A0A087X484_POEFO Loading...

Potassium inwardly rectifying channel subfamily J member 10

AlphaFold DB , UniProt , Accession A0A087X484, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 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
1M77.4Confident89.4Confident161 Ų161102.3 Ų102.379%0.79346%0.459SS*.  0137.90-64.6-174.7-176.500112.5K6 F9 K107M1-K6 HydrophobicContact CB-CG 4.31Å; M1-F9 HydrophobicContact CE-CE2 4.29Å; M1-F9 HydrophobicContact SD-CD2 4.17Å; M1-F9 HydrophobicContact SD-CE2 3.96Å; M1-K107 PolarHBondContact O-NZ 3.09Å
2Q86.5Confident89.8Confident112 Ų11297.6 Ų97.652%0.52345%0.452SS..  trans-66.3161.3171-63.3174.6-16.400110.7R4 Y5 K6Q2-R4 VanDerWaalsContact C-N 3.33Å; Q2-R4 HydrophobicContact CB-CG 4.21Å; Q2-R4 PolarHBondContact O-N 2.93Å; Q2-R4 VanDerWaalsContact OE1-NH2 3.09Å; Q2-Y5 HydrophobicContact CB-CD2 4.01Å; Q2-Y5 HydrophobicContact CB-CE2 4.43Å; Q2-Y5 PolarHBondContact O-N 3.37Å; Q2-K6 PolarHBondContact O-N 2.64Å
3W87.4Confident90.1Very high99 Ų9994.9 Ų94.938%0.37545%0.447SS..Hα-helixtrans-58.5-41.5-178.6-81.9113000112.9Y5 K6 F7 F104 K107 V108W3-Y5 VanDerWaalsContact C-N 3.32Å; W3-Y5 PolarHBondContact O-N 2.76Å; W3-K6 PolarHBondContact O-N 3.03Å; W3-F7 HydrophobicContact CB-CD2 4.29Å; W3-F7 HydrophobicContact CB-CE2 4.14Å; W3-F7 HydrophobicContact CD2-CE2 4.27Å; W3-F7 HydrophobicContact CE3-CD2 4.29Å; W3-F7 AromaticContact CE3-CE2 3.61Å; W3-F7 HydrophobicContact CE3-CE2 3.61Å; W3-F7 AromaticContact CE3-CZ 3.9Å; W3-F7 HydrophobicContact CE3-CZ 3.9Å; W3-F7 HydrophobicContact CZ3-CE2 4.35Å; W3-F7 HydrophobicContact CZ3-CZ 4.17Å; W3-F7 VanDerWaalsContact O-CD2 3.23Å; W3-F7 WeakPolarHBondContact O-CD2 3.47Å; W3-F7 PolarHBondContact O-N 3.32Å; W3-F104 AromaticContact CH2-CD2 3.96Å; W3-F104 HydrophobicContact CH2-CD2 3.96Å; W3-F104 AromaticContact CH2-CE2 3.72Å; W3-F104 HydrophobicContact CH2-CE2 3.72Å; W3-F104 HydrophobicContact CH2-CZ 4.19Å; W3-F104 AromaticContact CZ3-CD2 3.64Å; W3-F104 HydrophobicContact CZ3-CD2 3.64Å; W3-F104 AromaticContact CZ3-CE2 3.45Å; W3-F104 HydrophobicContact CZ3-CE2 3.45Å; W3-F104 VanDerWaalsContact CZ3-CE2 3.45Å; W3-F104 HydrophobicContact CZ3-CZ 4.33Å; W3-K107 HydrophobicContact CD2-CD 3.95Å; W3-K107 VanDerWaalsContact CD2-CE 3.41Å; W3-K107 HydrophobicContact CE3-CD 4.06Å; W3-K107 HydrophobicContact CH2-CB 4.24Å; W3-K107 HydrophobicContact CH2-CD 3.81Å; W3-K107 HydrophobicContact CH2-CG 4.04Å; W3-K107 HydrophobicContact CZ2-CB 4.37Å; W3-K107 HydrophobicContact CZ2-CD 3.68Å; W3-K107 HydrophobicContact CZ2-CG 3.75Å; W3-K107 HydrophobicContact CZ3-CD 3.99Å; W3-V108 HydrophobicContact CH2-CG2 3.75Å; W3-V108 HydrophobicContact CZ2-CG2 4.02Å
4R91.6Very high90.2Very high154 Ų15492 Ų9258%0.58143%0.432SS*.Hα-helixtrans-53.1-45.4178.761.9178.7176.1145-1.4113.7Q2 F8Q2-R4 VanDerWaalsContact C-N 3.33Å; Q2-R4 HydrophobicContact CB-CG 4.21Å; Q2-R4 PolarHBondContact O-N 2.93Å; Q2-R4 VanDerWaalsContact OE1-NH2 3.09Å; R4-F8 WeakPolarHBondContact O-CB 3.24Å; R4-F8 PolarHBondContact O-N 2.66Å
5Y91.3Very high90.5Very high102 Ų10288.9 Ų88.940%0.443%0.429SS..Hα-helixtrans-70.3-36.2179.6-63.4-68.5000111.9Q2 W3 F8 F9Q2-Y5 HydrophobicContact CB-CD2 4.01Å; Q2-Y5 HydrophobicContact CB-CE2 4.43Å; Q2-Y5 PolarHBondContact O-N 3.37Å; W3-Y5 VanDerWaalsContact C-N 3.32Å; W3-Y5 PolarHBondContact O-N 2.76Å; Y5-F8 PolarHBondContact O-N 3.16Å; Y5-F9 WeakPolarHBondContact O-CD2 3.33Å; Y5-F9 WeakPolarHBondContact O-CG 3.49Å; Y5-F9 PolarHBondContact O-N 2.79Å
6K89.6Confident90.8Very high40 Ų4085.8 Ų85.817%0.17443%0.427CS..Hα-helixtrans-64.8-47.8176.5-75.3-160.9168.6-155.60112M1 Q2 W3 F8 F9 F10 T103 K107M1-K6 HydrophobicContact CB-CG 4.31Å; Q2-K6 PolarHBondContact O-N 2.64Å; W3-K6 PolarHBondContact O-N 3.03Å; K6-F8 VanDerWaalsContact C-N 3.31Å; K6-F8 PolarHBondContact O-N 2.87Å; K6-F9 PolarHBondContact O-N 2.77Å; K6-F10 HydrophobicContact CB-CD2 4.48Å; K6-F10 HydrophobicContact CB-CE2 4.06Å; K6-F10 HydrophobicContact CB-CZ 4.46Å; K6-F10 HydrophobicContact CD-CZ 4.5Å; K6-F10 WeakPolarHBondContact O-CB 3.36Å; K6-F10 WeakPolarHBondContact O-CD2 3.26Å; K6-F10 WeakPolarHBondContact O-CG 3.41Å; K6-F10 PolarHBondContact O-N 3.48Å; K6-T103 PolarHBondContact NZ-O 3.04Å; K6-K107 HydrophobicContact CD-CD 3.48Å; K6-K107 VanDerWaalsContact CD-CD 3.48Å
7F91.1Very high91.1Very high105 Ų10581.8 Ų81.846%0.46141%0.409SS..Hα-helixtrans-60.1-44.3176-74.9-62000111.2W3 F9 F10 S11 F104W3-F7 HydrophobicContact CB-CD2 4.29Å; W3-F7 HydrophobicContact CB-CE2 4.14Å; W3-F7 HydrophobicContact CD2-CE2 4.27Å; W3-F7 HydrophobicContact CE3-CD2 4.29Å; W3-F7 AromaticContact CE3-CE2 3.61Å; W3-F7 HydrophobicContact CE3-CE2 3.61Å; W3-F7 AromaticContact CE3-CZ 3.9Å; W3-F7 HydrophobicContact CE3-CZ 3.9Å; W3-F7 HydrophobicContact CZ3-CE2 4.35Å; W3-F7 HydrophobicContact CZ3-CZ 4.17Å; W3-F7 VanDerWaalsContact O-CD2 3.23Å; W3-F7 WeakPolarHBondContact O-CD2 3.47Å; W3-F7 PolarHBondContact O-N 3.32Å; F7-F9 PolarHBondContact O-N 3.39Å; F7-F10 PolarHBondContact O-N 3.14Å; F7-S11 WeakPolarHBondContact O-CB 3.39Å; F7-S11 PolarHBondContact O-N 3.42Å; F7-S11 PolarHBondContact O-OG 3.25Å; F7-S11 VanDerWaalsContact O-OG 3.12Å; F7-F104 HydrophobicContact CE1-CE2 4.31Å; F7-F104 HydrophobicContact CZ-CE2 4.24Å
8F93.1Very high91.4Very high136 Ų13680.6 Ų80.660%0.59640%0.398SS*.Hα-helixtrans-57-51.3175.2179.2-96.9000112.3R4 Y5 K6 F10 S11 A12R4-F8 WeakPolarHBondContact O-CB 3.24Å; R4-F8 PolarHBondContact O-N 2.66Å; Y5-F8 PolarHBondContact O-N 3.16Å; K6-F8 VanDerWaalsContact C-N 3.31Å; K6-F8 PolarHBondContact O-N 2.87Å; F8-F10 PolarHBondContact O-N 3.17Å; F8-S11 PolarHBondContact O-N 2.62Å; F8-A12 WeakPolarHBondContact O-CB 3.2Å; F8-A12 PolarHBondContact O-N 3.24Å
9F91.9Very high91.7Very high105 Ų10582.4 Ų82.446%0.46140%0.404SS..Hα-helixtrans-63.1-41.1179-75-58.4000112.4M1 Y5 K6 F7 A12 T13M1-F9 HydrophobicContact CE-CE2 4.29Å; M1-F9 HydrophobicContact SD-CD2 4.17Å; M1-F9 HydrophobicContact SD-CE2 3.96Å; Y5-F9 WeakPolarHBondContact O-CD2 3.33Å; Y5-F9 WeakPolarHBondContact O-CG 3.49Å; Y5-F9 PolarHBondContact O-N 2.79Å; K6-F9 PolarHBondContact O-N 2.77Å; F7-F9 PolarHBondContact O-N 3.39Å; F9-A12 PolarHBondContact O-N 2.85Å; F9-T13 WeakPolarHBondContact O-CB 3.44Å; F9-T13 PolarHBondContact O-N 3.26Å; F9-T13 PolarHBondContact O-OG1 3.43Å
