-175.820.100000109.7
145A34.8Very low37.2Very low86 Ų86127.5 Ų127.571%0.71175%0.746SS**  cis-173.4143.9-48.700000109.5
146E28.7Very low34.5Very low199 Ų199130.4 Ų130.493%0.9376%0.762SS**  trans158.3109.6161.7-96.4174.8-166.300106.3
147G28.1Very low32.2Very low70 Ų70132.8 Ų132.872%0.72277%0.77SS**  111.3135.979.400000108.3
148N28.4Very low30.4Very low166 Ų166137.2 Ų137.289%0.88877%0.77SS**  cis-141.4-176.86-91.4-8.9000111.6
149E25.2Very low29.4Very low181 Ų181140.5 Ų140.585%0.84678%0.775SS**  trans-65.3165.3-170.1-49.1179.494.100117.5
150V27Very low29.4Very low133 Ų133139 Ų13981%0.80677%0.768SS**  -176.5123.1112.3146.60000111.9
151L25.8Very low29Very low149 Ų149139.2 Ų139.278%0.7877%0.77SS**  trans30.9132.5148.1-121.970.1000119.9
152K26.4Very low28.3Very low187 Ų187140.5 Ų140.581%0.81377%0.77SS**  cis-155.9152.146.6-73.8174179.1178.60113.5
153H27.2Very low28Very low184 Ų184138.8 Ų138.885%0.85277%0.767SS**  trans-84.1163.6173.3-93.568.5000114
154C20.2Very low27.4Very low119 Ų119142.2 Ų142.280%0.80477%0.772SS**  trans-109.7153.8154.654.50000110.6
155N26.7Very low27.4Very low147 Ų147144 Ų14479%0.78678%0.775SS**  trans-141.2155.2-172.3-96.54.9000108.2
156T24.4Very low26.8Very low78 Ų78147.6 Ų147.648%0.47978%0.778SS.*  cis-162.2155.7-14.3-67.90000105.4K158T156-K158 HydrophobicContact CG2-CG 4.12Å
157H28.1Very low26.5Very low164 Ų164143.7 Ų143.776%0.75977%0.768SS**  172.5123.9102.3-91.1-93.4000107.8
158K26.7Very low26.3Very low160 Ų160147.7 Ų147.770%0.69677%0.772SS**  68138.280.1-68-155.4177-171.50113.2T156T156-K158 HydrophobicContact CG2-CG 4.12Å
159F20.5Very low26Very low179 Ų179146.5 Ų146.579%0.78577%0.77SS**  cis170.2-167.5-12.3-111.9-40.7000106.3
160P42.6Very low25.9Very low105 Ų105141.2 Ų141.268%0.68277%0.765SS**  cis-136.6-159.3-25.926.10.6000113.7
161V27.6Very low26Very low134 Ų134142.9 Ų142.981%0.81277%0.769SS**  trans92.5136.5151.9174.90000119.6
162D24.1Very low26Very low135 Ų135140 Ų14072%0.72277%0.767SS**  cis-171.8176.3-26.3-16212.3000111.9
163L28Very low26.1Very low147 Ų147135.9 Ų135.977%0.7776%0.761SS**  trans88.7122155.2-62.1174.9000122.4
164Q24Very low26Very low170 Ų170134.3 Ų134.379%0.79476%0.759SS**  trans-101.3172.3145.5-63.4178.4-7200109.2
165P31.4Very low26.5Very low130 Ų130136.2 Ų136.284%0.84476%0.76SS**  -145.4177.6101.438.6-23.3000115.4
166E21.3Very low26.8Very low163 Ų163134.8 Ų134.876%0.76276%0.759SS**  trans-93.7161.1-178.1-51.4175.3127.800113.3
167T23.3Very low27.3Very low117 Ų117136.5 Ų136.572%0.71877%0.773SS**  165.3128107.538.30000117
168L24Very low27.4Very low154 Ų154134.6 Ų134.681%0.80677%0.773SS**  trans79.9150130.9-67.9171.6000126
169T22.1Very low27.5Very low141 Ų141133.7 Ų133.787%0.86578%0.775SS**  trans76.2117.9169.966.30000118.1
170G23.1Very low28.4Very low70 Ų70131.5 Ų131.572%0.72278%0.779SS**  cis-175.2156.9-8.800000116
171N28.9Very low28.3Very low168 Ų168130.3 Ų130.390%0.89877%0.77SS**  trans25.5127.1152-49.2-1.8000119
172A26.1Very low29.3Very low89 Ų89129 Ų12974%0.73676%0.764SS**  cis-155.1-144.1-3.600000107.2
173S27.5Very low30.2Very low99 Ų99129.2 Ų129.269%0.69276%0.761SS**  cis-172.4147.4-1.136.20000106.4
174D25.1Very low31.1Very low152 Ų152125.7 Ų125.781%0.81375%0.753SS**  cis-157.4-174.5-11.3-92.3-39.3000109.2
175I30.4Very low32.2Very low159 Ų159124.2 Ų124.282%0.81575%0.75SS**  trans-131.9137.3-161.7-75.9169.4000109.7
176P32.9Very low33.2Very low117 Ų117120.2 Ų120.276%0.7673%0.728SS**  -149.9157.399.138.2-19.4000118.3
177S35.8Very low34.6Very low113 Ų113115.5 Ų115.579%0.7972%0.717SS**  trans-75.1146.1170.453.40000113.8
178V29.5Very low35.9Very low125 Ų125114.4 Ų114.476%0.75871%0.709SS**  trans-134.1151.7171.8-177.80000110.7
179L29.7Very low37.2Very low141 Ų141109.2 Ų109.274%0.73869%0.689SS**  trans-64.6156.3178.9-70.272.7000112.5T181L179-T181 PolarHBondContact O-N 3.31Å
180P38.2Very low38.6Very low132 Ų132109.1 Ų109.186%0.85768%0.678SS**  trans-65.8115.7162.128.7-33.1000110.3
181T40.7Very low39.7Very low81 Ų81112.4 Ų112.450%0.49768%0.679SS.*  trans-79.1155.5178.8510000112.3L179 E183L179-T181 PolarHBondContact O-N 3.31Å; T181-E183 PolarHBondContact O-N 3.44Å; T181-E183 VanDerWaalsContact O-N 3.08Å
182P48.7Very low40.5Very low107 Ų107112.2 Ų112.270%0.69567%0.67SS**THydrogen-bonded Turntrans-68.8-5.8-17627.4-35.9000115L185 A186P182-L185 PolarHBondContact O-N 2.91Å; P182-A186 PolarHBondContact O-N 3.33Å
183E43.2Very low41.9Very low139 Ų139114.9 Ų114.965%0.6567%0.667SS**Hα-helixtrans-77.4-26.3-173.9-65.9169.9124.900113.2T181 L185 A186 A187T181-E183 PolarHBondContact O-N 3.44Å; T181-E183 VanDerWaalsContact O-N 3.08Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.06Å; E183-A186 WeakPolarHBondContact O-CB 3.37Å; E183-A186 PolarHBondContact O-N 3.09Å; E183-A186 VanDerWaalsContact O-N 3.12Å; E183-A187 PolarHBondContact O-N 2.98Å
184A48.2Very low42.8Very low73 Ų73113.1 Ų113.160%0.60366%0.655SS**Hα-helixtrans-63.1-32.9173.900000112.4
185L45.8Very low44Very low139 Ų139110.6 Ų110.673%0.72865%0.65SS**Hα-helixtrans-78-31.9173.3-70.8170000111.9P182 E183 V188 A189P182-L185 PolarHBondContact O-N 2.91Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.06Å; L185-V188 PolarHBondContact O-N 3.42Å; L185-A189 PolarHBondContact O-N 2.82Å; L185-A189 VanDerWaalsContact O-N 3.08Å
186A53.6Low45Very low46 Ų46109.6 Ų109.638%0.3864%0.641SS.*Hα-helixtrans-65-37.917400000112.3P182 E183 V188 A189 Q190P182-A186 PolarHBondContact O-N 3.33Å; E183-A186 WeakPolarHBondContact O-CB 3.37Å; E183-A186 PolarHBondContact O-N 3.09Å; E183-A186 VanDerWaalsContact O-N 3.12Å; A186-V188 VanDerWaalsContact C-N 3.33Å; A186-V188 PolarHBondContact O-N 2.96Å; A186-A189 WeakPolarHBondContact O-CB 3.35Å; A186-A189 PolarHBondContact O-N 3.49Å; A186-A189 VanDerWaalsContact O-N 3.14Å; A186-Q190 PolarHBondContact O-N 3.28Å
187A49.7Very low45.8Very low64 Ų64106.4 Ų106.453%0.52963%0.625SS.*Hα-helixtrans-60.9-39.2175.500000112.7E183E183-A187 PolarHBondContact O-N 2.98Å
188V51.3Low46.7Very low93 Ų93107.5 Ų107.556%0.56462%0.617SS**Hα-helixtrans-69.1-37.7173.7-179.70000111.2L185 A186 L191L185-V188 PolarHBondContact O-N 3.42Å; A186-V188 VanDerWaalsContact C-N 3.33Å; A186-V188 PolarHBondContact O-N 2.96Å; V188-L191 PolarHBondContact O-N 3.19Å
189A50.9Low48.1Very low45 Ų45106.4 Ų106.437%0.37260%0.604SS.*Hα-helixtrans-66.6-36.4177.600000113.2L185 A186 L191 F192 Q193L185-A189 PolarHBondContact O-N 2.82Å; L185-A189 VanDerWaalsContact O-N 3.08Å; A186-A189 WeakPolarHBondContact O-CB 3.35Å; A186-A189 PolarHBondContact O-N 3.49Å; A186-A189 VanDerWaalsContact O-N 3.14Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 3.33Å; A189-F192 PolarHBondContact O-N 2.71Å; A189-Q193 WeakPolarHBondContact O-CG 3.31Å
190Q52.1Low49.2Very low139 Ų139105.1 Ų105.165%0.6559%0.594SS**Hα-helixtrans-67.3-31.2177.7-76-173.9-7.200113A186 F192 Q193A186-Q190 PolarHBondContact O-N 3.28Å; Q190-F192 PolarHBondContact O-N 3.18Å; Q190-Q193 PolarHBondContact O-N 2.81Å
191L45.8Very low50.1Low139 Ų139104.2 Ų104.273%0.72858%0.582SS**Hα-helixtrans-60.1-33.1175.8-152.377.6000112.1V188 A189 S194V188-L191 PolarHBondContact O-N 3.19Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 3.33Å; L191-S194 PolarHBondContact O-OG 3.42Å
192F45.2Very low51Low165 Ų165106.7 Ų106.772%0.72459%0.587SS**THydrogen-bonded Turntrans-84.2-3.4176.3-85.7-85.2000114.8A189 Q190A189-F192 PolarHBondContact O-N 2.71Å; Q190-F192 PolarHBondContact O-N 3.18Å
193Q55.3Low51.7Low144 Ų144109.4 Ų109.467%0.67358%0.584SS**THydrogen-bonded Turntrans-99.95.3179.7-69.3175.625.600113.6A189 Q190 S195A189-Q193 WeakPolarHBondContact O-CG 3.31Å; Q190-Q193 PolarHBondContact O-N 2.81Å; Q193-S195 PolarHBondContact O-N 2.92Å
194S46.8Very low52.3Low62 Ų62108.6 Ų108.643%0.43458%0.581SS.*  trans-69.3120171.661.50000110.9L191 H196 A197L191-S194 PolarHBondContact O-OG 3.42Å; S194-H196 PolarHBondContact O-N 3.36Å; S194-A197 PolarHBondContact O-N 3.12Å
195S50.4Low52.7Low100 Ų100110 Ų11070%0.69958%0.578SS**Hα-helixtrans-55.4-29.1-174.647.20000114.1Q193 A197 E199Q193-S195 PolarHBondContact O-N 2.92Å; S195-A197 PolarHBondContact O-N 2.94Å; S195-E199 PolarHBondContact O-N 3.28Å
196H50.4Low53.3Low138 Ų138108.8 Ų108.864%0.63957%0.569SS**Hα-helixtrans-65.1-34.2177.7-163.7-37.3000113.4S194 Q200S194-H196 PolarHBondContact O-N 3.36Å; H196-Q200 WeakPolarHBondContact O-CB 3.27Å; H196-Q200 PolarHBondContact O-N 2.98Å
197A49.7Very low53.3Low50 Ų50112.1 Ų112.141%0.41358%0.58SS.*Hα-helixtrans-70.4-39.1-177.400000112S194 S195 Q200 L201S194-A197 PolarHBondContact O-N 3.12Å; S195-A197 PolarHBondContact O-N 2.94Å; A197-Q200 PolarHBondContact O-N 3.39Å; A197-L201 PolarHBondContact O-N 3.46Å
198Q54.8Low53Low136 Ų136117.2 Ų117.264%0.63659%0.591SS**Hα-helixtrans-75.7-38.3-174.9-160166.1-14.200112.2Q200 L201 Q202Q198-Q200 VanDerWaalsContact C-N 3.34Å; Q198-Q200 PolarHBondContact O-N 3.41Å; Q198-L201 PolarHBondContact O-N 2.72Å; Q198-Q202 PolarHBondContact O-N 2.95Å
199E59.3Low53.1Low101 Ų101120 Ų12047%0.47260%0.597SS.*Hα-helixtrans-60.1-41.6170-85.3-159.6-152.300112.5S195 L201 Q202 R203S195-E199 PolarHBondContact O-N 3.28Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.15Å; E199-Q202 PolarHBondContact O-N 2.7Å; E199-R203 WeakPolarHBondContact O-CG 3.43Å; E199-R203 PolarHBondContact O-N 3.3Å; E199-R203 IonicContact OE2-CZ 3.7Å; E199-R203 IonicContact OE2-NE 2.75Å; E199-R203 IonicContact OE2-NH2 2.88Å; E199-R203 PolarHBondContact OE2-NH2 3.46Å
200Q53.1Low53Low114 Ų114124.9 Ų124.953%0.53361%0.613SS.*Hα-helixtrans-66.8-35.3-176.8-169.1164.6-18.300111.7H196 A197 Q198 M204H196-Q200 WeakPolarHBondContact O-CB 3.27Å; H196-Q200 PolarHBondContact O-N 2.98Å; A197-Q200 PolarHBondContact O-N 3.39Å; Q198-Q200 VanDerWaalsContact C-N 3.34Å; Q198-Q200 PolarHBondContact O-N 3.41Å; Q200-M204 PolarHBondContact O-N 3.03Å
201L56.4Low52.5Low114 Ų114122.3 Ų122.360%0.59762%0.615SS**Hα-helixtrans-67.8-42.6170.9-169.267.5000112A197 Q198 E199 M204 L205A197-L201 PolarHBondContact O-N 3.46Å; Q198-L201 PolarHBondContact O-N 2.72Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.15Å; L201-M204 PolarHBondContact O-N 2.93Å; L201-L205 PolarHBondContact O-N 2.86Å
202Q61.4Low52Low132 Ų132124 Ų12462%0.61762%0.619SS**Hα-helixtrans-63.3-43.1177.3-114176.2-8.200112.4Q198 E199 M204 L205 Q206Q198-Q202 PolarHBondContact O-N 2.95Å; E199-Q202 PolarHBondContact O-N 2.7Å; Q202-M204 VanDerWaalsContact C-N 3.31Å; Q202-M204 PolarHBondContact O-N 3.29Å; Q202-L205 PolarHBondContact O-N 3.49Å; Q202-Q206 PolarHBondContact O-N 3.01Å
203R62.5Low51.5Low165 Ų165126.9 Ų126.962%0.62363%0.625SS**Hα-helixtrans-62.6-36.4174.8-69.3-177.3-166.3-160.17.6112.3E199 Q206 N207E199-R203 WeakPolarHBondContact O-CG 3.43Å; E199-R203 PolarHBondContact O-N 3.3Å; E199-R203 IonicContact OE2-CZ 3.7Å; E199-R203 IonicContact OE2-NE 2.75Å; E199-R203 IonicContact OE2-NH2 2.88Å; E199-R203 PolarHBondContact OE2-NH2 3.46Å; R203-Q206 PolarHBondContact O-N 3.43Å; R203-N207 PolarHBondContact O-N 2.77Å; R203-N207 VanDerWaalsContact O-N 3.15Å
204M56Low50.3Low121 Ų121126.5 Ų126.560%0.59663%0.633SS**Hα-helixtrans-69-38177-162.8170-69.300112.3Q200 L201 Q202 F208Q200-M204 PolarHBondContact O-N 3.03Å; L201-M204 PolarHBondContact O-N 2.93Å; Q202-M204 VanDerWaalsContact C-N 3.31Å; Q202-M204 PolarHBondContact O-N 3.29Å; M204-F208 PolarHBondContact O-N 3.2Å
205L57.2Low49.4Very low102 Ų102129.9 Ų129.953%0.53465%0.651SS.*Hα-helixtrans-66.4-38.2171.2-90.3156000112.9L201 Q202 N207 F208L201-L205 PolarHBondContact O-N 2.86Å; Q202-L205 PolarHBondContact O-N 3.49Å; L205-N207 PolarHBondContact O-N 2.92Å; L205-F208 PolarHBondContact O-N 3.17Å
206Q58.3Low48.4Very low115 Ų115128.2 Ų128.254%0.53765%0.65SS.*Hα-helixtrans-62.3-42.8177.5-155.376.461.300111.8Q202 R203 F208 Q209Q202-Q206 PolarHBondContact O-N 3.01Å; R203-Q206 PolarHBondContact O-N 3.43Å; Q206-F208 PolarHBondContact O-N 3.3Å; Q206-Q209 PolarHBondContact O-N 3.45Å
207N52.8Low47.3Very low116 Ų116127.6 Ų127.662%0.6266%0.656SS**Hα-helixtrans-65.4-35.8179-77.3-10.9000112.9R203 L205 Q209 Q210R203-N207 PolarHBondContact O-N 2.77Å; R203-N207 VanDerWaalsContact O-N 3.15Å; L205-N207 PolarHBondContact O-N 2.92Å; N207-Q209 VanDerWaalsContact C-N 3.33Å; N207-Q209 PolarHBondContact O-N 3.49Å; N207-Q210 PolarHBondContact O-N 2.86Å
208F42.9Very low46.1Very low170 Ų170130.9 Ų130.975%0.74668%0.676SS**Hα-helixtrans-69.1-29.2-178.3-119-87.1000113.3M204 L205 Q206 Q210M204-F208 PolarHBondContact O-N 3.2Å; L205-F208 PolarHBondContact O-N 3.17Å; Q206-F208 PolarHBondContact O-N 3.3Å; F208-Q210 VanDerWaalsContact C-N 3.34Å
209Q53.5Low44.8Very low151 Ų151131 Ų13171%0.70669%0.686SS**Hα-helixtrans-79.1-14.5178.6-64.3-173.516.200113.9Q206 N207Q206-Q209 PolarHBondContact O-N 3.45Å; N207-Q209 VanDerWaalsContact C-N 3.33Å; N207-Q209 PolarHBondContact O-N 3.49Å
210Q49.3Very low43.4Very low149 Ų149134.1 Ų134.170%0.69670%0.704SS**Hα-helixtrans-90.6-9.8176.4-65.4-171.5-2.300113.4N207 F208 E212N207-Q210 PolarHBondContact O-N 2.86Å; F208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-E212 PolarHBondContact O-N 3.45Å
211A42.3Very low42.2Very low84 Ų84132.8 Ų132.869%0.69471%0.712SS**THydrogen-bonded Turntrans-80.7-8-17900000114.8
212E35.3Very low40.9Very low175 Ų175135 Ų13582%0.81873%0.725SS**THydrogen-bonded Turntrans-120.535.2-170.3-148.7-175.2-164.200115.1Q210Q210-E212 PolarHBondContact O-N 3.45Å
213R34.5Very low39.4Very low225 Ų225134.9 Ų134.985%0.84973%0.728SS**SBendtrans-138.6136.4159.6-72.2-164.3176.7-1761.2112.6
214T28.5Very low37.8Very low136 Ų136133.4 Ų133.483%0.83473%0.732SS**  trans67.5130.4-173.1-4.40000112.2
215V29Very low36.5Very low133 Ų133132.9 Ų132.981%0.80674%0.735SS**  cis-117.8123.619.3178.90000112.7
216G28.3Very low35Very low66 Ų66134.5 Ų134.568%0.6875%0.745SS**SBendtrans-12272.7166.800000111.2
217T28.1Very low33.5Very low125 Ų125136.6 Ų136.677%0.76775%0.754SS**  trans71.8137.9-179.8-22.80000115.9
218S24.8Very low32.4Very low118 Ų118139 Ų13983%0.82576%0.761SS**  -169.5156.3128.9-82.50000111.6
219T27.1Very low31.6Very low139 Ų139138.9 Ų138.985%0.85376%0.763SS**  trans-84162.3177.9-40.20000111.1A221T219-A221 PolarHBondContact O-N 2.93Å
220I29.7Very low30Very low167 Ų167139.6 Ų139.686%0.85677%0.769SS**  trans-64.5123.3175.2-60.2164.4000111.5
221A27.5Very low29.6Very low85 Ų85137.2 Ų137.270%0.70277%0.766SS**  trans-167135.5147.200000110.6T219T219-A221 PolarHBondContact O-N 2.93Å
222N30.8Very low28.7Very low162 Ų162139 Ų13987%0.86677%0.768SS**  trans-98.8170.1161.2-51.9-35.4000107.4
223N29.9Very low28.1Very low128 Ų128137 Ų13768%0.68477%0.768SS**  cis-158.7-169.918.257.14.3000112
224I28.6Very low27.8Very low135 Ų135132.8 Ų132.869%0.69276%0.758SS**  trans81.2107.6147.7-80.7174.8000120.4
225T27.2Very low27.9Very low110 Ų110132 Ų13268%0.67576%0.755SS**  92.4112.6123.6-65.70000123.6
226N27.1Very low27.6Very low136 Ų136134.2 Ų134.273%0.72775%0.75SS**  trans73.4141.6137.8-82-13.3000126.5
227Q25.9Very low28Very low158 Ų158136.5 Ų136.574%0.73875%0.753SS**  trans81.3103137-80.6177.82.900122.6
228H30.8Very low27.7Very low167 Ų167141.7 Ų141.777%0.77376%0.759SS**  72.6151.4111.6-8783.7000123.2
229Q25.4Very low27.7Very low167 Ų167141.5 Ų141.578%0.7875%0.753SS**  trans84.5154.2161.9-116.265.316.400121
230M20Very low27.5Very low167 Ų167142 Ų14282%0.82375%0.75SS**  trans-144.3-179.7-163.7-82.3-93.4-78.400106.4
231P41Very low27.3Very low98 Ų98139.6 Ų139.664%0.63674%0.743SS**  cis-137.9-160.3-20.225.60.3000113.8
232V24.1Very low27.3Very low123 Ų123141.8 Ų141.875%0.74575%0.748SS**  trans70.6129.3157.1-1360000117
233T22.8Very low27.3Very low133 Ų133143.8 Ų143.882%0.81675%0.749SS**  -179158.864.8-43.80000111.6
234Q28.1Very low27.1Very low136 Ų136147.9 Ų147.964%0.63676%0.76SS**  trans-90.2173.4171.9-92.7-170.24.800111.9Y236Q234-Y236 PolarHBondContact NE2-OH 3.18Å; Q234-Y236 VanDerWaalsContact NE2-OH 3.08Å; Q234-Y236 PolarHBondContact OE1-OH 3.28Å
235P30.6Very low27.2Very low120 Ų120145.1 Ų145.178%0.77977%0.766SS**  cis-150.2-164.438.743-18.9000118.7
236Y21.2Very low27.6Very low178 Ų178144 Ų14470%0.69876%0.762SS**  trans-83.1-167.6-170.3-45.2-89.1000115.3Q234Q234-Y236 PolarHBondContact NE2-OH 3.18Å; Q234-Y236 VanDerWaalsContact NE2-OH 3.08Å; Q234-Y236 PolarHBondContact OE1-OH 3.28Å
237P38.2Very low27.9Very low115 Ų115144 Ų14475%0.74776%0.762SS**  -135.3170.5-55.233.1-16000114.5
238R21.3Very low28.3Very low234 Ų234140.7 Ų140.788%0.88376%0.761SS**  trans-164.3140.4132.7-118.5176.2-179.4169.40.9116.2
239T24.9Very low28.5Very low114 Ų114137.2 Ų137.270%0.69975%0.745SS**  trans7.1128.1153.851.70000120.3
240D23.1Very low28.8Very low148 Ų148135.4 Ų135.479%0.79174%0.737SS**  -161149.3109.7-113.5-24.1000117.7
241T24.4Very low29.4Very low117 Ų117134.6 Ų134.672%0.71873%0.729SS**  trans14.5146.6160.757.90000126.8
242V28.9Very low29.2Very low131 Ų131135.3 Ų135.379%0.79473%0.726SS**  trans78.2121.4140.9168.10000121.9
243K29.4Very low30.1Very low204 Ų204134.7 Ų134.789%0.88772%0.719SS**  trans-39126.4167.1-56171.2179.9-179.90114.5
244K27.1Very low30.5Very low214 Ų214134.4 Ų134.493%0.9371%0.712SS**  trans-95.8122.3156.3-73.6179179.2172.80109
245G30.5Very low31Very low78 Ų78137 Ų13780%0.80472%0.716SS**  trans172.818.9-177.300000117.2
246S35.5Very low31.2Very low86 Ų86137.2 Ų137.260%0.60171%0.705SS**  trans-149.9111173.1-174.90000110.7
247L33.8Very low31.7Very low137 Ų137135.9 Ų135.972%0.71771%0.71SS**SBendtrans-166.7-30.9167.7-159.767.4000111.5
248A32.4Very low31.6Very low88 Ų88135.9 Ų135.973%0.72770%0.696SS**THydrogen-bonded Turntrans-69.7-30.5177.300000113.2
249E36.3Very low32.3Very low94 Ų94132.8 Ų132.844%0.43970%0.697SS.*THydrogen-bonded Turntrans-88.7-31.4-174.1-56.6-162121.600113.1K119 K251 L252K119-E249 WeakPolarHBondContact CE-OE1 3.42Å; E249-K251 PolarHBondContact O-N 3.04Å; E249-K251 VanDerWaalsContact O-N 3.13Å; E249-L252 PolarHBondContact O-N 3.33Å
250Q31.7Very low32.9Very low128 Ų128133.6 Ų133.660%0.59870%0.697SS**Hα-helixtrans-53.9-33.6170.9-103.8177-22.500112.3L252 L253 D254Q250-L252 PolarHBondContact O-N 2.84Å; Q250-L253 PolarHBondContact O-N 3.5Å; Q250-D254 PolarHBondContact O-N 2.94Å
251K32.3Very low33.3Very low151 Ų151135 Ų13566%0.65770%0.698SS**Hα-helixtrans-74.60.3-178.9-144.6177.1-176.7-176.20114.9E249E249-K251 PolarHBondContact O-N 3.04Å; E249-K251 VanDerWaalsContact O-N 3.13Å
252L37.3Very low34.1Very low112 Ų112134.3 Ų134.359%0.58670%0.696SS**Hα-helixtrans-100.2-18.4169.6-74.2174.3000113.6E249 Q250E249-L252 PolarHBondContact O-N 3.33Å; Q250-L252 PolarHBondContact O-N 2.84Å
253L42.5Very low34.2Very low111 Ų111137.6 Ų137.658%0.58170%0.703SS**Hα-helixtrans-87.1-33.8178.6-159.264.2000111.6Q250 R255Q250-L253 PolarHBondContact O-N 3.5Å; L253-R255 PolarHBondContact O-N 3.16Å
254D31.6Very low34.4Very low126 Ų126135.3 Ų135.367%0.67470%0.7SS**THydrogen-bonded Turntrans-71.143.1-177.9-161.450.2000114.5Q250Q250-D254 PolarHBondContact O-N 2.94Å
255R37.3Very low34.5Very low190 Ų190134.1 Ų134.172%0.71770%0.7SS**THydrogen-bonded Turntrans-141.110.3176.3-152.1169.8-180168.2-2.6113.9L253L253-R255 PolarHBondContact O-N 3.16Å
256F36.1Very low34.6Very low125 Ų125135.2 Ų135.255%0.54870%0.702SS.*SBendtrans-118.647.1164.3-79.1-92.9000109.3Y258F256-Y258 WeakPolarHBondContact O-CD2 3.05Å
257D31.5Very low34.2Very low150 Ų150139.4 Ų139.480%0.80271%0.714SS**  trans-65.3146.8173.5-157.73000110.3
258Y36.5Very low33.9Very low116 Ų116138.7 Ų138.746%0.45572%0.72SS.*  trans-106.7125.3-168.1-99.9-108.5000111.2Q72 F256 D260Q72-Y258 VanDerWaalsContact CD-OH 3.26Å; Q72-Y258 PolarHBondContact NE2-OH 2.78Å; Q72-Y258 PolarHBondContact OE1-OH 3.07Å; F256-Y258 WeakPolarHBondContact O-CD2 3.05Å; Y258-D260 VanDerWaalsContact C-N 3.28Å; Y258-D260 WeakPolarHBondContact CD1-OD2 3.41Å; Y258-D260 PolarHBondContact O-N 3.15Å
259D35.2Very low33.8Very low169 Ų169143.4 Ų143.490%0.90473%0.727SS**  trans-83.773.3176.9-150.46.4000109
260D37.4Very low33.4Very low131 Ų131142.8 Ų142.870%0.70175%0.747SS**  trans-132.279.1179.5-85.1-51.5000109.7Y258Y258-D260 VanDerWaalsContact C-N 3.28Å; Y258-D260 WeakPolarHBondContact CD1-OD2 3.41Å; Y258-D260 PolarHBondContact O-N 3.15Å
261E31.7Very low33.2Very low177 Ų177143.6 Ų143.683%0.82776%0.755SS**  trans-104.6141.4165.3-88.4-77.2139.700110.2
262P41.4Very low33.2Very low103 Ų103143.3 Ų143.367%0.66976%0.759SS**  trans-92.7120.9-172.934.2-32.7000113.8D264P262-D264 PolarHBondContact O-N 3.06Å
263E30.9Very low32.7Very low200 Ų200144.6 Ų144.694%0.93576%0.762SS**  trans-87.485.2171.4-69.5-165.2153.500112.7
264D34.1Very low32Very low155 Ų155144.3 Ų144.383%0.82977%0.765SS**  trans-91.4101.6161.3-89.2-39.9000110.4P262P262-D264 PolarHBondContact O-N 3.06Å
265M29.2Very low31.8Very low189 Ų189145.7 Ų145.793%0.93177%0.767SS**  trans-150.2133.2156.7-96.9-158.6-73.600113
266A31.2Very low31.4Very low102 Ų102143.3 Ų143.384%0.84377%0.767SS**  trans-84.8151.3175.800000112.2
267M27.3Very low31.1Very low173 Ų173145.2 Ų145.285%0.85278%0.783SS**  trans-84.5154.3-178.7-58-156.3-53.100113.8
268S28.4Very low30.8Very low122 Ų122144.8 Ų144.885%0.85378%0.779SS**  trans-144.4112.4156.5660000110.3
269E30.3Very low30.7Very low187 Ų187145.2 Ų145.287%0.87480%0.796SS**  trans-106.5153.6172.8-78.1-162.6124.800112.3
270G27.8Very low30.6Very low82 Ų82143.1 Ų143.185%0.84579%0.789SS**  trans-144.8115.7170.900000109.5
271N27.8Very low30.3Very low145 Ų145143.7 Ų143.778%0.77579%0.791SS**  trans-103.2-177.7-162.4-169.47.1000112.6
272I30.9Very low30.3Very low145 Ų145142.7 Ų142.774%0.74479%0.791SS**  trans120.9131.4151.1-65.7165.7000114.8
273Q26.9Very low29.8Very low138 Ų138143.3 Ų143.365%0.64580%0.797SS**  cis-171.8141.3-19.7-168.2158.1-28.100112.8
274T28.7Very low30Very low106 Ų106142.4 Ų142.465%0.6579%0.792SS**  trans60.1152.2158.7480000120.2
275H27.4Very low29.9Very low155 Ų155140.5 Ų140.572%0.71879%0.792SS**  cis-138.214026.9-92.9-102.4000115.7
276I29.1Very low30.1Very low140 Ų140137.9 Ų137.972%0.71879%0.786SS**  trans48.6103.8137.1-51.7175.6000120.5
277L28.8Very low30.1Very low165 Ų165140.1 Ų140.186%0.86478%0.783SS**  -174.9164.5103.6-119.1151.8000111.1
278L26Very low30.3Very low140 Ų140139.6 Ų139.673%0.73378%0.783SS**  trans-96.6150.2-166.6-66.3164.6000113.2V280L278-V280 HydrophobicContact CD2-CG2 4.16Å
279P35.2Very low30.1Very low125 Ų125137.4 Ų137.481%0.81278%0.779SS**  -134.5167.284.839-28.1000114.9
280V32.3Very low30.1Very low125 Ų125134 Ų13476%0.75877%0.77SS**  trans-108.6123.9-174.2177.80000112.2L278L278-V280 HydrophobicContact CD2-CG2 4.16Å
281I30.9Very low30Very low143 Ų143136.8 Ų136.873%0.73377%0.771SS**  trans-145.4129.7172.2-69.2-173.1000110.4
282L31.7Very low29.9Very low157 Ų157136.5 Ų136.582%0.82277%0.769SS**  trans65.4156.6169.6-66.5167.2000115.7
283S31.5Very low29.7Very low115 Ų115139 Ų13980%0.80477%0.774SS**  cis-145.1-176.533.8-60.30000115.2
284H35.3Very low29.7Very low181 Ų181139.7 Ų139.784%0.83878%0.778SS**  trans-100.7162.4-179.6-133.2-127.9000111.7
285S30.9Very low29.6Very low116 Ų116141.5 Ų141.581%0.81178%0.782SS**  trans72.5150.6174.486.10000115.4
286V33.1Very low29.6Very low134 Ų134141.3 Ų141.381%0.81278%0.781SS**  cis-163164.3-0.894.40000107.7
287L32.4Very low29.5Very low148 Ų148142 Ų14278%0.77579%0.785SS**  cis-141.7-78.7-3.8179.865.3000112.5
