A0A087XUP4_POEFO Loading...

Neuronal PAS domain protein 4a

AlphaFold DB , UniProt , Accession A0A087XUP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 937 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46Very low71.9Confident236 Ų236130.7 Ų130.7100%1.16369%0.687SS**  096.10-168.9-175.4-149.200107.9R3M1-R3 PolarHBondContact O-N 3.12Å
2Y50.3Low73.5Confident242 Ų242126.3 Ų126.395%0.94965%0.654SS**  trans-72.4113.7-178.4-86.2-90.5000110.1
3R58.2Low75.1Confident235 Ų235126.1 Ų126.189%0.88764%0.639SS**  trans-72.3128168.9-78.1-172.4171.4-169.6-2108.7M1 T5M1-R3 PolarHBondContact O-N 3.12Å; R3-T5 PolarHBondContact O-N 3.17Å
4S57.5Low76.6Confident96 Ų96122.5 Ų122.567%0.67162%0.623SS**  trans-73.1113.4-177.9-167.50000111.4K6S4-K6 PolarHBondContact O-N 3.34Å; S4-K6 VanDerWaalsContact O-N 3.17Å; S4-K6 WeakPolarHBondContact OG-CB 3.3Å
5T70.1Confident77.8Confident115 Ų115122.1 Ų122.171%0.70662%0.618SS**THydrogen-bonded Turntrans-65.1-12.2174.351.40000113.3R3 G7 A8 S9R3-T5 PolarHBondContact O-N 3.17Å; T5-G7 PolarHBondContact O-N 2.91Å; T5-G7 VanDerWaalsContact O-N 3.14Å; T5-A8 PolarHBondContact O-N 2.81Å; T5-A8 VanDerWaalsContact O-N 3.11Å; T5-S9 PolarHBondContact O-N 2.69Å
6K69.7Low78.8Confident164 Ų164115.9 Ų115.971%0.71359%0.587SS**Hα-helixtrans-53.9-32.5-179.8-166173-176.2176.70113.4S4 K10S4-K6 PolarHBondContact O-N 3.34Å; S4-K6 VanDerWaalsContact O-N 3.17Å; S4-K6 WeakPolarHBondContact OG-CB 3.3Å; K6-K10 WeakPolarHBondContact O-CB 3.21Å; K6-K10 PolarHBondContact O-N 2.54Å; K6-K10 VanDerWaalsContact O-N 3.14Å
7G82.2Confident79.8Confident50 Ų50111.9 Ų111.952%0.51557%0.567SS.*Hα-helixtrans-68.4-50.917500000113.1T5 K10 A11T5-G7 PolarHBondContact O-N 2.91Å; T5-G7 VanDerWaalsContact O-N 3.14Å; G7-K10 PolarHBondContact O-N 2.98Å; G7-A11 PolarHBondContact O-N 3.27Å
8A84.7Confident80.7Confident73 Ų73108 Ų10860%0.60355%0.554SS**Hα-helixtrans-65.2-41.8179.700000112.3T5 K10 A11 R12T5-A8 PolarHBondContact O-N 2.81Å; T5-A8 VanDerWaalsContact O-N 3.11Å; A8-K10 VanDerWaalsContact C-N 3.28Å; A8-K10 PolarHBondContact O-N 3.26Å; A8-A11 PolarHBondContact O-N 3.23Å; A8-R12 PolarHBondContact O-N 2.77Å
9S90.8Very high81.5Confident52 Ų52105.2 Ų105.236%0.36454%0.539SS..Hα-helixtrans-64.7-29.1174.4173.80000112.9T5 R13T5-S9 PolarHBondContact O-N 2.69Å; S9-R13 WeakPolarHBondContact O-CG 3.43Å; S9-R13 PolarHBondContact O-NE 3.12Å
10K89.8Confident82.2Confident118 Ų118100.5 Ų100.551%0.51351%0.514SS..Hα-helixtrans-70.7-52.8168.4175163.8177.61730110.7K6 G7 A8 R12 R13 D14K6-K10 WeakPolarHBondContact O-CB 3.21Å; K6-K10 PolarHBondContact O-N 2.54Å; K6-K10 VanDerWaalsContact O-N 3.14Å; G7-K10 PolarHBondContact O-N 2.98Å; A8-K10 VanDerWaalsContact C-N 3.28Å; A8-K10 PolarHBondContact O-N 3.26Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 3.34Å; K10-R13 PolarHBondContact O-N 3Å; K10-D14 WeakPolarHBondContact CE-OD2 3.37Å; K10-D14 WeakPolarHBondContact CG-OD2 3.17Å; K10-D14 IonicContact NZ-OD2 3.3Å; K10-D14 PolarHBondContact O-N 2.91Å
11A91.2Very high82.7Confident57 Ų57101.6 Ų101.647%0.47151%0.512SS..Hα-helixtrans-55-44.4-178.300000113.2G7 A8 R13 D14 Q15G7-A11 PolarHBondContact O-N 3.27Å; A8-A11 PolarHBondContact O-N 3.23Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.47Å; A11-D14 PolarHBondContact O-N 3.02Å; A11-Q15 WeakPolarHBondContact O-CB 3.13Å; A11-Q15 PolarHBondContact O-N 2.67Å
12R92.1Very high85.1Confident78 Ų7894 Ų9429%0.29448%0.476SS..Hα-helixtrans-61.1-40175.7-168.1-166.1-77.5154.1-5.1112.1A8 K10 I16 L922 E929A8-R12 PolarHBondContact O-N 2.77Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 3.34Å; R12-I16 HydrophobicContact CG-CD1 4.19Å; R12-I16 WeakPolarHBondContact O-CB 3.37Å; R12-I16 VanDerWaalsContact O-CG1 3.29Å; R12-I16 WeakPolarHBondContact O-CG1 3.28Å; R12-I16 PolarHBondContact O-N 3.3Å; R12-L922 HydrophobicContact CG-CD2 4.34Å; R12-E929 IonicContact CZ-OE1 2.73Å; R12-E929 VanDerWaalsContact CZ-OE1 3.27Å; R12-E929 IonicContact CZ-OE2 3.69Å; R12-E929 IonicContact NH1-OE1 3.92Å; R12-E929 PolarHBondContact NH1-OE1 2.82Å; R12-E929 IonicContact NH1-OE2 2.79Å; R12-E929 PolarHBondContact NH1-OE2 3.48Å; R12-E929 IonicContact NH2-OE1 3.08Å; R12-E929 PolarHBondContact NH2-OE1 3.29Å
13R94.4Very high87.2Confident123 Ų12382.5 Ų82.546%0.46443%0.432SS..Hα-helixtrans-71.2-39.6176.8-75.2-178.7-66.8152.20.6112.4S9 K10 A11 Q15 I16 N17 F926S9-R13 WeakPolarHBondContact O-CG 3.43Å; S9-R13 PolarHBondContact O-NE 3.12Å; K10-R13 PolarHBondContact O-N 3Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.47Å; R13-Q15 VanDerWaalsContact C-N 3.29Å; R13-Q15 PolarHBondContact O-N 3.1Å; R13-I16 PolarHBondContact O-N 2.8Å; R13-N17 VanDerWaalsContact O-CB 3.3Å; R13-N17 WeakPolarHBondContact O-CB 3.33Å; R13-N17 PolarHBondContact O-N 2.87Å; R13-N17 PolarHBondContact O-ND2 2.8Å; R13-N17 PolarHBondContact O-OD1 3.34Å; R13-F926 HydrophobicContact CG-CZ 4.47Å
14D95.1Very high89Confident76 Ų7673.4 Ų73.441%0.40640%0.398SS..Hα-helixtrans-65.3-35.8176.9-65.6-17.3000111.1K10 A11 A18K10-D14 WeakPolarHBondContact CE-OD2 3.37Å; K10-D14 WeakPolarHBondContact CG-OD2 3.17Å; K10-D14 IonicContact NZ-OD2 3.3Å; K10-D14 PolarHBondContact O-N 2.91Å; A11-D14 PolarHBondContact O-N 3.02Å; D14-A18 PolarHBondContact O-N 2.86Å
15Q95.6Very high90.8Very high117 Ų11773.1 Ų73.155%0.54739%0.389SS..Hα-helixtrans-65.8-50.8170.9-175.5-179.64.200112A11 R13 N17 A18 E19A11-Q15 WeakPolarHBondContact O-CB 3.13Å; A11-Q15 PolarHBondContact O-N 2.67Å; R13-Q15 VanDerWaalsContact C-N 3.29Å; R13-Q15 PolarHBondContact O-N 3.1Å; Q15-N17 VanDerWaalsContact C-N 3.25Å; Q15-N17 PolarHBondContact O-N 2.86Å; Q15-A18 WeakPolarHBondContact O-CA 3.42Å; Q15-A18 VanDerWaalsContact O-CB 3.32Å; Q15-A18 WeakPolarHBondContact O-CB 3.49Å; Q15-A18 PolarHBondContact O-N 2.98Å; Q15-E19 PolarHBondContact O-N 3.16Å
16I93.4Very high91.9Very high23 Ų2370.1 Ų70.112%0.11837%0.369CS..Hα-helixtrans-52.7-46.4173.9-76.9164.9000110.7R12 R13 A18 E19 I20 F919 L922 F926R12-I16 HydrophobicContact CG-CD1 4.19Å; R12-I16 WeakPolarHBondContact O-CB 3.37Å; R12-I16 VanDerWaalsContact O-CG1 3.29Å; R12-I16 WeakPolarHBondContact O-CG1 3.28Å; R12-I16 PolarHBondContact O-N 3.3Å; R13-I16 PolarHBondContact O-N 2.8Å; I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 PolarHBondContact O-N 2.97Å; I16-E19 PolarHBondContact O-N 3.38Å; I16-E19 VanDerWaalsContact O-N 3.13Å; I16-I20 HydrophobicContact CG2-CD1 3.94Å; I16-I20 HydrophobicContact CG2-CG1 4.48Å; I16-I20 WeakPolarHBondContact O-CG1 3.44Å; I16-I20 PolarHBondContact O-N 3.4Å; I16-F919 HydrophobicContact CG2-CE1 3.75Å; I16-F919 HydrophobicContact CG2-CZ 3.97Å; I16-L922 HydrophobicContact CD1-CD1 4.2Å; I16-L922 HydrophobicContact CD1-CD2 4.48Å; I16-L922 HydrophobicContact CG1-CD1 3.97Å; I16-F926 HydrophobicContact CD1-CE2 3.92Å
17N95.6Very high93Very high48 Ų4862.5 Ų62.526%0.25734%0.336SS..Hα-helixtrans-67.8-24.5178.9-66.5-12.1000112.9R13 Q15 R21 Y39R13-N17 VanDerWaalsContact O-CB 3.3Å; R13-N17 WeakPolarHBondContact O-CB 3.33Å; R13-N17 PolarHBondContact O-N 2.87Å; R13-N17 PolarHBondContact O-ND2 2.8Å; R13-N17 PolarHBondContact O-OD1 3.34Å; Q15-N17 VanDerWaalsContact C-N 3.25Å; Q15-N17 PolarHBondContact O-N 2.86Å; N17-R21 WeakPolarHBondContact O-CG 3.26Å; N17-R21 PolarHBondContact O-N 3.35Å; N17-R21 PolarHBondContact O-NE 3.14Å; N17-R21 PolarHBondContact O-NH2 3.05Å; N17-Y39 HydrophobicContact CB-CE2 4.17Å; N17-Y39 WeakPolarHBondContact OD1-CE2 3.17Å
18A95.3Very high93.4Very high41 Ų4164.2 Ų64.234%0.33934%0.338SS..Hα-helixtrans-70.5-44.6169.200000110.9D14 Q15 I16 I20 R21 N22D14-A18 PolarHBondContact O-N 2.86Å; Q15-A18 WeakPolarHBondContact O-CA 3.42Å; Q15-A18 VanDerWaalsContact O-CB 3.32Å; Q15-A18 WeakPolarHBondContact O-CB 3.49Å; Q15-A18 PolarHBondContact O-N 2.98Å; I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 PolarHBondContact O-N 2.97Å; A18-I20 PolarHBondContact O-N 3.5Å; A18-R21 WeakPolarHBondContact O-CB 3.14Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-R21 VanDerWaalsContact O-N 3.13Å; A18-N22 PolarHBondContact O-N 3.43Å
19E95.9Very high93.7Very high54 Ų5461.8 Ų61.825%0.25231%0.314SS..Hα-helixtrans-68-33.6178.7-62.5-50.4158.200113.7Q15 I16 R21 N22 L23 L915 F919Q15-E19 PolarHBondContact O-N 3.16Å; I16-E19 PolarHBondContact O-N 3.38Å; I16-E19 VanDerWaalsContact O-N 3.13Å; E19-R21 VanDerWaalsContact C-N 3.27Å; E19-R21 PolarHBondContact O-N 3.09Å; E19-N22 WeakPolarHBondContact O-CB 3.45Å; E19-N22 PolarHBondContact O-N 3.17Å; E19-N22 PolarHBondContact OE2-ND2 2.9Å; E19-L23 VanDerWaalsContact O-CB 3.24Å; E19-L23 WeakPolarHBondContact O-CB 3.38Å; E19-L23 PolarHBondContact O-N 2.8Å; E19-L915 HydrophobicContact CB-CD1 4.02Å; E19-L915 HydrophobicContact CB-CD2 4.27Å; E19-L915 HydrophobicContact CB-CG 4.47Å; E19-L915 HydrophobicContact CG-CD1 4.06Å; E19-F919 HydrophobicContact CB-CE2 4.39Å
20I95.3Very high93.8Very high11 Ų1162 Ų626%0.05632%0.316CS..Hα-helixtrans-65.2-32.7172.1-60.4171.3000111.1I16 A18 K24 Y39 I42 F919I16-I20 HydrophobicContact CG2-CD1 3.94Å; I16-I20 HydrophobicContact CG2-CG1 4.48Å; I16-I20 WeakPolarHBondContact O-CG1 3.44Å; I16-I20 PolarHBondContact O-N 3.4Å; A18-I20 PolarHBondContact O-N 3.5Å; I20-K24 WeakPolarHBondContact O-CB 3.46Å; I20-K24 PolarHBondContact O-N 3.02Å; I20-Y39 HydrophobicContact CB-CD1 4.39Å; I20-Y39 HydrophobicContact CB-CG 4.48Å; I20-Y39 HydrophobicContact CD1-CD2 3.82Å; I20-Y39 HydrophobicContact CD1-CE2 4.38Å; I20-Y39 HydrophobicContact CD1-CG 4.04Å; I20-Y39 HydrophobicContact CG2-CD1 3.53Å; I20-Y39 HydrophobicContact CG2-CD2 4.42Å; I20-Y39 HydrophobicContact CG2-CE1 4.06Å; I20-Y39 HydrophobicContact CG2-CG 3.73Å; I20-I42 HydrophobicContact CG2-CB 4.21Å; I20-I42 HydrophobicContact CG2-CD1 3.97Å; I20-I42 HydrophobicContact CG2-CG2 3.91Å; I20-F919 HydrophobicContact CD1-CE1 4.29Å; I20-F919 HydrophobicContact CD1-CZ 4.15Å; I20-F919 HydrophobicContact CG1-CE1 4.21Å; I20-F919 HydrophobicContact CG1-CE2 4.43Å; I20-F919 HydrophobicContact CG1-CZ 3.59Å
21R94.6Very high93.9Very high124 Ų12462 Ų6247%0.46832%0.321SS..Hα-helixtrans-72.1-45.3175.2-75.5174.2-72.4169.81.2111.6N17 A18 E19 L23 K24 D25N17-R21 WeakPolarHBondContact O-CG 3.26Å; N17-R21 PolarHBondContact O-N 3.35Å; N17-R21 PolarHBondContact O-NE 3.14Å; N17-R21 PolarHBondContact O-NH2 3.05Å; A18-R21 WeakPolarHBondContact O-CB 3.14Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-R21 VanDerWaalsContact O-N 3.13Å; E19-R21 VanDerWaalsContact C-N 3.27Å; E19-R21 PolarHBondContact O-N 3.09Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 3.26Å; R21-K24 WeakPolarHBondContact O-CB 3.47Å; R21-K24 PolarHBondContact O-N 3Å; R21-D25 PolarHBondContact O-N 2.78Å; R21-D25 VanDerWaalsContact O-N 3.08Å; R21-D25 VanDerWaalsContact O-OD2 3.13Å
22N95.4Very high94Very high76 Ų7662.3 Ų62.341%0.40632%0.324SS..Hα-helixtrans-52.1-51.3170.8-175.716.4000110.8A18 E19 K24 D25 L26A18-N22 PolarHBondContact O-N 3.43Å; E19-N22 WeakPolarHBondContact O-CB 3.45Å; E19-N22 PolarHBondContact O-N 3.17Å; E19-N22 PolarHBondContact OE2-ND2 2.9Å; N22-K24 PolarHBondContact O-N 3.01Å; N22-D25 PolarHBondContact O-N 2.8Å; N22-L26 WeakPolarHBondContact O-CG 3.36Å; N22-L26 PolarHBondContact O-N 2.85Å
23L94.9Very high94Very high2 Ų260 Ų601%0.0132%0.318CS..Hα-helixtrans-57.8-46.3176.9179.558.5000113.4E19 R21 D25 L26 L27 I42 M43 A46 L912 L915E19-L23 VanDerWaalsContact O-CB 3.24Å; E19-L23 WeakPolarHBondContact O-CB 3.38Å; E19-L23 PolarHBondContact O-N 2.8Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 3.26Å; L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 2.84Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-L27 PolarHBondContact O-N 2.82Å; L23-I42 HydrophobicContact CB-CG2 4.33Å; L23-I42 HydrophobicContact CD2-CG2 4.04Å; L23-I42 HydrophobicContact CG-CG2 3.96Å; L23-M43 HydrophobicContact CD2-SD 3.61Å; L23-A46 HydrophobicContact CD1-CB 3.8Å; L23-A46 HydrophobicContact CD2-CB 3.77Å; L23-A46 HydrophobicContact CG-CB 4.04Å; L23-L912 HydrophobicContact CD1-CD1 3.64Å; L23-L912 HydrophobicContact CD1-CD2 3.97Å; L23-L912 HydrophobicContact CD1-CG 3.53Å; L23-L915 HydrophobicContact CB-CD2 3.93Å; L23-L915 HydrophobicContact CD1-CD2 4.38Å; L23-L915 HydrophobicContact CD2-CD2 4.27Å; L23-L915 HydrophobicContact CG-CD2 4.44Å
24K95.4Very high94Very high43 Ų4355.4 Ų55.419%0.18730%0.301CS..Hα-helixtrans-56.4-42.3175.5173.5-16268.375.70112.1I20 R21 N22 L26 L27 K34 I42I20-K24 WeakPolarHBondContact O-CB 3.46Å; I20-K24 PolarHBondContact O-N 3.02Å; R21-K24 WeakPolarHBondContact O-CB 3.47Å; R21-K24 PolarHBondContact O-N 3Å; N22-K24 PolarHBondContact O-N 3.01Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 PolarHBondContact O-N 2.88Å; K24-L27 PolarHBondContact O-N 2.89Å; K24-K34 HydrophobicContact CD-CB 4.32Å; K24-K34 HydrophobicContact CG-CB 4.01Å; K24-K34 HydrophobicContact CG-CG 4.32Å; K24-K34 WeakPolarHBondContact O-CD 3.41Å; K24-I42 HydrophobicContact CB-CD1 3.74Å; K24-I42 HydrophobicContact CB-CG1 3.9Å; K24-I42 HydrophobicContact CB-CG2 4.02Å; K24-I42 HydrophobicContact CD-CD1 3.99Å; K24-I42 HydrophobicContact CG-CD1 3.92Å; K24-I42 HydrophobicContact CG-CG1 4.07Å
25D94.6Very high93.8Very high90 Ų9056 Ų5648%0.48132%0.316SS..Hα-helixtrans-67.6-30.6-177.5-66.2-33.3000112R21 N22 L23 K34R21-D25 PolarHBondContact O-N 2.78Å; R21-D25 VanDerWaalsContact O-N 3.08Å; R21-D25 VanDerWaalsContact O-OD2 3.13Å; N22-D25 PolarHBondContact O-N 2.8Å; L23-D25 VanDerWaalsContact C-N 3.29Å; L23-D25 PolarHBondContact O-N 2.84Å; D25-K34 PolarHBondContact O-NZ 3.08Å
26L94.3Very high93.7Very high53 Ų5356.7 Ų56.728%0.27731%0.314SS..THydrogen-bonded Turntrans-76.1-12.2174.2-60.7179.1000115N22 L23 K24 I908 L912N22-L26 WeakPolarHBondContact O-CG 3.36Å; N22-L26 PolarHBondContact O-N 2.85Å; L23-L26 PolarHBondContact O-N 3.31Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 PolarHBondContact O-N 2.88Å; L26-I908 HydrophobicContact CB-CG2 4.49Å; L26-I908 HydrophobicContact CD2-CG1 4.33Å; L26-L912 HydrophobicContact CB-CD1 4.47Å; L26-L912 HydrophobicContact CD1-CD1 4.01Å
27L92.4Very high93.7Very high4 Ų456.6 Ų56.62%0.02131%0.314CS..SBendtrans-68.1132.4-178.8-66.9177000111.2L23 K24 I29 K34 L37 I42 L45 A46 Y49L23-L27 PolarHBondContact O-N 2.82Å; K24-L27 PolarHBondContact O-N 2.89Å; L27-I29 HydrophobicContact CB-CD1 4.15Å; L27-I29 HydrophobicContact CB-CG1 3.97Å; L27-I29 HydrophobicContact CD1-CD1 4.21Å; L27-I29 PolarHBondContact O-N 3.28Å; L27-K34 WeakPolarHBondContact O-CE 3.39Å; L27-L37 HydrophobicContact CD1-CD1 3.95Å; L27-I42 HydrophobicContact CD1-CG2 4.36Å; L27-L45 HydrophobicContact CD1-CB 3.98Å; L27-L45 HydrophobicContact CD1-CD1 4.13Å; L27-L45 HydrophobicContact CD2-CB 4.16Å; L27-A46 HydrophobicContact CD2-CB 4.37Å; L27-Y49 HydrophobicContact CD2-CD2 3.96Å; L27-Y49 HydrophobicContact CD2-CE2 4.43Å
28P90.1Very high93.7Very high85 Ų8556.5 Ų56.555%0.55232%0.317SS*.SBendtrans-81.764.5-179.535.3-36.7000111.3Y49P28-Y49 HydrophobicContact CG-CD1 3.83Å; P28-Y49 HydrophobicContact CG-CD2 4.36Å; P28-Y49 HydrophobicContact CG-CE1 3.52Å; P28-Y49 HydrophobicContact CG-CE2 4.1Å; P28-Y49 HydrophobicContact CG-CG 4.25Å
29I92.3Very high93.6Very high23 Ų2359.1 Ų59.112%0.11832%0.319CS..SBendtrans-137.3167.8178.563.1177000109.4L27 D33 K34 L37 L45 Y49 M113 V114L27-I29 HydrophobicContact CB-CD1 4.15Å; L27-I29 HydrophobicContact CB-CG1 3.97Å; L27-I29 HydrophobicContact CD1-CD1 4.21Å; L27-I29 PolarHBondContact O-N 3.28Å; I29-D33 HydrophobicContact CD1-CB 4.14Å; I29-D33 HydrophobicContact CG1-CB 4.49Å; I29-K34 HydrophobicContact CD1-CG 3.95Å; I29-K34 HydrophobicContact CG1-CG 3.74Å; I29-K34 VanDerWaalsContact O-CE 3.29Å; I29-K34 WeakPolarHBondContact O-CE 3Å; I29-L37 HydrophobicContact CD1-CD1 3.78Å; I29-L45 HydrophobicContact CD1-CD1 4.22Å; I29-Y49 HydrophobicContact CG2-CE2 4.32Å; I29-Y49 WeakPolarHBondContact CG2-OH 3.19Å; I29-M113 HydrophobicContact CG2-CE 4.31Å; I29-V114 HydrophobicContact CB-CG2 4.47Å; I29-V114 HydrophobicContact CD1-CG2 4.45Å; I29-V114 HydrophobicContact CG2-CG2 4.09Å
30S92.4Very high93.4Very high57 Ų5763.2 Ų63.240%0.39934%0.341SS..  trans-67.5149.5-179.188.70000112.2A32 D33 K34S30-A32 PolarHBondContact O-N 2.86Å; S30-A32 PolarHBondContact OG-N 3.32Å; S30-D33 VanDerWaalsContact CB-OD2 3.31Å; S30-D33 WeakPolarHBondContact CB-OD2 3.46Å; S30-D33 PolarHBondContact N-OD2 3.13Å; S30-D33 WeakPolarHBondContact O-CA 3.35Å; S30-D33 WeakPolarHBondContact O-CB 3.44Å; S30-D33 PolarHBondContact O-N 3.08Å; S30-D33 PolarHBondContact OG-N 2.92Å; S30-D33 PolarHBondContact OG-OD2 3.23Å; S30-K34 PolarHBondContact O-N 2.75Å
31D92.6Very high93.4Very high116 Ų11665.8 Ų65.862%0.6235%0.353SS*.Hα-helixtrans-65.6-24.8177.9-62.5-38.6000112.4D33 K34 A35D31-D33 VanDerWaalsContact C-N 3.28Å; D31-D33 PolarHBondContact O-N 3.08Å; D31-K34 PolarHBondContact O-N 3.42Å; D31-K34 WeakPolarHBondContact OD1-CD 3.4Å; D31-K34 WeakPolarHBondContact OD1-CE 3.45Å; D31-K34 IonicContact OD1-NZ 2.79Å; D31-K34 PolarHBondContact OD1-NZ 3.11Å; D31-A35 WeakPolarHBondContact O-CB 3.48Å; D31-A35 PolarHBondContact O-N 3.33Å
32A91.9Very high93.4Very high65 Ų6560 Ų6054%0.53733%0.331SS..Hα-helixtrans-67.3-27.9171.400000112.6S30 R36S30-A32 PolarHBondContact O-N 2.86Å; S30-A32 PolarHBondContact OG-N 3.32Å; A32-R36 PolarHBondContact O-NE 3.37Å; A32-R36 PolarHBondContact O-NH2 2.91Å
33D92.5Very high93.3Very high29 Ų2958.3 Ų58.316%0.15532%0.321CS..Hα-helixtrans-79.7-48.8171.3-54.3-51.9000110.3I29 S30 D31 A35 R36 L37 V114I29-D33 HydrophobicContact CD1-CB 4.14Å; I29-D33 HydrophobicContact CG1-CB 4.49Å; S30-D33 VanDerWaalsContact CB-OD2 3.31Å; S30-D33 WeakPolarHBondContact CB-OD2 3.46Å; S30-D33 PolarHBondContact N-OD2 3.13Å; S30-D33 WeakPolarHBondContact O-CA 3.35Å; S30-D33 WeakPolarHBondContact O-CB 3.44Å; S30-D33 PolarHBondContact O-N 3.08Å; S30-D33 PolarHBondContact OG-N 2.92Å; S30-D33 PolarHBondContact OG-OD2 3.23Å; D31-D33 VanDerWaalsContact C-N 3.28Å; D31-D33 PolarHBondContact O-N 3.08Å; D33-A35 PolarHBondContact O-N 2.85Å; D33-A35 VanDerWaalsContact O-N 3.1Å; D33-R36 PolarHBondContact O-N 2.98Å; D33-R36 IonicContact OD1-CZ 3.74Å; D33-R36 IonicContact OD1-NH1 3.61Å; D33-R36 PolarHBondContact OD1-NH1 3.38Å; D33-R36 IonicContact OD1-NH2 2.81Å; D33-R36 PolarHBondContact OD1-NH2 3.37Å; D33-L37 WeakPolarHBondContact O-CG 3.42Å; D33-L37 PolarHBondContact O-N 3.42Å; D33-V114 HydrophobicContact CB-CG1 4.44Å; D33-V114 HydrophobicContact CB-CG2 4.32Å
34K93.6Very high93.2Very high26 Ų2659.4 Ų59.411%0.11333%0.329CS..Hα-helixtrans-50.8-38.7175.8-64.7179.7-165.8161.10112.2K24 D25 L27 I29 S30 D31 R36K24-K34 HydrophobicContact CD-CB 4.32Å; K24-K34 HydrophobicContact CG-CB 4.01Å; K24-K34 HydrophobicContact CG-CG 4.32Å; K24-K34 WeakPolarHBondContact O-CD 3.41Å; D25-K34 PolarHBondContact O-NZ 3.08Å; L27-K34 WeakPolarHBondContact O-CE 3.39Å; I29-K34 HydrophobicContact CD1-CG 3.95Å; I29-K34 HydrophobicContact CG1-CG 3.74Å; I29-K34 VanDerWaalsContact O-CE 3.29Å; I29-K34 WeakPolarHBondContact O-CE 3Å; S30-K34 PolarHBondContact O-N 2.75Å; D31-K34 PolarHBondContact O-N 3.42Å; D31-K34 WeakPolarHBondContact OD1-CD 3.4Å; D31-K34 WeakPolarHBondContact OD1-CE 3.45Å; D31-K34 IonicContact OD1-NZ 2.79Å; D31-K34 PolarHBondContact OD1-NZ 3.11Å; K34-R36 VanDerWaalsContact C-N 3.26Å; K34-R36 PolarHBondContact O-N 3Å
35A92.7Very high93.1Very high88 Ų8857.3 Ų57.373%0.72732%0.32SS*.THydrogen-bonded Turntrans-62.8-25.6179.800000114.4D31 D33D31-A35 WeakPolarHBondContact O-CB 3.48Å; D31-A35 PolarHBondContact O-N 3.33Å; D33-A35 PolarHBondContact O-N 2.85Å; D33-A35 VanDerWaalsContact O-N 3.1Å
36R93.4Very high93.1Very high132 Ų13253 Ų5350%0.49830%0.297SS..THydrogen-bonded Turntrans-104.3-2.2-17786.4-174.981.9106.610.3114.8A32 D33 K34A32-R36 PolarHBondContact O-NE 3.37Å; A32-R36 PolarHBondContact O-NH2 2.91Å; D33-R36 PolarHBondContact O-N 2.98Å; D33-R36 IonicContact OD1-CZ 3.74Å; D33-R36 IonicContact OD1-NH1 3.61Å; D33-R36 PolarHBondContact OD1-NH1 3.38Å; D33-R36 IonicContact OD1-NH2 2.81Å; D33-R36 PolarHBondContact OD1-NH2 3.37Å; K34-R36 VanDerWaalsContact C-N 3.26Å; K34-R36 PolarHBondContact O-N 3Å
37L93.4Very high92.9Very high22 Ų2253 Ų5312%0.11530%0.301CS..  trans-72.9137.5-177.2-61.7-175.5000113.1L27 I29 D33 H41 I42 L45 V114L27-L37 HydrophobicContact CD1-CD1 3.95Å; I29-L37 HydrophobicContact CD1-CD1 3.78Å; D33-L37 WeakPolarHBondContact O-CG 3.42Å; D33-L37 PolarHBondContact O-N 3.42Å; L37-H41 HydrophobicContact CB-CB 4.3Å; L37-H41 HydrophobicContact CD2-CB 3.97Å; L37-I42 HydrophobicContact CB-CD1 4.1Å; L37-I42 HydrophobicContact CB-CG1 3.71Å; L37-I42 HydrophobicContact CD1-CG1 3.69Å; L37-I42 HydrophobicContact CG-CG1 4.38Å; L37-L45 HydrophobicContact CD1-CD1 3.63Å; L37-L45 HydrophobicContact CD2-CD1 3.96Å; L37-L45 HydrophobicContact CG-CD1 4.47Å; L37-V114 HydrophobicContact CD2-CG1 3.6Å
38S94.1Very high92.9Very high45 Ų4552.8 Ų52.832%0.31530%0.3SS..  trans-75.7161.616283.80000110.6L40 H41 I42S38-L40 PolarHBondContact O-N 3.15Å; S38-L40 PolarHBondContact OG-N 2.83Å; S38-H41 PolarHBondContact O-N 2.74Å; S38-H41 VanDerWaalsContact O-N 3.08Å; S38-H41 PolarHBondContact OG-CD2 3.02Å; S38-H41 PolarHBondContact OG-N 3.12Å; S38-H41 PolarHBondContact OG-NE2 2.96Å; S38-H41 VanDerWaalsContact OG-NE2 3.13Å; S38-I42 WeakPolarHBondContact O-CG1 3.27Å; S38-I42 PolarHBondContact O-N 3.47Å
39Y94.1Very high93Very high97 Ų9750.1 Ų50.138%0.3828%0.279SS..Hα-helixtrans-58.2-30.4173.7-72.1-3000113N17 I20 I42 M43N17-Y39 HydrophobicContact CB-CE2 4.17Å; N17-Y39 WeakPolarHBondContact OD1-CE2 3.17Å; I20-Y39 HydrophobicContact CB-CD1 4.39Å; I20-Y39 HydrophobicContact CB-CG 4.48Å; I20-Y39 HydrophobicContact CD1-CD2 3.82Å; I20-Y39 HydrophobicContact CD1-CE2 4.38Å; I20-Y39 HydrophobicContact CD1-CG 4.04Å; I20-Y39 HydrophobicContact CG2-CD1 3.53Å; I20-Y39 HydrophobicContact CG2-CD2 4.42Å; I20-Y39 HydrophobicContact CG2-CE1 4.06Å; I20-Y39 HydrophobicContact CG2-CG 3.73Å; Y39-I42 HydrophobicContact CD1-CD1 4.12Å; Y39-M43 WeakPolarHBondContact O-CG 3.41Å; Y39-M43 PolarHBondContact O-N 3.37Å
40L91.8Very high92.8Very high140 Ų14050 Ų5073%0.73328%0.279SS*.Hα-helixtrans-71.1-40174.7-64.3177.4000111.6S38 I42 M43 S44S38-L40 PolarHBondContact O-N 3.15Å; S38-L40 PolarHBondContact OG-N 2.83Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 3.2Å; L40-M43 PolarHBondContact O-N 3.11Å; L40-S44 PolarHBondContact O-N 3.26Å
41H94.3Very high92.7Very high64 Ų6449 Ų4930%0.29627%0.267SS..Hα-helixtrans-67.1-38.9178.9-51.2172.6000111L37 S38 M43 S44 L45 A118L37-H41 HydrophobicContact CB-CB 4.3Å; L37-H41 HydrophobicContact CD2-CB 3.97Å; S38-H41 PolarHBondContact O-N 2.74Å; S38-H41 VanDerWaalsContact O-N 3.08Å; S38-H41 PolarHBondContact OG-CD2 3.02Å; S38-H41 PolarHBondContact OG-N 3.12Å; S38-H41 PolarHBondContact OG-NE2 2.96Å; S38-H41 VanDerWaalsContact OG-NE2 3.13Å; H41-M43 VanDerWaalsContact C-N 3.32Å; H41-M43 PolarHBondContact O-N 2.86Å; H41-S44 PolarHBondContact O-N 2.97Å; H41-L45 WeakPolarHBondContact O-CB 3.31Å; H41-L45 WeakPolarHBondContact O-CD1 3.23Å; H41-L45 WeakPolarHBondContact O-CG 3.46Å; H41-L45 PolarHBondContact O-N 3.13Å; H41-A118 HydrophobicContact CB-CB 3.74Å; H41-A118 VanDerWaalsContact CG-CB 3.49Å
42I95.1Very high92.4Very high3 Ų346 Ų462%0.01525%0.248CC..Hα-helixtrans-57.7-44.9173-68.4155.9000110.6I20 L23 K24 L27 L37 S38 Y39 L40 A46I20-I42 HydrophobicContact CG2-CB 4.21Å; I20-I42 HydrophobicContact CG2-CD1 3.97Å; I20-I42 HydrophobicContact CG2-CG2 3.91Å; L23-I42 HydrophobicContact CB-CG2 4.33Å; L23-I42 HydrophobicContact CD2-CG2 4.04Å; L23-I42 HydrophobicContact CG-CG2 3.96Å; K24-I42 HydrophobicContact CB-CD1 3.74Å; K24-I42 HydrophobicContact CB-CG1 3.9Å; K24-I42 HydrophobicContact CB-CG2 4.02Å; K24-I42 HydrophobicContact CD-CD1 3.99Å; K24-I42 HydrophobicContact CG-CD1 3.92Å; K24-I42 HydrophobicContact CG-CG1 4.07Å; L27-I42 HydrophobicContact CD1-CG2 4.36Å; L37-I42 HydrophobicContact CB-CD1 4.1Å; L37-I42 HydrophobicContact CB-CG1 3.71Å; L37-I42 HydrophobicContact CD1-CG1 3.69Å; L37-I42 HydrophobicContact CG-CG1 4.38Å; S38-I42 WeakPolarHBondContact O-CG1 3.27Å; S38-I42 PolarHBondContact O-N 3.47Å; Y39-I42 HydrophobicContact CD1-CD1 4.12Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-I42 PolarHBondContact O-N 3.2Å; I42-A46 VanDerWaalsContact O-CB 3.27Å; I42-A46 WeakPolarHBondContact O-CB 3.4Å; I42-A46 PolarHBondContact O-N 2.95Å
43M93.8Very high92Very high40 Ų4043.1 Ų43.120%0.19722%0.224CC..Hα-helixtrans-67.8-41.1177-67-57.3-60.100112.5L23 Y39 L40 H41 A46 C47 F919L23-M43 HydrophobicContact CD2-SD 3.61Å; Y39-M43 WeakPolarHBondContact O-CG 3.41Å; Y39-M43 PolarHBondContact O-N 3.37Å; L40-M43 PolarHBondContact O-N 3.11Å; H41-M43 VanDerWaalsContact C-N 3.32Å; H41-M43 PolarHBondContact O-N 2.86Å; M43-A46 PolarHBondContact O-N 2.91Å; M43-C47 WeakPolarHBondContact O-CB 3.19Å; M43-C47 PolarHBondContact O-N 2.89Å; M43-C47 PolarHBondContact O-SG 3.17Å; M43-F919 HydrophobicContact CE-CD1 4.46Å; M43-F919 HydrophobicContact CE-CD2 4.27Å; M43-F919 HydrophobicContact CE-CG 4.15Å
44S93Very high91.5Very high25 Ų2544.6 Ų44.618%0.17523%0.234CC..Hα-helixtrans-61.3-48.5177.4-170.10000111.8L40 H41 A46 C47 M48 V117L40-S44 PolarHBondContact O-N 3.26Å; H41-S44 PolarHBondContact O-N 2.97Å; S44-A46 PolarHBondContact O-N 3.09Å; S44-C47 WeakPolarHBondContact O-CB 3.3Å; S44-C47 PolarHBondContact O-N 3.48Å; S44-M48 PolarHBondContact O-N 2.88Å; S44-V117 WeakPolarHBondContact CB-O 3.34Å; S44-V117 PolarHBondContact OG-O 3.45Å
45L93.6Very high90.9Very high0 Ų044.3 Ų44.30%023%0.233CC..Hα-helixtrans-60.2-45.6175.7-70.7161.7000111.1L27 I29 L37 H41 C47 M48 Y49 M113 V114 V117L27-L45 HydrophobicContact CD1-CB 3.98Å; L27-L45 HydrophobicContact CD1-CD1 4.13Å; L27-L45 HydrophobicContact CD2-CB 4.16Å; I29-L45 HydrophobicContact CD1-CD1 4.22Å; L37-L45 HydrophobicContact CD1-CD1 3.63Å; L37-L45 HydrophobicContact CD2-CD1 3.96Å; L37-L45 HydrophobicContact CG-CD1 4.47Å; H41-L45 WeakPolarHBondContact O-CB 3.31Å; H41-L45 WeakPolarHBondContact O-CD1 3.23Å; H41-L45 WeakPolarHBondContact O-CG 3.46Å; H41-L45 PolarHBondContact O-N 3.13Å; L45-C47 VanDerWaalsContact C-N 3.31Å; L45-C47 PolarHBondContact O-N 3.26Å; L45-M48 HydrophobicContact CD2-CE 4.37Å; L45-M48 PolarHBondContact O-N 3.03Å; L45-M48 VanDerWaalsContact O-N 3.16Å; L45-Y49 HydrophobicContact CB-CD2 4.38Å; L45-Y49 HydrophobicContact CB-CE2 4.34Å; L45-Y49 HydrophobicContact CD2-CE2 4.28Å; L45-Y49 WeakPolarHBondContact O-CD2 3.27Å; L45-Y49 PolarHBondContact O-N 3.3Å; L45-M113 HydrophobicContact CD2-SD 4.48Å; L45-V114 HydrophobicContact CD1-CG1 4.29Å; L45-V117 HydrophobicContact CD2-CB 4.02Å; L45-V117 HydrophobicContact CD2-CG1 3.78Å; L45-V117 HydrophobicContact CG-CG1 4.35Å
46A93.6Very high90.2Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-59.5-39.8175.300000112.7L23 L27 I42 M43 S44 T50 L912L23-A46 HydrophobicContact CD1-CB 3.8Å; L23-A46 HydrophobicContact CD2-CB 3.77Å; L23-A46 HydrophobicContact CG-CB 4.04Å; L27-A46 HydrophobicContact CD2-CB 4.37Å; I42-A46 VanDerWaalsContact O-CB 3.27Å; I42-A46 WeakPolarHBondContact O-CB 3.4Å; I42-A46 PolarHBondContact O-N 2.95Å; M43-A46 PolarHBondContact O-N 2.91Å; S44-A46 PolarHBondContact O-N 3.09Å; A46-T50 VanDerWaalsContact O-CB 3.27Å; A46-T50 WeakPolarHBondContact O-CB 3.33Å; A46-T50 PolarHBondContact O-N 3.26Å; A46-T50 PolarHBondContact O-OG1 2.9Å; A46-L912 HydrophobicContact CB-CD2 4.16Å
47C91.4Very high89.1Confident51 Ų5141.5 Ų41.535%0.34521%0.214SC..Hα-helixtrans-67.1-37.1174.3-72.70000112.6M43 S44 L45 R51M43-C47 WeakPolarHBondContact O-CB 3.19Å; M43-C47 PolarHBondContact O-N 2.89Å; M43-C47 PolarHBondContact O-SG 3.17Å; S44-C47 WeakPolarHBondContact O-CB 3.3Å; S44-C47 PolarHBondContact O-N 3.48Å; L45-C47 VanDerWaalsContact C-N 3.31Å; L45-C47 PolarHBondContact O-N 3.26Å; C47-R51 WeakPolarHBondContact O-CB 3.43Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.34Å; C47-R51 PolarHBondContact O-N 3.13Å; C47-R51 VanDerWaalsContact O-N 3.12Å; C47-R51 PolarHBondContact O-NE 2.84Å
48M91.9Very high87.5Confident1 Ų143.2 Ų43.21%0.00522%0.221CC..Hα-helixtrans-64.7-53.6170.9-175.1-175.866.900111.4S44 L45 T50 R51 K52 L99 M113 V117S44-M48 PolarHBondContact O-N 2.88Å; L45-M48 HydrophobicContact CD2-CE 4.37Å; L45-M48 PolarHBondContact O-N 3.03Å; L45-M48 VanDerWaalsContact O-N 3.16Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.81Å; M48-R51 WeakPolarHBondContact O-CB 3.24Å; M48-R51 PolarHBondContact O-N 2.89Å; M48-R51 VanDerWaalsContact O-N 3.12Å; M48-K52 PolarHBondContact O-N 3.15Å; M48-L99 WeakPolarHBondContact CG-O 3.45Å; M48-M113 HydrophobicContact CE-SD 4.03Å; M48-V117 HydrophobicContact CB-CG1 4.07Å; M48-V117 HydrophobicContact CE-CG1 4.09Å; M48-V117 HydrophobicContact CE-CG2 4.09Å; M48-V117 HydrophobicContact SD-CB 4.38Å; M48-V117 HydrophobicContact SD-CG1 3.82Å; M48-V117 HydrophobicContact SD-CG2 3.61Å
49Y90.7Very high85.4Confident28 Ų2845.2 Ų45.211%0.1123%0.226CC..Hα-helixtrans-63.7-32.1-178.3-72.9-66.1000112.9L27 P28 I29 L45 K52 S53L27-Y49 HydrophobicContact CD2-CD2 3.96Å; L27-Y49 HydrophobicContact CD2-CE2 4.43Å; P28-Y49 HydrophobicContact CG-CD1 3.83Å; P28-Y49 HydrophobicContact CG-CD2 4.36Å; P28-Y49 HydrophobicContact CG-CE1 3.52Å; P28-Y49 HydrophobicContact CG-CE2 4.1Å; P28-Y49 HydrophobicContact CG-CG 4.25Å; I29-Y49 HydrophobicContact CG2-CE2 4.32Å; I29-Y49 WeakPolarHBondContact CG2-OH 3.19Å; L45-Y49 HydrophobicContact CB-CD2 4.38Å; L45-Y49 HydrophobicContact CB-CE2 4.34Å; L45-Y49 HydrophobicContact CD2-CE2 4.28Å; L45-Y49 WeakPolarHBondContact O-CD2 3.27Å; L45-Y49 PolarHBondContact O-N 3.3Å; Y49-K52 PolarHBondContact O-N 2.95Å; Y49-S53 WeakPolarHBondContact O-CB 3.32Å; Y49-S53 PolarHBondContact O-N 3.04Å; Y49-S53 PolarHBondContact O-OG 3.47Å
50T89.9Confident83.2Confident21 Ų2144.6 Ų44.613%0.12924%0.241CC..Hα-helixtrans-68.7-41.8172.8-54.90000111.7A46 M48 S53 V54 I916A46-T50 VanDerWaalsContact O-CB 3.27Å; A46-T50 WeakPolarHBondContact O-CB 3.33Å; A46-T50 PolarHBondContact O-N 3.26Å; A46-T50 PolarHBondContact O-OG1 2.9Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.81Å; T50-S53 PolarHBondContact O-N 2.92Å; T50-S53 PolarHBondContact O-OG 2.91Å; T50-S53 VanDerWaalsContact O-OG 3.06Å; T50-V54 HydrophobicContact CG2-CG2 4.3Å; T50-V54 WeakPolarHBondContact O-CB 3.27Å; T50-V54 VanDerWaalsContact O-CG2 3.26Å; T50-V54 WeakPolarHBondContact O-CG2 3.44Å; T50-V54 PolarHBondContact O-N 2.99Å; T50-I916 HydrophobicContact CG2-CD1 4.02Å; T50-I916 VanDerWaalsContact OG1-CD1 3.23Å; T50-I916 WeakPolarHBondContact OG1-CD1 3.48Å
51R88.4Confident81Confident36 Ų3641.3 Ų41.314%0.13624%0.24CC..Hα-helixtrans-60.7-46.9172.6-77.3175.7-66.6176.8-0.6110.9C47 M48 S53 V54 F55 L98 L99 D121 W191C47-R51 WeakPolarHBondContact O-CB 3.43Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.34Å; C47-R51 PolarHBondContact O-N 3.13Å; C47-R51 VanDerWaalsContact O-N 3.12Å; C47-R51 PolarHBondContact O-NE 2.84Å; M48-R51 WeakPolarHBondContact O-CB 3.24Å; M48-R51 PolarHBondContact O-N 2.89Å; M48-R51 VanDerWaalsContact O-N 3.12Å; R51-S53 PolarHBondContact O-N 2.83Å; R51-V54 PolarHBondContact O-N 3.44Å; R51-F55 WeakPolarHBondContact O-CB 3.44Å; R51-F55 PolarHBondContact O-N 2.84Å; R51-L98 VanDerWaalsContact CZ-O 3.23Å; R51-L98 PolarHBondContact NH1-O 3.02Å; R51-L98 PolarHBondContact NH2-O 3.11Å; R51-L99 HydrophobicContact CB-CD1 4.44Å; R51-L99 HydrophobicContact CB-CG 4.27Å; R51-D121 IonicContact CZ-OD2 3.39Å; R51-D121 IonicContact NH1-OD2 3.63Å; R51-D121 PolarHBondContact NH1-OD2 3.45Å; R51-D121 IonicContact NH2-OD2 2.98Å; R51-W191 HydrophobicContact CB-CH2 4Å; R51-W191 HydrophobicContact CB-CZ2 4.27Å; R51-W191 HydrophobicContact CG-CH2 4.14Å; R51-W191 WeakPolarHBondContact O-CZ2 3.39Å
52K86.8Confident78.7Confident54 Ų5442.3 Ų42.324%0.23526%0.255CS..Hα-helixtrans-54.6-51174.7-169.4174.3177.71730111.7M48 Y49 F55 F56 L99 Y100M48-K52 PolarHBondContact O-N 3.15Å; Y49-K52 PolarHBondContact O-N 2.95Å; K52-F55 PolarHBondContact O-N 2.91Å; K52-F56 HydrophobicContact CD-CE2 4.44Å; K52-F56 HydrophobicContact CG-CD2 3.8Å; K52-F56 HydrophobicContact CG-CE2 3.77Å; K52-F56 VanDerWaalsContact O-CD2 3.25Å; K52-F56 WeakPolarHBondContact O-CD2 3.47Å; K52-F56 PolarHBondContact O-N 3.25Å; K52-L99 WeakPolarHBondContact CB-O 3.47Å; K52-Y100 HydrophobicContact CD-CD2 4.01Å; K52-Y100 HydrophobicContact CD-CG 4.38Å
53S83.6Confident76.2Confident3 Ų344.6 Ų44.62%0.02127%0.274CS..Hα-helixtrans-67.9-41.8-176.862.80000112.7Y49 T50 R51 F55 T57 C909Y49-S53 WeakPolarHBondContact O-CB 3.32Å; Y49-S53 PolarHBondContact O-N 3.04Å; Y49-S53 PolarHBondContact O-OG 3.47Å; T50-S53 PolarHBondContact O-N 2.92Å; T50-S53 PolarHBondContact O-OG 2.91Å; T50-S53 VanDerWaalsContact O-OG 3.06Å; R51-S53 PolarHBondContact O-N 2.83Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 2.82Å; S53-T57 WeakPolarHBondContact O-CB 3.47Å; S53-T57 PolarHBondContact O-N 3.24Å; S53-T57 PolarHBondContact O-OG1 2.9Å; S53-C909 WeakPolarHBondContact CB-SG 3.49Å; S53-C909 PolarHBondContact OG-SG 3.05Å
54V83.1Confident73.7Confident61 Ų6146.8 Ų46.837%0.3731%0.307SS..Hα-helixtrans-67.2-31.5179.5177.40000111.3T50 R51T50-V54 HydrophobicContact CG2-CG2 4.3Å; T50-V54 WeakPolarHBondContact O-CB 3.27Å; T50-V54 VanDerWaalsContact O-CG2 3.26Å; T50-V54 WeakPolarHBondContact O-CG2 3.44Å; T50-V54 PolarHBondContact O-N 2.99Å; R51-V54 PolarHBondContact O-N 3.44Å
55F80.9Confident71.1Confident19 Ų1949 Ų498%0.08332%0.323CS..Hα-helixtrans-63.3-63.5171.8-176.7-96.5000111.6R51 K52 S53 T57 Q58 L99 L178 W191 V196R51-F55 WeakPolarHBondContact O-CB 3.44Å; R51-F55 PolarHBondContact O-N 2.84Å; K52-F55 PolarHBondContact O-N 2.91Å; S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 2.82Å; F55-T57 VanDerWaalsContact C-N 3.27Å; F55-T57 PolarHBondContact O-N 2.91Å; F55-Q58 WeakPolarHBondContact O-CB 3.34Å; F55-Q58 PolarHBondContact O-N 3.17Å; F55-L99 HydrophobicContact CB-CD2 4.11Å; F55-L99 HydrophobicContact CD2-CD2 4.16Å; F55-L99 HydrophobicContact CG-CD2 4.02Å; F55-L178 HydrophobicContact CE1-CD1 3.87Å; F55-L178 HydrophobicContact CZ-CD1 3.61Å; F55-W191 HydrophobicContact CB-CZ2 4.22Å; F55-W191 HydrophobicContact CD2-CB 4.37Å; F55-W191 AromaticContact CD2-CD2 3.89Å; F55-W191 HydrophobicContact CD2-CD2 3.89Å; F55-W191 HydrophobicContact CD2-CE3 4.18Å; F55-W191 AromaticContact CD2-CG 3.96Å; F55-W191 HydrophobicContact CD2-CG 3.96Å; F55-V196 HydrophobicContact CD2-CG2 3.89Å; F55-V196 HydrophobicContact CE2-CB 3.77Å; F55-V196 HydrophobicContact CE2-CG1 4.07Å; F55-V196 HydrophobicContact CE2-CG2 3.53Å; F55-V196 HydrophobicContact CZ-CB 4.05Å; F55-V196 HydrophobicContact CZ-CG1 4.03Å; F55-V196 HydrophobicContact CZ-CG2 4.31Å
56F77.1Confident68.9Low87 Ų8756.7 Ų56.738%0.38236%0.364SS..Hα-helixtrans-66.5-23-175.8-70.6-66.4000114.4K52 Q58 E59 L91K52-F56 HydrophobicContact CD-CE2 4.44Å; K52-F56 HydrophobicContact CG-CD2 3.8Å; K52-F56 HydrophobicContact CG-CE2 3.77Å; K52-F56 VanDerWaalsContact O-CD2 3.25Å; K52-F56 WeakPolarHBondContact O-CD2 3.47Å; K52-F56 PolarHBondContact O-N 3.25Å; F56-Q58 VanDerWaalsContact C-N 3.26Å; F56-Q58 PolarHBondContact O-N 3.24Å; F56-E59 WeakPolarHBondContact CD1-OE2 3.44Å; F56-L91 HydrophobicContact CE2-CD2 4.19Å; F56-L91 HydrophobicContact CZ-CD2 3.69Å
57T71.2Confident66.5Low74 Ų7466 Ų6645%0.45441%0.407SS..Hα-helixtrans-71.6-21.9174.9-56.30000112.1S53 F55S53-T57 WeakPolarHBondContact O-CB 3.47Å; S53-T57 PolarHBondContact O-N 3.24Å; S53-T57 PolarHBondContact O-OG1 2.9Å; F55-T57 VanDerWaalsContact C-N 3.27Å; F55-T57 PolarHBondContact O-N 2.91Å
58Q58.3Low64.3Low58 Ų5872 Ų7227%0.27143%0.43SS..Hα-helixtrans-73.3-35.3178.6-173.3171.4-26.200112.1F55 F56 G61 S189F55-Q58 WeakPolarHBondContact O-CB 3.34Å; F55-Q58 PolarHBondContact O-N 3.17Å; F56-Q58 VanDerWaalsContact C-N 3.26Å; F56-Q58 PolarHBondContact O-N 3.24Å; Q58-G61 PolarHBondContact O-N 3Å; Q58-S189 VanDerWaalsContact OE1-CB 3.26Å; Q58-S189 PolarHBondContact OE1-OG 3.31Å
59E51.2Low61.9Low88 Ų8875.1 Ų75.141%0.41145%0.452SS..Hα-helixtrans-67.7-42.9-178.9-63173.2149.800111.7F56 G61 S62F56-E59 WeakPolarHBondContact CD1-OE2 3.44Å; E59-G61 PolarHBondContact O-N 3.05Å; E59-G61 VanDerWaalsContact O-N 3.12Å; E59-S62 PolarHBondContact O-N 2.95Å; E59-S62 PolarHBondContact O-OG 2.95Å
60A46.7Very low59.6Low84 Ų8477.2 Ų77.269%0.69448%0.475SS*.THydrogen-bonded Turntrans-64.5-13.3175.400000114
61G46.3Very low57.2Low70 Ų7081.2 Ų81.272%0.72251%0.51SS*.THydrogen-bonded Turntrans-85.8-13.5-179.300000115.4Q58 E59Q58-G61 PolarHBondContact O-N 3Å; E59-G61 PolarHBondContact O-N 3.05Å; E59-G61 VanDerWaalsContact O-N 3.12Å
62S46.4Very low55Low86 Ų8687.6 Ų87.660%0.60154%0.539SS*.THydrogen-bonded Turntrans-110.3-9.3-17856.10000115E59 G64E59-S62 PolarHBondContact O-N 2.95Å; E59-S62 PolarHBondContact O-OG 2.95Å; S62-G64 PolarHBondContact O-N 2.7Å