10F91.6Very high92Very high35 Ų3583.4 Ų83.415%0.15441%0.41CS..Hα-helixtrans-63.2-49176.9-62.8-30.5000111.9K6 F7 F8 A12 T13 F14 I100 T103K6-F10 HydrophobicContact CB-CD2 4.48Å; K6-F10 HydrophobicContact CB-CE2 4.06Å; K6-F10 HydrophobicContact CB-CZ 4.46Å; K6-F10 HydrophobicContact CD-CZ 4.5Å; K6-F10 WeakPolarHBondContact O-CB 3.36Å; K6-F10 WeakPolarHBondContact O-CD2 3.26Å; K6-F10 WeakPolarHBondContact O-CG 3.41Å; K6-F10 PolarHBondContact O-N 3.48Å; F7-F10 PolarHBondContact O-N 3.14Å; F8-F10 PolarHBondContact O-N 3.17Å; F10-A12 VanDerWaalsContact C-N 3.32Å; F10-A12 PolarHBondContact O-N 2.91Å; F10-T13 PolarHBondContact O-N 3.48Å; F10-F14 WeakPolarHBondContact O-CD2 3.34Å; F10-F14 PolarHBondContact O-N 3.09Å; F10-I100 HydrophobicContact CB-CG2 4.46Å; F10-I100 HydrophobicContact CD1-CB 4.42Å; F10-I100 HydrophobicContact CD1-CD1 4.4Å; F10-I100 HydrophobicContact CD1-CG1 3.89Å; F10-I100 HydrophobicContact CD1-CG2 3.96Å; F10-I100 HydrophobicContact CD2-CG2 4.14Å; F10-I100 HydrophobicContact CE1-CB 4.45Å; F10-I100 HydrophobicContact CE1-CG1 4.16Å; F10-I100 HydrophobicContact CE1-CG2 4.15Å; F10-I100 HydrophobicContact CE2-CG2 4.32Å; F10-I100 HydrophobicContact CG-CG2 3.95Å; F10-I100 HydrophobicContact CZ-CG2 4.33Å; F10-T103 VanDerWaalsContact CZ-OG1 3.3Å; F10-T103 WeakPolarHBondContact CZ-OG1 3.49Å
11S92.6Very high92.2Very high76 Ų7679.8 Ų79.853%0.53139%0.393SS..Hα-helixtrans-61.6-40.3176.6-63.20000112.1F7 F8 F14 A15F7-S11 WeakPolarHBondContact O-CB 3.39Å; F7-S11 PolarHBondContact O-N 3.42Å; F7-S11 PolarHBondContact O-OG 3.25Å; F7-S11 VanDerWaalsContact O-OG 3.12Å; F8-S11 PolarHBondContact O-N 2.62Å; S11-F14 PolarHBondContact O-N 3.24Å; S11-A15 WeakPolarHBondContact O-CB 3.23Å; S11-A15 PolarHBondContact O-N 2.9Å
12A94.1Very high93.2Very high46 Ų4672.2 Ų72.238%0.3836%0.355SS..Hα-helixtrans-65.4-39.8176.800000112.3F8 F9 F10 G16F8-A12 WeakPolarHBondContact O-CB 3.2Å; F8-A12 PolarHBondContact O-N 3.24Å; F9-A12 PolarHBondContact O-N 2.85Å; F10-A12 VanDerWaalsContact C-N 3.32Å; F10-A12 PolarHBondContact O-N 2.91Å; A12-G16 PolarHBondContact O-N 2.84Å
13T92.8Very high93.7Very high63 Ų6369 Ų6939%0.38734%0.343SS..Hα-helixtrans-64.1-44.3175.1-60.90000111.6F9 F10 T17 M96F9-T13 WeakPolarHBondContact O-CB 3.44Å; F9-T13 PolarHBondContact O-N 3.26Å; F9-T13 PolarHBondContact O-OG1 3.43Å; F10-T13 PolarHBondContact O-N 3.48Å; T13-T17 HydrophobicContact CG2-CG2 4.44Å; T13-T17 WeakPolarHBondContact O-CB 3.42Å; T13-T17 WeakPolarHBondContact O-CG2 3.46Å; T13-T17 PolarHBondContact O-N 3.29Å; T13-T17 PolarHBondContact O-OG1 3.27Å; T13-M96 HydrophobicContact CG2-SD 4.08Å
14F92.7Very high94.2Very high54 Ų5467.3 Ų67.324%0.23734%0.342CS..Hα-helixtrans-62.9-51.8175.6-75.7-61.5000111.7F10 S11 G16 T17 W18 I100F10-F14 WeakPolarHBondContact O-CD2 3.34Å; F10-F14 PolarHBondContact O-N 3.09Å; S11-F14 PolarHBondContact O-N 3.24Å; F14-G16 VanDerWaalsContact C-N 3.31Å; F14-G16 PolarHBondContact O-N 3.3Å; F14-T17 PolarHBondContact O-N 3.25Å; F14-T17 PolarHBondContact O-OG1 2.81Å; F14-W18 HydrophobicContact CB-CH2 4.09Å; F14-W18 HydrophobicContact CB-CZ2 3.81Å; F14-W18 HydrophobicContact CD1-CZ2 4.5Å; F14-W18 HydrophobicContact CG-CZ2 4.39Å; F14-W18 VanDerWaalsContact O-CD2 3.25Å; F14-W18 PolarHBondContact O-N 3.2Å; F14-I100 HydrophobicContact CD2-CD1 4.24Å; F14-I100 HydrophobicContact CE1-CD1 4.06Å; F14-I100 HydrophobicContact CE2-CD1 3.49Å; F14-I100 VanDerWaalsContact CE2-CD1 3.49Å; F14-I100 HydrophobicContact CE2-CG2 4.42Å; F14-I100 HydrophobicContact CZ-CD1 3.39Å
15A94.6Very high94.4Very high46 Ų4660.1 Ų60.138%0.3831%0.314SS..Hα-helixtrans-59.8-41.1178.200000112.5S11 W18 F19S11-A15 WeakPolarHBondContact O-CB 3.23Å; S11-A15 PolarHBondContact O-N 2.9Å; A15-W18 HydrophobicContact CB-CE3 4.46Å; A15-F19 WeakPolarHBondContact O-CB 3.48Å; A15-F19 PolarHBondContact O-N 3.45Å
16G95.3Very high94.7Very high39 Ų3958.7 Ų58.740%0.40231%0.309SS..Hα-helixtrans-66.2-37.4178.100000113.1A12 F14 F19 L20A12-G16 PolarHBondContact O-N 2.84Å; F14-G16 VanDerWaalsContact C-N 3.31Å; F14-G16 PolarHBondContact O-N 3.3Å; G16-F19 PolarHBondContact O-N 3.06Å; G16-L20 VanDerWaalsContact O-CB 3.32Å; G16-L20 WeakPolarHBondContact O-CB 3.31Å; G16-L20 PolarHBondContact O-N 3.46Å
17T95.4Very high94.9Very high18 Ų1860.7 Ų60.711%0.1132%0.321CS..Hα-helixtrans-74.3-41.4178.251.60000111.9T13 F14 F19 L20 F21 Q65 M96T13-T17 HydrophobicContact CG2-CG2 4.44Å; T13-T17 WeakPolarHBondContact O-CB 3.42Å; T13-T17 WeakPolarHBondContact O-CG2 3.46Å; T13-T17 PolarHBondContact O-N 3.29Å; T13-T17 PolarHBondContact O-OG1 3.27Å; F14-T17 PolarHBondContact O-N 3.25Å; F14-T17 PolarHBondContact O-OG1 2.81Å; T17-F19 VanDerWaalsContact C-N 3.26Å; T17-F19 PolarHBondContact O-N 2.9Å; T17-L20 PolarHBondContact O-N 3.02Å; T17-F21 WeakPolarHBondContact O-CD2 3.49Å; T17-F21 PolarHBondContact O-N 3.25Å; T17-Q65 PolarHBondContact OG1-NE2 3.46Å; T17-M96 HydrophobicContact CG2-CE 3.4Å; T17-M96 HydrophobicContact CG2-SD 3.56Å; T17-M96 VanDerWaalsContact CG2-SD 3.56Å
18W96.4Very high95.1Very high60 Ų6056.9 Ų56.923%0.22731%0.306CS..Hα-helixtrans-57.1-41.7170.5-58.7-28.2000111.9F14 A15 G22 F58 S61 L62 T66F14-W18 HydrophobicContact CB-CH2 4.09Å; F14-W18 HydrophobicContact CB-CZ2 3.81Å; F14-W18 HydrophobicContact CD1-CZ2 4.5Å; F14-W18 HydrophobicContact CG-CZ2 4.39Å; F14-W18 VanDerWaalsContact O-CD2 3.25Å; F14-W18 PolarHBondContact O-N 3.2Å; A15-W18 HydrophobicContact CB-CE3 4.46Å; W18-G22 PolarHBondContact O-N 2.73Å; W18-F58 HydrophobicContact CB-CD2 4.3Å; W18-F58 HydrophobicContact CB-CE2 3.66Å; W18-F58 HydrophobicContact CB-CZ 4.37Å; W18-F58 HydrophobicContact CE3-CZ 4.49Å; W18-S61 WeakPolarHBondContact O-CB 3.15Å; W18-S61 PolarHBondContact O-OG 2.87Å; W18-S61 VanDerWaalsContact O-OG 3.04Å; W18-L62 HydrophobicContact CD2-CD1 4.27Å; W18-L62 HydrophobicContact CD2-CG 4.19Å; W18-L62 HydrophobicContact CE3-CD1 3.97Å; W18-L62 HydrophobicContact CE3-CG 4.39Å; W18-L62 HydrophobicContact CG-CB 4.38Å; W18-L62 HydrophobicContact CG-CG 4.48Å; W18-L62 HydrophobicContact CZ3-CD1 4.24Å; W18-T66 HydrophobicContact CZ2-CG2 3.69Å