288L30.9Very low29.3Very low163 Ų163138.4 Ų138.485%0.85377%0.773SS**  trans-157.7140.6-170.9-81.3160000109.1
289G23.5Very low29.5Very low75 Ų75140.7 Ų140.777%0.77378%0.777SS**  trans176.666.7-18000000118.5
290V30.5Very low29Very low115 Ų115142.8 Ų142.870%0.69778%0.78SS**  trans14.2121.5155.7-173.80000120.4L292V290-L292 HydrophobicContact CG1-CB 4.06Å; V290-L292 HydrophobicContact CG1-CD1 3.76Å; V290-L292 HydrophobicContact CG1-CG 3.55Å
291V26.3Very low28.6Very low141 Ų141143 Ų14386%0.85578%0.782SS**  trans-135.4100.2140.9178.30000105.2
292L26.7Very low29.2Very low139 Ų139141.1 Ų141.173%0.72878%0.778SS**  49.581.968.8-82.4172.5000113.6V290 E294V290-L292 HydrophobicContact CG1-CB 4.06Å; V290-L292 HydrophobicContact CG1-CD1 3.76Å; V290-L292 HydrophobicContact CG1-CG 3.55Å; L292-E294 PolarHBondContact O-N 3.13Å
293F26Very low29Very low197 Ų197141.6 Ų141.686%0.86477%0.774SS**  trans-82.6100.6164.3-147.9-89.4000108.6I295F293-I295 HydrophobicContact CD1-CG1 4.47Å; F293-I295 PolarHBondContact O-N 2.96Å
294E25.7Very low28.7Very low154 Ų154143 Ų14372%0.7277%0.767SS**  trans-62.3118.1171.8-101.7-80.7129.300109.9L292L292-E294 PolarHBondContact O-N 3.13Å
295I27.3Very low28.3Very low144 Ų144142.5 Ų142.574%0.73877%0.768SS**  trans-99.797.1163.6-64-176.7000107.7F293 I297F293-I295 HydrophobicContact CD1-CG1 4.47Å; F293-I295 PolarHBondContact O-N 2.96Å; I295-I297 PolarHBondContact O-N 3.2Å
296H26.7Very low28.6Very low151 Ų151141.6 Ų141.670%0.69976%0.759SS**  trans-66.1122.8-178.8-164.473000111.3
297I28.4Very low28.4Very low154 Ų154140 Ų14079%0.7975%0.753SS**  trans-89.1121.5171.4-68.2-178000110I295I295-I297 PolarHBondContact O-N 3.2Å
298S24.6Very low28.2Very low89 Ų89139.5 Ų139.562%0.62275%0.751SS**  trans-148.5102.7155.1-89.40000112.2
299K30Very low28.1Very low188 Ų188138.1 Ų138.182%0.81774%0.743SS**  trans43.4120.2145.9-56.5172.8-176.31730118.6
300I25.5Very low28.2Very low170 Ų170143.1 Ų143.187%0.87274%0.743SS**  -164.6163.6113.2-97.8153.6000109.7
301V23.3Very low27.9Very low130 Ų130141.1 Ų141.179%0.78874%0.735SS**  trans-138.3162.2-163.5162.90000106.5
302P42.4Very low27.8Very low102 Ų102142.6 Ų142.666%0.66273%0.732SS**  cis-129.5177.32.423.21.7000115.2
303K27.9Very low27.7Very low168 Ų168140 Ų14073%0.7373%0.726SS**  173.3142.2102.4-96.7-172.8168.3-113.90115.3
304E25.4Very low27.6Very low143 Ų143137.2 Ų137.267%0.66872%0.72SS**  trans37.6116.7155.8-70.5149.1-119.900119.8
305M26.1Very low27.5Very low172 Ų172139.8 Ų139.885%0.84772%0.724SS**  63.4147.757.6-69.9-93.1-84.800114.1
306P38.7Very low27.3Very low96 Ų96137 Ų13762%0.62372%0.718SS**  cis-129.2134.4-6.939.5-23.3000113.6
307S27.7Very low27.2Very low100 Ų100137 Ų13770%0.69972%0.723SS**  74-173.9107.789.70000115.2
308L28.5Very low27Very low138 Ų138134.9 Ų134.972%0.72372%0.722SS**  cis-158.2134.139.8-17262.7000113.3
309I29.1Very low27Very low134 Ų134143.1 Ų143.169%0.68774%0.739SS**  trans68.3140.2154-77.4174.6000117.8
310K26.2Very low26.7Very low180 Ų180138.1 Ų138.178%0.78374%0.742SS**  cis-138.4153.2-2.7-134.8167.8-164174.30113.1
311S23.8Very low26.7Very low73 Ų73133.6 Ų133.651%0.5174%0.737SS.*  trans-78.3170160.4490000111.9
312E23.4Very low26.9Very low173 Ų173134.1 Ų134.181%0.80874%0.735SS**  trans68.6147.4150.6-70.8151.2137.400118.7
313S24.6Very low26.1Very low85 Ų85137.2 Ų137.259%0.59474%0.738SS**  cis-169.4178.2-13.751.10000110.6
314N23.7Very low26Very low137 Ų137135.2 Ų135.273%0.73374%0.736SS**  trans79127.2150-66.1-26.6000121.2
315Y23.8Very low26.1Very low208 Ų208134 Ų13482%0.81674%0.743SS**  trans64.3107.9135-87.9-100.2000122.4
316S23.2Very low26.1Very low85 Ų85130.1 Ų130.159%0.59473%0.733SS**  73124.5122.1710000122.4
317N25Very low25.5Very low151 Ų151134 Ų13481%0.80774%0.742SS**  trans84.8146.2138.4-60.7-12.3000121.5
318S25.4Very low25.3Very low110 Ų110134.4 Ų134.477%0.76974%0.743SS**  trans58108.3155.3-64.40000121.7
319W23.8Very low25.1Very low262 Ų262134.8 Ų134.899%0.99275%0.746SS**  24119.8116.6-76.257.6000119.1
320G24.3Very low25Very low84 Ų84133.9 Ų133.987%0.86675%0.747SS**  trans130139.4134.800000117.7
321G25.5Very low25Very low75 Ų75136.9 Ų136.977%0.77375%0.753SS**  trans109.573.2144.800000120.5
322N26.1Very low25.1Very low141 Ų141139.5 Ų139.575%0.75476%0.761SS**  58141.5118.8-143.910.1000122.6
323K26.9Very low25Very low166 Ų166138.5 Ų138.572%0.72276%0.761SS**  trans72.1163162-51.7-161.9177.3-176.40119.6
324D25.6Very low26.1Very low127 Ų127139.1 Ų139.168%0.67976%0.762SS**  cis-171.3145.1-41-89.8-33.6000108.5
325S26.2Very low26.4Very low118 Ų118139.7 Ų139.783%0.82577%0.765SS**  trans62.6164.7158.4-87.20000118.4
326S26.8Very low26.4Very low90 Ų90140.1 Ų140.163%0.62977%0.767SS**  cis-169.7153-12.143.10000110.2
327H26.6Very low27.6Very low178 Ų178141.2 Ų141.282%0.82477%0.772SS**  177.6162.4122.8-113.3-95.3000113.8
328C22.3Very low27.7Very low107 Ų107141 Ų14172%0.72377%0.771SS**  trans-144.7156.8179.2-57.80000113.7
329N25.9Very low27.9Very low146 Ų146146.4 Ų146.478%0.78177%0.774SS**  trans65.6112.4147.7-63.9-16000124.3
330V25.8Very low28.1Very low116 Ų116138.8 Ų138.870%0.70376%0.761SS**  54.6130.6114.7179.30000122
331W25.9Very low28.2Very low242 Ų242142.2 Ų142.292%0.91776%0.759SS**  trans-144.5-162.8147.6-88.8107.3000112.1
332L25.9Very low28.2Very low129 Ų129146.6 Ų146.668%0.67576%0.761SS**  trans-147.5138.5-148.9-95.6155.3000118
333L21.8Very low28.2Very low152 Ų152147.9 Ų147.980%0.79677%0.765SS**  trans44.6172.9144.3-105.566.7000121.7
334P48.2Very low28.4Very low97 Ų97145.6 Ų145.663%0.6377%0.767SS**  cis-139.6-165.4-16.235.3-11.7000117
335D30.1Very low28.4Very low149 Ų149145.4 Ų145.480%0.79778%0.776SS**  trans115.9157.5148.6-69.7-33.7000124.1
336Y23.4Very low29Very low218 Ų218148.3 Ų148.386%0.85578%0.776SS**  trans-117.8-175.2-156.2-90.3-95.5000113.9
337P48Very low29.1Very low108 Ų108151.7 Ų151.770%0.70179%0.786SS**  cis-142179.17.542.4-22.1000120.3
338N28.1Very low29.5Very low145 Ų145152.4 Ų152.478%0.77579%0.787SS**  trans87.9110.6142.9-97.4-35.1000126.7
339R29.1Very low29.7Very low224 Ų224151.8 Ų151.885%0.84578%0.783SS**  77.3111.4126.2-151.5174.2-156.1-122.54.6125
340S26.6Very low30.2Very low102 Ų102153.7 Ų153.771%0.71379%0.787SS**  trans68.6142.4154.4-64.90000119
341L27.1Very low30Very low156 Ų156159.5 Ų159.582%0.81780%0.797SS**  cis-132.6156.914.8-73.1168.3000113.6
342M25.2Very low30.5Very low168 Ų168151.6 Ų151.683%0.82878%0.783SS**  trans30.7103.6157.3-60.7-167.877.700119.5
343M25.7Very low30.6Very low167 Ų167151.5 Ų151.582%0.82379%0.788SS**  89.5133.174.4-84-76.3-16700114.9
344P31.2Very low30.8Very low119 Ų119151 Ų15177%0.77379%0.785SS**  cis-108.6161-24.938.5-27.6000112.2
345S26.1Very low29.9Very low123 Ų123154.1 Ų154.186%0.8680%0.796SS**  trans-128158.3-175.7-52.80000112.8
346E38.9Very low29.8Very low178 Ų178157 Ų15783%0.83280%0.801SS**  trans-85.1-178.6-173.6-62.2-163137.100115.4
347L29Very low30Very low161 Ų161151.1 Ų151.184%0.84380%0.798SS**  trans106.5172.5155.5-62.6169.8000118.4
348F34.7Very low29Very low193 Ų193151.5 Ų151.585%0.84680%0.803SS**  trans-114.9156.3-135.1-121.6-108.3000114.7
349C27.2Very low29.1Very low95 Ų95151.9 Ų151.964%0.64281%0.805SS**  trans83.4117152.5-1140000122.6
350Q35.8Very low29.1Very low185 Ų185150 Ų15086%0.86481%0.806SS**  trans67.4128.4135.4-73.2174.7-200122.9
351R22.5Very low29.2Very low238 Ų238152.8 Ų152.890%0.89881%0.811SS**  trans-135.8146.7154.9-175.366.7-176.4-162.9-0108.6
352A36.7Very low29.2Very low76 Ų76150.1 Ų150.163%0.62881%0.812SS**  trans-126.2-170.4-177.600000112.5
353T26.3Very low29.4Very low127 Ų127148.4 Ų148.478%0.77981%0.806SS**  trans83.2147.6-173.477.20000113.9
354I27.4Very low29.5Very low143 Ų143148.8 Ų148.873%0.73381%0.806SS**  cis-138.6135.616.7-68172.3000113
355N27.9Very low29.3Very low161 Ų161149.2 Ų149.286%0.86181%0.807SS**  trans44.6164.9150.8-63.8-20.1000126.3
356K29.7Very low29.4Very low209 Ų209149.4 Ų149.491%0.90980%0.802SS**  trans-97.6156.2-166.4-51.1167.9178.31740115.1
357A27.3Very low28.8Very low96 Ų96148.3 Ų148.379%0.79380%0.797SS**  trans-167.7160.813600000109
358S27.4Very low28.6Very low115 Ų115147.6 Ų147.680%0.80479%0.793SS**  cis-159.6167.3-37.6-92.90000108.1
359L30.3Very low28.2Very low154 Ų154142.6 Ų142.681%0.80679%0.787SS**  trans-76.4155.8179.9-66.676.7000112.1
360Q29Very low28Very low185 Ų185143 Ų14386%0.86479%0.79SS**  177.4124.7108.4-94.4163.3-77.400116.1
361L27.8Very low27.4Very low159 Ų159140.7 Ų140.783%0.83278%0.784SS**  42.1110.9127.4-138.978.7000122.3
362A27.4Very low27.6Very low100 Ų100134.4 Ų134.483%0.82678%0.776SS**  168.2166.2129.100000111
363N28.3Very low27.1Very low133 Ų133139 Ų13971%0.71179%0.785SS**  -175.3145.1-65.5-124.6-5.8000106.3
364Q27.5Very low27.8Very low175 Ų175138.1 Ų138.182%0.81878%0.781SS**  trans68.4128.9169.9-60.8165.1-6.900116.5
365T28.1Very low27.7Very low128 Ų128134.9 Ų134.979%0.78578%0.776SS**  cis107.3151.212.1-56.40000113.8
366V28.9Very low28Very low126 Ų126133.6 Ų133.676%0.76476%0.76SS**  trans92.9129176-176.30000114.5
367H25.9Very low28.8Very low155 Ų155128.9 Ų128.972%0.71875%0.75SS**  cis-163.1162.4-13.1-121.2-158.6000113.8
368L25.4Very low29.2Very low147 Ų147129.2 Ų129.277%0.7774%0.743SS**  trans67136.6144.4-72.7165.9000125.3
369A24.8Very low29.5Very low88 Ų88128.2 Ų128.273%0.72773%0.725SS**  trans68.2146.514200000120.8
370C23.3Very low30.1Very low104 Ų104126.9 Ų126.970%0.70371%0.709SS**  cis-165.2157.7-22.1-121.40000111.1
371N24.4Very low30.6Very low136 Ų136126.2 Ų126.273%0.72770%0.699SS**  trans58.3112.1148.3-60.6-2.2000119.4
372S25.7Very low31.2Very low105 Ų105125.3 Ų125.373%0.73469%0.685SS**  64.2139.498.9750000115.6
373E27Very low31.8Very low174 Ų174124.6 Ų124.681%0.81366%0.664SS**  cis-164.6-15821.4-141.5-163.5131.900108.3
374P39.9Very low32.6Very low108 Ų108119.8 Ų119.870%0.70164%0.636SS**  -107.8169.1-63.7173.9000113.3
375A25.5Very low33.4Very low75 Ų75118.9 Ų118.962%0.6263%0.629SS**  trans-106.1138.5166.900000112.2
376Y34.7Very low34.1Very low134 Ų134117.6 Ų117.653%0.52562%0.617SS.*  trans153.5149.4138.8-81.5-39000114.6E379Y376-E379 HydrophobicContact CD1-CB 4.21Å; Y376-E379 HydrophobicContact CE1-CB 3.42Å; Y376-E379 VanDerWaalsContact CE1-CB 3.42Å; Y376-E379 HydrophobicContact CE1-CG 3.61Å; Y376-E379 PolarHBondContact OH-OE2 3.49Å
377P45.5Very low34.8Very low109 Ų109114.2 Ų114.271%0.70860%0.595SS**SBendcis-146.794.646.439.7-17.1000118.7
378T36.6Very low35.7Very low104 Ų104110.1 Ų110.164%0.63857%0.574SS**SBendtrans-118.1-40163.6-27.80000112.9R380T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 3.21Å
379E34.2Very low36.3Very low93 Ų93111.5 Ų111.544%0.43557%0.573SS.*THydrogen-bonded Turntrans-72.6-24-175.4-59.3-170.561.200113.9Y376 R381 R382 E383Y376-E379 HydrophobicContact CD1-CB 4.21Å; Y376-E379 HydrophobicContact CE1-CB 3.42Å; Y376-E379 VanDerWaalsContact CE1-CB 3.42Å; Y376-E379 HydrophobicContact CE1-CG 3.61Å; Y376-E379 PolarHBondContact OH-OE2 3.49Å; E379-R381 PolarHBondContact O-N 3.09Å; E379-R382 CarbonylContact O-C 3.42Å; E379-R382 WeakPolarHBondContact O-CA 3.25Å; E379-R382 WeakPolarHBondContact O-CB 3.31Å; E379-R382 PolarHBondContact O-N 3.18Å; E379-E383 WeakPolarHBondContact O-CB 3.47Å; E379-E383 PolarHBondContact O-N 3.15Å
380R41.2Very low36.8Very low126 Ų126111.1 Ų111.148%0.47556%0.564SS.*Hα-helixtrans-52.3-35.5-178.1-155177.4-65.5-156.14112.2T378 W384T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 3.21Å; R380-W384 PolarHBondContact O-N 2.77Å
381R40.3Very low37.6Very low171 Ų171111.4 Ų111.465%0.64555%0.551SS**Hα-helixtrans-71.5-30175-167.6-174-72.9-89.91.7113.5E16 E379E16-R381 IonicContact OE1-CZ 3.26Å; E16-R381 IonicContact OE1-NH1 2.68Å; E16-R381 PolarHBondContact OE1-NH1 3.16Å; E16-R381 IonicContact OE1-NH2 2.96Å; E16-R381 PolarHBondContact OE1-NH2 2.7Å; E379-R381 PolarHBondContact O-N 3.09Å
382R39.9Very low38.1Very low141 Ų141112 Ų11253%0.53255%0.551SS.*Hα-helixtrans-79.2-44.4172.4-59-173.9-148.9128.82.2111.5E379 W384 K385 N386E379-R382 CarbonylContact O-C 3.42Å; E379-R382 WeakPolarHBondContact O-CA 3.25Å; E379-R382 WeakPolarHBondContact O-CB 3.31Å; E379-R382 PolarHBondContact O-N 3.18Å; R382-W384 VanDerWaalsContact C-N 3.29Å; R382-W384 PolarHBondContact O-N 3.08Å; R382-K385 CarbonylContact O-C 3.47Å; R382-K385 WeakPolarHBondContact O-CA 3.39Å; R382-K385 WeakPolarHBondContact O-CB 3.33Å; R382-K385 PolarHBondContact O-N 3.26Å; R382-N386 PolarHBondContact O-N 2.89Å
383E40.7Very low38.6Very low84 Ų84111.7 Ų111.739%0.39355%0.549SS..Hα-helixtrans-53.6-46.1179.6-163.4-146.4-179.100111K53 E379 K385 N386 L387K53-E383 IonicContact NZ-OE1 2.71Å; K53-E383 PolarHBondContact NZ-OE1 3.14Å; K53-E383 IonicContact NZ-OE2 3.14Å; K53-E383 PolarHBondContact NZ-OE2 3.36Å; E379-E383 WeakPolarHBondContact O-CB 3.47Å; E379-E383 PolarHBondContact O-N 3.15Å; E383-K385 VanDerWaalsContact C-N 3.35Å; E383-K385 PolarHBondContact O-N 2.97Å; E383-N386 PolarHBondContact O-N 2.88Å; E383-L387 HydrophobicContact CG-CD1 4.12Å; E383-L387 VanDerWaalsContact O-CB 3.22Å; E383-L387 WeakPolarHBondContact O-CB 3.43Å; E383-L387 WeakPolarHBondContact O-CD1 3.23Å; E383-L387 VanDerWaalsContact O-CG 3.28Å; E383-L387 WeakPolarHBondContact O-CG 3.36Å; E383-L387 PolarHBondContact O-N 3.03Å
384W45.3Very low38.6Very low32 Ų32114 Ų11412%0.12155%0.55CS.*Hα-helixtrans-60.5-35.4174.2-87.2120.5000114.7F12 I15 K49 K53 R380 R382F12-W384 HydrophobicContact CE1-CB 3.64Å; F12-W384 AromaticContact CE1-CD2 3.69Å; F12-W384 HydrophobicContact CE1-CD2 3.69Å; F12-W384 AromaticContact CE1-CE3 3.81Å; F12-W384 HydrophobicContact CE1-CE3 3.81Å; F12-W384 AromaticContact CE1-CG 3.66Å; F12-W384 HydrophobicContact CE1-CG 3.66Å; F12-W384 HydrophobicContact CZ-CB 3.89Å; F12-W384 HydrophobicContact CZ-CD2 4.21Å; F12-W384 AromaticContact CZ-CE3 3.92Å; F12-W384 HydrophobicContact CZ-CE3 3.92Å; F12-W384 HydrophobicContact CZ-CG 4.25Å; I15-W384 HydrophobicContact CD1-CZ2 4.12Å; K49-W384 HydrophobicContact CD-CZ3 4.28Å; K49-W384 HydrophobicContact CG-CH2 4.15Å; K49-W384 HydrophobicContact CG-CZ3 3.94Å; K49-W384 WeakPolarHBondContact O-CH2 3.42Å; K53-W384 HydrophobicContact CB-CH2 3.89Å; K53-W384 HydrophobicContact CB-CZ2 3.34Å; K53-W384 HydrophobicContact CD-CH2 4.22Å; K53-W384 HydrophobicContact CD-CZ2 3.93Å; K53-W384 HydrophobicContact CG-CZ2 4.25Å; R380-W384 PolarHBondContact O-N 2.77Å; R382-W384 VanDerWaalsContact C-N 3.29Å; R382-W384 PolarHBondContact O-N 3.08Å
385K44Very low38.1Very low156 Ų156115.9 Ų115.968%0.67856%0.555SS**Hα-helixtrans-75.6-42.2174.8-69.4-175.6175.9-173.20111.3R382 E383 L387 Y388R382-K385 CarbonylContact O-C 3.47Å; R382-K385 WeakPolarHBondContact O-CA 3.39Å; R382-K385 WeakPolarHBondContact O-CB 3.33Å; R382-K385 PolarHBondContact O-N 3.26Å; E383-K385 VanDerWaalsContact C-N 3.35Å; E383-K385 PolarHBondContact O-N 2.97Å; K385-L387 VanDerWaalsContact C-N 3.29Å; K385-L387 PolarHBondContact O-N 3.21Å; K385-Y388 WeakPolarHBondContact O-CB 3.49Å; K385-Y388 PolarHBondContact O-N 3.43Å
386N42.8Very low38.4Very low101 Ų101120.2 Ų120.254%0.5456%0.564SS.*Hα-helixtrans-66.1-32.4178.4-71-6.6000111.8R382 E383 Y388 K389 P390R382-N386 PolarHBondContact O-N 2.89Å; E383-N386 PolarHBondContact O-N 2.88Å; N386-Y388 PolarHBondContact O-N 2.79Å; N386-K389 PolarHBondContact O-N 3.5Å; N386-P390 WeakPolarHBondContact O-CD 3.47Å
387L43.2Very low38.1Very low55 Ų55123.7 Ų123.729%0.28858%0.578SS.*THydrogen-bonded Turntrans-63.81.9173.9-87.3165.2000115.3K49 K53 E383 K385K49-L387 PolarHBondContact NZ-O 3.25Å; K53-L387 VanDerWaalsContact NZ-CD1 3.32Å; E383-L387 HydrophobicContact CG-CD1 4.12Å; E383-L387 VanDerWaalsContact O-CB 3.22Å; E383-L387 WeakPolarHBondContact O-CB 3.43Å; E383-L387 WeakPolarHBondContact O-CD1 3.23Å; E383-L387 VanDerWaalsContact O-CG 3.28Å; E383-L387 WeakPolarHBondContact O-CG 3.36Å; E383-L387 PolarHBondContact O-N 3.03Å; K385-L387 VanDerWaalsContact C-N 3.29Å; K385-L387 PolarHBondContact O-N 3.21Å
388Y45.7Very low37.4Very low70 Ų70125 Ų12528%0.27558%0.583SS.*THydrogen-bonded Turntrans-90.5-28.2167.7-160-85.4000112.8Y5 L8 K385 N386Y5-Y388 HydrophobicContact CD1-CE2 4.15Å; Y5-Y388 HydrophobicContact CE1-CD1 4.5Å; Y5-Y388 HydrophobicContact CE1-CD2 4.24Å; Y5-Y388 HydrophobicContact CE1-CE1 4.04Å; Y5-Y388 AromaticContact CE1-CE2 3.73Å; Y5-Y388 HydrophobicContact CE1-CE2 3.73Å; Y5-Y388 AromaticContact CE1-CZ 3.63Å; Y5-Y388 HydrophobicContact CE2-CE1 4.36Å; Y5-Y388 AromaticContact CE2-CZ 3.94Å; Y5-Y388 WeakPolarHBondContact CE2-OH 3.39Å; Y5-Y388 AromaticContact CZ-CE1 3.63Å; Y5-Y388 AromaticContact CZ-CZ 3.44Å; Y5-Y388 VanDerWaalsContact CZ-CZ 3.44Å; Y5-Y388 VanDerWaalsContact OH-CE1 3.23Å; Y5-Y388 WeakPolarHBondContact OH-CE1 3.43Å; L8-Y388 HydrophobicContact CD1-CD2 3.85Å; L8-Y388 HydrophobicContact CD1-CE2 3.66Å; K385-Y388 WeakPolarHBondContact O-CB 3.49Å; K385-Y388 PolarHBondContact O-N 3.43Å; N386-Y388 PolarHBondContact O-N 2.79Å
389K38.5Very low36.9Very low175 Ų175128.4 Ų128.476%0.76159%0.592SS**SBendtrans-69.8-45.3-175.1-76.3-170.9173.1-1730114.7N386 Y391N386-K389 PolarHBondContact O-N 3.5Å; K389-Y391 PolarHBondContact O-N 3.16Å
390P34.8Very low36.6Very low81 Ų81130.9 Ų130.953%0.52661%0.608SS.*G310 helixtrans-69.2-17-177.6-22.334000114.8N386 M392 S393N386-P390 WeakPolarHBondContact O-CD 3.47Å; P390-M392 PolarHBondContact O-N 3.29Å; P390-S393 PolarHBondContact O-N 3.4Å
391Y40Very low36Very low109 Ų109134.2 Ų134.243%0.42763%0.626SS.*G310 helixtrans-8716.6-168.9-149.5-101000114.7H42 Q45 K389H42-Y391 AromaticContact CE1-CE1 3.84Å; H42-Y391 AromaticContact ND1-CE1 3.74Å; Q45-Y391 VanDerWaalsContact NE2-CE2 3.31Å; Q45-Y391 PolarHBondContact NE2-OH 3.5Å; Q45-Y391 VanDerWaalsContact OE1-CE1 3.23Å; Q45-Y391 PolarHBondContact OE1-OH 3.47Å; K389-Y391 PolarHBondContact O-N 3.16Å
392M35.1Very low35.2Very low150 Ų150131.3 Ų131.374%0.73963%0.631SS**G310 helixtrans-109.78.4167-60.5-91.866.100112.1P390P390-M392 PolarHBondContact O-N 3.29Å
393S35Very low34.5Very low98 Ų98130.6 Ų130.669%0.68564%0.642SS**  trans-112.918.9-171.6-167.70000114.4P390P390-S393 PolarHBondContact O-N 3.4Å
394W27.4Very low34.1Very low221 Ų221136 Ų13684%0.83766%0.664SS**  trans-122.174.6179.6-78.5103000111.3
395D30.4Very low33.7Very low149 Ų149140.5 Ų140.580%0.79770%0.698SS**  trans-81172155.5-85.1-52.4000110.8
396M30.6Very low32.8Very low166 Ų166136.3 Ų136.382%0.81870%0.699SS**  trans64.974.6174.1-160.7173.473.600116.5
397Y28.5Very low32.1Very low207 Ų207141.8 Ų141.881%0.81272%0.718SS**  -156.881.2126.1-118.9-73.2000111.4
398V31.7Very low31.2Very low136 Ų136147.7 Ų147.782%0.82475%0.746SS**  trans-131.1118.8163176.10000106.6
399Q26.4Very low30.4Very low175 Ų175149.3 Ų149.382%0.81877%0.768SS**  trans-77123176.1-160.2882.300108.7
400D26.8Very low29.9Very low146 Ų146146.1 Ų146.178%0.78176%0.763SS**  trans-98.9123.7-168.4-168.720.1000113.4
401K28Very low29.6Very low195 Ų195149.8 Ų149.885%0.84878%0.778SS**  trans-164.4133.4161.7-71.8-154.7-178.6-175.30107.5
402C24.4Very low29Very low110 Ų110151.7 Ų151.774%0.74380%0.795SS**  cis-144.6159.32.7-94.80000111.1
403T26.1Very low28.7Very low126 Ų126153.7 Ų153.777%0.77380%0.8SS**  trans-94.6163.815552.60000109
404K31.3Very low28.2Very low197 Ų197153.7 Ų153.786%0.85780%0.8SS**  -169.6-171.762.9-119.2178.2-173.2172.70110.2
405P36.9Very low28.4Very low127 Ų127148.8 Ų148.883%0.82579%0.794SS**  trans-134.4-172.2-132.145.1-26.3000117.7
406G25.6Very low28.1Very low69 Ų69149.4 Ų149.471%0.71179%0.792SS**  trans136.1146161.100000113.3
407K28.3Very low28Very low216 Ų216146.6 Ų146.694%0.93979%0.789SS**  cis-145.2-174.510.2-71.2-178.3176.6177.60111.6
408M24.8Very low27.8Very low178 Ų178142.2 Ų142.288%0.87779%0.788SS**  trans-103.4151.4-171.1-58.8154.462.200114.3
409S27.1Very low27.7Very low105 Ų105142 Ų14273%0.73479%0.793SS**  trans-171.5115.7134.3-158.80000106.7
410T28.4Very low27.7Very low107 Ų107141 Ų14166%0.65679%0.793SS**  47.2108.17059.20000114.8
411D28.2Very low27.8Very low158 Ų158138.8 Ų138.885%0.84579%0.789SS**  -156.8174.4108.4-122.9-41.3000112.7
412L28.5Very low27.8Very low149 Ų149132.7 Ų132.778%0.7878%0.775SS**  trans-140.9172-166.8-74.2168000114.4
413K28.8Very low28.1Very low193 Ų193137.4 Ų137.484%0.83978%0.779SS**  trans75.9158167.3-61.5168.5-177.7172.80115.5
414S25.1Very low28.3Very low98 Ų98141.3 Ų141.369%0.68579%0.785SS**  cis-154.4136.4-3.8-117.90000108.4
415V30Very low28Very low117 Ų117137.2 Ų137.271%0.70978%0.781SS**  82.3120.878.41680000114.9
416E25.7Very low28.5Very low163 Ų163136.1 Ų136.176%0.76277%0.774SS**  trans58161.8158.4-108.462.7-156.500120.8
417S27.6Very low28.7Very low106 Ų106144.1 Ų144.174%0.74178%0.783SS**  cis-147.1171.7-4.2-27.40000113.3
418S25Very low29Very low115 Ų115145.9 Ų145.980%0.80478%0.784SS**  trans-47.8156169.5-46.30000118.6
419S28.3Very low29.5Very low131 Ų131148.7 Ų148.792%0.91678%0.784SS**  trans-158.2164136.5-86.50000111.9
420N26.7Very low29.7Very low156 Ų156154.6 Ų154.683%0.83479%0.79SS**  trans-129.3170.3-160.2-165.83000112.5
421S30Very low29.9Very low99 Ų99154.1 Ų154.169%0.69279%0.792SS**  trans75165172.181.10000118.5
422A28.2Very low30.2Very low67 Ų67157.5 Ų157.555%0.55479%0.793SS**  -171174.1-63.600000112.3
423Y29.1Very low30.4Very low208 Ų208155.9 Ų155.982%0.81679%0.793SS**  trans78.1141.7159.5-27.3-75000121.6
424K29.9Very low30.4Very low208 Ų208151.7 Ų151.790%0.90479%0.788SS**  trans83154.3157.4-64.7-179.3179.9177.40119.6
425S26.5Very low30.8Very low111 Ų111151.5 Ų151.578%0.77679%0.787SS**  trans-148.9-169.1-159.254.40000109
426P47.2Very low31Very low104 Ų104157.2 Ų157.268%0.67580%0.796SS**  cis-129.9-168.9-26.533.3-13.2000113.4
427R30.4Very low31.5Very low237 Ų237153.1 Ų153.189%0.89479%0.786SS**  trans73.4119.9162.2-61.4171.8167.3177.4-3.1119.6
428R34Very low31.8Very low254 Ų254158.5 Ų158.596%0.95879%0.79SS**  -160.7150.7109.3-120.2172.1174152-1.7113.9
429R34.5Very low32Very low236 Ų236165.6 Ų165.689%0.89180%0.799SS**  trans-77.5149.1174-65.4169.6168.7162.4-7.1111.1
430R32.3Very low32.4Very low229 Ų229162.6 Ų162.686%0.86478%0.778SS**  trans-149.897.7142.8-151.9175.4-169.195.5-9.2111.5
431S33Very low32.9Very low98 Ų98166 Ų16669%0.68578%0.779SS**  trans-89.1150167.846.70000110.7
432R33.4Very low33.3Very low229 Ų229169.6 Ų169.686%0.86479%0.785SS**  trans-159.5153.5149.2-110.3157.3-169157.35.1110.1
433S32.4Very low34.2Very low114 Ų114177.7 Ų177.780%0.79780%0.801SS**  trans-127.1163.8-159.8-38.70000110.6
434S29.5Very low34.6Very low105 Ų105178 Ų17873%0.73480%0.801SS**  168.4135.9112.7-1690000113
435S33.4Very low35.2Very low95 Ų95173.3 Ų173.366%0.66479%0.794SS**  trans56.3125.3147.8-56.30000120.4
436R33.8Very low35.8Very low236 Ų236179.1 Ų179.189%0.89180%0.799SS**  64.8131.561-66175.7173.5170-2.6112.7
437S36.9Very low35.4Very low78 Ų78179.6 Ų179.655%0.54581%0.805SS.*  cis-176.9173.2-0.2510000112.7
438R33.9Very low35.9Very low219 Ų219178.7 Ų178.783%0.82680%0.801SS**  trans80.6110.6158.6-58.3171.9179.9107-9.5119.1
439W29Very low36.2Very low263 Ų263172.2 Ų172.2100%0.99678%0.782SS**  -124.4168108-149.4-86.6000108.7
440S36.4Very low36.3Very low68 Ų68168 Ų16848%0.47677%0.772SS.*  trans-139.1157.5-168.880.60000115.6
441R37.8Very low36.6Very low229 Ų229166 Ų16686%0.86477%0.765SS**  trans66.8104.8161.8-54.4165.4-164.7152.22.1117.5