63A42.2Very low53.3Low51 Ų5188.5 Ų88.542%0.42155%0.547SS..  trans-81.676.9179.700000111.6S65A63-S65 PolarHBondContact O-N 3.4Å
64G41.5Very low52.2Low85 Ų8590.9 Ų90.988%0.87656%0.563SS**  trans-7431.2176.500000115.1S62S62-G64 PolarHBondContact O-N 2.7Å
65S38.6Very low51.1Low73 Ų7394.1 Ų94.151%0.5157%0.572SS.*  trans-154.995.6-17053.90000110.9A63 E67A63-S65 PolarHBondContact O-N 3.4Å; S65-E67 PolarHBondContact O-N 3.47Å; S65-E67 VanDerWaalsContact O-N 3.12Å
66D46.8Very low50.6Low161 Ų16199.1 Ų99.186%0.86160%0.596SS**THydrogen-bonded Turntrans-67-6.9-175.3-84.3-45000115.1
67E44.4Very low50.3Low194 Ų19499.5 Ų99.591%0.90760%0.599SS**THydrogen-bonded Turntrans-98.7-10.8-166.5-59.7-85.610800114.7S65S65-E67 PolarHBondContact O-N 3.47Å; S65-E67 VanDerWaalsContact O-N 3.12Å
68E44.2Very low50.2Low178 Ų178100 Ų10083%0.83260%0.598SS**  trans-133.317.3-173.2-146-178.5150.300114.6A70E68-A70 PolarHBondContact O-N 2.95Å
69S41.4Very low50.9Low67 Ų6799.8 Ų99.847%0.46960%0.603SS.*SBendtrans-79.582.8174.5-73.20000112F72S69-F72 WeakPolarHBondContact O-CD2 3.45Å; S69-F72 WeakPolarHBondContact O-CE2 3.5Å
70A42.3Very low51.9Low72 Ų72100.3 Ų100.360%0.59561%0.606SS**  trans59.8144.816400000119E68 F72E68-A70 PolarHBondContact O-N 2.95Å; A70-F72 HydrophobicContact CB-CD2 4.09Å; A70-F72 HydrophobicContact CB-CE2 4.09Å; A70-F72 HydrophobicContact CB-CG 4.4Å; A70-F72 HydrophobicContact CB-CZ 4.38Å; A70-F72 PolarHBondContact O-N 3.36Å
71A39.5Very low53.3Low105 Ų10598.4 Ų98.487%0.86858%0.584SS**  trans-69.576.7156.600000109.3L73A71-L73 PolarHBondContact O-N 3.32Å; A71-L73 VanDerWaalsContact O-N 3.09Å
72F42.7Very low54.7Low169 Ų16997.9 Ų97.974%0.74156%0.563SS**  trans-63.1110.8178.2-81.9-73.9000110.5S69 A70 S74S69-F72 WeakPolarHBondContact O-CD2 3.45Å; S69-F72 WeakPolarHBondContact O-CE2 3.5Å; A70-F72 HydrophobicContact CB-CD2 4.09Å; A70-F72 HydrophobicContact CB-CE2 4.09Å; A70-F72 HydrophobicContact CB-CG 4.4Å; A70-F72 HydrophobicContact CB-CZ 4.38Å; A70-F72 PolarHBondContact O-N 3.36Å; F72-S74 PolarHBondContact O-N 2.92Å
73L50.5Low56Low74 Ų74101.8 Ų101.839%0.38757%0.572SS.*  trans-47.9132.4158.4-64.1178.4000108.5A71 E77 L81A71-L73 PolarHBondContact O-N 3.32Å; A71-L73 VanDerWaalsContact O-N 3.09Å; L73-E77 HydrophobicContact CB-CB 4.09Å; L73-E77 HydrophobicContact CD2-CB 4.31Å; L73-L81 HydrophobicContact CD1-CD2 3.73Å
74S60.6Low57.4Low52 Ų52103.2 Ų103.236%0.36458%0.583SS.*  trans-59.6160.2175.170.90000110.3F72 H76 E77 L78F72-S74 PolarHBondContact O-N 2.92Å; S74-H76 PolarHBondContact O-N 3.24Å; S74-E77 WeakPolarHBondContact CA-OE2 3.26Å; S74-E77 WeakPolarHBondContact CB-OE2 3.21Å; S74-E77 PolarHBondContact N-OE2 3.29Å; S74-E77 PolarHBondContact O-N 2.91Å; S74-E77 VanDerWaalsContact O-N 3.11Å; S74-E77 PolarHBondContact OG-N 3.36Å; S74-E77 PolarHBondContact OG-OE2 3.14Å; S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 3.4Å
75F61.3Low59.1Low129 Ų129100.2 Ų100.257%0.56655%0.547SS*.Hα-helixtrans-56.3-28.6176.2179.6-94.9000112.7S79 L898F75-S79 VanDerWaalsContact O-CB 3.26Å; F75-S79 WeakPolarHBondContact O-CB 3.39Å; F75-S79 PolarHBondContact O-N 2.89Å; F75-L898 HydrophobicContact CD1-CD1 3.65Å; F75-L898 HydrophobicContact CD2-CD1 3.82Å; F75-L898 HydrophobicContact CD2-CD2 3.51Å; F75-L898 HydrophobicContact CD2-CG 4.31Å; F75-L898 HydrophobicContact CE1-CD1 3.55Å; F75-L898 HydrophobicContact CE2-CD1 3.7Å; F75-L898 HydrophobicContact CE2-CD2 3.74Å; F75-L898 HydrophobicContact CE2-CG 4.38Å; F75-L898 HydrophobicContact CG-CD1 3.79Å; F75-L898 HydrophobicContact CG-CD2 4.06Å; F75-L898 HydrophobicContact CZ-CD1 3.57Å; F75-L898 HydrophobicContact CZ-CD2 4.47Å
76H69Low60.9Low125 Ų125100.7 Ų100.758%0.57955%0.548SS*.Hα-helixtrans-66.8-56.7174.4-162.1-83.2000110.5S74 L78 S79 E80S74-H76 PolarHBondContact O-N 3.24Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-L78 PolarHBondContact O-N 3.48Å; H76-S79 WeakPolarHBondContact O-CB 3.4Å; H76-S79 PolarHBondContact O-N 2.82Å; H76-E80 IonicContact CE1-OE1 3.48Å; H76-E80 PolarHBondContact CE1-OE1 2.88Å; H76-E80 VanDerWaalsContact CE1-OE1 3.25Å; H76-E80 IonicContact CE1-OE2 3.72Å; H76-E80 PolarHBondContact CE1-OE2 2.9Å; H76-E80 VanDerWaalsContact CE1-OE2 3.3Å; H76-E80 IonicContact CG-OE2 2.84Å; H76-E80 IonicContact ND1-OE1 3.49Å; H76-E80 IonicContact ND1-OE2 3.24Å; H76-E80 PolarHBondContact ND1-OE2 2.86Å; H76-E80 WeakPolarHBondContact O-CG 3.3Å; H76-E80 PolarHBondContact O-N 3Å
77E71.3Confident62.9Low95 Ų9593.1 Ų93.144%0.44451%0.508SS..Hα-helixtrans-61-36.8180-67.8155.8123.600112.3L73 S74 L81L73-E77 HydrophobicContact CB-CB 4.09Å; L73-E77 HydrophobicContact CD2-CB 4.31Å; S74-E77 WeakPolarHBondContact CA-OE2 3.26Å; S74-E77 WeakPolarHBondContact CB-OE2 3.21Å; S74-E77 PolarHBondContact N-OE2 3.29Å; S74-E77 PolarHBondContact O-N 2.91Å; S74-E77 VanDerWaalsContact O-N 3.11Å; S74-E77 PolarHBondContact OG-N 3.36Å; S74-E77 PolarHBondContact OG-OE2 3.14Å; E77-L81 WeakPolarHBondContact O-CB 3.39Å; E77-L81 PolarHBondContact O-N 2.78Å
78L70.2Confident65.2Low83 Ų8383.9 Ų83.944%0.43547%0.465SS..Hα-helixtrans-67.2-39.1174.1-177.863.3000112.1S74 H76 M82S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 3.4Å; H76-L78 VanDerWaalsContact C-N 3.31Å; H76-L78 PolarHBondContact O-N 3.48Å; L78-M82 WeakPolarHBondContact O-CB 3.11Å; L78-M82 WeakPolarHBondContact O-CG 3.27Å; L78-M82 PolarHBondContact O-N 2.88Å
79S71.6Confident67.5Low55 Ų5576.7 Ų76.739%0.38543%0.432SS..Hα-helixtrans-68.4-41.4175.7-172.90000111.5F75 H76 M82 Q83F75-S79 VanDerWaalsContact O-CB 3.26Å; F75-S79 WeakPolarHBondContact O-CB 3.39Å; F75-S79 PolarHBondContact O-N 2.89Å; H76-S79 WeakPolarHBondContact O-CB 3.4Å; H76-S79 PolarHBondContact O-N 2.82Å; S79-M82 PolarHBondContact O-N 2.95Å; S79-Q83 VanDerWaalsContact O-CB 3.32Å; S79-Q83 WeakPolarHBondContact O-CB 3.08Å; S79-Q83 PolarHBondContact O-N 3.24Å
80E73.6Confident70Confident99 Ų9973.6 Ų73.646%0.46341%0.41SS..Hα-helixtrans-65.6-43.3174.8-72.6178126.200111.3H76 M82 Q83 A84H76-E80 IonicContact CE1-OE1 3.48Å; H76-E80 PolarHBondContact CE1-OE1 2.88Å; H76-E80 VanDerWaalsContact CE1-OE1 3.25Å; H76-E80 IonicContact CE1-OE2 3.72Å; H76-E80 PolarHBondContact CE1-OE2 2.9Å; H76-E80 VanDerWaalsContact CE1-OE2 3.3Å; H76-E80 IonicContact CG-OE2 2.84Å; H76-E80 IonicContact ND1-OE1 3.49Å; H76-E80 IonicContact ND1-OE2 3.24Å; H76-E80 PolarHBondContact ND1-OE2 2.86Å; H76-E80 WeakPolarHBondContact O-CG 3.3Å; H76-E80 PolarHBondContact O-N 3Å; E80-M82 VanDerWaalsContact C-N 3.34Å; E80-M82 PolarHBondContact O-N 2.94Å; E80-Q83 CarbonylContact O-C 3.57Å; E80-Q83 PolarHBondContact O-N 3.21Å; E80-Q83 VanDerWaalsContact O-N 3.08Å; E80-A84 VanDerWaalsContact O-CB 3.27Å; E80-A84 WeakPolarHBondContact O-CB 3.32Å; E80-A84 PolarHBondContact O-N 3.04Å
81L74.7Confident72.4Confident44 Ų4470.6 Ų70.623%0.2338%0.384CS..Hα-helixtrans-60.8-42.8174.9-176.565.2000111.7L73 E77 Q83 A84 M85 F231L73-L81 HydrophobicContact CD1-CD2 3.73Å; E77-L81 WeakPolarHBondContact O-CB 3.39Å; E77-L81 PolarHBondContact O-N 2.78Å; L81-Q83 VanDerWaalsContact C-N 3.29Å; L81-Q83 PolarHBondContact O-N 2.86Å; L81-A84 PolarHBondContact O-N 2.92Å; L81-M85 WeakPolarHBondContact O-CB 3.42Å; L81-M85 PolarHBondContact O-N 2.87Å; L81-F231 HydrophobicContact CD1-CE2 3.7Å; L81-F231 HydrophobicContact CD1-CZ 3.83Å; L81-F231 HydrophobicContact CD2-CE2 4.03Å; L81-F231 HydrophobicContact CD2-CZ 4.03Å; L81-F231 HydrophobicContact CG-CE2 4.11Å; L81-F231 HydrophobicContact CG-CZ 3.88Å
82M75.3Confident74.9Confident59 Ų5965.7 Ų65.729%0.29134%0.343SS..Hα-helixtrans-65-30.7173.6-81.8-169.164.200113.3L78 S79 E80 Y100L78-M82 WeakPolarHBondContact O-CB 3.11Å; L78-M82 WeakPolarHBondContact O-CG 3.27Å; L78-M82 PolarHBondContact O-N 2.88Å; S79-M82 PolarHBondContact O-N 2.95Å; E80-M82 VanDerWaalsContact C-N 3.34Å; E80-M82 PolarHBondContact O-N 2.94Å; M82-Y100 WeakPolarHBondContact CE-OH 3.25Å
83Q74.1Confident77.2Confident168 Ų16857.6 Ų57.679%0.78531%0.308SS*.Hα-helixtrans-86.6-24.5180-169.316538.400113.2S79 E80 L81S79-Q83 VanDerWaalsContact O-CB 3.32Å; S79-Q83 WeakPolarHBondContact O-CB 3.08Å; S79-Q83 PolarHBondContact O-N 3.24Å; E80-Q83 CarbonylContact O-C 3.57Å; E80-Q83 PolarHBondContact O-N 3.21Å; E80-Q83 VanDerWaalsContact O-N 3.08Å; L81-Q83 VanDerWaalsContact C-N 3.29Å; L81-Q83 PolarHBondContact O-N 2.86Å
84A72Confident79Confident80 Ų8055 Ų5566%0.66130%0.298SS*.Hα-helixtrans-86.9-14173.300000113.1E80 L81 P86E80-A84 VanDerWaalsContact O-CB 3.27Å; E80-A84 WeakPolarHBondContact O-CB 3.32Å; E80-A84 PolarHBondContact O-N 3.04Å; L81-A84 PolarHBondContact O-N 2.92Å; A84-P86 WeakPolarHBondContact O-CD 3.14Å
85M76.4Confident80.4Confident22 Ų2256.1 Ų56.111%0.10830%0.298CS..  trans-59.1123.4178.2-171.2-174.9-44.100111.1L81 G87 L89 F200 F231L81-M85 WeakPolarHBondContact O-CB 3.42Å; L81-M85 PolarHBondContact O-N 2.87Å; M85-G87 PolarHBondContact O-N 3.49Å; M85-L89 HydrophobicContact CE-CB 4.35Å; M85-L89 HydrophobicContact SD-CB 4.43Å; M85-F200 HydrophobicContact SD-CD1 4.29Å; M85-F231 HydrophobicContact CE-CE1 3.95Å; M85-F231 HydrophobicContact CE-CZ 4.43Å; M85-F231 HydrophobicContact CG-CD1 4.35Å; M85-F231 HydrophobicContact CG-CE1 3.85Å; M85-F231 HydrophobicContact SD-CE1 4.19Å
86P76.8Confident81.9Confident84 Ų8450 Ų5055%0.54527%0.271SS..SBendtrans-78.650.8-179.733.7-36.9000112.3A84A84-P86 WeakPolarHBondContact O-CD 3.14Å
87G88.8Confident83Confident1 Ų147 Ų471%0.0126%0.256CS..SBendtrans169.7-147.2-173.400000113.9M85 S104 H108 C201M85-G87 PolarHBondContact O-N 3.49Å; G87-S104 WeakPolarHBondContact O-CB 3.14Å; G87-S104 PolarHBondContact O-OG 3.27Å; G87-H108 PolarHBondContact O-CE1 2.68Å; G87-H108 VanDerWaalsContact O-CE1 3.26Å; G87-H108 PolarHBondContact O-ND1 3.41Å; G87-C201 VanDerWaalsContact CA-O 3.28Å; G87-C201 WeakPolarHBondContact CA-O 3.38Å
88F92.3Very high84.1Confident1 Ų142.4 Ų42.40%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-142.3160.3178.760.8-81.2000112.2M90 L101 S102 S104 V105 H108 L109 F155 V171 C201 P203F88-M90 HydrophobicContact CD2-CG 4Å; F88-M90 HydrophobicContact CD2-SD 4.31Å; F88-M90 HydrophobicContact CE2-CG 4.04Å; F88-M90 HydrophobicContact CE2-SD 3.73Å; F88-L101 HydrophobicContact CD2-CD1 4.02Å; F88-L101 HydrophobicContact CE2-CD1 4.45Å; F88-S102 WeakPolarHBondContact CA-OG 3.39Å; F88-S102 WeakPolarHBondContact CB-OG 3.17Å; F88-S104 WeakPolarHBondContact CA-OG 3.43Å; F88-S104 WeakPolarHBondContact CB-OG 3.49Å; F88-V105 HydrophobicContact CB-CB 4.22Å; F88-V105 HydrophobicContact CD2-CB 4.07Å; F88-V105 HydrophobicContact CD2-CG2 3.85Å; F88-V105 HydrophobicContact CE2-CG2 3.94Å; F88-V105 HydrophobicContact CG-CB 4.14Å; F88-V105 HydrophobicContact CG-CG2 4.19Å; F88-V105 HydrophobicContact CZ-CG2 4.37Å; F88-H108 HydrophobicContact CD1-CB 4.04Å; F88-H108 HydrophobicContact CE1-CB 4.27Å; F88-L109 HydrophobicContact CE1-CD2 4.46Å; F88-L109 HydrophobicContact CE1-CG 4.4Å; F88-L109 HydrophobicContact CZ-CD1 4.09Å; F88-L109 HydrophobicContact CZ-CG 4.34Å; F88-F155 HydrophobicContact CE2-CD1 4.46Å; F88-F155 HydrophobicContact CE2-CE1 4.02Å; F88-F155 HydrophobicContact CE2-CZ 4.47Å; F88-F155 HydrophobicContact CZ-CD1 4.04Å; F88-F155 AromaticContact CZ-CE1 3.9Å; F88-F155 HydrophobicContact CZ-CE1 3.9Å; F88-F155 HydrophobicContact CZ-CG 4.48Å; F88-F155 HydrophobicContact CZ-CZ 4.22Å; F88-V171 HydrophobicContact CE1-CG1 4.34Å; F88-V171 HydrophobicContact CE1-CG2 4.41Å; F88-V171 HydrophobicContact CZ-CG1 4.39Å; F88-C201 HydrophobicContact CD1-CB 3.91Å; F88-C201 HydrophobicContact CD2-CB 3.76Å; F88-C201 HydrophobicContact CE1-CB 3.72Å; F88-C201 HydrophobicContact CE2-CB 3.57Å; F88-C201 HydrophobicContact CG-CB 3.93Å; F88-C201 HydrophobicContact CZ-CB 3.55Å; F88-C201 PolarHBondContact N-O 2.98Å; F88-C201 WeakPolarHBondContact O-CB 3.39Å; F88-C201 PolarHBondContact O-N 3.2Å; F88-P203 HydrophobicContact CE1-CG 4.32Å
89L92.4Very high85.1Confident26 Ų2638.5 Ų38.514%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-113.5137.1-176.1-175.562000110.2M85 L91 Y100 L101 S102 V198 F200M85-L89 HydrophobicContact CE-CB 4.35Å; M85-L89 HydrophobicContact SD-CB 4.43Å; L89-L91 HydrophobicContact CG-CD1 4.49Å; L89-Y100 HydrophobicContact CD2-CE1 4.33Å; L89-L101 CarbonylContact O-C 3.6Å; L89-L101 WeakPolarHBondContact O-CA 3.16Å; L89-S102 PolarHBondContact N-OG 2.88Å; L89-S102 PolarHBondContact O-N 3.43Å; L89-V198 HydrophobicContact CD1-CG1 3.69Å; L89-F200 HydrophobicContact CD1-CD1 3.77Å; L89-F200 HydrophobicContact CD1-CD2 4.4Å; L89-F200 HydrophobicContact CD1-CE1 3.65Å; L89-F200 HydrophobicContact CD1-CE2 4.29Å; L89-F200 HydrophobicContact CD1-CG 4.14Å; L89-F200 HydrophobicContact CD1-CZ 3.9Å
90M93.9Very high86.1Confident2 Ų237.5 Ų37.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-129.7141.9173.8-46.2-179.165.800110.2F88 L92 L98 Y100 L101 V123 I126 F155 C199F88-M90 HydrophobicContact CD2-CG 4Å; F88-M90 HydrophobicContact CD2-SD 4.31Å; F88-M90 HydrophobicContact CE2-CG 4.04Å; F88-M90 HydrophobicContact CE2-SD 3.73Å; M90-L92 HydrophobicContact CB-CG 4.48Å; M90-L92 HydrophobicContact CE-CD2 4.29Å; M90-L98 HydrophobicContact CE-CD2 3.62Å; M90-Y100 CarbonylContact C-O 3.57Å; M90-Y100 WeakPolarHBondContact CA-O 3.39Å; M90-L101 HydrophobicContact CE-CD1 4.27Å; M90-L101 HydrophobicContact CG-CD1 3.78Å; M90-L101 HydrophobicContact SD-CD1 4.45Å; M90-V123 HydrophobicContact CE-CG2 4.07Å; M90-I126 HydrophobicContact CE-CD1 4.5Å; M90-F155 HydrophobicContact CE-CE1 4.45Å; M90-F155 HydrophobicContact SD-CE1 3.87Å; M90-F155 HydrophobicContact SD-CZ 4.12Å; M90-C199 HydrophobicContact CB-CB 4.21Å; M90-C199 PolarHBondContact N-O 2.98Å; M90-C199 PolarHBondContact O-N 3.12Å
91L93.3Very high87.1Confident10 Ų1032.9 Ų32.95%0.05218%0.181CC..EExtended strand (participates in β ladder)trans-111.2128.9160.7-86.366.8000109.2F56 L89 L99 Y100 V196 W197 V198F56-L91 HydrophobicContact CE2-CD2 4.19Å; F56-L91 HydrophobicContact CZ-CD2 3.69Å; L89-L91 HydrophobicContact CG-CD1 4.49Å; L91-L99 HydrophobicContact CB-CB 3.9Å; L91-L99 PolarHBondContact O-N 2.75Å; L91-Y100 HydrophobicContact CD1-CD1 4.29Å; L91-Y100 PolarHBondContact N-O 2.79Å; L91-Y100 PolarHBondContact O-N 2.76Å; L91-V196 HydrophobicContact CD2-CG1 4.47Å; L91-W197 WeakPolarHBondContact CA-O 3.37Å; L91-V198 HydrophobicContact CD1-CG1 4.23Å; L91-V198 HydrophobicContact CD1-CG2 4.1Å; L91-V198 HydrophobicContact CG-CG2 4.05Å
92L92.6Very high87.9Confident1 Ų130.8 Ų30.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-128148.3-175.6-62.1177.2000110.7M90 K97 L98 V123 M135 L139 V196 W197M90-L92 HydrophobicContact CB-CG 4.48Å; M90-L92 HydrophobicContact CE-CD2 4.29Å; L92-K97 CarbonylContact C-O 3.59Å; L92-K97 WeakPolarHBondContact CA-O 3.24Å; L92-L98 HydrophobicContact CD2-CD2 3.58Å; L92-L98 HydrophobicContact CD2-CG 4.09Å; L92-V123 HydrophobicContact CD1-CB 4.02Å; L92-V123 HydrophobicContact CD1-CG1 4.28Å; L92-V123 HydrophobicContact CD1-CG2 3.95Å; L92-V123 HydrophobicContact CD2-CB 3.88Å; L92-V123 HydrophobicContact CD2-CG2 4.43Å; L92-M135 HydrophobicContact CD1-SD 4.31Å; L92-L139 HydrophobicContact CB-CD2 4.35Å; L92-L139 HydrophobicContact CD1-CD1 4.17Å; L92-L139 HydrophobicContact CD1-CD2 4.23Å; L92-V196 CarbonylContact O-C 3.53Å; L92-V196 VanDerWaalsContact O-CA 3.31Å; L92-V196 WeakPolarHBondContact O-CA 3.25Å; L92-W197 PolarHBondContact N-O 2.94Å; L92-W197 PolarHBondContact O-N 3.23Å
93T90.8Very high88.7Confident0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-77.8166.4160.658.20000111.2E95 G96 K97 L99 W191 P195T93-E95 PolarHBondContact O-N 2.87Å; T93-E95 WeakPolarHBondContact OG1-CG 3.43Å; T93-G96 WeakPolarHBondContact O-CA 3.45Å; T93-G96 PolarHBondContact O-N 2.67Å; T93-K97 PolarHBondContact N-O 2.81Å; T93-K97 WeakPolarHBondContact OG1-CB 3.07Å; T93-K97 PolarHBondContact OG1-N 2.85Å; T93-L99 HydrophobicContact CG2-CD1 3.63Å; T93-W191 HydrophobicContact CG2-CZ3 3.76Å; T93-P195 CarbonylContact C-O 3.58Å; T93-P195 WeakPolarHBondContact CA-O 3.41Å
94G88.6Confident89.4Confident18 Ų1825.6 Ų25.619%0.18615%0.151CC..THydrogen-bonded Turntrans-57.9-24.9170.900000114.6G96 L139 P195G94-G96 VanDerWaalsContact C-N 3.31Å; G94-L139 WeakPolarHBondContact CA-O 3.26Å; G94-P195 PolarHBondContact N-O 2.84Å
95E89.8Confident90.4Very high77 Ų7721.9 Ų21.936%0.3612%0.12SC..THydrogen-bonded Turntrans-83.2-1.9171.262166164.700113.8T93 K97 Y124 Y190T93-E95 PolarHBondContact O-N 2.87Å; T93-E95 WeakPolarHBondContact OG1-CG 3.43Å; E95-K97 HydrophobicContact CG-CB 4.47Å; E95-K97 HydrophobicContact CG-CG 4.14Å; E95-K97 WeakPolarHBondContact OE1-CD 3.45Å; E95-K97 IonicContact OE1-NZ 2.87Å; E95-K97 PolarHBondContact OE1-NZ 3.4Å; E95-K97 IonicContact OE2-NZ 3.47Å; E95-K97 PolarHBondContact OE2-NZ 2.81Å; E95-Y124 WeakPolarHBondContact O-CE2 3.18Å; E95-Y190 PolarHBondContact OE1-OH 3.47Å
96G92.3Very high91.1Very high0 Ų023.2 Ų23.20%013%0.131CC..  trans89.56177.100000116.1T93 G94 S122 V123T93-G96 WeakPolarHBondContact O-CA 3.45Å; T93-G96 PolarHBondContact O-N 2.67Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G96-S122 PolarHBondContact O-OG 2.87Å; G96-V123 WeakPolarHBondContact O-CG1 3.3Å; G96-V123 PolarHBondContact O-N 2.71Å
97K92.5Very high91.7Very high61 Ų6125.1 Ų25.127%0.26513%0.133SC..BIsolated β-bridgetrans-73.7137.9179-73.4-163.7-179.386.20112.2L92 T93 E95 D121L92-K97 CarbonylContact C-O 3.59Å; L92-K97 WeakPolarHBondContact CA-O 3.24Å; T93-K97 PolarHBondContact N-O 2.81Å; T93-K97 WeakPolarHBondContact OG1-CB 3.07Å; T93-K97 PolarHBondContact OG1-N 2.85Å; E95-K97 HydrophobicContact CG-CB 4.47Å; E95-K97 HydrophobicContact CG-CG 4.14Å; E95-K97 WeakPolarHBondContact OE1-CD 3.45Å; E95-K97 IonicContact OE1-NZ 2.87Å; E95-K97 PolarHBondContact OE1-NZ 3.4Å; E95-K97 IonicContact OE2-NZ 3.47Å; E95-K97 PolarHBondContact OE2-NZ 2.81Å; K97-D121 WeakPolarHBondContact CA-O 3.45Å; K97-D121 WeakPolarHBondContact CD-OD2 3.5Å
98L93.6Very high91.7Very high0 Ų025.7 Ų25.70%014%0.135CC..EExtended strand (participates in β ladder)trans-76.4120.6-177-69.3156.3000112.3R51 M90 L92 D121 I126R51-L98 VanDerWaalsContact CZ-O 3.23Å; R51-L98 PolarHBondContact NH1-O 3.02Å; R51-L98 PolarHBondContact NH2-O 3.11Å; M90-L98 HydrophobicContact CE-CD2 3.62Å; L92-L98 HydrophobicContact CD2-CD2 3.58Å; L92-L98 HydrophobicContact CD2-CG 4.09Å; L98-D121 PolarHBondContact N-O 2.85Å; L98-I126 HydrophobicContact CD1-CD1 3.75Å; L98-I126 HydrophobicContact CD2-CD1 4.37Å
99L92.3Very high91.7Very high1 Ų125.6 Ų25.61%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-96.8-36.4167.5-8959.9000111.3M48 R51 K52 F55 L91 T93 W191 V196M48-L99 WeakPolarHBondContact CG-O 3.45Å; R51-L99 HydrophobicContact CB-CD1 4.44Å; R51-L99 HydrophobicContact CB-CG 4.27Å; K52-L99 WeakPolarHBondContact CB-O 3.47Å; F55-L99 HydrophobicContact CB-CD2 4.11Å; F55-L99 HydrophobicContact CD2-CD2 4.16Å; F55-L99 HydrophobicContact CG-CD2 4.02Å; L91-L99 HydrophobicContact CB-CB 3.9Å; L91-L99 PolarHBondContact O-N 2.75Å; T93-L99 HydrophobicContact CG2-CD1 3.63Å; L99-W191 HydrophobicContact CD1-CH2 3.91Å; L99-W191 HydrophobicContact CD1-CZ3 3.92Å; L99-W191 HydrophobicContact CD2-CH2 3.91Å; L99-W191 HydrophobicContact CD2-CZ3 3.83Å; L99-W191 HydrophobicContact CG-CH2 4.05Å; L99-W191 HydrophobicContact CG-CZ3 4.28Å; L99-V196 HydrophobicContact CD2-CG1 3.94Å; L99-V196 HydrophobicContact CD2-CG2 3.98Å
100Y92.7Very high91.7Very high34 Ų3425.6 Ų25.613%0.13314%0.141CC..EExtended strand (participates in β ladder)trans-154.2152.7178.4-179.5-116.4000111.3K52 M82 L89 M90 L91K52-Y100 HydrophobicContact CD-CD2 4.01Å; K52-Y100 HydrophobicContact CD-CG 4.38Å; M82-Y100 WeakPolarHBondContact CE-OH 3.25Å; L89-Y100 HydrophobicContact CD2-CE1 4.33Å; M90-Y100 CarbonylContact C-O 3.57Å; M90-Y100 WeakPolarHBondContact CA-O 3.39Å; L91-Y100 HydrophobicContact CD1-CD1 4.29Å; L91-Y100 PolarHBondContact N-O 2.79Å; L91-Y100 PolarHBondContact O-N 2.76Å
101L94Very high91.6Very high1 Ų128 Ų281%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-146.6133.4173.5176.359.5000107.2F88 L89 M90 V105 M113 L116 V117 I126F88-L101 HydrophobicContact CD2-CD1 4.02Å; F88-L101 HydrophobicContact CE2-CD1 4.45Å; L89-L101 CarbonylContact O-C 3.6Å; L89-L101 WeakPolarHBondContact O-CA 3.16Å; M90-L101 HydrophobicContact CE-CD1 4.27Å; M90-L101 HydrophobicContact CG-CD1 3.78Å; M90-L101 HydrophobicContact SD-CD1 4.45Å; L101-V105 HydrophobicContact CD1-CB 3.97Å; L101-V105 HydrophobicContact CD1-CG1 4.26Å; L101-V105 HydrophobicContact CD1-CG2 4.03Å; L101-V105 HydrophobicContact CD2-CG1 4.1Å; L101-V105 HydrophobicContact CG-CB 4.31Å; L101-V105 HydrophobicContact CG-CG1 4.04Å; L101-M113 HydrophobicContact CB-CG 3.94Å; L101-M113 HydrophobicContact CD2-CB 4.4Å; L101-M113 HydrophobicContact CD2-CG 4.12Å; L101-M113 HydrophobicContact CG-CB 4.4Å; L101-M113 HydrophobicContact CG-CG 3.96Å; L101-M113 WeakPolarHBondContact O-CG 3.32Å; L101-L116 HydrophobicContact CD2-CB 4.12Å; L101-L116 HydrophobicContact CD2-CD1 3.89Å; L101-V117 HydrophobicContact CD2-CG2 4.44Å; L101-I126 HydrophobicContact CD2-CD1 4.45Å
102S92.4Very high91.6Very high0 Ų028.9 Ų28.90%016%0.159CC..  trans-80.8147.4178.266.30000112.5F88 L89 S104 V105F88-S102 WeakPolarHBondContact CA-OG 3.39Å; F88-S102 WeakPolarHBondContact CB-OG 3.17Å; L89-S102 PolarHBondContact N-OG 2.88Å; L89-S102 PolarHBondContact O-N 3.43Å; S102-S104 PolarHBondContact O-N 3.24Å; S102-S104 VanDerWaalsContact O-N 3.16Å; S102-S104 PolarHBondContact OG-OG 2.84Å; S102-V105 WeakPolarHBondContact O-CB 3.3Å; S102-V105 WeakPolarHBondContact O-CG1 3.5Å; S102-V105 PolarHBondContact O-N 3.4Å
103D90.3Very high91.6Very high94 Ų9429.1 Ų29.150%0.50316%0.16SC..THydrogen-bonded Turntrans-64.2-21.8-179-59.9-56.9000113.1V105 S106 M113D103-V105 PolarHBondContact O-N 2.6Å; D103-V105 VanDerWaalsContact O-N 3.11Å; D103-S106 WeakPolarHBondContact O-CB 3.37Å; D103-S106 PolarHBondContact O-N 2.98Å; D103-S106 PolarHBondContact O-OG 2.73Å; D103-M113 WeakPolarHBondContact OD1-CB 3.32Å; D103-M113 VanDerWaalsContact OD1-CE 3.23Å; D103-M113 WeakPolarHBondContact OD1-CE 3.42Å
104S90.3Very high91.7Very high25 Ų2529.4 Ų29.418%0.17516%0.162CC..THydrogen-bonded Turntrans-60.8-13.3171.565.30000114G87 F88 S102 S106 E107 H108G87-S104 WeakPolarHBondContact O-CB 3.14Å; G87-S104 PolarHBondContact O-OG 3.27Å; F88-S104 WeakPolarHBondContact CA-OG 3.43Å; F88-S104 WeakPolarHBondContact CB-OG 3.49Å; S102-S104 PolarHBondContact O-N 3.24Å; S102-S104 VanDerWaalsContact O-N 3.16Å; S102-S104 PolarHBondContact OG-OG 2.84Å; S104-S106 PolarHBondContact O-N 3.48Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S104-E107 PolarHBondContact O-N 3.04Å; S104-H108 PolarHBondContact O-ND1 3.32Å
105V92.8Very high91.9Very high1 Ų131.4 Ų31.41%0.00617%0.168CC..Hα-helixtrans-55.3-29.1167.673.50000112F88 L101 S102 D103 H108 L109 M113 L116F88-V105 HydrophobicContact CB-CB 4.22Å; F88-V105 HydrophobicContact CD2-CB 4.07Å; F88-V105 HydrophobicContact CD2-CG2 3.85Å; F88-V105 HydrophobicContact CE2-CG2 3.94Å; F88-V105 HydrophobicContact CG-CB 4.14Å; F88-V105 HydrophobicContact CG-CG2 4.19Å; F88-V105 HydrophobicContact CZ-CG2 4.37Å; L101-V105 HydrophobicContact CD1-CB 3.97Å; L101-V105 HydrophobicContact CD1-CG1 4.26Å; L101-V105 HydrophobicContact CD1-CG2 4.03Å; L101-V105 HydrophobicContact CD2-CG1 4.1Å; L101-V105 HydrophobicContact CG-CB 4.31Å; L101-V105 HydrophobicContact CG-CG1 4.04Å; S102-V105 WeakPolarHBondContact O-CB 3.3Å; S102-V105 WeakPolarHBondContact O-CG1 3.5Å; S102-V105 PolarHBondContact O-N 3.4Å; D103-V105 PolarHBondContact O-N 2.6Å; D103-V105 VanDerWaalsContact O-N 3.11Å; V105-H108 PolarHBondContact O-N 3.27Å; V105-L109 HydrophobicContact CG2-CB 4.39Å; V105-L109 HydrophobicContact CG2-CD1 3.6Å; V105-L109 HydrophobicContact CG2-CG 3.93Å; V105-L109 PolarHBondContact O-N 2.97Å; V105-M113 HydrophobicContact CG1-CB 4.06Å; V105-L116 HydrophobicContact CG1-CD1 4.13Å; V105-L116 HydrophobicContact CG2-CD1 3.78Å
106S91.8Very high92.1Very high50 Ų5028.3 Ų28.335%0.3515%0.154SC..Hα-helixtrans-68.8-36.2-178.164.60000113.9D103 S104 H108 G110 H111D103-S106 WeakPolarHBondContact O-CB 3.37Å; D103-S106 PolarHBondContact O-N 2.98Å; D103-S106 PolarHBondContact O-OG 2.73Å; S104-S106 PolarHBondContact O-N 3.48Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S106-H108 VanDerWaalsContact C-N 3.29Å; S106-G110 WeakPolarHBondContact O-CA 3.45Å; S106-G110 PolarHBondContact O-N 3.29Å; S106-H111 WeakPolarHBondContact CA-O 3.46Å; S106-H111 WeakPolarHBondContact CB-O 3.45Å
107E89.3Confident92Very high124 Ų12428.3 Ų28.358%0.57915%0.154SC*.Hα-helixtrans-70.9-30175.3-56.2-157.8129.900111.7S104 R210S104-E107 PolarHBondContact O-N 3.04Å; E107-R210 IonicContact OE1-NH2 3.61Å
108H88.9Confident91.8Very high13 Ų1326.1 Ų26.16%0.0615%0.148CC..Hα-helixtrans-89.6-50.3-174-65.1103.6000112.9G87 F88 S104 V105 S106 K169 P203 Q207G87-H108 PolarHBondContact O-CE1 2.68Å; G87-H108 VanDerWaalsContact O-CE1 3.26Å; G87-H108 PolarHBondContact O-ND1 3.41Å; F88-H108 HydrophobicContact CD1-CB 4.04Å; F88-H108 HydrophobicContact CE1-CB 4.27Å; S104-H108 PolarHBondContact O-ND1 3.32Å; V105-H108 PolarHBondContact O-N 3.27Å; S106-H108 VanDerWaalsContact C-N 3.29Å; H108-K169 WeakPolarHBondContact O-CD 3.28Å; H108-K169 WeakPolarHBondContact O-CE 3.42Å; H108-K169 PolarHBondContact O-NZ 2.87Å; H108-P203 HydrophobicContact CB-CG 3.95Å; H108-Q207 PolarHBondContact CD2-NE2 3.14Å; H108-Q207 PolarHBondContact NE2-NE2 2.96Å
109L92.1Very high91.4Very high0 Ų032.2 Ų32.20%018%0.176CC..Hα-helixtrans-98.5-15.1-177.4-54.6-173.8000113.8F88 V105 H111 I126 F155 S158 K169F88-L109 HydrophobicContact CE1-CD2 4.46Å; F88-L109 HydrophobicContact CE1-CG 4.4Å; F88-L109 HydrophobicContact CZ-CD1 4.09Å; F88-L109 HydrophobicContact CZ-CG 4.34Å; V105-L109 HydrophobicContact CG2-CB 4.39Å; V105-L109 HydrophobicContact CG2-CD1 3.6Å; V105-L109 HydrophobicContact CG2-CG 3.93Å; V105-L109 PolarHBondContact O-N 2.97Å; L109-H111 VanDerWaalsContact C-N 3.31Å; L109-I126 HydrophobicContact CD1-CG2 4.22Å; L109-F155 HydrophobicContact CD1-CB 3.87Å; L109-F155 HydrophobicContact CD1-CD1 3.72Å; L109-F155 HydrophobicContact CD1-CG 4.16Å; L109-F155 HydrophobicContact CD2-CB 3.57Å; L109-F155 HydrophobicContact CD2-CG 4.3Å; L109-F155 HydrophobicContact CG-CB 4.4Å; L109-S158 PolarHBondContact O-N 3.07Å; L109-K169 HydrophobicContact CD2-CB 4.17Å; L109-K169 HydrophobicContact CD2-CD 4.47Å
110G91.3Very high91.2Very high26 Ų2632.7 Ų32.727%0.26818%0.181SC..SBendtrans76.512.7-178.800000115.2S106 S158S106-G110 WeakPolarHBondContact O-CA 3.45Å; S106-G110 PolarHBondContact O-N 3.29Å; G110-S158 VanDerWaalsContact C-CB 3.49Å; G110-S158 VanDerWaalsContact C-OG 3.31Å; G110-S158 WeakPolarHBondContact CA-OG 3.27Å; G110-S158 WeakPolarHBondContact O-CB 3.08Å; G110-S158 PolarHBondContact O-OG 3.05Å
111H91.5Very high91Very high52 Ų5234 Ų3424%0.24119%0.191CC..SBendtrans-113.3138.1171.8-69.8-82.6000109S106 L109 L116 S158S106-H111 WeakPolarHBondContact CA-O 3.46Å; S106-H111 WeakPolarHBondContact CB-O 3.45Å; L109-H111 VanDerWaalsContact C-N 3.31Å; H111-L116 HydrophobicContact CB-CD1 4.01Å; H111-L116 HydrophobicContact CB-CD2 3.67Å; H111-L116 HydrophobicContact CB-CG 3.66Å; H111-S158 PolarHBondContact CD2-N 2.7Å
112S93.2Very high91Very high28 Ų2834.8 Ų34.820%0.19620%0.196CC..  trans-68151.9172.376.70000111V114 D115 L116S112-V114 PolarHBondContact O-N 3.25Å; S112-D115 WeakPolarHBondContact CB-OD2 3.3Å; S112-D115 PolarHBondContact N-OD2 2.98Å; S112-D115 PolarHBondContact O-N 2.83Å; S112-D115 PolarHBondContact OG-N 3.26Å; S112-D115 PolarHBondContact OG-OD2 3.44Å; S112-L116 PolarHBondContact O-N 3.47Å
113M93.5Very high91.2Very high7 Ų734.8 Ų34.83%0.03420%0.196CC..Hα-helixtrans-51.5-43171.4173.2-79.1-6900110.7I29 L45 M48 L101 D103 V105 D115 L116 V117I29-M113 HydrophobicContact CG2-CE 4.31Å; L45-M113 HydrophobicContact CD2-SD 4.48Å; M48-M113 HydrophobicContact CE-SD 4.03Å; L101-M113 HydrophobicContact CB-CG 3.94Å; L101-M113 HydrophobicContact CD2-CB 4.4Å; L101-M113 HydrophobicContact CD2-CG 4.12Å; L101-M113 HydrophobicContact CG-CB 4.4Å; L101-M113 HydrophobicContact CG-CG 3.96Å; L101-M113 WeakPolarHBondContact O-CG 3.32Å; D103-M113 WeakPolarHBondContact OD1-CB 3.32Å; D103-M113 VanDerWaalsContact OD1-CE 3.23Å; D103-M113 WeakPolarHBondContact OD1-CE 3.42Å; V105-M113 HydrophobicContact CG1-CB 4.06Å; M113-D115 PolarHBondContact O-N 2.91Å; M113-L116 PolarHBondContact O-N 3.3Å; M113-V117 WeakPolarHBondContact O-CG2 3.47Å; M113-V117 PolarHBondContact O-N 3.08Å; M113-V117 HydrophobicContact SD-CG2 4.21Å
114V93.6Very high91.4Very high5 Ų532 Ų323%0.0318%0.179CC..Hα-helixtrans-58.1-46.4175.5169.80000112.1I29 D33 L37 L45 S112 A118I29-V114 HydrophobicContact CB-CG2 4.47Å; I29-V114 HydrophobicContact CD1-CG2 4.45Å; I29-V114 HydrophobicContact CG2-CG2 4.09Å; D33-V114 HydrophobicContact CB-CG1 4.44Å; D33-V114 HydrophobicContact CB-CG2 4.32Å; L37-V114 HydrophobicContact CD2-CG1 3.6Å; L45-V114 HydrophobicContact CD1-CG1 4.29Å; S112-V114 PolarHBondContact O-N 3.25Å; V114-A118 WeakPolarHBondContact O-CB 3.27Å; V114-A118 PolarHBondContact O-N 2.73Å
115D92.4Very high91.6Very high61 Ų6135.2 Ų35.233%0.32619%0.194SC..Hα-helixtrans-68.4-36-179.8-62.5-51.8000112.1S112 M113 Q119S112-D115 WeakPolarHBondContact CB-OD2 3.3Å; S112-D115 PolarHBondContact N-OD2 2.98Å; S112-D115 PolarHBondContact O-N 2.83Å; S112-D115 PolarHBondContact OG-N 3.26Å; S112-D115 PolarHBondContact OG-OD2 3.44Å; M113-D115 PolarHBondContact O-N 2.91Å; D115-Q119 WeakPolarHBondContact O-CG 3.49Å; D115-Q119 PolarHBondContact O-N 2.99Å; D115-Q119 PolarHBondContact O-NE2 3.03Å
116L92.9Very high91.7Very high11 Ų1135.4 Ų35.46%0.05820%0.195CC..Hα-helixtrans-67.5-51.9178-68.9174.5000111.1L101 V105 H111 S112 M113 A118 Q119 G120 I126L101-L116 HydrophobicContact CD2-CB 4.12Å; L101-L116 HydrophobicContact CD2-CD1 3.89Å; V105-L116 HydrophobicContact CG1-CD1 4.13Å; V105-L116 HydrophobicContact CG2-CD1 3.78Å; H111-L116 HydrophobicContact CB-CD1 4.01Å; H111-L116 HydrophobicContact CB-CD2 3.67Å; H111-L116 HydrophobicContact CB-CG 3.66Å; S112-L116 PolarHBondContact O-N 3.47Å; M113-L116 PolarHBondContact O-N 3.3Å; L116-A118 PolarHBondContact O-N 3.5Å; L116-Q119 PolarHBondContact O-N 2.76Å; L116-G120 PolarHBondContact O-N 3.45Å; L116-I126 HydrophobicContact CB-CD1 4.07Å; L116-I126 HydrophobicContact CD1-CD1 4.42Å; L116-I126 HydrophobicContact CD1-CG2 4.23Å; L116-I126 HydrophobicContact CD2-CG1 4.39Å; L116-I126 HydrophobicContact CD2-CG2 4.13Å
117V91Very high91.9Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-67.7-23.3178.4179.50000112S44 L45 M48 L101 M113 G120S44-V117 WeakPolarHBondContact CB-O 3.34Å; S44-V117 PolarHBondContact OG-O 3.45Å; L45-V117 HydrophobicContact CD2-CB 4.02Å; L45-V117 HydrophobicContact CD2-CG1 3.78Å; L45-V117 HydrophobicContact CG-CG1 4.35Å; M48-V117 HydrophobicContact CB-CG1 4.07Å; M48-V117 HydrophobicContact CE-CG1 4.09Å; M48-V117 HydrophobicContact CE-CG2 4.09Å; M48-V117 HydrophobicContact SD-CB 4.38Å; M48-V117 HydrophobicContact SD-CG1 3.82Å; M48-V117 HydrophobicContact SD-CG2 3.61Å; L101-V117 HydrophobicContact CD2-CG2 4.44Å; M113-V117 WeakPolarHBondContact O-CG2 3.47Å; M113-V117 PolarHBondContact O-N 3.08Å; M113-V117 HydrophobicContact SD-CG2 4.21Å; V117-G120 WeakPolarHBondContact CA-O 3.47Å
118A87.6Confident92.1Very high16 Ų1628.5 Ų28.513%0.13216%0.158CC..Hα-helixtrans-73.5-27.1171.300000114H41 V114 L116H41-A118 HydrophobicContact CB-CB 3.74Å; H41-A118 VanDerWaalsContact CG-CB 3.49Å; V114-A118 WeakPolarHBondContact O-CB 3.27Å; V114-A118 PolarHBondContact O-N 2.73Å; L116-A118 PolarHBondContact O-N 3.5Å
119Q86.6Confident92.4Very high128 Ų12833.3 Ų33.360%0.59819%0.189SC*.Hα-helixtrans-85.3-38.2179.9-78167.396.200112.4D115 L116D115-Q119 WeakPolarHBondContact O-CG 3.49Å; D115-Q119 PolarHBondContact O-N 2.99Å; D115-Q119 PolarHBondContact O-NE2 3.03Å; L116-Q119 PolarHBondContact O-N 2.76Å
120G87.2Confident92.4Very high11 Ų1136.2 Ų36.211%0.11321%0.212CC..  trans-156.6157.5-179.900000112.5L116 V117 D125L116-G120 PolarHBondContact O-N 3.45Å; V117-G120 WeakPolarHBondContact CA-O 3.47Å; G120-D125 WeakPolarHBondContact CA-OD2 3.45Å
121D89.1Confident92.6Very high61 Ų6135.1 Ų35.133%0.32620%0.2SC..SBendtrans-99.56.8177.495.2-57000113R51 K97 L98R51-D121 IonicContact CZ-OD2 3.39Å; R51-D121 IonicContact NH1-OD2 3.63Å; R51-D121 PolarHBondContact NH1-OD2 3.45Å; R51-D121 IonicContact NH2-OD2 2.98Å; K97-D121 WeakPolarHBondContact CA-O 3.45Å; K97-D121 WeakPolarHBondContact CD-OD2 3.5Å; L98-D121 PolarHBondContact N-O 2.85Å
122S93.6Very high92.8Very high18 Ų1834.4 Ų34.413%0.12620%0.197CC..BIsolated β-bridgetrans-126.2149.7-173-165.20000112.9G96 Y124 D125G96-S122 PolarHBondContact O-OG 2.87Å; S122-Y124 PolarHBondContact O-N 2.82Å; S122-Y124 WeakPolarHBondContact OG-CD2 3.48Å; S122-D125 WeakPolarHBondContact CB-OD2 3.28Å; S122-D125 PolarHBondContact N-OD2 3.06Å; S122-D125 PolarHBondContact O-N 3.27Å
123V95.8Very high92.8Very high0 Ų040.2 Ų40.20%022%0.219CC..G310 helixtrans-61-31.2174.668.70000112.2M90 L92 G96 D125 I126 I127 M135 L139M90-V123 HydrophobicContact CE-CG2 4.07Å; L92-V123 HydrophobicContact CD1-CB 4.02Å; L92-V123 HydrophobicContact CD1-CG1 4.28Å; L92-V123 HydrophobicContact CD1-CG2 3.95Å; L92-V123 HydrophobicContact CD2-CB 3.88Å; L92-V123 HydrophobicContact CD2-CG2 4.43Å; G96-V123 WeakPolarHBondContact O-CG1 3.3Å; G96-V123 PolarHBondContact O-N 2.71Å; V123-D125 PolarHBondContact O-N 2.82Å; V123-I126 WeakPolarHBondContact O-CA 3.08Å; V123-I126 PolarHBondContact O-N 3.3Å; V123-I127 HydrophobicContact CG2-CG2 4.07Å; V123-I127 WeakPolarHBondContact O-CG1 3.45Å; V123-I127 PolarHBondContact O-N 2.69Å; V123-M135 HydrophobicContact CG1-CG 3.83Å; V123-M135 HydrophobicContact CG1-SD 4.29Å; V123-M135 HydrophobicContact CG2-CE 3.73Å; V123-M135 HydrophobicContact CG2-SD 4.26Å; V123-L139 HydrophobicContact CG1-CD1 4.37Å
124Y96.1Very high92.8Very high36 Ų3641.7 Ų41.714%0.14123%0.227CC..G310 helixtrans-68.2-10.4-179.9-55.9-65.1000113.9E95 S122 I127 H132 M135 R136E95-Y124 WeakPolarHBondContact O-CE2 3.18Å; S122-Y124 PolarHBondContact O-N 2.82Å; S122-Y124 WeakPolarHBondContact OG-CD2 3.48Å; Y124-I127 HydrophobicContact CD1-CD1 4.13Å; Y124-H132 HydrophobicContact CD1-CB 4.1Å; Y124-H132 AromaticContact CD1-CD2 3.85Å; Y124-H132 AromaticContact CD1-CG 3.75Å; Y124-H132 HydrophobicContact CE1-CB 4.41Å; Y124-H132 PolarHBondContact O-CE1 3.02Å; Y124-H132 PolarHBondContact O-NE2 3.16Å; Y124-H132 VanDerWaalsContact O-NE2 3.08Å; Y124-M135 HydrophobicContact CE1-CB 4.1Å; Y124-M135 HydrophobicContact CE1-CG 3.92Å; Y124-R136 HydrophobicContact CE1-CB 4.43Å; Y124-R136 WeakPolarHBondContact OH-CA 3.39Å; Y124-R136 WeakPolarHBondContact OH-CB 3.18Å
125D93.9Very high92.9Very high91 Ų9141.5 Ų41.549%0.48723%0.226SC..G310 helixtrans-85.8-18.3170.2-54.5-55.8000111.6G120 S122 V123G120-D125 WeakPolarHBondContact CA-OD2 3.45Å; S122-D125 WeakPolarHBondContact CB-OD2 3.28Å; S122-D125 PolarHBondContact N-OD2 3.06Å; S122-D125 PolarHBondContact O-N 3.27Å; V123-D125 PolarHBondContact O-N 2.82Å
126I94.4Very high92.9Very high5 Ų544.4 Ų44.43%0.02623%0.232CC..THydrogen-bonded Turntrans-103.5-32-173.9-48.3-179.1000111.8M90 L98 L101 L109 L116 V123 F155 N156M90-I126 HydrophobicContact CE-CD1 4.5Å; L98-I126 HydrophobicContact CD1-CD1 3.75Å; L98-I126 HydrophobicContact CD2-CD1 4.37Å; L101-I126 HydrophobicContact CD2-CD1 4.45Å; L109-I126 HydrophobicContact CD1-CG2 4.22Å; L116-I126 HydrophobicContact CB-CD1 4.07Å; L116-I126 HydrophobicContact CD1-CD1 4.42Å; L116-I126 HydrophobicContact CD1-CG2 4.23Å; L116-I126 HydrophobicContact CD2-CG1 4.39Å; L116-I126 HydrophobicContact CD2-CG2 4.13Å; V123-I126 WeakPolarHBondContact O-CA 3.08Å; V123-I126 PolarHBondContact O-N 3.3Å; I126-F155 HydrophobicContact CG2-CD1 3.88Å; I126-F155 HydrophobicContact CG2-CE1 4.39Å; I126-N156 VanDerWaalsContact O-CB 3.32Å; I126-N156 WeakPolarHBondContact O-CB 3.31Å; I126-N156 PolarHBondContact O-N 3.11Å; I126-N156 PolarHBondContact O-ND2 3.26Å
127I95.6Very high92.9Very high1 Ų147 Ų471%0.00525%0.249CC..BIsolated β-bridgetrans-89.1166178.762.1162.6000113.7V123 Y124 M135 R154 F155 N156V123-I127 HydrophobicContact CG2-CG2 4.07Å; V123-I127 WeakPolarHBondContact O-CG1 3.45Å; V123-I127 PolarHBondContact O-N 2.69Å; Y124-I127 HydrophobicContact CD1-CD1 4.13Å; I127-M135 HydrophobicContact CD1-CB 3.55Å; I127-M135 HydrophobicContact CD1-CE 4.15Å; I127-M135 HydrophobicContact CD1-CG 3.88Å; I127-M135 HydrophobicContact CG2-CE 4.13Å; I127-R154 CarbonylContact C-O 3.58Å; I127-R154 WeakPolarHBondContact CA-O 3.33Å; I127-R154 WeakPolarHBondContact CB-O 3.41Å; I127-F155 HydrophobicContact CG2-CD1 3.9Å; I127-F155 HydrophobicContact CG2-CD2 4.12Å; I127-F155 HydrophobicContact CG2-CE1 3.72Å; I127-F155 HydrophobicContact CG2-CE2 3.96Å; I127-F155 HydrophobicContact CG2-CG 4.1Å; I127-F155 HydrophobicContact CG2-CZ 3.76Å; I127-N156 PolarHBondContact O-ND2 3.35Å