19F97.1Very high95.1Very high115 Ų11550.6 Ų50.650%0.50428%0.279SS..Hα-helixtrans-69.1-45.9177.4-174.8-100.6000112.3A15 G16 T17 F21 G22 V23A15-F19 WeakPolarHBondContact O-CB 3.48Å; A15-F19 PolarHBondContact O-N 3.45Å; G16-F19 PolarHBondContact O-N 3.06Å; T17-F19 VanDerWaalsContact C-N 3.26Å; T17-F19 PolarHBondContact O-N 2.9Å; F19-F21 PolarHBondContact O-N 3.29Å; F19-G22 PolarHBondContact O-N 3.31Å; F19-V23 HydrophobicContact CD1-CG2 4.28Å; F19-V23 HydrophobicContact CE1-CG2 3.84Å; F19-V23 HydrophobicContact CE2-CG2 4.43Å; F19-V23 HydrophobicContact CZ-CG2 3.93Å; F19-V23 WeakPolarHBondContact O-CG2 3.28Å; F19-V23 PolarHBondContact O-N 2.86Å
20L97.1Very high95.1Very high101 Ų10149.1 Ų49.153%0.52928%0.276SS..Hα-helixtrans-58.5-50.7179.2178.866.5000111.6G16 T17 G22 V23 L24G16-L20 VanDerWaalsContact O-CB 3.32Å; G16-L20 WeakPolarHBondContact O-CB 3.31Å; G16-L20 PolarHBondContact O-N 3.46Å; T17-L20 PolarHBondContact O-N 3.02Å; L20-G22 VanDerWaalsContact C-N 3.34Å; L20-V23 PolarHBondContact O-N 3.48Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 2.8Å
21F97.3Very high95.1Very high9 Ų953.4 Ų53.44%0.03931%0.305CS..Hα-helixtrans-67.9-35176.6-82.2-77000111.7T17 F19 V23 L24 W25 S61 L85 Q89 I92T17-F21 WeakPolarHBondContact O-CD2 3.49Å; T17-F21 PolarHBondContact O-N 3.25Å; F19-F21 PolarHBondContact O-N 3.29Å; F21-V23 VanDerWaalsContact C-N 3.29Å; F21-V23 PolarHBondContact O-N 3.07Å; F21-L24 HydrophobicContact CD1-CD1 3.97Å; F21-L24 HydrophobicContact CE1-CD1 4.18Å; F21-L24 WeakPolarHBondContact O-CB 3.42Å; F21-L24 PolarHBondContact O-N 2.77Å; F21-L24 VanDerWaalsContact O-N 3.09Å; F21-W25 PolarHBondContact O-N 2.86Å; F21-S61 WeakPolarHBondContact CB-OG 3.34Å; F21-L85 HydrophobicContact CD1-CD1 4.05Å; F21-L85 HydrophobicContact CE1-CD1 4.03Å; F21-Q89 HydrophobicContact CB-CG 4.35Å; F21-Q89 HydrophobicContact CD1-CB 3.69Å; F21-Q89 HydrophobicContact CD1-CG 3.71Å; F21-Q89 HydrophobicContact CD2-CG 3.92Å; F21-Q89 HydrophobicContact CE1-CB 3.5Å; F21-Q89 HydrophobicContact CE1-CG 3.89Å; F21-Q89 HydrophobicContact CE2-CB 4.43Å; F21-Q89 HydrophobicContact CE2-CG 4.09Å; F21-Q89 HydrophobicContact CG-CB 4.24Å; F21-Q89 HydrophobicContact CG-CG 3.73Å; F21-Q89 HydrophobicContact CZ-CB 3.91Å; F21-Q89 HydrophobicContact CZ-CG 4.08Å; F21-I92 HydrophobicContact CZ-CD1 4.13Å
22G97.3Very high95Very high1 Ų153.3 Ų53.31%0.0130%0.296CS..Hα-helixtrans-56.7-40.617100000113.1W18 F19 L20 Y26 A57 S61W18-G22 PolarHBondContact O-N 2.73Å; F19-G22 PolarHBondContact O-N 3.31Å; L20-G22 VanDerWaalsContact C-N 3.34Å; G22-Y26 WeakPolarHBondContact O-CB 3.23Å; G22-Y26 PolarHBondContact O-N 3.47Å; G22-A57 VanDerWaalsContact O-CB 3.28Å; G22-A57 WeakPolarHBondContact O-CB 3.35Å; G22-S61 PolarHBondContact N-OG 2.99Å
23V97.8Very high94.7Very high45 Ų4552.1 Ų52.127%0.27329%0.287SS..Hα-helixtrans-66.5-42.71731730000111F19 L20 F21 W25 Y26 L27 L54F19-V23 HydrophobicContact CD1-CG2 4.28Å; F19-V23 HydrophobicContact CE1-CG2 3.84Å; F19-V23 HydrophobicContact CE2-CG2 4.43Å; F19-V23 HydrophobicContact CZ-CG2 3.93Å; F19-V23 WeakPolarHBondContact O-CG2 3.28Å; F19-V23 PolarHBondContact O-N 2.86Å; L20-V23 PolarHBondContact O-N 3.48Å; F21-V23 VanDerWaalsContact C-N 3.29Å; F21-V23 PolarHBondContact O-N 3.07Å; V23-W25 PolarHBondContact O-N 3.42Å; V23-Y26 WeakPolarHBondContact O-CB 3.43Å; V23-Y26 PolarHBondContact O-N 2.65Å; V23-L27 HydrophobicContact CG1-CD1 4.19Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 2.89Å; V23-L54 HydrophobicContact CG2-CD1 4.24Å
24L97.4Very high94.4Very high64 Ų6450.3 Ų50.334%0.33528%0.275SS..Hα-helixtrans-61.8-42.7176.6-65.4174.8000112L20 F21 L27 V28 L85L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 2.8Å; F21-L24 HydrophobicContact CD1-CD1 3.97Å; F21-L24 HydrophobicContact CE1-CD1 4.18Å; F21-L24 WeakPolarHBondContact O-CB 3.42Å; F21-L24 PolarHBondContact O-N 2.77Å; F21-L24 VanDerWaalsContact O-N 3.09Å; L24-L27 PolarHBondContact O-N 2.89Å; L24-V28 WeakPolarHBondContact O-CG2 3.43Å; L24-V28 PolarHBondContact O-N 2.95Å; L24-L85 HydrophobicContact CB-CD1 4.13Å; L24-L85 HydrophobicContact CB-CD2 4.01Å; L24-L85 HydrophobicContact CD1-CD1 3.98Å
25W97.1Very high94Very high3 Ų349.5 Ų49.51%0.01127%0.273CS..Hα-helixtrans-62.8-41.9174.3-76.8117.5000112.3F21 V23 L27 V28 A29 V48 A57 F60 I75 A82 L85 L86F21-W25 PolarHBondContact O-N 2.86Å; V23-W25 PolarHBondContact O-N 3.42Å; W25-L27 VanDerWaalsContact C-N 3.31Å; W25-L27 PolarHBondContact O-N 2.82Å; W25-V28 PolarHBondContact O-N 3.34Å; W25-A29 PolarHBondContact O-N 3.13Å; W25-V48 HydrophobicContact CE3-CG2 3.78Å; W25-V48 HydrophobicContact CZ3-CG2 3.62Å; W25-A57 HydrophobicContact CB-CB 4.16Å; W25-F60 AromaticContact CD2-CD1 3.75Å; W25-F60 HydrophobicContact CD2-CD1 3.75Å; W25-F60 AromaticContact CD2-CE1 3.66Å; W25-F60 HydrophobicContact CD2-CE1 3.66Å; W25-F60 AromaticContact CE2-CD1 3.88Å; W25-F60 AromaticContact CE2-CE1 3.54Å; W25-F60 HydrophobicContact CE3-CD1 4.18Å; W25-F60 AromaticContact CE3-CE1 3.82Å; W25-F60 HydrophobicContact CE3-CE1 3.82Å; W25-F60 AromaticContact CG-CD1 3.92Å; W25-F60 HydrophobicContact CG-CD1 3.92Å; W25-F60 HydrophobicContact CG-CE1 4.32Å; W25-F60 AromaticContact CH2-CE1 3.77Å; W25-F60 HydrophobicContact CH2-CE1 3.77Å; W25-F60 HydrophobicContact CH2-CZ 4.49Å; W25-F60 HydrophobicContact CZ2-CD1 4.42Å; W25-F60 AromaticContact CZ2-CE1 3.63Å; W25-F60 HydrophobicContact CZ2-CE1 3.63Å; W25-F60 HydrophobicContact CZ2-CZ 4.5Å; W25-F60 AromaticContact CZ3-CE1 3.86Å; W25-F60 HydrophobicContact CZ3-CE1 3.86Å; W25-I75 HydrophobicContact CH2-CD1 4.1Å; W25-A82 HydrophobicContact CH2-CB 4.21Å; W25-A82 WeakPolarHBondContact CH2-O 3.49Å; W25-A82 HydrophobicContact CZ3-CB 3.72Å; W25-L85 HydrophobicContact CD2-CD2 3.69Å; W25-L85 HydrophobicContact CD2-CG 4.44Å; W25-L85 HydrophobicContact CE3-CD2 3.84Å; W25-L85 HydrophobicContact CG-CD2 4.21Å; W25-L85 HydrophobicContact CH2-CB 4.24Å; W25-L85 HydrophobicContact CH2-CD2 4.24Å; W25-L85 HydrophobicContact CH2-CG 4.3Å; W25-L85 HydrophobicContact CZ2-CB 4.3Å; W25-L85 HydrophobicContact CZ2-CD2 4.09Å; W25-L85 HydrophobicContact CZ2-CG 3.97Å; W25-L85 HydrophobicContact CZ3-CD2 4.12Å; W25-L86 HydrophobicContact CH2-CB 4.03Å; W25-L86 HydrophobicContact CZ2-CB 3.95Å; W25-L86 HydrophobicContact CZ2-CD1 4.34Å