442H37.6Very low36.7Very low174 Ų174169.4 Ų169.481%0.80676%0.763SS**  -133.8117116.8-158.891.2000110.4
443R47.2Very low37Very low237 Ų237166.3 Ų166.389%0.89475%0.751SS**  trans-131.899.9-179.7-164.2-170-156.6-154.89.2108.7
444R38.6Very low37.2Very low213 Ų213164.6 Ų164.680%0.80474%0.739SS**  trans-155.6133.7167.8-108.7154-172.9140.52.1111.9
445S40.6Very low37.5Very low110 Ų110165 Ų16577%0.76973%0.725SS**  trans43.786.2158.651.90000120.3
446R39.2Very low38.1Very low233 Ų233164.5 Ų164.588%0.87972%0.717SS**  trans-122.67.4151.6-83.4-172.7172.2143.8-0.7115R448R446-R448 VanDerWaalsContact C-N 3.26Å; R446-R448 PolarHBondContact O-N 2.88Å; R446-R448 VanDerWaalsContact O-N 3.11Å
447S38.7Very low38.4Very low114 Ų114157 Ų15780%0.79770%0.701SS**THydrogen-bonded Turntrans-73.91.5-172-159.30000116.4
448R42.4Very low38.9Very low218 Ų218156.2 Ų156.282%0.82370%0.696SS**THydrogen-bonded Turntrans-100.5-20.9-173.6-73.7-177.4175.5147.5-2115.2R446R446-R448 VanDerWaalsContact C-N 3.26Å; R446-R448 PolarHBondContact O-N 2.88Å; R446-R448 VanDerWaalsContact O-N 3.11Å
449E40.2Very low39.9Very low119 Ų119150.4 Ų150.456%0.55668%0.678SS**SBendtrans-85.1-34.5-170.6-161.8161.1173.700113.7R451 W452 R453E449-R451 PolarHBondContact O-N 3.17Å; E449-W452 PolarHBondContact O-N 2.95Å; E449-W452 VanDerWaalsContact O-N 3.16Å; E449-R453 PolarHBondContact O-N 3.36Å
450H36.6Very low41.3Very low148 Ų148141.8 Ų141.869%0.68565%0.651SS**Hα-helixtrans-56.4-35173.9-68.5-85000112.6W452 R453 S454H450-W452 PolarHBondContact O-N 2.86Å; H450-W452 VanDerWaalsContact O-N 3.16Å; H450-R453 PolarHBondContact O-N 3.05Å; H450-S454 PolarHBondContact O-N 3.11Å; H450-S454 VanDerWaalsContact O-N 3.12Å; H450-S454 PolarHBondContact O-OG 2.93Å
451R38.7Very low42.6Very low186 Ų186144.5 Ų144.570%0.70266%0.657SS**Hα-helixtrans-65.7-17.6-177.8-153.1174.1-159.3144.54.5114.1E449E449-R451 PolarHBondContact O-N 3.17Å
452W35.4Very low44.1Very low169 Ų169136.2 Ų136.264%0.6463%0.633SS**Hα-helixtrans-95.4-44.5176.4-64.3108.2000112.1E449 H450 S454 R455 T456E449-W452 PolarHBondContact O-N 2.95Å; E449-W452 VanDerWaalsContact O-N 3.16Å; H450-W452 PolarHBondContact O-N 2.86Å; H450-W452 VanDerWaalsContact O-N 3.16Å; W452-S454 VanDerWaalsContact C-N 3.29Å; W452-S454 PolarHBondContact O-N 3.26Å; W452-R455 PolarHBondContact O-N 3.24Å; W452-R455 VanDerWaalsContact O-N 3.13Å; W452-T456 PolarHBondContact O-N 2.74Å
453R39.1Very low45.7Very low165 Ų165132 Ų13262%0.62362%0.617SS**Hα-helixtrans-61.1-36.5176.4-75-166.6177.8-1492112.6E449 H450 R455 S457E449-R453 PolarHBondContact O-N 3.36Å; H450-R453 PolarHBondContact O-N 3.05Å; R453-R455 VanDerWaalsContact C-N 3.34Å; R453-R455 PolarHBondContact O-N 2.98Å; R453-S457 PolarHBondContact O-N 2.9Å
454S35.9Very low47.1Very low78 Ų78127.3 Ų127.355%0.54560%0.599SS.*Hα-helixtrans-63.9-35.9175.2-62.50000113.2H450 W452 S458H450-S454 PolarHBondContact O-N 3.11Å; H450-S454 VanDerWaalsContact O-N 3.12Å; H450-S454 PolarHBondContact O-OG 2.93Å; W452-S454 VanDerWaalsContact C-N 3.29Å; W452-S454 PolarHBondContact O-N 3.26Å; S454-S458 VanDerWaalsContact O-CB 3.27Å; S454-S458 WeakPolarHBondContact O-CB 3.35Å; S454-S458 PolarHBondContact O-N 3.17Å; S454-S458 PolarHBondContact O-OG 3.49Å; S454-S458 VanDerWaalsContact O-OG 3.1Å
455R37.1Very low48.9Very low114 Ų114120.4 Ų120.443%0.4358%0.576SS.*Hα-helixtrans-64-56.9-179.8-80.7176.2169156-8111.6W452 R453 S457 S458 E459W452-R455 PolarHBondContact O-N 3.24Å; W452-R455 VanDerWaalsContact O-N 3.13Å; R453-R455 VanDerWaalsContact C-N 3.34Å; R453-R455 PolarHBondContact O-N 2.98Å; R455-S457 VanDerWaalsContact C-N 3.27Å; R455-S457 PolarHBondContact O-N 3.29Å; R455-S458 WeakPolarHBondContact CA-OG 3.42Å; R455-S458 CarbonylContact O-C 3.57Å; R455-S458 WeakPolarHBondContact O-CA 3.03Å; R455-S458 PolarHBondContact O-N 2.93Å; R455-S458 PolarHBondContact O-OG 2.83Å; R455-E459 WeakPolarHBondContact O-CG 3.27Å; R455-E459 PolarHBondContact O-N 2.91Å
456T44.3Very low50.7Low84 Ų84119.6 Ų119.652%0.51556%0.559SS.*Hα-helixtrans-64.4-30.7-177.7-36.90000113.1W452 E459 D460W452-T456 PolarHBondContact O-N 2.74Å; T456-E459 VanDerWaalsContact CA-OE2 3.24Å; T456-E459 WeakPolarHBondContact CA-OE2 3.4Å; T456-D460 VanDerWaalsContact O-CB 3.26Å; T456-D460 WeakPolarHBondContact O-CB 3.39Å; T456-D460 PolarHBondContact O-N 3.23Å; T456-D460 VanDerWaalsContact O-N 3.12Å
457S40Very low52.5Low77 Ų77111 Ų11154%0.53853%0.53SS..Hα-helixtrans-73-32.8171.5-163.10000112.8R453 R455 Q461R453-S457 PolarHBondContact O-N 2.9Å; R455-S457 VanDerWaalsContact C-N 3.27Å; R455-S457 PolarHBondContact O-N 3.29Å; S457-Q461 VanDerWaalsContact O-CB 3.25Å; S457-Q461 WeakPolarHBondContact O-CB 3.43Å; S457-Q461 PolarHBondContact O-N 3.44Å; S457-Q461 VanDerWaalsContact O-N 3.11Å
458S49Very low54.4Low63 Ų63112.3 Ų112.344%0.44152%0.518SS..Hα-helixtrans-76.4-30.2175.268.70000113S454 R455 S462S454-S458 VanDerWaalsContact O-CB 3.27Å; S454-S458 WeakPolarHBondContact O-CB 3.35Å; S454-S458 PolarHBondContact O-N 3.17Å; S454-S458 PolarHBondContact O-OG 3.49Å; S454-S458 VanDerWaalsContact O-OG 3.1Å; R455-S458 WeakPolarHBondContact CA-OG 3.42Å; R455-S458 CarbonylContact O-C 3.57Å; R455-S458 WeakPolarHBondContact O-CA 3.03Å; R455-S458 PolarHBondContact O-N 2.93Å; R455-S458 PolarHBondContact O-OG 2.83Å; S458-S462 WeakPolarHBondContact O-CA 3.43Å; S458-S462 WeakPolarHBondContact O-CB 3.41Å; S458-S462 PolarHBondContact O-N 2.73Å
459E54.6Low56.3Low97 Ų97106.1 Ų106.145%0.45350%0.498SS..Hα-helixtrans-68.1-52.8173.5-71.8152-176.800109.6R455 T456 Q461 S462 D463R455-E459 WeakPolarHBondContact O-CG 3.27Å; R455-E459 PolarHBondContact O-N 2.91Å; T456-E459 VanDerWaalsContact CA-OE2 3.24Å; T456-E459 WeakPolarHBondContact CA-OE2 3.4Å; E459-Q461 PolarHBondContact O-N 2.7Å; E459-Q461 VanDerWaalsContact O-N 3.17Å; E459-S462 PolarHBondContact O-N 3.42Å; E459-D463 PolarHBondContact O-N 3.26Å
460D58.7Low58.5Low82 Ų82100.8 Ų100.844%0.43947%0.473SS..Hα-helixtrans-66.7-15.8176.9-169.850.2000113.1T456 R464T456-D460 VanDerWaalsContact O-CB 3.26Å; T456-D460 WeakPolarHBondContact O-CB 3.39Å; T456-D460 PolarHBondContact O-N 3.23Å; T456-D460 VanDerWaalsContact O-N 3.12Å; D460-R464 VanDerWaalsContact CG-CZ 3.44Å; D460-R464 WeakPolarHBondContact O-CD 3.41Å; D460-R464 VanDerWaalsContact O-CG 3.32Å; D460-R464 WeakPolarHBondContact O-CG 3.26Å; D460-R464 PolarHBondContact O-NH1 3.33Å; D460-R464 IonicContact OD1-CZ 3.57Å; D460-R464 IonicContact OD1-NH1 2.71Å; D460-R464 IonicContact OD1-NH2 3.23Å; D460-R464 PolarHBondContact OD1-NH2 3.33Å; D460-R464 IonicContact OD2-CZ 2.65Å; D460-R464 IonicContact OD2-NH1 2.98Å; D460-R464 PolarHBondContact OD2-NH1 3.29Å; D460-R464 IonicContact OD2-NH2 2.75Å; D460-R464 PolarHBondContact OD2-NH2 3.06Å
461Q62.3Low60.7Low125 Ų125101.3 Ų101.358%0.58447%0.469SS*.Hα-helixtrans-88.4-41.9167.1-177.1172.5-9.300112.1S457 E459 R464 E465S457-Q461 VanDerWaalsContact O-CB 3.25Å; S457-Q461 WeakPolarHBondContact O-CB 3.43Å; S457-Q461 PolarHBondContact O-N 3.44Å; S457-Q461 VanDerWaalsContact O-N 3.11Å; E459-Q461 PolarHBondContact O-N 2.7Å; E459-Q461 VanDerWaalsContact O-N 3.17Å; Q461-R464 PolarHBondContact O-N 3.47Å; Q461-E465 PolarHBondContact O-N 3.34Å
462S70.6Confident62.6Low54 Ų5498.4 Ų98.438%0.37846%0.463SS..Hα-helixtrans-62.3-41.9178179.70000111.3S458 E459 R464 E465 K466S458-S462 WeakPolarHBondContact O-CA 3.43Å; S458-S462 WeakPolarHBondContact O-CB 3.41Å; S458-S462 PolarHBondContact O-N 2.73Å; E459-S462 PolarHBondContact O-N 3.42Å; S462-R464 VanDerWaalsContact C-N 3.32Å; S462-R464 PolarHBondContact O-N 3.43Å; S462-E465 CarbonylContact O-C 3.51Å; S462-E465 PolarHBondContact O-N 3.48Å; S462-E465 VanDerWaalsContact O-N 3.07Å; S462-K466 WeakPolarHBondContact O-CG 3.5Å; S462-K466 PolarHBondContact O-N 3.07Å; S462-K466 WeakPolarHBondContact OG-CE 3.24Å
463D71.6Confident64.7Low87 Ų8795.1 Ų95.147%0.46545%0.453SS..Hα-helixtrans-66.9-34.3177.2-68.1-20.8000111.9E459 E465 K466 D467E459-D463 PolarHBondContact O-N 3.26Å; D463-E465 VanDerWaalsContact C-N 3.31Å; D463-K466 IonicContact OD1-NZ 3.77Å; D463-K466 PolarHBondContact OD1-NZ 2.67Å; D463-D467 VanDerWaalsContact O-CB 3.3Å; D463-D467 WeakPolarHBondContact O-CB 3.34Å; D463-D467 PolarHBondContact O-N 3Å
464R75.4Confident66.7Low138 Ų13887.5 Ų87.552%0.52143%0.427SS..Hα-helixtrans-68.5-30.3170.7-69.3177.9-172.2113.19.8112.6D460 Q461 S462 R468D460-R464 VanDerWaalsContact CG-CZ 3.44Å; D460-R464 WeakPolarHBondContact O-CD 3.41Å; D460-R464 VanDerWaalsContact O-CG 3.32Å; D460-R464 WeakPolarHBondContact O-CG 3.26Å; D460-R464 PolarHBondContact O-NH1 3.33Å; D460-R464 IonicContact OD1-CZ 3.57Å; D460-R464 IonicContact OD1-NH1 2.71Å; D460-R464 IonicContact OD1-NH2 3.23Å; D460-R464 PolarHBondContact OD1-NH2 3.33Å; D460-R464 IonicContact OD2-CZ 2.65Å; D460-R464 IonicContact OD2-NH1 2.98Å; D460-R464 PolarHBondContact OD2-NH1 3.29Å; D460-R464 IonicContact OD2-NH2 2.75Å; D460-R464 PolarHBondContact OD2-NH2 3.06Å; Q461-R464 PolarHBondContact O-N 3.47Å; S462-R464 VanDerWaalsContact C-N 3.32Å; S462-R464 PolarHBondContact O-N 3.43Å; R464-R468 VanDerWaalsContact O-CG 3.27Å; R464-R468 WeakPolarHBondContact O-CG 3.34Å; R464-R468 PolarHBondContact O-N 3.13Å
465E76.1Confident69.2Low67 Ų6784.8 Ų84.831%0.31341%0.406SS..Hα-helixtrans-78.4-41.1176.3-150.660.4-124.900111.9Q461 S462 D463 D467 R468 E469Q461-E465 PolarHBondContact O-N 3.34Å; S462-E465 CarbonylContact O-C 3.51Å; S462-E465 PolarHBondContact O-N 3.48Å; S462-E465 VanDerWaalsContact O-N 3.07Å; D463-E465 VanDerWaalsContact C-N 3.31Å; E465-D467 VanDerWaalsContact C-N 3.26Å; E465-D467 PolarHBondContact O-N 2.88Å; E465-R468 VanDerWaalsContact CD-CD 3.5Å; E465-R468 CarbonylContact O-C 3.54Å; E465-R468 WeakPolarHBondContact O-CA 3.31Å; E465-R468 WeakPolarHBondContact O-CB 3.3Å; E465-R468 PolarHBondContact O-N 3.34Å; E465-R468 WeakPolarHBondContact OE1-CD 3.36Å; E465-R468 IonicContact OE1-NH1 2.61Å; E465-R468 WeakPolarHBondContact OE2-CD 3.38Å; E465-R468 IonicContact OE2-CZ 3.62Å; E465-R468 IonicContact OE2-NE 3.95Å; E465-R468 IonicContact OE2-NH1 2.86Å; E465-R468 PolarHBondContact OE2-NH1 3.09Å; E465-E469 PolarHBondContact O-N 3.2Å
466K78.4Confident71.4Confident93 Ų9380 Ų8040%0.40439%0.389SS..Hα-helixtrans-54.3-45.5167.2-67168.9-158.7162.20110.7S462 D463 R468 E469 R470S462-K466 WeakPolarHBondContact O-CG 3.5Å; S462-K466 PolarHBondContact O-N 3.07Å; S462-K466 WeakPolarHBondContact OG-CE 3.24Å; D463-K466 IonicContact OD1-NZ 3.77Å; D463-K466 PolarHBondContact OD1-NZ 2.67Å; K466-R468 VanDerWaalsContact C-N 3.28Å; K466-R468 PolarHBondContact O-N 3.44Å; K466-E469 PolarHBondContact O-N 3.16Å; K466-R470 WeakPolarHBondContact O-CB 3.4Å; K466-R470 VanDerWaalsContact O-CG 3.27Å; K466-R470 WeakPolarHBondContact O-CG 3.42Å; K466-R470 PolarHBondContact O-N 2.91Å
467D76.9Confident73.2Confident53 Ų5378.8 Ų78.828%0.28338%0.384SS..Hα-helixtrans-69-26179.3-148.852.2000112.3D463 E465 R471D463-D467 VanDerWaalsContact O-CB 3.3Å; D463-D467 WeakPolarHBondContact O-CB 3.34Å; D463-D467 PolarHBondContact O-N 3Å; E465-D467 VanDerWaalsContact C-N 3.26Å; E465-D467 PolarHBondContact O-N 2.88Å; D467-R471 WeakPolarHBondContact O-CD 3.43Å; D467-R471 WeakPolarHBondContact O-CG 3.47Å; D467-R471 PolarHBondContact O-N 2.93Å; D467-R471 PolarHBondContact O-NE 3.42Å; D467-R471 IonicContact OD2-CZ 3.65Å; D467-R471 VanDerWaalsContact OD2-CZ 3.27Å; D467-R471 IonicContact OD2-NE 2.67Å; D467-R471 PolarHBondContact OD2-NE 3.41Å; D467-R471 IonicContact OD2-NH2 3.94Å; D467-R471 PolarHBondContact OD2-NH2 3.46Å
468R80.1Confident75.2Confident142 Ų14279.2 Ų79.254%0.53638%0.38SS..Hα-helixtrans-71.6-47.8167-74.6163.3172.9-177.4-5.6111.7R464 E465 K466 R470 R471 Q472R464-R468 VanDerWaalsContact O-CG 3.27Å; R464-R468 WeakPolarHBondContact O-CG 3.34Å; R464-R468 PolarHBondContact O-N 3.13Å; E465-R468 VanDerWaalsContact CD-CD 3.5Å; E465-R468 CarbonylContact O-C 3.54Å; E465-R468 WeakPolarHBondContact O-CA 3.31Å; E465-R468 WeakPolarHBondContact O-CB 3.3Å; E465-R468 PolarHBondContact O-N 3.34Å; E465-R468 WeakPolarHBondContact OE1-CD 3.36Å; E465-R468 IonicContact OE1-NH1 2.61Å; E465-R468 WeakPolarHBondContact OE2-CD 3.38Å; E465-R468 IonicContact OE2-CZ 3.62Å; E465-R468 IonicContact OE2-NE 3.95Å; E465-R468 IonicContact OE2-NH1 2.86Å; E465-R468 PolarHBondContact OE2-NH1 3.09Å; K466-R468 VanDerWaalsContact C-N 3.28Å; K466-R468 PolarHBondContact O-N 3.44Å; R468-R470 PolarHBondContact O-N 3.12Å; R468-R471 CarbonylContact O-C 3.52Å; R468-R471 PolarHBondContact O-N 2.75Å; R468-Q472 WeakPolarHBondContact O-CG 3.35Å; R468-Q472 PolarHBondContact O-N 2.71Å
469E80.8Confident76.8Confident88 Ų8880.3 Ų80.341%0.41138%0.377SS..Hα-helixtrans-59.1-45.2177.6-76-174.3-141.100112E465 K466 R471 Q472 K473E465-E469 PolarHBondContact O-N 3.2Å; K466-E469 PolarHBondContact O-N 3.16Å; E469-R471 VanDerWaalsContact C-N 3.32Å; E469-R471 PolarHBondContact O-N 2.85Å; E469-Q472 CarbonylContact O-C 3.54Å; E469-Q472 WeakPolarHBondContact O-CA 3.26Å; E469-Q472 WeakPolarHBondContact O-CB 3.5Å; E469-Q472 PolarHBondContact O-N 3.01Å; E469-K473 WeakPolarHBondContact O-CD 3.5Å; E469-K473 VanDerWaalsContact O-CG 3.28Å; E469-K473 WeakPolarHBondContact O-CG 3.5Å; E469-K473 PolarHBondContact O-N 2.98Å; E469-K473 IonicContact OE2-NZ 2.7Å; E469-K473 PolarHBondContact OE2-NZ 3.05Å
470R86.7Confident78Confident6 Ų681.2 Ų81.22%0.02339%0.394CS..Hα-helixtrans-58.5-44.5175.8-73177.463.477.811.1111.1K466 R468 Q472 K473 G474 L475 P476 D602 E604K466-R470 WeakPolarHBondContact O-CB 3.4Å; K466-R470 VanDerWaalsContact O-CG 3.27Å; K466-R470 WeakPolarHBondContact O-CG 3.42Å; K466-R470 PolarHBondContact O-N 2.91Å; R468-R470 PolarHBondContact O-N 3.12Å; R470-Q472 VanDerWaalsContact C-N 3.32Å; R470-Q472 PolarHBondContact O-N 3.47Å; R470-K473 CarbonylContact O-C 3.6Å; R470-K473 WeakPolarHBondContact O-CA 3.32Å; R470-K473 PolarHBondContact O-N 2.82Å; R470-K473 VanDerWaalsContact O-N 3.08Å; R470-G474 PolarHBondContact O-N 3Å; R470-G474 VanDerWaalsContact O-N 3.15Å; R470-L475 HydrophobicContact CB-CB 4.15Å; R470-L475 HydrophobicContact CG-CD1 4.44Å; R470-L475 WeakPolarHBondContact O-CB 3.43Å; R470-L475 PolarHBondContact O-N 3.4Å; R470-P476 PolarHBondContact NH2-O 3.31Å; R470-D602 IonicContact CZ-OD1 3.58Å; R470-D602 IonicContact CZ-OD2 3.78Å; R470-D602 VanDerWaalsContact CZ-OD2 3.26Å; R470-D602 IonicContact NH1-OD1 2.65Å; R470-D602 PolarHBondContact NH1-OD1 2.85Å; R470-D602 IonicContact NH1-OD2 3.03Å; R470-D602 PolarHBondContact NH1-OD2 2.81Å; R470-D602 IonicContact NH2-OD2 4Å; R470-D602 PolarHBondContact NH2-OD2 2.9Å; R470-E604 WeakPolarHBondContact CD-OE2 3.34Å; R470-E604 IonicContact CZ-OE2 3.27Å; R470-E604 IonicContact NE-OE2 3.22Å; R470-E604 IonicContact NH1-OE2 2.62Å; R470-E604 PolarHBondContact NH1-OE2 3.09Å
471R82.5Confident79.2Confident160 Ų16083.3 Ų83.360%0.60440%0.401SS*.Hα-helixtrans-67.8-27.7174.1-65.2164.8-163.9-147.33.7113.4D467 R468 E469 K473D467-R471 WeakPolarHBondContact O-CD 3.43Å; D467-R471 WeakPolarHBondContact O-CG 3.47Å; D467-R471 PolarHBondContact O-N 2.93Å; D467-R471 PolarHBondContact O-NE 3.42Å; D467-R471 IonicContact OD2-CZ 3.65Å; D467-R471 VanDerWaalsContact OD2-CZ 3.27Å; D467-R471 IonicContact OD2-NE 2.67Å; D467-R471 PolarHBondContact OD2-NE 3.41Å; D467-R471 IonicContact OD2-NH2 3.94Å; D467-R471 PolarHBondContact OD2-NH2 3.46Å; R468-R471 CarbonylContact O-C 3.52Å; R468-R471 PolarHBondContact O-N 2.75Å; E469-R471 VanDerWaalsContact C-N 3.32Å; E469-R471 PolarHBondContact O-N 2.85Å; R471-K473 VanDerWaalsContact C-N 3.33Å
472Q79.4Confident80.6Confident124 Ų12478.4 Ų78.458%0.57938%0.38SS*.Hα-helixtrans-75.4-20.1170.4-72.3175.851.700113R468 E469 R470 Q534R468-Q472 WeakPolarHBondContact O-CG 3.35Å; R468-Q472 PolarHBondContact O-N 2.71Å; E469-Q472 CarbonylContact O-C 3.54Å; E469-Q472 WeakPolarHBondContact O-CA 3.26Å; E469-Q472 WeakPolarHBondContact O-CB 3.5Å; E469-Q472 PolarHBondContact O-N 3.01Å; R470-Q472 VanDerWaalsContact C-N 3.32Å; R470-Q472 PolarHBondContact O-N 3.47Å; Q472-Q534 PolarHBondContact O-NE2 2.93Å; Q472-Q534 PolarHBondContact O-OE1 2.86Å
473K79.4Confident81.6Confident100 Ų10075.8 Ų75.844%0.43536%0.362SS..THydrogen-bonded Turntrans-95.73174.5-66.5158.5-178.4163.40112.7E469 R470 R471 L475 Q534E469-K473 WeakPolarHBondContact O-CD 3.5Å; E469-K473 VanDerWaalsContact O-CG 3.28Å; E469-K473 WeakPolarHBondContact O-CG 3.5Å; E469-K473 PolarHBondContact O-N 2.98Å; E469-K473 IonicContact OE2-NZ 2.7Å; E469-K473 PolarHBondContact OE2-NZ 3.05Å; R470-K473 CarbonylContact O-C 3.6Å; R470-K473 WeakPolarHBondContact O-CA 3.32Å; R470-K473 PolarHBondContact O-N 2.82Å; R470-K473 VanDerWaalsContact O-N 3.08Å; R471-K473 VanDerWaalsContact C-N 3.33Å; K473-L475 HydrophobicContact CB-CD1 4.11Å; K473-L475 HydrophobicContact CB-CG 4.11Å; K473-L475 PolarHBondContact O-N 3.09Å; K473-Q534 VanDerWaalsContact C-OE1 3.22Å
474G80.8Confident82.6Confident6 Ų671.7 Ų71.76%0.06234%0.339CS..THydrogen-bonded Turntrans70.913.9-177.400000114.5R470R470-G474 PolarHBondContact O-N 3Å; R470-G474 VanDerWaalsContact O-N 3.15Å
475L88.3Confident83.5Confident21 Ų2165.1 Ų65.111%0.1132%0.315CS..  trans-82.2143.1-179.3-63.9172.3000111.5R470 K473 C486 R533 M600R470-L475 HydrophobicContact CB-CB 4.15Å; R470-L475 HydrophobicContact CG-CD1 4.44Å; R470-L475 WeakPolarHBondContact O-CB 3.43Å; R470-L475 PolarHBondContact O-N 3.4Å; K473-L475 HydrophobicContact CB-CD1 4.11Å; K473-L475 HydrophobicContact CB-CG 4.11Å; K473-L475 PolarHBondContact O-N 3.09Å; L475-C486 HydrophobicContact CD2-CB 4.46Å; L475-R533 HydrophobicContact CD2-CG 4.29Å; L475-M600 HydrophobicContact CD2-SD 4.16Å
476P84.3Confident84.3Confident13 Ų1361.9 Ų61.98%0.08430%0.3CS..  trans-77.5177.6179.334.1-36.4000112.2R470 C486 Q577 V579R470-P476 PolarHBondContact NH2-O 3.31Å; P476-C486 WeakPolarHBondContact CD-SG 3.23Å; P476-Q577 HydrophobicContact CB-CB 4.48Å; P476-V579 HydrophobicContact CB-CG1 4.06Å; P476-V579 HydrophobicContact CG-CB 4.02Å; P476-V579 HydrophobicContact CG-CG1 3.97Å; P476-V579 HydrophobicContact CG-CG2 3.96Å
477S81.2Confident85.1Confident58 Ų5857.5 Ų57.541%0.40628%0.281SS..  trans-67.8134.8173.955.40000111.5Y581S477-Y581 PolarHBondContact O-OH 3.44Å
478L82.3Confident86Confident87 Ų8755.2 Ų55.246%0.45527%0.268SS..  trans-55.7139.9173-67.4168.6000111.2E604 T605L478-E604 HydrophobicContact CD2-CB 3.93Å; L478-T605 HydrophobicContact CD2-CG2 3.41Å; L478-T605 VanDerWaalsContact CD2-CG2 3.41Å
479K82.1Confident86.8Confident86 Ų8648.8 Ų48.837%0.37425%0.245SC..  trans-128.3119.7170.1-69.7-174.1-167161.60109.6T482 Y581K479-T482 WeakPolarHBondContact CB-OG1 3.45Å; K479-T482 PolarHBondContact O-N 3.49Å; K479-T482 PolarHBondContact O-OG1 3.36Å; K479-Y581 HydrophobicContact CB-CD1 4.04Å; K479-Y581 HydrophobicContact CB-CE1 4.02Å; K479-Y581 HydrophobicContact CD-CD1 3.58Å; K479-Y581 HydrophobicContact CD-CD2 4.21Å; K479-Y581 HydrophobicContact CD-CE1 3.54Å; K479-Y581 HydrophobicContact CD-CE2 4.15Å; K479-Y581 HydrophobicContact CD-CG 3.89Å; K479-Y581 HydrophobicContact CG-CD1 4.01Å; K479-Y581 HydrophobicContact CG-CE1 3.66Å
480S79.6Confident87.5Confident116 Ų11644.6 Ų44.681%0.81123%0.226SC*.THydrogen-bonded Turntrans-54.5145.2179.4-47.50000112.2T482S480-T482 PolarHBondContact O-N 3.11Å
481Q85.3Confident88Confident126 Ų12647.9 Ų47.959%0.58924%0.238SC*.THydrogen-bonded Turntrans62.218.1176.9-55-69.8-27.900114.8W584Q481-W584 HydrophobicContact CB-CE3 4.45Å; Q481-W584 PolarHBondContact O-N 3.36Å
482T90.6Very high88.6Confident21 Ų2140.4 Ų40.413%0.12921%0.21CC..EExtended strand (participates in β ladder)trans-132.9140.3176.768.50000111.9K479 S480 I582 W584 T605K479-T482 WeakPolarHBondContact CB-OG1 3.45Å; K479-T482 PolarHBondContact O-N 3.49Å; K479-T482 PolarHBondContact O-OG1 3.36Å; S480-T482 PolarHBondContact O-N 3.11Å; T482-I582 CarbonylContact C-O 3.5Å; T482-I582 WeakPolarHBondContact CA-O 3.43Å; T482-W584 VanDerWaalsContact C-NE1 3.26Å; T482-W584 PolarHBondContact O-NE1 3.08Å; T482-T605 WeakPolarHBondContact O-CB 3.3Å
483L91.7Very high89.2Confident0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-78.9126.5165.5177.360.9000108.6V485 I582 V587 L592 Y595 L601 L606 W610L483-V485 HydrophobicContact CD2-CG2 4.27Å; L483-V485 HydrophobicContact CG-CG2 4.14Å; L483-I582 PolarHBondContact N-O 3.42Å; L483-I582 PolarHBondContact O-N 2.85Å; L483-V587 HydrophobicContact CB-CG2 4.23Å; L483-V587 HydrophobicContact CD2-CG1 3.98Å; L483-V587 HydrophobicContact CD2-CG2 4.06Å; L483-L592 HydrophobicContact CD2-CD1 4.38Å; L483-Y595 HydrophobicContact CD2-CD2 4.46Å; L483-L601 HydrophobicContact CD1-CD2 4.3Å; L483-L601 HydrophobicContact CD2-CD2 4.12Å; L483-L601 HydrophobicContact CG-CD2 4.39Å; L483-L606 HydrophobicContact CD1-CD2 3.83Å; L483-L606 HydrophobicContact CD1-CG 4.45Å; L483-W610 HydrophobicContact CD2-CZ3 4.26Å
484S93.1Very high89.8Confident0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-99.5101.5178.1-61.90000110.5C486 Y581 D602 T605S484-C486 PolarHBondContact O-N 3.42Å; S484-Y581 VanDerWaalsContact OG-CD1 3.31Å; S484-Y581 WeakPolarHBondContact OG-CD1 3.23Å; S484-Y581 VanDerWaalsContact OG-CE1 3.3Å; S484-Y581 WeakPolarHBondContact OG-CE1 3.2Å; S484-D602 WeakPolarHBondContact O-CB 3.18Å; S484-D602 PolarHBondContact O-N 2.77Å; S484-D602 VanDerWaalsContact O-N 3.1Å; S484-T605 PolarHBondContact N-OG1 3.43Å
485V94.3Very high90.4Very high0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-90101.1176.7-169.40000108.8L483 N562 I565 V579 T580 I582 Y595 L601L483-V485 HydrophobicContact CD2-CG2 4.27Å; L483-V485 HydrophobicContact CG-CG2 4.14Å; V485-N562 WeakPolarHBondContact CG1-ND2 3.27Å; V485-I565 HydrophobicContact CB-CD1 4.2Å; V485-I565 HydrophobicContact CG1-CD1 3.94Å; V485-I565 HydrophobicContact CG2-CD1 4.49Å; V485-V579 CarbonylContact O-C 3.37Å; V485-V579 VanDerWaalsContact O-CA 3.28Å; V485-V579 WeakPolarHBondContact O-CA 3.44Å; V485-T580 PolarHBondContact N-O 2.88Å; V485-T580 PolarHBondContact O-N 3.19Å; V485-I582 HydrophobicContact CG2-CD1 3.96Å; V485-I582 HydrophobicContact CG2-CG1 4.46Å; V485-Y595 VanDerWaalsContact CG1-O 3.25Å; V485-Y595 WeakPolarHBondContact CG1-O 3.43Å; V485-Y595 HydrophobicContact CG2-CG 4.36Å; V485-L601 HydrophobicContact CB-CD2 4.43Å; V485-L601 HydrophobicContact CG1-CD2 4.17Å; V485-L601 HydrophobicContact CG2-CD2 3.85Å
486C94Very high90.5Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-89.2115.2-171.7-62.50000110.5L475 P476 S484 T488 R533 G599 M600L475-C486 HydrophobicContact CD2-CB 4.46Å; P476-C486 WeakPolarHBondContact CD-SG 3.23Å; S484-C486 PolarHBondContact O-N 3.42Å; C486-T488 PolarHBondContact O-N 3.16Å; C486-R533 HydrophobicContact CB-CG 4.22Å; C486-G599 CarbonylContact O-C 3.57Å; C486-G599 VanDerWaalsContact O-CA 3.3Å; C486-G599 WeakPolarHBondContact O-CA 3.25Å; C486-M600 HydrophobicContact CB-CG 4.01Å; C486-M600 PolarHBondContact N-O 3.4Å; C486-M600 PolarHBondContact O-N 3.41Å
487S95.1Very high90.6Very high0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-67.7130.7-177.2-174.50000112.1T489 R533 A560 N562 G578S487-T489 PolarHBondContact OG-N 3.47Å; S487-T489 PolarHBondContact OG-O 3.43Å; S487-R533 WeakPolarHBondContact O-CD 3.35Å; S487-R533 VanDerWaalsContact O-CZ 3.28Å; S487-R533 PolarHBondContact O-NE 2.83Å; S487-A560 WeakPolarHBondContact CB-O 3.07Å; S487-A560 PolarHBondContact OG-O 3.13Å; S487-N562 VanDerWaalsContact CB-OD1 3.29Å; S487-N562 WeakPolarHBondContact CB-OD1 3.35Å; S487-G578 PolarHBondContact N-O 3.3Å