128D94.1Very high92.9Very high29 Ų2948.1 Ų48.116%0.15525%0.254CS..  trans-68.7137.7174.1-165.4-63.3000111.1A130 D131 H132 R154 N168D128-A130 PolarHBondContact O-N 2.83Å; D128-A130 VanDerWaalsContact O-N 3.16Å; D128-A130 WeakPolarHBondContact OD1-CB 3.35Å; D128-A130 PolarHBondContact OD1-N 2.94Å; D128-D131 PolarHBondContact O-N 3.46Å; D128-H132 PolarHBondContact O-CD2 2.86Å; D128-H132 PolarHBondContact O-N 3.04Å; D128-R154 HydrophobicContact CB-CB 3.67Å; D128-R154 PolarHBondContact N-O 3.47Å; D128-N168 PolarHBondContact OD2-ND2 2.57Å
129T94.5Very high93Very high114 Ų11447.3 Ų47.370%0.69925%0.248SC*.G310 helixtrans-61.9-25.7-176.754.20000113.4D131T129-D131 VanDerWaalsContact C-N 3.3Å; T129-D131 PolarHBondContact O-N 3.16Å
130A92.9Very high92.9Very high60 Ų6043.2 Ų43.250%0.49623%0.233SC..G310 helixtrans-65.6-32.4173.400000112.7D128D128-A130 PolarHBondContact O-N 2.83Å; D128-A130 VanDerWaalsContact O-N 3.16Å; D128-A130 WeakPolarHBondContact OD1-CB 3.35Å; D128-A130 PolarHBondContact OD1-N 2.94Å
131D95.3Very high91.8Very high3 Ų346.1 Ų46.12%0.01626%0.256CS..G310 helixtrans-94.50.8-173.9-61.9-17.4000112.8D128 T129 F133 I134 M135 C153 R154D128-D131 PolarHBondContact O-N 3.46Å; T129-D131 VanDerWaalsContact C-N 3.3Å; T129-D131 PolarHBondContact O-N 3.16Å; D131-F133 PolarHBondContact O-N 2.97Å; D131-F133 VanDerWaalsContact O-N 3.16Å; D131-I134 HydrophobicContact CB-CD1 4.35Å; D131-I134 WeakPolarHBondContact O-CB 3.36Å; D131-I134 PolarHBondContact O-N 2.84Å; D131-M135 PolarHBondContact O-N 3.41Å; D131-C153 HydrophobicContact CB-CB 4.25Å; D131-R154 IonicContact OD1-CZ 3.94Å; D131-R154 IonicContact OD1-NE 2.79Å; D131-R154 PolarHBondContact OD1-NE 2.73Å; D131-R154 IonicContact OD1-NH2 2.82Å; D131-R154 PolarHBondContact OD1-NH2 3.27Å; D131-R154 VanDerWaalsContact OD2-CB 3.31Å; D131-R154 WeakPolarHBondContact OD2-CB 3.48Å; D131-R154 WeakPolarHBondContact OD2-CG 3.44Å; D131-R154 IonicContact OD2-CZ 2.62Å; D131-R154 PolarHBondContact OD2-N 2.87Å; D131-R154 IonicContact OD2-NE 3.64Å; D131-R154 PolarHBondContact OD2-NE 2.86Å; D131-R154 IonicContact OD2-NH2 3.27Å
132H95.4Very high90.3Very high38 Ų3848.2 Ų48.218%0.17628%0.276CS..Hα-helixtrans-55.3-32.6175.8-76.3-162.1000113.3Y124 D128 R136Y124-H132 HydrophobicContact CD1-CB 4.1Å; Y124-H132 AromaticContact CD1-CD2 3.85Å; Y124-H132 AromaticContact CD1-CG 3.75Å; Y124-H132 HydrophobicContact CE1-CB 4.41Å; Y124-H132 PolarHBondContact O-CE1 3.02Å; Y124-H132 PolarHBondContact O-NE2 3.16Å; Y124-H132 VanDerWaalsContact O-NE2 3.08Å; D128-H132 PolarHBondContact O-CD2 2.86Å; D128-H132 PolarHBondContact O-N 3.04Å; H132-R136 VanDerWaalsContact O-CB 3.3Å; H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 2.88Å; H132-R136 VanDerWaalsContact O-N 3.15Å; H132-R136 PolarHBondContact O-NH1 3.48Å
133F93.9Very high88.4Confident150 Ų15049.5 Ų49.566%0.65829%0.285SS*.Hα-helixtrans-72-40.5175.6-178.9-96.9000112.2D131 R136 T137D131-F133 PolarHBondContact O-N 2.97Å; D131-F133 VanDerWaalsContact O-N 3.16Å; F133-R136 PolarHBondContact O-N 3.05Å; F133-T137 WeakPolarHBondContact O-CB 3.17Å; F133-T137 PolarHBondContact O-N 2.84Å; F133-T137 PolarHBondContact O-OG1 2.85Å
134I93.9Very high86.3Confident37 Ų3755.4 Ų55.419%0.1933%0.326CS..Hα-helixtrans-64.4-49.7179.5-54177.7000109.5D131 T137 N138 F151D131-I134 HydrophobicContact CB-CD1 4.35Å; D131-I134 WeakPolarHBondContact O-CB 3.36Å; D131-I134 PolarHBondContact O-N 2.84Å; I134-T137 PolarHBondContact O-N 2.73Å; I134-N138 PolarHBondContact O-N 2.91Å; I134-N138 VanDerWaalsContact O-N 3.1Å; I134-N138 PolarHBondContact O-ND2 2.88Å; I134-F151 HydrophobicContact CG2-CB 4.34Å; I134-F151 HydrophobicContact CG2-CD2 3.95Å
135M94.9Very high84.4Confident2 Ų261.8 Ų61.81%0.0136%0.361CS..Hα-helixtrans-57.9-50.9176.2-179.464.470.800111.7L92 V123 Y124 I127 D131 T137 N138 L139 F151 I173L92-M135 HydrophobicContact CD1-SD 4.31Å; V123-M135 HydrophobicContact CG1-CG 3.83Å; V123-M135 HydrophobicContact CG1-SD 4.29Å; V123-M135 HydrophobicContact CG2-CE 3.73Å; V123-M135 HydrophobicContact CG2-SD 4.26Å; Y124-M135 HydrophobicContact CE1-CB 4.1Å; Y124-M135 HydrophobicContact CE1-CG 3.92Å; I127-M135 HydrophobicContact CD1-CB 3.55Å; I127-M135 HydrophobicContact CD1-CE 4.15Å; I127-M135 HydrophobicContact CD1-CG 3.88Å; I127-M135 HydrophobicContact CG2-CE 4.13Å; D131-M135 PolarHBondContact O-N 3.41Å; M135-T137 VanDerWaalsContact C-N 3.34Å; M135-T137 PolarHBondContact O-N 3.46Å; M135-N138 PolarHBondContact O-N 3.01Å; M135-L139 HydrophobicContact CG-CD1 3.84Å; M135-L139 HydrophobicContact CG-CG 4.37Å; M135-L139 WeakPolarHBondContact O-CG 3.47Å; M135-L139 PolarHBondContact O-N 2.98Å; M135-L139 HydrophobicContact SD-CD1 3.72Å; M135-L139 HydrophobicContact SD-CD2 4.42Å; M135-L139 HydrophobicContact SD-CG 3.94Å; M135-F151 HydrophobicContact CE-CE2 4.09Å; M135-F151 HydrophobicContact CE-CZ 4.46Å; M135-F151 HydrophobicContact SD-CE2 4.06Å; M135-F151 HydrophobicContact SD-CZ 4.07Å; M135-I173 HydrophobicContact CE-CD1 3.61Å
136R93.3Very high83.1Confident122 Ų12260.9 Ų60.946%0.4635%0.354SS..Hα-helixtrans-62.5-39.5-178.8-171177.6-63.494.36.7113Y124 H132 F133 S140Y124-R136 HydrophobicContact CE1-CB 4.43Å; Y124-R136 WeakPolarHBondContact OH-CA 3.39Å; Y124-R136 WeakPolarHBondContact OH-CB 3.18Å; H132-R136 VanDerWaalsContact O-CB 3.3Å; H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 2.88Å; H132-R136 VanDerWaalsContact O-N 3.15Å; H132-R136 PolarHBondContact O-NH1 3.48Å; F133-R136 PolarHBondContact O-N 3.05Å; R136-S140 PolarHBondContact O-N 3.3Å
137T91.4Very high82.3Confident66 Ų6664.4 Ų64.441%0.40537%0.371SS..Hα-helixtrans-63.2-44.7177.8-57.80000110.4F133 I134 M135 S140F133-T137 WeakPolarHBondContact O-CB 3.17Å; F133-T137 PolarHBondContact O-N 2.84Å; F133-T137 PolarHBondContact O-OG1 2.85Å; I134-T137 PolarHBondContact O-N 2.73Å; M135-T137 VanDerWaalsContact C-N 3.34Å; M135-T137 PolarHBondContact O-N 3.46Å; T137-S140 PolarHBondContact O-N 3.44Å; T137-S140 PolarHBondContact O-OG 2.81Å
138N91.5Very high81.8Confident22 Ų2265.9 Ų65.912%0.11838%0.379CS..Hα-helixtrans-70.4-38.3179.4-77.9-82.6000113.3I134 M135 S140 R149 F151 W197I134-N138 PolarHBondContact O-N 2.91Å; I134-N138 VanDerWaalsContact O-N 3.1Å; I134-N138 PolarHBondContact O-ND2 2.88Å; M135-N138 PolarHBondContact O-N 3.01Å; N138-S140 PolarHBondContact O-N 3.01Å; N138-R149 VanDerWaalsContact O-CD 3.26Å; N138-R149 WeakPolarHBondContact O-CD 3.39Å; N138-R149 PolarHBondContact O-NE 3.43Å; N138-R149 WeakPolarHBondContact OD1-CD 3.31Å; N138-F151 HydrophobicContact CB-CD1 3.7Å; N138-F151 HydrophobicContact CB-CD2 4.38Å; N138-F151 HydrophobicContact CB-CE1 3.44Å; N138-F151 VanDerWaalsContact CB-CE1 3.44Å; N138-F151 HydrophobicContact CB-CE2 4.14Å; N138-F151 HydrophobicContact CB-CG 4.17Å; N138-F151 HydrophobicContact CB-CZ 3.68Å; N138-F151 WeakPolarHBondContact ND2-CG 3.48Å; N138-F151 VanDerWaalsContact OD1-CD1 3.3Å; N138-F151 WeakPolarHBondContact OD1-CD1 3.13Å; N138-W197 WeakPolarHBondContact O-CH2 3.4Å; N138-W197 WeakPolarHBondContact O-CZ2 3.38Å
139L89.8Confident81.5Confident0 Ų065.5 Ų65.50%038%0.376CS..Hα-helixtrans-71.7-9.4175.4-64.6178.6000113.8L92 G94 V123 M135 W197L92-L139 HydrophobicContact CB-CD2 4.35Å; L92-L139 HydrophobicContact CD1-CD1 4.17Å; L92-L139 HydrophobicContact CD1-CD2 4.23Å; G94-L139 WeakPolarHBondContact CA-O 3.26Å; V123-L139 HydrophobicContact CG1-CD1 4.37Å; M135-L139 HydrophobicContact CG-CD1 3.84Å; M135-L139 HydrophobicContact CG-CG 4.37Å; M135-L139 WeakPolarHBondContact O-CG 3.47Å; M135-L139 PolarHBondContact O-N 2.98Å; M135-L139 HydrophobicContact SD-CD1 3.72Å; M135-L139 HydrophobicContact SD-CD2 4.42Å; M135-L139 HydrophobicContact SD-CG 3.94Å; L139-W197 HydrophobicContact CD2-CB 3.84Å; L139-W197 HydrophobicContact CD2-CD2 4.16Å; L139-W197 HydrophobicContact CD2-CG 3.58Å; L139-W197 PolarHBondContact O-NE1 2.74Å
140S83.6Confident81.5Confident42 Ų4260 Ų6029%0.29434%0.342SS..  trans-78.6134.117777.30000112.6R136 T137 N138 S142 R149R136-S140 PolarHBondContact O-N 3.3Å; T137-S140 PolarHBondContact O-N 3.44Å; T137-S140 PolarHBondContact O-OG 2.81Å; N138-S140 PolarHBondContact O-N 3.01Å; S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.07Å; S140-S142 PolarHBondContact OG-OG 3.32Å; S140-R149 PolarHBondContact O-NH2 2.88Å
141A65.8Low81.6Confident71 Ų7157.4 Ų57.459%0.58732%0.32SS*.  trans-89.639.9-179.100000112.9S143 P195A141-S143 PolarHBondContact O-N 3.46Å; A141-P195 HydrophobicContact CB-CB 4.47Å; A141-P195 HydrophobicContact CB-CG 4.01Å
142S56.6Low81.5Confident106 Ų10657.5 Ų57.574%0.74132%0.32SS*.  trans-87.46-175.162.20000115S140S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.07Å; S140-S142 PolarHBondContact OG-OG 3.32Å
143S54.7Low81.5Confident45 Ų4555.7 Ų55.732%0.31531%0.311SS..  trans-130.896.3-176.158.70000110.7A141 L145 R149A141-S143 PolarHBondContact O-N 3.46Å; S143-L145 PolarHBondContact O-N 2.88Å; S143-R149 PolarHBondContact OG-NH1 3.2Å; S143-R149 VanDerWaalsContact OG-NH1 3.09Å; S143-R149 PolarHBondContact OG-NH2 2.73Å
144S51.9Low81.5Confident123 Ų12352.5 Ų52.586%0.8630%0.295SS*.THydrogen-bonded Turntrans-77.633-163.665.40000116.5
145L55.4Low81.6Confident170 Ų17050.7 Ų50.789%0.8929%0.286SS*.THydrogen-bonded Turntrans-145.4-34.5178.5-73.5177.1000113.5S143S143-L145 PolarHBondContact O-N 2.88Å
146E65.3Low81.5Confident73 Ų7353 Ų5334%0.34130%0.298SS..  trans-101.1103-175-152.5176.5-152.400110.5S335E146-S335 WeakPolarHBondContact OE1-CB 3.23Å; E146-S335 PolarHBondContact OE1-OG 3.29Å
147M78.3Confident81.5Confident78 Ų7847.5 Ų47.538%0.38428%0.278SS..  trans-88.8-21-178.1-63.9-68.6-83.600113R176 C177 A179 W197M147-R176 CarbonylContact O-C 3.43Å; M147-R176 WeakPolarHBondContact O-CA 3.41Å; M147-C177 HydrophobicContact CB-CB 4.34Å; M147-C177 HydrophobicContact CE-CB 3.67Å; M147-C177 WeakPolarHBondContact CE-O 3.36Å; M147-C177 PolarHBondContact O-N 2.56Å; M147-C177 HydrophobicContact SD-CB 3.93Å; M147-A179 HydrophobicContact CE-CB 3.86Å; M147-W197 WeakPolarHBondContact O-CZ3 3.39Å
148D85.4Confident81.4Confident32 Ų3244.6 Ų44.617%0.17126%0.261CS..EExtended strand (participates in β ladder)trans-93.6144.5171.6-86.830.9000110.2R174 A175 R176D148-R174 IonicContact OD2-CZ 3.25Å; D148-R174 IonicContact OD2-NE 3.3Å; D148-R174 IonicContact OD2-NH2 3.73Å; D148-R174 PolarHBondContact OD2-NH2 2.97Å; D148-A175 CarbonylContact C-O 3.51Å; D148-A175 WeakPolarHBondContact CA-O 3.23Å; D148-R176 WeakPolarHBondContact OD1-CG 3.44Å; D148-R176 IonicContact OD1-CZ 2.73Å; D148-R176 IonicContact OD1-NE 3.55Å; D148-R176 PolarHBondContact OD1-NE 3.25Å; D148-R176 IonicContact OD1-NH2 2.71Å; D148-R176 PolarHBondContact OD1-NH2 3.47Å; D148-R176 IonicContact OD2-CZ 3.59Å; D148-R176 IonicContact OD2-NE 3.93Å; D148-R176 IonicContact OD2-NH2 3.84Å; D148-R176 PolarHBondContact OD2-NH2 3.25Å
149R88.8Confident81.2Confident21 Ų2152.2 Ų52.28%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-140.7143.9170.9-56.6-164.9-165.3-70.813110.8N138 S140 S143 F151 R174 A175 W197N138-R149 VanDerWaalsContact O-CD 3.26Å; N138-R149 WeakPolarHBondContact O-CD 3.39Å; N138-R149 PolarHBondContact O-NE 3.43Å; N138-R149 WeakPolarHBondContact OD1-CD 3.31Å; S140-R149 PolarHBondContact O-NH2 2.88Å; S143-R149 PolarHBondContact OG-NH1 3.2Å; S143-R149 VanDerWaalsContact OG-NH1 3.09Å; S143-R149 PolarHBondContact OG-NH2 2.73Å; R149-F151 HydrophobicContact CB-CD1 4.32Å; R149-R174 WeakPolarHBondContact O-CA 3.47Å; R149-A175 PolarHBondContact N-O 2.72Å; R149-A175 PolarHBondContact O-N 3.22Å; R149-W197 HydrophobicContact CG-CH2 4.28Å; R149-W197 HydrophobicContact CG-CZ3 4.08Å
150L92.8Very high80.8Confident0 Ų055.7 Ų55.70%032%0.317CS..EExtended strand (participates in β ladder)trans-123.6121173.8-167.176.3000110.3L172 I173 R174 L232 I332 E336 V340L150-L172 HydrophobicContact CD1-CD1 4.14Å; L150-L172 HydrophobicContact CD1-CD2 4.17Å; L150-L172 HydrophobicContact CD1-CG 3.92Å; L150-L172 HydrophobicContact CD2-CD1 4.39Å; L150-L172 HydrophobicContact CG-CD1 3.98Å; L150-L172 HydrophobicContact CG-CG 4.31Å; L150-I173 WeakPolarHBondContact CA-O 3.48Å; L150-R174 HydrophobicContact CD1-CB 3.88Å; L150-R174 HydrophobicContact CD1-CG 4.3Å; L150-L232 HydrophobicContact CD1-CD1 4.22Å; L150-L232 HydrophobicContact CD1-CD2 4.14Å; L150-I332 HydrophobicContact CD2-CB 4.21Å; L150-I332 HydrophobicContact CD2-CG2 3.45Å; L150-I332 VanDerWaalsContact CD2-CG2 3.45Å; L150-E336 HydrophobicContact CB-CB 3.98Å; L150-E336 HydrophobicContact CB-CG 3.63Å; L150-E336 HydrophobicContact CD2-CB 3.92Å; L150-E336 HydrophobicContact CD2-CG 4.25Å; L150-V340 HydrophobicContact CD2-CG2 4.11Å; L150-V340 HydrophobicContact CG-CG2 4.43Å
151F94.8Very high80.7Confident5 Ų554.4 Ų54.42%0.02231%0.308CS..EExtended strand (participates in β ladder)trans-151.5159-177.760.5-80.3000111.7I134 M135 N138 R149 I173 A175I134-F151 HydrophobicContact CG2-CB 4.34Å; I134-F151 HydrophobicContact CG2-CD2 3.95Å; M135-F151 HydrophobicContact CE-CE2 4.09Å; M135-F151 HydrophobicContact CE-CZ 4.46Å; M135-F151 HydrophobicContact SD-CE2 4.06Å; M135-F151 HydrophobicContact SD-CZ 4.07Å; N138-F151 HydrophobicContact CB-CD1 3.7Å; N138-F151 HydrophobicContact CB-CD2 4.38Å; N138-F151 HydrophobicContact CB-CE1 3.44Å; N138-F151 VanDerWaalsContact CB-CE1 3.44Å; N138-F151 HydrophobicContact CB-CE2 4.14Å; N138-F151 HydrophobicContact CB-CG 4.17Å; N138-F151 HydrophobicContact CB-CZ 3.68Å; N138-F151 WeakPolarHBondContact ND2-CG 3.48Å; N138-F151 VanDerWaalsContact OD1-CD1 3.3Å; N138-F151 WeakPolarHBondContact OD1-CD1 3.13Å; R149-F151 HydrophobicContact CB-CD1 4.32Å; F151-I173 HydrophobicContact CD1-CB 4.43Å; F151-I173 HydrophobicContact CD2-CB 4.46Å; F151-I173 HydrophobicContact CD2-CD1 4.12Å; F151-I173 HydrophobicContact CE1-CB 4.1Å; F151-I173 HydrophobicContact CE1-CG2 3.93Å; F151-I173 HydrophobicContact CE2-CB 4.15Å; F151-I173 HydrophobicContact CE2-CD1 3.46Å; F151-I173 VanDerWaalsContact CE2-CD1 3.46Å; F151-I173 HydrophobicContact CE2-CG1 4.39Å; F151-I173 HydrophobicContact CE2-CG2 4.46Å; F151-I173 HydrophobicContact CZ-CB 3.96Å; F151-I173 HydrophobicContact CZ-CD1 3.86Å; F151-I173 HydrophobicContact CZ-CG2 3.81Å; F151-I173 PolarHBondContact N-O 3.09Å; F151-I173 VanDerWaalsContact N-O 3.14Å; F151-I173 PolarHBondContact O-N 2.8Å; F151-A175 HydrophobicContact CE1-CB 3.86Å
152R94.9Very high81.5Confident4 Ų456.3 Ų56.32%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-99.4142.2174.5-44120.36076.2-4.5110.5L170 V171 L172 L204 E297 Y313 Q343 E347R152-L170 HydrophobicContact CB-CD1 4.03Å; R152-V171 CarbonylContact C-O 3.55Å; R152-V171 WeakPolarHBondContact CA-O 3.35Å; R152-L172 HydrophobicContact CG-CD1 4Å; R152-L204 HydrophobicContact CG-CD1 4.16Å; R152-E297 IonicContact CZ-OE1 3.49Å; R152-E297 IonicContact CZ-OE2 3.73Å; R152-E297 IonicContact NH1-OE1 2.7Å; R152-E297 PolarHBondContact NH1-OE1 3.38Å; R152-E297 IonicContact NH1-OE2 2.85Å; R152-E297 PolarHBondContact NH1-OE2 2.91Å; R152-E297 IonicContact NH2-OE2 2.75Å; R152-E297 PolarHBondContact NH2-OE2 3.31Å; R152-Y313 PolarHBondContact NH1-OH 3.06Å; R152-Q343 PolarHBondContact O-NE2 2.77Å; R152-E347 IonicContact CZ-OE1 3.71Å; R152-E347 IonicContact CZ-OE2 2.81Å; R152-E347 IonicContact NE-OE1 2.76Å; R152-E347 PolarHBondContact NE-OE1 3.21Å; R152-E347 IonicContact NE-OE2 3.66Å; R152-E347 IonicContact NH2-OE1 2.71Å; R152-E347 IonicContact NH2-OE2 2.79Å; R152-E347 PolarHBondContact NH2-OE2 2.83Å
153C95.1Very high82.4Confident0 Ų061.8 Ų61.80%030%0.304CS..EExtended strand (participates in β ladder)trans-138.7148.6164.6-73.40000110.6D131 F155 V171 I173D131-C153 HydrophobicContact CB-CB 4.25Å; C153-F155 HydrophobicContact CB-CE2 4.14Å; C153-V171 PolarHBondContact N-O 3.08Å; C153-V171 PolarHBondContact O-N 2.81Å; C153-I173 HydrophobicContact CB-CD1 3.89Å
154R94.5Very high83.1Confident83 Ų8367.9 Ų67.931%0.31333%0.328SS..EExtended strand (participates in β ladder)trans-85.1134.5170.2-69165-75.9-172.8-6.7109.9I127 D128 D131 N168 K169 L170I127-R154 CarbonylContact C-O 3.58Å; I127-R154 WeakPolarHBondContact CA-O 3.33Å; I127-R154 WeakPolarHBondContact CB-O 3.41Å; D128-R154 HydrophobicContact CB-CB 3.67Å; D128-R154 PolarHBondContact N-O 3.47Å; D131-R154 IonicContact OD1-CZ 3.94Å; D131-R154 IonicContact OD1-NE 2.79Å; D131-R154 PolarHBondContact OD1-NE 2.73Å; D131-R154 IonicContact OD1-NH2 2.82Å; D131-R154 PolarHBondContact OD1-NH2 3.27Å; D131-R154 VanDerWaalsContact OD2-CB 3.31Å; D131-R154 WeakPolarHBondContact OD2-CB 3.48Å; D131-R154 WeakPolarHBondContact OD2-CG 3.44Å; D131-R154 IonicContact OD2-CZ 2.62Å; D131-R154 PolarHBondContact OD2-N 2.87Å; D131-R154 IonicContact OD2-NE 3.64Å; D131-R154 PolarHBondContact OD2-NE 2.86Å; D131-R154 IonicContact OD2-NH2 3.27Å; R154-N168 HydrophobicContact CB-CB 4.22Å; R154-K169 CarbonylContact C-O 3.59Å; R154-K169 VanDerWaalsContact CA-O 3.31Å; R154-K169 WeakPolarHBondContact CA-O 3.36Å; R154-L170 HydrophobicContact CG-CD1 3.74Å
155F95Very high83.9Confident0 Ų063.6 Ų63.60%030%0.298CS..EExtended strand (participates in β ladder)trans-109.7140178.2-78-108.8000110.6F88 M90 L109 I126 I127 C153 T157 N168 K169 V171 I173F88-F155 HydrophobicContact CE2-CD1 4.46Å; F88-F155 HydrophobicContact CE2-CE1 4.02Å; F88-F155 HydrophobicContact CE2-CZ 4.47Å; F88-F155 HydrophobicContact CZ-CD1 4.04Å; F88-F155 AromaticContact CZ-CE1 3.9Å; F88-F155 HydrophobicContact CZ-CE1 3.9Å; F88-F155 HydrophobicContact CZ-CG 4.48Å; F88-F155 HydrophobicContact CZ-CZ 4.22Å; M90-F155 HydrophobicContact CE-CE1 4.45Å; M90-F155 HydrophobicContact SD-CE1 3.87Å; M90-F155 HydrophobicContact SD-CZ 4.12Å; L109-F155 HydrophobicContact CD1-CB 3.87Å; L109-F155 HydrophobicContact CD1-CD1 3.72Å; L109-F155 HydrophobicContact CD1-CG 4.16Å; L109-F155 HydrophobicContact CD2-CB 3.57Å; L109-F155 HydrophobicContact CD2-CG 4.3Å; L109-F155 HydrophobicContact CG-CB 4.4Å; I126-F155 HydrophobicContact CG2-CD1 3.88Å; I126-F155 HydrophobicContact CG2-CE1 4.39Å; I127-F155 HydrophobicContact CG2-CD1 3.9Å; I127-F155 HydrophobicContact CG2-CD2 4.12Å; I127-F155 HydrophobicContact CG2-CE1 3.72Å; I127-F155 HydrophobicContact CG2-CE2 3.96Å; I127-F155 HydrophobicContact CG2-CG 4.1Å; I127-F155 HydrophobicContact CG2-CZ 3.76Å; C153-F155 HydrophobicContact CB-CE2 4.14Å; F155-T157 PolarHBondContact O-N 3.04Å; F155-N168 CarbonylContact O-C 3.6Å; F155-N168 WeakPolarHBondContact O-CA 3.44Å; F155-N168 WeakPolarHBondContact O-CB 3.38Å; F155-K169 PolarHBondContact N-O 3.32Å; F155-K169 PolarHBondContact O-N 3.22Å; F155-V171 HydrophobicContact CB-CG2 4.34Å; F155-V171 HydrophobicContact CD2-CB 3.58Å; F155-V171 HydrophobicContact CD2-CG1 4.27Å; F155-V171 HydrophobicContact CD2-CG2 3.48Å; F155-V171 VanDerWaalsContact CD2-CG2 3.48Å; F155-V171 HydrophobicContact CE2-CB 3.66Å; F155-V171 HydrophobicContact CE2-CG1 3.94Å; F155-V171 HydrophobicContact CE2-CG2 4.02Å; F155-V171 HydrophobicContact CG-CG2 4.09Å; F155-I173 HydrophobicContact CE2-CD1 3.96Å; F155-I173 HydrophobicContact CE2-CG1 4.35Å; F155-I173 HydrophobicContact CZ-CD1 4.09Å
156N93.3Very high84.3Confident51 Ų5160.3 Ų60.327%0.27330%0.295SS..PPolyproline II helixtrans-65.8116.9177.8-68.9-47.7000110.2I126 I127 N168I126-N156 VanDerWaalsContact O-CB 3.32Å; I126-N156 WeakPolarHBondContact O-CB 3.31Å; I126-N156 PolarHBondContact O-N 3.11Å; I126-N156 PolarHBondContact O-ND2 3.26Å; I127-N156 PolarHBondContact O-ND2 3.35Å; N156-N168 WeakPolarHBondContact CA-OD1 3.31Å; N156-N168 PolarHBondContact OD1-ND2 2.8Å; N156-N168 PolarHBondContact OD1-OD1 3.04Å
157T92.5Very high84.9Confident5 Ų558 Ų583%0.03129%0.29CS..PPolyproline II helixtrans-86.3149.6176.958.40000111.9F155 V161 R162 G167 K169F155-T157 PolarHBondContact O-N 3.04Å; T157-V161 HydrophobicContact CG2-CG1 3.87Å; T157-R162 PolarHBondContact O-NH2 2.73Å; T157-R162 PolarHBondContact OG1-NE 2.96Å; T157-R162 PolarHBondContact OG1-NH2 2.99Å; T157-G167 WeakPolarHBondContact CB-O 3.41Å; T157-G167 VanDerWaalsContact CG2-O 3.3Å; T157-G167 WeakPolarHBondContact CG2-O 3.45Å; T157-G167 PolarHBondContact OG1-O 3.3Å; T157-K169 HydrophobicContact CG2-CB 3.66Å; T157-K169 HydrophobicContact CG2-CD 3.91Å; T157-K169 HydrophobicContact CG2-CG 3.65Å
158S90.6Very high85.4Confident6 Ų655.8 Ų55.84%0.04228%0.28CS..PPolyproline II helixtrans-68.9161174.979.50000112.5L109 G110 H111 S160 V161 R162L109-S158 PolarHBondContact O-N 3.07Å; G110-S158 VanDerWaalsContact C-CB 3.49Å; G110-S158 VanDerWaalsContact C-OG 3.31Å; G110-S158 WeakPolarHBondContact CA-OG 3.27Å; G110-S158 WeakPolarHBondContact O-CB 3.08Å; G110-S158 PolarHBondContact O-OG 3.05Å; H111-S158 PolarHBondContact CD2-N 2.7Å; S158-S160 PolarHBondContact O-N 3.34Å; S158-S160 VanDerWaalsContact O-N 3.12Å; S158-S160 PolarHBondContact OG-OG 3.03Å; S158-V161 PolarHBondContact O-N 2.93Å; S158-V161 PolarHBondContact OG-N 3.21Å; S158-R162 WeakPolarHBondContact O-CB 3.44Å; S158-R162 PolarHBondContact O-N 2.74Å
159K86.9Confident85.7Confident181 Ų18155.8 Ų55.879%0.78728%0.279SS*.THydrogen-bonded Turntrans-64.8-13.6-179.8-64.9179-178.5174.40114R163K159-R163 WeakPolarHBondContact O-CD 3.14Å; K159-R163 WeakPolarHBondContact O-CG 3.26Å
160S81.1Confident85.8Confident74 Ų7455.8 Ų55.852%0.51728%0.28SS..THydrogen-bonded Turntrans-84.8-48.2171.444.70000111.2S158 R162 R163S158-S160 PolarHBondContact O-N 3.34Å; S158-S160 VanDerWaalsContact O-N 3.12Å; S158-S160 PolarHBondContact OG-OG 3.03Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 3.4Å; S160-R163 WeakPolarHBondContact O-CB 3.47Å; S160-R163 PolarHBondContact O-N 3.48Å; S160-R163 VanDerWaalsContact O-N 3.15Å
161V81.8Confident85.9Confident15 Ų1555.8 Ų55.89%0.09128%0.28CS..G310 helixtrans-62.6-40175.7170.70000111.3T157 S158 R163 Q164 S165 K169T157-V161 HydrophobicContact CG2-CG1 3.87Å; S158-V161 PolarHBondContact O-N 2.93Å; S158-V161 PolarHBondContact OG-N 3.21Å; V161-R163 PolarHBondContact O-N 3.04Å; V161-Q164 WeakPolarHBondContact O-CA 3.41Å; V161-Q164 WeakPolarHBondContact O-CB 3.41Å; V161-Q164 PolarHBondContact O-N 3.24Å; V161-S165 PolarHBondContact O-N 2.98Å; V161-K169 HydrophobicContact CG1-CD 4.21Å
162R81.4Confident85.9Confident111 Ų11155.6 Ų55.642%0.41928%0.279SS..G310 helixtrans-67.7-2.7177-152.6179.1-59.4-130.5-3115T157 S158 S160 S165 N168T157-R162 PolarHBondContact O-NH2 2.73Å; T157-R162 PolarHBondContact OG1-NE 2.96Å; T157-R162 PolarHBondContact OG1-NH2 2.99Å; S158-R162 WeakPolarHBondContact O-CB 3.44Å; S158-R162 PolarHBondContact O-N 2.74Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 3.4Å; R162-S165 CarbonylContact C-O 3.57Å; R162-S165 WeakPolarHBondContact CA-O 3.48Å; R162-N168 VanDerWaalsContact CZ-OD1 3.25Å; R162-N168 PolarHBondContact NH1-OD1 3.06Å; R162-N168 PolarHBondContact NH2-OD1 3.11Å
163R76.2Confident85.9Confident220 Ų22055.5 Ų55.583%0.8328%0.279SS*.G310 helixtrans-95.5-7.3167.9-70.2170.5175.3-89.53.9112.7K159 S160 V161K159-R163 WeakPolarHBondContact O-CD 3.14Å; K159-R163 WeakPolarHBondContact O-CG 3.26Å; S160-R163 WeakPolarHBondContact O-CB 3.47Å; S160-R163 PolarHBondContact O-N 3.48Å; S160-R163 VanDerWaalsContact O-N 3.15Å; V161-R163 PolarHBondContact O-N 3.04Å
164Q69.6Low85.7Confident174 Ų17457.3 Ų57.381%0.81329%0.286SS*.THydrogen-bonded Turntrans-116.7-38-175.9-63.7178.5-20.200111.8V161V161-Q164 WeakPolarHBondContact O-CA 3.41Å; V161-Q164 WeakPolarHBondContact O-CB 3.41Å; V161-Q164 PolarHBondContact O-N 3.24Å
165S67.8Low85.5Confident33 Ų3353.4 Ų53.423%0.23127%0.271CS..SBendtrans-124.4158.8166.671.30000112.2V161 R162 G167 E205V161-S165 PolarHBondContact O-N 2.98Å; R162-S165 CarbonylContact C-O 3.57Å; R162-S165 WeakPolarHBondContact CA-O 3.48Å; S165-G167 PolarHBondContact O-N 3.06Å; S165-E205 WeakPolarHBondContact CB-OE2 3.42Å; S165-E205 PolarHBondContact OG-OE2 3.07Å
166A63.7Low85.2Confident101 Ų10156.7 Ų56.784%0.83528%0.283SS*.SBendtrans-8496.5-16900000112.4
167G79.5Confident84.9Confident23 Ų2354.8 Ų54.824%0.23727%0.274CS..SBendtrans85.7-139.5168.300000114.5T157 S165T157-G167 WeakPolarHBondContact CB-O 3.41Å; T157-G167 VanDerWaalsContact CG2-O 3.3Å; T157-G167 WeakPolarHBondContact CG2-O 3.45Å; T157-G167 PolarHBondContact OG1-O 3.3Å; S165-G167 PolarHBondContact O-N 3.06Å
168N88.4Confident84.4Confident33 Ų3357 Ų5718%0.17629%0.286CS..SBendtrans-88.3137.1-173.4-77.4-8.2000111.2D128 R154 F155 N156 R162D128-N168 PolarHBondContact OD2-ND2 2.57Å; R154-N168 HydrophobicContact CB-CB 4.22Å; F155-N168 CarbonylContact O-C 3.6Å; F155-N168 WeakPolarHBondContact O-CA 3.44Å; F155-N168 WeakPolarHBondContact O-CB 3.38Å; N156-N168 WeakPolarHBondContact CA-OD1 3.31Å; N156-N168 PolarHBondContact OD1-ND2 2.8Å; N156-N168 PolarHBondContact OD1-OD1 3.04Å; R162-N168 VanDerWaalsContact CZ-OD1 3.25Å; R162-N168 PolarHBondContact NH1-OD1 3.06Å; R162-N168 PolarHBondContact NH2-OD1 3.11Å
169K90.4Very high83.2Confident32 Ų3260.1 Ų60.114%0.13931%0.311CS..EExtended strand (participates in β ladder)trans-81.1126.3-169.6-104.8176.1-179.2-165.40111.5H108 L109 R154 F155 T157 V161 E205H108-K169 WeakPolarHBondContact O-CD 3.28Å; H108-K169 WeakPolarHBondContact O-CE 3.42Å; H108-K169 PolarHBondContact O-NZ 2.87Å; L109-K169 HydrophobicContact CD2-CB 4.17Å; L109-K169 HydrophobicContact CD2-CD 4.47Å; R154-K169 CarbonylContact C-O 3.59Å; R154-K169 VanDerWaalsContact CA-O 3.31Å; R154-K169 WeakPolarHBondContact CA-O 3.36Å; F155-K169 PolarHBondContact N-O 3.32Å; F155-K169 PolarHBondContact O-N 3.22Å; T157-K169 HydrophobicContact CG2-CB 3.66Å; T157-K169 HydrophobicContact CG2-CD 3.91Å; T157-K169 HydrophobicContact CG2-CG 3.65Å; V161-K169 HydrophobicContact CG1-CD 4.21Å; K169-E205 WeakPolarHBondContact CA-OE1 3.32Å; K169-E205 WeakPolarHBondContact CE-OE2 3.45Å; K169-E205 WeakPolarHBondContact CG-OE1 3.49Å; K169-E205 WeakPolarHBondContact CG-OE2 3.47Å
170L92Very high81.8Confident21 Ų2154.8 Ų54.811%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-77.6127.8175.4-168.771.2000110.5R152 R154 L204R152-L170 HydrophobicContact CB-CD1 4.03Å; R154-L170 HydrophobicContact CG-CD1 3.74Å; L170-L204 HydrophobicContact CD2-CB 4.39Å; L170-L204 HydrophobicContact CD2-CD1 3.81Å; L170-L204 HydrophobicContact CG-CB 4.5Å; L170-L204 HydrophobicContact CG-CD1 3.92Å; L170-L204 PolarHBondContact O-N 3.27Å
171V94.2Very high80.4Confident0 Ų054.3 Ų54.30%029%0.29CS..EExtended strand (participates in β ladder)trans-129.6133.2-176.8179.70000109.2F88 R152 C153 F155 I173 C201 P203F88-V171 HydrophobicContact CE1-CG1 4.34Å; F88-V171 HydrophobicContact CE1-CG2 4.41Å; F88-V171 HydrophobicContact CZ-CG1 4.39Å; R152-V171 CarbonylContact C-O 3.55Å; R152-V171 WeakPolarHBondContact CA-O 3.35Å; C153-V171 PolarHBondContact N-O 3.08Å; C153-V171 PolarHBondContact O-N 2.81Å; F155-V171 HydrophobicContact CB-CG2 4.34Å; F155-V171 HydrophobicContact CD2-CB 3.58Å; F155-V171 HydrophobicContact CD2-CG1 4.27Å; F155-V171 HydrophobicContact CD2-CG2 3.48Å; F155-V171 VanDerWaalsContact CD2-CG2 3.48Å; F155-V171 HydrophobicContact CE2-CB 3.66Å; F155-V171 HydrophobicContact CE2-CG1 3.94Å; F155-V171 HydrophobicContact CE2-CG2 4.02Å; F155-V171 HydrophobicContact CG-CG2 4.09Å; V171-I173 HydrophobicContact CG1-CG1 4.38Å; V171-C201 HydrophobicContact CG1-CB 3.73Å; V171-P203 HydrophobicContact CG2-CB 4.43Å; V171-P203 HydrophobicContact CG2-CG 4.36Å
172L94.6Very high78.7Confident1 Ų159 Ų591%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-88.6127170-171.967.6000108.9L150 R152 T202 L204 L232 Y313 Y330L150-L172 HydrophobicContact CD1-CD1 4.14Å; L150-L172 HydrophobicContact CD1-CD2 4.17Å; L150-L172 HydrophobicContact CD1-CG 3.92Å; L150-L172 HydrophobicContact CD2-CD1 4.39Å; L150-L172 HydrophobicContact CG-CD1 3.98Å; L150-L172 HydrophobicContact CG-CG 4.31Å; R152-L172 HydrophobicContact CG-CD1 4Å; L172-T202 PolarHBondContact N-O 3.05Å; L172-T202 PolarHBondContact O-N 3.49Å; L172-L204 HydrophobicContact CB-CD1 3.87Å; L172-L204 HydrophobicContact CB-CD2 3.81Å; L172-L204 HydrophobicContact CB-CG 3.89Å; L172-L204 HydrophobicContact CD2-CD2 4.31Å; L172-L232 HydrophobicContact CD2-CD2 3.26Å; L172-L232 HydrophobicContact CG-CD2 4.29Å; L172-Y313 HydrophobicContact CD1-CD1 4.49Å; L172-Y313 HydrophobicContact CD1-CE1 4.11Å; L172-Y313 HydrophobicContact CD2-CD1 3.94Å; L172-Y313 HydrophobicContact CD2-CE1 3.88Å; L172-Y330 HydrophobicContact CD2-CD1 4.39Å; L172-Y330 HydrophobicContact CD2-CD2 4.49Å; L172-Y330 HydrophobicContact CD2-CG 4.23Å
173I94.5Very high77.1Confident1 Ų158.5 Ų58.51%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-111.1117.8-177.6-57.7164.3000108.2M135 L150 F151 C153 F155 V171 A175 C199 F200M135-I173 HydrophobicContact CE-CD1 3.61Å; L150-I173 WeakPolarHBondContact CA-O 3.48Å; F151-I173 HydrophobicContact CD1-CB 4.43Å; F151-I173 HydrophobicContact CD2-CB 4.46Å; F151-I173 HydrophobicContact CD2-CD1 4.12Å; F151-I173 HydrophobicContact CE1-CB 4.1Å; F151-I173 HydrophobicContact CE1-CG2 3.93Å; F151-I173 HydrophobicContact CE2-CB 4.15Å; F151-I173 HydrophobicContact CE2-CD1 3.46Å; F151-I173 VanDerWaalsContact CE2-CD1 3.46Å; F151-I173 HydrophobicContact CE2-CG1 4.39Å; F151-I173 HydrophobicContact CE2-CG2 4.46Å; F151-I173 HydrophobicContact CZ-CB 3.96Å; F151-I173 HydrophobicContact CZ-CD1 3.86Å; F151-I173 HydrophobicContact CZ-CG2 3.81Å; F151-I173 PolarHBondContact N-O 3.09Å; F151-I173 VanDerWaalsContact N-O 3.14Å; F151-I173 PolarHBondContact O-N 2.8Å; C153-I173 HydrophobicContact CB-CD1 3.89Å; F155-I173 HydrophobicContact CE2-CD1 3.96Å; F155-I173 HydrophobicContact CE2-CG1 4.35Å; F155-I173 HydrophobicContact CZ-CD1 4.09Å; V171-I173 HydrophobicContact CG1-CG1 4.38Å; I173-A175 HydrophobicContact CG2-CB 4.14Å; I173-C199 HydrophobicContact CG2-CB 3.77Å; I173-F200 WeakPolarHBondContact CA-O 3.49Å
174R91.8Very high75.6Confident39 Ų3951.6 Ų51.615%0.14733%0.334CS..EExtended strand (participates in β ladder)trans-93.9104.1162.4-169.8-179.3-171.976.728.5107.5D148 R149 L150 F200 E336D148-R174 IonicContact OD2-CZ 3.25Å; D148-R174 IonicContact OD2-NE 3.3Å; D148-R174 IonicContact OD2-NH2 3.73Å; D148-R174 PolarHBondContact OD2-NH2 2.97Å; R149-R174 WeakPolarHBondContact O-CA 3.47Å; L150-R174 HydrophobicContact CD1-CB 3.88Å; L150-R174 HydrophobicContact CD1-CG 4.3Å; R174-F200 HydrophobicContact CB-CB 4.42Å; R174-F200 PolarHBondContact N-O 2.57Å; R174-F200 PolarHBondContact O-N 3.28Å; R174-E336 IonicContact CZ-OE1 2.85Å; R174-E336 IonicContact NH1-OE1 3.97Å; R174-E336 PolarHBondContact NH1-OE1 2.83Å; R174-E336 IonicContact NH1-OE2 3.64Å; R174-E336 PolarHBondContact NH1-OE2 2.89Å; R174-E336 IonicContact NH2-OE1 2.77Å; R174-E336 PolarHBondContact NH2-OE1 2.87Å
175A90.9Very high74.5Confident0 Ų050.1 Ų50.10%034%0.339CS..EExtended strand (participates in β ladder)trans-103.9122.6-177.900000110.6D148 R149 F151 I173 W197 V198D148-A175 CarbonylContact C-O 3.51Å; D148-A175 WeakPolarHBondContact CA-O 3.23Å; R149-A175 PolarHBondContact N-O 2.72Å; R149-A175 PolarHBondContact O-N 3.22Å; F151-A175 HydrophobicContact CE1-CB 3.86Å; I173-A175 HydrophobicContact CG2-CB 4.14Å; A175-W197 HydrophobicContact CB-CE3 3.97Å; A175-V198 CarbonylContact C-O 3.49Å; A175-V198 WeakPolarHBondContact CA-O 3.3Å
176R88.3Confident73.8Confident69 Ų6952.3 Ų52.326%0.2636%0.359SS..EExtended strand (participates in β ladder)trans-108.3122.9171.4176.4166.7-67.4149.414109.9M147 D148 W197 V198 N229M147-R176 CarbonylContact O-C 3.43Å; M147-R176 WeakPolarHBondContact O-CA 3.41Å; D148-R176 WeakPolarHBondContact OD1-CG 3.44Å; D148-R176 IonicContact OD1-CZ 2.73Å; D148-R176 IonicContact OD1-NE 3.55Å; D148-R176 PolarHBondContact OD1-NE 3.25Å; D148-R176 IonicContact OD1-NH2 2.71Å; D148-R176 PolarHBondContact OD1-NH2 3.47Å; D148-R176 IonicContact OD2-CZ 3.59Å; D148-R176 IonicContact OD2-NE 3.93Å; D148-R176 IonicContact OD2-NH2 3.84Å; D148-R176 PolarHBondContact OD2-NH2 3.25Å; R176-W197 CarbonylContact O-C 3.51Å; R176-W197 WeakPolarHBondContact O-CA 3.43Å; R176-V198 PolarHBondContact N-O 2.93Å; R176-V198 PolarHBondContact O-N 2.72Å; R176-N229 PolarHBondContact NH1-O 3.16Å; R176-N229 PolarHBondContact NH2-O 3.5Å
177C87.6Confident73Confident12 Ų1251.9 Ų51.98%0.08136%0.356CS..EExtended strand (participates in β ladder)trans-68.9129.2168.3-170.70000109M147 W197M147-C177 HydrophobicContact CB-CB 4.34Å; M147-C177 HydrophobicContact CE-CB 3.67Å; M147-C177 WeakPolarHBondContact CE-O 3.36Å; M147-C177 PolarHBondContact O-N 2.56Å; M147-C177 HydrophobicContact SD-CB 3.93Å; C177-W197 HydrophobicContact CB-CD2 4.01Å; C177-W197 HydrophobicContact CB-CE3 3.74Å; C177-W197 HydrophobicContact CB-CH2 3.75Å; C177-W197 HydrophobicContact CB-CZ2 4.03Å; C177-W197 HydrophobicContact CB-CZ3 3.6Å; C177-W197 VanDerWaalsContact N-CE3 3.29Å
178L82.1Confident71.7Confident52 Ų5256.4 Ų56.427%0.27238%0.383SS..EExtended strand (participates in β ladder)trans-80.5118.6165.2-58.8175.5000107.1F55 V196 V198F55-L178 HydrophobicContact CE1-CD1 3.87Å; F55-L178 HydrophobicContact CZ-CD1 3.61Å; L178-V196 HydrophobicContact CD1-CG1 4.16Å; L178-V196 PolarHBondContact N-O 2.93Å; L178-V198 HydrophobicContact CD1-CG2 3.71Å; L178-V198 HydrophobicContact CD2-CG2 3.84Å; L178-V198 HydrophobicContact CG-CG2 3.8Å
179A65.1Low70.3Confident70 Ų7055.9 Ų55.958%0.57938%0.383SS*.PPolyproline II helixtrans-58.2134173.500000109.3M147M147-A179 HydrophobicContact CE-CB 3.86Å
180P56.3Low69.2Low69 Ų6959.4 Ų59.445%0.44840%0.396SS..PPolyproline II helixtrans-59.4135.717026.2-33000108.5S182P180-S182 PolarHBondContact O-N 3.23Å
181P52.4Low68Low64 Ų6459.3 Ų59.342%0.41639%0.394SS..PPolyproline II helixtrans-55.8132.6-17420.6-32.5000110.8A183P181-A183 PolarHBondContact O-N 2.97Å
182S46.9Very low66.5Low114 Ų11462 Ų6280%0.79741%0.41SS*.PPolyproline II helixtrans-69.2122.5-159.147.20000113.3P180 A184P180-S182 PolarHBondContact O-N 3.23Å; S182-A184 VanDerWaalsContact C-N 3.26Å; S182-A184 PolarHBondContact O-N 2.96Å
183A46.8Very low65.1Low100 Ų10066.1 Ų66.183%0.82644%0.439SS*.  trans51.424.2153.700000118.7P181 P185P181-A183 PolarHBondContact O-N 2.97Å; A183-P185 VanDerWaalsContact O-CD 3.27Å; A183-P185 WeakPolarHBondContact O-CD 3.21Å
184A45.6Very low64.2Low76 Ų7668 Ų6863%0.62845%0.45SS*.  trans-72.2113.3163.900000109.3S182 A186S182-A184 VanDerWaalsContact C-N 3.26Å; S182-A184 PolarHBondContact O-N 2.96Å; A184-A186 PolarHBondContact O-N 3.45Å
185P46.6Very low63.8Low143 Ų14367.7 Ų67.793%0.92945%0.452SS*.  trans-82.630.1-169.435.6-37.4000113.3A183A183-P185 VanDerWaalsContact O-CD 3.27Å; A183-P185 WeakPolarHBondContact O-CD 3.21Å
186A51.3Low63.7Low79 Ų7967.9 Ų67.965%0.65345%0.453SS*.SBendtrans-130.5129.3-173.200000111.1A184A184-A186 PolarHBondContact O-N 3.45Å
187A47.3Very low63.8Low92 Ų9264.7 Ų64.776%0.7644%0.441SS*.  trans62.8108.6-173.500000115.4S189A187-S189 PolarHBondContact O-N 2.96Å
188S51.9Low64Low117 Ų11765.1 Ų65.182%0.81844%0.444SS*.  trans-64.7101.5160179.50000108.7
189S60.6Low64.5Low23 Ų2362.7 Ų62.716%0.16143%0.431CS..  trans-90.1142.5172.5-179.40000109Q58 A187 W191 T192Q58-S189 VanDerWaalsContact OE1-CB 3.26Å; Q58-S189 PolarHBondContact OE1-OG 3.31Å; A187-S189 PolarHBondContact O-N 2.96Å; S189-W191 PolarHBondContact O-N 2.73Å; S189-T192 PolarHBondContact N-OG1 3.1Å; S189-T192 PolarHBondContact O-N 2.92Å; S189-T192 PolarHBondContact O-OG1 3.34Å
190Y66.8Low65.8Low106 Ų10660.2 Ų60.242%0.41641%0.407SS..G310 helixtrans-52.7-30.4175.2164.4-102.5000112.3E95 N194E95-Y190 PolarHBondContact OE1-OH 3.47Å; Y190-N194 WeakPolarHBondContact CD2-ND2 3.33Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.42Å; Y190-N194 WeakPolarHBondContact O-CB 3.48Å; Y190-N194 PolarHBondContact O-N 3.44Å; Y190-N194 PolarHBondContact O-ND2 2.92Å
191W65.8Low67.6Low19 Ų1957 Ų577%0.07239%0.386CS..G310 helixtrans-75.6-23.7175.9-47.6122.1000114.6R51 F55 T93 L99 S189 S193 N194 V196R51-W191 HydrophobicContact CB-CH2 4Å; R51-W191 HydrophobicContact CB-CZ2 4.27Å; R51-W191 HydrophobicContact CG-CH2 4.14Å; R51-W191 WeakPolarHBondContact O-CZ2 3.39Å; F55-W191 HydrophobicContact CB-CZ2 4.22Å; F55-W191 HydrophobicContact CD2-CB 4.37Å; F55-W191 AromaticContact CD2-CD2 3.89Å; F55-W191 HydrophobicContact CD2-CD2 3.89Å; F55-W191 HydrophobicContact CD2-CE3 4.18Å; F55-W191 AromaticContact CD2-CG 3.96Å; F55-W191 HydrophobicContact CD2-CG 3.96Å; T93-W191 HydrophobicContact CG2-CZ3 3.76Å; L99-W191 HydrophobicContact CD1-CH2 3.91Å; L99-W191 HydrophobicContact CD1-CZ3 3.92Å; L99-W191 HydrophobicContact CD2-CH2 3.91Å; L99-W191 HydrophobicContact CD2-CZ3 3.83Å; L99-W191 HydrophobicContact CG-CH2 4.05Å; L99-W191 HydrophobicContact CG-CZ3 4.28Å; S189-W191 PolarHBondContact O-N 2.73Å; W191-S193 PolarHBondContact O-N 3.45Å; W191-N194 PolarHBondContact O-N 2.94Å; W191-V196 HydrophobicContact CE3-CG2 3.97Å; W191-V196 HydrophobicContact CZ3-CG2 4.34Å