26Y95.9Very high92.8Very high71 Ų7154 Ų5428%0.27829%0.29SS..Hα-helixtrans-62.8-38.9174.7-173.8-102.7000111.9G22 V23 A29 L30 L35 L54 A57G22-Y26 WeakPolarHBondContact O-CB 3.23Å; G22-Y26 PolarHBondContact O-N 3.47Å; V23-Y26 WeakPolarHBondContact O-CB 3.43Å; V23-Y26 PolarHBondContact O-N 2.65Å; Y26-A29 PolarHBondContact O-N 3.29Å; Y26-L30 HydrophobicContact CE1-CD1 4.4Å; Y26-L30 WeakPolarHBondContact O-CB 3.32Å; Y26-L30 PolarHBondContact O-N 3.23Å; Y26-L35 HydrophobicContact CD1-CD1 4.47Å; Y26-L35 HydrophobicContact CD2-CD1 3.78Å; Y26-L35 HydrophobicContact CD2-CD2 4.27Å; Y26-L35 HydrophobicContact CE1-CD1 4.09Å; Y26-L35 HydrophobicContact CE2-CD1 3.32Å; Y26-L35 HydrophobicContact CE2-CD2 3.78Å; Y26-L35 HydrophobicContact CE2-CG 4.23Å; Y26-L35 HydrophobicContact CG-CD1 4.33Å; Y26-L35 VanDerWaalsContact CZ-CD1 3.49Å; Y26-L54 HydrophobicContact CD1-CD1 4.26Å; Y26-L54 HydrophobicContact CD2-CB 4.13Å; Y26-L54 HydrophobicContact CD2-CD1 4.34Å; Y26-L54 HydrophobicContact CE2-CB 4.24Å; Y26-L54 HydrophobicContact CG-CB 4.46Å; Y26-L54 HydrophobicContact CG-CD1 3.89Å; Y26-A57 HydrophobicContact CD2-CB 4.36Å
27L95.3Very high91.3Very high82 Ų8256.9 Ų56.943%0.42929%0.294SS..Hα-helixtrans-67.1-39175.4-71.1173.7000112.4V23 L24 W25 L30 V31V23-L27 HydrophobicContact CG1-CD1 4.19Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 2.89Å; L24-L27 PolarHBondContact O-N 2.89Å; W25-L27 VanDerWaalsContact C-N 3.31Å; W25-L27 PolarHBondContact O-N 2.82Å; L27-L30 PolarHBondContact O-N 3.4Å; L27-V31 WeakPolarHBondContact O-CB 3.14Å; L27-V31 VanDerWaalsContact O-CG2 3.3Å; L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.88Å
28V94.8Very high89.6Confident25 Ų2566.3 Ų66.315%0.15233%0.333CS..Hα-helixtrans-59.9-48.4173.3170.50000110.1L24 W25 L30 V31 H32 C47 V81 A82 L85L24-V28 WeakPolarHBondContact O-CG2 3.43Å; L24-V28 PolarHBondContact O-N 2.95Å; W25-V28 PolarHBondContact O-N 3.34Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 2.8Å; V28-V31 PolarHBondContact O-N 2.8Å; V28-H32 VanDerWaalsContact O-CB 3.29Å; V28-H32 WeakPolarHBondContact O-CB 3.4Å; V28-H32 PolarHBondContact O-N 3.34Å; V28-C47 HydrophobicContact CG1-CB 4.14Å; V28-V81 HydrophobicContact CG2-CG1 4.39Å; V28-A82 HydrophobicContact CG1-CB 4.45Å; V28-L85 HydrophobicContact CG2-CD2 3.87Å
29A92.7Very high87.9Confident4 Ų470.8 Ų70.83%0.03336%0.362CS..Hα-helixtrans-61.2-39.6176.500000112.2W25 Y26 G33 D34 L35 V51W25-A29 PolarHBondContact O-N 3.13Å; Y26-A29 PolarHBondContact O-N 3.29Å; A29-G33 PolarHBondContact O-N 2.83Å; A29-G33 VanDerWaalsContact O-N 3.12Å; A29-D34 HydrophobicContact CB-CB 4.03Å; A29-D34 WeakPolarHBondContact O-CB 3.48Å; A29-D34 PolarHBondContact O-N 3.37Å; A29-L35 HydrophobicContact CB-CD1 4.19Å; A29-L35 HydrophobicContact CB-CD2 4.39Å; A29-L35 HydrophobicContact CB-CG 3.96Å; A29-V51 HydrophobicContact CB-CG1 4.3Å
30L91.6Very high86.4Confident75 Ų7568.6 Ų68.639%0.39336%0.359SS..Hα-helixtrans-65.6-47.5177.5-169.5102.8000112.4Y26 L27 V28 H32 G33 L35Y26-L30 HydrophobicContact CE1-CD1 4.4Å; Y26-L30 WeakPolarHBondContact O-CB 3.32Å; Y26-L30 PolarHBondContact O-N 3.23Å; L27-L30 PolarHBondContact O-N 3.4Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 2.8Å; L30-H32 VanDerWaalsContact C-N 3.34Å; L30-G33 PolarHBondContact O-N 2.94Å; L30-L35 HydrophobicContact CB-CD1 3.77Å; L30-L35 HydrophobicContact CD1-CD1 3.86Å; L30-L35 HydrophobicContact CG-CD1 4.4Å
31V91.8Very high85.1Confident125 Ų12567.3 Ų67.376%0.75836%0.357SS*.Hα-helixtrans-69.6-34.7-177.9171.30000111.2L27 V28 G33L27-V31 WeakPolarHBondContact O-CB 3.14Å; L27-V31 VanDerWaalsContact O-CG2 3.3Å; L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.88Å; V28-V31 PolarHBondContact O-N 2.8Å; V31-G33 VanDerWaalsContact C-N 3.3Å
32H90.1Very high83.8Confident74 Ų7473 Ų7334%0.34340%0.398SS..Hα-helixtrans-74.3-20.9176-167.4-106.7000113.2V28 L30 D34 H44 T45 C47 C79V28-H32 VanDerWaalsContact O-CB 3.29Å; V28-H32 WeakPolarHBondContact O-CB 3.4Å; V28-H32 PolarHBondContact O-N 3.34Å; L30-H32 VanDerWaalsContact C-N 3.34Å; H32-D34 IonicContact CE1-OD1 2.67Å; H32-D34 IonicContact CG-OD1 3.59Å; H32-D34 IonicContact ND1-OD1 3.66Å; H32-D34 PolarHBondContact ND1-OD1 3Å; H32-D34 IonicContact ND1-OD2 2.73Å; H32-H44 AromaticContact CE1-CE1 3.55Å; H32-H44 AromaticContact ND1-CE1 3.59Å; H32-H44 AromaticContact ND1-NE2 3.84Å; H32-T45 PolarHBondContact CE1-O 2.88Å; H32-C47 VanDerWaalsContact CD2-SG 3.6Å; H32-C79 VanDerWaalsContact CD2-SG 3.57Å
33G88.1Confident82.8Confident20 Ų2080.5 Ų80.521%0.20644%0.438CS..THydrogen-bonded Turntrans95.73.7-178.400000114.6A29 L30 V31 L35 L36A29-G33 PolarHBondContact O-N 2.83Å; A29-G33 VanDerWaalsContact O-N 3.12Å; L30-G33 PolarHBondContact O-N 2.94Å; V31-G33 VanDerWaalsContact C-N 3.3Å; G33-L35 PolarHBondContact O-N 2.85Å; G33-L36 PolarHBondContact O-N 2.76Å; G33-L36 VanDerWaalsContact O-N 3.15Å
34D86.6Confident82.1Confident25 Ų2581 Ų8113%0.13444%0.437CS..THydrogen-bonded Turntrans-61.4-18.1-177.6-62.9-17.2000114A29 H32 H44 P46 C47A29-D34 HydrophobicContact CB-CB 4.03Å; A29-D34 WeakPolarHBondContact O-CB 3.48Å; A29-D34 PolarHBondContact O-N 3.37Å; H32-D34 IonicContact CE1-OD1 2.67Å; H32-D34 IonicContact CG-OD1 3.59Å; H32-D34 IonicContact ND1-OD1 3.66Å; H32-D34 PolarHBondContact ND1-OD1 3Å; H32-D34 IonicContact ND1-OD2 2.73Å; D34-H44 IonicContact OD1-CD2 3.55Å; D34-H44 IonicContact OD1-CE1 2.81Å; D34-H44 IonicContact OD1-NE2 3.73Å; D34-H44 PolarHBondContact OD1-NE2 3.35Å; D34-P46 HydrophobicContact CB-CB 4.26Å; D34-P46 WeakPolarHBondContact OD1-CA 3.42Å; D34-C47 PolarHBondContact OD2-N 2.77Å
35L84.1Confident81.6Confident37 Ų3781 Ų8119%0.19444%0.44CS..THydrogen-bonded Turntrans-96-16.9-178-66172000114.1Y26 A29 L30 G33 V51 K52Y26-L35 HydrophobicContact CD1-CD1 4.47Å; Y26-L35 HydrophobicContact CD2-CD1 3.78Å; Y26-L35 HydrophobicContact CD2-CD2 4.27Å; Y26-L35 HydrophobicContact CE1-CD1 4.09Å; Y26-L35 HydrophobicContact CE2-CD1 3.32Å; Y26-L35 HydrophobicContact CE2-CD2 3.78Å; Y26-L35 HydrophobicContact CE2-CG 4.23Å; Y26-L35 HydrophobicContact CG-CD1 4.33Å; Y26-L35 VanDerWaalsContact CZ-CD1 3.49Å; A29-L35 HydrophobicContact CB-CD1 4.19Å; A29-L35 HydrophobicContact CB-CD2 4.39Å; A29-L35 HydrophobicContact CB-CG 3.96Å; L30-L35 HydrophobicContact CB-CD1 3.77Å; L30-L35 HydrophobicContact CD1-CD1 3.86Å; L30-L35 HydrophobicContact CG-CD1 4.4Å; G33-L35 PolarHBondContact O-N 2.85Å; L35-V51 WeakPolarHBondContact CD2-O 3.1Å; L35-K52 WeakPolarHBondContact CD2-O 3.49Å