488T95.1Very high91Very high5 Ų549.2 Ų49.23%0.03124%0.24CC..  trans-94.1-1.5163.659.60000111.5C486 V529 M530 R533 G598 G599C486-T488 PolarHBondContact O-N 3.16Å; T488-V529 WeakPolarHBondContact OG1-CG1 3.25Å; T488-M530 WeakPolarHBondContact CB-O 3.45Å; T488-M530 PolarHBondContact O-N 2.84Å; T488-M530 VanDerWaalsContact O-N 3.09Å; T488-M530 PolarHBondContact OG1-O 3Å; T488-M530 VanDerWaalsContact OG1-O 3.12Å; T488-R533 HydrophobicContact CG2-CB 4.17Å; T488-G598 PolarHBondContact N-O 2.94Å; T488-G598 VanDerWaalsContact N-O 3.1Å; T488-G598 PolarHBondContact OG1-O 2.61Å; T488-G599 WeakPolarHBondContact OG1-CA 3.42Å; T488-G599 PolarHBondContact OG1-N 2.89Å
489T95.9Very high91.4Very high8 Ų845.7 Ų45.75%0.04922%0.221CC..EExtended strand (participates in β ladder)trans-87.3126.5-178-44.60000111.4S487 Y527 I528 V529 A560 G598S487-T489 PolarHBondContact OG-N 3.47Å; S487-T489 PolarHBondContact OG-O 3.43Å; T489-Y527 HydrophobicContact CG2-CD1 4.46Å; T489-I528 CarbonylContact C-O 3.58Å; T489-I528 WeakPolarHBondContact CA-O 3.34Å; T489-V529 HydrophobicContact CG2-CG2 4.06Å; T489-A560 HydrophobicContact CG2-CB 3.67Å; T489-A560 PolarHBondContact O-N 3.45Å; T489-G598 PolarHBondContact N-O 2.98Å; T489-G598 WeakPolarHBondContact OG1-CA 3.04Å; T489-G598 PolarHBondContact OG1-O 2.92Å
490L96.4Very high91.9Very high0 Ų047.9 Ų47.90%023%0.233CC..EExtended strand (participates in β ladder)trans-105.6142.1173.1-66.5167.2000110.2L508 Y527 I528 M530 A536 A539 L540 I557 W559L490-L508 HydrophobicContact CD1-CD2 4.24Å; L490-Y527 CarbonylContact O-C 3.53Å; L490-Y527 WeakPolarHBondContact O-CA 3.28Å; L490-I528 PolarHBondContact N-O 3.09Å; L490-I528 PolarHBondContact O-N 3.18Å; L490-M530 HydrophobicContact CD1-CG 4.21Å; L490-A536 HydrophobicContact CD1-CB 4.15Å; L490-A536 HydrophobicContact CG-CB 4.26Å; L490-A539 HydrophobicContact CD1-CB 3.91Å; L490-L540 HydrophobicContact CD2-CB 3.92Å; L490-L540 HydrophobicContact CD2-CD1 4.48Å; L490-I557 HydrophobicContact CD1-CD1 4.29Å; L490-I557 HydrophobicContact CD2-CD1 4.5Å; L490-W559 HydrophobicContact CD2-CE3 3.83Å; L490-W559 HydrophobicContact CD2-CH2 3.96Å; L490-W559 HydrophobicContact CD2-CZ3 3.51Å; L490-W559 HydrophobicContact CG-CZ3 4.26Å
491W96.6Very high92.5Very high74 Ų7447.2 Ų47.228%0.2822%0.217SC..EExtended strand (participates in β ladder)trans-99.2126.3164.6172.781000108.7C525 Y527 K556 I557 A558 A560W491-C525 HydrophobicContact CZ2-CB 4.35Å; W491-C525 VanDerWaalsContact NE1-CB 3.35Å; W491-Y527 HydrophobicContact CB-CD1 4.14Å; W491-Y527 HydrophobicContact CB-CE1 3.93Å; W491-Y527 AromaticContact CD1-CE1 3.6Å; W491-Y527 AromaticContact CD1-CZ 3.65Å; W491-Y527 HydrophobicContact CG-CE1 4.14Å; W491-K556 HydrophobicContact CH2-CB 4.5Å; W491-K556 HydrophobicContact CZ3-CB 4.07Å; W491-I557 CarbonylContact O-C 3.51Å; W491-I557 VanDerWaalsContact O-CA 3.29Å; W491-I557 WeakPolarHBondContact O-CA 3.47Å; W491-A558 HydrophobicContact CE3-CB 3.94Å; W491-A558 PolarHBondContact N-O 3.03Å; W491-A558 PolarHBondContact O-N 3.46Å; W491-A560 HydrophobicContact CB-CB 4.15Å
492V94.8Very high92.9Very high4 Ų443.9 Ų43.92%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-114.7118.1169.1-179.30000108.6L495 L508 C525 A526 I528 T555 K556 I557V492-L495 HydrophobicContact CG1-CD2 3.68Å; V492-L508 HydrophobicContact CG2-CD1 4.2Å; V492-C525 CarbonylContact O-C 3.58Å; V492-C525 WeakPolarHBondContact O-CA 3.17Å; V492-C525 VanDerWaalsContact O-CB 3.26Å; V492-C525 WeakPolarHBondContact O-CB 3.23Å; V492-A526 PolarHBondContact N-O 3.17Å; V492-A526 PolarHBondContact O-N 3.29Å; V492-I528 HydrophobicContact CB-CD1 4.02Å; V492-I528 HydrophobicContact CG2-CD1 3.66Å; V492-T555 HydrophobicContact CG1-CG2 4.41Å; V492-K556 CarbonylContact C-O 3.56Å; V492-K556 WeakPolarHBondContact CA-O 3.44Å; V492-I557 HydrophobicContact CG2-CB 4.37Å; V492-I557 HydrophobicContact CG2-CD1 3.92Å; V492-I557 HydrophobicContact CG2-CG1 3.93Å
493G93.4Very high92.9Very high0 Ų044.9 Ų44.90%021%0.213CC..EExtended strand (participates in β ladder)trans-118.5174.2-178.700000113.7L495 G524 T555 K556G493-L495 PolarHBondContact O-N 3.36Å; G493-G524 CarbonylContact C-O 3.38Å; G493-T555 WeakPolarHBondContact O-CA 3.44Å; G493-K556 PolarHBondContact N-O 3.23Å; G493-K556 PolarHBondContact O-N 3.47Å
494Q91.8Very high92.9Very high93 Ų9345 Ų4544%0.43521%0.213SC..SBendtrans64.222.1-174.6-50.5-167.2-44.500114.1G524 K553 K556Q494-G524 PolarHBondContact N-O 3.19Å; Q494-K553 VanDerWaalsContact O-CD 3.25Å; Q494-K553 WeakPolarHBondContact O-CD 3.34Å; Q494-K553 WeakPolarHBondContact O-CE 3.28Å; Q494-K553 PolarHBondContact O-NZ 3.4Å; Q494-K556 HydrophobicContact CG-CD 4.29Å; Q494-K556 HydrophobicContact CG-CG 4.38Å; Q494-K556 VanDerWaalsContact OE1-CE 3.26Å
495L91.8Very high92.9Very high5 Ų548.4 Ų48.43%0.02623%0.23CC..  trans-54.9156.6170.3-57.2-176.1000111.3V492 G493 T499 V504 M519 G524 A526 A550 K553 T555V492-L495 HydrophobicContact CG1-CD2 3.68Å; G493-L495 PolarHBondContact O-N 3.36Å; L495-T499 HydrophobicContact CB-CG2 4.35Å; L495-T499 HydrophobicContact CD1-CG2 4.32Å; L495-T499 HydrophobicContact CD2-CG2 4.26Å; L495-V504 HydrophobicContact CD1-CG2 4.01Å; L495-V504 HydrophobicContact CD2-CG2 4.32Å; L495-M519 HydrophobicContact CD1-CE 4.08Å; L495-G524 PolarHBondContact N-O 3.12Å; L495-A526 HydrophobicContact CD1-CB 3.98Å; L495-A550 HydrophobicContact CD2-CB 4.13Å; L495-K553 PolarHBondContact O-NZ 2.81Å; L495-T555 HydrophobicContact CD2-CG2 3.73Å
496D90.3Very high92.7Very high49 Ų4952.6 Ų52.626%0.26226%0.259SS..  trans-81157.3171.6-172.840.7000111.4K498 T499 K553D496-K498 PolarHBondContact O-N 3.37Å; D496-K498 VanDerWaalsContact OD2-CB 3.29Å; D496-K498 WeakPolarHBondContact OD2-CB 3.44Å; D496-K498 WeakPolarHBondContact OD2-CG 3.35Å; D496-K498 PolarHBondContact OD2-N 3.28Å; D496-K498 VanDerWaalsContact OD2-N 3.16Å; D496-T499 PolarHBondContact N-OG1 2.98Å; D496-T499 VanDerWaalsContact N-OG1 3.08Å; D496-T499 WeakPolarHBondContact O-CB 3.44Å; D496-T499 PolarHBondContact O-N 2.98Å; D496-T499 PolarHBondContact O-OG1 3.29Å; D496-K553 HydrophobicContact CB-CB 4.33Å; D496-K553 HydrophobicContact CB-CD 3.9Å
497K87.8Confident92.4Very high197 Ų19754.1 Ų54.186%0.85727%0.267SS*.THydrogen-bonded Turntrans-62-21.2173.5-67.4-173.7178-176.40112.5
498K88.7Confident92.3Very high163 Ų16354.2 Ų54.271%0.70927%0.268SS*.THydrogen-bonded Turntrans-91.5-4.1175-56.4175.7-178.8179.20113.6D496 Q500 N551D496-K498 PolarHBondContact O-N 3.37Å; D496-K498 VanDerWaalsContact OD2-CB 3.29Å; D496-K498 WeakPolarHBondContact OD2-CB 3.44Å; D496-K498 WeakPolarHBondContact OD2-CG 3.35Å; D496-K498 PolarHBondContact OD2-N 3.28Å; D496-K498 VanDerWaalsContact OD2-N 3.16Å; K498-Q500 PolarHBondContact O-N 3.24Å; K498-N551 PolarHBondContact O-ND2 3.32Å
499T90.1Very high92.1Very high12 Ų1258.9 Ų58.97%0.07429%0.289CS..  trans-69.6123.8178.3-59.40000110.2L495 D496 D503 V504 M519 A550 N551L495-T499 HydrophobicContact CB-CG2 4.35Å; L495-T499 HydrophobicContact CD1-CG2 4.32Å; L495-T499 HydrophobicContact CD2-CG2 4.26Å; D496-T499 PolarHBondContact N-OG1 2.98Å; D496-T499 VanDerWaalsContact N-OG1 3.08Å; D496-T499 WeakPolarHBondContact O-CB 3.44Å; D496-T499 PolarHBondContact O-N 2.98Å; D496-T499 PolarHBondContact O-OG1 3.29Å; T499-D503 WeakPolarHBondContact CA-OD2 3.34Å; T499-D503 HydrophobicContact CG2-CB 4.08Å; T499-V504 HydrophobicContact CG2-CG2 3.77Å; T499-M519 HydrophobicContact CG2-CE 4.43Å; T499-M519 WeakPolarHBondContact O-CE 3.48Å; T499-A550 HydrophobicContact CG2-CB 4.07Å; T499-N551 WeakPolarHBondContact CA-ND2 3.08Å
500Q92.7Very high91.8Very high132 Ų13264.5 Ų64.562%0.61732%0.315SS*.  trans-101.2172176.3-60.8-168.43100111.6K498 S502 D503 V504K498-Q500 PolarHBondContact O-N 3.24Å; Q500-S502 VanDerWaalsContact C-N 3.26Å; Q500-S502 PolarHBondContact O-N 3.35Å; Q500-D503 PolarHBondContact N-OD2 3.06Å; Q500-D503 PolarHBondContact O-N 2.92Å; Q500-V504 PolarHBondContact O-N 3.17Å
501Q93.4Very high91.6Very high102 Ų10265.4 Ų65.448%0.47732%0.319SS..Hα-helixtrans-62.5-34.9178.9-176.8172-20.100111.9D503 V504 M505 I517 M519Q501-D503 VanDerWaalsContact C-N 3.29Å; Q501-D503 PolarHBondContact O-N 3.41Å; Q501-V504 PolarHBondContact O-N 3.24Å; Q501-M505 VanDerWaalsContact O-CB 3.24Å; Q501-M505 WeakPolarHBondContact O-CB 3.43Å; Q501-M505 PolarHBondContact O-N 3Å; Q501-I517 HydrophobicContact CG-CB 4.1Å; Q501-I517 HydrophobicContact CG-CD1 3.9Å; Q501-I517 HydrophobicContact CG-CG2 4.07Å; Q501-M519 WeakPolarHBondContact CA-SD 3.4Å; Q501-M519 HydrophobicContact CB-SD 3.76Å; Q501-M519 PolarHBondContact N-SD 3.17Å
502S92.5Very high91.4Very high57 Ų5762.9 Ų62.940%0.39932%0.316SS..Hα-helixtrans-52.2-45.6172.1460000112.5Q500 V504 M505 S506Q500-S502 VanDerWaalsContact C-N 3.26Å; Q500-S502 PolarHBondContact O-N 3.35Å; S502-V504 PolarHBondContact O-N 3.07Å; S502-M505 PolarHBondContact O-N 2.91Å; S502-S506 WeakPolarHBondContact O-CB 3.1Å; S502-S506 PolarHBondContact O-N 3.13Å; S502-S506 PolarHBondContact O-OG 3.09Å
503D91.4Very high91.4Very high42 Ų4268.8 Ų68.823%0.22534%0.343CS..Hα-helixtrans-73.9-35.1-170.6-40.5-20.2000110.4T499 Q500 Q501 L507 N551T499-D503 WeakPolarHBondContact CA-OD2 3.34Å; T499-D503 HydrophobicContact CG2-CB 4.08Å; Q500-D503 PolarHBondContact N-OD2 3.06Å; Q500-D503 PolarHBondContact O-N 2.92Å; Q501-D503 VanDerWaalsContact C-N 3.29Å; Q501-D503 PolarHBondContact O-N 3.41Å; D503-L507 WeakPolarHBondContact O-CB 3.29Å; D503-L507 PolarHBondContact O-N 3.15Å; D503-N551 PolarHBondContact OD2-ND2 3.08Å; D503-N551 PolarHBondContact OD2-OD1 3.43Å
504V91.8Very high91.5Very high2 Ų270.1 Ų70.11%0.01235%0.35CS..Hα-helixtrans-73.3-39.3174179.40000110.9L495 T499 Q500 Q501 S502 L507 L508 I517 M519 A526 I528L495-V504 HydrophobicContact CD1-CG2 4.01Å; L495-V504 HydrophobicContact CD2-CG2 4.32Å; T499-V504 HydrophobicContact CG2-CG2 3.77Å; Q500-V504 PolarHBondContact O-N 3.17Å; Q501-V504 PolarHBondContact O-N 3.24Å; S502-V504 PolarHBondContact O-N 3.07Å; V504-L507 PolarHBondContact O-N 3.24Å; V504-L508 HydrophobicContact CG1-CD1 4.08Å; V504-L508 PolarHBondContact O-N 2.85Å; V504-I517 HydrophobicContact CG1-CG2 4.47Å; V504-M519 HydrophobicContact CG2-CE 4.2Å; V504-A526 HydrophobicContact CG1-CB 4.49Å; V504-I528 HydrophobicContact CG1-CD1 3.77Å; V504-I528 HydrophobicContact CG1-CG1 3.81Å
505M92.1Very high91.6Very high71 Ų7171 Ų7135%0.3535%0.354SS..Hα-helixtrans-62-56.4175.5-176.616617600110.7Q501 S502 L507 L508 E509 I514 I517Q501-M505 VanDerWaalsContact O-CB 3.24Å; Q501-M505 WeakPolarHBondContact O-CB 3.43Å; Q501-M505 PolarHBondContact O-N 3Å; S502-M505 PolarHBondContact O-N 2.91Å; M505-L507 PolarHBondContact O-N 2.69Å; M505-L507 VanDerWaalsContact O-N 3.11Å; M505-L508 PolarHBondContact O-N 3.11Å; M505-E509 WeakPolarHBondContact CE-OE1 3.27Å; M505-E509 VanDerWaalsContact O-CB 3.25Å; M505-E509 WeakPolarHBondContact O-CB 3.25Å; M505-E509 PolarHBondContact O-N 3.01Å; M505-I514 HydrophobicContact CG-CD1 4.16Å; M505-I517 HydrophobicContact CB-CD1 3.74Å; M505-I517 HydrophobicContact CG-CD1 4.36Å
506S90.4Very high91.7Very high88 Ų8873.5 Ų73.562%0.61537%0.372SS*.Hα-helixtrans-58.9-26.3179.2-58.20000114S502S502-S506 WeakPolarHBondContact O-CB 3.1Å; S502-S506 PolarHBondContact O-N 3.13Å; S502-S506 PolarHBondContact O-OG 3.09Å
507L89.3Confident91.9Very high33 Ų3372.2 Ų72.217%0.17337%0.365CS..Hα-helixtrans-78-28175.9179.361.6000113.5D503 V504 M505 F511 L543 Y548D503-L507 WeakPolarHBondContact O-CB 3.29Å; D503-L507 PolarHBondContact O-N 3.15Å; V504-L507 PolarHBondContact O-N 3.24Å; M505-L507 PolarHBondContact O-N 2.69Å; M505-L507 VanDerWaalsContact O-N 3.11Å; L507-F511 WeakPolarHBondContact O-CE2 3.42Å; L507-L543 HydrophobicContact CD1-CD2 3.95Å; L507-L543 HydrophobicContact CG-CD2 4.39Å; L507-Y548 HydrophobicContact CD1-CD1 3.99Å
508L91Very high92.3Very high1 Ų167.5 Ų67.51%0.00535%0.349CS..Hα-helixtrans-106.5-25.6-173.9-78.4165000113.8L490 V492 V504 M505 E510 F511 I514 I528 A539 L543 I557L490-L508 HydrophobicContact CD1-CD2 4.24Å; V492-L508 HydrophobicContact CG2-CD1 4.2Å; V504-L508 HydrophobicContact CG1-CD1 4.08Å; V504-L508 PolarHBondContact O-N 2.85Å; M505-L508 PolarHBondContact O-N 3.11Å; L508-E510 PolarHBondContact O-N 3.12Å; L508-F511 WeakPolarHBondContact O-CB 3.42Å; L508-F511 PolarHBondContact O-N 3.32Å; L508-I514 HydrophobicContact CB-CD1 3.81Å; L508-I514 HydrophobicContact CB-CG1 4.5Å; L508-I528 HydrophobicContact CD1-CB 3.96Å; L508-I528 HydrophobicContact CD1-CD1 3.61Å; L508-I528 HydrophobicContact CD1-CG1 3.58Å; L508-I528 HydrophobicContact CD1-CG2 3.98Å; L508-A539 HydrophobicContact CD2-CB 3.8Å; L508-L543 HydrophobicContact CD2-CD1 3.5Å; L508-L543 HydrophobicContact CG-CD1 4.37Å; L508-I557 HydrophobicContact CD2-CD1 4.38Å
509E92.4Very high92.5Very high103 Ų10361.8 Ų61.848%0.48133%0.325SS..G310 helixtrans-65-21.5176.1-168.5165.1-146.900112.3M505 F511 G512 I514M505-E509 WeakPolarHBondContact CE-OE1 3.27Å; M505-E509 VanDerWaalsContact O-CB 3.25Å; M505-E509 WeakPolarHBondContact O-CB 3.25Å; M505-E509 PolarHBondContact O-N 3.01Å; E509-F511 PolarHBondContact O-N 2.77Å; E509-F511 VanDerWaalsContact O-N 3.1Å; E509-G512 PolarHBondContact O-N 2.94Å; E509-I514 HydrophobicContact CB-CD1 4.36Å
510E90.1Very high92.7Very high127 Ų12763.7 Ų63.759%0.59333%0.334SS*.G310 helixtrans-57.8-19.5168.5-155.5-139141.900113.3L508 K542L508-E510 PolarHBondContact O-N 3.12Å; E510-K542 IonicContact OE1-NZ 3.15Å; E510-K542 PolarHBondContact OE1-NZ 2.95Å; E510-K542 IonicContact OE2-NZ 2.7Å; E510-K542 PolarHBondContact OE2-NZ 3.43Å
511F91.4Very high92.6Very high19 Ų1961.3 Ų61.38%0.08333%0.33CS..G310 helixtrans-106.8-13.4-175.4-61.9-85.9000114.4L507 L508 E509 D535 M538 A539 K542 L543L507-F511 WeakPolarHBondContact O-CE2 3.42Å; L508-F511 WeakPolarHBondContact O-CB 3.42Å; L508-F511 PolarHBondContact O-N 3.32Å; E509-F511 PolarHBondContact O-N 2.77Å; E509-F511 VanDerWaalsContact O-N 3.1Å; F511-D535 WeakPolarHBondContact O-CB 3.45Å; F511-M538 HydrophobicContact CD1-CB 4.38Å; F511-A539 HydrophobicContact CB-CB 3.85Å; F511-A539 VanDerWaalsContact CD1-CA 3.49Å; F511-A539 HydrophobicContact CD1-CB 4.12Å; F511-A539 HydrophobicContact CD2-CB 3.97Å; F511-A539 HydrophobicContact CG-CB 3.71Å; F511-K542 HydrophobicContact CE1-CB 3.57Å; F511-K542 HydrophobicContact CE1-CD 3.62Å; F511-K542 HydrophobicContact CE1-CG 4.03Å; F511-K542 VanDerWaalsContact CE1-NZ 3.3Å; F511-K542 HydrophobicContact CZ-CB 3.93Å; F511-K542 HydrophobicContact CZ-CD 3.92Å; F511-K542 VanDerWaalsContact CZ-CE 3.41Å; F511-K542 HydrophobicContact CZ-CG 4.16Å; F511-K542 VanDerWaalsContact CZ-NZ 3.32Å; F511-L543 HydrophobicContact CE2-CD1 3.88Å; F511-L543 HydrophobicContact CE2-CD2 3.89Å; F511-L543 HydrophobicContact CE2-CG 3.82Å; F511-L543 HydrophobicContact CZ-CD1 4.33Å; F511-L543 HydrophobicContact CZ-CD2 3.92Å; F511-L543 HydrophobicContact CZ-CG 3.79Å
512G92.6Very high92.5Very high21 Ų2162.5 Ų62.522%0.21635%0.347CS..SBendtrans145.1-178.9-176.100000113.7E509 M530 D535E509-G512 PolarHBondContact O-N 2.94Å; G512-M530 WeakPolarHBondContact O-CE 3.3Å; G512-D535 VanDerWaalsContact CA-OD2 3.3Å; G512-D535 WeakPolarHBondContact CA-OD2 3.3Å
513Q94.1Very high92.4Very high128 Ų12869.5 Ų69.560%0.59837%0.365SS*.  trans-75.8133.1-169.8-167176.68.400112V531Q513-V531 HydrophobicContact CB-CB 4.18Å; Q513-V531 HydrophobicContact CB-CG2 3.9Å; Q513-V531 HydrophobicContact CG-CG2 3.78Å; Q513-V531 PolarHBondContact O-N 2.98Å
514I95.4Very high92.4Very high28 Ų2868.3 Ų68.314%0.14436%0.362CS..EExtended strand (participates in β ladder)trans-92.1129.7175.7-61.8171.1000109.2M505 L508 E509 I517 I528 M530M505-I514 HydrophobicContact CG-CD1 4.16Å; L508-I514 HydrophobicContact CB-CD1 3.81Å; L508-I514 HydrophobicContact CB-CG1 4.5Å; E509-I514 HydrophobicContact CB-CD1 4.36Å; I514-I517 HydrophobicContact CD1-CD1 4.3Å; I514-I517 HydrophobicContact CG2-CD1 4.25Å; I514-I517 HydrophobicContact CG2-CG1 3.72Å; I514-I528 HydrophobicContact CD1-CG2 4.31Å; I514-I528 HydrophobicContact CG1-CG2 4.16Å; I514-I528 HydrophobicContact CG2-CG2 3.72Å; I514-M530 HydrophobicContact CG1-CE 3.99Å; I514-M530 HydrophobicContact CG1-SD 3.84Å
515E94.1Very high92.6Very high112 Ų11268.6 Ų68.652%0.52336%0.364SS..EExtended strand (participates in β ladder)trans-85.5-45.1175.5-172.8-167.2140.100110.8V529 V531E515-V529 HydrophobicContact CB-CB 4.16Å; E515-V529 HydrophobicContact CB-CG1 4.03Å; E515-V529 WeakPolarHBondContact CB-O 3.32Å; E515-V529 HydrophobicContact CG-CG1 4.46Å; E515-V529 PolarHBondContact N-O 2.8Å; E515-V529 VanDerWaalsContact OE2-CG1 3.23Å; E515-V529 WeakPolarHBondContact OE2-CG1 3.24Å; E515-V531 HydrophobicContact CB-CG2 3.92Å
516S93.8Very high92.7Very high56 Ų5665.2 Ų65.239%0.39235%0.347SS..EExtended strand (participates in β ladder)trans-156.7154.1176.161.90000113.2I528 V529S516-I528 WeakPolarHBondContact O-CA 3.36Å; S516-V529 PolarHBondContact N-O 3.47Å; S516-V529 PolarHBondContact O-N 3.22Å; S516-V529 WeakPolarHBondContact OG-CG2 3.36Å
517I95.1Very high93Very high22 Ų2265.1 Ų65.111%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-124.8123.7171.1-56.6176.6000108.2Q501 V504 M505 I514 M519 A526 I528Q501-I517 HydrophobicContact CG-CB 4.1Å; Q501-I517 HydrophobicContact CG-CD1 3.9Å; Q501-I517 HydrophobicContact CG-CG2 4.07Å; V504-I517 HydrophobicContact CG1-CG2 4.47Å; M505-I517 HydrophobicContact CB-CD1 3.74Å; M505-I517 HydrophobicContact CG-CD1 4.36Å; I514-I517 HydrophobicContact CD1-CD1 4.3Å; I514-I517 HydrophobicContact CG2-CD1 4.25Å; I514-I517 HydrophobicContact CG2-CG1 3.72Å; I517-M519 HydrophobicContact CG2-CG 3.96Å; I517-A526 HydrophobicContact CG2-CB 4.42Å; I517-I528 HydrophobicContact CG1-CG1 4.21Å; I517-I528 HydrophobicContact CG1-CG2 4.16Å; I517-I528 HydrophobicContact CG2-CG1 4.24Å
518N94.9Very high93.3Very high98 Ų9863.5 Ų63.552%0.52433%0.326SS..EExtended strand (participates in β ladder)trans-113.7100.9173.4179.26.2000109A526 Y527N518-A526 CarbonylContact O-C 3.44Å; N518-A526 WeakPolarHBondContact O-CA 3.26Å; N518-Y527 PolarHBondContact N-O 2.95Å; N518-Y527 PolarHBondContact O-N 3.26Å
519M93.6Very high93.6Very high44 Ų4464.2 Ų64.222%0.21733%0.33CS..EExtended strand (participates in β ladder)trans-83.6141.1178.1-62.3-162.778.300111.8L495 T499 Q501 V504 I517 P521 A526L495-M519 HydrophobicContact CD1-CE 4.08Å; T499-M519 HydrophobicContact CG2-CE 4.43Å; T499-M519 WeakPolarHBondContact O-CE 3.48Å; Q501-M519 WeakPolarHBondContact CA-SD 3.4Å; Q501-M519 HydrophobicContact CB-SD 3.76Å; Q501-M519 PolarHBondContact N-SD 3.17Å; V504-M519 HydrophobicContact CG2-CE 4.2Å; I517-M519 HydrophobicContact CG2-CG 3.96Å; M519-P521 HydrophobicContact CB-CG 4.46Å; M519-P521 WeakPolarHBondContact O-CD 3.48Å; M519-A526 HydrophobicContact CG-CB 4.17Å
520I94.3Very high93.7Very high52 Ų5259.3 Ų59.327%0.26731%0.307SS..EExtended strand (participates in β ladder)trans-123.476.6170.5-46.7-179000108.6P522 R523 G524 C525 Y527I520-P522 VanDerWaalsContact C-CD 3.46Å; I520-R523 HydrophobicContact CB-CB 4.37Å; I520-R523 HydrophobicContact CG2-CB 3.89Å; I520-R523 HydrophobicContact CG2-CG 3.73Å; I520-R523 PolarHBondContact O-N 3.26Å; I520-G524 PolarHBondContact O-N 3.48Å; I520-C525 CarbonylContact C-O 3.52Å; I520-C525 WeakPolarHBondContact CA-O 3.42Å; I520-C525 PolarHBondContact N-O 3.1Å; I520-Y527 HydrophobicContact CD1-CD2 4.07Å; I520-Y527 HydrophobicContact CD1-CE2 3.78Å
521P90.6Very high93.9Very high82 Ų8255.9 Ų55.953%0.53230%0.295SS..G310 helixtrans-53.6-39.7-176.4-24.233.3000114.7M519 R523 G524M519-P521 HydrophobicContact CB-CG 4.46Å; M519-P521 WeakPolarHBondContact O-CD 3.48Å; P521-R523 PolarHBondContact O-N 3.29Å; P521-R523 VanDerWaalsContact O-N 3.16Å; P521-G524 PolarHBondContact O-N 3.16Å; P521-G524 VanDerWaalsContact O-N 3.08Å
522P90.8Very high93.9Very high127 Ų12760 Ų6083%0.82531%0.314SS*.G310 helixtrans-60.5-24.6176-2636.1000114.6I520I520-P522 VanDerWaalsContact C-CD 3.46Å
523R90.6Very high93.9Very high204 Ų20459.3 Ų59.377%0.7731%0.305SS*.G310 helixtrans-99.8-2.6178-60.9-170.275.9153.15.4113.5I520 P521 C525I520-R523 HydrophobicContact CB-CB 4.37Å; I520-R523 HydrophobicContact CG2-CB 3.89Å; I520-R523 HydrophobicContact CG2-CG 3.73Å; I520-R523 PolarHBondContact O-N 3.26Å; P521-R523 PolarHBondContact O-N 3.29Å; P521-R523 VanDerWaalsContact O-N 3.16Å; R523-C525 VanDerWaalsContact C-N 3.28Å; R523-C525 PolarHBondContact O-N 2.68Å
524G92.7Very high93.9Very high17 Ų1755.6 Ų55.618%0.17529%0.288CS..THydrogen-bonded Turntrans6035.6-177.600000113.4G493 Q494 L495 I520 P521G493-G524 CarbonylContact C-O 3.38Å; Q494-G524 PolarHBondContact N-O 3.19Å; L495-G524 PolarHBondContact N-O 3.12Å; I520-G524 PolarHBondContact O-N 3.48Å; P521-G524 PolarHBondContact O-N 3.16Å; P521-G524 VanDerWaalsContact O-N 3.08Å
525C94.6Very high93.9Very high7 Ų755.5 Ų55.55%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-143.7161.6178.267.20000112.9W491 V492 I520 R523W491-C525 HydrophobicContact CZ2-CB 4.35Å; W491-C525 VanDerWaalsContact NE1-CB 3.35Å; V492-C525 CarbonylContact O-C 3.58Å; V492-C525 WeakPolarHBondContact O-CA 3.17Å; V492-C525 VanDerWaalsContact O-CB 3.26Å; V492-C525 WeakPolarHBondContact O-CB 3.23Å; I520-C525 CarbonylContact C-O 3.52Å; I520-C525 WeakPolarHBondContact CA-O 3.42Å; I520-C525 PolarHBondContact N-O 3.1Å; R523-C525 VanDerWaalsContact C-N 3.28Å; R523-C525 PolarHBondContact O-N 2.68Å
526A95.7Very high93.9Very high0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-132.9152.8170.500000110.5V492 L495 V504 I517 N518 M519 I528V492-A526 PolarHBondContact N-O 3.17Å; V492-A526 PolarHBondContact O-N 3.29Å; L495-A526 HydrophobicContact CD1-CB 3.98Å; V504-A526 HydrophobicContact CG1-CB 4.49Å; I517-A526 HydrophobicContact CG2-CB 4.42Å; N518-A526 CarbonylContact O-C 3.44Å; N518-A526 WeakPolarHBondContact O-CA 3.26Å; M519-A526 HydrophobicContact CG-CB 4.17Å; A526-I528 HydrophobicContact CB-CD1 4.1Å
527Y96.3Very high93.9Very high86 Ų8650.8 Ų50.834%0.33726%0.257SS..EExtended strand (participates in β ladder)trans-105.4131.9165.6-67.1-83000108.5T489 L490 W491 N518 I520 A560T489-Y527 HydrophobicContact CG2-CD1 4.46Å; L490-Y527 CarbonylContact O-C 3.53Å; L490-Y527 WeakPolarHBondContact O-CA 3.28Å; W491-Y527 HydrophobicContact CB-CD1 4.14Å; W491-Y527 HydrophobicContact CB-CE1 3.93Å; W491-Y527 AromaticContact CD1-CE1 3.6Å; W491-Y527 AromaticContact CD1-CZ 3.65Å; W491-Y527 HydrophobicContact CG-CE1 4.14Å; N518-Y527 PolarHBondContact N-O 2.95Å; N518-Y527 PolarHBondContact O-N 3.26Å; I520-Y527 HydrophobicContact CD1-CD2 4.07Å; I520-Y527 HydrophobicContact CD1-CE2 3.78Å; Y527-A560 HydrophobicContact CD1-CB 3.53Å; Y527-A560 HydrophobicContact CE1-CB 3.7Å