192T62.7Low69.5Low56 Ų5655 Ų5534%0.34437%0.373SS..G310 helixtrans-73.7-14.9176.351.70000113.5S189S189-T192 PolarHBondContact N-OG1 3.1Å; S189-T192 PolarHBondContact O-N 2.92Å; S189-T192 PolarHBondContact O-OG1 3.34Å
193S65.6Low71.6Confident87 Ų8750.4 Ų50.461%0.60834%0.34SS*.SBendtrans-110.2-3.9175.2-52.30000113.8W191W191-S193 PolarHBondContact O-N 3.45Å
194N76.7Confident73.6Confident42 Ų4245.6 Ų45.623%0.22530%0.301CS..SBendtrans-129.7109.8-179.5-70.6-83.9000109.4Y190 W191Y190-N194 WeakPolarHBondContact CD2-ND2 3.33Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.42Å; Y190-N194 WeakPolarHBondContact O-CB 3.48Å; Y190-N194 PolarHBondContact O-N 3.44Å; Y190-N194 PolarHBondContact O-ND2 2.92Å; W191-N194 PolarHBondContact O-N 2.94Å
195P83.5Confident75.1Confident32 Ų3244.4 Ų44.421%0.20828%0.282CS..  trans-61.4146.4178.528.9-36.5000110.3T93 G94 A141T93-P195 CarbonylContact C-O 3.58Å; T93-P195 WeakPolarHBondContact CA-O 3.41Å; G94-P195 PolarHBondContact N-O 2.84Å; A141-P195 HydrophobicContact CB-CB 4.47Å; A141-P195 HydrophobicContact CB-CG 4.01Å
196V87.6Confident75.7Confident3 Ų340 Ų402%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-113.5131.4173.5174.30000108.7F55 L91 L92 L99 L178 W191F55-V196 HydrophobicContact CD2-CG2 3.89Å; F55-V196 HydrophobicContact CE2-CB 3.77Å; F55-V196 HydrophobicContact CE2-CG1 4.07Å; F55-V196 HydrophobicContact CE2-CG2 3.53Å; F55-V196 HydrophobicContact CZ-CB 4.05Å; F55-V196 HydrophobicContact CZ-CG1 4.03Å; F55-V196 HydrophobicContact CZ-CG2 4.31Å; L91-V196 HydrophobicContact CD2-CG1 4.47Å; L92-V196 CarbonylContact O-C 3.53Å; L92-V196 VanDerWaalsContact O-CA 3.31Å; L92-V196 WeakPolarHBondContact O-CA 3.25Å; L99-V196 HydrophobicContact CD2-CG1 3.94Å; L99-V196 HydrophobicContact CD2-CG2 3.98Å; L178-V196 HydrophobicContact CD1-CG1 4.16Å; L178-V196 PolarHBondContact N-O 2.93Å; W191-V196 HydrophobicContact CE3-CG2 3.97Å; W191-V196 HydrophobicContact CZ3-CG2 4.34Å
197W90.9Very high75.9Confident3 Ų342 Ų421%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-110.3128.6-177-64.587.6000110L91 L92 N138 L139 M147 R149 A175 R176 C177L91-W197 WeakPolarHBondContact CA-O 3.37Å; L92-W197 PolarHBondContact N-O 2.94Å; L92-W197 PolarHBondContact O-N 3.23Å; N138-W197 WeakPolarHBondContact O-CH2 3.4Å; N138-W197 WeakPolarHBondContact O-CZ2 3.38Å; L139-W197 HydrophobicContact CD2-CB 3.84Å; L139-W197 HydrophobicContact CD2-CD2 4.16Å; L139-W197 HydrophobicContact CD2-CG 3.58Å; L139-W197 PolarHBondContact O-NE1 2.74Å; M147-W197 WeakPolarHBondContact O-CZ3 3.39Å; R149-W197 HydrophobicContact CG-CH2 4.28Å; R149-W197 HydrophobicContact CG-CZ3 4.08Å; A175-W197 HydrophobicContact CB-CE3 3.97Å; R176-W197 CarbonylContact O-C 3.51Å; R176-W197 WeakPolarHBondContact O-CA 3.43Å; C177-W197 HydrophobicContact CB-CD2 4.01Å; C177-W197 HydrophobicContact CB-CE3 3.74Å; C177-W197 HydrophobicContact CB-CH2 3.75Å; C177-W197 HydrophobicContact CB-CZ2 4.03Å; C177-W197 HydrophobicContact CB-CZ3 3.6Å; C177-W197 VanDerWaalsContact N-CE3 3.29Å
198V91.5Very high75.8Confident21 Ų2142.8 Ų42.813%0.12725%0.247CC..EExtended strand (participates in β ladder)trans-92.3113.9167.7-178.50000107.7L89 L91 A175 R176 L178 F200L89-V198 HydrophobicContact CD1-CG1 3.69Å; L91-V198 HydrophobicContact CD1-CG1 4.23Å; L91-V198 HydrophobicContact CD1-CG2 4.1Å; L91-V198 HydrophobicContact CG-CG2 4.05Å; A175-V198 CarbonylContact C-O 3.49Å; A175-V198 WeakPolarHBondContact CA-O 3.3Å; R176-V198 PolarHBondContact N-O 2.93Å; R176-V198 PolarHBondContact O-N 2.72Å; L178-V198 HydrophobicContact CD1-CG2 3.71Å; L178-V198 HydrophobicContact CD2-CG2 3.84Å; L178-V198 HydrophobicContact CG-CG2 3.8Å; V198-F200 HydrophobicContact CG1-CD2 4.26Å; V198-F200 HydrophobicContact CG1-CE2 3.57Å; V198-F200 HydrophobicContact CG1-CZ 3.93Å
199C93.3Very high75.3Confident1 Ų143.5 Ų43.51%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-111111.1-175.4-65.70000110.5M90 I173M90-C199 HydrophobicContact CB-CB 4.21Å; M90-C199 PolarHBondContact N-O 2.98Å; M90-C199 PolarHBondContact O-N 3.12Å; I173-C199 HydrophobicContact CG2-CB 3.77Å
200F92.5Very high74.2Confident17 Ų1753 Ų538%0.07528%0.279CS..EExtended strand (participates in β ladder)trans-86113.7169.4-64.1-90.3000108.7M85 L89 I173 R174 V198 L230 F231M85-F200 HydrophobicContact SD-CD1 4.29Å; L89-F200 HydrophobicContact CD1-CD1 3.77Å; L89-F200 HydrophobicContact CD1-CD2 4.4Å; L89-F200 HydrophobicContact CD1-CE1 3.65Å; L89-F200 HydrophobicContact CD1-CE2 4.29Å; L89-F200 HydrophobicContact CD1-CG 4.14Å; L89-F200 HydrophobicContact CD1-CZ 3.9Å; I173-F200 WeakPolarHBondContact CA-O 3.49Å; R174-F200 HydrophobicContact CB-CB 4.42Å; R174-F200 PolarHBondContact N-O 2.57Å; R174-F200 PolarHBondContact O-N 3.28Å; V198-F200 HydrophobicContact CG1-CD2 4.26Å; V198-F200 HydrophobicContact CG1-CE2 3.57Å; V198-F200 HydrophobicContact CG1-CZ 3.93Å; F200-L230 WeakPolarHBondContact CD2-O 3.39Å; F200-L230 HydrophobicContact CE1-CB 4.22Å; F200-L230 HydrophobicContact CE2-CB 4Å; F200-L230 HydrophobicContact CE2-CD2 3.85Å; F200-L230 HydrophobicContact CE2-CG 4.46Å; F200-L230 HydrophobicContact CZ-CB 3.69Å; F200-L230 HydrophobicContact CZ-CD1 4.26Å; F200-L230 HydrophobicContact CZ-CD2 3.91Å; F200-L230 HydrophobicContact CZ-CG 4.16Å; F200-F231 HydrophobicContact CD1-CD1 4.26Å; F200-F231 AromaticContact CD1-CE1 3.99Å; F200-F231 HydrophobicContact CD1-CE1 3.99Å; F200-F231 HydrophobicContact CE1-CD1 4.46Å; F200-F231 AromaticContact CE1-CE1 3.9Å; F200-F231 HydrophobicContact CE1-CE1 3.9Å; F200-F231 HydrophobicContact CE1-CZ 4.3Å
201C93.8Very high72.4Confident2 Ų253.5 Ų53.51%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-106.9103.5-170.5-67.60000110.3G87 F88 V171 P203G87-C201 VanDerWaalsContact CA-O 3.28Å; G87-C201 WeakPolarHBondContact CA-O 3.38Å; F88-C201 HydrophobicContact CD1-CB 3.91Å; F88-C201 HydrophobicContact CD2-CB 3.76Å; F88-C201 HydrophobicContact CE1-CB 3.72Å; F88-C201 HydrophobicContact CE2-CB 3.57Å; F88-C201 HydrophobicContact CG-CB 3.93Å; F88-C201 HydrophobicContact CZ-CB 3.55Å; F88-C201 PolarHBondContact N-O 2.98Å; F88-C201 WeakPolarHBondContact O-CB 3.39Å; F88-C201 PolarHBondContact O-N 3.2Å; V171-C201 HydrophobicContact CG1-CB 3.73Å; C201-P203 WeakPolarHBondContact O-CD 3.33Å
202T91.8Very high70.7Confident22 Ų2255.9 Ų55.914%0.13533%0.328CS..EExtended strand (participates in β ladder)trans-104.6109.4-177.9-56.40000110.2L172 Y330L172-T202 PolarHBondContact N-O 3.05Å; L172-T202 PolarHBondContact O-N 3.49Å; T202-Y330 HydrophobicContact CG2-CE1 3.97Å
203P90.5Very high69.2Low17 Ų1759.2 Ų59.211%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-64.1139.8177.8-25.638.3000113F88 H108 V171 C201F88-P203 HydrophobicContact CE1-CG 4.32Å; H108-P203 HydrophobicContact CB-CG 3.95Å; V171-P203 HydrophobicContact CG2-CB 4.43Å; V171-P203 HydrophobicContact CG2-CG 4.36Å; C201-P203 WeakPolarHBondContact O-CD 3.33Å
204L88.6Confident67.4Low0 Ų057.3 Ų57.30%035%0.348CS..  trans-100.12.7-174.4-64.8173.2000114R152 L170 L172 R295 Y313 V315 Y330R152-L204 HydrophobicContact CG-CD1 4.16Å; L170-L204 HydrophobicContact CD2-CB 4.39Å; L170-L204 HydrophobicContact CD2-CD1 3.81Å; L170-L204 HydrophobicContact CG-CB 4.5Å; L170-L204 HydrophobicContact CG-CD1 3.92Å; L170-L204 PolarHBondContact O-N 3.27Å; L172-L204 HydrophobicContact CB-CD1 3.87Å; L172-L204 HydrophobicContact CB-CD2 3.81Å; L172-L204 HydrophobicContact CB-CG 3.89Å; L172-L204 HydrophobicContact CD2-CD2 4.31Å; L204-R295 PolarHBondContact O-NH2 3.04Å; L204-Y313 HydrophobicContact CD1-CE1 4.17Å; L204-Y313 WeakPolarHBondContact CD1-OH 3.38Å; L204-Y313 HydrophobicContact CD2-CE1 3.92Å; L204-V315 HydrophobicContact CD2-CG2 4.1Å; L204-Y330 HydrophobicContact CD2-CD2 4.31Å; L204-Y330 HydrophobicContact CD2-CE2 3.48Å; L204-Y330 VanDerWaalsContact CD2-CE2 3.48Å
205E77.7Confident65.5Low51 Ų5161.6 Ų61.624%0.23838%0.378CS..SBendtrans-83.3129.9164.1-84.1158.8-12500108.9S165 K169 Q207S165-E205 WeakPolarHBondContact CB-OE2 3.42Å; S165-E205 PolarHBondContact OG-OE2 3.07Å; K169-E205 WeakPolarHBondContact CA-OE1 3.32Å; K169-E205 WeakPolarHBondContact CE-OE2 3.45Å; K169-E205 WeakPolarHBondContact CG-OE1 3.49Å; K169-E205 WeakPolarHBondContact CG-OE2 3.47Å; E205-Q207 PolarHBondContact O-N 2.83Å; E205-Q207 VanDerWaalsContact O-N 3.13Å
206P59.5Low63.1Low51 Ų5167.5 Ų67.533%0.33141%0.408SS..PPolyproline II helixtrans-62.2119175.726-32.8000109.7
207Q55.3Low60.5Low119 Ų11978.1 Ų78.156%0.55645%0.448SS*.PPolyproline II helixtrans-49.1122.7166.4-79.4-91.41000108.2H108 E205 T209H108-Q207 PolarHBondContact CD2-NE2 3.14Å; H108-Q207 PolarHBondContact NE2-NE2 2.96Å; E205-Q207 PolarHBondContact O-N 2.83Å; E205-Q207 VanDerWaalsContact O-N 3.13Å; Q207-T209 PolarHBondContact O-N 3.34Å
208P45.8Very low57.6Low110 Ų11084.3 Ų84.371%0.71448%0.481SS*.  trans-63.2112.8170.726.3-31.7000107R210P208-R210 PolarHBondContact O-N 3.46Å
209T40.3Very low55.2Low131 Ų13188.9 Ų88.980%0.80451%0.509SS*.  trans-51.8117.2177.7250000108.3Q207 S211Q207-T209 PolarHBondContact O-N 3.34Å; T209-S211 VanDerWaalsContact C-N 3.34Å; T209-S211 PolarHBondContact O-N 3.45Å
210R37.8Very low52.3Low222 Ų22293.7 Ų93.784%0.83854%0.538SS*.  trans-61.3100.8177.2-68.2-168.8-165.7177.89.9107.3E107 P208 G212E107-R210 IonicContact OE1-NH2 3.61Å; P208-R210 PolarHBondContact O-N 3.46Å; R210-G212 PolarHBondContact O-N 3.44Å
211S30.3Very low49.7Very low118 Ų11897 Ų9783%0.82556%0.564SS**  trans-74.156.2178.545.60000111T209 S213T209-S211 VanDerWaalsContact C-N 3.34Å; T209-S211 PolarHBondContact O-N 3.45Å; S211-S213 PolarHBondContact O-N 2.88Å
212G28.7Very low46.7Very low68 Ų68102.5 Ų102.570%0.70160%0.597SS**  trans-64.3101.9164.200000108.1R210 G214R210-G212 PolarHBondContact O-N 3.44Å; G212-G214 PolarHBondContact O-N 3.47Å
213S31.3Very low44.2Very low127 Ų127106.2 Ų106.289%0.88862%0.621SS**  trans-72.272.5-179.857.90000111S211S211-S213 PolarHBondContact O-N 2.88Å
214G28.1Very low41.8Very low47 Ų47109.3 Ų109.349%0.48564%0.641SS.*  trans-126.3111.8175.900000109.8G212 D216G212-G214 PolarHBondContact O-N 3.47Å; G214-D216 PolarHBondContact O-N 2.98Å
215P37.3Very low39.5Very low131 Ų131114.6 Ų114.685%0.85167%0.669SS**SBendtrans-81.553.3-177.136.1-37.2000111.7
216D32Very low37.7Very low157 Ų157116.1 Ų116.184%0.8469%0.691SS**  trans-171.966.9164.2-101.7-22.4000110G214G214-D216 PolarHBondContact O-N 2.98Å
217R33.4Very low36.7Very low225 Ų225120 Ų12085%0.84971%0.709SS**  trans-126.886.9147.6-68.4-149.978.7-177.43.5107.4V219R217-V219 PolarHBondContact O-N 2.8Å; R217-V219 VanDerWaalsContact O-N 3.14Å
218D31.3Very low36.3Very low134 Ų134116.8 Ų116.872%0.71770%0.697SS**  trans-52.5118.6159.2-174.88.4000107.4T220D218-T220 PolarHBondContact O-N 3.18Å; D218-T220 PolarHBondContact OD2-OG1 3.07Å
219V39.7Very low36.8Very low117 Ų117117.7 Ų117.771%0.70970%0.696SS**  trans-87.271.9175.9-175.40000105.9R217 S221R217-V219 PolarHBondContact O-N 2.8Å; R217-V219 VanDerWaalsContact O-N 3.14Å; V219-S221 PolarHBondContact O-N 3.22Å
220T31.9Very low37.6Very low102 Ų102114.2 Ų114.263%0.62667%0.672SS**  trans-66.871.5162.6-36.10000107.7D218 V222D218-T220 PolarHBondContact O-N 3.18Å; D218-T220 PolarHBondContact OD2-OG1 3.07Å; T220-V222 PolarHBondContact O-N 3.2Å
221S37.9Very low39.2Very low87 Ų87105.8 Ų105.861%0.60864%0.642SS**  trans-67.985.3167.754.70000107V219 P223V219-S221 PolarHBondContact O-N 3.22Å; S221-P223 VanDerWaalsContact O-N 3.1Å
222V32.5Very low41.6Very low117 Ų117101 Ų10171%0.70961%0.607SS**PPolyproline II helixtrans-46.9119.8164.2179.30000105.9T220T220-V222 PolarHBondContact O-N 3.2Å
223P38Very low44.3Very low100 Ų10099.3 Ų99.365%0.64959%0.586SS**PPolyproline II helixtrans-58.4129.8-179.223.4-32.4000107.7S221 L225S221-P223 VanDerWaalsContact O-N 3.1Å; P223-L225 PolarHBondContact O-N 2.81Å
224P41Very low47.1Very low81 Ų8195.2 Ų95.253%0.52656%0.557SS.*PPolyproline II helixtrans-57.7131.6179.925-33.7000108.3A226P224-A226 WeakPolarHBondContact O-CA 3.44Å; P224-A226 PolarHBondContact O-N 3.24Å
225L40.8Very low50Low111 Ų11193.2 Ų93.258%0.58154%0.535SS*.  trans-43.9104.7-165.7-16376.7000111.4P223 D227 T228P223-L225 PolarHBondContact O-N 2.81Å; L225-D227 PolarHBondContact O-N 2.88Å; L225-D227 VanDerWaalsContact O-N 3.08Å; L225-T228 PolarHBondContact O-N 2.92Å; L225-T228 VanDerWaalsContact O-N 3.09Å; L225-T228 PolarHBondContact O-OG1 2.99Å
226A38.3Very low52.6Low84 Ų8488.6 Ų88.669%0.69450%0.503SS*.THydrogen-bonded Turntrans-66.8-22.4-153.200000113.8P224 T228P224-A226 WeakPolarHBondContact O-CA 3.44Å; P224-A226 PolarHBondContact O-N 3.24Å; A226-T228 PolarHBondContact O-N 2.85Å
227D38.4Very low55.5Low133 Ų13381.2 Ų81.271%0.71146%0.464SS*.THydrogen-bonded Turntrans-71.2-12.7-178.8-42.8-69.6000112.5L225 N229L225-D227 PolarHBondContact O-N 2.88Å; L225-D227 VanDerWaalsContact O-N 3.08Å; D227-N229 PolarHBondContact O-N 3.1Å
228T48.3Very low58.3Low51 Ų5174.3 Ų74.331%0.31344%0.441SS..  trans-87.491.8-177.9-200000111.6L225 A226 L230L225-T228 PolarHBondContact O-N 2.92Å; L225-T228 VanDerWaalsContact O-N 3.09Å; L225-T228 PolarHBondContact O-OG1 2.99Å; A226-T228 PolarHBondContact O-N 2.85Å; T228-L230 HydrophobicContact CG2-CB 4.37Å; T228-L230 HydrophobicContact CG2-CD1 3.68Å; T228-L230 HydrophobicContact CG2-CG 3.99Å; T228-L230 PolarHBondContact O-N 2.84Å
229N55Low61.1Low128 Ų12868.3 Ų68.368%0.68441%0.409SS*.THydrogen-bonded Turntrans-63.836.4173.3-78.3-71.4000114.7R176 D227R176-N229 PolarHBondContact NH1-O 3.16Å; R176-N229 PolarHBondContact NH2-O 3.5Å; D227-N229 PolarHBondContact O-N 3.1Å
230L58.4Low63.6Low58 Ų5866 Ų6630%0.30439%0.392SS..THydrogen-bonded Turntrans-104.8-37176.1-67.4174.9000111.4F200 T228F200-L230 WeakPolarHBondContact CD2-O 3.39Å; F200-L230 HydrophobicContact CE1-CB 4.22Å; F200-L230 HydrophobicContact CE2-CB 4Å; F200-L230 HydrophobicContact CE2-CD2 3.85Å; F200-L230 HydrophobicContact CE2-CG 4.46Å; F200-L230 HydrophobicContact CZ-CB 3.69Å; F200-L230 HydrophobicContact CZ-CD1 4.26Å; F200-L230 HydrophobicContact CZ-CD2 3.91Å; F200-L230 HydrophobicContact CZ-CG 4.16Å; T228-L230 HydrophobicContact CG2-CB 4.37Å; T228-L230 HydrophobicContact CG2-CD1 3.68Å; T228-L230 HydrophobicContact CG2-CG 3.99Å; T228-L230 PolarHBondContact O-N 2.84Å
231F71.6Confident66.3Low46 Ų4666.4 Ų66.420%0.20238%0.382CS..SBendtrans-90.7144.8-179-58.9-69.8000111.3L81 M85 F200 A233L81-F231 HydrophobicContact CD1-CE2 3.7Å; L81-F231 HydrophobicContact CD1-CZ 3.83Å; L81-F231 HydrophobicContact CD2-CE2 4.03Å; L81-F231 HydrophobicContact CD2-CZ 4.03Å; L81-F231 HydrophobicContact CG-CE2 4.11Å; L81-F231 HydrophobicContact CG-CZ 3.88Å; M85-F231 HydrophobicContact CE-CE1 3.95Å; M85-F231 HydrophobicContact CE-CZ 4.43Å; M85-F231 HydrophobicContact CG-CD1 4.35Å; M85-F231 HydrophobicContact CG-CE1 3.85Å; M85-F231 HydrophobicContact SD-CE1 4.19Å; F200-F231 HydrophobicContact CD1-CD1 4.26Å; F200-F231 AromaticContact CD1-CE1 3.99Å; F200-F231 HydrophobicContact CD1-CE1 3.99Å; F200-F231 HydrophobicContact CE1-CD1 4.46Å; F200-F231 AromaticContact CE1-CE1 3.9Å; F200-F231 HydrophobicContact CE1-CE1 3.9Å; F200-F231 HydrophobicContact CE1-CZ 4.3Å; F231-A233 PolarHBondContact O-N 2.94Å
232L79.2Confident68.8Low18 Ų1865.2 Ų65.29%0.09437%0.369CS..  trans-80107.7177.1-169.467.9000109.7L150 L172 C234 Y330 I331 I332L150-L232 HydrophobicContact CD1-CD1 4.22Å; L150-L232 HydrophobicContact CD1-CD2 4.14Å; L172-L232 HydrophobicContact CD2-CD2 3.26Å; L172-L232 HydrophobicContact CG-CD2 4.29Å; L232-C234 PolarHBondContact O-N 2.7Å; L232-C234 PolarHBondContact O-SG 3.48Å; L232-C234 VanDerWaalsContact O-SG 3.36Å; L232-Y330 HydrophobicContact CD2-CD1 3.66Å; L232-Y330 HydrophobicContact CD2-CG 4.04Å; L232-Y330 HydrophobicContact CG-CD1 4.27Å; L232-I331 WeakPolarHBondContact CD1-O 3.25Å; L232-I332 HydrophobicContact CD1-CG2 4.39Å
233A86.1Confident71.6Confident31 Ų3159.7 Ų59.726%0.25634%0.335SS..  trans-53.9127176.900000110.7F231 Y255 I331F231-A233 PolarHBondContact O-N 2.94Å; A233-Y255 HydrophobicContact CB-CD1 4.5Å; A233-Y255 HydrophobicContact CB-CE1 3.79Å; A233-I331 HydrophobicContact CB-CB 4.18Å; A233-I331 HydrophobicContact CB-CD1 3.97Å; A233-I331 PolarHBondContact O-N 2.75Å
234C89.5Confident74.1Confident42 Ų4260.8 Ų60.828%0.28433%0.327SS..EExtended strand (participates in β ladder)trans-156.2160.8-174.858.10000113.5L232 N329 Y330L232-C234 PolarHBondContact O-N 2.7Å; L232-C234 PolarHBondContact O-SG 3.48Å; L232-C234 VanDerWaalsContact O-SG 3.36Å; C234-N329 CarbonylContact C-O 3.48Å; C234-N329 WeakPolarHBondContact CA-O 3.4Å; C234-N329 WeakPolarHBondContact CB-O 3.49Å; C234-Y330 HydrophobicContact CB-CD1 3.61Å; C234-Y330 HydrophobicContact CB-CE1 4.04Å; C234-Y330 HydrophobicContact CB-CG 4.38Å
235F90.4Very high76.5Confident4 Ų457.6 Ų57.62%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-148.514517464.2-86000111.6M252 Y255 L256 L312 N329 I331F235-M252 HydrophobicContact CD2-CB 3.94Å; F235-M252 HydrophobicContact CD2-CG 3.91Å; F235-M252 HydrophobicContact CD2-SD 4.15Å; F235-M252 HydrophobicContact CE2-CB 4.27Å; F235-M252 HydrophobicContact CE2-CE 3.7Å; F235-M252 HydrophobicContact CE2-CG 3.71Å; F235-M252 HydrophobicContact CE2-SD 3.74Å; F235-M252 HydrophobicContact CG-CB 4.18Å; F235-M252 HydrophobicContact CG-CG 4.42Å; F235-M252 HydrophobicContact CZ-CE 4Å; F235-M252 HydrophobicContact CZ-CG 4.05Å; F235-M252 HydrophobicContact CZ-SD 4.45Å; F235-Y255 HydrophobicContact CD1-CD2 4.03Å; F235-L256 HydrophobicContact CE1-CD1 4.23Å; F235-L256 HydrophobicContact CZ-CD1 3.82Å; F235-L312 HydrophobicContact CE1-CD1 4.3Å; F235-L312 HydrophobicContact CE1-CD2 4.09Å; F235-L312 HydrophobicContact CZ-CD1 3.91Å; F235-N329 HydrophobicContact CD1-CB 4.02Å; F235-N329 HydrophobicContact CD2-CB 4.07Å; F235-N329 HydrophobicContact CE1-CB 3.68Å; F235-N329 HydrophobicContact CE2-CB 3.72Å; F235-N329 HydrophobicContact CG-CB 4.2Å; F235-N329 HydrophobicContact CZ-CB 3.51Å; F235-N329 PolarHBondContact N-O 3.05Å; F235-N329 VanDerWaalsContact O-CB 3.32Å; F235-N329 WeakPolarHBondContact O-CB 3.35Å; F235-N329 PolarHBondContact O-N 3Å; F235-N329 PolarHBondContact O-ND2 3.48Å; F235-N329 VanDerWaalsContact O-ND2 3.09Å; F235-I331 HydrophobicContact CD1-CD1 4.27Å; F235-I331 HydrophobicContact CE1-CD1 4.38Å
236N90.9Very high78.8Confident35 Ų3556.2 Ų56.219%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-86.1143.1168.8-176.5-94000110.7A248 Q249 S326 S327 N328N236-A248 WeakPolarHBondContact O-CA 3.49Å; N236-Q249 HydrophobicContact CB-CG 4.24Å; N236-Q249 PolarHBondContact O-N 2.84Å; N236-S326 PolarHBondContact ND2-OG 3.29Å; N236-S327 CarbonylContact C-O 3.6Å; N236-S327 WeakPolarHBondContact CA-O 3.27Å; N236-S327 PolarHBondContact ND2-O 3.4Å; N236-N328 PolarHBondContact ND2-OD1 3.48Å
237S92.1Very high81.2Confident2 Ų253.9 Ų53.91%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-140152.1170.151.90000111.4H239 A247 S327 N329S237-H239 WeakPolarHBondContact CB-NE2 3.44Å; S237-H239 PolarHBondContact OG-NE2 3.22Å; S237-A247 CarbonylContact C-O 3.5Å; S237-A247 WeakPolarHBondContact CA-O 3.47Å; S237-S327 PolarHBondContact N-O 3.34Å; S237-S327 PolarHBondContact O-N 3.09Å; S237-N329 PolarHBondContact OG-ND2 2.85Å
238Q92.3Very high83.7Confident80 Ų8048.6 Ų48.637%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-118.8131.7179-63.9-178.519.600109.3Q246 A247 P324 I325Q238-Q246 WeakPolarHBondContact O-CB 3.04Å; Q238-Q246 PolarHBondContact O-N 3.32Å; Q238-A247 PolarHBondContact N-O 2.87Å; Q238-A247 PolarHBondContact O-N 2.82Å; Q238-P324 HydrophobicContact CB-CB 4.29Å; Q238-P324 HydrophobicContact CB-CG 4.37Å; Q238-I325 WeakPolarHBondContact CA-O 3.4Å
239H91.6Very high85.6Confident8 Ų850.7 Ų50.74%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-128.2143.7-172.3-54-96.7000111.5S237 M243 R244 P324 I325S237-H239 WeakPolarHBondContact CB-NE2 3.44Å; S237-H239 PolarHBondContact OG-NE2 3.22Å; H239-M243 HydrophobicContact CB-SD 4.01Å; H239-R244 CarbonylContact C-O 3.55Å; H239-R244 VanDerWaalsContact CA-O 3.28Å; H239-R244 WeakPolarHBondContact CA-O 3.36Å; H239-P324 CarbonylContact O-C 3.6Å; H239-P324 VanDerWaalsContact O-CA 3.26Å; H239-P324 WeakPolarHBondContact O-CA 3.47Å; H239-P324 WeakPolarHBondContact O-CB 3.33Å; H239-I325 HydrophobicContact CB-CB 4.38Å; H239-I325 PolarHBondContact N-O 2.85Å; H239-I325 PolarHBondContact O-N 3.13Å
240N90.9Very high87Confident67 Ų6750.9 Ų50.936%0.35826%0.258SS..  trans-62.3164.2165.9-70-22.5000110.7D242 M243 R244N240-D242 WeakPolarHBondContact CB-OD1 3.29Å; N240-D242 PolarHBondContact O-N 2.9Å; N240-M243 WeakPolarHBondContact O-CA 3.1Å; N240-M243 PolarHBondContact O-N 2.78Å; N240-R244 HydrophobicContact CB-CB 4.43Å; N240-R244 PolarHBondContact N-O 2.75Å
241R89.4Confident88.3Confident111 Ų11149.8 Ų49.842%0.41926%0.256SS..THydrogen-bonded Turntrans-66-1.1177.9-56.3-178.576.8110.4-1.1114.6H284 L288 G321R241-H284 PolarHBondContact O-NE2 3.23Å; R241-L288 HydrophobicContact CB-CD2 4.23Å; R241-G321 PolarHBondContact NH1-O 3.13Å
242D90.1Very high89.1Confident63 Ų6348.4 Ų48.434%0.33725%0.25SC..THydrogen-bonded Turntrans-101.36.2169.569.7-16000113.2N240 R244N240-D242 WeakPolarHBondContact CB-OD1 3.29Å; N240-D242 PolarHBondContact O-N 2.9Å; D242-R244 VanDerWaalsContact C-N 3.31Å; D242-R244 WeakPolarHBondContact OD1-CB 3.4Å; D242-R244 PolarHBondContact OD1-N 3.23Å; D242-R244 VanDerWaalsContact OD2-CD 3.3Å; D242-R244 WeakPolarHBondContact OD2-CD 3.38Å; D242-R244 WeakPolarHBondContact OD2-CG 3.37Å; D242-R244 IonicContact OD2-CZ 2.73Å; D242-R244 IonicContact OD2-NE 3.81Å; D242-R244 IonicContact OD2-NH1 3.59Å; D242-R244 PolarHBondContact OD2-NH1 3.03Å
243M92Very high89.6Confident0 Ų050.2 Ų50.20%026%0.262CS..SBendtrans59.928.6-169.5-68.8-68.4-64.300114.6H239 N240 W268 H284 M314 L316 I325H239-M243 HydrophobicContact CB-SD 4.01Å; N240-M243 WeakPolarHBondContact O-CA 3.1Å; N240-M243 PolarHBondContact O-N 2.78Å; M243-W268 HydrophobicContact CB-CB 4.17Å; M243-W268 HydrophobicContact CB-CD2 4.1Å; M243-W268 HydrophobicContact CB-CE3 3.58Å; M243-W268 HydrophobicContact CB-CG 4.4Å; M243-W268 HydrophobicContact CB-CZ3 4.2Å; M243-W268 HydrophobicContact CE-CD2 3.66Å; M243-W268 HydrophobicContact CE-CE3 3.89Å; M243-W268 HydrophobicContact CE-CG 4.16Å; M243-W268 HydrophobicContact CE-CH2 4.02Å; M243-W268 HydrophobicContact CE-CZ2 3.84Å; M243-W268 HydrophobicContact CE-CZ3 4.06Å; M243-W268 HydrophobicContact CG-CE3 3.9Å; M243-W268 HydrophobicContact CG-CZ3 4.01Å; M243-W268 WeakPolarHBondContact O-CB 3.38Å; M243-H284 WeakPolarHBondContact CG-CE1 3.43Å; M243-M314 HydrophobicContact CE-CE 4.28Å; M243-L316 HydrophobicContact CE-CD2 3.78Å; M243-L316 HydrophobicContact SD-CD2 3.9Å; M243-I325 HydrophobicContact SD-CD1 3.9Å
244R89.9Confident89.7Confident124 Ų12454.3 Ų54.347%0.46828%0.284SS..  trans-78135.1160.5-75.8-177.6167.5109-10110.9H239 N240 D242 Q246H239-R244 CarbonylContact C-O 3.55Å; H239-R244 VanDerWaalsContact CA-O 3.28Å; H239-R244 WeakPolarHBondContact CA-O 3.36Å; N240-R244 HydrophobicContact CB-CB 4.43Å; N240-R244 PolarHBondContact N-O 2.75Å; D242-R244 VanDerWaalsContact C-N 3.31Å; D242-R244 WeakPolarHBondContact OD1-CB 3.4Å; D242-R244 PolarHBondContact OD1-N 3.23Å; D242-R244 VanDerWaalsContact OD2-CD 3.3Å; D242-R244 WeakPolarHBondContact OD2-CD 3.38Å; D242-R244 WeakPolarHBondContact OD2-CG 3.37Å; D242-R244 IonicContact OD2-CZ 2.73Å; D242-R244 IonicContact OD2-NE 3.81Å; D242-R244 IonicContact OD2-NH1 3.59Å; D242-R244 PolarHBondContact OD2-NH1 3.03Å; R244-Q246 PolarHBondContact O-N 2.89Å
245L90.8Very high89.7Confident13 Ų1356 Ų567%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-65.4126.3176.6-171.672.7000110.9A247 A248 M252 V260 L263L245-A247 WeakPolarHBondContact CD1-O 3.37Å; L245-A248 HydrophobicContact CD1-CB 4.3Å; L245-A248 HydrophobicContact CD2-CB 4.38Å; L245-M252 HydrophobicContact CD2-SD 4.37Å; L245-V260 HydrophobicContact CD2-CG1 4.11Å; L245-L263 HydrophobicContact CD2-CB 3.51Å; L245-L263 HydrophobicContact CD2-CD1 4.06Å; L245-L263 HydrophobicContact CD2-CG 4.46Å
246Q89.8Confident89.7Confident82 Ų8256 Ų5638%0.38329%0.285SS..EExtended strand (participates in β ladder)trans-95.2-49172.6-170.2178.215.500110.5Q238 R244 R264 P324Q238-Q246 WeakPolarHBondContact O-CB 3.04Å; Q238-Q246 PolarHBondContact O-N 3.32Å; R244-Q246 PolarHBondContact O-N 2.89Å; Q246-R264 PolarHBondContact O-NE 2.95Å; Q246-R264 PolarHBondContact O-NH2 3Å; Q246-P324 VanDerWaalsContact OE1-CG 3.32Å
247A89.4Confident89.7Confident36 Ų3656.4 Ų56.430%0.29830%0.297SS..EExtended strand (participates in β ladder)trans-151.8159178.600000111.1S237 Q238 L245S237-A247 CarbonylContact C-O 3.5Å; S237-A247 WeakPolarHBondContact CA-O 3.47Å; Q238-A247 PolarHBondContact N-O 2.87Å; Q238-A247 PolarHBondContact O-N 2.82Å; L245-A247 WeakPolarHBondContact CD1-O 3.37Å
248A89.9Confident89.5Confident21 Ų2156.8 Ų56.817%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-146.7166.3170.500000109.9N236 L245 M252 V260N236-A248 WeakPolarHBondContact O-CA 3.49Å; L245-A248 HydrophobicContact CD1-CB 4.3Å; L245-A248 HydrophobicContact CD2-CB 4.38Å; A248-M252 HydrophobicContact CB-CB 4.3Å; A248-M252 HydrophobicContact CB-SD 3.47Å; A248-M252 WeakPolarHBondContact CB-SD 3.13Å; A248-V260 HydrophobicContact CB-CG1 4.24Å; A248-V260 HydrophobicContact CB-CG2 4.1Å
249Q88.4Confident89.3Confident96 Ų9656.5 Ų56.545%0.44930%0.299SS..  trans-71.9144.6166.1-68.8177.3-46.200110.7N236 S251 M252N236-Q249 HydrophobicContact CB-CG 4.24Å; N236-Q249 PolarHBondContact O-N 2.84Å; Q249-S251 PolarHBondContact O-N 2.93Å; Q249-S251 VanDerWaalsContact O-N 3.13Å; Q249-M252 WeakPolarHBondContact O-CB 3.37Å; Q249-M252 PolarHBondContact O-N 2.84Å
250D85Confident89Confident131 Ų13156.8 Ų56.870%0.70130%0.301SS*.THydrogen-bonded Turntrans-64-22.6-173.8-53.2-54.3000113.4M252 T253D250-M252 PolarHBondContact O-N 2.61Å; D250-M252 VanDerWaalsContact O-N 3.12Å; D250-T253 WeakPolarHBondContact O-CB 3.46Å; D250-T253 PolarHBondContact O-N 2.8Å; D250-T253 PolarHBondContact O-OG1 2.79Å
251S85.4Confident88.8Confident36 Ų3657.9 Ų57.925%0.25231%0.31SS..Hα-helixtrans-56.1-22.9170.357.20000113.5Q249 T253 V254 Y255Q249-S251 PolarHBondContact O-N 2.93Å; Q249-S251 VanDerWaalsContact O-N 3.13Å; S251-T253 PolarHBondContact O-N 3.2Å; S251-V254 WeakPolarHBondContact O-CB 3.3Å; S251-V254 PolarHBondContact O-N 3.02Å; S251-Y255 WeakPolarHBondContact O-CD2 3.47Å; S251-Y255 PolarHBondContact O-N 3.33Å
252M87.8Confident88.6Confident16 Ų1654.5 Ų54.58%0.07931%0.306CS..Hα-helixtrans-54.6-33.4171-170.4176.2-167.400112.4F235 L245 A248 Q249 D250 Y255 L256 L263F235-M252 HydrophobicContact CD2-CB 3.94Å; F235-M252 HydrophobicContact CD2-CG 3.91Å; F235-M252 HydrophobicContact CD2-SD 4.15Å; F235-M252 HydrophobicContact CE2-CB 4.27Å; F235-M252 HydrophobicContact CE2-CE 3.7Å; F235-M252 HydrophobicContact CE2-CG 3.71Å; F235-M252 HydrophobicContact CE2-SD 3.74Å; F235-M252 HydrophobicContact CG-CB 4.18Å; F235-M252 HydrophobicContact CG-CG 4.42Å; F235-M252 HydrophobicContact CZ-CE 4Å; F235-M252 HydrophobicContact CZ-CG 4.05Å; F235-M252 HydrophobicContact CZ-SD 4.45Å; L245-M252 HydrophobicContact CD2-SD 4.37Å; A248-M252 HydrophobicContact CB-CB 4.3Å; A248-M252 HydrophobicContact CB-SD 3.47Å; A248-M252 WeakPolarHBondContact CB-SD 3.13Å; Q249-M252 WeakPolarHBondContact O-CB 3.37Å; Q249-M252 PolarHBondContact O-N 2.84Å; D250-M252 PolarHBondContact O-N 2.61Å; D250-M252 VanDerWaalsContact O-N 3.12Å; M252-Y255 PolarHBondContact O-N 3.13Å; M252-L256 HydrophobicContact CE-CD1 3.57Å; M252-L256 HydrophobicContact CG-CD1 4.02Å; M252-L256 PolarHBondContact O-N 2.95Å; M252-L263 HydrophobicContact CE-CD1 3.45Å; M252-L263 VanDerWaalsContact CE-CD1 3.45Å; M252-L263 HydrophobicContact CG-CD1 4.5Å; M252-L263 HydrophobicContact SD-CD1 3.68Å
253T89.3Confident88.4Confident57 Ų5751.7 Ų51.735%0.3529%0.291SS..Hα-helixtrans-67.2-37.1177.9-42.70000111.6D250 S251 Y255 G257 Y258D250-T253 WeakPolarHBondContact O-CB 3.46Å; D250-T253 PolarHBondContact O-N 2.8Å; D250-T253 PolarHBondContact O-OG1 2.79Å; S251-T253 PolarHBondContact O-N 3.2Å; T253-Y255 VanDerWaalsContact C-N 3.33Å; T253-G257 WeakPolarHBondContact O-CA 3.34Å; T253-G257 PolarHBondContact O-N 3.31Å; T253-Y258 WeakPolarHBondContact CA-O 3.47Å; T253-Y258 PolarHBondContact OG1-O 2.68Å
254V89.5Confident88.1Confident117 Ų11757.4 Ų57.471%0.70931%0.313SS*.Hα-helixtrans-65.9-38.1177.6-175.80000110.9S251S251-V254 WeakPolarHBondContact O-CB 3.3Å; S251-V254 PolarHBondContact O-N 3.02Å
255Y88.6Confident87.7Confident77 Ų7756.1 Ų56.130%0.30232%0.323SS..Hα-helixtrans-93.2-24.3-172.1-57.9-50.7000115.4A233 F235 S251 M252 T253 I331A233-Y255 HydrophobicContact CB-CD1 4.5Å; A233-Y255 HydrophobicContact CB-CE1 3.79Å; F235-Y255 HydrophobicContact CD1-CD2 4.03Å; S251-Y255 WeakPolarHBondContact O-CD2 3.47Å; S251-Y255 PolarHBondContact O-N 3.33Å; M252-Y255 PolarHBondContact O-N 3.13Å; T253-Y255 VanDerWaalsContact C-N 3.33Å; Y255-I331 VanDerWaalsContact CB-CD1 3.46Å; Y255-I331 HydrophobicContact CD1-CD1 3.65Å; Y255-I331 HydrophobicContact CD2-CD1 3.37Å; Y255-I331 HydrophobicContact CE1-CD1 4.17Å; Y255-I331 HydrophobicContact CE2-CD1 3.91Å; Y255-I331 HydrophobicContact CG-CD1 3.21Å
256L91.3Very high87.4Confident4 Ų460.6 Ų60.62%0.02134%0.339CS..Hα-helixtrans-124.1-1.9-177.7-64174000113.3F235 M252 Y258 V302 A304 H305 V310F235-L256 HydrophobicContact CE1-CD1 4.23Å; F235-L256 HydrophobicContact CZ-CD1 3.82Å; M252-L256 HydrophobicContact CE-CD1 3.57Å; M252-L256 HydrophobicContact CG-CD1 4.02Å; M252-L256 PolarHBondContact O-N 2.95Å; L256-Y258 HydrophobicContact CB-CD2 4.31Å; L256-Y258 VanDerWaalsContact O-CD2 3.24Å; L256-Y258 WeakPolarHBondContact O-CD2 3.49Å; L256-Y258 PolarHBondContact O-N 3.29Å; L256-Y258 VanDerWaalsContact O-N 3.11Å; L256-V302 HydrophobicContact CD1-CG1 4.46Å; L256-V302 HydrophobicContact CD2-CG1 4.44Å; L256-A304 HydrophobicContact CD2-CB 4.35Å; L256-A304 CarbonylContact O-C 3.58Å; L256-A304 WeakPolarHBondContact O-CA 3.3Å; L256-A304 WeakPolarHBondContact O-CB 3.47Å; L256-H305 PolarHBondContact O-N 3.04Å; L256-V310 HydrophobicContact CD2-CB 3.79Å; L256-V310 HydrophobicContact CD2-CG1 4.1Å; L256-V310 HydrophobicContact CD2-CG2 3.92Å
257G90.5Very high87.3Confident43 Ų4359.2 Ų59.244%0.44334%0.338SS..SBendtrans66.46.5-17900000115.1T253 H305T253-G257 WeakPolarHBondContact O-CA 3.34Å; T253-G257 PolarHBondContact O-N 3.31Å; G257-H305 VanDerWaalsContact O-CB 3.27Å; G257-H305 WeakPolarHBondContact O-CB 3.26Å
258Y88.1Confident87.5Confident11 Ų1158.3 Ų58.34%0.04333%0.327CS..  trans-108.4130.9-177-77.9-71.4000111.9T253 L256 L263 R266 Q303 A304 H305T253-Y258 WeakPolarHBondContact CA-O 3.47Å; T253-Y258 PolarHBondContact OG1-O 2.68Å; L256-Y258 HydrophobicContact CB-CD2 4.31Å; L256-Y258 VanDerWaalsContact O-CD2 3.24Å; L256-Y258 WeakPolarHBondContact O-CD2 3.49Å; L256-Y258 PolarHBondContact O-N 3.29Å; L256-Y258 VanDerWaalsContact O-N 3.11Å; Y258-L263 HydrophobicContact CD1-CD2 4.15Å; Y258-L263 HydrophobicContact CD1-CG 4.47Å; Y258-L263 HydrophobicContact CD2-CD2 4.03Å; Y258-L263 HydrophobicContact CG-CD1 4.37Å; Y258-L263 HydrophobicContact CG-CD2 3.81Å; Y258-L263 HydrophobicContact CG-CG 4.09Å; Y258-R266 PolarHBondContact OH-NH1 2.75Å; Y258-Q303 WeakPolarHBondContact CE2-O 3.45Å; Y258-A304 PolarHBondContact OH-O 3.17Å; Y258-H305 HydrophobicContact CD1-CB 4.21Å; Y258-H305 AromaticContact CD1-CD2 3.91Å; Y258-H305 HydrophobicContact CD2-CB 4.14Å; Y258-H305 HydrophobicContact CE1-CB 4.16Å; Y258-H305 AromaticContact CE1-CD2 3.72Å; Y258-H305 HydrophobicContact CE2-CB 4.1Å; Y258-H305 VanDerWaalsContact CE2-N 3.28Å; Y258-H305 HydrophobicContact CG-CB 4.19Å
259D87.6Confident87.7Confident74 Ų7460.8 Ų60.840%0.39633%0.332SS..  trans-67.5145.4162.7161.853.3000111.9T261 A262 L263D259-T261 VanDerWaalsContact C-N 3.28Å; D259-T261 VanDerWaalsContact CG-N 3.32Å; D259-T261 PolarHBondContact O-N 3.19Å; D259-T261 PolarHBondContact OD1-N 3.02Å; D259-T261 WeakPolarHBondContact OD2-CA 3.49Å; D259-T261 WeakPolarHBondContact OD2-CB 3.18Å; D259-T261 WeakPolarHBondContact OD2-CG2 3.2Å; D259-T261 PolarHBondContact OD2-N 3.24Å; D259-T261 PolarHBondContact OD2-OG1 2.84Å; D259-A262 PolarHBondContact O-N 3.21Å; D259-A262 PolarHBondContact OD2-N 3.08Å; D259-L263 PolarHBondContact O-N 2.92Å
260V85.9Confident87.9Confident13 Ų1359.1 Ų59.18%0.07934%0.341CS..Hα-helixtrans-59.5-35178.5-172.60000111.8L245 A248 R264L245-V260 HydrophobicContact CD2-CG1 4.11Å; A248-V260 HydrophobicContact CB-CG1 4.24Å; A248-V260 HydrophobicContact CB-CG2 4.1Å; V260-R264 PolarHBondContact O-N 2.98Å; V260-R264 VanDerWaalsContact O-N 3.12Å
261T86.3Confident88.3Confident90 Ų9053.7 Ų53.755%0.55231%0.312SS*.Hα-helixtrans-70.8-38178.886.10000112.1D259 R264D259-T261 VanDerWaalsContact C-N 3.28Å; D259-T261 VanDerWaalsContact CG-N 3.32Å; D259-T261 PolarHBondContact O-N 3.19Å; D259-T261 PolarHBondContact OD1-N 3.02Å; D259-T261 WeakPolarHBondContact OD2-CA 3.49Å; D259-T261 WeakPolarHBondContact OD2-CB 3.18Å; D259-T261 WeakPolarHBondContact OD2-CG2 3.2Å; D259-T261 PolarHBondContact OD2-N 3.24Å; D259-T261 PolarHBondContact OD2-OG1 2.84Å; T261-R264 PolarHBondContact O-N 3.3Å
262A85.3Confident88.8Confident40 Ų4052.3 Ų52.333%0.33130%0.302SS..Hα-helixtrans-62.9-44174.700000111.5D259 S265D259-A262 PolarHBondContact O-N 3.21Å; D259-A262 PolarHBondContact OD2-N 3.08Å; A262-S265 PolarHBondContact O-N 3.15Å; A262-S265 PolarHBondContact O-OG 3.16Å
263L85Confident89.3Confident5 Ų553.2 Ų53.23%0.02631%0.306CS..Hα-helixtrans-67.3-34.3179.9-71169.2000113.7L245 M252 Y258 D259 S265 R266 L271L245-L263 HydrophobicContact CD2-CB 3.51Å; L245-L263 HydrophobicContact CD2-CD1 4.06Å; L245-L263 HydrophobicContact CD2-CG 4.46Å; M252-L263 HydrophobicContact CE-CD1 3.45Å; M252-L263 VanDerWaalsContact CE-CD1 3.45Å; M252-L263 HydrophobicContact CG-CD1 4.5Å; M252-L263 HydrophobicContact SD-CD1 3.68Å; Y258-L263 HydrophobicContact CD1-CD2 4.15Å; Y258-L263 HydrophobicContact CD1-CG 4.47Å; Y258-L263 HydrophobicContact CD2-CD2 4.03Å; Y258-L263 HydrophobicContact CG-CD1 4.37Å; Y258-L263 HydrophobicContact CG-CD2 3.81Å; Y258-L263 HydrophobicContact CG-CG 4.09Å; D259-L263 PolarHBondContact O-N 2.92Å; L263-S265 PolarHBondContact O-N 3.24Å; L263-S265 VanDerWaalsContact O-N 3.1Å; L263-R266 PolarHBondContact O-N 3.41Å; L263-L271 HydrophobicContact CD2-CD1 3.54Å; L263-L271 HydrophobicContact CD2-CD2 4.41Å
264R85.4Confident89.6Confident120 Ų12054.8 Ų54.845%0.45332%0.317SS..Hα-helixtrans-56.4-24.9175.1-173.6178.6-64.5122.80.3113.3Q246 V260 T261Q246-R264 PolarHBondContact O-NE 2.95Å; Q246-R264 PolarHBondContact O-NH2 3Å; V260-R264 PolarHBondContact O-N 2.98Å; V260-R264 VanDerWaalsContact O-N 3.12Å; T261-R264 PolarHBondContact O-N 3.3Å
265S82.2Confident90Very high96 Ų9655.4 Ų55.467%0.67131%0.312SS*.THydrogen-bonded Turntrans-80.8-17.5175.776.50000114.4A262 L263A262-S265 PolarHBondContact O-N 3.15Å; A262-S265 PolarHBondContact O-OG 3.16Å; L263-S265 PolarHBondContact O-N 3.24Å; L263-S265 VanDerWaalsContact O-N 3.1Å
266R84.7Confident90.4Very high107 Ų10752 Ų5240%0.40430%0.299SS..SBendtrans-100.3158.6-173.1-62.8-173178.4-170.73.8111.7Y258 L263Y258-R266 PolarHBondContact OH-NH1 2.75Å; L263-R266 PolarHBondContact O-N 3.41Å
267S87.5Confident90.6Very high53 Ų5354.6 Ų54.637%0.37131%0.313SS..  trans-85.1133.1165.8177.60000109Y269 G270S267-Y269 PolarHBondContact O-N 2.97Å; S267-Y269 PolarHBondContact OG-N 3.39Å; S267-G270 WeakPolarHBondContact O-CA 3.47Å; S267-G270 PolarHBondContact O-N 3.49Å