36L70.6Confident81.3Confident141 Ų14182.2 Ų82.274%0.73845%0.448SS*.THydrogen-bonded Turntrans-91.4-13.3-165.9-70170.6000113.7G33G33-L36 PolarHBondContact O-N 2.76Å; G33-L36 VanDerWaalsContact O-N 3.15Å
37E62.3Low81.2Confident100 Ų10079 Ų7947%0.46744%0.436SS..  trans-121.9115.4-175.5-67.5-179.4163.600111.3D39 P41E37-D39 VanDerWaalsContact C-N 3.28Å; E37-P41 WeakPolarHBondContact OE2-CD 3.28Å
38F59.6Low81.1Confident216 Ų21675.6 Ų75.695%0.94742%0.418SS*.SBendtrans-72-24.4172.8-107-92.1000112.3
39D61.8Low81Confident153 Ų15377.9 Ų77.982%0.81843%0.428SS*.SBendtrans-127.286.5170.6-92.4-34.5000108.2E37E37-D39 VanDerWaalsContact C-N 3.28Å
40P66.3Low80.8Confident70 Ų7081 Ų8146%0.45544%0.442SS..  trans-60.9142.7175.622.8-30.7000110.2H44P40-H44 HydrophobicContact CB-CB 4.12Å
41P68.9Low80.8Confident74 Ų7477.8 Ų77.848%0.48143%0.425SS..  trans-59.5150.7172.525.1-30.9000109.3E37 N43 H44E37-P41 WeakPolarHBondContact OE2-CD 3.28Å; P41-N43 PolarHBondContact O-N 2.79Å; P41-H44 HydrophobicContact CG-CB 4.09Å; P41-H44 PolarHBondContact O-N 3.49Å
42S69.1Low80.7Confident129 Ų12978.2 Ų78.290%0.90242%0.417SS*.THydrogen-bonded Turntrans-57.9-10.5-173.6-45.90000115.4
43N76.3Confident80.8Confident158 Ų15878.3 Ų78.385%0.84542%0.423SS*.THydrogen-bonded Turntrans-1043.5178.7-68.7-12.6000113.9P41P41-N43 PolarHBondContact O-N 2.79Å
44H83.7Confident81.1Confident55 Ų5580.8 Ų80.826%0.25543%0.431SS..  trans-95.1110.7177.2-173.175.9000110.6H32 D34 P40 P41H32-H44 AromaticContact CE1-CE1 3.55Å; H32-H44 AromaticContact ND1-CE1 3.59Å; H32-H44 AromaticContact ND1-NE2 3.84Å; D34-H44 IonicContact OD1-CD2 3.55Å; D34-H44 IonicContact OD1-CE1 2.81Å; D34-H44 IonicContact OD1-NE2 3.73Å; D34-H44 PolarHBondContact OD1-NE2 3.35Å; P40-H44 HydrophobicContact CB-CB 4.12Å; P41-H44 HydrophobicContact CG-CB 4.09Å; P41-H44 PolarHBondContact O-N 3.49Å
45T87.7Confident81.5Confident64 Ų6484 Ų8439%0.39345%0.452SS..  trans-100.6116.5174.837.60000108.7H32 E78H32-T45 PolarHBondContact CE1-O 2.88Å; T45-E78 WeakPolarHBondContact CB-OE1 3.15Å; T45-E78 WeakPolarHBondContact OG1-CG 3.42Å; T45-E78 PolarHBondContact OG1-OE1 2.84Å
46P90.9Very high82Confident29 Ų2982.5 Ų82.519%0.18845%0.445CS..  trans-73.4155.6-174.731.3-36.4000111.2D34 V48 M49 T76D34-P46 HydrophobicContact CB-CB 4.26Å; D34-P46 WeakPolarHBondContact OD1-CA 3.42Å; P46-V48 VanDerWaalsContact C-N 3.29Å; P46-V48 PolarHBondContact O-N 3.37Å; P46-M49 HydrophobicContact CG-CE 4.46Å; P46-M49 HydrophobicContact CG-SD 3.38Å; P46-M49 WeakPolarHBondContact CG-SD 3.43Å; P46-T76 WeakPolarHBondContact O-CB 3.42Å; P46-T76 WeakPolarHBondContact O-CG2 3.35Å; P46-T76 PolarHBondContact O-OG1 3.16Å
47C92.3Very high83.2Confident3 Ų375.8 Ų75.82%0.0241%0.41CS..SBendtrans-64.4-36.5176.9-61.60000112.3V28 H32 D34 T76 C79 A82V28-C47 HydrophobicContact CG1-CB 4.14Å; H32-C47 VanDerWaalsContact CD2-SG 3.6Å; D34-C47 PolarHBondContact OD2-N 2.77Å; C47-T76 PolarHBondContact O-N 3.45Å; C47-T76 PolarHBondContact O-OG1 3.41Å; C47-C79 WeakPolarHBondContact CA-SG 3.28Å; C47-C79 HydrophobicContact CB-CB 3.6Å; C47-C79 WeakPolarHBondContact CB-SG 3.28Å; C47-C79 WeakPolarHBondContact SG-CB 3.45Å; C47-C79 CovalentContact SG-SG 2.03Å; C47-C79 PolarHBondContact SG-SG 3.15Å; C47-A82 HydrophobicContact CB-CB 4.24Å
48V93.8Very high84.9Confident10 Ų1073.8 Ų73.86%0.06140%0.4CS..BIsolated β-bridgetrans-137.8122.9176.1-172.10000108.9W25 P46 V51 F60 C74W25-V48 HydrophobicContact CE3-CG2 3.78Å; W25-V48 HydrophobicContact CZ3-CG2 3.62Å; P46-V48 VanDerWaalsContact C-N 3.29Å; P46-V48 PolarHBondContact O-N 3.37Å; V48-V51 HydrophobicContact CB-CB 4.42Å; V48-V51 HydrophobicContact CB-CG2 3.81Å; V48-V51 HydrophobicContact CG1-CG2 3.48Å; V48-V51 VanDerWaalsContact CG1-CG2 3.48Å; V48-F60 HydrophobicContact CG1-CD1 3.94Å; V48-F60 HydrophobicContact CG1-CD2 3.89Å; V48-F60 HydrophobicContact CG1-CE1 3.81Å; V48-F60 HydrophobicContact CG1-CE2 3.76Å; V48-F60 HydrophobicContact CG1-CG 3.97Å; V48-F60 HydrophobicContact CG1-CZ 3.71Å; V48-F60 HydrophobicContact CG2-CD1 4.43Å; V48-F60 HydrophobicContact CG2-CE1 3.89Å; V48-F60 HydrophobicContact CG2-CZ 4.22Å; V48-C74 CarbonylContact C-O 3.56Å; V48-C74 WeakPolarHBondContact CA-O 3.16Å; V48-C74 WeakPolarHBondContact CG1-O 3.26Å
49M91.9Very high86.6Confident73 Ų7366.4 Ų66.436%0.3637%0.37SS..THydrogen-bonded Turntrans-62.3140.1178.8-59.8-60.8-68.200110.9P46 V51 R73 C74 T76P46-M49 HydrophobicContact CG-CE 4.46Å; P46-M49 HydrophobicContact CG-SD 3.38Å; P46-M49 WeakPolarHBondContact CG-SD 3.43Å; M49-V51 PolarHBondContact O-N 2.77Å; M49-R73 WeakPolarHBondContact O-CA 3.45Å; M49-C74 WeakPolarHBondContact CG-SG 3.37Å; M49-C74 PolarHBondContact N-O 3.33Å; M49-T76 HydrophobicContact CG-CG2 4Å; M49-T76 HydrophobicContact SD-CG2 4.02Å
50E90Very high88.3Confident69 Ų6959.5 Ų59.532%0.32233%0.333SS..THydrogen-bonded Turntrans61.823.4172.3-63.6-62.6130.500115.8K52 F72 R73E50-K52 PolarHBondContact O-N 2.85Å; E50-K52 IonicContact OE1-NZ 2.73Å; E50-K52 PolarHBondContact OE1-NZ 2.79Å; E50-K52 WeakPolarHBondContact OE2-CE 3.41Å; E50-K52 IonicContact OE2-NZ 2.78Å; E50-K52 PolarHBondContact OE2-NZ 2.62Å; E50-F72 HydrophobicContact CB-CD1 4.13Å; E50-F72 HydrophobicContact CB-CE1 3.65Å; E50-F72 HydrophobicContact CB-CZ 4.08Å; E50-F72 HydrophobicContact CG-CD1 4.44Å; E50-F72 HydrophobicContact CG-CE1 3.83Å; E50-F72 HydrophobicContact CG-CE2 4.23Å; E50-F72 HydrophobicContact CG-CZ 3.7Å; E50-R73 HydrophobicContact CB-CG 4.23Å
51V92Very high89.8Confident8 Ų856.1 Ų56.15%0.04831%0.311CS..  trans-93.575.9168.7-179.90000110.3A29 L35 V48 M49 A57 F60A29-V51 HydrophobicContact CB-CG1 4.3Å; L35-V51 WeakPolarHBondContact CD2-O 3.1Å; V48-V51 HydrophobicContact CB-CB 4.42Å; V48-V51 HydrophobicContact CB-CG2 3.81Å; V48-V51 HydrophobicContact CG1-CG2 3.48Å; V48-V51 VanDerWaalsContact CG1-CG2 3.48Å; M49-V51 PolarHBondContact O-N 2.77Å; V51-A57 HydrophobicContact CG1-CB 3.62Å; V51-F60 HydrophobicContact CG2-CB 4.21Å; V51-F60 HydrophobicContact CG2-CG 4.5Å