528I95.9Very high93.8Very high0 Ų054.1 Ų54.10%027%0.273CS..EExtended strand (participates in β ladder)trans-125.4122.2-178.2-55.592.1000108.2T489 L490 V492 V504 L508 I514 S516 I517 A526 M530T489-I528 CarbonylContact C-O 3.58Å; T489-I528 WeakPolarHBondContact CA-O 3.34Å; L490-I528 PolarHBondContact N-O 3.09Å; L490-I528 PolarHBondContact O-N 3.18Å; V492-I528 HydrophobicContact CB-CD1 4.02Å; V492-I528 HydrophobicContact CG2-CD1 3.66Å; V504-I528 HydrophobicContact CG1-CD1 3.77Å; V504-I528 HydrophobicContact CG1-CG1 3.81Å; L508-I528 HydrophobicContact CD1-CB 3.96Å; L508-I528 HydrophobicContact CD1-CD1 3.61Å; L508-I528 HydrophobicContact CD1-CG1 3.58Å; L508-I528 HydrophobicContact CD1-CG2 3.98Å; I514-I528 HydrophobicContact CD1-CG2 4.31Å; I514-I528 HydrophobicContact CG1-CG2 4.16Å; I514-I528 HydrophobicContact CG2-CG2 3.72Å; S516-I528 WeakPolarHBondContact O-CA 3.36Å; I517-I528 HydrophobicContact CG1-CG1 4.21Å; I517-I528 HydrophobicContact CG1-CG2 4.16Å; I517-I528 HydrophobicContact CG2-CG1 4.24Å; A526-I528 HydrophobicContact CB-CD1 4.1Å; I528-M530 HydrophobicContact CG2-SD 3.98Å
529V95.9Very high93.8Very high16 Ų1649.5 Ų49.510%0.09725%0.248CC..EExtended strand (participates in β ladder)trans-94.1123.4172.2-172.70000107.9T488 T489 E515 S516T488-V529 WeakPolarHBondContact OG1-CG1 3.25Å; T489-V529 HydrophobicContact CG2-CG2 4.06Å; E515-V529 HydrophobicContact CB-CB 4.16Å; E515-V529 HydrophobicContact CB-CG1 4.03Å; E515-V529 WeakPolarHBondContact CB-O 3.32Å; E515-V529 HydrophobicContact CG-CG1 4.46Å; E515-V529 PolarHBondContact N-O 2.8Å; E515-V529 VanDerWaalsContact OE2-CG1 3.23Å; E515-V529 WeakPolarHBondContact OE2-CG1 3.24Å; S516-V529 PolarHBondContact N-O 3.47Å; S516-V529 PolarHBondContact O-N 3.22Å; S516-V529 WeakPolarHBondContact OG-CG2 3.36Å
530M95.3Very high93.8Very high0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-90.4148.1170.8-51.9-60.6-66.700110T488 L490 G512 I514 I528 H532 D535 A536T488-M530 WeakPolarHBondContact CB-O 3.45Å; T488-M530 PolarHBondContact O-N 2.84Å; T488-M530 VanDerWaalsContact O-N 3.09Å; T488-M530 PolarHBondContact OG1-O 3Å; T488-M530 VanDerWaalsContact OG1-O 3.12Å; L490-M530 HydrophobicContact CD1-CG 4.21Å; G512-M530 WeakPolarHBondContact O-CE 3.3Å; I514-M530 HydrophobicContact CG1-CE 3.99Å; I514-M530 HydrophobicContact CG1-SD 3.84Å; I528-M530 HydrophobicContact CG2-SD 3.98Å; M530-H532 PolarHBondContact O-N 2.65Å; M530-D535 HydrophobicContact CE-CB 4.17Å; M530-A536 HydrophobicContact CB-CB 4.02Å; M530-A536 HydrophobicContact CG-CB 3.65Å
531V93.8Very high93.7Very high55 Ų5550.8 Ų50.833%0.33325%0.252SS..SBendtrans-66-26175.2-178.50000111.5Q513 E515Q513-V531 HydrophobicContact CB-CB 4.18Å; Q513-V531 HydrophobicContact CB-CG2 3.9Å; Q513-V531 HydrophobicContact CG-CG2 3.78Å; Q513-V531 PolarHBondContact O-N 2.98Å; E515-V531 HydrophobicContact CB-CG2 3.92Å
532H92.9Very high93.7Very high106 Ų10650.5 Ų50.549%0.49124%0.242SC..SBendtrans-127.9141.1-179.2-60.1-30.2000113.7M530 Q534 D535 A536M530-H532 PolarHBondContact O-N 2.65Å; H532-Q534 VanDerWaalsContact C-N 3.31Å; H532-Q534 PolarHBondContact O-N 2.71Å; H532-D535 HydrophobicContact CB-CB 4.31Å; H532-D535 IonicContact CD2-OD2 2.7Å; H532-D535 IonicContact CG-OD2 2.74Å; H532-D535 PolarHBondContact O-N 3.17Å; H532-A536 PolarHBondContact O-N 3.03Å
533R92.2Very high93.7Very high6 Ų645 Ų452%0.02321%0.205CC..Hα-helixtrans-65.5-31.4179.8-177.767.4-168.590.3-19.5113.5L475 C486 S487 T488 Y537 W559 Q577 G578 M600L475-R533 HydrophobicContact CD2-CG 4.29Å; C486-R533 HydrophobicContact CB-CG 4.22Å; S487-R533 WeakPolarHBondContact O-CD 3.35Å; S487-R533 VanDerWaalsContact O-CZ 3.28Å; S487-R533 PolarHBondContact O-NE 2.83Å; T488-R533 HydrophobicContact CG2-CB 4.17Å; R533-Y537 WeakPolarHBondContact O-CB 3.25Å; R533-Y537 PolarHBondContact O-N 2.77Å; R533-Y537 VanDerWaalsContact O-N 3.13Å; R533-W559 VanDerWaalsContact NH2-CZ2 3.26Å; R533-Q577 PolarHBondContact NH2-O 3.05Å; R533-G578 PolarHBondContact NH2-O 2.92Å; R533-M600 HydrophobicContact CB-CG 4.11Å; R533-M600 HydrophobicContact CB-SD 3.39Å; R533-M600 WeakPolarHBondContact CB-SD 3.44Å; R533-M600 HydrophobicContact CG-CG 4.47Å; R533-M600 HydrophobicContact CG-SD 4.06Å
534Q93.3Very high93.6Very high49 Ų4938.7 Ų38.723%0.22919%0.193CC..Hα-helixtrans-70.3-47177.917358.51.700111.3Q472 K473 H532 A536 Y537 M538Q472-Q534 PolarHBondContact O-NE2 2.93Å; Q472-Q534 PolarHBondContact O-OE1 2.86Å; K473-Q534 VanDerWaalsContact C-OE1 3.22Å; H532-Q534 VanDerWaalsContact C-N 3.31Å; H532-Q534 PolarHBondContact O-N 2.71Å; Q534-A536 VanDerWaalsContact C-N 3.31Å; Q534-A536 PolarHBondContact O-N 2.72Å; Q534-Y537 CarbonylContact O-C 3.54Å; Q534-Y537 WeakPolarHBondContact O-CA 3.42Å; Q534-Y537 WeakPolarHBondContact O-CB 3.39Å; Q534-Y537 PolarHBondContact O-N 2.92Å; Q534-M538 HydrophobicContact CG-CG 4.47Å; Q534-M538 HydrophobicContact CG-SD 4.08Å; Q534-M538 PolarHBondContact NE2-SD 2.75Å; Q534-M538 PolarHBondContact O-N 3.29Å
535D94.8Very high93.2Very high27 Ų2745.9 Ų45.914%0.14422%0.22CC..Hα-helixtrans-57.5-47.1179-54.412.3000109.9F511 G512 M530 H532 Y537 M538 A539F511-D535 WeakPolarHBondContact O-CB 3.45Å; G512-D535 VanDerWaalsContact CA-OD2 3.3Å; G512-D535 WeakPolarHBondContact CA-OD2 3.3Å; M530-D535 HydrophobicContact CE-CB 4.17Å; H532-D535 HydrophobicContact CB-CB 4.31Å; H532-D535 IonicContact CD2-OD2 2.7Å; H532-D535 IonicContact CG-OD2 2.74Å; H532-D535 PolarHBondContact O-N 3.17Å; D535-Y537 VanDerWaalsContact C-N 3.32Å; D535-Y537 PolarHBondContact O-N 2.93Å; D535-M538 PolarHBondContact O-N 2.8Å; D535-A539 VanDerWaalsContact O-CB 3.31Å; D535-A539 WeakPolarHBondContact O-CB 3.34Å; D535-A539 PolarHBondContact O-N 2.69Å
536A94.9Very high92.1Very high0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-59.2-40.3173.100000112.9L490 M530 H532 Q534 L540 W559L490-A536 HydrophobicContact CD1-CB 4.15Å; L490-A536 HydrophobicContact CG-CB 4.26Å; M530-A536 HydrophobicContact CB-CB 4.02Å; M530-A536 HydrophobicContact CG-CB 3.65Å; H532-A536 PolarHBondContact O-N 3.03Å; Q534-A536 VanDerWaalsContact C-N 3.31Å; Q534-A536 PolarHBondContact O-N 2.72Å; A536-L540 WeakPolarHBondContact O-CB 3.33Å; A536-L540 PolarHBondContact O-N 3.1Å; A536-W559 HydrophobicContact CB-CH2 3.93Å; A536-W559 HydrophobicContact CB-CZ3 3.86Å
537Y94.3Very high91Very high69 Ų6951.7 Ų51.727%0.27127%0.266SS..Hα-helixtrans-68.9-39.8178.3175.9-116.6000111.9R533 Q534 D535 K541 W559R533-Y537 WeakPolarHBondContact O-CB 3.25Å; R533-Y537 PolarHBondContact O-N 2.77Å; R533-Y537 VanDerWaalsContact O-N 3.13Å; Q534-Y537 CarbonylContact O-C 3.54Å; Q534-Y537 WeakPolarHBondContact O-CA 3.42Å; Q534-Y537 WeakPolarHBondContact O-CB 3.39Å; Q534-Y537 PolarHBondContact O-N 2.92Å; D535-Y537 VanDerWaalsContact C-N 3.32Å; D535-Y537 PolarHBondContact O-N 2.93Å; Y537-K541 HydrophobicContact CE1-CD 3.98Å; Y537-K541 HydrophobicContact CE2-CD 4.34Å; Y537-K541 WeakPolarHBondContact O-CB 3.27Å; Y537-K541 PolarHBondContact O-N 3.11Å; Y537-K541 PolarHBondContact OH-NZ 3.24Å; Y537-K541 VanDerWaalsContact OH-NZ 3.12Å; Y537-W559 HydrophobicContact CD2-CZ2 4.28Å
538M93.1Very high90.2Very high92 Ų9250.9 Ų50.945%0.45326%0.262SS..Hα-helixtrans-66.8-46175.4-74.4-17954.100111.7F511 Q534 D535 K541 K542F511-M538 HydrophobicContact CD1-CB 4.38Å; Q534-M538 HydrophobicContact CG-CG 4.47Å; Q534-M538 HydrophobicContact CG-SD 4.08Å; Q534-M538 PolarHBondContact NE2-SD 2.75Å; Q534-M538 PolarHBondContact O-N 3.29Å; D535-M538 PolarHBondContact O-N 2.8Å; M538-K541 PolarHBondContact O-N 3.22Å; M538-K542 WeakPolarHBondContact O-CB 3.47Å; M538-K542 PolarHBondContact O-N 2.97Å
539A94.1Very high89.4Confident0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-53.7-57.917300000110.9L490 L508 F511 D535 K541 K542 L543L490-A539 HydrophobicContact CD1-CB 3.91Å; L508-A539 HydrophobicContact CD2-CB 3.8Å; F511-A539 HydrophobicContact CB-CB 3.85Å; F511-A539 VanDerWaalsContact CD1-CA 3.49Å; F511-A539 HydrophobicContact CD1-CB 4.12Å; F511-A539 HydrophobicContact CD2-CB 3.97Å; F511-A539 HydrophobicContact CG-CB 3.71Å; D535-A539 VanDerWaalsContact O-CB 3.31Å; D535-A539 WeakPolarHBondContact O-CB 3.34Å; D535-A539 PolarHBondContact O-N 2.69Å; A539-K541 VanDerWaalsContact C-N 3.32Å; A539-K541 PolarHBondContact O-N 3.35Å; A539-K542 PolarHBondContact O-N 3.24Å; A539-L543 HydrophobicContact CB-CD1 4.4Å; A539-L543 WeakPolarHBondContact O-CB 3.33Å; A539-L543 VanDerWaalsContact O-CG 3.27Å; A539-L543 WeakPolarHBondContact O-CG 3.49Å; A539-L543 PolarHBondContact O-N 3.43Å
540L93.9Very high88.5Confident25 Ų2556.2 Ų56.213%0.13129%0.285CS..Hα-helixtrans-55.5-46.7177.8-178.966.1000111.9L490 A536 K542 S544 I557 W559L490-L540 HydrophobicContact CD2-CB 3.92Å; L490-L540 HydrophobicContact CD2-CD1 4.48Å; A536-L540 WeakPolarHBondContact O-CB 3.33Å; A536-L540 PolarHBondContact O-N 3.1Å; L540-K542 PolarHBondContact O-N 2.87Å; L540-S544 WeakPolarHBondContact O-CB 3.04Å; L540-S544 PolarHBondContact O-N 3.4Å; L540-S544 PolarHBondContact O-OG 2.62Å; L540-I557 HydrophobicContact CD1-CB 4.28Å; L540-I557 HydrophobicContact CD1-CG1 3.84Å; L540-I557 HydrophobicContact CD1-CG2 3.94Å; L540-W559 HydrophobicContact CB-CH2 4.44Å; L540-W559 HydrophobicContact CB-CZ2 4.27Å; L540-W559 HydrophobicContact CD2-CD2 3.88Å; L540-W559 HydrophobicContact CD2-CG 4.11Å; L540-W559 HydrophobicContact CD2-CH2 4.25Å; L540-W559 HydrophobicContact CD2-CZ2 3.45Å; L540-W559 VanDerWaalsContact CD2-CZ2 3.45Å; L540-W559 HydrophobicContact CG-CZ2 4.49Å
541K91.4Very high87.5Confident99 Ų9959.8 Ų59.843%0.4330%0.304SS..Hα-helixtrans-71.8-23.6-173.2-174.9175.2-179.9176.60114.4Y537 M538 A539 K545Y537-K541 HydrophobicContact CE1-CD 3.98Å; Y537-K541 HydrophobicContact CE2-CD 4.34Å; Y537-K541 WeakPolarHBondContact O-CB 3.27Å; Y537-K541 PolarHBondContact O-N 3.11Å; Y537-K541 PolarHBondContact OH-NZ 3.24Å; Y537-K541 VanDerWaalsContact OH-NZ 3.12Å; M538-K541 PolarHBondContact O-N 3.22Å; A539-K541 VanDerWaalsContact C-N 3.32Å; A539-K541 PolarHBondContact O-N 3.35Å; K541-K545 WeakPolarHBondContact O-CD 3.44Å; K541-K545 WeakPolarHBondContact O-CG 3.41Å
542K91.2Very high86.6Confident76 Ų7665.6 Ų65.633%0.3333%0.328SS..Hα-helixtrans-90.4-50.2172.3-166.9168.8111.8-147.80110.8E510 F511 M538 A539 L540 S544 K545 G546 Y548E510-K542 IonicContact OE1-NZ 3.15Å; E510-K542 PolarHBondContact OE1-NZ 2.95Å; E510-K542 IonicContact OE2-NZ 2.7Å; E510-K542 PolarHBondContact OE2-NZ 3.43Å; F511-K542 HydrophobicContact CE1-CB 3.57Å; F511-K542 HydrophobicContact CE1-CD 3.62Å; F511-K542 HydrophobicContact CE1-CG 4.03Å; F511-K542 VanDerWaalsContact CE1-NZ 3.3Å; F511-K542 HydrophobicContact CZ-CB 3.93Å; F511-K542 HydrophobicContact CZ-CD 3.92Å; F511-K542 VanDerWaalsContact CZ-CE 3.41Å; F511-K542 HydrophobicContact CZ-CG 4.16Å; F511-K542 VanDerWaalsContact CZ-NZ 3.32Å; M538-K542 WeakPolarHBondContact O-CB 3.47Å; M538-K542 PolarHBondContact O-N 2.97Å; A539-K542 PolarHBondContact O-N 3.24Å; L540-K542 PolarHBondContact O-N 2.87Å; K542-S544 PolarHBondContact O-N 3.48Å; K542-K545 PolarHBondContact O-N 2.72Å; K542-K545 VanDerWaalsContact O-N 3.13Å; K542-G546 PolarHBondContact O-N 2.78Å; K542-Y548 WeakPolarHBondContact CE-OH 3.39Å
543L90.3Very high86.2Confident10 Ų1064.4 Ų64.45%0.05232%0.321CS..Hα-helixtrans-66.5-31.2-176-64.5175.7000113.4L507 L508 F511 A539 K545 Y548 I557L507-L543 HydrophobicContact CD1-CD2 3.95Å; L507-L543 HydrophobicContact CG-CD2 4.39Å; L508-L543 HydrophobicContact CD2-CD1 3.5Å; L508-L543 HydrophobicContact CG-CD1 4.37Å; F511-L543 HydrophobicContact CE2-CD1 3.88Å; F511-L543 HydrophobicContact CE2-CD2 3.89Å; F511-L543 HydrophobicContact CE2-CG 3.82Å; F511-L543 HydrophobicContact CZ-CD1 4.33Å; F511-L543 HydrophobicContact CZ-CD2 3.92Å; F511-L543 HydrophobicContact CZ-CG 3.79Å; A539-L543 HydrophobicContact CB-CD1 4.4Å; A539-L543 WeakPolarHBondContact O-CB 3.33Å; A539-L543 VanDerWaalsContact O-CG 3.27Å; A539-L543 WeakPolarHBondContact O-CG 3.49Å; A539-L543 PolarHBondContact O-N 3.43Å; L543-K545 PolarHBondContact O-N 3.27Å; L543-Y548 HydrophobicContact CB-CD2 4.36Å; L543-Y548 HydrophobicContact CD2-CD1 3.46Å; L543-Y548 VanDerWaalsContact CD2-CD1 3.46Å; L543-Y548 HydrophobicContact CD2-CD2 3.63Å; L543-Y548 HydrophobicContact CD2-CE1 3.75Å; L543-Y548 HydrophobicContact CD2-CE2 3.91Å; L543-Y548 HydrophobicContact CD2-CG 3.39Å; L543-I557 HydrophobicContact CB-CD1 4.06Å; L543-I557 HydrophobicContact CB-CG2 3.86Å; L543-I557 HydrophobicContact CD1-CD1 3.66Å; L543-I557 HydrophobicContact CG-CD1 4.49Å
544S88.7Confident85.9Confident73 Ų7367.2 Ų67.251%0.5134%0.34SS..THydrogen-bonded Turntrans-71.2-12.7174.758.90000114.8L540 K542L540-S544 WeakPolarHBondContact O-CB 3.04Å; L540-S544 PolarHBondContact O-N 3.4Å; L540-S544 PolarHBondContact O-OG 2.62Å; K542-S544 PolarHBondContact O-N 3.48Å
545K84.1Confident85.7Confident168 Ų16866 Ų6673%0.7334%0.336SS*.THydrogen-bonded Turntrans-104.4-26.1-176.5-65.5-173.4179.7-169.40114.3K541 K542 L543K541-K545 WeakPolarHBondContact O-CD 3.44Å; K541-K545 WeakPolarHBondContact O-CG 3.41Å; K542-K545 PolarHBondContact O-N 2.72Å; K542-K545 VanDerWaalsContact O-N 3.13Å; L543-K545 PolarHBondContact O-N 3.27Å
546G72.3Confident85.6Confident35 Ų3570.2 Ų70.236%0.36135%0.353SS..THydrogen-bonded Turntrans-94.8156175.200000111.8K542 Y548K542-G546 PolarHBondContact O-N 2.78Å; G546-Y548 PolarHBondContact O-N 3.13Å
547S72.4Confident85.6Confident94 Ų9471.3 Ų71.366%0.65736%0.359SS*.THydrogen-bonded Turntrans-78.466.8165.4-166.20000109.5
548Y79.6Confident85.7Confident68 Ų6869.6 Ų69.627%0.26736%0.359SS..  trans-69.8138.3176.7-76-88.5000110.2L507 K542 L543 G546 P554 T555L507-Y548 HydrophobicContact CD1-CD1 3.99Å; K542-Y548 WeakPolarHBondContact CE-OH 3.39Å; L543-Y548 HydrophobicContact CB-CD2 4.36Å; L543-Y548 HydrophobicContact CD2-CD1 3.46Å; L543-Y548 VanDerWaalsContact CD2-CD1 3.46Å; L543-Y548 HydrophobicContact CD2-CD2 3.63Å; L543-Y548 HydrophobicContact CD2-CE1 3.75Å; L543-Y548 HydrophobicContact CD2-CE2 3.91Å; L543-Y548 HydrophobicContact CD2-CG 3.39Å; G546-Y548 PolarHBondContact O-N 3.13Å; Y548-P554 WeakPolarHBondContact O-CA 3.07Å; Y548-T555 PolarHBondContact O-N 3.46Å; Y548-T555 PolarHBondContact O-OG1 3.47Å
549K80Confident85.8Confident124 Ų12466.1 Ų66.154%0.53934%0.341SS..EExtended strand (participates in β ladder)trans-130.9110.1-168.3-72.7171.8173-169.30111.4Q552 K553 P554K549-Q552 WeakPolarHBondContact CD-O 3.34Å; K549-K553 CarbonylContact C-O 3.55Å; K549-K553 WeakPolarHBondContact CA-O 3.43Å; K549-P554 HydrophobicContact CG-CB 4.43Å
550A76.4Confident85.9Confident5 Ų566.3 Ų66.34%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-80.8123.8163.700000108.2L495 T499 Q552 K553 T555L495-A550 HydrophobicContact CD2-CB 4.13Å; T499-A550 HydrophobicContact CG2-CB 4.07Å; A550-Q552 VanDerWaalsContact C-N 3.31Å; A550-Q552 PolarHBondContact O-N 2.98Å; A550-K553 PolarHBondContact N-O 3.17Å; A550-K553 PolarHBondContact O-N 3.25Å; A550-K553 VanDerWaalsContact O-N 3.14Å; A550-T555 HydrophobicContact CB-CG2 3.62Å
551N73.6Confident85.9Confident74 Ų7467.5 Ų67.540%0.39635%0.349SS..THydrogen-bonded Turntrans4454.3-176.3-62.7-8.2000113.3K498 T499 D503 K553K498-N551 PolarHBondContact O-ND2 3.32Å; T499-N551 WeakPolarHBondContact CA-ND2 3.08Å; D503-N551 PolarHBondContact OD2-ND2 3.08Å; D503-N551 PolarHBondContact OD2-OD1 3.43Å; N551-K553 PolarHBondContact O-N 3.19Å
552Q75.8Confident85.8Confident177 Ų17762.9 Ų62.983%0.82733%0.329SS*.THydrogen-bonded Turntrans67.2-10.3177.1-49.4-179.910.700116.1K549 A550K549-Q552 WeakPolarHBondContact CD-O 3.34Å; A550-Q552 VanDerWaalsContact C-N 3.31Å; A550-Q552 PolarHBondContact O-N 2.98Å
553K84.1Confident85.7Confident82 Ų8267 Ų6736%0.35735%0.347SS..EExtended strand (participates in β ladder)trans-91.8132.6177.4-173.4-178.4176.9-170.90111Q494 L495 D496 K549 A550 N551Q494-K553 VanDerWaalsContact O-CD 3.25Å; Q494-K553 WeakPolarHBondContact O-CD 3.34Å; Q494-K553 WeakPolarHBondContact O-CE 3.28Å; Q494-K553 PolarHBondContact O-NZ 3.4Å; L495-K553 PolarHBondContact O-NZ 2.81Å; D496-K553 HydrophobicContact CB-CB 4.33Å; D496-K553 HydrophobicContact CB-CD 3.9Å; K549-K553 CarbonylContact C-O 3.55Å; K549-K553 WeakPolarHBondContact CA-O 3.43Å; A550-K553 PolarHBondContact N-O 3.17Å; A550-K553 PolarHBondContact O-N 3.25Å; A550-K553 VanDerWaalsContact O-N 3.14Å; N551-K553 PolarHBondContact O-N 3.19Å
554P85.6Confident85.5Confident65 Ų6567 Ų6742%0.42235%0.349SS..EExtended strand (participates in β ladder)trans-67.9135.7-179.528.5-34.8000111.5Y548 K549Y548-P554 WeakPolarHBondContact O-CA 3.07Å; K549-P554 HydrophobicContact CG-CB 4.43Å
555T89.7Confident85.7Confident22 Ų2263.7 Ų63.714%0.13533%0.325CS..  trans-105.8147.9-178.555.90000111.9V492 G493 L495 Y548 A550V492-T555 HydrophobicContact CG1-CG2 4.41Å; G493-T555 WeakPolarHBondContact O-CA 3.44Å; L495-T555 HydrophobicContact CD2-CG2 3.73Å; Y548-T555 PolarHBondContact O-N 3.46Å; Y548-T555 PolarHBondContact O-OG1 3.47Å; A550-T555 HydrophobicContact CB-CG2 3.62Å
556K92.3Very high85.9Confident117 Ų11760.2 Ų60.251%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-100.8148.3167.6-74-179.2-179.6-179.90110.2W491 V492 G493 Q494W491-K556 HydrophobicContact CH2-CB 4.5Å; W491-K556 HydrophobicContact CZ3-CB 4.07Å; V492-K556 CarbonylContact C-O 3.56Å; V492-K556 WeakPolarHBondContact CA-O 3.44Å; G493-K556 PolarHBondContact N-O 3.23Å; G493-K556 PolarHBondContact O-N 3.47Å; Q494-K556 HydrophobicContact CG-CD 4.29Å; Q494-K556 HydrophobicContact CG-CG 4.38Å; Q494-K556 VanDerWaalsContact OE1-CE 3.26Å
557I94.7Very high86.6Confident22 Ų2263.4 Ų63.411%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-135.4140178.6-172.2167.7000110.7L490 W491 V492 L508 L540 L543L490-I557 HydrophobicContact CD1-CD1 4.29Å; L490-I557 HydrophobicContact CD2-CD1 4.5Å; W491-I557 CarbonylContact O-C 3.51Å; W491-I557 VanDerWaalsContact O-CA 3.29Å; W491-I557 WeakPolarHBondContact O-CA 3.47Å; V492-I557 HydrophobicContact CG2-CB 4.37Å; V492-I557 HydrophobicContact CG2-CD1 3.92Å; V492-I557 HydrophobicContact CG2-CG1 3.93Å; L508-I557 HydrophobicContact CD2-CD1 4.38Å; L540-I557 HydrophobicContact CD1-CB 4.28Å; L540-I557 HydrophobicContact CD1-CG1 3.84Å; L540-I557 HydrophobicContact CD1-CG2 3.94Å; L543-I557 HydrophobicContact CB-CD1 4.06Å; L543-I557 HydrophobicContact CB-CG2 3.86Å; L543-I557 HydrophobicContact CD1-CD1 3.66Å; L543-I557 HydrophobicContact CG-CD1 4.49Å
558A95.9Very high87.4Confident34 Ų3461.7 Ų61.728%0.28132%0.318SS..EExtended strand (participates in β ladder)trans-151.5170.6-179.600000111.4W491W491-A558 HydrophobicContact CE3-CB 3.94Å; W491-A558 PolarHBondContact N-O 3.03Å; W491-A558 PolarHBondContact O-N 3.46Å
559W96.9Very high87.9Confident19 Ų1959.3 Ų59.37%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-66.9137.4166.9-70.8119.9000111.5L490 R533 A536 Y537 L540 W573 E576 G578L490-W559 HydrophobicContact CD2-CE3 3.83Å; L490-W559 HydrophobicContact CD2-CH2 3.96Å; L490-W559 HydrophobicContact CD2-CZ3 3.51Å; L490-W559 HydrophobicContact CG-CZ3 4.26Å; R533-W559 VanDerWaalsContact NH2-CZ2 3.26Å; A536-W559 HydrophobicContact CB-CH2 3.93Å; A536-W559 HydrophobicContact CB-CZ3 3.86Å; Y537-W559 HydrophobicContact CD2-CZ2 4.28Å; L540-W559 HydrophobicContact CB-CH2 4.44Å; L540-W559 HydrophobicContact CB-CZ2 4.27Å; L540-W559 HydrophobicContact CD2-CD2 3.88Å; L540-W559 HydrophobicContact CD2-CG 4.11Å; L540-W559 HydrophobicContact CD2-CH2 4.25Å; L540-W559 HydrophobicContact CD2-CZ2 3.45Å; L540-W559 VanDerWaalsContact CD2-CZ2 3.45Å; L540-W559 HydrophobicContact CG-CZ2 4.49Å; W559-W573 HydrophobicContact CB-CH2 4.19Å; W559-W573 HydrophobicContact CB-CZ2 3.86Å; W559-E576 PolarHBondContact NE1-O 2.98Å; W559-G578 VanDerWaalsContact CD1-N 3.3Å
560A95.9Very high88.4Confident4 Ų458.8 Ų58.83%0.03331%0.307CS..  trans-105.6145.1167.300000110.4S487 T489 W491 Y527 W573S487-A560 WeakPolarHBondContact CB-O 3.07Å; S487-A560 PolarHBondContact OG-O 3.13Å; T489-A560 HydrophobicContact CG2-CB 3.67Å; T489-A560 PolarHBondContact O-N 3.45Å; W491-A560 HydrophobicContact CB-CB 4.15Å; Y527-A560 HydrophobicContact CD1-CB 3.53Å; Y527-A560 HydrophobicContact CE1-CB 3.7Å; A560-W573 VanDerWaalsContact C-CZ2 3.43Å; A560-W573 WeakPolarHBondContact O-CH2 3.29Å; A560-W573 WeakPolarHBondContact O-CZ2 3.34Å
561L92.9Very high89.1Confident50 Ų5066.4 Ų66.426%0.26234%0.34SS..  trans-64.5133.1168.9-178.676.6000109.5I565 K570 W573L561-I565 HydrophobicContact CD1-CB 3.91Å; L561-I565 HydrophobicContact CD1-CG1 3.89Å; L561-I565 HydrophobicContact CD1-CG2 4Å; L561-I565 HydrophobicContact CD2-CB 4.37Å; L561-I565 HydrophobicContact CG-CB 4.12Å; L561-I565 HydrophobicContact CG-CG1 4.31Å; L561-K570 HydrophobicContact CD2-CB 4.45Å; L561-K570 HydrophobicContact CD2-CD 3.64Å; L561-K570 HydrophobicContact CD2-CG 3.74Å; L561-W573 HydrophobicContact CB-CD2 4.4Å; L561-W573 HydrophobicContact CB-CZ2 4.44Å; L561-W573 HydrophobicContact CD1-CB 3.94Å; L561-W573 HydrophobicContact CD1-CD2 3.57Å; L561-W573 HydrophobicContact CD1-CE3 3.63Å; L561-W573 HydrophobicContact CD1-CG 3.72Å; L561-W573 HydrophobicContact CD1-CZ3 4.31Å
562N90.4Very high89.9Confident2 Ų265.3 Ų65.31%0.01133%0.331CS..  trans-59.4143.1177-23.920000110.5V485 S487 G564 I565 E597 G599V485-N562 WeakPolarHBondContact CG1-ND2 3.27Å; S487-N562 VanDerWaalsContact CB-OD1 3.29Å; S487-N562 WeakPolarHBondContact CB-OD1 3.35Å; N562-G564 PolarHBondContact O-N 3.33Å; N562-I565 HydrophobicContact CB-CG1 3.99Å; N562-I565 PolarHBondContact O-N 3.45Å; N562-I565 VanDerWaalsContact O-N 3.17Å; N562-E597 WeakPolarHBondContact CB-O 3.43Å; N562-G599 WeakPolarHBondContact ND2-CA 3.46Å
563K88.7Confident90.8Very high162 Ų16259.2 Ų59.270%0.70430%0.301SS*.THydrogen-bonded Turntrans-57.9-37.2178.8-176.6-178.6156-156.50111.8I565 E597K563-I565 VanDerWaalsContact C-N 3.3Å; K563-I565 PolarHBondContact O-N 3.3Å; K563-E597 HydrophobicContact CB-CG 4.21Å; K563-E597 VanDerWaalsContact CD-CD 3.45Å; K563-E597 HydrophobicContact CD-CG 4.26Å; K563-E597 WeakPolarHBondContact CD-OE1 3.05Å; K563-E597 VanDerWaalsContact CD-OE2 3.26Å; K563-E597 WeakPolarHBondContact CD-OE2 3.19Å; K563-E597 VanDerWaalsContact CE-OE1 3.24Å; K563-E597 WeakPolarHBondContact CE-OE1 3.27Å; K563-E597 VanDerWaalsContact CE-OE2 3.23Å; K563-E597 WeakPolarHBondContact CE-OE2 3.32Å; K563-E597 VanDerWaalsContact CG-OE2 3.28Å; K563-E597 WeakPolarHBondContact CG-OE2 3.49Å; K563-E597 PolarHBondContact N-O 3.23Å; K563-E597 IonicContact NZ-OE1 3.64Å; K563-E597 PolarHBondContact NZ-OE1 3.42Å; K563-E597 IonicContact NZ-OE2 2.85Å
564G85.4Confident91.2Very high9 Ų956.8 Ų56.89%0.09329%0.292CS..THydrogen-bonded Turntrans-69.4-9.617900000117.4N562 K566 S594 E597N562-G564 PolarHBondContact O-N 3.33Å; G564-K566 PolarHBondContact O-N 3.08Å; G564-K566 VanDerWaalsContact O-N 3.09Å; G564-S594 VanDerWaalsContact CA-O 3.23Å; G564-S594 WeakPolarHBondContact CA-O 3.33Å; G564-E597 PolarHBondContact N-O 3.43Å; G564-E597 VanDerWaalsContact N-O 3.09Å
565I92.1Very high91.6Very high5 Ų558.3 Ų58.33%0.02630%0.3CS..  trans-76.1105.1-178.3-57-63.5000110.8V485 L561 N562 K563 H569 K570 T580 Y595V485-I565 HydrophobicContact CB-CD1 4.2Å; V485-I565 HydrophobicContact CG1-CD1 3.94Å; V485-I565 HydrophobicContact CG2-CD1 4.49Å; L561-I565 HydrophobicContact CD1-CB 3.91Å; L561-I565 HydrophobicContact CD1-CG1 3.89Å; L561-I565 HydrophobicContact CD1-CG2 4Å; L561-I565 HydrophobicContact CD2-CB 4.37Å; L561-I565 HydrophobicContact CG-CB 4.12Å; L561-I565 HydrophobicContact CG-CG1 4.31Å; N562-I565 HydrophobicContact CB-CG1 3.99Å; N562-I565 PolarHBondContact O-N 3.45Å; N562-I565 VanDerWaalsContact O-N 3.17Å; K563-I565 VanDerWaalsContact C-N 3.3Å; K563-I565 PolarHBondContact O-N 3.3Å; I565-H569 HydrophobicContact CG2-CB 4.12Å; I565-K570 HydrophobicContact CG2-CG 4.21Å; I565-K570 WeakPolarHBondContact O-CE 3.12Å; I565-T580 HydrophobicContact CD1-CG2 4.29Å; I565-T580 WeakPolarHBondContact CD1-OG1 3.36Å; I565-T580 HydrophobicContact CG2-CG2 4.23Å; I565-Y595 HydrophobicContact CD1-CD1 3.95Å