268W92.7Very high90.9Very high18 Ų1856.6 Ų56.67%0.06832%0.32CS..G310 helixtrans-55.6-39.5174.1169.677.7000112.2M243 G270 L271 L272 A280 M298 M314M243-W268 HydrophobicContact CB-CB 4.17Å; M243-W268 HydrophobicContact CB-CD2 4.1Å; M243-W268 HydrophobicContact CB-CE3 3.58Å; M243-W268 HydrophobicContact CB-CG 4.4Å; M243-W268 HydrophobicContact CB-CZ3 4.2Å; M243-W268 HydrophobicContact CE-CD2 3.66Å; M243-W268 HydrophobicContact CE-CE3 3.89Å; M243-W268 HydrophobicContact CE-CG 4.16Å; M243-W268 HydrophobicContact CE-CH2 4.02Å; M243-W268 HydrophobicContact CE-CZ2 3.84Å; M243-W268 HydrophobicContact CE-CZ3 4.06Å; M243-W268 HydrophobicContact CG-CE3 3.9Å; M243-W268 HydrophobicContact CG-CZ3 4.01Å; M243-W268 WeakPolarHBondContact O-CB 3.38Å; W268-G270 PolarHBondContact O-N 2.84Å; W268-G270 VanDerWaalsContact O-N 3.13Å; W268-L271 WeakPolarHBondContact O-CB 3.41Å; W268-L271 PolarHBondContact O-N 3.4Å; W268-L272 HydrophobicContact CD2-CD1 4.07Å; W268-L272 HydrophobicContact CD2-CD2 4.47Å; W268-L272 HydrophobicContact CD2-CG 4.27Å; W268-L272 HydrophobicContact CE3-CD1 3.97Å; W268-L272 HydrophobicContact CH2-CD1 3.82Å; W268-L272 HydrophobicContact CZ2-CD1 3.86Å; W268-L272 HydrophobicContact CZ2-CD2 4.07Å; W268-L272 HydrophobicContact CZ2-CG 4.41Å; W268-L272 HydrophobicContact CZ3-CD1 3.86Å; W268-L272 PolarHBondContact O-N 3.24Å; W268-A280 HydrophobicContact CH2-CB 3.81Å; W268-A280 HydrophobicContact CZ3-CB 4.3Å; W268-M298 HydrophobicContact CH2-CE 4.11Å; W268-M298 HydrophobicContact CH2-SD 3.67Å; W268-M298 HydrophobicContact CZ2-SD 3.87Å; W268-M314 HydrophobicContact CZ2-CE 4.02Å; W268-M314 HydrophobicContact CZ2-SD 3.78Å
269Y95.2Very high91.2Very high72 Ų7258.8 Ų58.828%0.28233%0.331SS..G310 helixtrans-60-22.9173.4-65.4-72.6000113.9S267 L271 L272 L277 H284S267-Y269 PolarHBondContact O-N 2.97Å; S267-Y269 PolarHBondContact OG-N 3.39Å; Y269-L271 VanDerWaalsContact C-N 3.3Å; Y269-L272 HydrophobicContact CD1-CD1 4.21Å; Y269-L277 HydrophobicContact CD1-CD2 4.13Å; Y269-L277 WeakPolarHBondContact O-CD2 3.47Å; Y269-H284 AromaticContact CZ-ND1 3.83Å; Y269-H284 PolarHBondContact OH-ND1 3.08Å
270G92.6Very high91.6Very high62 Ų6255.3 Ų55.364%0.63931%0.312SS*.G310 helixtrans-81.7-6.517400000114.2S267 W268S267-G270 WeakPolarHBondContact O-CA 3.47Å; S267-G270 PolarHBondContact O-N 3.49Å; W268-G270 PolarHBondContact O-N 2.84Å; W268-G270 VanDerWaalsContact O-N 3.13Å
271L93Very high92.1Very high16 Ų1655.5 Ų55.58%0.08431%0.314CS..THydrogen-bonded Turntrans-105.1-14174.8-54.6170.5000112L263 W268 Y269 V302 Q303L263-L271 HydrophobicContact CD2-CD1 3.54Å; L263-L271 HydrophobicContact CD2-CD2 4.41Å; W268-L271 WeakPolarHBondContact O-CB 3.41Å; W268-L271 PolarHBondContact O-N 3.4Å; Y269-L271 VanDerWaalsContact C-N 3.3Å; L271-V302 HydrophobicContact CB-CG1 4.08Å; L271-V302 CarbonylContact O-C 3.57Å; L271-V302 WeakPolarHBondContact O-CA 3.4Å; L271-Q303 PolarHBondContact O-N 3.44Å
272L96.8Very high92.5Very high8 Ų853.9 Ų53.94%0.04231%0.31CS..BIsolated β-bridgetrans-78.3144.5-179.5-67.9-175.1000112.2W268 Y269 L277 A280 V300 R301 V302W268-L272 HydrophobicContact CD2-CD1 4.07Å; W268-L272 HydrophobicContact CD2-CD2 4.47Å; W268-L272 HydrophobicContact CD2-CG 4.27Å; W268-L272 HydrophobicContact CE3-CD1 3.97Å; W268-L272 HydrophobicContact CH2-CD1 3.82Å; W268-L272 HydrophobicContact CZ2-CD1 3.86Å; W268-L272 HydrophobicContact CZ2-CD2 4.07Å; W268-L272 HydrophobicContact CZ2-CG 4.41Å; W268-L272 HydrophobicContact CZ3-CD1 3.86Å; W268-L272 PolarHBondContact O-N 3.24Å; Y269-L272 HydrophobicContact CD1-CD1 4.21Å; L272-L277 HydrophobicContact CB-CD2 3.77Å; L272-L277 HydrophobicContact CD1-CD2 4.09Å; L272-A280 HydrophobicContact CD1-CB 3.5Å; L272-V300 HydrophobicContact CD2-CB 4.01Å; L272-V300 HydrophobicContact CD2-CG2 3.75Å; L272-R301 WeakPolarHBondContact CA-O 3.12Å; L272-V302 HydrophobicContact CD2-CG2 4.09Å
273H97Very high92.9Very high34 Ų3453.6 Ų53.616%0.15730%0.301CS..  trans-62.8134.1171.7-173.1-108.2000111Q275 D276 R301 W309H273-Q275 VanDerWaalsContact CE1-CD 3.41Å; H273-Q275 PolarHBondContact CE1-OE1 3.08Å; H273-Q275 PolarHBondContact O-N 3.23Å; H273-D276 PolarHBondContact O-N 3.28Å; H273-R301 HydrophobicContact CB-CB 3.66Å; H273-R301 PolarHBondContact N-O 2.87Å; H273-R301 PolarHBondContact ND1-NH2 2.71Å; H273-W309 VanDerWaalsContact CA-CZ3 3.46Å; H273-W309 HydrophobicContact CB-CD2 4.44Å; H273-W309 HydrophobicContact CB-CE3 3.83Å; H273-W309 HydrophobicContact CB-CH2 4.1Å; H273-W309 HydrophobicContact CB-CZ3 3.62Å; H273-W309 AromaticContact CD2-CD2 3.96Å; H273-W309 AromaticContact CD2-CE2 3.69Å; H273-W309 AromaticContact CD2-CH2 3.87Å; H273-W309 AromaticContact CD2-CZ2 3.66Å
274P97Very high93.4Very high90 Ų9053.8 Ų53.858%0.58430%0.302SS*.THydrogen-bonded Turntrans-55.9-31.2-171.1-3136.8000115.9D276 L277P274-D276 VanDerWaalsContact C-N 3.28Å; P274-D276 PolarHBondContact O-N 3.39Å; P274-L277 HydrophobicContact CB-CD1 4.48Å
275Q97.1Very high93.7Very high131 Ų13155.6 Ų55.661%0.61231%0.309SS*.THydrogen-bonded Turntrans-65.8-29175.9-66.6172.5-9.200113.2H273H273-Q275 VanDerWaalsContact CE1-CD 3.41Å; H273-Q275 PolarHBondContact CE1-OE1 3.08Å; H273-Q275 PolarHBondContact O-N 3.23Å
276D96.9Very high94.1Very high4 Ų453.8 Ų53.82%0.02130%0.297CS..THydrogen-bonded Turntrans-89.5-12.6-172.7-60.2-29.3000112.3H273 P274 S278 H279 A280 V300 R301 R341H273-D276 PolarHBondContact O-N 3.28Å; P274-D276 VanDerWaalsContact C-N 3.28Å; P274-D276 PolarHBondContact O-N 3.39Å; D276-S278 VanDerWaalsContact C-N 3.28Å; D276-S278 PolarHBondContact O-N 3.25Å; D276-H279 PolarHBondContact O-N 3.01Å; D276-A280 VanDerWaalsContact O-CB 3.26Å; D276-A280 WeakPolarHBondContact O-CB 3.47Å; D276-A280 PolarHBondContact O-N 2.83Å; D276-V300 HydrophobicContact CB-CB 4.32Å; D276-V300 HydrophobicContact CB-CG1 4.26Å; D276-R301 VanDerWaalsContact CG-NH2 3.32Å; D276-R301 IonicContact OD1-CZ 3.89Å; D276-R301 IonicContact OD1-NE 3.4Å; D276-R301 IonicContact OD1-NH2 3.23Å; D276-R301 PolarHBondContact OD1-NH2 3.44Å; D276-R301 IonicContact OD2-CZ 2.74Å; D276-R301 PolarHBondContact OD2-N 2.71Å; D276-R301 IonicContact OD2-NE 3.23Å; D276-R301 PolarHBondContact OD2-NE 2.84Å; D276-R301 IonicContact OD2-NH2 2.72Å; D276-R301 PolarHBondContact OD2-NH2 3.16Å; D276-R341 VanDerWaalsContact CG-NH2 3.28Å; D276-R341 IonicContact OD1-CZ 2.85Å; D276-R341 IonicContact OD1-NH1 3.66Å; D276-R341 IonicContact OD1-NH2 3.4Å; D276-R341 PolarHBondContact OD1-NH2 3.38Å; D276-R341 IonicContact OD2-NH2 3.09Å
277L96.6Very high94.4Very high59 Ų5948.9 Ų48.931%0.30928%0.278SS..Hα-helixtrans-57.7-34.3-178.3-68.3174.6000114.1Y269 L272 P274 S281Y269-L277 HydrophobicContact CD1-CD2 4.13Å; Y269-L277 WeakPolarHBondContact O-CD2 3.47Å; L272-L277 HydrophobicContact CB-CD2 3.77Å; L272-L277 HydrophobicContact CD1-CD2 4.09Å; P274-L277 HydrophobicContact CB-CD1 4.48Å; L277-S281 WeakPolarHBondContact O-CB 3.39Å; L277-S281 PolarHBondContact O-N 2.77Å; L277-S281 PolarHBondContact O-OG 3.35Å
278S96Very high94.6Very high85 Ų8548.9 Ų48.959%0.59427%0.274SS*.Hα-helixtrans-67-51.9177.954.90000110.9D276 S281 A282D276-S278 VanDerWaalsContact C-N 3.28Å; D276-S278 PolarHBondContact O-N 3.25Å; S278-S281 PolarHBondContact O-OG 3.22Å; S278-A282 VanDerWaalsContact O-CB 3.3Å; S278-A282 WeakPolarHBondContact O-CB 3.34Å; S278-A282 PolarHBondContact O-N 2.97Å
279H95.1Very high94.3Very high58 Ų5856.4 Ų56.427%0.26930%0.302SS..Hα-helixtrans-60.6-51.4175.1173.776.2000111.7D276 S281 A282 Q283 M298D276-H279 PolarHBondContact O-N 3.01Å; H279-S281 PolarHBondContact O-N 3.45Å; H279-A282 PolarHBondContact O-N 2.95Å; H279-A282 VanDerWaalsContact O-N 3.17Å; H279-Q283 PolarHBondContact O-N 3.02Å; H279-M298 WeakPolarHBondContact NE2-CB 3.35Å
280A96.4Very high93.5Very high0 Ų061.9 Ų61.90%033%0.33CS..Hα-helixtrans-59.2-46.8-178.700000112.3W268 L272 D276 Q283 H284 M298 V300W268-A280 HydrophobicContact CH2-CB 3.81Å; W268-A280 HydrophobicContact CZ3-CB 4.3Å; L272-A280 HydrophobicContact CD1-CB 3.5Å; D276-A280 VanDerWaalsContact O-CB 3.26Å; D276-A280 WeakPolarHBondContact O-CB 3.47Å; D276-A280 PolarHBondContact O-N 2.83Å; A280-Q283 PolarHBondContact O-N 2.77Å; A280-H284 VanDerWaalsContact O-CB 3.31Å; A280-H284 WeakPolarHBondContact O-CB 3.45Å; A280-H284 PolarHBondContact O-N 2.82Å; A280-M298 HydrophobicContact CB-SD 4.11Å; A280-V300 HydrophobicContact CB-CG1 4.08Å
281S95.7Very high92.4Very high18 Ų1863.2 Ų63.213%0.12634%0.344CS..Hα-helixtrans-72.7-27.1177.872.20000112.9L277 S278 H279 R285L277-S281 WeakPolarHBondContact O-CB 3.39Å; L277-S281 PolarHBondContact O-N 2.77Å; L277-S281 PolarHBondContact O-OG 3.35Å; S278-S281 PolarHBondContact O-OG 3.22Å; H279-S281 PolarHBondContact O-N 3.45Å; S281-R285 WeakPolarHBondContact O-CB 3.49Å; S281-R285 VanDerWaalsContact O-CG 3.23Å; S281-R285 WeakPolarHBondContact O-CG 3.44Å; S281-R285 PolarHBondContact O-N 3.46Å; S281-R285 VanDerWaalsContact O-N 3.08Å; S281-R285 PolarHBondContact O-NH1 3.23Å; S281-R285 PolarHBondContact OG-NH1 3.17Å
282A93.9Very high91.3Very high56 Ų5664.7 Ų64.746%0.46336%0.363SS..Hα-helixtrans-68.4-47.317200000111.1S278 H279 R285 S286S278-A282 VanDerWaalsContact O-CB 3.3Å; S278-A282 WeakPolarHBondContact O-CB 3.34Å; S278-A282 PolarHBondContact O-N 2.97Å; H279-A282 PolarHBondContact O-N 2.95Å; H279-A282 VanDerWaalsContact O-N 3.17Å; A282-R285 PolarHBondContact O-N 3.35Å; A282-S286 PolarHBondContact O-N 2.89Å
283Q94.4Very high90.1Very high33 Ų3372.1 Ų72.115%0.15440%0.398CS..Hα-helixtrans-63.3-45.1177-75.7-65.3-6.900112H279 A280 R285 S286 L287 S296 M298H279-Q283 PolarHBondContact O-N 3.02Å; A280-Q283 PolarHBondContact O-N 2.77Å; Q283-R285 PolarHBondContact O-N 3.5Å; Q283-S286 CarbonylContact O-C 3.57Å; Q283-S286 WeakPolarHBondContact O-CA 3.36Å; Q283-S286 VanDerWaalsContact O-CB 3.3Å; Q283-S286 WeakPolarHBondContact O-CB 3.4Å; Q283-S286 PolarHBondContact O-N 2.97Å; Q283-L287 PolarHBondContact O-N 2.87Å; Q283-S296 PolarHBondContact O-OG 3.29Å; Q283-S296 PolarHBondContact OE1-OG 2.91Å; Q283-M298 HydrophobicContact CB-CB 4.25Å; Q283-M298 HydrophobicContact CB-CE 3.61Å; Q283-M298 HydrophobicContact CB-SD 4.43Å; Q283-M298 HydrophobicContact CG-CB 4.11Å
284H94.3Very high89.5Confident9 Ų971.1 Ų71.14%0.04240%0.397CS..Hα-helixtrans-62.1-39.5175179.9-152.4000113R241 M243 Y269 A280 S286 L287 L288R241-H284 PolarHBondContact O-NE2 3.23Å; M243-H284 WeakPolarHBondContact CG-CE1 3.43Å; Y269-H284 AromaticContact CZ-ND1 3.83Å; Y269-H284 PolarHBondContact OH-ND1 3.08Å; A280-H284 VanDerWaalsContact O-CB 3.31Å; A280-H284 WeakPolarHBondContact O-CB 3.45Å; A280-H284 PolarHBondContact O-N 2.82Å; H284-S286 VanDerWaalsContact C-N 3.25Å; H284-S286 PolarHBondContact O-N 2.91Å; H284-L287 WeakPolarHBondContact O-CB 3.48Å; H284-L287 PolarHBondContact O-N 3.33Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.47Å; H284-L288 PolarHBondContact O-N 3.45Å; H284-L288 VanDerWaalsContact O-N 3.11Å
285R92.4Very high89.1Confident159 Ų15969.3 Ų69.360%0.638%0.378SS*.Hα-helixtrans-66.2-25.7171.2-73.5-179.9-159.494.5-6.5113.2S281 A282 Q283S281-R285 WeakPolarHBondContact O-CB 3.49Å; S281-R285 VanDerWaalsContact O-CG 3.23Å; S281-R285 WeakPolarHBondContact O-CG 3.44Å; S281-R285 PolarHBondContact O-N 3.46Å; S281-R285 VanDerWaalsContact O-N 3.08Å; S281-R285 PolarHBondContact O-NH1 3.23Å; S281-R285 PolarHBondContact OG-NH1 3.17Å; A282-R285 PolarHBondContact O-N 3.35Å; Q283-R285 PolarHBondContact O-N 3.5Å
286S90.9Very high88.9Confident58 Ų5863.3 Ų63.341%0.40635%0.351SS..Hα-helixtrans-75.4-42.2173.4-156.70000111.4A282 Q283 H284 L288 R289A282-S286 PolarHBondContact O-N 2.89Å; Q283-S286 CarbonylContact O-C 3.57Å; Q283-S286 WeakPolarHBondContact O-CA 3.36Å; Q283-S286 VanDerWaalsContact O-CB 3.3Å; Q283-S286 WeakPolarHBondContact O-CB 3.4Å; Q283-S286 PolarHBondContact O-N 2.97Å; H284-S286 VanDerWaalsContact C-N 3.25Å; H284-S286 PolarHBondContact O-N 2.91Å; S286-L288 VanDerWaalsContact C-N 3.33Å; S286-L288 PolarHBondContact O-N 2.85Å; S286-R289 VanDerWaalsContact O-CB 3.27Å; S286-R289 WeakPolarHBondContact O-CB 3.45Å; S286-R289 PolarHBondContact O-N 2.78Å; S286-R289 VanDerWaalsContact O-N 3.16Å
287L91.8Very high88.8Confident3 Ų364 Ų642%0.01635%0.354CS..Hα-helixtrans-57.8-42.4175.6-178.265.6000112.5Q283 H284 R289 G294 L316 L318 I325Q283-L287 PolarHBondContact O-N 2.87Å; H284-L287 WeakPolarHBondContact O-CB 3.48Å; H284-L287 PolarHBondContact O-N 3.33Å; L287-R289 VanDerWaalsContact C-N 3.28Å; L287-R289 PolarHBondContact O-N 3.09Å; L287-G294 WeakPolarHBondContact CD1-O 3.35Å; L287-L316 HydrophobicContact CD1-CB 4.39Å; L287-L316 HydrophobicContact CD2-CB 3.72Å; L287-L316 HydrophobicContact CD2-CD2 4.01Å; L287-L318 HydrophobicContact CD1-CB 3.91Å; L287-L318 HydrophobicContact CG-CB 4.17Å; L287-L318 WeakPolarHBondContact O-CD2 2.95Å; L287-I325 HydrophobicContact CD2-CD1 3.92Å; L287-I325 HydrophobicContact CD2-CG1 4.15Å; L287-I325 HydrophobicContact CD2-CG2 3.82Å
288L90.4Very high88.7Confident54 Ų5461.2 Ų61.228%0.28334%0.339SS..THydrogen-bonded Turntrans-79.7-1.2179.5-66.9-178.8000114.4R241 H284 S286 E290 L318 I325R241-L288 HydrophobicContact CB-CD2 4.23Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.47Å; H284-L288 PolarHBondContact O-N 3.45Å; H284-L288 VanDerWaalsContact O-N 3.11Å; S286-L288 VanDerWaalsContact C-N 3.33Å; S286-L288 PolarHBondContact O-N 2.85Å; L288-E290 PolarHBondContact O-N 2.97Å; L288-L318 HydrophobicContact CD2-CD1 4.12Å; L288-I325 HydrophobicContact CD2-CD1 4.42Å
289R87.8Confident88.8Confident175 Ų17557.1 Ų57.166%0.6631%0.311SS*.  trans-72.9122-175.8-171.8-177.7-63.4-146.51.5110.9S286 L287 G292S286-R289 VanDerWaalsContact O-CB 3.27Å; S286-R289 WeakPolarHBondContact O-CB 3.45Å; S286-R289 PolarHBondContact O-N 2.78Å; S286-R289 VanDerWaalsContact O-N 3.16Å; L287-R289 VanDerWaalsContact C-N 3.28Å; L287-R289 PolarHBondContact O-N 3.09Å; R289-G292 PolarHBondContact O-N 2.85Å; R289-G292 VanDerWaalsContact O-N 3.09Å
290E78.3Confident88.9Confident188 Ų18854.4 Ų54.488%0.87930%0.298SS*.THydrogen-bonded Turntrans-56.9138.6173-63.2-178.4172.800111.3L288 G292L288-E290 PolarHBondContact O-N 2.97Å; E290-G292 PolarHBondContact O-N 3.41Å
291G69.6Low89Confident90 Ų9056.2 Ų56.293%0.92831%0.305SS*.THydrogen-bonded Turntrans76-1-174.500000115.5
292G68.4Low89Confident47 Ų4755.7 Ų55.749%0.48530%0.301SS..SBendtrans-76.8170169.600000113.4R289 E290 G294R289-G292 PolarHBondContact O-N 2.85Å; R289-G292 VanDerWaalsContact O-N 3.09Å; E290-G292 PolarHBondContact O-N 3.41Å; G292-G294 PolarHBondContact O-N 3.05Å; G292-G294 VanDerWaalsContact O-N 3.08Å
293E72.9Confident89.1Confident163 Ų16355.4 Ų55.476%0.76229%0.29SS*.  trans-64.2-9.8177-170.2173.9-157.500113.7R295E293-R295 HydrophobicContact CG-CB 4.28Å; E293-R295 PolarHBondContact O-N 3.37Å
294G84.6Confident89Confident14 Ų1454 Ų5414%0.14429%0.285CS..SBendtrans68.210.7-174.200000113.6L287 G292 Q317 L318L287-G294 WeakPolarHBondContact CD1-O 3.35Å; G292-G294 PolarHBondContact O-N 3.05Å; G292-G294 VanDerWaalsContact O-N 3.08Å; G294-Q317 CarbonylContact O-C 3.58Å; G294-Q317 PolarHBondContact O-NE2 3.42Å; G294-Q317 VanDerWaalsContact O-NE2 3.08Å; G294-L318 WeakPolarHBondContact O-CB 3.35Å; G294-L318 PolarHBondContact O-N 3.02Å
295R88.8Confident89Confident51 Ų5159.1 Ų59.119%0.19231%0.308CS..EExtended strand (participates in β ladder)trans-116.3143.8178.4-165.5171.1176.7-78.6-9.1110.3L204 E293 E297 L316L204-R295 PolarHBondContact O-NH2 3.04Å; E293-R295 HydrophobicContact CG-CB 4.28Å; E293-R295 PolarHBondContact O-N 3.37Å; R295-E297 VanDerWaalsContact CZ-CD 3.5Å; R295-E297 IonicContact CZ-OE1 3.6Å; R295-E297 IonicContact CZ-OE2 2.69Å; R295-E297 IonicContact NH1-OE1 3.65Å; R295-E297 PolarHBondContact NH1-OE1 3.24Å; R295-E297 IonicContact NH1-OE2 2.87Å; R295-E297 PolarHBondContact NH1-OE2 2.83Å; R295-E297 VanDerWaalsContact NH2-CD 3.27Å; R295-E297 IonicContact NH2-OE1 3.68Å; R295-E297 PolarHBondContact NH2-OE1 3.27Å; R295-E297 IonicContact NH2-OE2 3.89Å; R295-L316 WeakPolarHBondContact CA-O 3.35Å
296S91.6Very high89Confident6 Ų656.9 Ų56.94%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-150.4148.8175.3176.30000110.1Q283 L316Q283-S296 PolarHBondContact O-OG 3.29Å; Q283-S296 PolarHBondContact OE1-OG 2.91Å; S296-L316 PolarHBondContact N-O 3.18Å; S296-L316 PolarHBondContact O-N 3.46Å
297E94.3Very high89.1Confident18 Ų1859.6 Ų59.68%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-134.9131.4-174.7-59.3-169.910100109.1R152 R295 Y313 M314 V315 L344R152-E297 IonicContact CZ-OE1 3.49Å; R152-E297 IonicContact CZ-OE2 3.73Å; R152-E297 IonicContact NH1-OE1 2.7Å; R152-E297 PolarHBondContact NH1-OE1 3.38Å; R152-E297 IonicContact NH1-OE2 2.85Å; R152-E297 PolarHBondContact NH1-OE2 2.91Å; R152-E297 IonicContact NH2-OE2 2.75Å; R152-E297 PolarHBondContact NH2-OE2 3.31Å; R295-E297 VanDerWaalsContact CZ-CD 3.5Å; R295-E297 IonicContact CZ-OE1 3.6Å; R295-E297 IonicContact CZ-OE2 2.69Å; R295-E297 IonicContact NH1-OE1 3.65Å; R295-E297 PolarHBondContact NH1-OE1 3.24Å; R295-E297 IonicContact NH1-OE2 2.87Å; R295-E297 PolarHBondContact NH1-OE2 2.83Å; R295-E297 VanDerWaalsContact NH2-CD 3.27Å; R295-E297 IonicContact NH2-OE1 3.68Å; R295-E297 PolarHBondContact NH2-OE1 3.27Å; R295-E297 IonicContact NH2-OE2 3.89Å; E297-Y313 HydrophobicContact CB-CE2 4.27Å; E297-Y313 PolarHBondContact OE1-OH 3.24Å; E297-M314 WeakPolarHBondContact CA-O 3.35Å; E297-V315 HydrophobicContact CG-CG1 4.42Å; E297-V315 HydrophobicContact CG-CG2 4.27Å; E297-V315 WeakPolarHBondContact OE1-CG2 3.38Å; E297-L344 HydrophobicContact CB-CD2 3.94Å
298M95.2Very high89.3Confident0 Ų061.7 Ų61.70%033%0.332CS..EExtended strand (participates in β ladder)trans-147.6156.2-177.267.2178.987.300111.6W268 H279 A280 Q283 V300 M314 L316W268-M298 HydrophobicContact CH2-CE 4.11Å; W268-M298 HydrophobicContact CH2-SD 3.67Å; W268-M298 HydrophobicContact CZ2-SD 3.87Å; H279-M298 WeakPolarHBondContact NE2-CB 3.35Å; A280-M298 HydrophobicContact CB-SD 4.11Å; Q283-M298 HydrophobicContact CB-CB 4.25Å; Q283-M298 HydrophobicContact CB-CE 3.61Å; Q283-M298 HydrophobicContact CB-SD 4.43Å; Q283-M298 HydrophobicContact CG-CB 4.11Å; M298-V300 HydrophobicContact CG-CG1 4.21Å; M298-V300 HydrophobicContact SD-CG1 4.04Å; M298-M314 HydrophobicContact CG-CB 4.02Å; M298-M314 HydrophobicContact CG-SD 4.46Å; M298-M314 PolarHBondContact N-O 2.88Å; M298-M314 PolarHBondContact O-N 3.41Å; M298-L316 HydrophobicContact CE-CD1 3.61Å; M298-L316 HydrophobicContact CE-CD2 4.02Å; M298-L316 HydrophobicContact CG-CD1 3.98Å; M298-L316 HydrophobicContact SD-CD1 4.41Å
299V97.7Very high89.6Confident0 Ų064 Ų640%034%0.337CS..EExtended strand (participates in β ladder)trans-123.6121.3174.41780000108W311 L312 Y313 I332 A337 V340 R341 L344V299-W311 HydrophobicContact CG1-CE3 3.88Å; V299-W311 HydrophobicContact CG1-CZ3 4.1Å; V299-L312 WeakPolarHBondContact CA-O 3.42Å; V299-Y313 HydrophobicContact CG2-CD2 3.88Å; V299-Y313 HydrophobicContact CG2-CG 4.41Å; V299-I332 HydrophobicContact CG1-CD1 3.99Å; V299-A337 HydrophobicContact CG1-CB 3.84Å; V299-V340 HydrophobicContact CG2-CB 4.12Å; V299-V340 HydrophobicContact CG2-CG1 3.64Å; V299-R341 HydrophobicContact CB-CG 3.61Å; V299-R341 HydrophobicContact CG1-CG 3.93Å; V299-R341 HydrophobicContact CG2-CG 4.06Å; V299-R341 PolarHBondContact O-NE 3.2Å; V299-R341 VanDerWaalsContact O-NE 3.11Å; V299-R341 PolarHBondContact O-NH2 3.1Å; V299-L344 HydrophobicContact CG2-CD1 4.11Å
300V97.6Very high90Very high0 Ų056.9 Ų56.90%031%0.313CS..EExtended strand (participates in β ladder)trans-142.1152.8-171.1-61.50000111L272 D276 A280 M298 V302 L312 M314L272-V300 HydrophobicContact CD2-CB 4.01Å; L272-V300 HydrophobicContact CD2-CG2 3.75Å; D276-V300 HydrophobicContact CB-CB 4.32Å; D276-V300 HydrophobicContact CB-CG1 4.26Å; A280-V300 HydrophobicContact CB-CG1 4.08Å; M298-V300 HydrophobicContact CG-CG1 4.21Å; M298-V300 HydrophobicContact SD-CG1 4.04Å; V300-V302 HydrophobicContact CG2-CG2 4.33Å; V300-L312 PolarHBondContact N-O 3.28Å; V300-L312 PolarHBondContact O-N 3.44Å; V300-M314 HydrophobicContact CG2-CG 4.35Å; V300-M314 HydrophobicContact CG2-SD 3.63Å
301R97.7Very high90.9Very high39 Ų3949.4 Ų49.415%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-87.9130.2165.7-73156.4-69.5-171.6-2.2110.2L272 H273 D276 W309 V310 W311L272-R301 WeakPolarHBondContact CA-O 3.12Å; H273-R301 HydrophobicContact CB-CB 3.66Å; H273-R301 PolarHBondContact N-O 2.87Å; H273-R301 PolarHBondContact ND1-NH2 2.71Å; D276-R301 VanDerWaalsContact CG-NH2 3.32Å; D276-R301 IonicContact OD1-CZ 3.89Å; D276-R301 IonicContact OD1-NE 3.4Å; D276-R301 IonicContact OD1-NH2 3.23Å; D276-R301 PolarHBondContact OD1-NH2 3.44Å; D276-R301 IonicContact OD2-CZ 2.74Å; D276-R301 PolarHBondContact OD2-N 2.71Å; D276-R301 IonicContact OD2-NE 3.23Å; D276-R301 PolarHBondContact OD2-NE 2.84Å; D276-R301 IonicContact OD2-NH2 2.72Å; D276-R301 PolarHBondContact OD2-NH2 3.16Å; R301-W309 HydrophobicContact CB-CB 4.42Å; R301-W309 HydrophobicContact CB-CE3 3.98Å; R301-W309 HydrophobicContact CG-CB 4.46Å; R301-V310 WeakPolarHBondContact CA-O 3.41Å; R301-W311 HydrophobicContact CG-CD2 3.52Å; R301-W311 HydrophobicContact CG-CE3 3.57Å; R301-W311 HydrophobicContact CG-CG 4.2Å; R301-W311 HydrophobicContact CG-CH2 3.83Å; R301-W311 HydrophobicContact CG-CZ2 3.8Å; R301-W311 HydrophobicContact CG-CZ3 3.71Å
302V95.9Very high92.2Very high7 Ų745.3 Ų45.34%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-108.9136.4170.4-178.10000108.5L256 L271 L272 V300 V310 L312L256-V302 HydrophobicContact CD1-CG1 4.46Å; L256-V302 HydrophobicContact CD2-CG1 4.44Å; L271-V302 HydrophobicContact CB-CG1 4.08Å; L271-V302 CarbonylContact O-C 3.57Å; L271-V302 WeakPolarHBondContact O-CA 3.4Å; L272-V302 HydrophobicContact CD2-CG2 4.09Å; V300-V302 HydrophobicContact CG2-CG2 4.33Å; V302-V310 PolarHBondContact N-O 2.93Å; V302-V310 PolarHBondContact O-N 2.98Å; V302-L312 HydrophobicContact CB-CD1 4.24Å; V302-L312 HydrophobicContact CG2-CD1 3.59Å; V302-L312 HydrophobicContact CG2-CG 4.09Å
303Q95.8Very high93.5Very high50 Ų5043 Ų4323%0.23421%0.211CC..EExtended strand (participates in β ladder)trans-74.5127.3172.8-160.7173.632.600109.7Y258 L271 L307 S308 W309Y258-Q303 WeakPolarHBondContact CE2-O 3.45Å; L271-Q303 PolarHBondContact O-N 3.44Å; Q303-L307 PolarHBondContact NE2-O 3.46Å; Q303-S308 CarbonylContact C-O 3.59Å; Q303-S308 WeakPolarHBondContact CA-O 3.34Å; Q303-W309 HydrophobicContact CB-CE3 3.98Å; Q303-W309 HydrophobicContact CB-CH2 3.82Å; Q303-W309 HydrophobicContact CB-CZ2 4.45Å; Q303-W309 HydrophobicContact CB-CZ3 3.55Å; Q303-W309 HydrophobicContact CG-CE3 4.48Å; Q303-W309 HydrophobicContact CG-CH2 4.16Å; Q303-W309 HydrophobicContact CG-CZ2 4.32Å; Q303-W309 HydrophobicContact CG-CZ3 4.24Å
304A94.1Very high94.6Very high4 Ų435.3 Ų35.33%0.03318%0.175CC..  trans-83.7175.5171.600000111.5L256 Y258 D306 L307 S308 V310L256-A304 HydrophobicContact CD2-CB 4.35Å; L256-A304 CarbonylContact O-C 3.58Å; L256-A304 WeakPolarHBondContact O-CA 3.3Å; L256-A304 WeakPolarHBondContact O-CB 3.47Å; Y258-A304 PolarHBondContact OH-O 3.17Å; A304-D306 VanDerWaalsContact C-N 3.32Å; A304-D306 VanDerWaalsContact CB-OD1 3.25Å; A304-D306 WeakPolarHBondContact CB-OD1 3.19Å; A304-D306 PolarHBondContact O-N 2.75Å; A304-L307 PolarHBondContact O-N 3.18Å; A304-L307 VanDerWaalsContact O-N 3.14Å; A304-S308 PolarHBondContact N-O 3.35Å; A304-V310 HydrophobicContact CB-CG2 4.11Å
305H92.6Very high95Very high115 Ų11534.9 Ų34.953%0.53217%0.169SC..THydrogen-bonded Turntrans-68-30.6-176.1-177.9-89.8000113.2L256 G257 Y258 L307L256-H305 PolarHBondContact O-N 3.04Å; G257-H305 VanDerWaalsContact O-CB 3.27Å; G257-H305 WeakPolarHBondContact O-CB 3.26Å; Y258-H305 HydrophobicContact CD1-CB 4.21Å; Y258-H305 AromaticContact CD1-CD2 3.91Å; Y258-H305 HydrophobicContact CD2-CB 4.14Å; Y258-H305 HydrophobicContact CE1-CB 4.16Å; Y258-H305 AromaticContact CE1-CD2 3.72Å; Y258-H305 HydrophobicContact CE2-CB 4.1Å; Y258-H305 VanDerWaalsContact CE2-N 3.28Å; Y258-H305 HydrophobicContact CG-CB 4.19Å; H305-L307 PolarHBondContact O-N 3.22Å
306D93.9Very high95.3Very high113 Ų11332.5 Ų32.560%0.60416%0.16SC*.THydrogen-bonded Turntrans-74.23.4172.470.8-21.7000113.7A304 S308A304-D306 VanDerWaalsContact C-N 3.32Å; A304-D306 VanDerWaalsContact CB-OD1 3.25Å; A304-D306 WeakPolarHBondContact CB-OD1 3.19Å; A304-D306 PolarHBondContact O-N 2.75Å; D306-S308 VanDerWaalsContact CG-OG 3.26Å; D306-S308 PolarHBondContact O-N 3.39Å; D306-S308 VanDerWaalsContact OD1-CB 3.27Å; D306-S308 WeakPolarHBondContact OD1-CB 3.35Å; D306-S308 PolarHBondContact OD1-N 3.43Å; D306-S308 PolarHBondContact OD1-OG 2.78Å; D306-S308 VanDerWaalsContact OD2-CB 3.3Å; D306-S308 WeakPolarHBondContact OD2-CB 3.35Å; D306-S308 PolarHBondContact OD2-OG 3.19Å; D306-S308 VanDerWaalsContact OD2-OG 3.06Å
307L93.3Very high95.3Very high115 Ų11534 Ų3460%0.60217%0.166SC*.SBendtrans70.85.7-174.5-47.2177.9000115.4Q303 A304 H305Q303-L307 PolarHBondContact NE2-O 3.46Å; A304-L307 PolarHBondContact O-N 3.18Å; A304-L307 VanDerWaalsContact O-N 3.14Å; H305-L307 PolarHBondContact O-N 3.22Å
308S95.3Very high95.1Very high46 Ų4634.1 Ų34.132%0.32217%0.168SC..  trans-69.8169172.274.20000112.1Q303 A304 D306Q303-S308 CarbonylContact C-O 3.59Å; Q303-S308 WeakPolarHBondContact CA-O 3.34Å; A304-S308 PolarHBondContact N-O 3.35Å; D306-S308 VanDerWaalsContact CG-OG 3.26Å; D306-S308 PolarHBondContact O-N 3.39Å; D306-S308 VanDerWaalsContact OD1-CB 3.27Å; D306-S308 WeakPolarHBondContact OD1-CB 3.35Å; D306-S308 PolarHBondContact OD1-N 3.43Å; D306-S308 PolarHBondContact OD1-OG 2.78Å; D306-S308 VanDerWaalsContact OD2-CB 3.3Å; D306-S308 WeakPolarHBondContact OD2-CB 3.35Å; D306-S308 PolarHBondContact OD2-OG 3.19Å; D306-S308 VanDerWaalsContact OD2-OG 3.06Å
309W96.5Very high94.5Very high104 Ų10437.8 Ų37.839%0.39419%0.185SC..EExtended strand (participates in β ladder)trans-113.2109.7179.7-66.3103.3000110.8H273 R301 Q303H273-W309 VanDerWaalsContact CA-CZ3 3.46Å; H273-W309 HydrophobicContact CB-CD2 4.44Å; H273-W309 HydrophobicContact CB-CE3 3.83Å; H273-W309 HydrophobicContact CB-CH2 4.1Å; H273-W309 HydrophobicContact CB-CZ3 3.62Å; H273-W309 AromaticContact CD2-CD2 3.96Å; H273-W309 AromaticContact CD2-CE2 3.69Å; H273-W309 AromaticContact CD2-CH2 3.87Å; H273-W309 AromaticContact CD2-CZ2 3.66Å; R301-W309 HydrophobicContact CB-CB 4.42Å; R301-W309 HydrophobicContact CB-CE3 3.98Å; R301-W309 HydrophobicContact CG-CB 4.46Å; Q303-W309 HydrophobicContact CB-CE3 3.98Å; Q303-W309 HydrophobicContact CB-CH2 3.82Å; Q303-W309 HydrophobicContact CB-CZ2 4.45Å; Q303-W309 HydrophobicContact CB-CZ3 3.55Å; Q303-W309 HydrophobicContact CG-CE3 4.48Å; Q303-W309 HydrophobicContact CG-CH2 4.16Å; Q303-W309 HydrophobicContact CG-CZ2 4.32Å; Q303-W309 HydrophobicContact CG-CZ3 4.24Å
310V96.3Very high93.4Very high25 Ų2545.7 Ų45.715%0.15222%0.221CC..EExtended strand (participates in β ladder)trans-94.7127.9176.5179.40000109.2L256 R301 V302 A304 L312 I331L256-V310 HydrophobicContact CD2-CB 3.79Å; L256-V310 HydrophobicContact CD2-CG1 4.1Å; L256-V310 HydrophobicContact CD2-CG2 3.92Å; R301-V310 WeakPolarHBondContact CA-O 3.41Å; V302-V310 PolarHBondContact N-O 2.93Å; V302-V310 PolarHBondContact O-N 2.98Å; A304-V310 HydrophobicContact CB-CG2 4.11Å; V310-L312 HydrophobicContact CG1-CD2 4.09Å; V310-I331 HydrophobicContact CG1-CG1 4.39Å; V310-I331 HydrophobicContact CG1-CG2 4Å
311W97Very high92.1Very high30 Ų3048.2 Ų48.211%0.11425%0.248CC..EExtended strand (participates in β ladder)trans-76.7122.8171.9-77.2109.6000110.4V299 R301 I332 D334 A337V299-W311 HydrophobicContact CG1-CE3 3.88Å; V299-W311 HydrophobicContact CG1-CZ3 4.1Å; R301-W311 HydrophobicContact CG-CD2 3.52Å; R301-W311 HydrophobicContact CG-CE3 3.57Å; R301-W311 HydrophobicContact CG-CG 4.2Å; R301-W311 HydrophobicContact CG-CH2 3.83Å; R301-W311 HydrophobicContact CG-CZ2 3.8Å; R301-W311 HydrophobicContact CG-CZ3 3.71Å; W311-I332 HydrophobicContact CB-CD1 4.4Å; W311-I332 HydrophobicContact CB-CG1 3.67Å; W311-I332 PolarHBondContact O-N 3.44Å; W311-D334 PolarHBondContact NE1-OD1 3.18Å; W311-A337 HydrophobicContact CB-CB 4.16Å; W311-A337 HydrophobicContact CD2-CB 3.48Å; W311-A337 VanDerWaalsContact CD2-CB 3.48Å; W311-A337 HydrophobicContact CE3-CB 3.61Å; W311-A337 HydrophobicContact CG-CB 3.77Å; W311-A337 HydrophobicContact CZ2-CB 4.44Å; W311-A337 HydrophobicContact CZ3-CB 4.17Å
312L96.5Very high90.5Very high4 Ų454.4 Ų54.42%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-114.6126.7170.4-60.2-174.8000110.4F235 V299 V300 V302 V310 M314 N329 Y330 I331F235-L312 HydrophobicContact CE1-CD1 4.3Å; F235-L312 HydrophobicContact CE1-CD2 4.09Å; F235-L312 HydrophobicContact CZ-CD1 3.91Å; V299-L312 WeakPolarHBondContact CA-O 3.42Å; V300-L312 PolarHBondContact N-O 3.28Å; V300-L312 PolarHBondContact O-N 3.44Å; V302-L312 HydrophobicContact CB-CD1 4.24Å; V302-L312 HydrophobicContact CG2-CD1 3.59Å; V302-L312 HydrophobicContact CG2-CG 4.09Å; V310-L312 HydrophobicContact CG1-CD2 4.09Å; L312-M314 HydrophobicContact CB-CG 4.02Å; L312-N329 HydrophobicContact CD1-CB 4.36Å; L312-Y330 WeakPolarHBondContact CA-O 3.48Å; L312-I331 HydrophobicContact CD2-CB 4.41Å; L312-I331 HydrophobicContact CD2-CG1 3.51Å
313Y96.6Very high89.1Confident0 Ų058.2 Ų58.20%030%0.303CS..EExtended strand (participates in β ladder)trans-87.1115.6155.6164.4-128.6000108.2R152 L172 L204 E297 V299 V315 Y330 V340R152-Y313 PolarHBondContact NH1-OH 3.06Å; L172-Y313 HydrophobicContact CD1-CD1 4.49Å; L172-Y313 HydrophobicContact CD1-CE1 4.11Å; L172-Y313 HydrophobicContact CD2-CD1 3.94Å; L172-Y313 HydrophobicContact CD2-CE1 3.88Å; L204-Y313 HydrophobicContact CD1-CE1 4.17Å; L204-Y313 WeakPolarHBondContact CD1-OH 3.38Å; L204-Y313 HydrophobicContact CD2-CE1 3.92Å; E297-Y313 HydrophobicContact CB-CE2 4.27Å; E297-Y313 PolarHBondContact OE1-OH 3.24Å; V299-Y313 HydrophobicContact CG2-CD2 3.88Å; V299-Y313 HydrophobicContact CG2-CG 4.41Å; Y313-V315 HydrophobicContact CE1-CG2 3.95Å; Y313-V315 HydrophobicContact CE2-CG2 3.93Å; Y313-V315 VanDerWaalsContact CZ-CG2 3.44Å; Y313-V315 VanDerWaalsContact OH-CG2 3.24Å; Y313-V315 WeakPolarHBondContact OH-CG2 3.03Å; Y313-Y330 AromaticContact CD1-CD2 3.6Å; Y313-Y330 HydrophobicContact CD1-CD2 3.6Å; Y313-Y330 HydrophobicContact CD1-CE2 4.46Å; Y313-Y330 HydrophobicContact CD1-CG 4.16Å; Y313-Y330 AromaticContact CE1-CD2 3.88Å; Y313-Y330 HydrophobicContact CE1-CD2 3.88Å; Y313-Y330 HydrophobicContact CE1-CE2 4.31Å; Y313-Y330 HydrophobicContact CG-CD2 4.45Å; Y313-Y330 PolarHBondContact N-O 2.79Å; Y313-Y330 PolarHBondContact O-N 3.31Å; Y313-V340 HydrophobicContact CD2-CG1 3.9Å; Y313-V340 HydrophobicContact CE2-CG1 4.13Å; Y313-V340 HydrophobicContact CG-CG1 4.2Å
314M95.2Very high88.5Confident1 Ų157 Ų571%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-107.3125.8-176.4-57.4178.474.800109.8M243 W268 E297 M298 V300 L312 L316 N328 N329M243-M314 HydrophobicContact CE-CE 4.28Å; W268-M314 HydrophobicContact CZ2-CE 4.02Å; W268-M314 HydrophobicContact CZ2-SD 3.78Å; E297-M314 WeakPolarHBondContact CA-O 3.35Å; M298-M314 HydrophobicContact CG-CB 4.02Å; M298-M314 HydrophobicContact CG-SD 4.46Å; M298-M314 PolarHBondContact N-O 2.88Å; M298-M314 PolarHBondContact O-N 3.41Å; V300-M314 HydrophobicContact CG2-CG 4.35Å; V300-M314 HydrophobicContact CG2-SD 3.63Å; L312-M314 HydrophobicContact CB-CG 4.02Å; M314-L316 HydrophobicContact CB-CD1 3.72Å; M314-N328 WeakPolarHBondContact CA-O 3.24Å; M314-N329 VanDerWaalsContact CE-OD1 3.27Å; M314-N329 WeakPolarHBondContact CE-OD1 3.47Å
315V94.3Very high88.4Confident5 Ų556.8 Ų56.83%0.0330%0.298CS..EExtended strand (participates in β ladder)trans-105.3116.4165.8177.90000108.1L204 E297 Y313 S327 N328 Y330L204-V315 HydrophobicContact CD2-CG2 4.1Å; E297-V315 HydrophobicContact CG-CG1 4.42Å; E297-V315 HydrophobicContact CG-CG2 4.27Å; E297-V315 WeakPolarHBondContact OE1-CG2 3.38Å; Y313-V315 HydrophobicContact CE1-CG2 3.95Å; Y313-V315 HydrophobicContact CE2-CG2 3.93Å; Y313-V315 VanDerWaalsContact CZ-CG2 3.44Å; Y313-V315 VanDerWaalsContact OH-CG2 3.24Å; Y313-V315 WeakPolarHBondContact OH-CG2 3.03Å; V315-S327 CarbonylContact O-C 3.58Å; V315-S327 WeakPolarHBondContact O-CA 3.48Å; V315-N328 HydrophobicContact CB-CB 4.49Å; V315-N328 PolarHBondContact N-O 2.89Å; V315-N328 PolarHBondContact O-N 2.69Å; V315-Y330 HydrophobicContact CG2-CE2 4.17Å
316L93.4Very high88.4Confident0 Ų052.2 Ų52.20%028%0.279CS..EExtended strand (participates in β ladder)trans-109.9130.3-176.2-58.288.6000109.7M243 L287 R295 S296 M298 M314 I325 S326M243-L316 HydrophobicContact CE-CD2 3.78Å; M243-L316 HydrophobicContact SD-CD2 3.9Å; L287-L316 HydrophobicContact CD1-CB 4.39Å; L287-L316 HydrophobicContact CD2-CB 3.72Å; L287-L316 HydrophobicContact CD2-CD2 4.01Å; R295-L316 WeakPolarHBondContact CA-O 3.35Å; S296-L316 PolarHBondContact N-O 3.18Å; S296-L316 PolarHBondContact O-N 3.46Å; M298-L316 HydrophobicContact CE-CD1 3.61Å; M298-L316 HydrophobicContact CE-CD2 4.02Å; M298-L316 HydrophobicContact CG-CD1 3.98Å; M298-L316 HydrophobicContact SD-CD1 4.41Å; M314-L316 HydrophobicContact CB-CD1 3.72Å; L316-I325 HydrophobicContact CB-CG2 4.02Å; L316-I325 HydrophobicContact CD2-CG2 4.12Å; L316-S326 CarbonylContact C-O 3.59Å; L316-S326 WeakPolarHBondContact CA-O 3.33Å
317Q91.6Very high88.3Confident37 Ų3746.9 Ų46.917%0.17325%0.25CC..EExtended strand (participates in β ladder)trans-121.7112.7173.8-171.967.35000109.2G294 S326G294-Q317 CarbonylContact O-C 3.58Å; G294-Q317 PolarHBondContact O-NE2 3.42Å; G294-Q317 VanDerWaalsContact O-NE2 3.08Å; Q317-S326 PolarHBondContact N-O 3.4Å; Q317-S326 PolarHBondContact O-N 2.85Å
318L90.1Very high88.3Confident22 Ų2242.9 Ų42.912%0.11523%0.229CC..PPolyproline II helixtrans-69.5126.3166.3-173.168000108.4L287 L288 G294 I325L287-L318 HydrophobicContact CD1-CB 3.91Å; L287-L318 HydrophobicContact CG-CB 4.17Å; L287-L318 WeakPolarHBondContact O-CD2 2.95Å; L288-L318 HydrophobicContact CD2-CD1 4.12Å; G294-L318 WeakPolarHBondContact O-CB 3.35Å; G294-L318 PolarHBondContact O-N 3.02Å; L318-I325 HydrophobicContact CD1-CG1 3.68Å
319Q82.8Confident88.3Confident76 Ų7640.8 Ų40.836%0.35521%0.214SC..PPolyproline II helixtrans-90.8160.3176.5-64.2-71.118.800110.9I323 P324Q319-I323 HydrophobicContact CB-CB 3.59Å; Q319-I323 HydrophobicContact CB-CG2 3.36Å; Q319-I323 HydrophobicContact CG-CG2 3.83Å; Q319-P324 WeakPolarHBondContact CG-O 3.41Å
320H74.3Confident88.1Confident166 Ų16636.4 Ų36.477%0.76920%0.198SC*.SBendtrans-79.2130.6-174.2-70.473.7000111.8I323H320-I323 WeakPolarHBondContact O-CD1 3.21Å; H320-I323 WeakPolarHBondContact O-CG1 3.49Å
321G70.3Confident88Confident54 Ų5436.8 Ų36.856%0.55720%0.199SC*.SBendtrans90.2-152.4-175.600000113.2R241 I323R241-G321 PolarHBondContact NH1-O 3.13Å; G321-I323 PolarHBondContact O-N 3.49Å
322D64.8Low87.8Confident168 Ų16836.1 Ų36.190%0.89820%0.197SC*.SBendtrans-78.616.1177.3-64.1-43.1000113.5
323I67.1Low87.6Confident88 Ų8838.1 Ų38.145%0.45121%0.212SC..PPolyproline II helixtrans-75141.3-177.2-55.4-178.2000109.6Q319 H320 G321Q319-I323 HydrophobicContact CB-CB 3.59Å; Q319-I323 HydrophobicContact CB-CG2 3.36Å; Q319-I323 HydrophobicContact CG-CG2 3.83Å; H320-I323 WeakPolarHBondContact O-CD1 3.21Å; H320-I323 WeakPolarHBondContact O-CG1 3.49Å; G321-I323 PolarHBondContact O-N 3.49Å
324P82.7Confident87.4Confident24 Ų2443.4 Ų43.416%0.15624%0.24CC..PPolyproline II helixtrans-56.615717723.1-37.4000114.3Q238 H239 Q246 Q319 S326Q238-P324 HydrophobicContact CB-CB 4.29Å; Q238-P324 HydrophobicContact CB-CG 4.37Å; H239-P324 CarbonylContact O-C 3.6Å; H239-P324 VanDerWaalsContact O-CA 3.26Å; H239-P324 WeakPolarHBondContact O-CA 3.47Å; H239-P324 WeakPolarHBondContact O-CB 3.33Å; Q246-P324 VanDerWaalsContact OE1-CG 3.32Å; Q319-P324 WeakPolarHBondContact CG-O 3.41Å; P324-S326 PolarHBondContact O-N 2.95Å
325I91.8Very high87.2Confident0 Ų045.5 Ų45.50%025%0.254CS..EExtended strand (participates in β ladder)trans-66.6117.6164.3-62.5163.6000107.7Q238 H239 M243 L287 L288 L316 L318Q238-I325 WeakPolarHBondContact CA-O 3.4Å; H239-I325 HydrophobicContact CB-CB 4.38Å; H239-I325 PolarHBondContact N-O 2.85Å; H239-I325 PolarHBondContact O-N 3.13Å; M243-I325 HydrophobicContact SD-CD1 3.9Å; L287-I325 HydrophobicContact CD2-CD1 3.92Å; L287-I325 HydrophobicContact CD2-CG1 4.15Å; L287-I325 HydrophobicContact CD2-CG2 3.82Å; L288-I325 HydrophobicContact CD2-CD1 4.42Å; L316-I325 HydrophobicContact CB-CG2 4.02Å; L316-I325 HydrophobicContact CD2-CG2 4.12Å; L318-I325 HydrophobicContact CD1-CG1 3.68Å
326S92.2Very high87.1Confident19 Ų1945.7 Ų45.713%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-79.8139.7167.1-1740000109.4N236 L316 Q317 P324N236-S326 PolarHBondContact ND2-OG 3.29Å; L316-S326 CarbonylContact C-O 3.59Å; L316-S326 WeakPolarHBondContact CA-O 3.33Å; Q317-S326 PolarHBondContact N-O 3.4Å; Q317-S326 PolarHBondContact O-N 2.85Å; P324-S326 PolarHBondContact O-N 2.95Å
327S93.2Very high87.2Confident0 Ų045.7 Ų45.70%026%0.255CS..EExtended strand (participates in β ladder)trans-135119.9-179.4176.50000110.6N236 S237 V315 N329N236-S327 CarbonylContact C-O 3.6Å; N236-S327 WeakPolarHBondContact CA-O 3.27Å; N236-S327 PolarHBondContact ND2-O 3.4Å; S237-S327 PolarHBondContact N-O 3.34Å; S237-S327 PolarHBondContact O-N 3.09Å; V315-S327 CarbonylContact O-C 3.58Å; V315-S327 WeakPolarHBondContact O-CA 3.48Å; S327-N329 PolarHBondContact O-ND2 3.5Å; S327-N329 PolarHBondContact OG-ND2 3.12Å; S327-N329 PolarHBondContact OG-OD1 3.12Å