52K88.2Confident91.1Very high135 Ų13554.3 Ų54.359%0.58730%0.297SS*.  trans-93.4-17.1-176.8-65172.2178.4152.20114.3L35 E50L35-K52 WeakPolarHBondContact CD2-O 3.49Å; E50-K52 PolarHBondContact O-N 2.85Å; E50-K52 IonicContact OE1-NZ 2.73Å; E50-K52 PolarHBondContact OE1-NZ 2.79Å; E50-K52 WeakPolarHBondContact OE2-CE 3.41Å; E50-K52 IonicContact OE2-NZ 2.78Å; E50-K52 PolarHBondContact OE2-NZ 2.62Å
53T92.8Very high92.4Very high75 Ų7548.4 Ų48.446%0.4626%0.255SS..SBendtrans-142.4163.5-174.961.20000110.7T55 G56 A57T53-T55 PolarHBondContact O-N 3.01Å; T53-G56 WeakPolarHBondContact O-CA 3.36Å; T53-G56 PolarHBondContact O-N 3.19Å; T53-G56 PolarHBondContact OG1-N 3.26Å; T53-G56 VanDerWaalsContact OG1-N 3.09Å; T53-A57 PolarHBondContact O-N 3.23Å
54L94.6Very high93.2Very high72 Ų7241.9 Ų41.938%0.37722%0.222SC..Hα-helixtrans-56.4-37.6172.4-179.163.3000111.5V23 Y26 G56 A57 F58V23-L54 HydrophobicContact CG2-CD1 4.24Å; Y26-L54 HydrophobicContact CD1-CD1 4.26Å; Y26-L54 HydrophobicContact CD2-CB 4.13Å; Y26-L54 HydrophobicContact CD2-CD1 4.34Å; Y26-L54 HydrophobicContact CE2-CB 4.24Å; Y26-L54 HydrophobicContact CG-CB 4.46Å; Y26-L54 HydrophobicContact CG-CD1 3.89Å; L54-G56 VanDerWaalsContact C-N 3.34Å; L54-A57 PolarHBondContact O-N 3.09Å; L54-F58 WeakPolarHBondContact O-CB 3.28Å; L54-F58 PolarHBondContact O-N 3.33Å
55T95.2Very high93.8Very high93 Ų9339.4 Ų39.457%0.57121%0.21SC*.Hα-helixtrans-63.4-40.7174.2-50.60000111.5T53 F58 L59T53-T55 PolarHBondContact O-N 3.01Å; T55-F58 PolarHBondContact O-N 3.27Å; T55-L59 HydrophobicContact CG2-CD1 4.42Å; T55-L59 WeakPolarHBondContact O-CB 3.27Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.2Å; T55-L59 PolarHBondContact O-N 2.88Å
56G94.2Very high94.1Very high5 Ų538.4 Ų38.45%0.05220%0.204CC..Hα-helixtrans-62.1-43.1173.900000112.7T53 L54 L59 F60 R73T53-G56 WeakPolarHBondContact O-CA 3.36Å; T53-G56 PolarHBondContact O-N 3.19Å; T53-G56 PolarHBondContact OG1-N 3.26Å; T53-G56 VanDerWaalsContact OG1-N 3.09Å; L54-G56 VanDerWaalsContact C-N 3.34Å; G56-L59 PolarHBondContact O-N 3.46Å; G56-F60 PolarHBondContact O-N 3.37Å; G56-R73 WeakPolarHBondContact O-CD 3.36Å; G56-R73 PolarHBondContact O-NE 3.29Å
57A96.2Very high94.2Very high0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-66.6-39.8176.600000112.2G22 W25 Y26 V51 T53 L54 F60 S61G22-A57 VanDerWaalsContact O-CB 3.28Å; G22-A57 WeakPolarHBondContact O-CB 3.35Å; W25-A57 HydrophobicContact CB-CB 4.16Å; Y26-A57 HydrophobicContact CD2-CB 4.36Å; V51-A57 HydrophobicContact CG1-CB 3.62Å; T53-A57 PolarHBondContact O-N 3.23Å; L54-A57 PolarHBondContact O-N 3.09Å; A57-F60 PolarHBondContact O-N 2.95Å; A57-S61 WeakPolarHBondContact O-CB 3.48Å; A57-S61 PolarHBondContact O-N 2.76Å
58F97Very high94.4Very high59 Ų5946 Ų4626%0.25925%0.247SC..Hα-helixtrans-60.8-45.8172.4169.7-99.6000111.8W18 L54 T55 S61 L62W18-F58 HydrophobicContact CB-CD2 4.3Å; W18-F58 HydrophobicContact CB-CE2 3.66Å; W18-F58 HydrophobicContact CB-CZ 4.37Å; W18-F58 HydrophobicContact CE3-CZ 4.49Å; L54-F58 WeakPolarHBondContact O-CB 3.28Å; L54-F58 PolarHBondContact O-N 3.33Å; T55-F58 PolarHBondContact O-N 3.27Å; F58-S61 WeakPolarHBondContact O-CB 3.23Å; F58-S61 PolarHBondContact O-N 2.91Å; F58-L62 HydrophobicContact CE1-CD1 4.16Å; F58-L62 HydrophobicContact CZ-CD1 4.12Å; F58-L62 WeakPolarHBondContact O-CB 3.48Å; F58-L62 PolarHBondContact O-N 3.49Å
59L96.6Very high94.3Very high61 Ų6148.1 Ų48.132%0.31927%0.271SS..Hα-helixtrans-63.1-43.3177.3-72.3173.4000111.2T55 G56 S61 L62 E63T55-L59 HydrophobicContact CG2-CD1 4.42Å; T55-L59 WeakPolarHBondContact O-CB 3.27Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.2Å; T55-L59 PolarHBondContact O-N 2.88Å; G56-L59 PolarHBondContact O-N 3.46Å; L59-S61 PolarHBondContact O-N 2.79Å; L59-L62 PolarHBondContact O-N 3.41Å; L59-E63 WeakPolarHBondContact O-CB 3.44Å; L59-E63 WeakPolarHBondContact O-CG 3.47Å; L59-E63 PolarHBondContact O-N 3.35Å
60F96.7Very high94.4Very high7 Ų752.6 Ų52.63%0.03129%0.285CS..Hα-helixtrans-59-47.9173.7-178.5-115.1000111.7W25 V48 V51 G56 A57 L62 E63 S64 R73 I75W25-F60 AromaticContact CD2-CD1 3.75Å; W25-F60 HydrophobicContact CD2-CD1 3.75Å; W25-F60 AromaticContact CD2-CE1 3.66Å; W25-F60 HydrophobicContact CD2-CE1 3.66Å; W25-F60 AromaticContact CE2-CD1 3.88Å; W25-F60 AromaticContact CE2-CE1 3.54Å; W25-F60 HydrophobicContact CE3-CD1 4.18Å; W25-F60 AromaticContact CE3-CE1 3.82Å; W25-F60 HydrophobicContact CE3-CE1 3.82Å; W25-F60 AromaticContact CG-CD1 3.92Å; W25-F60 HydrophobicContact CG-CD1 3.92Å; W25-F60 HydrophobicContact CG-CE1 4.32Å; W25-F60 AromaticContact CH2-CE1 3.77Å; W25-F60 HydrophobicContact CH2-CE1 3.77Å; W25-F60 HydrophobicContact CH2-CZ 4.49Å; W25-F60 HydrophobicContact CZ2-CD1 4.42Å; W25-F60 AromaticContact CZ2-CE1 3.63Å; W25-F60 HydrophobicContact CZ2-CE1 3.63Å; W25-F60 HydrophobicContact CZ2-CZ 4.5Å; W25-F60 AromaticContact CZ3-CE1 3.86Å; W25-F60 HydrophobicContact CZ3-CE1 3.86Å; V48-F60 HydrophobicContact CG1-CD1 3.94Å; V48-F60 HydrophobicContact CG1-CD2 3.89Å; V48-F60 HydrophobicContact CG1-CE1 3.81Å; V48-F60 HydrophobicContact CG1-CE2 3.76Å; V48-F60 HydrophobicContact CG1-CG 3.97Å; V48-F60 HydrophobicContact CG1-CZ 3.71Å; V48-F60 HydrophobicContact CG2-CD1 4.43Å; V48-F60 HydrophobicContact CG2-CE1 3.89Å; V48-F60 HydrophobicContact CG2-CZ 4.22Å; V51-F60 HydrophobicContact CG2-CB 4.21Å; V51-F60 HydrophobicContact CG2-CG 4.5Å; G56-F60 PolarHBondContact O-N 3.37Å; A57-F60 PolarHBondContact O-N 2.95Å; F60-L62 VanDerWaalsContact C-N 3.3Å; F60-L62 PolarHBondContact O-N 3.49Å; F60-E63 PolarHBondContact O-N 2.82Å; F60-S64 WeakPolarHBondContact O-CB 3.36Å; F60-S64 PolarHBondContact O-N 3.13Å; F60-S64 PolarHBondContact O-OG 3.33Å; F60-S64 VanDerWaalsContact O-OG 3.09Å; F60-R73 HydrophobicContact CB-CB 4.27Å; F60-R73 HydrophobicContact CD2-CB 3.61Å; F60-R73 HydrophobicContact CE2-CB 4.4Å; F60-R73 HydrophobicContact CG-CB 4.32Å; F60-I75 HydrophobicContact CZ-CB 4.38Å