566K89.3Confident91.6Very high94 Ų9463.9 Ų63.941%0.40932%0.324SS..  trans-48.2142.7173.5-65.1-169.1176.5-170.70112.2G564 A568 H569 K570 E591 Y595G564-K566 PolarHBondContact O-N 3.08Å; G564-K566 VanDerWaalsContact O-N 3.09Å; K566-A568 VanDerWaalsContact C-N 3.29Å; K566-A568 PolarHBondContact O-N 3.39Å; K566-H569 PolarHBondContact O-N 2.65Å; K566-K570 PolarHBondContact O-N 3.1Å; K566-E591 WeakPolarHBondContact CE-OE1 3.48Å; K566-E591 IonicContact NZ-OE1 3.55Å; K566-E591 PolarHBondContact NZ-OE1 2.87Å; K566-Y595 HydrophobicContact CG-CE1 4.36Å
567S87.6Confident91.5Very high103 Ų10361.5 Ų61.572%0.7232%0.315SS*.G310 helixtrans-47.5-46.3-17851.30000113.6H569 K570S567-H569 PolarHBondContact O-N 3.25Å; S567-H569 VanDerWaalsContact O-N 3.16Å; S567-K570 PolarHBondContact O-N 2.76Å
568A88.4Confident91.4Very high57 Ų5760.4 Ų60.447%0.47131%0.309SS..G310 helixtrans-60.1-23.5178.700000114.5K566 K571K566-A568 VanDerWaalsContact C-N 3.29Å; K566-A568 PolarHBondContact O-N 3.39Å; A568-K571 VanDerWaalsContact O-CE 3.27Å; A568-K571 WeakPolarHBondContact O-CE 3.32Å
569H89.9Confident91.4Very high19 Ų1958.8 Ų58.89%0.08830%0.296CS..G310 helixtrans-101.5-7.6-175.3-61.3161000113.5I565 K566 S567 K571 F572 I582 K586 Y595I565-H569 HydrophobicContact CG2-CB 4.12Å; K566-H569 PolarHBondContact O-N 2.65Å; S567-H569 PolarHBondContact O-N 3.25Å; S567-H569 VanDerWaalsContact O-N 3.16Å; H569-K571 PolarHBondContact O-N 2.97Å; H569-K571 VanDerWaalsContact O-N 3.11Å; H569-F572 HydrophobicContact CB-CD2 4.27Å; H569-F572 WeakPolarHBondContact O-CB 3.39Å; H569-F572 PolarHBondContact O-N 3.45Å; H569-I582 HydrophobicContact CB-CD1 4.22Å; H569-I582 HydrophobicContact CB-CG1 4.44Å; H569-K586 PolarHBondContact CE1-O 3.21Å; H569-K586 PolarHBondContact NE2-O 2.78Å; H569-Y595 PolarHBondContact CE1-OH 3.34Å; H569-Y595 VanDerWaalsContact CE1-OH 3.26Å; H569-Y595 AromaticContact ND1-CZ 3.79Å; H569-Y595 PolarHBondContact ND1-OH 3.32Å
570K91.5Very high91.2Very high112 Ų11257.9 Ų57.949%0.48729%0.293SS..G310 helixtrans-57.9-26.1176.3-60.2-167.6176.5-174.40113.7L561 I565 K566 S567 F572 W573L561-K570 HydrophobicContact CD2-CB 4.45Å; L561-K570 HydrophobicContact CD2-CD 3.64Å; L561-K570 HydrophobicContact CD2-CG 3.74Å; I565-K570 HydrophobicContact CG2-CG 4.21Å; I565-K570 WeakPolarHBondContact O-CE 3.12Å; K566-K570 PolarHBondContact O-N 3.1Å; S567-K570 PolarHBondContact O-N 2.76Å; K570-F572 PolarHBondContact O-N 3.12Å; K570-W573 VanDerWaalsContact O-CB 3.23Å; K570-W573 WeakPolarHBondContact O-CB 3.26Å; K570-W573 PolarHBondContact O-N 2.83Å
571K90.1Very high91.2Very high165 Ų16558.3 Ų58.372%0.71729%0.293SS*.G310 helixtrans-68.5-8.217466.9-171.4173.8-165.60115.1A568 H569A568-K571 VanDerWaalsContact O-CE 3.27Å; A568-K571 WeakPolarHBondContact O-CE 3.32Å; H569-K571 PolarHBondContact O-N 2.97Å; H569-K571 VanDerWaalsContact O-N 3.11Å
572F91.6Very high91.2Very high51 Ų5156 Ų5622%0.22428%0.281CS..G310 helixtrans-1039.1175.8-56.4-61.3000113.1H569 K570 T580 Y581 P583 K586H569-F572 HydrophobicContact CB-CD2 4.27Å; H569-F572 WeakPolarHBondContact O-CB 3.39Å; H569-F572 PolarHBondContact O-N 3.45Å; K570-F572 PolarHBondContact O-N 3.12Å; F572-T580 HydrophobicContact CB-CG2 3.86Å; F572-T580 WeakPolarHBondContact O-CA 3.5Å; F572-Y581 WeakPolarHBondContact CB-O 3.09Å; F572-Y581 PolarHBondContact O-N 3.15Å; F572-P583 HydrophobicContact CE1-CG 4.22Å; F572-P583 HydrophobicContact CZ-CG 4.22Å; F572-K586 HydrophobicContact CE2-CD 4.44Å; F572-K586 HydrophobicContact CZ-CD 4.21Å
573W94.5Very high91.2Very high50 Ų5057.3 Ų57.319%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-78.1125.4179.6174.9-117.5000112.5W559 A560 L561 K570 G578 V579W559-W573 HydrophobicContact CB-CH2 4.19Å; W559-W573 HydrophobicContact CB-CZ2 3.86Å; A560-W573 VanDerWaalsContact C-CZ2 3.43Å; A560-W573 WeakPolarHBondContact O-CH2 3.29Å; A560-W573 WeakPolarHBondContact O-CZ2 3.34Å; L561-W573 HydrophobicContact CB-CD2 4.4Å; L561-W573 HydrophobicContact CB-CZ2 4.44Å; L561-W573 HydrophobicContact CD1-CB 3.94Å; L561-W573 HydrophobicContact CD1-CD2 3.57Å; L561-W573 HydrophobicContact CD1-CE3 3.63Å; L561-W573 HydrophobicContact CD1-CG 3.72Å; L561-W573 HydrophobicContact CD1-CZ3 4.31Å; K570-W573 VanDerWaalsContact O-CB 3.23Å; K570-W573 WeakPolarHBondContact O-CB 3.26Å; K570-W573 PolarHBondContact O-N 2.83Å; W573-G578 VanDerWaalsContact CH2-CA 3.45Å; W573-G578 VanDerWaalsContact CZ3-C 3.46Å; W573-V579 VanDerWaalsContact CZ3-N 3.3Å
574D92.8Very high91.3Very high31 Ų3151.9 Ų51.917%0.16627%0.265CS..EExtended strand (participates in β ladder)trans-96.5106.7170.3-169.7-43.9000109.4E576 Q577 G578 V579 Y581D574-E576 VanDerWaalsContact C-N 3.31Å; D574-E576 PolarHBondContact O-N 3.07Å; D574-E576 WeakPolarHBondContact OD1-CB 3.45Å; D574-E576 PolarHBondContact OD1-N 3.44Å; D574-Q577 HydrophobicContact CB-CB 4.35Å; D574-Q577 PolarHBondContact OD1-N 2.79Å; D574-G578 WeakPolarHBondContact O-CA 3.13Å; D574-G578 PolarHBondContact O-N 3.45Å; D574-V579 HydrophobicContact CB-CG1 3.98Å; D574-V579 PolarHBondContact N-O 3.33Å; D574-V579 PolarHBondContact O-N 3.06Å; D574-Y581 HydrophobicContact CB-CD2 4.44Å; D574-Y581 HydrophobicContact CB-CE2 4.3Å
575V92Very high91.4Very high97 Ų9757.2 Ų57.259%0.58830%0.301SS*.THydrogen-bonded Turntrans-68.4-28.8-178.8-1730000112.2
576E90.9Very high91.1Very high138 Ų13862.5 Ų62.565%0.64532%0.324SS*.THydrogen-bonded Turntrans-76.3-40.9-178.2-57.9-175.1135.300110.7K18 W559 D574K18-E576 IonicContact NZ-OE2 3.14Å; K18-E576 PolarHBondContact NZ-OE2 3.08Å; W559-E576 PolarHBondContact NE1-O 2.98Å; D574-E576 VanDerWaalsContact C-N 3.31Å; D574-E576 PolarHBondContact O-N 3.07Å; D574-E576 WeakPolarHBondContact OD1-CB 3.45Å; D574-E576 PolarHBondContact OD1-N 3.44Å
577Q89.1Confident91.1Very high67 Ų6758.7 Ų58.731%0.31331%0.308SS..THydrogen-bonded Turntrans-96.4-18.6-175.3-61.6-170.428.400114.1P476 R533 D574 V579 Y581P476-Q577 HydrophobicContact CB-CB 4.48Å; R533-Q577 PolarHBondContact NH2-O 3.05Å; D574-Q577 HydrophobicContact CB-CB 4.35Å; D574-Q577 PolarHBondContact OD1-N 2.79Å; Q577-V579 HydrophobicContact CB-CG1 3.73Å; Q577-Y581 PolarHBondContact OE1-OH 3.06Å
578G93.9Very high91Very high0 Ų059.6 Ų59.60%030%0.299CS..THydrogen-bonded Turntrans69.252.7-178.300000112.1S487 R533 W559 W573 D574S487-G578 PolarHBondContact N-O 3.3Å; R533-G578 PolarHBondContact NH2-O 2.92Å; W559-G578 VanDerWaalsContact CD1-N 3.3Å; W573-G578 VanDerWaalsContact CH2-CA 3.45Å; W573-G578 VanDerWaalsContact CZ3-C 3.46Å; D574-G578 WeakPolarHBondContact O-CA 3.13Å; D574-G578 PolarHBondContact O-N 3.45Å
579V94.5Very high90.8Very high0 Ų060.1 Ų60.10%030%0.296CS..EExtended strand (participates in β ladder)trans-148.5141.1-177.4530000111.2P476 V485 W573 D574 Q577 Y581P476-V579 HydrophobicContact CB-CG1 4.06Å; P476-V579 HydrophobicContact CG-CB 4.02Å; P476-V579 HydrophobicContact CG-CG1 3.97Å; P476-V579 HydrophobicContact CG-CG2 3.96Å; V485-V579 CarbonylContact O-C 3.37Å; V485-V579 VanDerWaalsContact O-CA 3.28Å; V485-V579 WeakPolarHBondContact O-CA 3.44Å; W573-V579 VanDerWaalsContact CZ3-N 3.3Å; D574-V579 HydrophobicContact CB-CG1 3.98Å; D574-V579 PolarHBondContact N-O 3.33Å; D574-V579 PolarHBondContact O-N 3.06Å; Q577-V579 HydrophobicContact CB-CG1 3.73Å; V579-Y581 HydrophobicContact CB-CE2 4.4Å; V579-Y581 HydrophobicContact CG1-CD2 3.93Å; V579-Y581 HydrophobicContact CG1-CE2 3.32Å; V579-Y581 HydrophobicContact CG2-CD1 4.42Å; V579-Y581 HydrophobicContact CG2-CD2 4.29Å; V579-Y581 HydrophobicContact CG2-CE1 4.31Å; V579-Y581 HydrophobicContact CG2-CE2 4.19Å; V579-Y581 HydrophobicContact CG2-CG 4.45Å
580T94.6Very high90.6Very high0 Ų066.3 Ų66.30%033%0.325CS..EExtended strand (participates in β ladder)trans-99.9121.1168.3-46.20000109.4V485 I565 F572 I582V485-T580 PolarHBondContact N-O 2.88Å; V485-T580 PolarHBondContact O-N 3.19Å; I565-T580 HydrophobicContact CD1-CG2 4.29Å; I565-T580 WeakPolarHBondContact CD1-OG1 3.36Å; I565-T580 HydrophobicContact CG2-CG2 4.23Å; F572-T580 HydrophobicContact CB-CG2 3.86Å; F572-T580 WeakPolarHBondContact O-CA 3.5Å; T580-I582 HydrophobicContact CG2-CD1 4.18Å; T580-I582 HydrophobicContact CG2-CG1 3.64Å
581Y94.1Very high90.3Very high13 Ų1361.7 Ų61.75%0.05131%0.306CS..EExtended strand (participates in β ladder)trans-98.481.7-179.8-73-77.3000111.1S477 K479 S484 F572 D574 Q577 V579 P583S477-Y581 PolarHBondContact O-OH 3.44Å; K479-Y581 HydrophobicContact CB-CD1 4.04Å; K479-Y581 HydrophobicContact CB-CE1 4.02Å; K479-Y581 HydrophobicContact CD-CD1 3.58Å; K479-Y581 HydrophobicContact CD-CD2 4.21Å; K479-Y581 HydrophobicContact CD-CE1 3.54Å; K479-Y581 HydrophobicContact CD-CE2 4.15Å; K479-Y581 HydrophobicContact CD-CG 3.89Å; K479-Y581 HydrophobicContact CG-CD1 4.01Å; K479-Y581 HydrophobicContact CG-CE1 3.66Å; S484-Y581 VanDerWaalsContact OG-CD1 3.31Å; S484-Y581 WeakPolarHBondContact OG-CD1 3.23Å; S484-Y581 VanDerWaalsContact OG-CE1 3.3Å; S484-Y581 WeakPolarHBondContact OG-CE1 3.2Å; F572-Y581 WeakPolarHBondContact CB-O 3.09Å; F572-Y581 PolarHBondContact O-N 3.15Å; D574-Y581 HydrophobicContact CB-CD2 4.44Å; D574-Y581 HydrophobicContact CB-CE2 4.3Å; Q577-Y581 PolarHBondContact OE1-OH 3.06Å; V579-Y581 HydrophobicContact CB-CE2 4.4Å; V579-Y581 HydrophobicContact CG1-CD2 3.93Å; V579-Y581 HydrophobicContact CG1-CE2 3.32Å; V579-Y581 HydrophobicContact CG2-CD1 4.42Å; V579-Y581 HydrophobicContact CG2-CD2 4.29Å; V579-Y581 HydrophobicContact CG2-CE1 4.31Å; V579-Y581 HydrophobicContact CG2-CE2 4.19Å; V579-Y581 HydrophobicContact CG2-CG 4.45Å; Y581-P583 WeakPolarHBondContact O-CD 3.28Å
582I93.3Very high90.1Very high0 Ų054.5 Ų54.50%028%0.275CS..EExtended strand (participates in β ladder)trans-86.1121.1-173.2-45.4176.3000109.6T482 L483 V485 H569 T580 W584 K586 V587 Y595T482-I582 CarbonylContact C-O 3.5Å; T482-I582 WeakPolarHBondContact CA-O 3.43Å; L483-I582 PolarHBondContact N-O 3.42Å; L483-I582 PolarHBondContact O-N 2.85Å; V485-I582 HydrophobicContact CG2-CD1 3.96Å; V485-I582 HydrophobicContact CG2-CG1 4.46Å; H569-I582 HydrophobicContact CB-CD1 4.22Å; H569-I582 HydrophobicContact CB-CG1 4.44Å; T580-I582 HydrophobicContact CG2-CD1 4.18Å; T580-I582 HydrophobicContact CG2-CG1 3.64Å; I582-W584 PolarHBondContact O-N 3.24Å; I582-K586 HydrophobicContact CG2-CB 4.38Å; I582-V587 HydrophobicContact CB-CG2 3.84Å; I582-V587 HydrophobicContact CG2-CG2 3.51Å; I582-Y595 HydrophobicContact CD1-CD1 4.38Å; I582-Y595 HydrophobicContact CD1-CD2 4.31Å; I582-Y595 HydrophobicContact CD1-CE1 4.04Å; I582-Y595 HydrophobicContact CD1-CE2 3.99Å
583P91.9Very high89.8Confident31 Ų3159.5 Ų59.520%0.20130%0.299CS..EExtended strand (participates in β ladder)trans-58.9138.1176.2-23.734.7000111.9F572 Y581 S585 K586F572-P583 HydrophobicContact CE1-CG 4.22Å; F572-P583 HydrophobicContact CZ-CG 4.22Å; Y581-P583 WeakPolarHBondContact O-CD 3.28Å; P583-S585 PolarHBondContact O-N 2.89Å; P583-S585 VanDerWaalsContact O-N 3.14Å; P583-K586 HydrophobicContact CG-CD 4.4Å; P583-K586 PolarHBondContact O-N 3.49Å
584W90.4Very high89.6Confident48 Ų4859.2 Ų59.218%0.18230%0.304CS..G310 helixtrans-55.1-37.7-174.8-66.6-23.9000113Q481 T482 I582 K586 V587 T605 N607 W610Q481-W584 HydrophobicContact CB-CE3 4.45Å; Q481-W584 PolarHBondContact O-N 3.36Å; T482-W584 VanDerWaalsContact C-NE1 3.26Å; T482-W584 PolarHBondContact O-NE1 3.08Å; I582-W584 PolarHBondContact O-N 3.24Å; W584-K586 PolarHBondContact O-N 2.82Å; W584-V587 PolarHBondContact O-N 3.37Å; W584-V587 VanDerWaalsContact O-N 3.15Å; W584-T605 PolarHBondContact NE1-O 3.35Å; W584-N607 HydrophobicContact CD2-CB 3.8Å; W584-N607 HydrophobicContact CE3-CB 4.12Å; W584-N607 HydrophobicContact CG-CB 4Å; W584-W610 HydrophobicContact CB-CH2 4.12Å; W584-W610 HydrophobicContact CB-CZ2 4.11Å; W584-W610 AromaticContact CD1-CH2 3.67Å; W584-W610 HydrophobicContact CG-CH2 4.1Å; W584-W610 HydrophobicContact CG-CZ2 4.47Å
585S87.1Confident89.4Confident121 Ų12157.7 Ų57.785%0.84630%0.296SS*.G310 helixtrans-63.8-2.7175.8-33.80000115.2P583P583-S585 PolarHBondContact O-N 2.89Å; P583-S585 VanDerWaalsContact O-N 3.14Å
586K85.7Confident89.3Confident116 Ų11657.9 Ų57.950%0.50429%0.291SS..G310 helixtrans-123.17.6-179.1-66.9172.9-179163.70112.5H569 F572 I582 P583 W584H569-K586 PolarHBondContact CE1-O 3.21Å; H569-K586 PolarHBondContact NE2-O 2.78Å; F572-K586 HydrophobicContact CE2-CD 4.44Å; F572-K586 HydrophobicContact CZ-CD 4.21Å; I582-K586 HydrophobicContact CG2-CB 4.38Å; P583-K586 HydrophobicContact CG-CD 4.4Å; P583-K586 PolarHBondContact O-N 3.49Å; W584-K586 PolarHBondContact O-N 2.82Å
587V88.8Confident89.2Confident13 Ų1355.2 Ų55.28%0.07928%0.278CS..  trans-106.4127.4176.71740000109L483 I582 W584 L592 Y595 W610L483-V587 HydrophobicContact CB-CG2 4.23Å; L483-V587 HydrophobicContact CD2-CG1 3.98Å; L483-V587 HydrophobicContact CD2-CG2 4.06Å; I582-V587 HydrophobicContact CB-CG2 3.84Å; I582-V587 HydrophobicContact CG2-CG2 3.51Å; W584-V587 PolarHBondContact O-N 3.37Å; W584-V587 VanDerWaalsContact O-N 3.15Å; V587-L592 HydrophobicContact CG1-CD1 3.36Å; V587-Y595 HydrophobicContact CG1-CE2 4.34Å; V587-W610 HydrophobicContact CB-CH2 3.54Å; V587-W610 HydrophobicContact CB-CZ2 3.8Å; V587-W610 HydrophobicContact CB-CZ3 4.46Å; V587-W610 HydrophobicContact CG1-CH2 3.5Å; V587-W610 VanDerWaalsContact CG1-CH2 3.5Å; V587-W610 HydrophobicContact CG1-CZ2 3.9Å; V587-W610 HydrophobicContact CG1-CZ3 3.97Å; V587-W610 HydrophobicContact CG2-CH2 4.07Å
588K86.9Confident89.1Confident123 Ų12352.1 Ų52.154%0.53526%0.264SS..  trans-94.8149.3165.5-58.3-177.1175.1-167.70110.6E590 E591 L592K588-E590 VanDerWaalsContact C-N 3.28Å; K588-E590 PolarHBondContact O-N 2.67Å; K588-E591 HydrophobicContact CB-CG 3.94Å; K588-E591 PolarHBondContact N-OE2 3.03Å; K588-E591 WeakPolarHBondContact O-CB 3.44Å; K588-E591 PolarHBondContact O-N 2.95Å; K588-L592 WeakPolarHBondContact O-CD1 3.43Å
589V84.1Confident88.9Confident67 Ų6752.4 Ų52.441%0.40627%0.268SS..THydrogen-bonded Turntrans-60.8-37.9-179-176.90000111.6E591 L592 W610V589-E591 PolarHBondContact O-N 3.06Å; V589-E591 VanDerWaalsContact O-N 3.15Å; V589-L592 PolarHBondContact O-N 3.24Å; V589-W610 HydrophobicContact CG2-CG 4.22Å
590E84.5Confident88.7Confident150 Ų15055.7 Ų55.770%0.70128%0.284SS*.THydrogen-bonded Turntrans-56.2-26.5173.9-59.4120.6-133.700113.8K588K588-E590 VanDerWaalsContact C-N 3.28Å; K588-E590 PolarHBondContact O-N 2.67Å
591E85.3Confident88.5Confident15 Ų1556.9 Ų56.97%0.0729%0.29CS..Hα-helixtrans-86.6-16.4-171.4-59.7175.1155.700112.9K566 K588 V589 E593 S594 Y595K566-E591 WeakPolarHBondContact CE-OE1 3.48Å; K566-E591 IonicContact NZ-OE1 3.55Å; K566-E591 PolarHBondContact NZ-OE1 2.87Å; K588-E591 HydrophobicContact CB-CG 3.94Å; K588-E591 PolarHBondContact N-OE2 3.03Å; K588-E591 WeakPolarHBondContact O-CB 3.44Å; K588-E591 PolarHBondContact O-N 2.95Å; V589-E591 PolarHBondContact O-N 3.06Å; V589-E591 VanDerWaalsContact O-N 3.15Å; E591-E593 PolarHBondContact O-N 3.08Å; E591-S594 PolarHBondContact O-N 3.21Å; E591-S594 PolarHBondContact O-OG 2.86Å; E591-Y595 HydrophobicContact CB-CD2 4.05Å; E591-Y595 HydrophobicContact CB-CE1 4.44Å; E591-Y595 HydrophobicContact CB-CE2 3.36Å; E591-Y595 VanDerWaalsContact CD-OH 3.31Å; E591-Y595 WeakPolarHBondContact O-CD2 3.05Å; E591-Y595 VanDerWaalsContact O-CG 3.31Å; E591-Y595 PolarHBondContact O-N 2.89Å; E591-Y595 PolarHBondContact OE2-OH 2.88Å
592L86.1Confident88.3Confident13 Ų1356.3 Ų56.37%0.06829%0.288CS..Hα-helixtrans-59.7-32.7-178.8-88.662.4000112.4L483 V587 K588 V589 Q596 L601 L606 W610L483-L592 HydrophobicContact CD2-CD1 4.38Å; V587-L592 HydrophobicContact CG1-CD1 3.36Å; K588-L592 WeakPolarHBondContact O-CD1 3.43Å; V589-L592 PolarHBondContact O-N 3.24Å; L592-Q596 PolarHBondContact O-NE2 3.12Å; L592-L601 HydrophobicContact CB-CD1 3.88Å; L592-L601 HydrophobicContact CD2-CD1 4.16Å; L592-L601 HydrophobicContact CG-CD1 3.79Å; L592-L606 HydrophobicContact CD2-CD2 3.91Å; L592-W610 HydrophobicContact CD2-CE3 4.31Å
593E86.1Confident87.9Confident157 Ų15760.5 Ų60.573%0.73432%0.315SS*.Hα-helixtrans-69.3-46.8174.2-69.5175.9-168.300110.6E591 Y595 Q596E591-E593 PolarHBondContact O-N 3.08Å; E593-Y595 VanDerWaalsContact C-N 3.3Å; E593-Y595 PolarHBondContact O-N 2.96Å; E593-Q596 PolarHBondContact O-N 2.82Å; E593-Q596 VanDerWaalsContact O-N 3.12Å
594S89.2Confident87.4Confident43 Ų4364.3 Ų64.330%0.30133%0.33SS..Hα-helixtrans-59.4-39.1175.168.70000112.7G564 E591 Q596 E597G564-S594 VanDerWaalsContact CA-O 3.23Å; G564-S594 WeakPolarHBondContact CA-O 3.33Å; E591-S594 PolarHBondContact O-N 3.21Å; E591-S594 PolarHBondContact O-OG 2.86Å; S594-Q596 PolarHBondContact O-N 3.38Å; S594-Q596 VanDerWaalsContact O-N 3.13Å; S594-E597 WeakPolarHBondContact O-CB 3.31Å; S594-E597 PolarHBondContact O-N 3.16Å
595Y89.7Confident87.3Confident0 Ų062.2 Ų62.20%032%0.323CS..THydrogen-bonded Turntrans-67.2-12179.7-63.1-35.8000114.7L483 V485 I565 K566 H569 I582 V587 E591 E593L483-Y595 HydrophobicContact CD2-CD2 4.46Å; V485-Y595 VanDerWaalsContact CG1-O 3.25Å; V485-Y595 WeakPolarHBondContact CG1-O 3.43Å; V485-Y595 HydrophobicContact CG2-CG 4.36Å; I565-Y595 HydrophobicContact CD1-CD1 3.95Å; K566-Y595 HydrophobicContact CG-CE1 4.36Å; H569-Y595 PolarHBondContact CE1-OH 3.34Å; H569-Y595 VanDerWaalsContact CE1-OH 3.26Å; H569-Y595 AromaticContact ND1-CZ 3.79Å; H569-Y595 PolarHBondContact ND1-OH 3.32Å; I582-Y595 HydrophobicContact CD1-CD1 4.38Å; I582-Y595 HydrophobicContact CD1-CD2 4.31Å; I582-Y595 HydrophobicContact CD1-CE1 4.04Å; I582-Y595 HydrophobicContact CD1-CE2 3.99Å; V587-Y595 HydrophobicContact CG1-CE2 4.34Å; E591-Y595 HydrophobicContact CB-CD2 4.05Å; E591-Y595 HydrophobicContact CB-CE1 4.44Å; E591-Y595 HydrophobicContact CB-CE2 3.36Å; E591-Y595 VanDerWaalsContact CD-OH 3.31Å; E591-Y595 WeakPolarHBondContact O-CD2 3.05Å; E591-Y595 VanDerWaalsContact O-CG 3.31Å; E591-Y595 PolarHBondContact O-N 2.89Å; E591-Y595 PolarHBondContact OE2-OH 2.88Å; E593-Y595 VanDerWaalsContact C-N 3.3Å; E593-Y595 PolarHBondContact O-N 2.96Å
596Q88.9Confident87.1Confident100 Ų10059.1 Ų59.147%0.46730%0.296SS..THydrogen-bonded Turntrans-83.7-11.7172.3-69.8164.889.100113L592 E593 S594 G598 G599 L601L592-Q596 PolarHBondContact O-NE2 3.12Å; E593-Q596 PolarHBondContact O-N 2.82Å; E593-Q596 VanDerWaalsContact O-N 3.12Å; S594-Q596 PolarHBondContact O-N 3.38Å; S594-Q596 VanDerWaalsContact O-N 3.13Å; Q596-G598 PolarHBondContact O-N 2.81Å; Q596-G599 CarbonylContact C-O 3.53Å; Q596-G599 VanDerWaalsContact CA-O 3.25Å; Q596-G599 WeakPolarHBondContact CA-O 3.44Å; Q596-G599 PolarHBondContact O-N 2.94Å; Q596-L601 HydrophobicContact CG-CD1 4.32Å; Q596-L601 HydrophobicContact CG-CG 3.97Å
597E90Very high86.9Confident82 Ų8254.3 Ų54.338%0.38328%0.276SS..THydrogen-bonded Turntrans-72.598.7176.8-166.3-175.7-146.400111.3N562 K563 G564 S594N562-E597 WeakPolarHBondContact CB-O 3.43Å; K563-E597 HydrophobicContact CB-CG 4.21Å; K563-E597 VanDerWaalsContact CD-CD 3.45Å; K563-E597 HydrophobicContact CD-CG 4.26Å; K563-E597 WeakPolarHBondContact CD-OE1 3.05Å; K563-E597 VanDerWaalsContact CD-OE2 3.26Å; K563-E597 WeakPolarHBondContact CD-OE2 3.19Å; K563-E597 VanDerWaalsContact CE-OE1 3.24Å; K563-E597 WeakPolarHBondContact CE-OE1 3.27Å; K563-E597 VanDerWaalsContact CE-OE2 3.23Å; K563-E597 WeakPolarHBondContact CE-OE2 3.32Å; K563-E597 VanDerWaalsContact CG-OE2 3.28Å; K563-E597 WeakPolarHBondContact CG-OE2 3.49Å; K563-E597 PolarHBondContact N-O 3.23Å; K563-E597 IonicContact NZ-OE1 3.64Å; K563-E597 PolarHBondContact NZ-OE1 3.42Å; K563-E597 IonicContact NZ-OE2 2.85Å; G564-E597 PolarHBondContact N-O 3.43Å; G564-E597 VanDerWaalsContact N-O 3.09Å; S594-E597 WeakPolarHBondContact O-CB 3.31Å; S594-E597 PolarHBondContact O-N 3.16Å
598G85.8Confident86.1Confident2 Ų258 Ų582%0.02130%0.3CS..THydrogen-bonded Turntrans90.316.5-17600000114.9T488 T489 Q596T488-G598 PolarHBondContact N-O 2.94Å; T488-G598 VanDerWaalsContact N-O 3.1Å; T488-G598 PolarHBondContact OG1-O 2.61Å; T489-G598 PolarHBondContact N-O 2.98Å; T489-G598 WeakPolarHBondContact OG1-CA 3.04Å; T489-G598 PolarHBondContact OG1-O 2.92Å; Q596-G598 PolarHBondContact O-N 2.81Å
599G89.5Confident85.2Confident7 Ų758.6 Ų58.67%0.07231%0.305CS..EExtended strand (participates in β ladder)trans-176.3-177.8173.300000114.3C486 T488 N562 Q596C486-G599 CarbonylContact O-C 3.57Å; C486-G599 VanDerWaalsContact O-CA 3.3Å; C486-G599 WeakPolarHBondContact O-CA 3.25Å; T488-G599 WeakPolarHBondContact OG1-CA 3.42Å; T488-G599 PolarHBondContact OG1-N 2.89Å; N562-G599 WeakPolarHBondContact ND2-CA 3.46Å; Q596-G599 CarbonylContact C-O 3.53Å; Q596-G599 VanDerWaalsContact CA-O 3.25Å; Q596-G599 WeakPolarHBondContact CA-O 3.44Å; Q596-G599 PolarHBondContact O-N 2.94Å
600M90.6Very high84.6Confident68 Ų6857.1 Ų57.134%0.33529%0.292SS..EExtended strand (participates in β ladder)trans-116.5147.4179.869.7177.1-63.800112.2L475 C486 R533L475-M600 HydrophobicContact CD2-SD 4.16Å; C486-M600 HydrophobicContact CB-CG 4.01Å; C486-M600 PolarHBondContact N-O 3.4Å; C486-M600 PolarHBondContact O-N 3.41Å; R533-M600 HydrophobicContact CB-CG 4.11Å; R533-M600 HydrophobicContact CB-SD 3.39Å; R533-M600 WeakPolarHBondContact CB-SD 3.44Å; R533-M600 HydrophobicContact CG-CG 4.47Å; R533-M600 HydrophobicContact CG-SD 4.06Å
601L90.9Very high83.3Confident25 Ų2555.2 Ų55.213%0.13129%0.287CS..EExtended strand (participates in β ladder)trans-76.5132.8164.2-57.1-178.3000109L483 V485 L592 Q596 P603 L606L483-L601 HydrophobicContact CD1-CD2 4.3Å; L483-L601 HydrophobicContact CD2-CD2 4.12Å; L483-L601 HydrophobicContact CG-CD2 4.39Å; V485-L601 HydrophobicContact CB-CD2 4.43Å; V485-L601 HydrophobicContact CG1-CD2 4.17Å; V485-L601 HydrophobicContact CG2-CD2 3.85Å; L592-L601 HydrophobicContact CB-CD1 3.88Å; L592-L601 HydrophobicContact CD2-CD1 4.16Å; L592-L601 HydrophobicContact CG-CD1 3.79Å; Q596-L601 HydrophobicContact CG-CD1 4.32Å; Q596-L601 HydrophobicContact CG-CG 3.97Å; L601-P603 WeakPolarHBondContact O-CD 3.49Å; L601-L606 HydrophobicContact CD1-CD2 4.27Å
602D90.1Very high81.6Confident1 Ų159.2 Ų59.21%0.00531%0.309CS..  trans-78111.5170.3176.95.2000109.6R470 S484 E604 T605R470-D602 IonicContact CZ-OD1 3.58Å; R470-D602 IonicContact CZ-OD2 3.78Å; R470-D602 VanDerWaalsContact CZ-OD2 3.26Å; R470-D602 IonicContact NH1-OD1 2.65Å; R470-D602 PolarHBondContact NH1-OD1 2.85Å; R470-D602 IonicContact NH1-OD2 3.03Å; R470-D602 PolarHBondContact NH1-OD2 2.81Å; R470-D602 IonicContact NH2-OD2 4Å; R470-D602 PolarHBondContact NH2-OD2 2.9Å; S484-D602 WeakPolarHBondContact O-CB 3.18Å; S484-D602 PolarHBondContact O-N 2.77Å; S484-D602 VanDerWaalsContact O-N 3.1Å; D602-E604 PolarHBondContact O-N 3.24Å; D602-E604 PolarHBondContact OD1-N 2.8Å; D602-T605 HydrophobicContact CB-CG2 4.18Å; D602-T605 PolarHBondContact O-N 3.32Å; D602-T605 PolarHBondContact O-OG1 3.13Å; D602-T605 WeakPolarHBondContact OD2-CG2 3.35Å