328N92.5Very high87.2Confident31 Ų3151.5 Ų51.517%0.16628%0.275CS..EExtended strand (participates in β ladder)trans-92.1125.7165.9-65.7-20.1000108.1N236 M314 V315 Y330N236-N328 PolarHBondContact ND2-OD1 3.48Å; M314-N328 WeakPolarHBondContact CA-O 3.24Å; V315-N328 HydrophobicContact CB-CB 4.49Å; V315-N328 PolarHBondContact N-O 2.89Å; V315-N328 PolarHBondContact O-N 2.69Å; N328-Y330 HydrophobicContact CB-CE2 3.92Å
329N94.3Very high87.3Confident3 Ų352.6 Ų52.62%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-117.4115.2-173.1-57.5-93.7000108.1C234 F235 S237 L312 M314 S327C234-N329 CarbonylContact C-O 3.48Å; C234-N329 WeakPolarHBondContact CA-O 3.4Å; C234-N329 WeakPolarHBondContact CB-O 3.49Å; F235-N329 HydrophobicContact CD1-CB 4.02Å; F235-N329 HydrophobicContact CD2-CB 4.07Å; F235-N329 HydrophobicContact CE1-CB 3.68Å; F235-N329 HydrophobicContact CE2-CB 3.72Å; F235-N329 HydrophobicContact CG-CB 4.2Å; F235-N329 HydrophobicContact CZ-CB 3.51Å; F235-N329 PolarHBondContact N-O 3.05Å; F235-N329 VanDerWaalsContact O-CB 3.32Å; F235-N329 WeakPolarHBondContact O-CB 3.35Å; F235-N329 PolarHBondContact O-N 3Å; F235-N329 PolarHBondContact O-ND2 3.48Å; F235-N329 VanDerWaalsContact O-ND2 3.09Å; S237-N329 PolarHBondContact OG-ND2 2.85Å; L312-N329 HydrophobicContact CD1-CB 4.36Å; M314-N329 VanDerWaalsContact CE-OD1 3.27Å; M314-N329 WeakPolarHBondContact CE-OD1 3.47Å; S327-N329 PolarHBondContact O-ND2 3.5Å; S327-N329 PolarHBondContact OG-ND2 3.12Å; S327-N329 PolarHBondContact OG-OD1 3.12Å
330Y93.4Very high87.8Confident11 Ų1149 Ų494%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-104.9126.9178-56.4-81.5000109L172 T202 L204 L232 C234 L312 Y313 V315 N328L172-Y330 HydrophobicContact CD2-CD1 4.39Å; L172-Y330 HydrophobicContact CD2-CD2 4.49Å; L172-Y330 HydrophobicContact CD2-CG 4.23Å; T202-Y330 HydrophobicContact CG2-CE1 3.97Å; L204-Y330 HydrophobicContact CD2-CD2 4.31Å; L204-Y330 HydrophobicContact CD2-CE2 3.48Å; L204-Y330 VanDerWaalsContact CD2-CE2 3.48Å; L232-Y330 HydrophobicContact CD2-CD1 3.66Å; L232-Y330 HydrophobicContact CD2-CG 4.04Å; L232-Y330 HydrophobicContact CG-CD1 4.27Å; C234-Y330 HydrophobicContact CB-CD1 3.61Å; C234-Y330 HydrophobicContact CB-CE1 4.04Å; C234-Y330 HydrophobicContact CB-CG 4.38Å; L312-Y330 WeakPolarHBondContact CA-O 3.48Å; Y313-Y330 AromaticContact CD1-CD2 3.6Å; Y313-Y330 HydrophobicContact CD1-CD2 3.6Å; Y313-Y330 HydrophobicContact CD1-CE2 4.46Å; Y313-Y330 HydrophobicContact CD1-CG 4.16Å; Y313-Y330 AromaticContact CE1-CD2 3.88Å; Y313-Y330 HydrophobicContact CE1-CD2 3.88Å; Y313-Y330 HydrophobicContact CE1-CE2 4.31Å; Y313-Y330 HydrophobicContact CG-CD2 4.45Å; Y313-Y330 PolarHBondContact N-O 2.79Å; Y313-Y330 PolarHBondContact O-N 3.31Å; V315-Y330 HydrophobicContact CG2-CE2 4.17Å; N328-Y330 HydrophobicContact CB-CE2 3.92Å
331I93.5Very high88.8Confident34 Ų3444.1 Ų44.117%0.17424%0.239CC..EExtended strand (participates in β ladder)trans-86.9132.3177.2-62.6143.2000107.8L232 A233 F235 Y255 V310 L312L232-I331 WeakPolarHBondContact CD1-O 3.25Å; A233-I331 HydrophobicContact CB-CB 4.18Å; A233-I331 HydrophobicContact CB-CD1 3.97Å; A233-I331 PolarHBondContact O-N 2.75Å; F235-I331 HydrophobicContact CD1-CD1 4.27Å; F235-I331 HydrophobicContact CE1-CD1 4.38Å; Y255-I331 VanDerWaalsContact CB-CD1 3.46Å; Y255-I331 HydrophobicContact CD1-CD1 3.65Å; Y255-I331 HydrophobicContact CD2-CD1 3.37Å; Y255-I331 HydrophobicContact CE1-CD1 4.17Å; Y255-I331 HydrophobicContact CE2-CD1 3.91Å; Y255-I331 HydrophobicContact CG-CD1 3.21Å; V310-I331 HydrophobicContact CG1-CG1 4.39Å; V310-I331 HydrophobicContact CG1-CG2 4Å; L312-I331 HydrophobicContact CD2-CB 4.41Å; L312-I331 HydrophobicContact CD2-CG1 3.51Å
332I93.8Very high89.8Confident15 Ų1546.6 Ų46.68%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-140.3161-168.564.7-177.3000110.8L150 L232 V299 W311 E336 A337L150-I332 HydrophobicContact CD2-CB 4.21Å; L150-I332 HydrophobicContact CD2-CG2 3.45Å; L150-I332 VanDerWaalsContact CD2-CG2 3.45Å; L232-I332 HydrophobicContact CD1-CG2 4.39Å; V299-I332 HydrophobicContact CG1-CD1 3.99Å; W311-I332 HydrophobicContact CB-CD1 4.4Å; W311-I332 HydrophobicContact CB-CG1 3.67Å; W311-I332 PolarHBondContact O-N 3.44Å; I332-E336 VanDerWaalsContact CA-OE2 3.3Å; I332-E336 WeakPolarHBondContact CA-OE2 3.32Å; I332-E336 HydrophobicContact CB-CB 3.9Å; I332-E336 WeakPolarHBondContact CB-OE2 3.44Å; I332-A337 VanDerWaalsContact CD1-CA 3.48Å; I332-A337 HydrophobicContact CD1-CB 3.67Å; I332-A337 HydrophobicContact CG1-CB 4.1Å
333S92.1Very high91.2Very high47 Ų4739.4 Ų39.433%0.32920%0.197SC..  trans-73170.4171.284.40000112.5S335 E336 A337S333-S335 PolarHBondContact OG-N 3.34Å; S333-S335 PolarHBondContact OG-OG 2.96Å; S333-E336 PolarHBondContact N-OE2 3.35Å; S333-E336 PolarHBondContact O-N 2.88Å; S333-E336 WeakPolarHBondContact OG-CB 3.24Å; S333-E336 VanDerWaalsContact OG-CG 3.25Å; S333-E336 WeakPolarHBondContact OG-CG 3.46Å; S333-E336 PolarHBondContact OG-N 3.01Å; S333-A337 VanDerWaalsContact O-CB 3.3Å; S333-A337 WeakPolarHBondContact O-CB 3.47Å; S333-A337 PolarHBondContact O-N 3.32Å
334D92.8Very high92.4Very high111 Ų11136.4 Ų36.459%0.59418%0.182SC*.Hα-helixtrans-63.3-38.3172.4-166.386.5000112.4W311 A337 W338W311-D334 PolarHBondContact NE1-OD1 3.18Å; D334-A337 PolarHBondContact O-N 2.77Å; D334-W338 PolarHBondContact O-N 3.29Å; D334-W338 VanDerWaalsContact O-N 3.07Å
335S90.6Very high92.7Very high44 Ų4438.6 Ų38.631%0.30820%0.198SC..Hα-helixtrans-69.7-42.6175.758.80000112.2E146 S333 A337 W338 L339E146-S335 WeakPolarHBondContact OE1-CB 3.23Å; E146-S335 PolarHBondContact OE1-OG 3.29Å; S333-S335 PolarHBondContact OG-N 3.34Å; S333-S335 PolarHBondContact OG-OG 2.96Å; S335-A337 VanDerWaalsContact C-N 3.32Å; S335-A337 PolarHBondContact O-N 2.62Å; S335-W338 WeakPolarHBondContact O-CB 3.27Å; S335-W338 PolarHBondContact O-N 2.86Å; S335-L339 WeakPolarHBondContact O-CG 3.27Å; S335-L339 PolarHBondContact O-N 2.94Å
336E92.6Very high92.5Very high9 Ų941.2 Ų41.24%0.04222%0.216CC..Hα-helixtrans-61.4-40.2173.4-69173.3174.600111.6L150 R174 I332 S333 W338 L339 V340L150-E336 HydrophobicContact CB-CB 3.98Å; L150-E336 HydrophobicContact CB-CG 3.63Å; L150-E336 HydrophobicContact CD2-CB 3.92Å; L150-E336 HydrophobicContact CD2-CG 4.25Å; R174-E336 IonicContact CZ-OE1 2.85Å; R174-E336 IonicContact NH1-OE1 3.97Å; R174-E336 PolarHBondContact NH1-OE1 2.83Å; R174-E336 IonicContact NH1-OE2 3.64Å; R174-E336 PolarHBondContact NH1-OE2 2.89Å; R174-E336 IonicContact NH2-OE1 2.77Å; R174-E336 PolarHBondContact NH2-OE1 2.87Å; I332-E336 VanDerWaalsContact CA-OE2 3.3Å; I332-E336 WeakPolarHBondContact CA-OE2 3.32Å; I332-E336 HydrophobicContact CB-CB 3.9Å; I332-E336 WeakPolarHBondContact CB-OE2 3.44Å; S333-E336 PolarHBondContact N-OE2 3.35Å; S333-E336 PolarHBondContact O-N 2.88Å; S333-E336 WeakPolarHBondContact OG-CB 3.24Å; S333-E336 VanDerWaalsContact OG-CG 3.25Å; S333-E336 WeakPolarHBondContact OG-CG 3.46Å; S333-E336 PolarHBondContact OG-N 3.01Å; E336-W338 VanDerWaalsContact C-N 3.33Å; E336-W338 PolarHBondContact O-N 2.85Å; E336-L339 PolarHBondContact O-N 2.98Å; E336-V340 WeakPolarHBondContact O-CG2 3.48Å; E336-V340 PolarHBondContact O-N 2.88Å
337A94.6Very high92.2Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-61.6-39.4174.200000112.3V299 W311 I332 S333 D334 S335 R341V299-A337 HydrophobicContact CG1-CB 3.84Å; W311-A337 HydrophobicContact CB-CB 4.16Å; W311-A337 HydrophobicContact CD2-CB 3.48Å; W311-A337 VanDerWaalsContact CD2-CB 3.48Å; W311-A337 HydrophobicContact CE3-CB 3.61Å; W311-A337 HydrophobicContact CG-CB 3.77Å; W311-A337 HydrophobicContact CZ2-CB 4.44Å; W311-A337 HydrophobicContact CZ3-CB 4.17Å; I332-A337 VanDerWaalsContact CD1-CA 3.48Å; I332-A337 HydrophobicContact CD1-CB 3.67Å; I332-A337 HydrophobicContact CG1-CB 4.1Å; S333-A337 VanDerWaalsContact O-CB 3.3Å; S333-A337 WeakPolarHBondContact O-CB 3.47Å; S333-A337 PolarHBondContact O-N 3.32Å; D334-A337 PolarHBondContact O-N 2.77Å; S335-A337 VanDerWaalsContact C-N 3.32Å; S335-A337 PolarHBondContact O-N 2.62Å; A337-R341 VanDerWaalsContact O-CB 3.26Å; A337-R341 WeakPolarHBondContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CD 3.4Å; A337-R341 WeakPolarHBondContact O-CG 3.3Å; A337-R341 PolarHBondContact O-N 3.32Å; A337-R341 VanDerWaalsContact O-N 3.07Å
338W91.8Very high91.7Very high159 Ų15947.8 Ų47.860%0.60225%0.245SC*.Hα-helixtrans-66.2-46.6174.8-171.391.6000112D334 S335 E336 R341 Q342D334-W338 PolarHBondContact O-N 3.29Å; D334-W338 VanDerWaalsContact O-N 3.07Å; S335-W338 WeakPolarHBondContact O-CB 3.27Å; S335-W338 PolarHBondContact O-N 2.86Å; E336-W338 VanDerWaalsContact C-N 3.33Å; E336-W338 PolarHBondContact O-N 2.85Å; W338-R341 PolarHBondContact O-N 3.12Å; W338-Q342 VanDerWaalsContact CZ3-OE1 3.29Å; W338-Q342 WeakPolarHBondContact O-CB 3.45Å; W338-Q342 PolarHBondContact O-N 3.2Å
339L91.4Very high91.3Very high45 Ų4550.1 Ų50.124%0.23626%0.26CS..Hα-helixtrans-60.2-48.9178.8-69.6169.6000112.1S335 E336 R341 Q342 Q343S335-L339 WeakPolarHBondContact O-CG 3.27Å; S335-L339 PolarHBondContact O-N 2.94Å; E336-L339 PolarHBondContact O-N 2.98Å; L339-R341 PolarHBondContact O-N 3.03Å; L339-Q342 PolarHBondContact O-N 3.24Å; L339-Q343 PolarHBondContact O-N 3.49Å
340V94.4Very high90.6Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-66.4-36.7179177.80000111.3L150 V299 Y313 E336 Q343 L344L150-V340 HydrophobicContact CD2-CG2 4.11Å; L150-V340 HydrophobicContact CG-CG2 4.43Å; V299-V340 HydrophobicContact CG2-CB 4.12Å; V299-V340 HydrophobicContact CG2-CG1 3.64Å; Y313-V340 HydrophobicContact CD2-CG1 3.9Å; Y313-V340 HydrophobicContact CE2-CG1 4.13Å; Y313-V340 HydrophobicContact CG-CG1 4.2Å; E336-V340 WeakPolarHBondContact O-CG2 3.48Å; E336-V340 PolarHBondContact O-N 2.88Å; V340-Q343 PolarHBondContact O-N 3.49Å; V340-L344 HydrophobicContact CG1-CD1 4.08Å; V340-L344 HydrophobicContact CG1-CG 4.46Å; V340-L344 WeakPolarHBondContact O-CG 3.44Å; V340-L344 PolarHBondContact O-N 3.35Å
341R94.4Very high89.7Confident65 Ų6561 Ų6125%0.24531%0.314CS..Hα-helixtrans-63.4-41.7172.4-79.9175159.2-158.5-6.5112.5D276 V299 A337 W338 L339 S345D276-R341 VanDerWaalsContact CG-NH2 3.28Å; D276-R341 IonicContact OD1-CZ 2.85Å; D276-R341 IonicContact OD1-NH1 3.66Å; D276-R341 IonicContact OD1-NH2 3.4Å; D276-R341 PolarHBondContact OD1-NH2 3.38Å; D276-R341 IonicContact OD2-NH2 3.09Å; V299-R341 HydrophobicContact CB-CG 3.61Å; V299-R341 HydrophobicContact CG1-CG 3.93Å; V299-R341 HydrophobicContact CG2-CG 4.06Å; V299-R341 PolarHBondContact O-NE 3.2Å; V299-R341 VanDerWaalsContact O-NE 3.11Å; V299-R341 PolarHBondContact O-NH2 3.1Å; A337-R341 VanDerWaalsContact O-CB 3.26Å; A337-R341 WeakPolarHBondContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CD 3.4Å; A337-R341 WeakPolarHBondContact O-CG 3.3Å; A337-R341 PolarHBondContact O-N 3.32Å; A337-R341 VanDerWaalsContact O-N 3.07Å; W338-R341 PolarHBondContact O-N 3.12Å; L339-R341 PolarHBondContact O-N 3.03Å; R341-S345 WeakPolarHBondContact O-CB 3.5Å; R341-S345 PolarHBondContact O-N 2.63Å; R341-S345 PolarHBondContact O-OG 3.24Å
342Q91.9Very high89Confident106 Ų10663 Ų6350%0.49533%0.328SS..Hα-helixtrans-62.2-46.4176.9-168.4-174.232.300110.5W338 L339 S345 S346W338-Q342 VanDerWaalsContact CZ3-OE1 3.29Å; W338-Q342 WeakPolarHBondContact O-CB 3.45Å; W338-Q342 PolarHBondContact O-N 3.2Å; L339-Q342 PolarHBondContact O-N 3.24Å; Q342-S345 PolarHBondContact O-N 3.44Å; Q342-S346 PolarHBondContact O-N 3.11Å; Q342-S346 PolarHBondContact O-OG 3.43Å
343Q93.6Very high88.2Confident17 Ų1767.8 Ų67.88%0.07935%0.353CS..Hα-helixtrans-58.5-56.3177178.1162.96.400111.8R152 L339 V340 S345 S346 E347R152-Q343 PolarHBondContact O-NE2 2.77Å; L339-Q343 PolarHBondContact O-N 3.49Å; V340-Q343 PolarHBondContact O-N 3.49Å; Q343-S345 VanDerWaalsContact C-N 3.25Å; Q343-S345 PolarHBondContact O-N 3.36Å; Q343-S346 PolarHBondContact O-N 3.04Å; Q343-S346 PolarHBondContact O-OG 2.82Å; Q343-E347 HydrophobicContact CG-CG 4.42Å; Q343-E347 WeakPolarHBondContact CG-OE1 2.81Å; Q343-E347 PolarHBondContact NE2-OE1 3.32Å; Q343-E347 WeakPolarHBondContact O-CG 3.35Å; Q343-E347 PolarHBondContact O-N 3.2Å
344L92.3Very high87.4Confident25 Ų2570.6 Ų70.613%0.13137%0.369CS..Hα-helixtrans-54.7-39.4178.1-72.4169.9000112.8E297 V299 V340 Q348E297-L344 HydrophobicContact CB-CD2 3.94Å; V299-L344 HydrophobicContact CG2-CD1 4.11Å; V340-L344 HydrophobicContact CG1-CD1 4.08Å; V340-L344 HydrophobicContact CG1-CG 4.46Å; V340-L344 WeakPolarHBondContact O-CG 3.44Å; V340-L344 PolarHBondContact O-N 3.35Å; L344-Q348 WeakPolarHBondContact O-CB 3.44Å; L344-Q348 PolarHBondContact O-N 2.97Å
345S90.1Very high86.4Confident70 Ų7072.1 Ų72.149%0.4938%0.376SS..Hα-helixtrans-67.3-38179-57.60000112.3R341 Q342 Q343 T349R341-S345 WeakPolarHBondContact O-CB 3.5Å; R341-S345 PolarHBondContact O-N 2.63Å; R341-S345 PolarHBondContact O-OG 3.24Å; Q342-S345 PolarHBondContact O-N 3.44Å; Q343-S345 VanDerWaalsContact C-N 3.25Å; Q343-S345 PolarHBondContact O-N 3.36Å; S345-T349 WeakPolarHBondContact O-CB 3.43Å; S345-T349 PolarHBondContact O-N 3.12Å; S345-T349 PolarHBondContact O-OG1 3.39Å
346S87.9Confident85.1Confident54 Ų5474.5 Ų74.538%0.37839%0.392SS..Hα-helixtrans-71-41.6176.268.10000112.8Q342 Q343 Q348 T349 Q350Q342-S346 PolarHBondContact O-N 3.11Å; Q342-S346 PolarHBondContact O-OG 3.43Å; Q343-S346 PolarHBondContact O-N 3.04Å; Q343-S346 PolarHBondContact O-OG 2.82Å; S346-Q348 PolarHBondContact O-N 3.44Å; S346-T349 PolarHBondContact O-N 2.86Å; S346-Q350 WeakPolarHBondContact O-CG 3.31Å; S346-Q350 PolarHBondContact O-N 2.78Å
347E85.8Confident83.2Confident45 Ų4578.1 Ų78.121%0.2142%0.424CS..Hα-helixtrans-57.5-48.4173.5-71.1171.4-168.400110.2R152 Q343 T349 Q350 L351R152-E347 IonicContact CZ-OE1 3.71Å; R152-E347 IonicContact CZ-OE2 2.81Å; R152-E347 IonicContact NE-OE1 2.76Å; R152-E347 PolarHBondContact NE-OE1 3.21Å; R152-E347 IonicContact NE-OE2 3.66Å; R152-E347 IonicContact NH2-OE1 2.71Å; R152-E347 IonicContact NH2-OE2 2.79Å; R152-E347 PolarHBondContact NH2-OE2 2.83Å; Q343-E347 HydrophobicContact CG-CG 4.42Å; Q343-E347 WeakPolarHBondContact CG-OE1 2.81Å; Q343-E347 PolarHBondContact NE2-OE1 3.32Å; Q343-E347 WeakPolarHBondContact O-CG 3.35Å; Q343-E347 PolarHBondContact O-N 3.2Å; E347-T349 VanDerWaalsContact C-N 3.34Å; E347-T349 PolarHBondContact O-N 3.48Å; E347-Q350 PolarHBondContact O-N 2.81Å; E347-L351 WeakPolarHBondContact O-CG 3.37Å; E347-L351 PolarHBondContact O-N 3.45Å
348Q82.9Confident80.6Confident112 Ų11280 Ų8052%0.52344%0.443SS..Hα-helixtrans-64.2-35.5177.3-171.6169.721.600113L344 S346 T352L344-Q348 WeakPolarHBondContact O-CB 3.44Å; L344-Q348 PolarHBondContact O-N 2.97Å; S346-Q348 PolarHBondContact O-N 3.44Å; Q348-T352 WeakPolarHBondContact O-CB 3.39Å; Q348-T352 PolarHBondContact O-N 2.77Å; Q348-T352 PolarHBondContact O-OG1 3.04Å
349T82.1Confident78.2Confident80 Ų8079.2 Ų79.249%0.49146%0.458SS..Hα-helixtrans-68-44.3176.8-57.90000111.2S345 S346 E347 T352 L353S345-T349 WeakPolarHBondContact O-CB 3.43Å; S345-T349 PolarHBondContact O-N 3.12Å; S345-T349 PolarHBondContact O-OG1 3.39Å; S346-T349 PolarHBondContact O-N 2.86Å; E347-T349 VanDerWaalsContact C-N 3.34Å; E347-T349 PolarHBondContact O-N 3.48Å; T349-T352 PolarHBondContact O-N 3.28Å; T349-L353 HydrophobicContact CG2-CD1 4.24Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 3.04Å
350Q80Confident75.5Confident128 Ų12882.1 Ų82.160%0.59848%0.483SS*.Hα-helixtrans-61.5-45.8176.5-71.9-178.510.300111.9S346 E347 T352 L353 V354S346-Q350 WeakPolarHBondContact O-CG 3.31Å; S346-Q350 PolarHBondContact O-N 2.78Å; E347-Q350 PolarHBondContact O-N 2.81Å; Q350-T352 VanDerWaalsContact C-N 3.31Å; Q350-T352 PolarHBondContact O-N 3.49Å; Q350-L353 PolarHBondContact O-N 3.21Å; Q350-V354 WeakPolarHBondContact O-CG2 3.47Å; Q350-V354 PolarHBondContact O-N 2.96Å
351L76Confident72.7Confident115 Ų11590.4 Ų90.460%0.60252%0.522SS*.Hα-helixtrans-59.2-42.6175.3-70.9171.3000111.8E347 L353 V354 L355E347-L351 WeakPolarHBondContact O-CG 3.37Å; E347-L351 PolarHBondContact O-N 3.45Å; L351-L353 PolarHBondContact O-N 3.42Å; L351-V354 PolarHBondContact O-N 3.04Å; L351-L355 WeakPolarHBondContact O-CB 3.02Å; L351-L355 VanDerWaalsContact O-CG 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.44Å; L351-L355 PolarHBondContact O-N 3.33Å
352T78.1Confident70Confident76 Ų7693.8 Ų93.847%0.46655%0.552SS.*Hα-helixtrans-61.9-42.8177.3-55.20000111.7Q348 T349 Q350 S356Q348-T352 WeakPolarHBondContact O-CB 3.39Å; Q348-T352 PolarHBondContact O-N 2.77Å; Q348-T352 PolarHBondContact O-OG1 3.04Å; T349-T352 PolarHBondContact O-N 3.28Å; Q350-T352 VanDerWaalsContact C-N 3.31Å; Q350-T352 PolarHBondContact O-N 3.49Å; T352-S356 VanDerWaalsContact O-CB 3.27Å; T352-S356 WeakPolarHBondContact O-CB 3.42Å; T352-S356 PolarHBondContact O-N 2.94Å; T352-S356 PolarHBondContact O-OG 3.32Å
353L77.8Confident67Low115 Ų11597.9 Ų97.960%0.60257%0.571SS**Hα-helixtrans-65.8-44.2177.2-71.6169.4000112.3T349 Q350 L351 S356 A357T349-L353 HydrophobicContact CG2-CD1 4.24Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 3.04Å; Q350-L353 PolarHBondContact O-N 3.21Å; L351-L353 PolarHBondContact O-N 3.42Å; L353-S356 PolarHBondContact O-N 3.46Å; L353-A357 WeakPolarHBondContact O-CB 3.28Å; L353-A357 PolarHBondContact O-N 3.36Å
354V75.2Confident64.1Low107 Ų107100.4 Ų100.465%0.64860%0.601SS**Hα-helixtrans-63-44.1178.2170.70000111.3Q350 L351 S356 A357Q350-V354 WeakPolarHBondContact O-CG2 3.47Å; Q350-V354 PolarHBondContact O-N 2.96Å; L351-V354 PolarHBondContact O-N 3.04Å; V354-S356 VanDerWaalsContact C-N 3.35Å; V354-A357 PolarHBondContact O-N 3.46Å
355L70.9Confident61.2Low143 Ų143107.6 Ų107.675%0.74964%0.639SS**Hα-helixtrans-68.1-33.6177-68.1170.4000112.4L351 A357L351-L355 WeakPolarHBondContact O-CB 3.02Å; L351-L355 VanDerWaalsContact O-CG 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.44Å; L351-L355 PolarHBondContact O-N 3.33Å; L355-A357 VanDerWaalsContact C-N 3.29Å; L355-A357 PolarHBondContact O-N 3.42Å
356S62.8Low58.3Low93 Ų93110.1 Ų110.165%0.6566%0.657SS**Hα-helixtrans-76.5-12.9176.7-55.20000114T352 L353 V354T352-S356 VanDerWaalsContact O-CB 3.27Å; T352-S356 WeakPolarHBondContact O-CB 3.42Å; T352-S356 PolarHBondContact O-N 2.94Å; T352-S356 PolarHBondContact O-OG 3.32Å; L353-S356 PolarHBondContact O-N 3.46Å; V354-S356 VanDerWaalsContact C-N 3.35Å
357A53.4Low55.8Low85 Ų85116.2 Ų116.270%0.70268%0.684SS**THydrogen-bonded Turntrans-89.2-1.9177.600000113.6L353 V354 L355L353-A357 WeakPolarHBondContact O-CB 3.28Å; L353-A357 PolarHBondContact O-N 3.36Å; V354-A357 PolarHBondContact O-N 3.46Å; L355-A357 VanDerWaalsContact C-N 3.29Å; L355-A357 PolarHBondContact O-N 3.42Å
358G39.8Very low53.1Low39 Ų39123.3 Ų123.340%0.40272%0.717SS.*SBendtrans-73.1140.8172.600000112.2S360G358-S360 PolarHBondContact O-N 3.36Å
359P41.9Very low50.3Low143 Ų143123.1 Ų123.193%0.92973%0.729SS**  trans-78.385.6-179.231.8-35.3000111.9
360S35.1Very low48.2Very low107 Ų107124.6 Ų124.675%0.74874%0.739SS**  trans-104.5135.3169.355.50000111.9G358G358-S360 PolarHBondContact O-N 3.36Å
361Q35Very low45.7Very low174 Ų174126.6 Ų126.681%0.81375%0.749SS**  trans-69.4148.9173.8-68.5-179.3-25.200111.3E363Q361-E363 PolarHBondContact O-N 2.97Å; Q361-E363 VanDerWaalsContact O-N 3.15Å
362P36.5Very low43.7Very low136 Ų136126.9 Ų126.988%0.88376%0.755SS**  trans-81.791.2179.332.5-34.3000111.7
363E30.8Very low41.3Very low191 Ų191130.9 Ų130.989%0.89377%0.773SS**  trans-87.4126.4167.5-76.7-169.2100.900112.4Q361Q361-E363 PolarHBondContact O-N 2.97Å; Q361-E363 VanDerWaalsContact O-N 3.15Å
364G31.2Very low38.9Very low70 Ų70130.4 Ų130.472%0.72278%0.779SS**  trans83.675.7142.300000119.4
365L32.2Very low36.9Very low176 Ų176130.7 Ų130.792%0.92179%0.786SS**  trans-127.394.7147.3-78.3-177.7000111.2
366S29.3Very low35.7Very low124 Ų124129 Ų12987%0.86778%0.784SS**  trans-174.1104.9154.1-840000111
367L34.2Very low34.2Very low181 Ų181131 Ų13195%0.94879%0.787SS**  trans-105.796.6163.9-95.1172.7000108.9
368Q29.1Very low33.4Very low194 Ų194134.3 Ų134.391%0.90779%0.788SS**  trans-156.7110.1165.1-115165.840.500111.4
369S24.5Very low32.8Very low109 Ų109137.6 Ų137.676%0.76280%0.8SS**  trans-90.9158.1155.156.40000107.7
370P38.1Very low32.1Very low110 Ų110139.6 Ų139.671%0.71479%0.794SS**  cis-148.2-169.942.945-24.7000117.5
371E28Very low32.1Very low170 Ų170140.6 Ų140.679%0.79480%0.796SS**  trans69106.7155.8-76.5176.6162.700120.9
372T34.6Very low32.3Very low121 Ų121138.4 Ų138.474%0.74280%0.797SS**  trans39.4124.7135.261.10000120.5
373L27.8Very low31.9Very low160 Ų160135.1 Ų135.184%0.83879%0.788SS**  -170.3141.2103.7-97.9165.4000113
374S26.7Very low32Very low105 Ų105131.6 Ų131.673%0.73478%0.784SS**  trans42.4115.7150.1-54.10000122.3
375S32.9Very low31.9Very low114 Ų114134.2 Ų134.280%0.79779%0.792SS**  trans-66.1169.3142.1-46.80000111
376P46.7Very low31.7Very low106 Ų106129 Ų12969%0.68878%0.781SS**  -148.916099.440.1-25.4000116
377D30.7Very low31.9Very low135 Ų135131.8 Ų131.872%0.72279%0.785SS**  trans58.1153.5139.2-68.211.3000121.1
378Q36.5Very low31.6Very low156 Ų156129.2 Ų129.273%0.72978%0.782SS**  cis-169162.1-8.1-107.3-175.170.300106.2
379V26.5Very low31.7Very low107 Ų107123.4 Ų123.465%0.64877%0.767SS**  cis-170.4-170.7-10.967.80000108.8
380F27.9Very low32Very low185 Ų185127 Ų12781%0.81177%0.772SS**  trans73.499.5169.6-76.2-54.2000120.8
381T33.9Very low31.6Very low128 Ų128126 Ų12679%0.78577%0.768SS**  trans-83.5152.1131.152.80000109.3
382P40.7Very low31.6Very low128 Ų128126.9 Ų126.983%0.83177%0.769SS**  -151.4-174.474.540.7-21.5000114.8
383G28.4Very low31.3Very low67 Ų67127.6 Ų127.669%0.69177%0.769SS**  trans165.1-3.7155.100000126.1
384S31.6Very low31.3Very low117 Ų117128.9 Ų128.982%0.81877%0.768SS**  trans65.1146.4160.2-52.20000122.5
385S30Very low31.4Very low126 Ų126127.9 Ų127.988%0.88176%0.761SS**  trans73.8128.7154.7-54.60000120
386G27.7Very low31Very low67 Ų67129.4 Ų129.469%0.69177%0.765SS**  cis165.2172.2-8.600000114.4
387L32.6Very low30Very low182 Ų182129.1 Ų129.195%0.95377%0.772SS**  trans71.3143.3174.8-46.4177.9000115.5
388S29.6Very low29.7Very low127 Ų127125.9 Ų125.989%0.88877%0.771SS**  cis-150.1180-10.8-161.50000110.5
389A29.6Very low29.1Very low72 Ų72124.6 Ų124.660%0.59578%0.777SS**  trans-105.5161.2-157.100000118.5
390Q32.3Very low29.2Very low184 Ų184125 Ų12586%0.8679%0.785SS**  trans65.1163.1140.9-76.7162.7-13.200121.6
391S29.7Very low29.1Very low90 Ų90122.9 Ų122.963%0.62979%0.787SS**  cis-177.2138.1-41.2560000113.1
392F27Very low28.8Very low187 Ų187120.1 Ų120.182%0.8278%0.784SS**  trans50.2132.6157.4-67.7-71.3000124.1
393D27.6Very low28.1Very low137 Ų137119.9 Ų119.973%0.73379%0.785SS**  trans39.6154.8134.8-62.9-19.6000123.2
394F27.8Very low28.1Very low186 Ų186121.2 Ų121.282%0.81678%0.784SS**  cis-151.1-170.812.5-155.7-112.1000112.9
395S29.2Very low27.8Very low85 Ų85123.6 Ų123.659%0.59479%0.788SS**  trans-73153.4-166.9-48.70000120.2
396T24.6Very low27.8Very low145 Ų145125.3 Ų125.389%0.8978%0.782SS**  163.9163.7121.7-64.90000113.7
397A26.1Very low28.4Very low100 Ų100128 Ų12883%0.82679%0.787SS**  trans-67.7167-17200000117.1
398G23.7Very low28.1Very low68 Ų68122 Ų12270%0.70177%0.77SS**  cis166.5-166.8-300000115.1
399C25.1Very low28Very low128 Ų128121.3 Ų121.387%0.86577%0.765SS**  trans71.1114.8166.4-67.80000122.9
400S28.1Very low27.9Very low115 Ų115122.5 Ų122.580%0.80477%0.769SS**  trans59.8170.4144.2-50.20000118.4
401V26.7Very low27.6Very low141 Ų141121.8 Ų121.886%0.85577%0.769SS**  cis-140.5157.511.2-179.70000106.7
402G27Very low27.4Very low70 Ų70121.9 Ų121.972%0.72278%0.776SS**  cis135.11352.500000111.1
403S25.9Very low27.3Very low123 Ų123121.5 Ų121.586%0.8678%0.776SS**  trans-162.5151.5-177.91760000110.9
404S28.6Very low28.1Very low96 Ų96119.6 Ų119.667%0.67177%0.771SS**  cis178.1131.5-27.4173.70000106.1
405D24.6Very low28.2Very low167 Ų167118.1 Ų118.189%0.89377%0.769SS**  trans-167.1146.4145-101.4-26.4000111
406E31.3Very low28.3Very low161 Ų161121 Ų12175%0.75277%0.773SS**  trans-113.7-178.7-176.1-104.4-76.910500108.4G408E406-G408 PolarHBondContact OE2-N 2.77Å; E406-G408 VanDerWaalsContact OE2-N 3.12Å
407P39.7Very low28.7Very low123 Ų123120.1 Ų120.180%0.79976%0.762SS**  cis-143.8156.22439.7-18.4000120.9
408G24.9Very low28.8Very low58 Ų58123.9 Ų123.960%0.59876%0.762SS**  113.2134116.900000123.1E406E406-G408 PolarHBondContact OE2-N 2.77Å; E406-G408 VanDerWaalsContact OE2-N 3.12Å
409S27.6Very low28.8Very low112 Ų112123.8 Ų123.878%0.78376%0.762SS**  trans88.578.3142.7-165.50000122.8
410S27.7Very low29Very low97 Ų97125.8 Ų125.868%0.67876%0.764SS**  31.5139.3125.7640000124
411I25.8Very low30.4Very low169 Ų169125.2 Ų125.287%0.86776%0.758SS**  176.1149.9115.6-89.8160000114.1
412A25.5Very low30.5Very low92 Ų92130.5 Ų130.576%0.7676%0.762SS**  trans-29.7166.1-179.900000126.1
413E26.7Very low30.5Very low179 Ų179132.9 Ų132.984%0.83677%0.768SS**  trans-55.3-177.5148.1-78.5-164.6104.600113.9
414P44.4Very low30.8Very low97 Ų97132.4 Ų132.463%0.6377%0.765SS**  cis-145.8-164.715.744.8-23.9000118
415M28.6Very low30.7Very low155 Ų155136.3 Ų136.376%0.76478%0.776SS**  trans78.2145148.6-82.4179.9166.600120.4
416Q32.3Very low30.6Very low146 Ų146133.1 Ų133.168%0.68277%0.767SS**  cis-168.1172.5-17.6-139.1-177.9-10.400113.2
417L32.6Very low30.5Very low126 Ų126130.7 Ų130.766%0.6677%0.767SS**  trans73155161.5-100.666.2000116.8
418E27.1Very low30Very low178 Ų178131.9 Ų131.983%0.83277%0.767SS**  cis-160.1154.9-9.4-161.4160.9-112.100108.7
419G25.4Very low30.1Very low67 Ų67137.5 Ų137.569%0.69178%0.777SS**  cis177142.7-14.200000113.6
420D28.9Very low30Very low170 Ų170140.2 Ų140.291%0.90978%0.778SS**  trans56.9157150.3-91.923.7000124.7
421P57.6Low30.1Very low103 Ų103143.6 Ų143.667%0.66978%0.782SS**  trans-132.2-174.3-139.544.6-29.1000115.9
422R27.3Very low30.1Very low251 Ų251139.1 Ų139.195%0.94777%0.766SS**  trans-140.9164.6160.5-63.6-158.5101.772.9-1.3112.7
423S28.8Very low30Very low120 Ų120143.2 Ų143.284%0.83977%0.767SS**  trans-125.6175.6-166.449.80000114.2
424S32.2Very low30Very low114 Ų114143.6 Ų143.680%0.79777%0.766SS**  trans-74.1154-167.4-28.70000116.9
425I25.7Very low29.2Very low178 Ų178147.3 Ų147.391%0.91378%0.775SS**  trans-160179.114742.2169000110.9
426S22.8Very low29.9Very low100 Ų100145.1 Ų145.170%0.69977%0.773SS**  trans-141.7159.8-169.456.90000113.5
427S29Very low30.7Very low109 Ų109143.4 Ų143.476%0.76277%0.774SS**  trans71.5160.2162-45.10000115.9
428L28.5Very low30.6Very low149 Ų149142.7 Ų142.778%0.7878%0.777SS**  cis-151.5-159.5-9.7-151.691.8000109.4
429E26.8Very low30.5Very low176 Ų176139.9 Ų139.982%0.82277%0.772SS**  trans75.2148.1167.2-64.6162.6169.900115.6
430E26.6Very low30.7Very low169 Ų169144 Ų14479%0.7977%0.774SS**  cis-149.8142.311.3-149.4-175.5101.900111.9
431E28.6Very low30.4Very low167 Ų167142.6 Ų142.678%0.7877%0.771SS**  trans31.3163.6146.2-71.1-152-165.800125.2
432S26.6Very low29Very low75 Ų75143.7 Ų143.752%0.52477%0.771SS.*  cis-162.8165.91.8-128.50000114.8
433F23.5Very low28.9Very low179 Ų179137.3 Ų137.379%0.78577%0.765SS**  trans66.3145.7158.2-74.8-141.3000119.9
434F26.1Very low28.8Very low187 Ų187136.4 Ų136.482%0.8277%0.765SS**  cis-160.4-178.3-30.5-118.7-62000110.6
435Q28.8Very low28.5Very low174 Ų174135.6 Ų135.681%0.81377%0.765SS**  trans-130.8-168-160.1-121.5-177.5-4.600112.1
436P42.8Very low28.6Very low109 Ų109132.9 Ų132.971%0.70876%0.762SS**  cis-131.5-122.4-1827.11000115.2
437P48.1Very low29.1Very low111 Ų111133.4 Ų133.472%0.72177%0.765SS**  -129.8-175.2-106.243.8-25.7000118.2
438P30.5Very low29.8Very low111 Ų111132.9 Ų132.972%0.72176%0.759SS**  trans-135.5143.5132.135.8-23.4000113.6
439T26.1Very low30Very low118 Ų118131.9 Ų131.972%0.72476%0.759SS**  56.7113.275.339.80000115.9
440E28.7Very low30.9Very low155 Ų155128.7 Ų128.772%0.72475%0.754SS**  82.2137.573.3-78-159.314900114.7
441T22.9Very low30.9Very low139 Ų139126.2 Ų126.285%0.85375%0.75SS**  -140.6149.98949.80000116.9
442L27.9Very low31Very low127 Ų127124.2 Ų124.267%0.66575%0.749SS**  trans-68.8160.5164.3-62.3100.6000112.1
443S25.4Very low31.1Very low117 Ų117125.8 Ų125.882%0.81876%0.756SS**  -175.416969.7-53.60000109.8
444A26.4Very low31.3Very low101 Ų101125 Ų12584%0.83575%0.754SS**  cis-146.1178.27.500000111
445A26.4Very low31.6Very low97 Ų97121.7 Ų121.780%0.80275%0.75SS**  trans-86.7151.6-176.700000114.7
446S28.4Very low31.6Very low121 Ų121119.3 Ų119.385%0.84675%0.747SS**  -176.4133.2120.643.10000113.4
447S33.8Very low31Very low111 Ų111117.7 Ų117.778%0.77674%0.742SS**  trans-103160.4136.869.50000106.2
448P43.1Very low30.2Very low98 Ų98118.7 Ų118.764%0.63674%0.742SS**  -155148.277.639.8-20.1000117.3
449T33Very low30.2Very low127 Ų127120.4 Ų120.478%0.77974%0.744SS**  trans65.6166.813961.10000120.5
450P45.5Very low30.4Very low109 Ų109120.3 Ų120.371%0.70874%0.739SS**  -136.7-142-51.739.9-21.7000111
451V27.4Very low30.4Very low117 Ų117121.2 Ų121.271%0.70974%0.741SS**  trans84.6104168.4-174.70000113.9
452T30.3Very low31.1Very low125 Ų125120.7 Ų120.777%0.76773%0.733SS**  66.314557.466.70000115.1
453V28.4Very low31.4Very low109 Ų109120 Ų12066%0.66173%0.733SS**  cis-170.3175.5-2572.50000106.3
454E27.2Very low32Very low161 Ų161121.6 Ų121.675%0.75273%0.728SS**  trans63.1172.6169.9-75.5157.3-172.400114.5
455T32.3Very low32.3Very low119 Ų119122.2 Ų122.273%0.7372%0.718SS**  cis-113.8154.4-0.152.40000109.7
456V29.1Very low32.7Very low123 Ų123123.7 Ų123.775%0.74571%0.711SS**  60.3129.953.8174.80000111
457A29.5Very low32.7Very low75 Ų75125.4 Ų125.462%0.6271%0.709SS**  cis-161.8-144.8-19.800000107.5
458D31.8Very low32.6Very low133 Ų133128.3 Ų128.371%0.71172%0.715SS**  trans74.9120.3159.6-62.2-11.7000117.6
459L31.1Very low33.3Very low146 Ų146128.9 Ų128.976%0.76472%0.719SS**  76.6138.562.6-87.970.4000112.2
460D30.3Very low33.8Very low117 Ų117129 Ų12963%0.62672%0.722SS**  cis-167.9-166.2-19.7-147.1-33.2000108.4
461F29Very low33Very low174 Ų174128.8 Ų128.876%0.76372%0.723SS**  trans80.3110.3171.5-65-92.5000115.6
462L36.6Very low33.1Very low128 Ų128132 Ų13267%0.6773%0.727SS**  73.5135.555.6-61167.9000112
463T34.5Very low32.9Very low111 Ų111133.7 Ų133.768%0.68173%0.727SS**  cis-152.1169.710.13.10000109
464Q37.6Very low32.9Very low151 Ų151135.9 Ų135.971%0.70673%0.734SS**  cis-151.6-165.621.4-125.9160.187.800106.8
465N32.3Very low32.7Very low115 Ų115135.2 Ų135.262%0.61574%0.736SS**  cis-167.8169.45.8-121.6-23000107
466I34.9Very low33.8Very low128 Ų128135 Ų13566%0.65674%0.736SS**  cis-159.1141.1-10.8-163.4165.3000110.7
467L28.8Very low34.3Very low157 Ų157134.7 Ų134.782%0.82274%0.737SS**  trans52.8155.3157.1-72.7168.2000123.3
468L32.1Very low34.1Very low172 Ų172138.4 Ų138.490%0.90175%0.746SS**  trans-147.2165.3-172-88.8166.5000112.9
469P57.7Low34.2Very low110 Ų110137.8 Ų137.871%0.71475%0.749SS**  trans-116.8174.9-15244-38.3000119.2
470P43.6Very low33.7Very low128 Ų128138 Ų13883%0.83175%0.75SS**  trans-99.8-170.8176.140.6-37.2000115.7
471S29Very low34Very low105 Ų105137.2 Ų137.273%0.73475%0.751SS**  trans-156.4174.1-176.650.20000116
472F29Very low33.7Very low184 Ų184135 Ų13581%0.80775%0.752SS**  trans97.5123.4158-83.7-78.3000125.9
473Q25.8Very low33.2Very low161 Ų161133.7 Ų133.775%0.75275%0.754SS**  86143.9129.5-116.8177.4-32.400128.6
474L29.8Very low32.8Very low156 Ų156137.4 Ų137.482%0.81776%0.763SS**  trans107.3154.3148.3-74.3155.5000123.8
475D21.8Very low32.2Very low147 Ų147133.6 Ų133.679%0.78676%0.758SS**  trans-113.5-178.4-156.3-82.8-68.1000117.1
476P55.6Low31.8Very low114 Ų114136.8 Ų136.874%0.7477%0.769SS**  cis-120.6-116.4-12.333.3-9.5000113
477P39.9Very low31.5Very low117 Ų117139 Ų13976%0.7678%0.777SS**  cis-138.5-138.313.545.3-21.4000117
478L24.9Very low31.2Very low153 Ų153137.5 Ų137.580%0.80177%0.774SS**  trans-146.2170.6-177.7-92171000110.8
479P33Very low30.9Very low120 Ų120137.6 Ų137.678%0.77977%0.767SS**  cis-146.6-166.229.445-22.9000119
480L21.3Very low29.3Very low150 Ų150139 Ų13979%0.78576%0.764SS**  trans-74.9-169170.4-73.197000113.5
481P36.2Very low28.5Very low100 Ų100142.4 Ų142.465%0.64977%0.766SS**  cis-147.3-178.86.541.2-18.8000120.3
482T23.5Very low28.3Very low127 Ų127143.7 Ų143.778%0.77977%0.77SS**  trans65154.8152.244.10000119.7
483S26.2Very low28.2Very low102 Ų102140.7 Ų140.771%0.71377%0.77SS**  cis-145.4142.625.9-61.50000111.4
484Q25.2Very low28.4Very low188 Ų188138.7 Ų138.788%0.87977%0.769SS**  44.9141.497.2-70.5-170.6-10.100118
485A24.7Very low28.4Very low72 Ų72137 Ų13760%0.59577%0.767SS**  cis-173.4160.2-10.600000112.4
486Q24.5Very low29Very low182 Ų182136.1 Ų136.185%0.8577%0.769SS**  trans62.3149.1154.7-67.8163.5-14.400117.5
487Q28.1Very low27.7Very low175 Ų175140.7 Ų140.782%0.81877%0.773SS**  cis-149.5163.943.5-74.4179.3-5.800114.9
488T23.7Very low27.2Very low124 Ų124140.4 Ų140.476%0.76177%0.77SS**  trans-33.1153.9156.151.20000115.2
489K24.8Very low27.5Very low174 Ų174138.8 Ų138.876%0.75777%0.769SS**  -167.6174.455-168162.7176.3178.10113.3
490E25.3Very low27.3Very low139 Ų139141.7 Ų141.765%0.6577%0.772SS**  trans-47.9147.2176.3-52.7132.3139.800115
491F26.9Very low28Very low201 Ų201140.3 Ų140.388%0.88277%0.769SS**  -171.9169.8110.9-104.5-69000112.9
492V25.2Very low27.4Very low132 Ų132137.6 Ų137.680%0.876%0.759SS**  trans-86140.7-176.4171.90000111.3
493C25.2Very low27.6Very low121 Ų121133 Ų13382%0.81874%0.738SS**  trans-163.8161139.1-118.50000115.1
494T31Very low27.8Very low118 Ų118134.1 Ų134.172%0.72474%0.74SS**PPolyproline II helixtrans-74153.5-172.7450000115.5
495P30.1Very low28Very low122 Ų122130 Ų13079%0.79273%0.732SS**PPolyproline II helixtrans-82.6136.3166.233.9-32.4000112.3
496P33.8Very low27.9Very low127 Ų127136.2 Ų136.283%0.82575%0.746SS**PPolyproline II helixtrans-95.8150.2164.734.3-29.7000112.9
497Y27.7Very low28.1Very low210 Ų210135.8 Ų135.882%0.82474%0.744SS**PPolyproline II helixtrans-82.1160.8-174.2-107.2-121.1000114.3
498T30.8Very low28.1Very low111 Ų111136.6 Ų136.668%0.68175%0.745SS**  trans45.8138.3149.150.50000122.2
499P30Very low28Very low120 Ų120136.2 Ų136.278%0.77974%0.738SS**  trans-77.8142.2158.734.5-32.3000111.7
500Q28.4Very low28Very low181 Ų181135.4 Ų135.485%0.84674%0.737SS**  trans-131.2160.4149.4-81.2-66100108.4
501V36.1Very low28.7Very low120 Ų120133.1 Ų133.173%0.72773%0.734SS**  trans-77.7163-172.2176.50000111.4D593V501-D593 VanDerWaalsContact O-OD1 3.05Å
502G24.8Very low28.7Very low43 Ų43130 Ų13044%0.44373%0.726SS.*  trans-173.6145.4161.900000113.7D593G502-D593 VanDerWaalsContact CA-CG 3.44Å; G502-D593 WeakPolarHBondContact CA-OD1 3.29Å; G502-D593 WeakPolarHBondContact CA-OD2 3.34Å
503G28.2Very low28.6Very low32 Ų32133 Ų13333%0.3373%0.729SS.*  trans-105.3-163.917100000112.3S594G503-S594 WeakPolarHBondContact O-CB 3.21Å
504T28.9Very low28.5Very low125 Ų125131.7 Ų131.777%0.76772%0.721SS**  cis-152.1158.9-5.455.80000111.2
505S31Very low28.1Very low100 Ų100135.8 Ų135.870%0.69973%0.729SS**  trans70.3149.315182.40000122.2
506F21.5Very low27.7Very low204 Ų204136.8 Ų136.890%0.89573%0.728SS**  -163.7164.8129.8-113.7-73.3000111.2
507Q28.8Very low28.2Very low173 Ų173135.5 Ų135.581%0.80872%0.719SS**  trans-138160.2-176.5-72.2-175.3-20.100113.2
508F27Very low28.1Very low192 Ų192131.9 Ų131.984%0.84272%0.72SS**  trans-162.2154.1157.9-79-89.8000106.6
509N23.1Very low28.2Very low115 Ų115129.8 Ų129.862%0.61572%0.72SS**  cis-150.7156.5-22.2-115.438.3000106.6
510E24.8Very low28.1Very low158 Ų158130.8 Ų130.874%0.73872%0.724SS**  68.2148.762.7-116.5-138.614800114.8
511P39.6Very low28Very low90 Ų90127.5 Ų127.558%0.58472%0.716SS**  cis-141.4-171.48.845.7-27.6000117.7
512L27.2Very low27.7Very low135 Ų135127.6 Ų127.671%0.70772%0.718SS**  trans68.5115.2160.1-66.6169.5000118.4
513F23.3Very low28.8Very low195 Ų195131.4 Ų131.486%0.85574%0.735SS**  cis-159171.347.2-105.7-78000112.3
514S23.3Very low29.9Very low94 Ų94135.5 Ų135.566%0.65776%0.755SS**  trans-116.4151.4-173.255.20000115.2
515F21.8Very low31.1Very low205 Ų205135 Ų13590%0.89975%0.754SS**  -172.4154.7120.1-118.5-88.3000112.8
516D22.2Very low31.2Very low142 Ų142136 Ų13676%0.75976%0.761SS**  trans-90.4-174.1170.6-145.923.5000109.1
517P42.8Very low31.6Very low100 Ų100130.3 Ų130.365%0.64975%0.751SS**  cis-138.7-166.8-5.544.9-26.9000114.8
518T27.2Very low31.6Very low135 Ų135128.1 Ų128.183%0.82875%0.75SS**  trans-69.4135.8158.448.20000114
519G31.3Very low31.6Very low67 Ų67125.3 Ų125.369%0.69175%0.749SS**  trans110.1128.5130.800000121.2
520T28.8Very low31.8Very low140 Ų140123.8 Ų123.886%0.85975%0.752SS**  trans88.3143.4149.6-29.20000119.8