61S97.4Very high94.4Very high0 Ų051.8 Ų51.80%030%0.295CS..Hα-helixtrans-57.3-43.2176.5-176.80000112.6W18 F21 G22 A57 F58 L59 Q65 Q89W18-S61 WeakPolarHBondContact O-CB 3.15Å; W18-S61 PolarHBondContact O-OG 2.87Å; W18-S61 VanDerWaalsContact O-OG 3.04Å; F21-S61 WeakPolarHBondContact CB-OG 3.34Å; G22-S61 PolarHBondContact N-OG 2.99Å; A57-S61 WeakPolarHBondContact O-CB 3.48Å; A57-S61 PolarHBondContact O-N 2.76Å; F58-S61 WeakPolarHBondContact O-CB 3.23Å; F58-S61 PolarHBondContact O-N 2.91Å; L59-S61 PolarHBondContact O-N 2.79Å; S61-Q65 WeakPolarHBondContact O-CB 3.44Å; S61-Q65 PolarHBondContact O-N 2.92Å; S61-Q89 PolarHBondContact O-NE2 3.1Å; S61-Q89 PolarHBondContact OG-NE2 2.82Å; S61-Q89 VanDerWaalsContact OG-NE2 3.16Å
62L96.3Very high94.4Very high35 Ų3557.2 Ų57.218%0.18332%0.318CS..Hα-helixtrans-63.5-52.1176.1-176.9160.1000110.1W18 F58 L59 F60 S64 Q65 T66 I68W18-L62 HydrophobicContact CD2-CD1 4.27Å; W18-L62 HydrophobicContact CD2-CG 4.19Å; W18-L62 HydrophobicContact CE3-CD1 3.97Å; W18-L62 HydrophobicContact CE3-CG 4.39Å; W18-L62 HydrophobicContact CG-CB 4.38Å; W18-L62 HydrophobicContact CG-CG 4.48Å; W18-L62 HydrophobicContact CZ3-CD1 4.24Å; F58-L62 HydrophobicContact CE1-CD1 4.16Å; F58-L62 HydrophobicContact CZ-CD1 4.12Å; F58-L62 WeakPolarHBondContact O-CB 3.48Å; F58-L62 PolarHBondContact O-N 3.49Å; L59-L62 PolarHBondContact O-N 3.41Å; F60-L62 VanDerWaalsContact C-N 3.3Å; F60-L62 PolarHBondContact O-N 3.49Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 2.79Å; L62-Q65 PolarHBondContact O-N 2.87Å; L62-T66 HydrophobicContact CD2-CG2 4.48Å; L62-T66 PolarHBondContact O-N 2.75Å; L62-T66 PolarHBondContact O-OG1 3.46Å; L62-I68 HydrophobicContact CD2-CD1 4.11Å
63E95.9Very high94.7Very high5 Ų553 Ų532%0.02330%0.298CS..Hα-helixtrans-56.9-42.5-178.3-73.2170.3-139.900112.6L59 F60 T67 I68 G69 Y70 R73L59-E63 WeakPolarHBondContact O-CB 3.44Å; L59-E63 WeakPolarHBondContact O-CG 3.47Å; L59-E63 PolarHBondContact O-N 3.35Å; F60-E63 PolarHBondContact O-N 2.82Å; E63-T67 PolarHBondContact O-N 3.22Å; E63-I68 PolarHBondContact O-N 2.82Å; E63-G69 PolarHBondContact O-N 3.35Å; E63-Y70 VanDerWaalsContact CD-CD2 3.46Å; E63-Y70 HydrophobicContact CG-CD2 3.61Å; E63-Y70 HydrophobicContact CG-CE2 3.95Å; E63-R73 IonicContact OE1-CZ 3.94Å; E63-R73 IonicContact OE1-NH1 3.89Å; E63-R73 PolarHBondContact OE1-NH1 3.31Å
64S94.9Very high94.7Very high21 Ų2152.2 Ų52.215%0.14730%0.295CS..Hα-helixtrans-70.4-45.5176.7-58.50000112F60 L62 T67F60-S64 WeakPolarHBondContact O-CB 3.36Å; F60-S64 PolarHBondContact O-N 3.13Å; F60-S64 PolarHBondContact O-OG 3.33Å; F60-S64 VanDerWaalsContact O-OG 3.09Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 2.79Å; S64-T67 PolarHBondContact O-N 2.84Å
65Q95.1Very high94.7Very high3 Ų351.3 Ų51.31%0.01429%0.29CS..Hα-helixtrans-67.8-41.8-177.2-177.7161.6-23.100112.5T17 S61 L62 T67 T93T17-Q65 PolarHBondContact OG1-NE2 3.46Å; S61-Q65 WeakPolarHBondContact O-CB 3.44Å; S61-Q65 PolarHBondContact O-N 2.92Å; L62-Q65 PolarHBondContact O-N 2.87Å; Q65-T67 PolarHBondContact O-N 2.84Å; Q65-T93 HydrophobicContact CG-CG2 3.54Å; Q65-T93 VanDerWaalsContact CG-OG1 3.32Å; Q65-T93 WeakPolarHBondContact CG-OG1 3.29Å
66T93.9Very high94.6Very high43 Ų4347.9 Ų47.926%0.26427%0.269SS..THydrogen-bonded Turntrans-87.97.9179.162.90000112.8W18 L62 I68W18-T66 HydrophobicContact CZ2-CG2 3.69Å; L62-T66 HydrophobicContact CD2-CG2 4.48Å; L62-T66 PolarHBondContact O-N 2.75Å; L62-T66 PolarHBondContact O-OG1 3.46Å; T66-I68 PolarHBondContact O-N 2.83Å; T66-I68 VanDerWaalsContact O-N 3.09Å; T66-I68 WeakPolarHBondContact OG1-CD1 3.37Å; T66-I68 VanDerWaalsContact OG1-CG1 3.25Å; T66-I68 WeakPolarHBondContact OG1-CG1 3.3Å
67T93.8Very high94.5Very high118 Ų11855.4 Ų55.472%0.72430%0.303SS*.THydrogen-bonded Turntrans5134.4-178.9710000113.5E63 S64 Q65E63-T67 PolarHBondContact O-N 3.22Å; S64-T67 PolarHBondContact O-N 2.84Å; Q65-T67 PolarHBondContact O-N 2.84Å
68I96.2Very high94.3Very high75 Ų7560 Ų6039%0.38532%0.324SS..  trans-78.3-47.7176.7-69.7169.6000109.3L62 E63 T66 Y70L62-I68 HydrophobicContact CD2-CD1 4.11Å; E63-I68 PolarHBondContact O-N 2.82Å; T66-I68 PolarHBondContact O-N 2.83Å; T66-I68 VanDerWaalsContact O-N 3.09Å; T66-I68 WeakPolarHBondContact OG1-CD1 3.37Å; T66-I68 VanDerWaalsContact OG1-CG1 3.25Å; T66-I68 WeakPolarHBondContact OG1-CG1 3.3Å; I68-Y70 HydrophobicContact CG2-CD1 3.66Å; I68-Y70 HydrophobicContact CG2-CD2 4.04Å; I68-Y70 HydrophobicContact CG2-CE1 3.31Å; I68-Y70 HydrophobicContact CG2-CE2 3.72Å; I68-Y70 HydrophobicContact CG2-CG 4Å
69G91.9Very high94.1Very high54 Ų5457.7 Ų57.756%0.55732%0.315SS*.  trans50.961.9173.100000114.3E63 G71E63-G69 PolarHBondContact O-N 3.35Å; G69-G71 PolarHBondContact O-N 3.45Å
70Y93.4Very high94Very high167 Ų16759.1 Ų59.166%0.65533%0.328SS*.  trans-58.6-22.7-179.7-65.1-57.8000113.4E63 I68 F72E63-Y70 VanDerWaalsContact CD-CD2 3.46Å; E63-Y70 HydrophobicContact CG-CD2 3.61Å; E63-Y70 HydrophobicContact CG-CE2 3.95Å; I68-Y70 HydrophobicContact CG2-CD1 3.66Å; I68-Y70 HydrophobicContact CG2-CD2 4.04Å; I68-Y70 HydrophobicContact CG2-CE1 3.31Å; I68-Y70 HydrophobicContact CG2-CE2 3.72Å; I68-Y70 HydrophobicContact CG2-CG 4Å; Y70-F72 VanDerWaalsContact C-N 3.3Å; Y70-F72 PolarHBondContact O-N 3.4Å
71G90.6Very high93.9Very high52 Ų5263.6 Ų63.654%0.53636%0.356SS..SBendtrans86.7-6.7175.600000114.6G69G69-G71 PolarHBondContact O-N 3.45Å
72F92.4Very high93.8Very high122 Ų12263.6 Ų63.654%0.53536%0.356SS..SBendtrans-69.7-34.6172.4-177-104.6000112.2E50 Y70E50-F72 HydrophobicContact CB-CD1 4.13Å; E50-F72 HydrophobicContact CB-CE1 3.65Å; E50-F72 HydrophobicContact CB-CZ 4.08Å; E50-F72 HydrophobicContact CG-CD1 4.44Å; E50-F72 HydrophobicContact CG-CE1 3.83Å; E50-F72 HydrophobicContact CG-CE2 4.23Å; E50-F72 HydrophobicContact CG-CZ 3.7Å; Y70-F72 VanDerWaalsContact C-N 3.3Å; Y70-F72 PolarHBondContact O-N 3.4Å
73R93.9Very high93.8Very high46 Ų4665.4 Ų65.417%0.17437%0.365CS..SBendtrans-108.6112.7171.4-63.1172.6-171.885.311107.8M49 E50 G56 F60 E63M49-R73 WeakPolarHBondContact O-CA 3.45Å; E50-R73 HydrophobicContact CB-CG 4.23Å; G56-R73 WeakPolarHBondContact O-CD 3.36Å; G56-R73 PolarHBondContact O-NE 3.29Å; F60-R73 HydrophobicContact CB-CB 4.27Å; F60-R73 HydrophobicContact CD2-CB 3.61Å; F60-R73 HydrophobicContact CE2-CB 4.4Å; F60-R73 HydrophobicContact CG-CB 4.32Å; E63-R73 IonicContact OE1-CZ 3.94Å; E63-R73 IonicContact OE1-NH1 3.89Å; E63-R73 PolarHBondContact OE1-NH1 3.31Å