603P85.4Confident79.6Confident88 Ų8861.1 Ų61.157%0.57133%0.326SS*.G310 helixtrans-65-23-171.627.3-35.4000113L601 T605 L606L601-P603 WeakPolarHBondContact O-CD 3.49Å; P603-T605 PolarHBondContact O-N 2.8Å; P603-L606 HydrophobicContact CB-CD1 4.49Å
604E81.4Confident77.6Confident111 Ų11160.2 Ų60.252%0.51932%0.32SS..G310 helixtrans-75-2175-63.2179.817500113R470 L478 D602R470-E604 WeakPolarHBondContact CD-OE2 3.34Å; R470-E604 IonicContact CZ-OE2 3.27Å; R470-E604 IonicContact NE-OE2 3.22Å; R470-E604 IonicContact NH1-OE2 2.62Å; R470-E604 PolarHBondContact NH1-OE2 3.09Å; L478-E604 HydrophobicContact CD2-CB 3.93Å; D602-E604 PolarHBondContact O-N 3.24Å; D602-E604 PolarHBondContact OD1-N 2.8Å
605T86.5Confident75.2Confident5 Ų563.9 Ų63.93%0.03133%0.332CS..G310 helixtrans-121.52.6-178.169.40000114.7L478 T482 S484 W584 D602 P603L478-T605 HydrophobicContact CD2-CG2 3.41Å; L478-T605 VanDerWaalsContact CD2-CG2 3.41Å; T482-T605 WeakPolarHBondContact O-CB 3.3Å; S484-T605 PolarHBondContact N-OG1 3.43Å; W584-T605 PolarHBondContact NE1-O 3.35Å; D602-T605 HydrophobicContact CB-CG2 4.18Å; D602-T605 PolarHBondContact O-N 3.32Å; D602-T605 PolarHBondContact O-OG1 3.13Å; D602-T605 WeakPolarHBondContact OD2-CG2 3.35Å; P603-T605 PolarHBondContact O-N 2.8Å
606L83.8Confident73.1Confident56 Ų5670 Ų7029%0.29336%0.363SS..SBendtrans-64.6140168.8-67.5166.9000109.4L483 L592 L601 P603 P608 W610L483-L606 HydrophobicContact CD1-CD2 3.83Å; L483-L606 HydrophobicContact CD1-CG 4.45Å; L592-L606 HydrophobicContact CD2-CD2 3.91Å; L601-L606 HydrophobicContact CD1-CD2 4.27Å; P603-L606 HydrophobicContact CB-CD1 4.49Å; L606-P608 WeakPolarHBondContact O-CD 3.43Å; L606-W610 HydrophobicContact CD2-CE3 4.44Å
607N80.7Confident70.7Confident15 Ų1574.3 Ų74.38%0.0838%0.381CS..  trans-65124.6168.9178.2-0.9000108.5W584 E609 W610W584-N607 HydrophobicContact CD2-CB 3.8Å; W584-N607 HydrophobicContact CE3-CB 4.12Å; W584-N607 HydrophobicContact CG-CB 4Å; N607-E609 PolarHBondContact ND2-OE2 2.84Å; N607-E609 PolarHBondContact O-N 3.26Å; N607-E609 VanDerWaalsContact O-N 3.09Å; N607-E609 WeakPolarHBondContact OD1-CG 3.48Å; N607-E609 PolarHBondContact OD1-N 3.41Å; N607-E609 VanDerWaalsContact OD1-N 3.09Å; N607-E609 PolarHBondContact OD1-OE2 3.38Å; N607-W610 HydrophobicContact CB-CD2 3.62Å; N607-W610 HydrophobicContact CB-CE3 3.75Å; N607-W610 HydrophobicContact CB-CG 4.15Å; N607-W610 HydrophobicContact CB-CH2 4.01Å; N607-W610 HydrophobicContact CB-CZ2 3.9Å; N607-W610 HydrophobicContact CB-CZ3 3.94Å; N607-W610 PolarHBondContact O-N 2.98Å
608P73.4Confident68.3Low90 Ų9072.8 Ų72.858%0.58439%0.387SS*.THydrogen-bonded Turntrans-51.9-31.6177.5-29.236.5000114.4L606 W610 N611L606-P608 WeakPolarHBondContact O-CD 3.43Å; P608-W610 VanDerWaalsContact C-N 3.29Å; P608-W610 PolarHBondContact O-N 2.99Å; P608-N611 VanDerWaalsContact O-CB 3.26Å; P608-N611 WeakPolarHBondContact O-CB 3.24Å; P608-N611 PolarHBondContact O-N 3.02Å
609E67.7Low65.8Low136 Ų13679.1 Ų79.164%0.63642%0.416SS*.Hα-helixtrans-62.5-33.3179.8-60.7171.4149.800112.8N607 N611 N612 A613N607-E609 PolarHBondContact ND2-OE2 2.84Å; N607-E609 PolarHBondContact O-N 3.26Å; N607-E609 VanDerWaalsContact O-N 3.09Å; N607-E609 WeakPolarHBondContact OD1-CG 3.48Å; N607-E609 PolarHBondContact OD1-N 3.41Å; N607-E609 VanDerWaalsContact OD1-N 3.09Å; N607-E609 PolarHBondContact OD1-OE2 3.38Å; E609-N611 PolarHBondContact O-N 3.03Å; E609-N612 PolarHBondContact O-N 2.82Å; E609-A613 PolarHBondContact O-N 3.4Å
610W71.1Confident63.1Low35 Ų3583.2 Ų83.213%0.13345%0.45CS..Hα-helixtrans-71.8-15.7177.2-56.3-25.9000112.9L483 W584 V587 V589 L592 L606 N607 P608L483-W610 HydrophobicContact CD2-CZ3 4.26Å; W584-W610 HydrophobicContact CB-CH2 4.12Å; W584-W610 HydrophobicContact CB-CZ2 4.11Å; W584-W610 AromaticContact CD1-CH2 3.67Å; W584-W610 HydrophobicContact CG-CH2 4.1Å; W584-W610 HydrophobicContact CG-CZ2 4.47Å; V587-W610 HydrophobicContact CB-CH2 3.54Å; V587-W610 HydrophobicContact CB-CZ2 3.8Å; V587-W610 HydrophobicContact CB-CZ3 4.46Å; V587-W610 HydrophobicContact CG1-CH2 3.5Å; V587-W610 VanDerWaalsContact CG1-CH2 3.5Å; V587-W610 HydrophobicContact CG1-CZ2 3.9Å; V587-W610 HydrophobicContact CG1-CZ3 3.97Å; V587-W610 HydrophobicContact CG2-CH2 4.07Å; V589-W610 HydrophobicContact CG2-CG 4.22Å; L592-W610 HydrophobicContact CD2-CE3 4.31Å; L606-W610 HydrophobicContact CD2-CE3 4.44Å; N607-W610 HydrophobicContact CB-CD2 3.62Å; N607-W610 HydrophobicContact CB-CE3 3.75Å; N607-W610 HydrophobicContact CB-CG 4.15Å; N607-W610 HydrophobicContact CB-CH2 4.01Å; N607-W610 HydrophobicContact CB-CZ2 3.9Å; N607-W610 HydrophobicContact CB-CZ3 3.94Å; N607-W610 PolarHBondContact O-N 2.98Å; P608-W610 VanDerWaalsContact C-N 3.29Å; P608-W610 PolarHBondContact O-N 2.99Å
611N57.1Low60.8Low110 Ų11084.2 Ų84.259%0.58847%0.469SS*.Hα-helixtrans-76.4-45176.9-143.241.2000110.4P608 E609 A613 K614 E615P608-N611 VanDerWaalsContact O-CB 3.26Å; P608-N611 WeakPolarHBondContact O-CB 3.24Å; P608-N611 PolarHBondContact O-N 3.02Å; E609-N611 PolarHBondContact O-N 3.03Å; N611-A613 PolarHBondContact O-N 3.27Å; N611-K614 PolarHBondContact O-N 2.8Å; N611-E615 PolarHBondContact O-N 3.22Å
612N48.8Very low58.5Low99 Ų9988 Ų8853%0.52949%0.492SS..Hα-helixtrans-58.1-36.3175.4-59.8-15.4000111.9E609 K614 E615 I616E609-N612 PolarHBondContact O-N 2.82Å; N612-K614 PolarHBondContact O-N 2.96Å; N612-E615 PolarHBondContact O-N 3.34Å; N612-I616 PolarHBondContact O-N 3.29Å
613A44.3Very low55.7Low53 Ų5395.7 Ų95.744%0.43853%0.534SS..Hα-helixtrans-63.6-21.717700000114.1E609 N611E609-A613 PolarHBondContact O-N 3.4Å; N611-A613 PolarHBondContact O-N 3.27Å
614K45.5Very low53Low139 Ų13995.5 Ų95.560%0.60455%0.548SS*.Hα-helixtrans-83.9-35.9173.1-66.5-170.5175-169.90112.1N611 N612 K617 G618N611-K614 PolarHBondContact O-N 2.8Å; N612-K614 PolarHBondContact O-N 2.96Å; K614-K617 PolarHBondContact O-N 2.85Å; K614-G618 PolarHBondContact O-N 3.19Å
615E37.9Very low50.3Low120 Ų12095.1 Ų95.156%0.56156%0.563SS**Hα-helixtrans-68.3-36.4-177.9-143.2170.2-167.900112.4N611 N612 K617 G618 Q619N611-E615 PolarHBondContact O-N 3.22Å; N612-E615 PolarHBondContact O-N 3.34Å; E615-K617 VanDerWaalsContact C-N 3.27Å; E615-K617 PolarHBondContact O-N 3.01Å; E615-G618 WeakPolarHBondContact O-CA 3.42Å; E615-G618 PolarHBondContact O-N 2.96Å; E615-Q619 PolarHBondContact O-N 3.3Å
616I45.1Very low47.5Very low127 Ų127102.8 Ų102.865%0.65160%0.601SS**Hα-helixtrans-61.3-33.6175.2-66169.1000112.1N612 G618N612-I616 PolarHBondContact O-N 3.29Å; I616-G618 VanDerWaalsContact C-N 3.32Å
617K38.8Very low44.8Very low191 Ų191106.5 Ų106.583%0.8362%0.621SS**Hα-helixtrans-75.9-16.6172.3-86.7-169.4173.2-175.40113.9K614 E615K614-K617 PolarHBondContact O-N 2.85Å; E615-K617 VanDerWaalsContact C-N 3.27Å; E615-K617 PolarHBondContact O-N 3.01Å
618G39.4Very low42.2Very low50 Ų50113 Ų11352%0.51565%0.654SS.*Hα-helixtrans-86-34.6175.100000113.7K614 E615 I616K614-G618 PolarHBondContact O-N 3.19Å; E615-G618 WeakPolarHBondContact O-CA 3.42Å; E615-G618 PolarHBondContact O-N 2.96Å; I616-G618 VanDerWaalsContact C-N 3.32Å
619Q33.4Very low40Very low135 Ų135115 Ų11563%0.63167%0.665SS**Hα-helixtrans-87.2-16-174.3-67.2179.80.500114.2E615 A621 V622E615-Q619 PolarHBondContact O-N 3.3Å; Q619-A621 PolarHBondContact O-N 3.34Å; Q619-A621 VanDerWaalsContact O-N 3.08Å; Q619-V622 PolarHBondContact O-N 3.08Å
620A34.1Very low38.8Very low94 Ų94113.9 Ų113.978%0.77767%0.669SS**THydrogen-bonded Turntrans-67.2-4.1176.300000115
621A41.7Very low36.5Very low89 Ų89118.8 Ų118.874%0.73670%0.698SS**THydrogen-bonded Turntrans-99.8-0-178.300000114.5Q619Q619-A621 PolarHBondContact O-N 3.34Å; Q619-A621 VanDerWaalsContact O-N 3.08Å
622V41.3Very low35Very low103 Ų103119.2 Ų119.262%0.62470%0.704SS**SBendtrans-133.488.1-174.2-174.20000111.4Q619Q619-V622 PolarHBondContact O-N 3.08Å
623N31.4Very low34Very low163 Ų163118.6 Ų118.687%0.87271%0.713SS**  trans153.6128.2134.6-80-43.5000112.2
624G29.1Very low33.1Very low84 Ų84122.3 Ų122.387%0.86673%0.73SS**  trans116.564.4149.100000119.4
625A25.9Very low32.2Very low103 Ų103121 Ų12185%0.85174%0.739SS**  trans-159.8114.9145.500000110.7
626M27.1Very low31.8Very low166 Ų166118.6 Ų118.682%0.81874%0.739SS**  trans-103137.4160.4-76163.549.400107.2
627D26.3Very low30.9Very low134 Ų134121 Ų12172%0.71775%0.747SS**  -176.6155.696.6-113-33.3000114.8
628I28Very low30.5Very low151 Ų151118.4 Ų118.477%0.77475%0.747SS**  trans67.2133.4161.1-61.5162.2000118.7
629V26.8Very low29.8Very low133 Ų133125.2 Ų125.281%0.80677%0.765SS**  trans-140.8133.1-177.5164.30000106.9
630P41.9Very low29.6Very low112 Ų112124.9 Ų124.973%0.72777%0.772SS**  -145.4173.1101.143.2-26.9000113.4
631D22Very low29.2Very low139 Ų139125.7 Ų125.774%0.74377%0.772SS**  cis-152.5158.713.7-155.315.2000116
632V26.1Very low28.5Very low118 Ų118128.6 Ų128.672%0.71577%0.774SS**  trans62.6151.7148.9148.10000123.3
633A27.7Very low27.6Very low86 Ų86133.7 Ų133.771%0.71179%0.788SS**  trans64.773.2169.400000117.2
634V26.3Very low27.3Very low131 Ų131132.2 Ų132.279%0.79479%0.789SS**  77.6124.754.4-178.40000115.5
635S26Very low27.1Very low113 Ų113131.9 Ų131.979%0.7979%0.785SS**  trans74.6138.2164.8-73.70000120.1
636A28.7Very low27.9Very low68 Ų68132.4 Ų132.456%0.56278%0.78SS**  cis-167.7165.9-15.300000111.9
637H27.8Very low27.8Very low179 Ų179131.2 Ų131.283%0.82978%0.777SS**  trans46.294.8149.969.8-13.3000120.1
638V30.2Very low28Very low136 Ų136131 Ų13182%0.82478%0.781SS**  trans-74.2136.5143.6171.80000108.6
639Q24.9Very low28Very low192 Ų192130.8 Ų130.890%0.89779%0.786SS**  trans-147.5117.7155.5-137.6173.717.200112.2
640V28.8Very low28.1Very low128 Ų128132.6 Ų132.678%0.77679%0.785SS**  trans-98137.2172.5176.30000108.5
641S24.4Very low27.4Very low111 Ų111134.1 Ų134.178%0.77678%0.783SS**  trans-144.3142.5169.8-166.70000110.8
642L28.1Very low27.8Very low150 Ų150137.4 Ų137.479%0.78579%0.785SS**  trans-86.4153.4-169.9-58.480.3000112.3
643K22.5Very low27.8Very low211 Ų211138.5 Ų138.592%0.91779%0.785SS**  trans-169.8157.2135.8-100.9143.7-169.2174.30112.1
644C24.5Very low27.8Very low132 Ų132142 Ų14289%0.89279%0.791SS**  trans-113.6134.3-178.8-630000112.4
645G25.2Very low27.9Very low76 Ų76140.9 Ų140.978%0.78479%0.789SS**  trans69.5177.5156.900000118.4
646P42.2Very low28Very low114 Ų114142.2 Ų142.274%0.7479%0.786SS**  cis-130176.6-4.142.7-27.7000115.4
647D26.2Very low27.9Very low142 Ų142150.1 Ų150.176%0.75980%0.802SS**  trans59.2114.9150.4-56.2-20.9000124.1
648T29.3Very low27.9Very low130 Ų130150.9 Ų150.980%0.79880%0.803SS**  59.3108126.4-49.80000121.6
649V28.3Very low27.8Very low145 Ų145150.1 Ų150.188%0.87980%0.798SS**  -144.7140.1128.8168.10000110
650H29.8Very low27.8Very low172 Ų172151 Ų15180%0.79680%0.8SS**  trans-90.3127.2173.1-134.2-93.3000110
651Q27Very low27.8Very low144 Ų144153.7 Ų153.767%0.67380%0.804SS**  165.9137.8121.2-91.5-166.751.400116.3
652R29.3Very low27.8Very low208 Ų208156.7 Ų156.779%0.78581%0.808SS**  trans75.9130.7138.4-77.9-175.8-174.6-159.7-0.7122.4
653I27.6Very low28.2Very low140 Ų140155.8 Ų155.872%0.71881%0.811SS**  trans93.5102.9142.7-69.7161.9000118.1
654L27.7Very low28.4Very low160 Ų160152 Ų15284%0.83881%0.806SS**  trans41.8115.6137.7-51.5175.6000119
655S27.8Very low28.5Very low108 Ų108152.3 Ų152.376%0.75580%0.803SS**  -160.8156.2102.6-140.90000114.8
656L28.5Very low29.5Very low140 Ų140153.9 Ų153.973%0.73380%0.8SS**  trans43.6106153-68.6159.6000120.2F658L656-F658 HydrophobicContact CD2-CD2 4.24Å; L656-F658 HydrophobicContact CD2-CE2 4.29Å
657R26.7Very low28.8Very low234 Ų234155.9 Ų155.988%0.88380%0.799SS**  trans-62.9146.5138.5-64.4172.3173.6167.7-4.2109
658F26.5Very low28.7Very low196 Ų196155.2 Ų155.286%0.8680%0.804SS**  trans-141.7150.7141-113.8-81.7000110.3L656L656-F658 HydrophobicContact CD2-CD2 4.24Å; L656-F658 HydrophobicContact CD2-CE2 4.29Å
659V28.9Very low28.6Very low119 Ų119157.2 Ų157.272%0.72180%0.804SS**  trans-112.9136.4-172.6176.30000109
660F25.1Very low29.8Very low212 Ų212155.4 Ų155.493%0.9380%0.795SS**  trans-78.6134.8170.6-100.1-92.3000110.8
661Q27.6Very low29.8Very low184 Ų184155.7 Ų155.786%0.8680%0.801SS**  trans-131.9153.7171-171.8158.1-20.700110.5
662M26.2Very low29.9Very low173 Ų173152.1 Ų152.185%0.85280%0.803SS**  trans-82.1161.7-170.5-73.2-173.6178.300113.5
663P36.3Very low30.3Very low131 Ų131148 Ų14885%0.85181%0.806SS**  trans-83.4171.3-162.533.6-37.7000115.8
664T26.2Very low31.9Very low132 Ų132147 Ų14781%0.8181%0.808SS**  trans-113.7157.5-165.8-43.30000112.9
665V27.1Very low33Very low139 Ų139145.1 Ų145.184%0.84281%0.806SS**  trans-125.3143.6168.2176.90000108.1
666P45.4Very low33.2Very low109 Ų109143.8 Ų143.871%0.70880%0.802SS**  trans-110.1149.3-138.439.5-36000118.9
667Q26.7Very low33.5Very low155 Ų155146.8 Ų146.872%0.72481%0.809SS**  trans49.1131.8136.7-74.1-72.517.400123.8
668C24.1Very low34.5Very low129 Ų129141.5 Ų141.587%0.87281%0.805SS**  -168.7102.3122.2-950000113
669E28.8Very low34.9Very low172 Ų172135.4 Ų135.480%0.80480%0.798SS**  trans26.4161.6141.3-71-153.7158.400125.9
670P52.4Low36.1Very low106 Ų106135.2 Ų135.269%0.68880%0.799SS**  trans-128.1-170.5-143.546.3-33.5000116.4
671I30.7Very low36.7Very low178 Ų178132.2 Ų132.291%0.91379%0.791SS**  trans169.3145.6137.8-88.8154000110.9
672G29.1Very low37.1Very low69 Ų69131.2 Ų131.271%0.71179%0.788SS**  trans147.7150.5166.400000115.8
673S36.8Very low37.5Very low123 Ų123130 Ų13086%0.8679%0.785SS**  trans-140162.2-173.7-660000113.6
674P60.9Low37.4Very low117 Ų117128.7 Ų128.776%0.7678%0.778SS**  trans-97.3-176.8-164.640.8-38.4000114.5
675P51Low38.8Very low122 Ų122128.8 Ų128.879%0.79278%0.781SS**  -158.2162.6101.540.9-21.9000120.3
676A31.7Very low39.2Very low80 Ų80126.5 Ų126.566%0.66178%0.777SS**  trans71.4111.313600000127
677F34.6Very low38.5Very low203 Ų203126.1 Ų126.189%0.8978%0.777SS**  59.2164.6126.2-70.5-67.9000123.9
678P49.5Very low38.8Very low122 Ų122126.1 Ų126.179%0.79278%0.781SS**  cis-128.4-171.8-11.828.3-4.2000116.3
679G33.2Very low40.3Very low69 Ų69125.2 Ų125.271%0.71177%0.774SS**  trans-91.3-140.6-178.900000116.3
680P53.8Low41.8Very low114 Ų114122.6 Ų122.674%0.7477%0.772SS**  cis-154-175.726.245.3-23.6000120.6
681I38.7Very low40.7Very low149 Ų149123.8 Ų123.876%0.76478%0.782SS**  trans73111143.8-80159.9000120.7
682M35.9Very low40.7Very low164 Ų164119 Ų11981%0.80878%0.777SS**  91.3166.180.3-78.8-6711100114.8
683L35Very low40.8Very low148 Ų148120.4 Ų120.478%0.77578%0.782SS**  cis-149.6-142.412.2-138.4178.9000113.4
684S34.2Very low41.3Very low102 Ų102119.2 Ų119.271%0.71377%0.771SS**  trans-169.2-174.4-174.7-730000110.4
685P55.3Low39.9Very low134 Ų134122.8 Ų122.887%0.8778%0.775SS**  cis-138.5-117.78.142.3-17.9000116.4
686A34.5Very low38.9Very low92 Ų92123.7 Ų123.776%0.7677%0.772SS**  trans-154-166.5-172.800000111.6
687S31.6Very low38.7Very low100 Ų100127.6 Ų127.670%0.69978%0.777SS**  cis-174.7-172.918.255.50000113
688L34.1Very low38.5Very low155 Ų155121 Ų12181%0.81276%0.759SS**  trans89.4-173.3157.4-68165.8000119.2
689P55.6Low37.4Very low111 Ų111123.7 Ų123.772%0.72176%0.761SS**  -126.8-126.1-107.833-6000118.6
690P60.1Low37.1Very low117 Ų117128.5 Ų128.576%0.7676%0.763SS**  -129-177.1-99.241-23.4000119
691S29.3Very low35.9Very low130 Ų130130.4 Ų130.491%0.90977%0.767SS**  trans102.7142.4150.9-156.70000120.1
692G29.2Very low35.4Very low78 Ų78126.7 Ų126.780%0.80476%0.759SS**  trans128.2135.6165.100000117.4
693A31Very low35Very low98 Ų98123.7 Ų123.781%0.8176%0.76SS**  trans-141.6175.517300000108.2
694P48.8Very low34.7Very low99 Ų99124.2 Ų124.264%0.64376%0.758SS**  cis-147.1-177.518.546.2-27.3000118.1
695F29.8Very low34.4Very low191 Ų191126.9 Ų126.984%0.83876%0.759SS**  trans55.5144.5157.2-67.1-58.3000119.7
696L30.8Very low33.2Very low141 Ų141127.1 Ų127.174%0.73876%0.758SS**  cis-156.517713.4-128.1177.3000110.9
697H27.7Very low32.8Very low162 Ų162126.5 Ų126.575%0.7576%0.76SS**  trans73.298.1168.3-87.3-84.4000121.3
698A30.3Very low32.5Very low64 Ų64125.3 Ų125.353%0.52976%0.764SS.*  30.4141.7108.400000120.8
699E27.5Very low32.4Very low179 Ų179127.5 Ų127.584%0.83677%0.767SS**  cis178167.4-11.6-111.5137.561.200106.9
700F27Very low31.1Very low171 Ų171128.8 Ų128.875%0.7577%0.767SS**  cis-159.9143.1-3.6171.3-89.1000108.9A702F700-A702 VanDerWaalsContact CZ-O 3.22Å; F700-A702 WeakPolarHBondContact CZ-O 3.36Å
701D26.8Very low29.5Very low153 Ų153133.4 Ų133.482%0.81877%0.771SS**  trans-160.2169.3155.7-154.2-11.9000110.8
702A29Very low29.5Very low71 Ų71131.7 Ų131.759%0.58776%0.759SS**  trans70.9168.1-178.700000114.8F700F700-A702 VanDerWaalsContact CZ-O 3.22Å; F700-A702 WeakPolarHBondContact CZ-O 3.36Å
703A28.4Very low29.3Very low101 Ų101138.5 Ų138.584%0.83576%0.762SS**  cis-150.3-179.514.800000114.5
704H27.4Very low29.2Very low160 Ų160140.6 Ų140.674%0.74176%0.758SS**  trans-101148.4177.6-150.680.9000110.9
705Q28.4Very low28.3Very low157 Ų157143.4 Ų143.473%0.73477%0.767SS**  trans49.9124.8156.4-81.2-179.433.600122
706V29.9Very low28.3Very low140 Ų140138.7 Ų138.785%0.84876%0.756SS**  157133.3111.3163.30000111.8
707G25.4Very low28.2Very low78 Ų78136.9 Ų136.980%0.80475%0.754SS**  trans110.5150.9145.900000117.8
708G26.6Very low28.5Very low75 Ų75136.8 Ų136.877%0.77376%0.758SS**  trans159.9-59.7147.500000120.9
709K31.4Very low28.5Very low202 Ų202136.6 Ų136.688%0.87876%0.763SS**  trans63.1154.7-173.4-62.4179174.8174.50118.6
710L28.2Very low29Very low138 Ų138135.4 Ų135.472%0.72376%0.762SS**  trans89.9139.8146.6-87.6160.9000120.9
711Y26.8Very low29.4Very low214 Ų214132 Ų13284%0.83976%0.759SS**  trans61.2159.6179.9-60-82.3000117.9
712S28.6Very low30Very low94 Ų94132.3 Ų132.366%0.65776%0.759SS**  178.5115.9-50.4165.40000109.9
713Y25.1Very low30.4Very low220 Ų220136.3 Ų136.386%0.86377%0.77SS**  trans70.7167.8157-128.2-108.3000118.2
714I28.5Very low30.6Very low142 Ų142139.4 Ų139.473%0.72877%0.771SS**  trans77110.5169.6-53.6-175.2000117.9
715L31.9Very low31.3Very low159 Ų159136.2 Ų136.283%0.83277%0.765SS**  17.6151.7128.2-79.763.5000119.8
716C28.8Very low31.9Very low92 Ų92134.9 Ų134.962%0.62276%0.762SS**  cis-172.1173.2-4.1171.90000109.1
717C29.5Very low32.5Very low103 Ų103134.3 Ų134.370%0.69675%0.754SS**  trans80.3144.2140.1-61.20000115.9
718L33.6Very low33.5Very low159 Ų159135.5 Ų135.583%0.83275%0.746SS**  cis-155.5161.99.4-121.5162.2000110.9
719G29.3Very low34.4Very low61 Ų61136.7 Ų136.763%0.62973%0.734SS**  trans115.283.9173.600000114.1
720L39.4Very low35.2Very low154 Ų154131.5 Ų131.581%0.80672%0.719SS**  69.1131.975.8-61.4171.8000114
721S35Very low36Very low99 Ų99130.3 Ų130.369%0.69271%0.712SS**  cis-173.9-176-13.9-117.70000111.2
722I39.5Very low36.5Very low160 Ų160127.6 Ų127.682%0.82170%0.701SS**  trans79.9131.5165.2-52.2-178.2000116.4
723L35.7Very low37.3Very low155 Ų155127.7 Ų127.781%0.81269%0.694SS**  cis-167.5126.5-26.1-160.985000110.5
724L33.3Very low38Very low165 Ų165120.8 Ų120.886%0.86468%0.677SS**  trans-152.8152.4160.1-83.8-172.9000110.6
725P41.5Very low38.5Very low93 Ų93117.5 Ų117.560%0.60467%0.666SS**  trans-79.1149.5-170.331.2-35.6000114.7
726L41.6Very low38.7Very low130 Ų130117.1 Ų117.168%0.68165%0.654SS**THydrogen-bonded Turntrans-78.1-22.9-167.2-78.9164.4000115.9T728 L729 V730L726-T728 VanDerWaalsContact C-N 3.27Å; L726-T728 PolarHBondContact O-N 3.35Å; L726-L729 PolarHBondContact O-N 3.26Å; L726-L729 VanDerWaalsContact O-N 3.13Å; L726-V730 PolarHBondContact O-N 3.33Å
727D43.7Very low39.2Very low128 Ų128115.7 Ų115.768%0.68465%0.646SS**Hα-helixtrans-59.7-35.7-173.4-62.7-64.6000113.2L729 I731D727-L729 VanDerWaalsContact C-N 3.35Å; D727-L729 PolarHBondContact O-N 2.76Å; D727-I731 WeakPolarHBondContact O-CG1 3.46Å; D727-I731 PolarHBondContact O-N 3.13Å
728T46.6Very low40Very low103 Ų103116 Ų11663%0.63264%0.644SS**Hα-helixtrans-67.2-34.2179.8-44.50000112.4L726 Y732L726-T728 VanDerWaalsContact C-N 3.27Å; L726-T728 PolarHBondContact O-N 3.35Å; T728-Y732 PolarHBondContact O-N 3.4Å
729L43.9Very low40.6Very low100 Ų100113.5 Ų113.552%0.52463%0.631SS.*Hα-helixtrans-73.5-38.7-176.8-165.274.5000111.7L726 D727 I731 Y732 I733L726-L729 PolarHBondContact O-N 3.26Å; L726-L729 VanDerWaalsContact O-N 3.13Å; D727-L729 VanDerWaalsContact C-N 3.35Å; D727-L729 PolarHBondContact O-N 2.76Å; L729-I731 VanDerWaalsContact C-N 3.33Å; L729-I731 PolarHBondContact O-N 3.39Å; L729-Y732 PolarHBondContact O-N 3.02Å; L729-I733 HydrophobicContact CD2-CD1 4.25Å; L729-I733 HydrophobicContact CG-CD1 3.92Å; L729-I733 WeakPolarHBondContact O-CG1 3.42Å; L729-I733 PolarHBondContact O-N 2.92Å
730V48Very low41.1Very low92 Ų92115.2 Ų115.256%0.55863%0.625SS**Hα-helixtrans-62.5-42177.9178.90000110.7L726 C734L726-V730 PolarHBondContact O-N 3.33Å; V730-C734 WeakPolarHBondContact O-CB 3.43Å; V730-C734 PolarHBondContact O-N 3.44Å; V730-C734 VanDerWaalsContact O-N 3.08Å; V730-C734 PolarHBondContact O-SG 3.28Å
731I46.7Very low41.3Very low113 Ų113114 Ų11458%0.57962%0.619SS**Hα-helixtrans-62.7-45.9175.6-64170.2000110.6D727 L729 C734 C735D727-I731 WeakPolarHBondContact O-CG1 3.46Å; D727-I731 PolarHBondContact O-N 3.13Å; L729-I731 VanDerWaalsContact C-N 3.33Å; L729-I731 PolarHBondContact O-N 3.39Å; I731-C734 PolarHBondContact O-N 2.88Å; I731-C735 WeakPolarHBondContact O-CB 3.38Å; I731-C735 PolarHBondContact O-N 3.37Å; I731-C735 PolarHBondContact O-SG 2.87Å; I731-C735 VanDerWaalsContact O-SG 3.37Å
732Y36.1Very low41.6Very low157 Ų157112.5 Ų112.562%0.61661%0.609SS**Hα-helixtrans-64.3-45.2-178.1-153.9-92.5000112.6T728 L729 C735 Y736T728-Y732 PolarHBondContact O-N 3.4Å; L729-Y732 PolarHBondContact O-N 3.02Å; Y732-C735 PolarHBondContact O-N 3.4Å; Y732-Y736 HydrophobicContact CE1-CD2 4.04Å; Y732-Y736 HydrophobicContact CE1-CE2 4.46Å; Y732-Y736 PolarHBondContact O-N 3.32Å
733I46.1Very low41.8Very low96 Ų96108.9 Ų108.949%0.49259%0.594SS.*Hα-helixtrans-66.2-39.2179-67172.5000111.4L729 S737L729-I733 HydrophobicContact CD2-CD1 4.25Å; L729-I733 HydrophobicContact CG-CD1 3.92Å; L729-I733 WeakPolarHBondContact O-CG1 3.42Å; L729-I733 PolarHBondContact O-N 2.92Å; I733-S737 WeakPolarHBondContact O-CB 3.29Å; I733-S737 PolarHBondContact O-N 3.27Å; I733-S737 VanDerWaalsContact O-N 3.13Å; I733-S737 PolarHBondContact O-OG 3.01Å
734C39.7Very low41.8Very low75 Ų75108.9 Ų108.951%0.50759%0.588SS.*Hα-helixtrans-62.4-45173.2-70.20000111.9V730 I731 V738V730-C734 WeakPolarHBondContact O-CB 3.43Å; V730-C734 PolarHBondContact O-N 3.44Å; V730-C734 VanDerWaalsContact O-N 3.08Å; V730-C734 PolarHBondContact O-SG 3.28Å; I731-C734 PolarHBondContact O-N 2.88Å; C734-V738 WeakPolarHBondContact O-CG2 3.17Å; C734-V738 PolarHBondContact O-N 3.33Å
735C38.4Very low42.4Very low74 Ų74106 Ų10650%0.558%0.577SS.*Hα-helixtrans-66.7-36.9-179.5-74.90000113.3I731 Y732 N739I731-C735 WeakPolarHBondContact O-CB 3.38Å; I731-C735 PolarHBondContact O-N 3.37Å; I731-C735 PolarHBondContact O-SG 2.87Å; I731-C735 VanDerWaalsContact O-SG 3.37Å; Y732-C735 PolarHBondContact O-N 3.4Å; C735-N739 PolarHBondContact O-ND2 3.17Å
736Y35.9Very low42.4Very low150 Ų150107.1 Ų107.159%0.58858%0.577SS**Hα-helixtrans-72.6-40.2178-130.4-88000112.2Y732 V738 N739 L740Y732-Y736 HydrophobicContact CE1-CD2 4.04Å; Y732-Y736 HydrophobicContact CE1-CE2 4.46Å; Y732-Y736 PolarHBondContact O-N 3.32Å; Y736-V738 VanDerWaalsContact C-N 3.35Å; Y736-V738 PolarHBondContact O-N 3.1Å; Y736-N739 PolarHBondContact O-N 3.4Å; Y736-L740 PolarHBondContact O-N 3.44Å