521T26.4Very low31.9Very low112 Ų112122.1 Ų122.169%0.68775%0.753SS**  trans121100.2140-38.80000118.9
522T30.2Very low31.3Very low123 Ų123122.8 Ų122.876%0.75576%0.76SS**  trans54.3147.4148.264.40000124.5
523P48.2Very low31.2Very low123 Ų123121.6 Ų121.680%0.79976%0.763SS**  -111.916212538.9-33.5000111
524P50.3Low31.4Very low117 Ų117118.1 Ų118.176%0.7676%0.758SS**  -154.6-168.588.642.4-23000114.4
525P55.3Low31.8Very low115 Ų115118.2 Ų118.275%0.74776%0.758SS**  -143.2148.4127.637.7-24.9000116.3
526S31.3Very low32.2Very low122 Ų122116.5 Ų116.585%0.85376%0.758SS**  trans57.1147.6145-60.60000122.4
527A30.3Very low32.6Very low83 Ų83113.6 Ų113.669%0.68675%0.753SS**  cis-165.6145.6-18.500000111.8
528T29.3Very low32.9Very low128 Ų128114.4 Ų114.479%0.78576%0.759SS**  trans46.3124154-17.50000123.2
529T26.3Very low33.2Very low132 Ų132112.9 Ų112.981%0.8175%0.754SS**  trans81.9125145.915.70000123.3
530A27.4Very low33.2Very low83 Ų83114.1 Ų114.169%0.68676%0.757SS**  109.4115.3125.800000121.2
531T27.4Very low33.4Very low124 Ų124113 Ų11376%0.76176%0.755SS**  trans59.5100.4139.346.30000122.7
532S27.3Very low33.6Very low103 Ų103112.6 Ų112.672%0.7276%0.757SS**  71.3160.2116.774.10000122
533S26Very low33.5Very low111 Ų111112.8 Ų112.878%0.77676%0.758SS**  trans69.3158.3176.982.40000114.7
534T27.1Very low32.9Very low122 Ų122111.3 Ų111.375%0.74876%0.756SS**  cis-164.3166.6-27.4-91.50000106
535S31.1Very low33.2Very low95 Ų95111.2 Ų111.266%0.66476%0.756SS**  trans-46.6152.6174.757.40000115.7
536L30.8Very low33.4Very low170 Ų170111.2 Ų111.289%0.8976%0.755SS**  -174.8156.2122.8-100.3162.8000114.8
537A30.1Very low33.6Very low80 Ų80110.8 Ų110.866%0.66175%0.748SS**  trans-121.5-147.1158.600000105.8
538P49.5Very low33.7Very low118 Ų118111.9 Ų111.977%0.76675%0.746SS**  cis-122.8-131.7-21.233.1-7.9000108.6
539S33.3Very low33.9Very low103 Ų103112 Ų11272%0.7275%0.747SS**  cis-166.4133.1-837.50000111.1
540A31.8Very low35.2Very low93 Ų93111.3 Ų111.377%0.76974%0.744SS**  trans-156.4117.6151.100000107.5
541S32.9Very low35.4Very low116 Ų116112.5 Ų112.581%0.81175%0.748SS**  cis75.9142.637.494.70000113
542S30.1Very low36.5Very low103 Ų103112.1 Ų112.172%0.7275%0.747SS**  cis-161.1169.90.8101.50000108.4
543T28.6Very low36.7Very low127 Ų127111.8 Ų111.878%0.77975%0.751SS**  cis-165.6160.97.2-92.20000108.7
544A34.3Very low38.3Very low92 Ų92112 Ų11276%0.7675%0.75SS**  trans-135155.9165.600000111.3
545P57.3Low39.1Very low116 Ų116112.2 Ų112.275%0.75375%0.754SS**  trans-151.9-179.4132.538.7-22.1000113.9
546P59.6Low38.9Very low114 Ų114113.2 Ų113.274%0.7476%0.756SS**  cis-111.8-127.8-5.717.39.1000110.9
547T35.2Very low38.7Very low113 Ų113110.8 Ų110.869%0.69375%0.748SS**  cis-170.9157.5-3.11.40000106.5
548T32.7Very low38.4Very low107 Ų107114.9 Ų114.966%0.65676%0.758SS**  cis-172.7120.4-30.1220000110.9
549T33.9Very low37.3Very low129 Ų129114 Ų11479%0.79175%0.754SS**  47.3160.7128.858.80000123.5
550P52.4Low36.9Very low118 Ų118114.7 Ų114.777%0.76676%0.755SS**  cis-119.4154.44.739.6-24.7000115
551S31.9Very low36.7Very low109 Ų109119.6 Ų119.676%0.76276%0.759SS**  70.9154.774-146.10000115.2
552P50.5Low36.5Very low115 Ų115121.7 Ų121.775%0.74776%0.76SS**  cis-129.9148.8-4.216.110.9000116
553A32Very low36.5Very low97 Ų97122.2 Ų122.280%0.80276%0.761SS**  106.5160.398.400000116.6
554P59.5Low36.3Very low114 Ų114123.9 Ų123.974%0.7476%0.764SS**  trans-119.8-171.1-155.745.5-33.9000115.5
555P43.4Very low35.7Very low128 Ų128125.2 Ų125.283%0.83177%0.768SS**  -149.2-162.890.442.8-24.7000115.3
556T27.1Very low34.2Very low115 Ų115126.7 Ų126.771%0.70677%0.768SS**  trans-127.1170.2-169.155.80000114.9
557T25.8Very low33Very low120 Ų120126.8 Ų126.874%0.73677%0.769SS**  trans77.3152.4143.839.40000122.9
558L25.5Very low32.5Very low165 Ų165126.4 Ų126.486%0.86477%0.767SS**  trans78.8141.8165.7-62.3149.1000117.7
559S24.9Very low32.1Very low99 Ų99129 Ų12969%0.69278%0.776SS**  cis153.7149-27.6174.10000109.2
560T25.1Very low31.9Very low119 Ų119127.2 Ų127.273%0.7377%0.769SS**  trans125.7138.8143.3-36.10000115.7
561K26.9Very low30.7Very low196 Ų196127 Ų12785%0.85277%0.765SS**  trans89103.9164.5-56-167.8179.8178.60119.9
562L28.8Very low30.5Very low160 Ų160127.6 Ų127.684%0.83876%0.76SS**  trans-70.8159.7136.5-89156.9000109.3
563P31.3Very low29.4Very low113 Ų113129.1 Ų129.173%0.73476%0.761SS**  -150.9175.553.642.8-22.2000119.4
564L23.4Very low29.2Very low162 Ų162130 Ų13085%0.84875%0.752SS**  trans-6.4126.2157.5-65.1154.6000120.2
565S22.6Very low27.8Very low120 Ų120134 Ų13484%0.83976%0.758SS**  -171.9153.6129.114.10000113.9
566L25.3Very low27.5Very low147 Ų147133.3 Ų133.377%0.7775%0.753SS**  trans-85.8178.5169.4-100.977.5000111T568L566-T568 HydrophobicContact CD2-CG2 3.81Å; L566-T568 HydrophobicContact CG-CG2 4.39Å
567P34.3Very low27.6Very low117 Ų117134 Ų13476%0.7676%0.757SS**  cis-125.8169.122.222.53.4000114.7
568T24.1Very low27.7Very low104 Ų104136.3 Ų136.364%0.63876%0.76SS**  cis76.5108.835.8660000119.2L566L566-T568 HydrophobicContact CD2-CG2 3.81Å; L566-T568 HydrophobicContact CG-CG2 4.39Å
569L25.5Very low27.6Very low161 Ų161135.5 Ų135.584%0.84376%0.761SS**  trans-162.7110.3134.6-138.766.4000107.1
570S29.5Very low27.5Very low92 Ų92135.8 Ų135.864%0.64376%0.763SS**  66.5146.485.2-42.50000113.6
571T28.1Very low27.5Very low113 Ų113136.1 Ų136.169%0.69377%0.77SS**  cis-151.6138.320.5-40.40000106.3
572D25.8Very low27.5Very low122 Ų122130.4 Ų130.465%0.65277%0.766SS**  53.7149.770-54.8-62.6000113.8
573L29.3Very low27.4Very low147 Ų147127.2 Ų127.277%0.7776%0.763SS**  cis-139.3135.930-63152.1000109.4
574L26.8Very low27.3Very low117 Ų117129.4 Ų129.461%0.61377%0.768SS**  71.112971.5-62.4176.4000114
575F29.1Very low27.5Very low198 Ų198131.3 Ų131.387%0.86877%0.765SS**  cis63.2166.234.3-69.3-71.4000113.7
576P37.7Very low27.7Very low112 Ų112133.4 Ų133.473%0.72776%0.762SS**  cis-132.4-171.52.439.4-19.9000115.8
577V29.2Very low28.1Very low131 Ų131135.6 Ų135.679%0.79477%0.765SS**  trans-86.3173.5162.8167.90000110
578E27.4Very low27.9Very low168 Ų168137.6 Ų137.679%0.78577%0.768SS**  trans88.6122.7152.7-132.5167.5-137.100119.7
579T23.5Very low28.3Very low147 Ų147138.3 Ų138.390%0.90278%0.775SS**  -161.2153.4124.91.10000112.5
580C23.7Very low28.7Very low106 Ų106136.7 Ų136.772%0.71677%0.774SS**  trans-84.3158.1-164.9-43.10000115.3
581S25.8Very low28.9Very low126 Ų126138.8 Ų138.888%0.88178%0.783SS**  148.5147.3121.9-66.30000114.6
582G26.3Very low29.4Very low75 Ų75138.9 Ų138.977%0.77379%0.785SS**  trans117.964.4144.700000121.5
583A27.2Very low29.5Very low93 Ų93137.7 Ų137.777%0.76978%0.779SS**  trans42160135.400000125.1
584L28.1Very low29.6Very low160 Ų160135 Ų13584%0.83877%0.772SS**  trans90.6116.4159-51.4179.9000120
585Y27.8Very low30.3Very low202 Ų202134.7 Ų134.779%0.79278%0.777SS**  trans53155.1139.8-98-131.6000120.6
586E27.9Very low30.4Very low164 Ų164129.2 Ų129.277%0.76678%0.777SS**  cis-143.2-175.6-1.4-166.6156.9-167.900110.7
587K32.8Very low30.2Very low192 Ų192132.1 Ų132.184%0.83579%0.786SS**  trans-83.5157.3-172.4-69.6179.3177.7176.60116.1
588L29.9Very low30.4Very low160 Ų160128.7 Ų128.784%0.83878%0.778SS**  trans-17.1139.5147.1-60.4161.2000116.8
589P33.1Very low30.6Very low118 Ų118128.3 Ų128.377%0.76678%0.781SS**PPolyproline II helixtrans-74155.5168.132.9-35.1000112.5
590P34.3Very low31.2Very low127 Ų127127.8 Ų127.883%0.82578%0.782SS**PPolyproline II helixtrans-90.3159.7-17235.8-36.8000115.1
591T32.8Very low31.7Very low136 Ų136128.2 Ų128.283%0.83478%0.781SS**PPolyproline II helixtrans-79.9141.3163.5470000111.4
592P40.1Very low32.2Very low115 Ų115129 Ų12975%0.74778%0.78SS**PPolyproline II helixtrans-90.7148.117935.7-33.8000113
593D27.1Very low32.5Very low98 Ų98133 Ų13352%0.52478%0.781SS.*  trans-165.5105.5153.5-101.9-28.7000112.9V501 G502V501-D593 VanDerWaalsContact O-OD1 3.05Å; G502-D593 VanDerWaalsContact CA-CG 3.44Å; G502-D593 WeakPolarHBondContact CA-OD1 3.29Å; G502-D593 WeakPolarHBondContact CA-OD2 3.34Å
594S31.7Very low33Very low89 Ų89134.2 Ų134.262%0.62278%0.779SS**  trans59.2164158.8-79.10000121G503G503-S594 WeakPolarHBondContact O-CB 3.21Å
595P42Very low33.3Very low111 Ų111134.5 Ų134.572%0.72178%0.781SS**  cis-136.3151.8-32.636.1-19.7000115.7
596G30.4Very low33.6Very low83 Ų83130.1 Ų130.186%0.85678%0.777SS**  trans76.7163.6167.200000116.1
597D32.4Very low34.4Very low173 Ų173130.3 Ų130.393%0.92578%0.778SS**  cis-155.6157.7-15.7-178.829.3000108.4
598G33.9Very low34.6Very low60 Ų60127.8 Ų127.862%0.61978%0.778SS**  trans101.6140.4167.100000118.9
599D31.9Very low34.9Very low160 Ų160130.8 Ų130.886%0.85678%0.778SS**  trans52.690.5156.6-64.8-9.1000121T601D599-T601 PolarHBondContact O-N 3.15Å
600C35.3Very low35.3Very low136 Ų136127.9 Ų127.992%0.91977%0.77SS**  trans-65.2116.3159.7-66.10000111.9
601T36.1Very low35.6Very low114 Ų114127.2 Ų127.270%0.69977%0.765SS**  trans-114.4116.6160.942.10000110.6D599 M603D599-T601 PolarHBondContact O-N 3.15Å; T601-M603 PolarHBondContact O-N 2.78Å
602V36.3Very low35.5Very low142 Ų142129.1 Ų129.186%0.86177%0.769SS**  trans-72.8108.9178.3177.40000108.9
603M30.7Very low35.4Very low160 Ų160133.2 Ų133.279%0.78877%0.771SS**  trans-107123.3172.4-74.6-65.3162.500111.3T601T601-M603 PolarHBondContact O-N 2.78Å
604T38.7Very low35.9Very low119 Ų119134.4 Ų134.473%0.7378%0.782SS**PPolyproline II helixtrans-56.2141.817945.90000113.2
605L33.4Very low35.8Very low166 Ų166137.5 Ų137.587%0.86979%0.791SS**PPolyproline II helixtrans-51.2131.3161.2-96.3150.5000110.6E607L605-E607 PolarHBondContact O-N 2.87Å
606P35.7Very low35.7Very low110 Ų110137.6 Ų137.671%0.71479%0.79SS**PPolyproline II helixtrans-69.7126.5176.4-19.732.5000112.4V608P606-V608 PolarHBondContact O-N 3.39Å
607E44.4Very low36Very low167 Ų167139.8 Ų139.878%0.7879%0.789SS**  trans-6798160.5-75.6-163.9142.300109.6L605 R609L605-E607 PolarHBondContact O-N 2.87Å; E607-R609 VanDerWaalsContact C-N 3.3Å; E607-R609 PolarHBondContact O-N 2.85Å
608V37Very low36Very low139 Ų139140.2 Ų140.284%0.84279%0.79SS**  trans-7884.8169.1-175.50000109.3P606 G610P606-V608 PolarHBondContact O-N 3.39Å; V608-G610 PolarHBondContact O-N 3Å
609R36.3Very low36Very low224 Ų224140.7 Ų140.785%0.84580%0.795SS**  trans-66.6115.8166.1-72.9-178.7172.2-158.9-3.4110.1E607E607-R609 VanDerWaalsContact C-N 3.3Å; E607-R609 PolarHBondContact O-N 2.85Å
610G41Very low36.6Very low57 Ų57138.7 Ų138.759%0.58879%0.79SS**  trans-179.5126.816700000112.4V608 L612V608-G610 PolarHBondContact O-N 3Å; G610-L612 PolarHBondContact O-N 3.24Å
611P39.9Very low36.3Very low113 Ų113138.9 Ų138.973%0.73478%0.782SS**  trans-74.6115.4170.430.1-31.2000109.4Y613P611-Y613 HydrophobicContact CG-CE2 4.43Å; P611-Y613 PolarHBondContact O-N 2.94Å; P611-Y613 VanDerWaalsContact O-N 3.1Å
612L32.3Very low36.1Very low175 Ų175142.1 Ų142.192%0.91679%0.789SS**  trans-70.1103.5167.9-79168.1000109G610G610-L612 PolarHBondContact O-N 3.24Å
613Y37.5Very low35.8Very low202 Ų202141.4 Ų141.479%0.79279%0.789SS**  trans-70.1138.8168.7-93.6-105.5000110.3P611P611-Y613 HydrophobicContact CG-CE2 4.43Å; P611-Y613 PolarHBondContact O-N 2.94Å; P611-Y613 VanDerWaalsContact O-N 3.1Å
614V36.8Very low37.1Very low122 Ų122139 Ų13974%0.73979%0.786SS**  trans-122.8120.4163179.20000106.2V616V614-V616 PolarHBondContact O-N 3.29Å
615D30.7Very low37.4Very low154 Ų154138.5 Ų138.582%0.82478%0.784SS**  trans-68.3124.2178.9-88.4-47.2000110.9
616V39.8Very low37.2Very low114 Ų114139.7 Ų139.769%0.69179%0.785SS**  trans-114.2121.2171.9-179.80000107.8V614 L618V614-V616 PolarHBondContact O-N 3.29Å; V616-L618 PolarHBondContact O-N 3.39Å
617P35.9Very low37Very low129 Ų129138.3 Ų138.384%0.83879%0.79SS**  trans-56.5126.6-179.9-2836.1000113.1
618L32.2Very low36.5Very low182 Ų182138.1 Ų138.195%0.95379%0.794SS**  trans-82.1137.2-173.9-74.5165.6000113.3V616V616-L618 PolarHBondContact O-N 3.39Å
619G34.2Very low36.2Very low69 Ų69138.6 Ų138.671%0.71179%0.791SS**  trans-173.7141.3167.800000111.6
620P43.6Very low35.9Very low118 Ų118134.6 Ų134.677%0.76679%0.792SS**  -110.9157.8-108.739.1-35.6000113.3
621L30.6Very low36.1Very low141 Ų141137 Ų13774%0.73880%0.797SS**  -167.3148.861.6-84.7166.2000114
622Q31.4Very low35.9Very low181 Ų181140.4 Ų140.485%0.84680%0.803SS**  trans73.1152.1145.9-69.6175.3-0.400121.6
623C29.9Very low35.9Very low128 Ų128137 Ų13787%0.86580%0.8SS**  trans-111.4173.5-155.2-87.60000114.3
624P57.5Low35.7Very low110 Ų110133.2 Ų133.271%0.71480%0.803SS**  trans-94.2-166.9-165.540.1-37.9000114.3
625P44.3Very low36.4Very low107 Ų107133.6 Ų133.670%0.69581%0.808SS**  -136.2140.2100.338.7-27.1000114.1
626E30.3Very low36.3Very low192 Ų192130 Ų13090%0.89781%0.807SS**  67.1131.2100.9-54.4-177.9142.300116.8
627G32.1Very low36.4Very low80 Ų80134.7 Ų134.783%0.82582%0.818SS**  trans171.298.9174.500000116.6
628L32.5Very low36.2Very low164 Ų164137.7 Ų137.786%0.85982%0.822SS**  trans-55.1142.6-177.2-70.8152.9000118.1
629L30.9Very low37Very low149 Ų149134.7 Ų134.778%0.7881%0.813SS**  trans21.6120.5135.5-57171.8000120.4
630T31.3Very low36.8Very low139 Ų139136 Ų13685%0.85381%0.81SS**  -178.5157.8113.930.60000112.7
631P44.2Very low36.4Very low109 Ų109138 Ų13871%0.70881%0.814SS**  trans-88.3-178.9168.937.6-35.3000112.9
632E36Very low36.9Very low184 Ų184136.8 Ų136.886%0.8681%0.812SS**  trans68.476.9174.3-65.6-57.8103.500118.1
633A31.7Very low37.2Very low103 Ų103135.5 Ų135.585%0.85180%0.804SS**  trans-155.9127.7145.800000114
634S34.5Very low37.6Very low122 Ų122136.2 Ų136.285%0.85379%0.793SS**  trans-139.8151.8151.9-83.80000106.7
635P51Low36.7Very low131 Ų131133.8 Ų133.885%0.85178%0.778SS**  cis-133.5172.32241.8-26.4000115.4
636G27.8Very low36.8Very low78 Ų78134.9 Ų134.980%0.80478%0.777SS**  trans-174.3139.8166.700000113.9
637K42Very low37.5Very low212 Ų212131.5 Ų131.592%0.92276%0.762SS**  trans-96.8120.3171.6-65.8177.1-177.7175.40110
638Q32.6Very low38.3Very low193 Ų193135.7 Ų135.790%0.90275%0.752SS**  trans-158.8161.1139.9-110.3-177-2200110
639P47.7Very low39.6Very low119 Ų119133.7 Ų133.777%0.77374%0.739SS**  trans-94.7-176.4-16739.2-37.5000113.5
640C31.7Very low40.9Very low96 Ų96132.3 Ų132.365%0.64973%0.727SS**  trans92.894.5166.7-157.70000117T642C640-T642 PolarHBondContact SG-OG1 3.14Å; C640-T642 VanDerWaalsContact SG-OG1 3.34Å
641L34.4Very low42.2Very low161 Ų161131.1 Ų131.184%0.84371%0.711SS**  -134.497.6129.1-80.8-174.8000108.2F643L641-F643 PolarHBondContact O-N 3.2Å
642T40.4Very low42.9Very low114 Ų114134.7 Ų134.770%0.69971%0.71SS**  trans-78.435.1-171-35.80000113.6C640C640-T642 PolarHBondContact SG-OG1 3.14Å; C640-T642 VanDerWaalsContact SG-OG1 3.34Å
643F38.7Very low44.6Very low155 Ų155128.3 Ų128.368%0.6869%0.689SS**SBendtrans-93.3-59.5-177.7-153.5-100.5000110.8L641 S645 L646L641-F643 PolarHBondContact O-N 3.2Å; F643-S645 PolarHBondContact O-N 2.93Å; F643-S645 VanDerWaalsContact O-N 3.12Å; F643-L646 PolarHBondContact O-N 3.31Å
644F37.1Very low46.3Very low143 Ų143128.4 Ų128.463%0.62767%0.672SS**Hα-helixtrans-73.50.9-177.2-63.3-71000116
645S40.3Very low48.1Very low58 Ų58127.3 Ų127.341%0.40666%0.656SS.*Hα-helixtrans-82.8-48.5173-162.20000111.1F643 E647 R648 E649F643-S645 PolarHBondContact O-N 2.93Å; F643-S645 VanDerWaalsContact O-N 3.12Å; S645-E647 VanDerWaalsContact C-N 3.29Å; S645-E647 PolarHBondContact O-N 3.19Å; S645-R648 PolarHBondContact O-N 2.96Å; S645-E649 WeakPolarHBondContact O-CB 3.2Å; S645-E649 WeakPolarHBondContact O-CG 3.48Å; S645-E649 PolarHBondContact O-N 2.84Å; S645-E649 PolarHBondContact OG-OE2 2.83Å
646L44.8Very low49Very low131 Ų131124.1 Ų124.169%0.68664%0.636SS**Hα-helixtrans-62-39.4-174.1-172.667.6000111.7F643 E649 K650F643-L646 PolarHBondContact O-N 3.31Å; L646-E649 PolarHBondContact O-N 3.05Å; L646-K650 VanDerWaalsContact O-CB 3.26Å; L646-K650 WeakPolarHBondContact O-CB 3.14Å; L646-K650 PolarHBondContact O-N 3.35Å
647E45.8Very low51.5Low121 Ų121125.6 Ų125.657%0.56563%0.625SS**Hα-helixtrans-67.4-40.4178.9-161.7158.6-122.400112.1S645 K650 E651S645-E647 VanDerWaalsContact C-N 3.29Å; S645-E647 PolarHBondContact O-N 3.19Å; E647-K650 PolarHBondContact O-N 2.66Å; E647-E651 WeakPolarHBondContact O-CB 3.4Å; E647-E651 PolarHBondContact O-N 3.32Å
648R49Very low52.4Low167 Ų167120.4 Ų120.463%0.6361%0.607SS**Hα-helixtrans-72-34.5175-173-179.3-64152.74.8112.9S645 R652S645-R648 PolarHBondContact O-N 2.96Å; R648-R652 WeakPolarHBondContact O-CB 3.18Å; R648-R652 PolarHBondContact O-N 2.89Å
649E58.8Low53.9Low122 Ų122113.7 Ų113.757%0.5758%0.584SS**Hα-helixtrans-72-35.3175.4-73.1175.7113.500111.2S645 L646 A653S645-E649 WeakPolarHBondContact O-CB 3.2Å; S645-E649 WeakPolarHBondContact O-CG 3.48Å; S645-E649 PolarHBondContact O-N 2.84Å; S645-E649 PolarHBondContact OG-OE2 2.83Å; L646-E649 PolarHBondContact O-N 3.05Å; E649-A653 WeakPolarHBondContact O-CB 3.45Å; E649-A653 PolarHBondContact O-N 3.43Å
650K59.6Low54.8Low121 Ų121114.4 Ų114.453%0.52658%0.577SS.*Hα-helixtrans-63.4-53.8168.7179.2-173.8166.2-170.50111.6L646 E647 R652 A653 E654L646-K650 VanDerWaalsContact O-CB 3.26Å; L646-K650 WeakPolarHBondContact O-CB 3.14Å; L646-K650 PolarHBondContact O-N 3.35Å; E647-K650 PolarHBondContact O-N 2.66Å; K650-R652 VanDerWaalsContact C-N 3.27Å; K650-R652 PolarHBondContact O-N 2.88Å; K650-A653 CarbonylContact O-C 3.58Å; K650-A653 WeakPolarHBondContact O-CA 3.27Å; K650-A653 WeakPolarHBondContact O-CB 3.26Å; K650-A653 PolarHBondContact O-N 2.94Å; K650-E654 WeakPolarHBondContact CE-OE1 3.43Å; K650-E654 HydrophobicContact CG-CG 4.49Å; K650-E654 IonicContact NZ-OE1 3.75Å; K650-E654 WeakPolarHBondContact O-CG 3.47Å; K650-E654 PolarHBondContact O-N 2.7Å
651E58.5Low56.2Low113 Ų113115.4 Ų115.453%0.52857%0.572SS.*Hα-helixtrans-52.9-45.7175.9178.9-170.9-156.600111.1E647 A653 E654 I655E647-E651 WeakPolarHBondContact O-CB 3.4Å; E647-E651 PolarHBondContact O-N 3.32Å; E651-A653 VanDerWaalsContact C-N 3.34Å; E651-A653 PolarHBondContact O-N 2.87Å; E651-E654 PolarHBondContact O-N 2.99Å; E651-I655 HydrophobicContact CG-CD1 3.94Å; E651-I655 WeakPolarHBondContact O-CB 3.48Å; E651-I655 VanDerWaalsContact O-CG1 3.28Å; E651-I655 WeakPolarHBondContact O-CG1 3.25Å; E651-I655 PolarHBondContact O-N 3.25Å
652R58.4Low57.7Low184 Ų184112.4 Ų112.469%0.69456%0.556SS**Hα-helixtrans-66.3-32.8177.1-172.2171.2-177.5-90.5-6113R648 K650 S656R648-R652 WeakPolarHBondContact O-CB 3.18Å; R648-R652 PolarHBondContact O-N 2.89Å; K650-R652 VanDerWaalsContact C-N 3.27Å; K650-R652 PolarHBondContact O-N 2.88Å; R652-S656 WeakPolarHBondContact O-CB 3.45Å; R652-S656 PolarHBondContact O-N 2.82Å; R652-S656 VanDerWaalsContact O-N 3.08Å; R652-S656 PolarHBondContact O-OG 3.37Å
653A71.3Confident59Low50 Ų50110.2 Ų110.241%0.41355%0.545SS..Hα-helixtrans-72-39.9173.700000112E649 K650 E651 S656 L657E649-A653 WeakPolarHBondContact O-CB 3.45Å; E649-A653 PolarHBondContact O-N 3.43Å; K650-A653 CarbonylContact O-C 3.58Å; K650-A653 WeakPolarHBondContact O-CA 3.27Å; K650-A653 WeakPolarHBondContact O-CB 3.26Å; K650-A653 PolarHBondContact O-N 2.94Å; E651-A653 VanDerWaalsContact C-N 3.34Å; E651-A653 PolarHBondContact O-N 2.87Å; A653-S656 WeakPolarHBondContact O-CB 3.27Å; A653-S656 PolarHBondContact O-N 3.44Å; A653-L657 PolarHBondContact O-N 2.9Å
654E68.4Low60.4Low105 Ų105106.3 Ų106.349%0.49154%0.538SS..Hα-helixtrans-65.9-43.4176.1-72.1172.1169.100111.4K650 E651 S656 L657 L658K650-E654 WeakPolarHBondContact CE-OE1 3.43Å; K650-E654 HydrophobicContact CG-CG 4.49Å; K650-E654 IonicContact NZ-OE1 3.75Å; K650-E654 WeakPolarHBondContact O-CG 3.47Å; K650-E654 PolarHBondContact O-N 2.7Å; E651-E654 PolarHBondContact O-N 2.99Å; E654-S656 VanDerWaalsContact C-N 3.29Å; E654-S656 PolarHBondContact O-N 3.42Å; E654-L657 PolarHBondContact O-N 3.22Å; E654-L658 WeakPolarHBondContact O-CB 3.42Å; E654-L658 PolarHBondContact O-N 2.83Å
655I70.9Confident61.3Low100 Ų100103.8 Ų103.851%0.51353%0.53SS..Hα-helixtrans-61.3-37.3170.9-68166.5000111.3E651 A659E651-I655 HydrophobicContact CG-CD1 3.94Å; E651-I655 WeakPolarHBondContact O-CB 3.48Å; E651-I655 VanDerWaalsContact O-CG1 3.28Å; E651-I655 WeakPolarHBondContact O-CG1 3.25Å; E651-I655 PolarHBondContact O-N 3.25Å; I655-A659 WeakPolarHBondContact O-CB 3.49Å; I655-A659 PolarHBondContact O-N 2.95Å
656S71.6Confident61.6Low63 Ų63103.7 Ų103.744%0.44153%0.533SS..Hα-helixtrans-70.2-40.1177.9-59.10000112.3R652 A653 E654 A659 Q660R652-S656 WeakPolarHBondContact O-CB 3.45Å; R652-S656 PolarHBondContact O-N 2.82Å; R652-S656 VanDerWaalsContact O-N 3.08Å; R652-S656 PolarHBondContact O-OG 3.37Å; A653-S656 WeakPolarHBondContact O-CB 3.27Å; A653-S656 PolarHBondContact O-N 3.44Å; E654-S656 VanDerWaalsContact C-N 3.29Å; E654-S656 PolarHBondContact O-N 3.42Å; S656-A659 PolarHBondContact O-N 3.25Å; S656-Q660 WeakPolarHBondContact O-CB 3.5Å; S656-Q660 PolarHBondContact O-N 3.28Å
657L78.8Confident61.6Low110 Ų110104 Ų10458%0.57653%0.531SS*.Hα-helixtrans-65.6-41.5173.6-79.7167.2000111.7A653 E654 Q660 H661A653-L657 PolarHBondContact O-N 2.9Å; E654-L657 PolarHBondContact O-N 3.22Å; L657-Q660 PolarHBondContact O-N 2.82Å; L657-H661 WeakPolarHBondContact O-CB 3.17Å; L657-H661 PolarHBondContact O-N 3.41Å
658L61.9Low61.5Low103 Ų103101.1 Ų101.154%0.53953%0.533SS..Hα-helixtrans-62.2-46.1174.9-179.760.8000111.2E654 Q660 H661 I662E654-L658 WeakPolarHBondContact O-CB 3.42Å; E654-L658 PolarHBondContact O-N 2.83Å; L658-Q660 VanDerWaalsContact C-N 3.34Å; L658-Q660 PolarHBondContact O-N 3.11Å; L658-H661 PolarHBondContact O-N 3.38Å; L658-I662 HydrophobicContact CD1-CD1 4.06Å; L658-I662 HydrophobicContact CD1-CG1 4.42Å; L658-I662 HydrophobicContact CG-CD1 3.97Å; L658-I662 VanDerWaalsContact O-CG1 3.28Å; L658-I662 WeakPolarHBondContact O-CG1 3.45Å; L658-I662 PolarHBondContact O-N 3.27Å
659A64.6Low61.3Low51 Ų51101.6 Ų101.642%0.42154%0.54SS..Hα-helixtrans-60.6-42.7174.600000111.9I655 S656 I662 S663I655-A659 WeakPolarHBondContact O-CB 3.49Å; I655-A659 PolarHBondContact O-N 2.95Å; S656-A659 PolarHBondContact O-N 3.25Å; A659-I662 PolarHBondContact O-N 2.78Å; A659-S663 PolarHBondContact O-N 2.87Å; A659-S663 PolarHBondContact O-OG 3.02Å; A659-S663 VanDerWaalsContact O-OG 3.09Å
660Q66.6Low60.4Low134 Ų134105.8 Ų105.863%0.62655%0.552SS**Hα-helixtrans-66.3-36.6177.3-171.71745.200112.5S656 L657 L658 S663 S664S656-Q660 WeakPolarHBondContact O-CB 3.5Å; S656-Q660 PolarHBondContact O-N 3.28Å; L657-Q660 PolarHBondContact O-N 2.82Å; L658-Q660 VanDerWaalsContact C-N 3.34Å; L658-Q660 PolarHBondContact O-N 3.11Å; Q660-S663 PolarHBondContact O-N 3.14Å; Q660-S664 WeakPolarHBondContact O-CB 3.29Å; Q660-S664 PolarHBondContact O-N 2.82Å
661H60.3Low59.5Low118 Ų118107.3 Ų107.355%0.54657%0.565SS.*Hα-helixtrans-68.4-42175.5-169.271.5000111.7L657 L658 S664 L665L657-H661 WeakPolarHBondContact O-CB 3.17Å; L657-H661 PolarHBondContact O-N 3.41Å; L658-H661 PolarHBondContact O-N 3.38Å; H661-S664 PolarHBondContact O-N 2.79Å; H661-L665 WeakPolarHBondContact O-CG 3.43Å; H661-L665 PolarHBondContact O-N 3.24Å
662I65.1Low58.3Low97 Ų97109.5 Ų109.550%0.49758%0.581SS.*Hα-helixtrans-62.2-42.3173.3-68.1165.2000110.9L658 A659 L665 A666L658-I662 HydrophobicContact CD1-CD1 4.06Å; L658-I662 HydrophobicContact CD1-CG1 4.42Å; L658-I662 HydrophobicContact CG-CD1 3.97Å; L658-I662 VanDerWaalsContact O-CG1 3.28Å; L658-I662 WeakPolarHBondContact O-CG1 3.45Å; L658-I662 PolarHBondContact O-N 3.27Å; A659-I662 PolarHBondContact O-N 2.78Å; I662-L665 PolarHBondContact O-N 2.89Å; I662-A666 WeakPolarHBondContact O-CB 3.2Å; I662-A666 PolarHBondContact O-N 3.45Å
663S68.3Low57.6Low68 Ų68106.1 Ų106.148%0.47658%0.582SS.*Hα-helixtrans-62.6-44173.9-63.50000112.4A659 Q660 L665 A666 E667A659-S663 PolarHBondContact O-N 2.87Å; A659-S663 PolarHBondContact O-OG 3.02Å; A659-S663 VanDerWaalsContact O-OG 3.09Å; Q660-S663 PolarHBondContact O-N 3.14Å; S663-L665 VanDerWaalsContact C-N 3.31Å; S663-L665 PolarHBondContact O-N 3.17Å; S663-A666 PolarHBondContact O-N 3.26Å; S663-E667 WeakPolarHBondContact O-CG 3.35Å; S663-E667 PolarHBondContact O-N 3.49Å
664S68.4Low56Low74 Ų74111.5 Ų111.552%0.51760%0.603SS.*Hα-helixtrans-66.6-31.1177.9-179.10000112.9Q660 H661 G668Q660-S664 WeakPolarHBondContact O-CB 3.29Å; Q660-S664 PolarHBondContact O-N 2.82Å; H661-S664 PolarHBondContact O-N 2.79Å; S664-G668 PolarHBondContact O-N 3.34Å
665L54.9Low54.3Low90 Ų90114.9 Ų114.947%0.47162%0.624SS.*Hα-helixtrans-68.7-44.3170.1-76.2165.8000110.9H661 I662 S663 E667 G668 F669H661-L665 WeakPolarHBondContact O-CG 3.43Å; H661-L665 PolarHBondContact O-N 3.24Å; I662-L665 PolarHBondContact O-N 2.89Å; S663-L665 VanDerWaalsContact C-N 3.31Å; S663-L665 PolarHBondContact O-N 3.17Å; L665-E667 PolarHBondContact O-N 2.89Å; L665-G668 WeakPolarHBondContact O-CA 3.46Å; L665-G668 PolarHBondContact O-N 3.42Å; L665-F669 WeakPolarHBondContact O-CD2 3.4Å
666A47.1Very low52.4Low55 Ų55115.8 Ų115.846%0.45564%0.639SS.*Hα-helixtrans-62.8-38.4178.100000113I662 S663 G668 F669I662-A666 WeakPolarHBondContact O-CB 3.2Å; I662-A666 PolarHBondContact O-N 3.45Å; S663-A666 PolarHBondContact O-N 3.26Å; A666-G668 PolarHBondContact O-N 3.48Å; A666-F669 PolarHBondContact O-N 2.94Å
667E44.9Very low50.6Low139 Ų139122.3 Ų122.365%0.6566%0.659SS**Hα-helixtrans-62-32.5172.1-73.4177.1162.900112.1S663 L665 F669 Y670S663-E667 WeakPolarHBondContact O-CG 3.35Å; S663-E667 PolarHBondContact O-N 3.49Å; L665-E667 PolarHBondContact O-N 2.89Å; E667-F669 VanDerWaalsContact C-N 3.27Å; E667-F669 PolarHBondContact O-N 2.79Å; E667-Y670 PolarHBondContact O-N 2.7Å
668G44.3Very low48.3Very low60 Ų60125.1 Ų125.162%0.61967%0.674SS**Hα-helixtrans-65.9-21.9175.800000115S664 L665 A666S664-G668 PolarHBondContact O-N 3.34Å; L665-G668 WeakPolarHBondContact O-CA 3.46Å; L665-G668 PolarHBondContact O-N 3.42Å; A666-G668 PolarHBondContact O-N 3.48Å
669F44.2Very low46.7Very low177 Ų177125.6 Ų125.678%0.77669%0.686SS**THydrogen-bonded Turntrans-92.3-0177.5-68-74.2000114L665 A666 E667L665-F669 WeakPolarHBondContact O-CD2 3.4Å; A666-F669 PolarHBondContact O-N 2.94Å; E667-F669 VanDerWaalsContact C-N 3.27Å; E667-F669 PolarHBondContact O-N 2.79Å
670Y41Very low45.5Very low210 Ų210128.7 Ų128.782%0.82470%0.702SS**SBendtrans-114.416.3-171.6-111-84.8000115.3E667E667-Y670 PolarHBondContact O-N 2.7Å
671L38.9Very low43.7Very low153 Ų153127.1 Ų127.180%0.80171%0.706SS**  trans-114.782.3178.4-66.8179.7000112.1
672D35.2Very low42.2Very low159 Ų159126.2 Ų126.285%0.8571%0.713SS**  trans-70.8123.3168.3-171.231.3000110.3L674D672-L674 PolarHBondContact O-N 2.9Å
673P41.9Very low40.4Very low112 Ų112126.7 Ų126.773%0.72773%0.725SS**SBendtrans-91.684.3-163.735.2-36.6000113.7
674L38.9Very low39.2Very low163 Ų163129.3 Ų129.385%0.85374%0.74SS**  trans-167.394.3146.7-100.5-170.1000112.9D672D672-L674 PolarHBondContact O-N 2.9Å
675L33.4Very low38.2Very low177 Ų177130.7 Ų130.793%0.92775%0.747SS**  trans169.8111134.5-95.8166.2000111.9
676S30.6Very low36.9Very low119 Ų119131.6 Ų131.683%0.83276%0.761SS**  trans-148.588.7166.956.60000113
677K33.4Very low37Very low199 Ų199133.7 Ų133.787%0.86577%0.77SS**  trans-161.1142.5156.6-118.7161.3-171.2171.40113.2
678L30.8Very low36.1Very low170 Ų170135.6 Ų135.689%0.8978%0.777SS**  trans74.197170.5-51-178.2000117.5
679S28.7Very low35.4Very low113 Ų113140.4 Ų140.479%0.7979%0.787SS**  trans-82.9164.4150.857.50000109.8
680P38.7Very low34.5Very low115 Ų115137.3 Ų137.375%0.74779%0.787SS**  -152.7158.177.640.7-20.8000118.9
681S28.2Very low35Very low101 Ų101133 Ų13371%0.70679%0.785SS**  trans38.1125.3146.265.40000125.1
682S30.3Very low34.4Very low99 Ų99129.8 Ų129.869%0.69278%0.781SS**  trans67.899.3131.965.20000123.5
683S26.6Very low34.1Very low108 Ų108128.8 Ų128.876%0.75577%0.774SS**  37.9152.7116.365.70000123.4
684P43.4Very low33.4Very low122 Ų122131.9 Ų131.979%0.79278%0.779SS**  cis-129.7-126.6-1330.3-3.5000113.8
685P47.7Very low32.8Very low103 Ų103128.3 Ų128.367%0.66977%0.773SS**  -131.1146.9-118.939.6-19.7000119.9
686S27.7Very low32.6Very low110 Ų110124.4 Ų124.477%0.76977%0.766SS**  trans62.1175.8151.7770000118.7
687P48.7Very low32.3Very low98 Ų98126.1 Ų126.164%0.63677%0.766SS**  cis-125.6-171-20.820.93.4000113.4
688F26.4Very low32.9Very low180 Ų180121.4 Ų121.479%0.78976%0.756SS**  trans119.3135.5147.1-75.7-69.8000121.6
689L29.3Very low32.6Very low161 Ų161118.8 Ų118.884%0.84375%0.747SS**  trans75.4127.2148.5-69.9165.6000122.6
690S25.3Very low32.5Very low111 Ų111121.7 Ų121.778%0.77675%0.747SS**  trans-93.1-169.1162.5-25.50000110.1
691P50.5Low31.9Very low120 Ų120123.2 Ų123.278%0.77975%0.746SS**  cis-135.1-153.9-9.837.8-16.2000112.7
692A25.9Very low31.9Very low86 Ų86124.3 Ų124.371%0.71174%0.744SS**  trans80153.7153.200000117.4
693I29.5Very low31.7Very low138 Ų138129.1 Ų129.171%0.70875%0.747SS**  cis-162.7155.4-13.2-115.7170.6000107.8
694E27.5Very low31.6Very low176 Ų176130.8 Ų130.882%0.82274%0.743SS**  trans29.9165.3153.6-61.6171.415400122.5
695A27.1Very low30.8Very low88 Ų88132.6 Ų132.673%0.72774%0.738SS**  cis-171.4167.9-3200000107.9
696A27.8Very low29.8Very low96 Ų96137 Ų13779%0.79374%0.743SS**  trans62118.1163.300000121
697D24.2Very low30.3Very low154 Ų154136.9 Ų136.982%0.82474%0.74SS**  11.6161.6116.5-90.1-32.8000121.7
698P46.7Very low29.3Very low100 Ų100136.9 Ų136.965%0.64974%0.738SS**  cis-145.5180-13.637.3-16.6000117.2
699V25.5Very low29.3Very low116 Ų116137.3 Ų137.370%0.70374%0.739SS**  trans74.9137139153.90000122.9
700H25.2Very low29.4Very low173 Ų173133.5 Ų133.580%0.80172%0.723SS**  trans62.9156.9161.7-76.8-28000119.6
701M25.8Very low29.6Very low147 Ų147137.5 Ų137.572%0.72472%0.721SS**  cis178.6158.3-37.1-118.7-83.5-99.400108.1
702L29.3Very low28.5Very low125 Ų125141.4 Ų141.465%0.65472%0.72SS**  trans69.3153.8167-108.469.7000116.1
703R25.3Very low28.5Very low199 Ų199140.2 Ų140.275%0.75172%0.716SS**  cis-160.51765.7-162.4178.4-152.9177.77.6111.7
704E25.2Very low28.4Very low144 Ų144140.7 Ų140.767%0.67372%0.719SS**  trans92137.8155.5-59.7-173.9-173.800117.9
705F25.7Very low28.2Very low160 Ų160138.7 Ų138.770%0.70271%0.714SS**  cis-151.2176.4-8.1-119.1-51000112.7
706Y27.2Very low28.6Very low195 Ų195141.9 Ų141.977%0.76572%0.717SS**  trans-61.4179-176-94.8-115.4000116.6V708Y706-V708 HydrophobicContact CD1-CG2 4.43Å
707P37.4Very low29.3Very low108 Ų108142.4 Ų142.470%0.70171%0.713SS**  cis-141.5156.910.734.9-13000120.3
708V27.9Very low29.8Very low98 Ų98141.8 Ų141.859%0.59471%0.708SS**  trans44.9117.1133.4-177.10000119.6Y706Y706-V708 HydrophobicContact CD1-CG2 4.43Å
709K27.9Very low28.8Very low188 Ų188145.7 Ų145.782%0.81772%0.715SS**  -151.412160.9-106.2123.9-178-176.30109.9
710T30.3Very low29Very low82 Ų82146.9 Ų146.950%0.50372%0.717SS.*  74.1130.467.564.60000114.5
711W30.7Very low29.1Very low195 Ų195144.8 Ų144.874%0.73971%0.711SS**  cis-143.5138.413.4-75.7112.9000110.1
712R27.5Very low29.4Very low202 Ų202144.9 Ų144.976%0.76272%0.715SS**  78.813485.6-158.1-147-56.4-1464.9113.7
713G25.3Very low29.5Very low60 Ų60145.9 Ų145.962%0.61972%0.721SS**  cis-171.1148.2-600000108.8
714L26.4Very low29.7Very low149 Ų149143.2 Ų143.278%0.7872%0.721SS**  75.2105.778.2-69.4174.5000115.4
715D24.3Very low30Very low133 Ų133140.6 Ų140.671%0.71172%0.719SS**  72.2124.9125.1-57.12.3000123.8
716I35.6Very low30.2Very low156 Ų156139.8 Ų139.880%0.872%0.721SS**  trans-3.5156.9132.133173.9000118.9
717P41.8Very low30.3Very low107 Ų107138.9 Ų138.970%0.69572%0.722SS**  cis-145.1177.222.442-21.9000119
718I35.1Very low30Very low140 Ų140142.6 Ų142.672%0.71873%0.73SS**  trans23.8123.1141.8-54.5162.7000119.9
719F26.1Very low30.2Very low183 Ų183146.4 Ų146.480%0.80374%0.741SS**  175.5136.5119.3-97.5-59.5000115.6
720L29Very low30.4Very low141 Ų141143 Ų14374%0.73873%0.732SS**  trans66145146.8-70.9156.6000124.4
721D28Very low30.4Very low129 Ų129146.8 Ų146.869%0.6975%0.747SS**  trans61102.1149.3-65.1-170.8000123.6
722D31.2Very low30.4Very low148 Ų148145.5 Ų145.579%0.79175%0.754SS**  73.1151.9114.1-86.1-27.7000125.4
723D32.6Very low30.5Very low147 Ų147143.6 Ų143.679%0.78675%0.753SS**  trans71.9114.7161.8-75.9-28.4000122.7
724D29.5Very low30.7Very low142 Ų142146.3 Ų146.376%0.75976%0.758SS**  trans89111.5133.9-113.8-30.2000123.4
725S29.8Very low30.8Very low89 Ų89147.2 Ų147.262%0.62276%0.763SS**  81.7110.3129.6-83.70000124
726L30.4Very low31Very low144 Ų144148.5 Ų148.575%0.75477%0.769SS**  99120.5127.5-65.1169.3000122.9
727F29.4Very low30.6Very low176 Ų176149.5 Ų149.577%0.77277%0.77SS**  trans76.2160.9149.3-81.8-68.5000122.5
728E32.2Very low29.8Very low186 Ų186151.2 Ų151.287%0.86977%0.774SS**  trans68.7106.2-169.7-58.6-177.3175.400113
729E31.7Very low29.4Very low178 Ų178150.4 Ų150.483%0.83277%0.771SS**  cis64.5122.622.1-160.9166.7-139.800115.6
730N32.1Very low29.4Very low116 Ų116151.8 Ų151.862%0.6278%0.777SS**  trans68.481.8174.2-159.515000119.6
731I30.7Very low29.4Very low162 Ų162148.5 Ų148.583%0.83177%0.77SS**  trans-13772.1151.8-47.5178.7000110.4
732L29.8Very low29.5Very low168 Ų168148.1 Ų148.188%0.8878%0.775SS**  trans-152.748.6160-160.962.7000112.8
733E29.4Very low29.2Very low161 Ų161147.6 Ų147.675%0.75277%0.772SS**  trans-13652.5177.9-163.8176.5-138.600110.1
734T29.2Very low29Very low117 Ų117147.8 Ų147.872%0.71877%0.772SS**  trans-153.825.2-169.2-250000115.8
735L28.3Very low28.8Very low169 Ų169146.5 Ų146.589%0.88577%0.774SS**SBendtrans-135.217.5175.2-78.4179.7000115
736L30.1Very low28.5Very low159 Ų159149.4 Ų149.483%0.83278%0.783SS**SBendtrans-135.1143165.5-72.1175.7000109.2
737Q26.3Very low28.9Very low177 Ų177147.7 Ų147.783%0.82778%0.78SS**  trans66131.5-170.4-67.2152.9-2100113.6
738D25.5Very low28.7Very low143 Ų143144.7 Ų144.777%0.76578%0.781SS**  cis-154.9160.4-1.9-109-26.3000109.6
739D27Very low28.3Very low123 Ų123141 Ų14166%0.65878%0.776SS**  -160.5125.3128.4-144.5-27.5000113.7A741D739-A741 PolarHBondContact OD1-N 3.06Å
740F25Very low28.8Very low212 Ų212137.8 Ų137.893%0.9377%0.771SS**  trans-154.262.3144.9-101.1-60.5000109.3
741A28.6Very low28.4Very low72 Ų72138.5 Ų138.560%0.59578%0.779SS**  trans-60.9160.5168.100000112.3D739D739-A741 PolarHBondContact OD1-N 3.06Å
742P30.6Very low28.1Very low122 Ų122135.5 Ų135.579%0.79277%0.772SS**  -139.2119.3120.734.2-21.6000115.2
743N25.3Very low28.7Very low137 Ų137132.4 Ų132.473%0.73376%0.763SS**  trans46117146.7-76.6-17.7000122.6
744L27.6Very low28.6Very low151 Ų151133.6 Ų133.679%0.79177%0.768SS**  61.9133.2125.1-53.9169.6000118.6
745S24.9Very low28.3Very low114 Ų114134.1 Ų134.180%0.79777%0.771SS**  cis-155.9154.134.4-47.60000114.5
746D23.6Very low28.8Very low151 Ų151131.3 Ų131.381%0.80776%0.763SS**  trans-63.4178.1167.7-101.3-58.6000114.8
747P39.7Very low28.6Very low107 Ų107130.2 Ų130.270%0.69576%0.762SS**  cis-147.4168.42643.3-23000121.5
748S25.2Very low28.4Very low113 Ų113126.1 Ų126.179%0.7975%0.752SS**  trans92155137.770.80000122.7
749S24.7Very low28.3Very low109 Ų109128.8 Ų128.876%0.76275%0.752SS**  trans-127.2-158-162.960.50000110.3
750P41.8Very low28.1Very low111 Ų111130.8 Ų130.872%0.72176%0.757SS**  cis-142.2-170.9-2.135.3-11.7000116.9
751T23.6Very low28.1Very low130 Ų130128.9 Ų128.980%0.79875%0.751SS**  trans127.8148.4138.8-42.90000117.4
752S23.2Very low28.4Very low99 Ų99130.4 Ų130.469%0.69276%0.755SS**  trans-96.4-161.7-175.962.80000111.6
753P43.8Very low28.2Very low104 Ų104129.5 Ų129.568%0.67575%0.751SS**  cis-150.8167.51943.1-20.5000122.4
754H26Very low28.2Very low186 Ų186131 Ų13186%0.86175%0.754SS**  trans62.2151.5141.6-68.8-50.9000126.6
755T24.2Very low27.9Very low127 Ų127131.8 Ų131.878%0.77975%0.751SS**  trans-97.7171.7-177.554.60000112.8
756P38.9Very low27.9Very low110 Ų110135 Ų13571%0.71475%0.754SS**  -162.2156.292.941.9-21.4000120.2
757V24.2Very low27.9Very low136 Ų136131.7 Ų131.782%0.82476%0.755SS**  trans57.1153.5133.7171.50000121.9
758C23.3Very low27.1Very low92 Ų92132 Ų13262%0.62277%0.767SS**  cis-178.4175.5-33.8-1630000109.6
759W22.6Very low27.2Very low199 Ų199129.7 Ų129.775%0.75476%0.76SS**  trans73151.7168.5-46.5115.5000118
760H24Very low27.4Very low164 Ų164132.8 Ų132.876%0.75976%0.763SS**  cis-158.1167.4-10.1-126.2-37.8000111.8
761Q25.1Very low26.7Very low173 Ų173134.5 Ų134.581%0.80876%0.764SS**  trans-101-177.9165.8-123.9-173.82.600109.4
762P35Very low26.8Very low104 Ų104133.8 Ų133.868%0.67576%0.763SS**  cis-155.5-175.34144.2-22000119.4
763S25.1Very low27Very low102 Ų102134.6 Ų134.671%0.71377%0.769SS**  trans69158.3147.676.80000120.2
764Q25.4Very low26.3Very low169 Ų169136.1 Ų136.179%0.7978%0.776SS**  cis-164.3162.9-23.3-115-175-7.200111.1
765F22.9Very low26.4Very low167 Ų167135.5 Ų135.573%0.73277%0.774SS**  trans78.8136.8151.2-105.4-105.1000124.2
766E22.8Very low26.6Very low182 Ų182135.1 Ų135.185%0.8578%0.776SS**  trans42.5138.8155-81.4178.6148.400125.1
767G24.1Very low26.1Very low82 Ų82134.2 Ų134.285%0.84578%0.778SS**  trans162.7126.2164.600000112.6
768A24.2Very low26.2Very low113 Ų113136.4 Ų136.493%0.93478%0.779SS**  trans-112.8152.6-176.900000112.9
769G26.4Very low26.3Very low64 Ų64137.6 Ų137.666%0.6679%0.787SS**  trans150.7119.3155.100000119.6
770H28.8Very low26.5Very low175 Ų175136 Ų13681%0.8179%0.793SS**  trans70.1109.2136.1-67.7-83.8000124.4
771I26.4Very low26.7Very low146 Ų146134.3 Ų134.375%0.74980%0.8SS**  41.1145.7125.1-15.6-176.7000122.3
772C26.8Very low26.7Very low116 Ų116134.5 Ų134.578%0.78480%0.803SS**  trans88.3121165.3-63.40000115.5
773S26.5Very low26.3Very low115 Ų115134.5 Ų134.580%0.80481%0.811SS**  cis95.3163.829.6-164.60000114.2
774V29.2Very low26.3Very low136 Ų136132.9 Ų132.982%0.82481%0.811SS**  trans90.8151.5-172.5-171.40000114.9
775Q28.2Very low26.3Very low174 Ų174131.6 Ų131.681%0.81382%0.819SS**  trans-130.1172.6-158.5-53.9158.7-75.800112.5
776S28Very low26.3Very low118 Ų118127.5 Ų127.583%0.82582%0.824SS**  trans81.4166.5145.678.60000120.5
777A28.7Very low26.4Very low91 Ų91123.4 Ų123.475%0.75282%0.821SS**  trans65.3112.7-170.700000114.9
778Q26.7Very low26.4Very low183 Ų183124.8 Ų124.886%0.85582%0.818SS**  cis90.5139.820.2-151-172.56.300115.4
779C25.3Very low26.4Very low116 Ų116125.3 Ų125.378%0.78481%0.809SS**  trans87.7125167.2-58.30000120.1
780N27.6Very low26.3Very low166 Ų166126.5 Ų126.589%0.88881%0.813SS**  trans-63.7158.6174.4-45.4-27.8000114.4
781S27.2Very low26.1Very low128 Ų128123.4 Ų123.490%0.89581%0.806SS**  -164173.8116.7-154.90000113.2
782M25.7Very low26.2Very low177 Ų177121.7 Ų121.787%0.87280%0.803SS**  trans-116.2158-161.1-165.9-179.4-159.500113
783A27.2Very low26.2Very low104 Ų104123.6 Ų123.686%0.8681%0.805SS**  trans68153.9167.700000118.4
784G24Very low26.3Very low68 Ų68121.6 Ų121.670%0.70180%0.803SS**  cis164.1155.5-12.100000115.6
785C24.9Very low26.2Very low143 Ų143122.5 Ų122.597%0.96680%0.798SS**  trans69.6143.6159.5-62.50000122.4
786G23.5Very low26.2Very low80 Ų80123.9 Ų123.983%0.82580%0.796SS**  trans100.1146.8165.800000115.6
787A25.3Very low26.3Very low97 Ų97123.8 Ų123.880%0.80279%0.786SS**  cis-161.6134.5-12.100000107.9
788S23.4Very low26.2Very low110 Ų110126.6 Ų126.677%0.76978%0.783SS**  84.6155.188.2-161.20000116.2
789V24.3Very low26.4Very low125 Ų125126.1 Ų126.176%0.75878%0.781SS**  trans73102.1173-167.90000115
790A24.7Very low26.6Very low89 Ų89129.2 Ų129.274%0.73678%0.784SS**  78.3161.977.400000113.8
791T25.4Very low26.6Very low110 Ų110125 Ų12568%0.67577%0.772SS**  cis-156.2168.823.448.50000113
792T27.1Very low26.7Very low109 Ų109126.2 Ų126.267%0.66977%0.765SS**  trans62.5148.2146.549.80000120.5
793D27.1Very low26.7Very low156 Ų156124.8 Ų124.883%0.83476%0.757SS**  cis-165.7156.7-1.1-107.1-20.9000113.9
794G29Very low26.9Very low74 Ų74126.3 Ų126.376%0.76375%0.747SS**  trans73.5150.8154.200000120
795E27.3Very low27Very low155 Ų155130.8 Ų130.872%0.72475%0.75SS**  cis-148.3134.4-8.1-99.4-160.5113.700108
796R28.5Very low27.2Very low203 Ų203129.2 Ų129.277%0.76674%0.736SS**  76.5141.892.5-121.8-176.6-178.8159-1.5114.5
797L29Very low27.3Very low116 Ų116133.4 Ų133.461%0.60773%0.734SS**  cis-146.3156.823.2-81.8157.9000112.8
798E27.6Very low27.4Very low150 Ų150134.7 Ų134.770%0.70173%0.732SS**  trans55145.5141-64.4161.4-178.100121.6
799E30Very low27.5Very low172 Ų172133.2 Ų133.280%0.80473%0.726SS**  cis174170.1-35.3-102.4150.9-106.200105.8
800E29.3Very low27.6Very low181 Ų181133.1 Ų133.185%0.84673%0.731SS**  cis-84.5-171.47.9-72.8179.68600112.8
801A27.3Very low27.6Very low77 Ų77133.9 Ų133.964%0.63673%0.731SS**  cis68147.232.100000114.2
802M30Very low28.6Very low154 Ų154134 Ų13476%0.75973%0.733SS**  cis-160.6173.3-6.2-143.564.8171.200106.6
803E26.6Very low28.5Very low148 Ų148135.2 Ų135.269%0.69274%0.741SS**  cis-159.6-171.32-146.1154.7-127.400105.6
804M30.5Very low28.5Very low135 Ų135132.3 Ų132.367%0.66573%0.732SS**  cis-162.3124.44.4-170.9174.4-174.500110.9
805E27.1Very low28.2Very low162 Ų162133.7 Ų133.776%0.75773%0.73SS**  trans54.9166.7150.2-59.4-173.1164.600121.4
806V28.7Very low28.1Very low110 Ų110131.8 Ų131.867%0.66773%0.733SS**  cis-150.2160.82.393.90000112.8
807E25.7Very low28Very low168 Ų168127.1 Ų127.179%0.78573%0.732SS**  trans-1.9167.9150.6-67.1-166.5125.500123.3
808V27Very low27.9Very low124 Ų124126.6 Ų126.675%0.75274%0.738SS**  cis-153.4175.72107.60000112.3
809A25.7Very low28.1Very low80 Ų80127.1 Ų127.166%0.66174%0.743SS**  trans-73.8-178.3-179.800000117.3
810S26.7Very low29.2Very low122 Ų122124.6 Ų124.685%0.85374%0.742SS**  trans112146.3149.3770000119.6
811S23.3Very low29.1Very low106 Ų106120.6 Ų120.674%0.74174%0.74SS**  trans-112.5-168.617060.40000107.9
812P48Very low29.3Very low111 Ų111122.5 Ų122.572%0.72175%0.749SS**  cis-134.9-152.1-6.826.60.5000112.4
813V24.8Very low30.9Very low135 Ų135121 Ų12182%0.81875%0.75SS**  trans89.9135.6156.1-168.60000119.2
814S25.6Very low31.8Very low95 Ų95118.7 Ų118.766%0.66475%0.748SS**  trans-88168.1-167.954.40000118
815S24.6Very low31.8Very low103 Ų103119.7 Ų119.772%0.7276%0.756SS**  trans105146.3138.8-59.50000121.2
816C23.6Very low31.8Very low116 Ų116118.7 Ų118.778%0.78475%0.754SS**  trans73.3115.4159.8-65.50000117.4
817S26.4Very low31.8Very low105 Ų105120.7 Ų120.773%0.73476%0.76SS**  70.7136.377.978.90000114.5
818S28.4Very low31.8Very low105 Ų105119.7 Ų119.773%0.73477%0.765SS**  cis-171.3166.82.241.60000112.4
819I31.9Very low31.7Very low160 Ų160118 Ų11882%0.82176%0.764SS**  trans-24.8157.5160.328.3171.6000117.7
820P51.3Low31.7Very low120 Ų120119.6 Ų119.678%0.77977%0.771SS**  cis-156.6-172.749.443.7-21.5000120.5
821A27.6Very low32.9Very low97 Ų97119.4 Ų119.480%0.80277%0.767SS**  trans119.4147.5140.300000120.6
822S31.5Very low33.1Very low116 Ų116119.2 Ų119.281%0.81177%0.765SS**  trans-148.6-176.4-174.6-26.30000110.5
823P63.4Low32.9Very low123 Ų123119.4 Ų119.480%0.79977%0.767SS**  cis-113.6-95.3-1630.5-8.2000112.3
824P46.3Very low33.2Very low100 Ų100116.9 Ų116.965%0.64976%0.76SS**  cis-131.9152.3-19.538-18.6000118.6
825L29.8Very low33.5Very low156 Ų156119 Ų11982%0.81777%0.769SS**  trans56.1137.1141-69.8175.2000126.6
826I28.2Very low33.6Very low140 Ų140117.6 Ų117.672%0.71876%0.764SS**  trans110.1110.6133.3-84.2164.2000123.5
827L28.7Very low33.8Very low153 Ų153120.4 Ų120.480%0.80177%0.767SS**  trans50.3120144.4-61.8170.8000125.3
828T25.5Very low33.8Very low146 Ų146120 Ų12090%0.89677%0.765SS**  -179.8161.9126.319.70000109.6
829A25.4Very low33.6Very low88 Ų88121.4 Ų121.473%0.72777%0.769SS**  cis-148.4-138.3-13.200000110.3
830S25.5Very low33.1Very low115 Ų115118.5 Ų118.580%0.80477%0.768SS**  trans-161.1179.3-176.4-36.10000110.8
831P50.3Low31.7Very low117 Ų117118.2 Ų118.276%0.7677%0.769SS**  cis-145.316637.742.4-20.6000121.4
832S27.7Very low32.7Very low102 Ų102118.9 Ų118.971%0.71377%0.765SS**  trans-14.1168.2155.859.80000122.6
833P44.9Very low32.4Very low116 Ų116120.1 Ų120.175%0.75377%0.768SS**  cis-124.7155.913.441.1-26.1000115.5
834A31.3Very low31Very low82 Ų82120 Ų12068%0.67877%0.767SS**  cis76.4142.237.300000113.2
835T32.1Very low29.9Very low140 Ų140120.1 Ų120.186%0.85978%0.777SS**  cis-157.6-170.410.4-13.60000108.2
836A26.5Very low29.9Very low72 Ų72119.2 Ų119.260%0.59578%0.777SS**  cis-169145.35.100000113.6
837M26.6Very low29.8Very low175 Ų175118.1 Ų118.186%0.86278%0.782SS**  trans71.5149.5133.7-64.1-168.777.900122.3
838S26Very low29.9Very low97 Ų97115.9 Ų115.968%0.67878%0.778SS**  cis-153.7141.66.7570000116.9
839V24.2Very low30.1Very low135 Ų135115.3 Ų115.382%0.81877%0.774SS**  trans57.8125.4130.41780000122.4
840A22.8Very low30.4Very low98 Ų98119.1 Ų119.181%0.8178%0.777SS**  169.6159.3124.800000114.7
841S21.8Very low30.8Very low115 Ų115117.1 Ų117.180%0.80476%0.763SS**  trans-164.4179168.264.40000109.5
842P47.8Very low30Very low110 Ų110118.4 Ų118.471%0.71476%0.763SS**  -123.2169.3-5038.1-25.4000112.4
843T25.8Very low30.5Very low142 Ų142120 Ų12087%0.87176%0.763SS**  trans-169.3159156.16.40000110.5
844P33.2Very low30.1Very low121 Ų121121.2 Ų121.279%0.78676%0.758SS**  trans-92.6153.7-167.336.1-34.6000114.4
845A24.9Very low30.3Very low102 Ų102124.5 Ų124.584%0.84376%0.76SS**  trans-124.9134.216500000109.5
846V27.9Very low30.6Very low138 Ų138122.8 Ų122.884%0.83675%0.745SS**  trans-94.9116.9-173.5-176.20000110.2C848V846-C848 PolarHBondContact O-N 2.9Å; V846-C848 VanDerWaalsContact O-N 3.16Å
847S26.5Very low30.9Very low117 Ų117123.5 Ų123.582%0.81875%0.751SS**  trans-82.984.7177.6560000111.7
848C30.3Very low31.5Very low105 Ų105121.1 Ų121.171%0.70975%0.746SS**  trans-93.396172.8-171.80000111.3V846V846-C848 PolarHBondContact O-N 2.9Å; V846-C848 VanDerWaalsContact O-N 3.16Å
849T31.1Very low31.6Very low134 Ų134122.9 Ų122.982%0.82275%0.747SS**  trans-144.374.2164.251.70000109.5
850Q31.9Very low32.1Very low169 Ų169124.8 Ų124.879%0.7975%0.747SS**  trans-67.4142.1164.9-74.9-179.3-80.100109.4
851S34.2Very low32.6Very low73 Ų73126 Ų12651%0.5175%0.746SS.*  trans-88.9132.5-171.8-173.70000111.7L853 E854S851-L853 PolarHBondContact O-N 3.24Å; S851-E854 PolarHBondContact O-N 2.84Å
852L33.2Very low33Very low143 Ų143127.5 Ų127.575%0.74974%0.743SS**THydrogen-bonded Turntrans-62.4-0.4179-74.2164.6000114.9
853L37.8Very low32.1Very low136 Ų136132 Ų13271%0.71275%0.751SS**THydrogen-bonded Turntrans-79.2-26.3171-80.2162.4000113.1S851S851-L853 PolarHBondContact O-N 3.24Å
854E36.9Very low32.3Very low141 Ų141128.9 Ų128.966%0.65975%0.748SS**G310 helixtrans-75.5-30.1-177-161.2169-171.100112S851 L856S851-E854 PolarHBondContact O-N 2.84Å; E854-L856 PolarHBondContact O-N 3.39Å
855E35.2Very low32.1Very low152 Ų152128.4 Ų128.471%0.7175%0.753SS**G310 helixtrans-73.3-12.3177.8-152.7-174.6-173.600113.5
856L37.3Very low32.2Very low103 Ų103127.4 Ų127.454%0.53975%0.754SS.*G310 helixtrans-83.3-8.2179.6-68.7175.5000114E854E854-L856 PolarHBondContact O-N 3.39Å
857A34.6Very low32.2Very low88 Ų88125.6 Ų125.673%0.72775%0.753SS**G310 helixtrans-85.2-11.1-175.700000114.9
858V37.2Very low32.1Very low124 Ų124125.7 Ų125.775%0.75275%0.753SS**  trans-126.470.2-170.4-167.30000112
859L29.5Very low32Very low134 Ų134128.5 Ų128.570%0.70276%0.76SS**  trans-138.676.4168.9-76179.3000111.6
860E35.3Very low31.8Very low176 Ų176126.2 Ų126.282%0.82276%0.755SS**  trans-77.1124.8167.2-177.8-179.9-160.200110.7M862E860-M862 PolarHBondContact O-N 3.32Å
861P33Very low31.8Very low123 Ų123124.4 Ų124.480%0.79976%0.758SS**  trans-89.787.3177.234.3-32.4000111.8F863P861-F863 PolarHBondContact O-N 2.85Å
862M29Very low31.5Very low147 Ų147124.4 Ų124.472%0.72477%0.769SS**  trans-61.3125.9158.6-69.6-167.2-63.900110.1E860E860-M862 PolarHBondContact O-N 3.32Å
863F30.2Very low31.3Very low204 Ų204126.4 Ų126.490%0.89578%0.779SS**  168.9132.2125.8-97.1-67.1000111.2P861P861-F863 PolarHBondContact O-N 2.85Å
864G28.1Very low30.7Very low77 Ų77123.3 Ų123.379%0.79478%0.78SS**  trans-110.1119.9175.100000112.9
865A29.8Very low30.3Very low110 Ų110126.3 Ų126.391%0.90979%0.794SS**  trans-164.4147.6158.200000108.6
866G27Very low30Very low82 Ų82126.7 Ų126.785%0.84580%0.796SS**  cis125.945.36.400000113
867A27.2Very low29.9Very low99 Ų99127.6 Ų127.682%0.81881%0.808SS**  trans-140.9124.1179.300000111.6
868S25.3Very low29.5Very low119 Ų119130.8 Ų130.883%0.83281%0.808SS**  trans-99.6137.6174.1179.40000110.3
869I28.1Very low29Very low164 Ų164131.7 Ų131.784%0.84181%0.808SS**  trans-137.4117.5168.5-55-179.9000108.1
870A25.9Very low29Very low87 Ų87135.8 Ų135.872%0.71982%0.815SS**PPolyproline II helixtrans-89.4138.517500000111.1
871P32.7Very low28.5Very low131 Ų131134.8 Ų134.885%0.85181%0.811SS**PPolyproline II helixtrans-81.7136.3173.232.2-32.8000111.9
872G27.2Very low28.1Very low72 Ų72137 Ų13774%0.74282%0.815SS**PPolyproline II helixtrans-84.7172.8171.300000113.6
873L29.1Very low27.8Very low186 Ų186138.1 Ų138.197%0.97482%0.818SS**PPolyproline II helixtrans-59.3143.6-177.9-76.968.7000113.2
874G26.8Very low27.5Very low71 Ų71134.8 Ų134.873%0.73282%0.819SS**  trans-174.775.8174.700000117.1
875Q28.1Very low27.2Very low203 Ų203139.9 Ų139.995%0.94982%0.822SS**  trans64.7133.4157.8-59.8-171.8-56.800121.5
876Q27.8Very low27.4Very low161 Ų161139.5 Ų139.575%0.75281%0.81SS**  trans-81.2156.3158.2-89.8-83.4-13.100109.9
877P35.3Very low27.3Very low121 Ų121140.5 Ų140.579%0.78680%0.804SS**  -147123.988.635.5-16.8000116.9
878E27.2Very low27.4Very low156 Ų156141.4 Ų141.473%0.72980%0.802SS**  48.3138.5113.4-109.9175.8-151.100122.9
879L27.4Very low27.4Very low143 Ų143144.6 Ų144.675%0.74980%0.803SS**  trans68.4121162.9-53.7169.8000116.1
880Y28.1Very low27.1Very low219 Ų219141.4 Ų141.486%0.85979%0.794SS**  -142.816250.8-117.8-98.1000114.6
881Q24.5Very low27Very low156 Ų156147.2 Ų147.273%0.72980%0.804SS**  trans-127.7127.7-178.5175.7-174.7-0.300110.4
882L25.2Very low26.9Very low168 Ų168149.1 Ų149.188%0.8880%0.801SS**  trans-143.9128.8166.5-80.7178.7000111.2
883Q23.3Very low26.9Very low171 Ų171156 Ų15680%0.79981%0.81SS**  trans-92.2144.8164.9-67.6165.1-98.400109.3
884C23.1Very low27.1Very low135 Ų135150.7 Ų150.791%0.91280%0.801SS**  trans-156137.6158-117.70000112
885H22.4Very low27.4Very low183 Ų183155.9 Ų155.985%0.84781%0.807SS**  trans-141.7156.5171.4-112.5-72.6000106
886P34.1Very low27.4Very low102 Ų102154.1 Ų154.166%0.66280%0.798SS**  cis-120.1-179.4-24.138.2-23.7000112.6
887S23.7Very low27.7Very low103 Ų103155.1 Ų155.172%0.7280%0.8SS**  trans22.1137.615462.30000121.4
888P30Very low27.5Very low119 Ų119153.3 Ų153.377%0.77378%0.783SS**  -135.3144.4102.638.1-30.4000116.7
889Q24.6Very low27.5Very low185 Ų185157.7 Ų157.786%0.86479%0.793SS**  trans21.1109.3146.5-65.2172.9-9.600120.7
890C23.8Very low27.6Very low97 Ų97157.3 Ų157.366%0.65579%0.786SS**  trans21.7129.5136.8-163.70000121
891F22.9Very low28Very low209 Ų209150.1 Ų150.192%0.91776%0.761SS**  trans-138.2119.8142-115-86.2000109.9
892H30.1Very low28.4Very low171 Ų171147.6 Ų147.679%0.79276%0.761SS**  trans-73.1133.2173.5-82.4-45.4000111.4
893K27.5Very low28.6Very low216 Ų216143.6 Ų143.694%0.93975%0.745SS**  trans-154.675.9153.8-151.7165.2-170.5173.70110.9
894G32.5Very low29Very low76 Ų76141.6 Ų141.678%0.78473%0.734SS**  trans-127.833.2-169.100000114.8
895E35Very low29.6Very low180 Ų180138.9 Ų138.984%0.84171%0.707SS**  trans-115.8158.8177.4-63.4-171.5153.900111.4
896H28.1Very low30.4Very low166 Ų166136 Ų13677%0.76969%0.692SS**SBendtrans96.5-5.1-173.6-64.7-76.4000119.1L898H896-L898 PolarHBondContact O-N 3.28Å
897F33.6Very low30.4Very low182 Ų182134.7 Ų134.780%0.79868%0.679SS**SBendtrans-74.4-17.5-166.1-141.6-97.1000117.4
898L30.9Very low31.2Very low83 Ų83131.7 Ų131.744%0.43566%0.655SS.*SBendtrans-113.7-15.1-168.9-86122.8000117.8F75 H896 F900 I901F75-L898 HydrophobicContact CD1-CD1 3.65Å; F75-L898 HydrophobicContact CD2-CD1 3.82Å; F75-L898 HydrophobicContact CD2-CD2 3.51Å; F75-L898 HydrophobicContact CD2-CG 4.31Å; F75-L898 HydrophobicContact CE1-CD1 3.55Å; F75-L898 HydrophobicContact CE2-CD1 3.7Å; F75-L898 HydrophobicContact CE2-CD2 3.74Å; F75-L898 HydrophobicContact CE2-CG 4.38Å; F75-L898 HydrophobicContact CG-CD1 3.79Å; F75-L898 HydrophobicContact CG-CD2 4.06Å; F75-L898 HydrophobicContact CZ-CD1 3.57Å; F75-L898 HydrophobicContact CZ-CD2 4.47Å; H896-L898 PolarHBondContact O-N 3.28Å; L898-F900 VanDerWaalsContact C-N 3.28Å; L898-F900 PolarHBondContact O-N 2.9Å; L898-I901 HydrophobicContact CB-CD1 4.47Å; L898-I901 HydrophobicContact CD2-CD1 3.79Å; L898-I901 HydrophobicContact CG-CD1 3.82Å
899R26.1Very low31.8Very low248 Ų248127 Ų12794%0.93663%0.625SS**THydrogen-bonded Turntrans-80.7-1.7175.9-82.5-170.5175179-0.5115
900F31.1Very low32.7Very low134 Ų134123.8 Ų123.859%0.58861%0.61SS**THydrogen-bonded Turntrans-106-3.7175.5-78.5-80.1000114.1L898 S902 P903 F904L898-F900 VanDerWaalsContact C-N 3.28Å; L898-F900 PolarHBondContact O-N 2.9Å; F900-S902 PolarHBondContact O-N 3.14Å; F900-P903 WeakPolarHBondContact O-CD 3.32Å; F900-F904 WeakPolarHBondContact O-CB 3.25Å; F900-F904 PolarHBondContact O-N 3.23Å
901I35.3Very low33.6Very low68 Ų68124.7 Ų124.735%0.34960%0.603SS.*Hα-helixtrans-65.6-40.2-165.1-72.9-173.2000113.2L898 F904 F905L898-I901 HydrophobicContact CB-CD1 4.47Å; L898-I901 HydrophobicContact CD2-CD1 3.79Å; L898-I901 HydrophobicContact CG-CD1 3.82Å; I901-F904 PolarHBondContact O-N 3.47Å; I901-F905 HydrophobicContact CG2-CB 3.85Å; I901-F905 HydrophobicContact CG2-CG 4.36Å; I901-F905 WeakPolarHBondContact O-CA 3.15Å; I901-F905 WeakPolarHBondContact O-CB 3.27Å; I901-F905 PolarHBondContact O-N 3.11Å
902S33Very low34.7Very low104 Ų104115.2 Ų115.273%0.72756%0.561SS**Hα-helixtrans-52-60.9-179.1175.70000113.7F900 F906F900-S902 PolarHBondContact O-N 3.14Å; S902-F906 VanDerWaalsContact O-CB 3.28Å; S902-F906 WeakPolarHBondContact O-CB 3.43Å; S902-F906 PolarHBondContact O-N 3.45Å; S902-F906 VanDerWaalsContact O-N 3.11Å
903P29.7Very low35.5Very low84 Ų84115.8 Ų115.855%0.54556%0.556SS.*Hα-helixtrans-70.7-35.1178.527.4-35.6000113.8F900 L907F900-P903 WeakPolarHBondContact O-CD 3.32Å; P903-L907 WeakPolarHBondContact O-CB 3.41Å; P903-L907 PolarHBondContact O-N 2.87Å
904F30.7Very low36.3Very low128 Ų128109.2 Ų109.256%0.56154%0.538SS*.Hα-helixtrans-77.3-36.3-175.2-130.6-90.8000112.4F900 I901 L907 I908F900-F904 WeakPolarHBondContact O-CB 3.25Å; F900-F904 PolarHBondContact O-N 3.23Å; I901-F904 PolarHBondContact O-N 3.47Å; F904-L907 PolarHBondContact O-N 2.91Å; F904-I908 HydrophobicContact CD1-CD1 4.19Å; F904-I908 WeakPolarHBondContact O-CB 3.43Å; F904-I908 WeakPolarHBondContact O-CD1 3.32Å; F904-I908 WeakPolarHBondContact O-CG1 3.27Å; F904-I908 PolarHBondContact O-N 3.15Å
905F37.5Very low37Very low79 Ų79106.8 Ų106.835%0.34651%0.507SS..Hα-helixtrans-70.4-39.9172.7-168.7-105.7000110.6I901 L907 I908 C909I901-F905 HydrophobicContact CG2-CB 3.85Å; I901-F905 HydrophobicContact CG2-CG 4.36Å; I901-F905 WeakPolarHBondContact O-CA 3.15Å; I901-F905 WeakPolarHBondContact O-CB 3.27Å; I901-F905 PolarHBondContact O-N 3.11Å; F905-L907 VanDerWaalsContact C-N 3.34Å; F905-L907 PolarHBondContact O-N 3.12Å; F905-I908 CarbonylContact O-C 3.53Å; F905-I908 PolarHBondContact O-N 3.09Å; F905-C909 WeakPolarHBondContact O-CB 3.43Å; F905-C909 PolarHBondContact O-N 3.31Å; F905-C909 PolarHBondContact O-SG 3.46Å
906F37.6Very low37.7Very low121 Ų121100.5 Ų100.553%0.53148%0.478SS..Hα-helixtrans-56.6-47.5170.8-169.4-87000111.4S902 I908 C909 E910S902-F906 VanDerWaalsContact O-CB 3.28Å; S902-F906 WeakPolarHBondContact O-CB 3.43Å; S902-F906 PolarHBondContact O-N 3.45Å; S902-F906 VanDerWaalsContact O-N 3.11Å; F906-I908 VanDerWaalsContact C-N 3.35Å; F906-I908 PolarHBondContact O-N 3.34Å; F906-C909 PolarHBondContact O-N 3.45Å; F906-E910 HydrophobicContact CD1-CG 4.12Å; F906-E910 HydrophobicContact CE1-CG 3.78Å; F906-E910 HydrophobicContact CZ-CG 4.43Å; F906-E910 PolarHBondContact O-N 3.2Å
907L34.7Very low38.6Very low76 Ų7699.1 Ų99.140%0.39847%0.47SS..Hα-helixtrans-63.8-35.7176.2-173.667.8000113.2P903 F904 F905 K911P903-L907 WeakPolarHBondContact O-CB 3.41Å; P903-L907 PolarHBondContact O-N 2.87Å; F904-L907 PolarHBondContact O-N 2.91Å; F905-L907 VanDerWaalsContact C-N 3.34Å; F905-L907 PolarHBondContact O-N 3.12Å; L907-K911 WeakPolarHBondContact O-CB 3.39Å; L907-K911 VanDerWaalsContact O-CG 3.29Å; L907-K911 WeakPolarHBondContact O-CG 3.35Å; L907-K911 PolarHBondContact O-N 3.29Å
908I41.2Very low39.1Very low39 Ų3994.5 Ų94.520%0.245%0.453CS..Hα-helixtrans-67.8-42173.5-73.1166.2000110.5L26 F904 F905 F906 K911 L912L26-I908 HydrophobicContact CB-CG2 4.49Å; L26-I908 HydrophobicContact CD2-CG1 4.33Å; F904-I908 HydrophobicContact CD1-CD1 4.19Å; F904-I908 WeakPolarHBondContact O-CB 3.43Å; F904-I908 WeakPolarHBondContact O-CD1 3.32Å; F904-I908 WeakPolarHBondContact O-CG1 3.27Å; F904-I908 PolarHBondContact O-N 3.15Å; F905-I908 CarbonylContact O-C 3.53Å; F905-I908 PolarHBondContact O-N 3.09Å; F906-I908 VanDerWaalsContact C-N 3.35Å; F906-I908 PolarHBondContact O-N 3.34Å; I908-K911 PolarHBondContact O-N 3.4Å; I908-L912 HydrophobicContact CG2-CD1 3.88Å; I908-L912 WeakPolarHBondContact O-CB 3.41Å; I908-L912 VanDerWaalsContact O-CD1 3.27Å; I908-L912 WeakPolarHBondContact O-CD1 3.45Å; I908-L912 PolarHBondContact O-N 3.17Å
909C41.3Very low40Very low22 Ų2292.3 Ų92.315%0.14944%0.441CS..Hα-helixtrans-71.7-37.7180-690000112.6S53 F905 F906 L912 R913S53-C909 WeakPolarHBondContact CB-SG 3.49Å; S53-C909 PolarHBondContact OG-SG 3.05Å; F905-C909 WeakPolarHBondContact O-CB 3.43Å; F905-C909 PolarHBondContact O-N 3.31Å; F905-C909 PolarHBondContact O-SG 3.46Å; F906-C909 PolarHBondContact O-N 3.45Å; C909-L912 PolarHBondContact O-N 2.95Å; C909-R913 WeakPolarHBondContact O-CB 3.49Å; C909-R913 PolarHBondContact O-N 3.23Å
910E44.9Very low41.1Very low117 Ų11786.3 Ų86.355%0.54742%0.419SS..Hα-helixtrans-60.3-47.1167.3-83.1-137.5115.300111.3F906 R913 S914F906-E910 HydrophobicContact CD1-CG 4.12Å; F906-E910 HydrophobicContact CE1-CG 3.78Å; F906-E910 HydrophobicContact CZ-CG 4.43Å; F906-E910 PolarHBondContact O-N 3.2Å; E910-R913 PolarHBondContact O-N 3.06Å; E910-S914 WeakPolarHBondContact O-CB 3.33Å; E910-S914 PolarHBondContact O-N 3.38Å
911K41.8Very low41.7Very low116 Ų11682.4 Ų82.450%0.50441%0.407SS..Hα-helixtrans-60.5-47.5176.2-79.6177.5178.1179.30111.4L907 I908 S914 L915L907-K911 WeakPolarHBondContact O-CB 3.39Å; L907-K911 VanDerWaalsContact O-CG 3.29Å; L907-K911 WeakPolarHBondContact O-CG 3.35Å; L907-K911 PolarHBondContact O-N 3.29Å; I908-K911 PolarHBondContact O-N 3.4Å; K911-S914 PolarHBondContact O-N 2.91Å; K911-L915 WeakPolarHBondContact O-CB 3.44Å; K911-L915 PolarHBondContact O-N 3.46Å
912L46.5Very low42.1Very low10 Ų1080.9 Ų80.95%0.05240%0.4CS..Hα-helixtrans-61.3-45.9176.2-98.573.9000111.6L23 L26 A46 I908 C909 S914 L915 I916L23-L912 HydrophobicContact CD1-CD1 3.64Å; L23-L912 HydrophobicContact CD1-CD2 3.97Å; L23-L912 HydrophobicContact CD1-CG 3.53Å; L26-L912 HydrophobicContact CB-CD1 4.47Å; L26-L912 HydrophobicContact CD1-CD1 4.01Å; A46-L912 HydrophobicContact CB-CD2 4.16Å; I908-L912 HydrophobicContact CG2-CD1 3.88Å; I908-L912 WeakPolarHBondContact O-CB 3.41Å; I908-L912 VanDerWaalsContact O-CD1 3.27Å; I908-L912 WeakPolarHBondContact O-CD1 3.45Å; I908-L912 PolarHBondContact O-N 3.17Å; C909-L912 PolarHBondContact O-N 2.95Å; L912-S914 PolarHBondContact O-N 2.92Å; L912-L915 PolarHBondContact O-N 3.3Å; L912-I916 HydrophobicContact CB-CD1 4.48Å; L912-I916 VanDerWaalsContact O-CB 3.27Å; L912-I916 WeakPolarHBondContact O-CB 3.5Å; L912-I916 WeakPolarHBondContact O-CD1 3.35Å; L912-I916 WeakPolarHBondContact O-CG1 3.2Å; L912-I916 PolarHBondContact O-N 3.46Å
913R46.5Very low42.7Very low182 Ų18282.7 Ų82.769%0.68740%0.395SS*.Hα-helixtrans-62.1-44.2179.2-173.3178.4-173.9176.42.6111.8C909 E910 F917C909-R913 WeakPolarHBondContact O-CB 3.49Å; C909-R913 PolarHBondContact O-N 3.23Å; E910-R913 PolarHBondContact O-N 3.06Å; R913-F917 WeakPolarHBondContact O-CB 3.41Å; R913-F917 PolarHBondContact O-N 3.43Å
914S43.4Very low43.3Very low78 Ų7882 Ų8255%0.54539%0.386SS..Hα-helixtrans-66.1-41.5175.6-171.60000111.6E910 K911 L912 F917 L918E910-S914 WeakPolarHBondContact O-CB 3.33Å; E910-S914 PolarHBondContact O-N 3.38Å; K911-S914 PolarHBondContact O-N 2.91Å; L912-S914 PolarHBondContact O-N 2.92Å; S914-F917 PolarHBondContact O-N 2.92Å; S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.37Å
915L47.1Very low43.6Very low25 Ų2578.4 Ų78.413%0.13138%0.377CS..Hα-helixtrans-66.5-43.9176.5-149.676.4000111.7E19 L23 K911 L912 F917 L918 F919E19-L915 HydrophobicContact CB-CD1 4.02Å; E19-L915 HydrophobicContact CB-CD2 4.27Å; E19-L915 HydrophobicContact CB-CG 4.47Å; E19-L915 HydrophobicContact CG-CD1 4.06Å; L23-L915 HydrophobicContact CB-CD2 3.93Å; L23-L915 HydrophobicContact CD1-CD2 4.38Å; L23-L915 HydrophobicContact CD2-CD2 4.27Å; L23-L915 HydrophobicContact CG-CD2 4.44Å; K911-L915 WeakPolarHBondContact O-CB 3.44Å; K911-L915 PolarHBondContact O-N 3.46Å; L912-L915 PolarHBondContact O-N 3.3Å; L915-F917 VanDerWaalsContact C-N 3.34Å; L915-L918 CarbonylContact O-C 3.52Å; L915-L918 WeakPolarHBondContact O-CA 3.13Å; L915-L918 VanDerWaalsContact O-CB 3.27Å; L915-L918 WeakPolarHBondContact O-CB 3.48Å; L915-L918 PolarHBondContact O-N 3.09Å; L915-L918 VanDerWaalsContact O-N 3.15Å; L915-F919 HydrophobicContact CD2-CE2 4.17Å; L915-F919 HydrophobicContact CG-CD2 4.14Å; L915-F919 HydrophobicContact CG-CE2 4.06Å; L915-F919 VanDerWaalsContact O-CD2 3.25Å; L915-F919 WeakPolarHBondContact O-CD2 3.37Å; L915-F919 PolarHBondContact O-N 2.93Å
916I50.6Low43.7Very low48 Ų4877.9 Ų77.925%0.24638%0.375CS..Hα-helixtrans-64.1-39.9176.9-72164.6000110.5T50 L912 F919 Y920T50-I916 HydrophobicContact CG2-CD1 4.02Å; T50-I916 VanDerWaalsContact OG1-CD1 3.23Å; T50-I916 WeakPolarHBondContact OG1-CD1 3.48Å; L912-I916 HydrophobicContact CB-CD1 4.48Å; L912-I916 VanDerWaalsContact O-CB 3.27Å; L912-I916 WeakPolarHBondContact O-CB 3.5Å; L912-I916 WeakPolarHBondContact O-CD1 3.35Å; L912-I916 WeakPolarHBondContact O-CG1 3.2Å; L912-I916 PolarHBondContact O-N 3.46Å; I916-F919 PolarHBondContact O-N 2.97Å; I916-Y920 WeakPolarHBondContact O-CB 3.46Å; I916-Y920 PolarHBondContact O-N 3.41Å
917F47.5Very low43.7Very low137 Ų13779.5 Ų79.560%0.60138%0.377SS*.Hα-helixtrans-61.7-44.4170.6-175.5-100.7000111.5R913 S914 L915 F919 Y920 C921R913-F917 WeakPolarHBondContact O-CB 3.41Å; R913-F917 PolarHBondContact O-N 3.43Å; S914-F917 PolarHBondContact O-N 2.92Å; L915-F917 VanDerWaalsContact C-N 3.34Å; F917-F919 VanDerWaalsContact C-N 3.33Å; F917-F919 PolarHBondContact O-N 2.84Å; F917-Y920 PolarHBondContact O-N 2.94Å; F917-C921 PolarHBondContact O-N 2.95Å; F917-C921 PolarHBondContact O-SG 3.47Å; F917-C921 VanDerWaalsContact O-SG 3.37Å
918L44.1Very low43.7Very low85 Ų8585.2 Ų85.245%0.44539%0.394SS..Hα-helixtrans-58.7-43.6173.3-141.880.4000111.6S914 L915 C921 L922S914-L918 WeakPolarHBondContact O-CB 3.46Å; S914-L918 PolarHBondContact O-N 3.37Å; L915-L918 CarbonylContact O-C 3.52Å; L915-L918 WeakPolarHBondContact O-CA 3.13Å; L915-L918 VanDerWaalsContact O-CB 3.27Å; L915-L918 WeakPolarHBondContact O-CB 3.48Å; L915-L918 PolarHBondContact O-N 3.09Å; L915-L918 VanDerWaalsContact O-N 3.15Å; L918-C921 PolarHBondContact O-N 3.46Å; L918-L922 HydrophobicContact CG-CD1 4.43Å; L918-L922 VanDerWaalsContact O-CB 3.27Å; L918-L922 WeakPolarHBondContact O-CB 3.37Å; L918-L922 WeakPolarHBondContact O-CD1 3.36Å; L918-L922 WeakPolarHBondContact O-CG 3.28Å; L918-L922 PolarHBondContact O-N 3.34Å
919F50.2Low43.4Very low38 Ų3887.6 Ų87.617%0.16740%0.404CS..Hα-helixtrans-64.3-39.5176.1-93.3-75.9000112.4I16 E19 I20 M43 L915 I916 F917 L922 F923I16-F919 HydrophobicContact CG2-CE1 3.75Å; I16-F919 HydrophobicContact CG2-CZ 3.97Å; E19-F919 HydrophobicContact CB-CE2 4.39Å; I20-F919 HydrophobicContact CD1-CE1 4.29Å; I20-F919 HydrophobicContact CD1-CZ 4.15Å; I20-F919 HydrophobicContact CG1-CE1 4.21Å; I20-F919 HydrophobicContact CG1-CE2 4.43Å; I20-F919 HydrophobicContact CG1-CZ 3.59Å; M43-F919 HydrophobicContact CE-CD1 4.46Å; M43-F919 HydrophobicContact CE-CD2 4.27Å; M43-F919 HydrophobicContact CE-CG 4.15Å; L915-F919 HydrophobicContact CD2-CE2 4.17Å; L915-F919 HydrophobicContact CG-CD2 4.14Å; L915-F919 HydrophobicContact CG-CE2 4.06Å; L915-F919 VanDerWaalsContact O-CD2 3.25Å; L915-F919 WeakPolarHBondContact O-CD2 3.37Å; L915-F919 PolarHBondContact O-N 2.93Å; I916-F919 PolarHBondContact O-N 2.97Å; F917-F919 VanDerWaalsContact C-N 3.33Å; F917-F919 PolarHBondContact O-N 2.84Å; F919-L922 PolarHBondContact O-N 3.3Å; F919-F923 VanDerWaalsContact O-CB 3.25Å; F919-F923 WeakPolarHBondContact O-CB 3.48Å; F919-F923 PolarHBondContact O-N 2.66Å
920Y47.6Very low42.9Very low122 Ų12296.1 Ų96.148%0.47843%0.433SS..Hα-helixtrans-65.3-47.3175.1-174-113.1000111.3I916 F917 L922 F923 L924I916-Y920 WeakPolarHBondContact O-CB 3.46Å; I916-Y920 PolarHBondContact O-N 3.41Å; F917-Y920 PolarHBondContact O-N 2.94Å; Y920-L922 VanDerWaalsContact C-N 3.32Å; Y920-L922 PolarHBondContact O-N 2.88Å; Y920-F923 PolarHBondContact O-N 3.08Å; Y920-L924 HydrophobicContact CD1-CD1 3.81Å; Y920-L924 HydrophobicContact CE1-CD1 3.51Å; Y920-L924 HydrophobicContact CE1-CG 4.49Å; Y920-L924 HydrophobicContact CE2-CD1 4.45Å; Y920-L924 HydrophobicContact CG-CD1 4.4Å; Y920-L924 WeakPolarHBondContact O-CB 3.28Å; Y920-L924 WeakPolarHBondContact O-CG 3.43Å; Y920-L924 PolarHBondContact O-N 3.29Å
921C43.5Very low42.3Very low51 Ų5198.2 Ų98.235%0.34544%0.44SS..Hα-helixtrans-61-38.1173.2-68.10000112.6F917 L918 S925F917-C921 PolarHBondContact O-N 2.95Å; F917-C921 PolarHBondContact O-SG 3.47Å; F917-C921 VanDerWaalsContact O-SG 3.37Å; L918-C921 PolarHBondContact O-N 3.46Å; C921-S925 WeakPolarHBondContact O-CB 3.2Å; C921-S925 PolarHBondContact O-N 2.92Å; C921-S925 PolarHBondContact O-OG 3.3Å
922L45.5Very low42Very low36 Ų3695.2 Ų95.219%0.18843%0.433CS..Hα-helixtrans-70.2-39.4175.5-75.4164.7000112.1R12 I16 L918 F919 Y920 S925 F926R12-L922 HydrophobicContact CG-CD2 4.34Å; I16-L922 HydrophobicContact CD1-CD1 4.2Å; I16-L922 HydrophobicContact CD1-CD2 4.48Å; I16-L922 HydrophobicContact CG1-CD1 3.97Å; L918-L922 HydrophobicContact CG-CD1 4.43Å; L918-L922 VanDerWaalsContact O-CB 3.27Å; L918-L922 WeakPolarHBondContact O-CB 3.37Å; L918-L922 WeakPolarHBondContact O-CD1 3.36Å; L918-L922 WeakPolarHBondContact O-CG 3.28Å; L918-L922 PolarHBondContact O-N 3.34Å; F919-L922 PolarHBondContact O-N 3.3Å; Y920-L922 VanDerWaalsContact C-N 3.32Å; Y920-L922 PolarHBondContact O-N 2.88Å; L922-S925 CarbonylContact O-C 3.53Å; L922-S925 WeakPolarHBondContact O-CB 3.36Å; L922-S925 PolarHBondContact O-N 2.85Å; L922-F926 WeakPolarHBondContact O-CD2 3.37Å; L922-F926 PolarHBondContact O-N 3.33Å
923F43.7Very low41.4Very low143 Ų14398.1 Ų98.163%0.62746%0.455SS*.Hα-helixtrans-68.2-42.2177.1-169.8-98000111.5F919 Y920 S925 F926 R927F919-F923 VanDerWaalsContact O-CB 3.25Å; F919-F923 WeakPolarHBondContact O-CB 3.48Å; F919-F923 PolarHBondContact O-N 2.66Å; Y920-F923 PolarHBondContact O-N 3.08Å; F923-S925 VanDerWaalsContact C-N 3.33Å; F923-S925 PolarHBondContact O-N 3.19Å; F923-F926 PolarHBondContact O-N 2.94Å; F923-R927 WeakPolarHBondContact O-CB 3.47Å; F923-R927 PolarHBondContact O-N 3.1Å
924L43.2Very low40.7Very low70 Ų7093.5 Ų93.537%0.36645%0.45SS..Hα-helixtrans-58.1-44.7167.9-77.6167.6000111.3Y920 F926 R927 W928Y920-L924 HydrophobicContact CD1-CD1 3.81Å; Y920-L924 HydrophobicContact CE1-CD1 3.51Å; Y920-L924 HydrophobicContact CE1-CG 4.49Å; Y920-L924 HydrophobicContact CE2-CD1 4.45Å; Y920-L924 HydrophobicContact CG-CD1 4.4Å; Y920-L924 WeakPolarHBondContact O-CB 3.28Å; Y920-L924 WeakPolarHBondContact O-CG 3.43Å; Y920-L924 PolarHBondContact O-N 3.29Å; L924-F926 PolarHBondContact O-N 3.3Å; L924-R927 PolarHBondContact O-N 2.96Å; L924-W928 WeakPolarHBondContact O-CB 3.42Å; L924-W928 PolarHBondContact O-N 3.4Å
925S36.4Very low40.5Very low52 Ų5295.5 Ų95.536%0.36446%0.459SS..Hα-helixtrans-62.2-39175.8-60.50000112.6C921 L922 F923 W928 E929C921-S925 WeakPolarHBondContact O-CB 3.2Å; C921-S925 PolarHBondContact O-N 2.92Å; C921-S925 PolarHBondContact O-OG 3.3Å; L922-S925 CarbonylContact O-C 3.53Å; L922-S925 WeakPolarHBondContact O-CB 3.36Å; L922-S925 PolarHBondContact O-N 2.85Å; F923-S925 VanDerWaalsContact C-N 3.33Å; F923-S925 PolarHBondContact O-N 3.19Å; S925-W928 PolarHBondContact O-N 2.89Å; S925-E929 WeakPolarHBondContact O-CB 3.33Å; S925-E929 WeakPolarHBondContact O-CG 3.48Å; S925-E929 PolarHBondContact O-N 2.84Å
926F40.5Very low40Very low67 Ų67101.5 Ų101.529%0.29449%0.49SS..Hα-helixtrans-66.4-41.8173.9-94.3-74.1000112.1R13 I16 L922 F923 L924 W928 E929 W930R13-F926 HydrophobicContact CG-CZ 4.47Å; I16-F926 HydrophobicContact CD1-CE2 3.92Å; L922-F926 WeakPolarHBondContact O-CD2 3.37Å; L922-F926 PolarHBondContact O-N 3.33Å; F923-F926 PolarHBondContact O-N 2.94Å; L924-F926 PolarHBondContact O-N 3.3Å; F926-W928 VanDerWaalsContact C-N 3.3Å; F926-W928 PolarHBondContact O-N 3.16Å; F926-E929 PolarHBondContact O-N 3.35Å; F926-W930 WeakPolarHBondContact O-CB 3.45Å; F926-W930 PolarHBondContact O-N 3.46Å
927R38.4Very low39.1Very low155 Ų155110.3 Ų110.359%0.58553%0.527SS*.Hα-helixtrans-63.5-35174.3177.4167.3144.7164.2-9111.5F923 L924 K931F923-R927 WeakPolarHBondContact O-CB 3.47Å; F923-R927 PolarHBondContact O-N 3.1Å; L924-R927 PolarHBondContact O-N 2.96Å; R927-K931 WeakPolarHBondContact O-CB 3.37Å; R927-K931 PolarHBondContact O-N 2.87Å; R927-K931 VanDerWaalsContact O-N 3.11Å
928W32.8Very low38.7Very low196 Ų196109 Ų10974%0.74252%0.523SS*.Hα-helixtrans-70.3-50.8172.2-125.578.3000112.2L924 S925 F926 W930 K931 C932L924-W928 WeakPolarHBondContact O-CB 3.42Å; L924-W928 PolarHBondContact O-N 3.4Å; S925-W928 PolarHBondContact O-N 2.89Å; F926-W928 VanDerWaalsContact C-N 3.3Å; F926-W928 PolarHBondContact O-N 3.16Å; W928-W930 VanDerWaalsContact C-N 3.31Å; W928-W930 PolarHBondContact O-N 2.87Å; W928-K931 PolarHBondContact O-N 3.19Å; W928-K931 VanDerWaalsContact O-N 3.14Å; W928-C932 WeakPolarHBondContact O-CB 3.26Å; W928-C932 PolarHBondContact O-N 2.98Å; W928-C932 PolarHBondContact O-SG 3.43Å
929E36Very low38.4Very low90 Ų90110.2 Ų110.242%0.42153%0.527SS..Hα-helixtrans-60.1-37.8178.1-79.1-180-174.400112.1R12 S925 F926 S933R12-E929 IonicContact CZ-OE1 2.73Å; R12-E929 VanDerWaalsContact CZ-OE1 3.27Å; R12-E929 IonicContact CZ-OE2 3.69Å; R12-E929 IonicContact NH1-OE1 3.92Å; R12-E929 PolarHBondContact NH1-OE1 2.82Å; R12-E929 IonicContact NH1-OE2 2.79Å; R12-E929 PolarHBondContact NH1-OE2 3.48Å; R12-E929 IonicContact NH2-OE1 3.08Å; R12-E929 PolarHBondContact NH2-OE1 3.29Å; S925-E929 WeakPolarHBondContact O-CB 3.33Å; S925-E929 WeakPolarHBondContact O-CG 3.48Å; S925-E929 PolarHBondContact O-N 2.84Å; F926-E929 PolarHBondContact O-N 3.35Å; E929-S933 WeakPolarHBondContact O-CB 3.46Å; E929-S933 PolarHBondContact O-N 2.89Å
930W31.3Very low37.8Very low200 Ų200114.2 Ų114.276%0.75855%0.547SS*.Hα-helixtrans-65.1-47.9171.6-102.271.2000112.5F926 W928 C932 S933 S934F926-W930 WeakPolarHBondContact O-CB 3.45Å; F926-W930 PolarHBondContact O-N 3.46Å; W928-W930 VanDerWaalsContact C-N 3.31Å; W928-W930 PolarHBondContact O-N 2.87Å; W930-C932 VanDerWaalsContact C-N 3.34Å; W930-C932 PolarHBondContact O-N 3.32Å; W930-S933 CarbonylContact O-C 3.57Å; W930-S933 PolarHBondContact O-N 2.88Å; W930-S933 VanDerWaalsContact O-N 3.15Å; W930-S934 WeakPolarHBondContact O-CB 2.79Å; W930-S934 PolarHBondContact O-N 3.49Å
931K32.4Very low37.2Very low161 Ų161113.8 Ų113.870%0.755%0.551SS**Hα-helixtrans-66.3-37.5-177.7-156.2164.8-173.2176.50111.4R927 W928 S934 V935R927-K931 WeakPolarHBondContact O-CB 3.37Å; R927-K931 PolarHBondContact O-N 2.87Å; R927-K931 VanDerWaalsContact O-N 3.11Å; W928-K931 PolarHBondContact O-N 3.19Å; W928-K931 VanDerWaalsContact O-N 3.14Å; K931-S934 PolarHBondContact O-N 2.92Å; K931-V935 WeakPolarHBondContact O-CG2 3.5Å; K931-V935 PolarHBondContact O-N 3.34Å
932C34.9Very low36.8Very low53 Ų53117.7 Ų117.736%0.35856%0.564SS.*Hα-helixtrans-64.4-45.8168.5-68.20000112.3W928 W930 S934 V935 L936W928-C932 WeakPolarHBondContact O-CB 3.26Å; W928-C932 PolarHBondContact O-N 2.98Å; W928-C932 PolarHBondContact O-SG 3.43Å; W930-C932 VanDerWaalsContact C-N 3.34Å; W930-C932 PolarHBondContact O-N 3.32Å; C932-S934 PolarHBondContact O-N 3.3Å; C932-V935 PolarHBondContact O-N 3.12Å; C932-V935 VanDerWaalsContact O-N 3.09Å; C932-L936 PolarHBondContact O-N 3.37Å; C932-L936 VanDerWaalsContact O-N 3.12Å
933S33.1Very low36.2Very low72 Ų72123.1 Ų123.150%0.50359%0.589SS.*Hα-helixtrans-69.1-14179.8-171.90000114.2E929 W930E929-S933 WeakPolarHBondContact O-CB 3.46Å; E929-S933 PolarHBondContact O-N 2.89Å; W930-S933 CarbonylContact O-C 3.57Å; W930-S933 PolarHBondContact O-N 2.88Å; W930-S933 VanDerWaalsContact O-N 3.15Å
934S33.5Very low35.7Very low85 Ų85121.7 Ų121.759%0.59459%0.586SS**THydrogen-bonded Turntrans-99.1-0.9173.2-164.50000113.7W930 K931 C932W930-S934 WeakPolarHBondContact O-CB 2.79Å; W930-S934 PolarHBondContact O-N 3.49Å; K931-S934 PolarHBondContact O-N 2.92Å; C932-S934 PolarHBondContact O-N 3.3Å
935V37.3Very low35.1Very low119 Ų119125.7 Ų125.772%0.72160%0.603SS**THydrogen-bonded Turntrans-108.2-7.3170.3172.10000111K931 C932K931-V935 WeakPolarHBondContact O-CG2 3.5Å; K931-V935 PolarHBondContact O-N 3.34Å; C932-V935 PolarHBondContact O-N 3.12Å; C932-V935 VanDerWaalsContact O-N 3.09Å
936L36.5Very low35Very low151 Ų151131.8 Ų131.879%0.79162%0.623SS**  trans-110.327.6174.2-83.7149.9000112.4C932C932-L936 PolarHBondContact O-N 3.37Å; C932-L936 VanDerWaalsContact O-N 3.12Å
937K33.5Very low34.5Very low233 Ų233137.7 Ų137.7100%1.01365%0.653SS**  trans-137.30171.7-87.4-172.8172.5-176.10109.2

Retrieved 937 of 937 residues in 271.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).