737S40.5Very low42.1Very low63 Ų63104.8 Ų104.844%0.44157%0.572SS.*Hα-helixtrans-60.1-41.1-178.3-59.90000112.8I733 L741I733-S737 WeakPolarHBondContact O-CB 3.29Å; I733-S737 PolarHBondContact O-N 3.27Å; I733-S737 VanDerWaalsContact O-N 3.13Å; I733-S737 PolarHBondContact O-OG 3.01Å; S737-L741 PolarHBondContact O-N 3.47Å
738V46.6Very low41.7Very low108 Ų108103 Ų10366%0.65557%0.574SS**Hα-helixtrans-72.4-32.4-179.7178.30000112.1C734 Y736 S742C734-V738 WeakPolarHBondContact O-CG2 3.17Å; C734-V738 PolarHBondContact O-N 3.33Å; Y736-V738 VanDerWaalsContact C-N 3.35Å; Y736-V738 PolarHBondContact O-N 3.1Å; V738-S742 PolarHBondContact O-N 3.26Å
739N45.5Very low41.1Very low108 Ų108108 Ų10858%0.57858%0.583SS**Hα-helixtrans-79.6-39.6-179.3-76-69.6000112.8C735 Y736 L741 S742 T743C735-N739 PolarHBondContact O-ND2 3.17Å; Y736-N739 PolarHBondContact O-N 3.4Å; N739-L741 PolarHBondContact O-N 2.83Å; N739-S742 WeakPolarHBondContact O-CA 3.37Å; N739-S742 WeakPolarHBondContact O-CB 3.48Å; N739-S742 PolarHBondContact O-N 3.5Å; N739-T743 PolarHBondContact O-N 2.86Å; N739-T743 VanDerWaalsContact O-N 3.16Å
740L39.8Very low40.7Very low96 Ų96109.4 Ų109.450%0.50359%0.59SS.*Hα-helixtrans-66.7-36.4-179.8-162.769.2000112.4Y736 S742 T743 F744Y736-L740 PolarHBondContact O-N 3.44Å; L740-S742 VanDerWaalsContact C-N 3.27Å; L740-S742 PolarHBondContact O-N 3.32Å; L740-T743 PolarHBondContact O-N 2.61Å; L740-T743 PolarHBondContact O-OG1 3.21Å; L740-F744 PolarHBondContact O-N 3.16Å
741L43.1Very low39.9Very low128 Ų128111.8 Ų111.867%0.6760%0.6SS**Hα-helixtrans-65.4-27.1169.9-93151.1000113S737 N739 V745S737-L741 PolarHBondContact O-N 3.47Å; N739-L741 PolarHBondContact O-N 2.83Å; L741-V745 WeakPolarHBondContact O-CG2 3.25Å
742S41.4Very low39.1Very low68 Ų68113.4 Ų113.448%0.47661%0.609SS.*Hα-helixtrans-78.4-29.2176.7-166.80000113.5V738 N739 L740V738-S742 PolarHBondContact O-N 3.26Å; N739-S742 WeakPolarHBondContact O-CA 3.37Å; N739-S742 WeakPolarHBondContact O-CB 3.48Å; N739-S742 PolarHBondContact O-N 3.5Å; L740-S742 VanDerWaalsContact C-N 3.27Å; L740-S742 PolarHBondContact O-N 3.32Å
743T44.2Very low38.7Very low84 Ų84116.5 Ų116.552%0.51562%0.621SS.*Hα-helixtrans-84.8-39179.649.80000112.7N739 L740 V745 L746 S747N739-T743 PolarHBondContact O-N 2.86Å; N739-T743 VanDerWaalsContact O-N 3.16Å; L740-T743 PolarHBondContact O-N 2.61Å; L740-T743 PolarHBondContact O-OG1 3.21Å; T743-V745 VanDerWaalsContact C-N 3.31Å; T743-V745 PolarHBondContact O-N 3.18Å; T743-L746 PolarHBondContact O-N 2.98Å; T743-L746 VanDerWaalsContact O-N 3.11Å; T743-S747 PolarHBondContact O-N 3.26Å; T743-S747 VanDerWaalsContact O-N 3.09Å
744F35.5Very low37.9Very low155 Ų155118.7 Ų118.768%0.6864%0.64SS**Hα-helixtrans-62.8-35.3177.7-112.5-89.1000113.4L740 L746 A748L740-F744 PolarHBondContact O-N 3.16Å; F744-L746 VanDerWaalsContact C-N 3.31Å; F744-L746 PolarHBondContact O-N 3.14Å; F744-A748 PolarHBondContact O-N 3.38Å
745V46.1Very low37.3Very low105 Ų105117.9 Ų117.964%0.63664%0.644SS**Hα-helixtrans-71.7-24.5176.1175.20000112.4L741 T743L741-V745 WeakPolarHBondContact O-CG2 3.25Å; T743-V745 VanDerWaalsContact C-N 3.31Å; T743-V745 PolarHBondContact O-N 3.18Å
746L41.1Very low36.8Very low117 Ų117122.2 Ų122.261%0.61366%0.662SS**Hα-helixtrans-80.7-37175.4-92.2163.3000112.8T743 F744T743-L746 PolarHBondContact O-N 2.98Å; T743-L746 VanDerWaalsContact O-N 3.11Å; F744-L746 VanDerWaalsContact C-N 3.31Å; F744-L746 PolarHBondContact O-N 3.14Å
747S34.9Very low36.4Very low81 Ų81125 Ų12557%0.56668%0.678SS**Hα-helixtrans-64.5-43.8178.1-168.40000112.1T743 Y749 I750T743-S747 PolarHBondContact O-N 3.26Å; T743-S747 VanDerWaalsContact O-N 3.09Å; S747-Y749 PolarHBondContact O-N 3.11Å; S747-I750 PolarHBondContact O-N 2.98Å
748A36.1Very low36Very low89 Ų89131.1 Ų131.174%0.73670%0.699SS**THydrogen-bonded Turntrans-72.35.8-175.200000115.8F744F744-A748 PolarHBondContact O-N 3.38Å
749Y33.7Very low35.2Very low209 Ų209130.5 Ų130.582%0.8271%0.705SS**THydrogen-bonded Turntrans-111-3.1-179.4-163.7-103.7000113.9S747S747-Y749 PolarHBondContact O-N 3.11Å
750I36.1Very low35.1Very low130 Ų130131.2 Ų131.267%0.66772%0.716SS**THydrogen-bonded Turntrans-97-34.2-172.5-66.4178.4000113S747 N752S747-I750 PolarHBondContact O-N 2.98Å; I750-N752 PolarHBondContact O-N 2.84Å
751D30.9Very low34.5Very low141 Ų141132.7 Ų132.775%0.75473%0.729SS**SBendtrans-7936-170.8-69.3-27.7000115.8
752N29.9Very low33.7Very low147 Ų147134.8 Ų134.879%0.78674%0.735SS**SBendtrans-161.374.6164.9-120.1-96.8000113.5I750I750-N752 PolarHBondContact O-N 2.84Å
753Y27.6Very low33.1Very low222 Ų222137.3 Ų137.387%0.87175%0.753SS**  trans-167.979.5133.9-105.6-65.3000110.1
754T29.3Very low32.4Very low143 Ų143139.5 Ų139.588%0.87777%0.766SS**  trans-118125.9168.437.40000109.1
755G26.7Very low32.1Very low58 Ų58140.8 Ų140.860%0.59877%0.774SS**  trans85.8135.9-178.200000114.2
756N27.4Very low31.2Very low164 Ų164139 Ų13988%0.87778%0.778SS**  cis-141154-6-100-3.1000110.7
757F28.7Very low31.8Very low209 Ų209139.4 Ų139.492%0.91779%0.787SS**  trans-74.2152.6162.8-99.9-110.6000110.4
758E32.3Very low31.6Very low191 Ų191141.7 Ų141.789%0.89380%0.797SS**  trans-77144.7158.2-67.9176.1118.800110
759A28.4Very low31.3Very low95 Ų95141.3 Ų141.379%0.78580%0.802SS**  trans-144.7143.9163.800000108.8
760P44.7Very low31.2Very low124 Ų124134.7 Ų134.781%0.80580%0.798SS**  trans-109.2143.3-159.738.1-30.8000114.4
761V26.8Very low31Very low126 Ų126138.4 Ų138.476%0.76481%0.809SS**  trans-149.5139.9164.2-141.40000112.8
762E25.6Very low30.8Very low173 Ų173139 Ų13981%0.80881%0.813SS**  trans60.5154.5154.1-84.1163.1130.700122.3
763S28.8Very low31.9Very low120 Ų120137.2 Ų137.284%0.83981%0.809SS**  trans-156.6108.3-175.2-67.90000111.6
764T30.2Very low32Very low130 Ų130131.8 Ų131.880%0.79880%0.803SS**  trans-155.8142.3172.13.40000105.2
765E28.1Very low31.9Very low183 Ų183130 Ų13086%0.85580%0.797SS**  cis-139.2172.915.8-55.1176133.100111.1
766G27.1Very low32Very low68 Ų68131.4 Ų131.470%0.70180%0.803SS**  trans-106.6-160.7159.500000110.6
767P55.1Low32.2Very low125 Ų125130.3 Ų130.381%0.81280%0.797SS**  cis-113.9-165.9-1.430.7-8.6000110.7
768T30.9Very low32.3Very low128 Ų128126.5 Ų126.579%0.78579%0.786SS**  cis-149.2146.526.849.90000108.7
769G28.9Very low32.2Very low81 Ų81125 Ų12584%0.83578%0.779SS**  90.612455.700000110.8
770G31.4Very low32.3Very low71 Ų71128.5 Ų128.573%0.73278%0.784SS**  cis157.3149.4-5.600000111.6
771K31.6Very low31.4Very low208 Ų208126.3 Ų126.390%0.90478%0.784SS**  trans175.2118.9157.2-103.3162.9-174.81790114.2
772D28.5Very low31.7Very low154 Ų154125.6 Ų125.682%0.82478%0.784SS**  trans-86.1-167.2159.7-57-74.7000109.3
773P51.7Low32.9Very low108 Ų108123.5 Ų123.570%0.70179%0.786SS**  cis-146.8-179.55.444.7-25.6000119.2
774S29.7Very low33Very low109 Ų109122.5 Ų122.576%0.76279%0.785SS**  trans75.1162.3150.382.40000118
775S26.7Very low32.9Very low106 Ų106120 Ų12074%0.74178%0.784SS**  cis-156.81612.3-147.90000114.2
776A30.7Very low33.1Very low87 Ų87120.2 Ų120.272%0.71979%0.785SS**  trans53141.7144.200000124.8
777D29.7Very low33.2Very low141 Ų141122.2 Ų122.275%0.75478%0.783SS**  trans-48151.5169.4-45.8-87.3000118.2
778N32.1Very low31.9Very low129 Ų129123.7 Ų123.769%0.6978%0.781SS**  178.5140.599.4-100.9-75000117.4
779Q30.4Very low31.8Very low159 Ų159124.8 Ų124.874%0.74378%0.78SS**  trans32127.2135.5-72.9-174.986.800124.6
780L28.9Very low31.8Very low169 Ų169128.5 Ų128.589%0.88578%0.779SS**  65.2130.7115.7-156.678.6000121.3
781G26.1Very low32.3Very low78 Ų78130.8 Ų130.880%0.80478%0.781SS**  trans152.2119.6156.500000115.8
782S33.6Very low32.6Very low110 Ų110127.9 Ų127.977%0.76978%0.775SS**  trans-107.3167169.1-169.20000110
783P50.4Low33.7Very low130 Ų130125.9 Ų125.984%0.84477%0.771SS**  -146.3-175.399.838.8-22.6000114.5
784A30.5Very low32.6Very low99 Ų99125 Ų12582%0.81877%0.773SS**  trans-145.7159.1-175.600000114
785G29.7Very low32.6Very low76 Ų76124.6 Ų124.678%0.78478%0.776SS**  trans86.4167.2162.900000117.3
786Q31.4Very low33Very low189 Ų189128.1 Ų128.188%0.88378%0.783SS**  cis-169.8-172.8-20.2-139.5-175.217.500110.7
787V29.3Very low33.1Very low109 Ų109132.3 Ų132.366%0.66179%0.787SS**  trans86.7148.2158.6-153.40000119.4
788M28.4Very low33.5Very low156 Ų156129 Ų12977%0.76879%0.787SS**  trans88.6130.8167.1-46.2-69.1-84.300117.3
789M28.1Very low33.9Very low152 Ų152128.7 Ų128.775%0.74979%0.792SS**  cis-158.6171.7-19.7-109.1-46162.200110
790L28.7Very low34.5Very low158 Ų158126.8 Ų126.883%0.82779%0.793SS**  trans-73.2178.5161.9-111.579.3000111
791P43.4Very low35Very low119 Ų119130.2 Ų130.277%0.77380%0.795SS**  cis-134.3-176.513.339.9-20.1000116.6
792N37.4Very low35.4Very low147 Ų147132.7 Ų132.779%0.78680%0.796SS**  trans-115151.2165.7-159-1.2000107.1
793P51.1Low35.6Very low113 Ų113130.5 Ų130.573%0.73479%0.791SS**  -159.7177.693.442.6-23000118.2
794A27.8Very low35.4Very low90 Ų90132.4 Ų132.474%0.74479%0.791SS**  trans81.2102.8143.200000122.2
795A31.3Very low35.5Very low99 Ų99136.8 Ų136.882%0.81879%0.794SS**  59118.3127.400000122.1
796M34.7Very low35.9Very low180 Ų180136.3 Ų136.389%0.88779%0.789SS**  trans-143.9162145.8-107.8-61.916900111.2
797H31.3Very low36.5Very low175 Ų175132.8 Ų132.881%0.8178%0.782SS**PPolyproline II helixtrans-77.5149-167.3-67.7-90.9000115
798G38.3Very low37Very low73 Ų73133.2 Ų133.275%0.75379%0.787SS**PPolyproline II helixtrans-89.8128.3166.500000112.5
799P41Very low37.7Very low122 Ų122133.5 Ų133.579%0.79279%0.79SS**PPolyproline II helixtrans-76.8166.3170.531.6-33.5000112.4
800P42.4Very low38.2Very low119 Ų119131.5 Ų131.577%0.77379%0.788SS**PPolyproline II helixtrans-90.3166.9-155.635.1-37.9000115.9P802P800-P802 WeakPolarHBondContact O-CD 3.44Å
801R39.3Very low38.8Very low241 Ų241126.5 Ų126.591%0.90978%0.776SS**PPolyproline II helixtrans-65.5132.3162.8-72.8-178.2170.3-150.7-0.8111.4
802P36Very low38.5Very low129 Ų129129.7 Ų129.784%0.83878%0.782SS**PPolyproline II helixtrans-72.3130.3145.7-11.729000109.1P800P800-P802 WeakPolarHBondContact O-CD 3.44Å
803G36.5Very low38.8Very low64 Ų64130.9 Ų130.966%0.6678%0.783SS**PPolyproline II helixtrans-102.7145.6175.500000112.4
804M46.2Very low38.2Very low170 Ų170128.6 Ų128.684%0.83778%0.779SS**  trans48.688.5151.8-63.1-9963.600118.4
805H33Very low39.1Very low192 Ų192129.9 Ų129.989%0.88978%0.78SS**  trans-144110.7134.9-86-65.8000109.9
806G38.3Very low39.4Very low65 Ų65130.8 Ų130.867%0.6778%0.778SS**PPolyproline II helixtrans-86.5123.8165.400000109.1
807P43.8Very low39.5Very low116 Ų116128.7 Ų128.775%0.75378%0.775SS**PPolyproline II helixtrans-61.2150.4165.727.7-33.1000109.4
808P39.6Very low39.9Very low117 Ų117125.7 Ų125.776%0.7677%0.772SS**PPolyproline II helixtrans-66.4148.6-170.628.1-35.8000111.6P810P808-P810 WeakPolarHBondContact O-CD 3.21Å
809I44.6Very low40Very low162 Ų162125.6 Ų125.683%0.83177%0.771SS**  trans-71.9113.5162.4-61173.3000107.1G811I809-G811 PolarHBondContact O-N 3.03Å
810P38.6Very low39.9Very low110 Ų110128 Ų12871%0.71477%0.773SS**  trans-73.3117.2167-626000106.4P808 M812P808-P810 WeakPolarHBondContact O-CD 3.21Å; P810-M812 PolarHBondContact O-N 2.85Å
811G40.8Very low39.5Very low54 Ų54131.1 Ų131.156%0.55778%0.778SS**  trans-62.7124.1176.200000109.7I809 H813I809-G811 PolarHBondContact O-N 3.03Å; G811-H813 PolarHBondContact O-N 3.48Å
812M37.3Very low39.3Very low185 Ų185123 Ų12391%0.91177%0.769SS**  trans-72.271.9170.5-67.7-141.978.100110.6P810 G814P810-M812 PolarHBondContact O-N 2.85Å; M812-G814 PolarHBondContact O-N 2.76Å
813H42.2Very low39.9Very low173 Ų173122.7 Ų122.780%0.80177%0.767SS**PPolyproline II helixtrans-58.4125.7148.2-71.2-92.9000107G811G811-H813 PolarHBondContact O-N 3.48Å
814G39.7Very low40.1Very low64 Ų64125.5 Ų125.566%0.6677%0.773SS**PPolyproline II helixtrans-61.8139.7175.100000110.3M812M812-G814 PolarHBondContact O-N 2.76Å
815P46.5Very low39.5Very low117 Ų117129.4 Ų129.476%0.7678%0.779SS**PPolyproline II helixtrans-59.7149.3169.827-33.8000110
816P38.3Very low39.7Very low119 Ų119128.5 Ų128.577%0.77378%0.777SS**PPolyproline II helixtrans-69.3140.3-171.428.8-35.6000111.9P818P816-P818 WeakPolarHBondContact O-CD 3.22Å
817T36.6Very low39.6Very low136 Ų136128.7 Ų128.783%0.83478%0.779SS**PPolyproline II helixtrans-66.3117.2174.4-41.70000110.8G819T817-G819 PolarHBondContact O-N 3.33Å
818P39Very low39.5Very low112 Ų112131.8 Ų131.873%0.72779%0.786SS**  trans-76.5114.4168.6-8.727.6000108.3P816 M820P816-P818 WeakPolarHBondContact O-CD 3.22Å; P818-M820 PolarHBondContact O-N 3.12Å; P818-M820 VanDerWaalsContact O-N 3.12Å
819G40.3Very low39.2Very low71 Ų71135 Ų13573%0.73279%0.79SS**  trans-72.9100.617500000111.1T817T817-G819 PolarHBondContact O-N 3.33Å
820M38.2Very low39Very low172 Ų172130.5 Ų130.585%0.84778%0.784SS**  trans-110.6138.8168.3-83.6-75.1104.700110.5P818P818-M820 PolarHBondContact O-N 3.12Å; P818-M820 VanDerWaalsContact O-N 3.12Å
821Q35.3Very low39.5Very low185 Ų185131.3 Ų131.386%0.86479%0.789SS**PPolyproline II helixtrans-86133.3-167.3-66.9158.9-1500111.1
822G34.4Very low39.7Very low71 Ų71134.6 Ų134.673%0.73280%0.801SS**PPolyproline II helixtrans-75.3129166.800000110.4
823P48.2Very low39.6Very low122 Ų122137.7 Ų137.779%0.79280%0.803SS**PPolyproline II helixtrans-68.4154.1175.828.6-34.4000111.6
824P40.6Very low39.5Very low122 Ų122135.8 Ų135.879%0.79281%0.806SS**PPolyproline II helixtrans-72.6144.2-17329.2-35.4000113M826P824-M826 PolarHBondContact O-N 3.18Å
825R33.4Very low39.3Very low253 Ų253136.3 Ų136.396%0.95581%0.811SS**  trans-66.2108.6164.5-100.2-177.1159.2-158.5-4.9109.7
826M37.6Very low39.1Very low172 Ų172139.5 Ų139.585%0.84782%0.818SS**PPolyproline II helixtrans-71133.3153.8-76.1-169.417500109.3P824P824-M826 PolarHBondContact O-N 3.18Å
827G36.8Very low39.4Very low70 Ų70139 Ų13972%0.72282%0.815SS**PPolyproline II helixtrans-84.6124.6165.400000109.8
828M40.8Very low39.5Very low181 Ų181138.4 Ų138.489%0.89281%0.813SS**PPolyproline II helixtrans-86.3138170.1-92.4-68.7161.800110.7
829Q34.7Very low39.5Very low183 Ų183141.2 Ų141.286%0.85582%0.821SS**PPolyproline II helixtrans-91.9140.8-172-60.6172.57.600110.8
830G39.4Very low39.6Very low68 Ų68146.9 Ų146.970%0.70183%0.828SS**PPolyproline II helixtrans-90.9144.5165.900000111.1
831P48.9Very low39.8Very low127 Ų127144.4 Ų144.483%0.82583%0.825SS**PPolyproline II helixtrans-72.4156.6-179.130-35.4000112.9
832P45.4Very low40.2Very low124 Ų124141.8 Ų141.881%0.80582%0.824SS**PPolyproline II helixtrans-86.5157.9-16934.5-37.1000114.6
833R34.8Very low40.1Very low249 Ų249147 Ų14794%0.9484%0.835SS**  trans-133.4145.3149.5-84.2-170.7171.1-121.2-1.1110.4
834P40.4Very low39.4Very low134 Ų134144.3 Ų144.387%0.8783%0.828SS**  trans-105.3153.9-168.813.58.6000113.4
835G35.3Very low39.1Very low74 Ų74147.4 Ų147.476%0.76384%0.835SS**  trans170.567.6172.600000119.5
836M42.3Very low39.4Very low185 Ų185141.3 Ų141.391%0.91183%0.828SS**  trans65.8165.8156.2-75.8-62.7165.300118.2
837P44.3Very low39.2Very low109 Ų109140.9 Ų140.971%0.70883%0.829SS**  trans-108.2157.6-135.340-37.3000116.6
838P39.9Very low39.8Very low122 Ų122141.8 Ų141.879%0.79282%0.822SS**PPolyproline II helixtrans-89.5148.417135.7-33.7000113.4
839L39.3Very low39.4Very low171 Ų171141.6 Ų141.690%0.89582%0.819SS**PPolyproline II helixtrans-85.4146.7166.7-68.7166.7000110.7
840Q41.9Very low39.5Very low190 Ų190141 Ų14189%0.88882%0.818SS**PPolyproline II helixtrans-82.3142.5179.2-64-179.30.500112.7
841P42.8Very low40.4Very low120 Ų120142.5 Ų142.578%0.77982%0.815SS**  trans-118.6168.6131.2-627000113.4
842P43.2Very low40.5Very low130 Ų130141.6 Ų141.684%0.84481%0.81SS**  trans-93.9178.2-157.236.6-37.8000118.1
843L32.6Very low40Very low182 Ų182145.2 Ų145.295%0.95381%0.813SS**  trans-82.1168.3-166.8-59.4159.5000115.1
844G32.3Very low40.7Very low64 Ų64139.2 Ų139.266%0.6681%0.806SS**  trans174.74.7159.800000125.5
845M36Very low40.4Very low188 Ų188136.1 Ų136.193%0.92680%0.799SS**  trans-150.7126.9178.2-84-71.4105.700113.9
846P39.5Very low41Very low125 Ų125138.7 Ų138.781%0.81280%0.802SS**  trans-106.6153.7172.437.3-30.5000114.5
847N33.4Very low41.6Very low162 Ų162135.9 Ų135.987%0.86680%0.798SS**  trans-113.2160.5179.2-148.631.1000110.4
848P47.8Very low41.1Very low89 Ų89138 Ų13858%0.57880%0.803SS**  trans-94.6-176.9-164.336.6-35.2000116.5
849H33.4Very low40.9Very low177 Ų177140.7 Ų140.782%0.81981%0.807SS**  trans91.4135.5175.8-57-75000116.1
850M36.1Very low40.7Very low171 Ų171139.3 Ų139.384%0.84280%0.796SS**  cis-154.2-139.3-7.2-154.3-168.4172.600114
851P58Low40.2Very low99 Ų99140.9 Ų140.964%0.64379%0.794SS**  trans-120.9-174.3-140.345.8-27.7000117.3
852P52.5Low39.6Very low109 Ų109143.9 Ų143.971%0.70880%0.799SS**  -156146124.933.3-12.7000120.4
853F35.1Very low39.7Very low200 Ų200142.9 Ų142.988%0.87779%0.793SS**  trans45.8170.4139.1-62-58.2000125.2
854P49.5Very low39.6Very low122 Ų122140.2 Ų140.279%0.79278%0.784SS**  cis-131.2-177-45.137.7-19.9000115.3
855G34.3Very low40.1Very low70 Ų70145.4 Ų145.472%0.72279%0.791SS**  trans-103.6-152.2178.500000115.1
856P46.3Very low40Very low128 Ų128145.2 Ų145.283%0.83179%0.791SS**  cis-125.3-136.110.136.2-12000111.6
857P55.7Low39.9Very low125 Ų125147.3 Ų147.381%0.81279%0.791SS**  cis-137.8-162.7-12.437.3-13.4000118.5
858N34.5Very low40.8Very low153 Ų153145.6 Ų145.682%0.81879%0.789SS**  trans-62.7146.5-173.4-101.4-38.3000121.7
859M34.1Very low40.1Very low179 Ų179145.1 Ų145.188%0.88280%0.801SS**  trans-161.7-165.2130.8-106.8-168.188.800114.5
860H35.5Very low39.9Very low142 Ų142140.3 Ų140.366%0.65780%0.799SS**  -154.2152.2-126.4-159.375.3000119.4
861R32.1Very low40.3Very low224 Ų224138.8 Ų138.885%0.84580%0.801SS**  trans64.5165164.4-86.5176.2-169.1-144.10.1121.7
862M30.1Very low39.1Very low183 Ų183141.5 Ų141.590%0.90181%0.807SS**  trans-109.7-174.3175.8-57.4-172.3178.100109.9
863P44.2Very low38Very low109 Ų109144.4 Ų144.471%0.70881%0.809SS**  cis-146.5-176.7941.6-18.6000119.5
864T31.2Very low38.3Very low126 Ų126140.7 Ų140.777%0.77381%0.805SS**  trans56.4129.7150.541.70000126.1
865Q42.7Very low38.5Very low172 Ų172139.5 Ų139.580%0.80480%0.797SS**  trans22.3133.3145.2-62.9-173.90.700124.4
866M33.9Very low38.7Very low185 Ų185143.4 Ų143.491%0.91180%0.802SS**  trans-153.4132.2133-63.3-161.5179.400107.3
867M38.5Very low37.9Very low168 Ų168148.5 Ų148.583%0.82881%0.805SS**  68.9151.168.6-70.8-62.6177.300115.1
868P51.3Low36.9Very low127 Ų127151.9 Ų151.983%0.82581%0.807SS**  cis-137.1-177.613.643.8-26.6000117.5
869G33.7Very low36.7Very low79 Ų79156.4 Ų156.481%0.81481%0.812SS**  trans142.5124.6156.600000117.8
870G28Very low36.6Very low76 Ų76156 Ų15678%0.78481%0.81SS**  trans-115.8-161173.700000113.2
871P45.7Very low37.3Very low138 Ų138153.9 Ų153.990%0.89681%0.809SS**  cis-121.6-149.813.742.4-27.1000114.8
872M32.9Very low37.5Very low156 Ų156150.1 Ų150.177%0.76880%0.803SS**  trans-123.1158.1-154.5-51.3-167.9-64.400118.6
873F29.2Very low38.1Very low171 Ų171147.1 Ų147.175%0.7580%0.797SS**  trans68.9160.5149.3-75.7-48000119.6
874P41.8Very low37.7Very low121 Ų121150.2 Ų150.279%0.78680%0.8SS**  cis-122.2174.214.842.8-30000117.3
875P52.4Low38.6Very low97 Ų97149.9 Ų149.963%0.6380%0.8SS**  trans-101.2174.9175.940.2-34.7000114.8
876D39.1Very low39.3Very low153 Ų153146.9 Ų146.982%0.81880%0.795SS**  trans50.2121.8162.3-80.5-43000121.2
877R29.6Very low39.5Very low235 Ų235150.2 Ų150.289%0.88780%0.798SS**  trans-165.9127.8137.8-110.3161.2-157.7-148.33.2115.6
878F34.2Very low39.1Very low195 Ų195145.4 Ų145.486%0.85579%0.791SS**  trans2.3128.8144.1-65.5-103.1000119.2
879R31.3Very low39.1Very low248 Ų248145.4 Ų145.494%0.93679%0.791SS**  -167.7121.5112.1-106179-169.8-155.83.3115.1
880M31.4Very low39.8Very low170 Ų170146 Ų14684%0.83778%0.781SS**  trans-84.1176147.9-91.1-81.6-175.800108.9
881P49.9Very low40.1Very low98 Ų98151.8 Ų151.864%0.63679%0.785SS**  cis-138.1-166.2-2036.2-15.9000114.2
882M35.8Very low39.7Very low145 Ų145153 Ų15371%0.71478%0.778SS**  trans74.9159.2152.2-72-55.4-170.500119.8F884M882-F884 HydrophobicContact CE-CD2 4.33Å; M882-F884 HydrophobicContact SD-CD2 3.78Å; M882-F884 HydrophobicContact SD-CE2 4.29Å
883P42.7Very low39.7Very low121 Ų121156.4 Ų156.479%0.78678%0.783SS**  cis-120.11601.539.9-27.1000117.4
884F35.5Very low40Very low174 Ų174157.1 Ų157.176%0.76379%0.788SS**  trans-79.3-160.4159.4-65.1-93.1000110.4M882M882-F884 HydrophobicContact CE-CD2 4.33Å; M882-F884 HydrophobicContact SD-CD2 3.78Å; M882-F884 HydrophobicContact SD-CE2 4.29Å
885P51.3Low40.8Very low119 Ų119157.1 Ų157.177%0.77379%0.788SS**  cis-132.3-128.1-8.326.81.9000114
886P57.8Low39.7Very low108 Ų108157.6 Ų157.670%0.70179%0.793SS**  -133.1170.9-94.941.4-25.7000117.6
887R36.8Very low39.5Very low255 Ų255158.9 Ų158.996%0.96280%0.797SS**  trans170.3148.4132.9-93.8165.7-175.3-146.82108.9
888G31.8Very low39.7Very low67 Ų67150.7 Ų150.769%0.69179%0.785SS**  cis171.9123.2-7.900000110.9
889P50.9Low40.3Very low128 Ų128148 Ų14883%0.83179%0.788SS**  trans-85.6-167.417540.5-38.6000110.4
890P48Very low40.3Very low91 Ų91139.3 Ų139.359%0.59178%0.775SS**  cis-135.4-171.314.231.1-2.8000114.3
891F34.9Very low40.4Very low197 Ų197139.8 Ų139.886%0.86478%0.779SS**  -166.117165.2-89.8-76.9000114.8
892Q36.8Very low39.8Very low163 Ų163146.2 Ų146.276%0.76279%0.791SS**  trans-124.3154.3171.7-67.6-179.5-16.700111.3
893R32.5Very low40.4Very low229 Ų229145.3 Ų145.386%0.86480%0.796SS**  141142.3127.3-75.9-172.8-177.9-172.32.2115.8
894H36.4Very low39.9Very low185 Ų185143.1 Ų143.186%0.85680%0.795SS**  trans-92.3-173158.5-62.6-93.8000109.8
895P57.7Low39.9Very low121 Ų121145.5 Ų145.579%0.78681%0.805SS**  cis-129.4-170.9-12.439.8-23000113
896S30.2Very low39.1Very low107 Ų107143.8 Ų143.875%0.74881%0.809SS**  trans175.1143.2131.5-162.50000114.8
897M34.1Very low37.9Very low180 Ų180149.7 Ų149.789%0.88782%0.817SS**  trans35.3150.6149.6-65.2-62.1-16300124.9
898G33.6Very low38.6Very low63 Ų63142.3 Ų142.365%0.64980%0.802SS**  trans-102.9170.8157.800000112.3
899P46.4Very low39.6Very low140 Ų140148.5 Ų148.591%0.90983%0.83SS**  -137.4-17087.238.4-23.3000111.4
900G31.8Very low39Very low64 Ų64149.5 Ų149.566%0.6683%0.83SS**  cis159.6156.2-7.300000111.4
901I34.7Very low38.5Very low181 Ų181152.6 Ų152.693%0.92884%0.843SS**  trans79.5155.2172.7-55.2179.9000117
902R36.3Very low38.7Very low232 Ų232150.1 Ų150.188%0.87584%0.841SS**  trans-109-168.4-172.5-67.6-176.7168.3-153.20.4110.6
903P48.7Very low38.8Very low127 Ų127149.4 Ų149.483%0.82585%0.846SS**  cis-132.5177.5-6.241.8-24.7000116
904G31.4Very low39.2Very low74 Ų74144.4 Ų144.476%0.76385%0.845SS**  trans-174.6141.5169.300000113.5
905F35.4Very low39.4Very low225 Ų225141.7 Ų141.799%0.98784%0.844SS**  trans-88.3152.5-173.1-75.6-109.7000113.6
906G34.5Very low38.1Very low82 Ų82143.1 Ų143.185%0.84585%0.848SS**  trans176.9118.6168.100000115
907R32.9Very low38.7Very low233 Ų233145.9 Ų145.988%0.87986%0.856SS**  trans-132.8165.7172.4-107.4-173.1178.5-111.19.7107.2
908P50.8Low39.1Very low99 Ų99143.1 Ų143.164%0.64385%0.854SS**  cis-117.7-135.5-36.943-26.1000106.5
909P52.7Low39.6Very low197 Ų197150.4 Ų150.4100%1.27987%0.872SS**  cis-71.60-2.3-18.134.6000115.1

Retrieved 909 of 909 residues in 251.2 ms (Link to these results)

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