74C93Very high93.8Very high58 Ų5869.3 Ų69.339%0.39239%0.389SS..  trans-129143.3-177.360.20000111V48 M49V48-C74 CarbonylContact C-O 3.56Å; V48-C74 WeakPolarHBondContact CA-O 3.16Å; V48-C74 WeakPolarHBondContact CG1-O 3.26Å; M49-C74 WeakPolarHBondContact CG-SG 3.37Å; M49-C74 PolarHBondContact N-O 3.33Å
75I94.6Very high93.9Very high53 Ų5369.4 Ų69.427%0.27239%0.388SS..BIsolated β-bridgetrans-74.2142.8173.5-166.8170.1000109.8W25 F60 A82 I83 L86W25-I75 HydrophobicContact CH2-CD1 4.1Å; F60-I75 HydrophobicContact CZ-CB 4.38Å; I75-A82 HydrophobicContact CD1-CB 3.83Å; I75-A82 HydrophobicContact CG1-CB 4.15Å; I75-I83 HydrophobicContact CD1-CG1 4.04Å; I75-L86 HydrophobicContact CD1-CB 4.29Å; I75-L86 HydrophobicContact CD1-CD2 4.09Å; I75-L86 HydrophobicContact CG2-CD2 4.33Å
76T92.9Very high93.9Very high22 Ų2271 Ų7114%0.13540%0.397CS..  trans-105.4164.6174.266.80000110.7P46 C47 M49 E78P46-T76 WeakPolarHBondContact O-CB 3.42Å; P46-T76 WeakPolarHBondContact O-CG2 3.35Å; P46-T76 PolarHBondContact O-OG1 3.16Å; C47-T76 PolarHBondContact O-N 3.45Å; C47-T76 PolarHBondContact O-OG1 3.41Å; M49-T76 HydrophobicContact CG-CG2 4Å; M49-T76 HydrophobicContact SD-CG2 4.02Å; T76-E78 PolarHBondContact O-N 3.46Å
77E92.2Very high94.1Very high162 Ų16273.5 Ų73.576%0.75741%0.407SS*.THydrogen-bonded Turntrans-74.2-5.4175.953.9-96-145.100115.1C79E77-C79 PolarHBondContact O-N 3.16Å
78E90.9Very high94.2Very high97 Ų9771 Ų7145%0.45339%0.391SS..THydrogen-bonded Turntrans-67.9-36.6-171.9-63-65.8173.200113.7T45 T76 P80T45-E78 WeakPolarHBondContact CB-OE1 3.15Å; T45-E78 WeakPolarHBondContact OG1-CG 3.42Å; T45-E78 PolarHBondContact OG1-OE1 2.84Å; T76-E78 PolarHBondContact O-N 3.46Å; E78-P80 VanDerWaalsContact O-CD 3.29Å; E78-P80 WeakPolarHBondContact O-CD 3.48Å
79C93.4Very high94.2Very high10 Ų1067.4 Ų67.47%0.06837%0.373CS..  trans-113.599.6-170.3-56.90000111.1H32 C47 E77 V81 A82 I83H32-C79 VanDerWaalsContact CD2-SG 3.57Å; C47-C79 WeakPolarHBondContact CA-SG 3.28Å; C47-C79 HydrophobicContact CB-CB 3.6Å; C47-C79 WeakPolarHBondContact CB-SG 3.28Å; C47-C79 WeakPolarHBondContact SG-CB 3.45Å; C47-C79 CovalentContact SG-SG 2.03Å; C47-C79 PolarHBondContact SG-SG 3.15Å; E77-C79 PolarHBondContact O-N 3.16Å; C79-V81 PolarHBondContact O-N 2.84Å; C79-V81 VanDerWaalsContact O-N 3.15Å; C79-A82 HydrophobicContact CB-CB 3.84Å; C79-A82 VanDerWaalsContact O-CB 3.31Å; C79-A82 WeakPolarHBondContact O-CB 3.39Å; C79-A82 PolarHBondContact O-N 3.37Å; C79-I83 PolarHBondContact O-N 2.79Å
80P94.6Very high94.4Very high91 Ų9168 Ų6859%0.59136%0.363SS*.Hα-helixtrans-57.4-32.3175-26.233.9000113E78 A82 I83 V84E78-P80 VanDerWaalsContact O-CD 3.29Å; E78-P80 WeakPolarHBondContact O-CD 3.48Å; P80-A82 VanDerWaalsContact C-N 3.31Å; P80-A82 PolarHBondContact O-N 3.4Å; P80-I83 PolarHBondContact O-N 2.6Å; P80-V84 WeakPolarHBondContact O-CG2 3.3Å; P80-V84 PolarHBondContact O-N 2.94Å
81V94.9Very high94.5Very high102 Ų10263.7 Ų63.762%0.61835%0.354SS*.Hα-helixtrans-62.4-38.6176.6178.50000111.4V28 C79 V84 L85V28-V81 HydrophobicContact CG2-CG1 4.39Å; C79-V81 PolarHBondContact O-N 2.84Å; C79-V81 VanDerWaalsContact O-N 3.15Å; V81-V84 PolarHBondContact O-N 3.05Å; V81-L85 VanDerWaalsContact O-CB 3.32Å; V81-L85 WeakPolarHBondContact O-CB 2.95Å; V81-L85 PolarHBondContact O-N 2.86Å
82A94.7Very high94.7Very high0 Ų064.7 Ų64.70%035%0.346CS..Hα-helixtrans-63.4-44.3174.900000110.9W25 V28 C47 I75 C79 P80 V84 L85 L86W25-A82 HydrophobicContact CH2-CB 4.21Å; W25-A82 WeakPolarHBondContact CH2-O 3.49Å; W25-A82 HydrophobicContact CZ3-CB 3.72Å; V28-A82 HydrophobicContact CG1-CB 4.45Å; C47-A82 HydrophobicContact CB-CB 4.24Å; I75-A82 HydrophobicContact CD1-CB 3.83Å; I75-A82 HydrophobicContact CG1-CB 4.15Å; C79-A82 HydrophobicContact CB-CB 3.84Å; C79-A82 VanDerWaalsContact O-CB 3.31Å; C79-A82 WeakPolarHBondContact O-CB 3.39Å; C79-A82 PolarHBondContact O-N 3.37Å; P80-A82 VanDerWaalsContact C-N 3.31Å; P80-A82 PolarHBondContact O-N 3.4Å; A82-V84 PolarHBondContact O-N 2.83Å; A82-L85 PolarHBondContact O-N 3.43Å; A82-L86 PolarHBondContact O-N 2.89Å
83I95.8Very high94.7Very high72 Ų7259.1 Ų59.137%0.36932%0.323SS..Hα-helixtrans-62.7-45.7179.4-59.9171.9000110.5I75 C79 P80 L85 L86 I87I75-I83 HydrophobicContact CD1-CG1 4.04Å; C79-I83 PolarHBondContact O-N 2.79Å; P80-I83 PolarHBondContact O-N 2.6Å; I83-L85 VanDerWaalsContact C-N 3.35Å; I83-L85 PolarHBondContact O-N 2.71Å; I83-L86 PolarHBondContact O-N 2.88Å; I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CG1 3.11Å; I83-I87 PolarHBondContact O-N 2.92Å
84V96.7Very high94.7Very high87 Ų8762.3 Ų62.353%0.52734%0.341SS..Hα-helixtrans-62.6-42.5176.3173.80000111.1P80 V81 A82 L86 I87 V88P80-V84 WeakPolarHBondContact O-CG2 3.3Å; P80-V84 PolarHBondContact O-N 2.94Å; V81-V84 PolarHBondContact O-N 3.05Å; A82-V84 PolarHBondContact O-N 2.83Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 2.87Å; V84-I87 PolarHBondContact O-N 2.69Å; V84-V88 HydrophobicContact CG1-CG2 4.38Å; V84-V88 WeakPolarHBondContact O-CG2 3.36Å; V84-V88 PolarHBondContact O-N 2.9Å
85L96.6Very high94.8Very high24 Ų2462.9 Ų62.913%0.12634%0.342CS..Hα-helixtrans-60.5-43.1177-179.260.6000111.5F21 L24 W25 V28 V81 A82 I83 V88 Q89F21-L85 HydrophobicContact CD1-CD1 4.05Å; F21-L85 HydrophobicContact CE1-CD1 4.03Å; L24-L85 HydrophobicContact CB-CD1 4.13Å; L24-L85 HydrophobicContact CB-CD2 4.01Å; L24-L85 HydrophobicContact CD1-CD1 3.98Å; W25-L85 HydrophobicContact CD2-CD2 3.69Å; W25-L85 HydrophobicContact CD2-CG 4.44Å; W25-L85 HydrophobicContact CE3-CD2 3.84Å; W25-L85 HydrophobicContact CG-CD2 4.21Å; W25-L85 HydrophobicContact CH2-CB 4.24Å; W25-L85 HydrophobicContact CH2-CD2 4.24Å; W25-L85 HydrophobicContact CH2-CG 4.3Å; W25-L85 HydrophobicContact CZ2-CB 4.3Å; W25-L85 HydrophobicContact CZ2-CD2 4.09Å; W25-L85 HydrophobicContact CZ2-CG 3.97Å; W25-L85 HydrophobicContact CZ3-CD2 4.12Å; V28-L85 HydrophobicContact CG2-CD2 3.87Å; V81-L85 VanDerWaalsContact O-CB 3.32Å; V81-L85 WeakPolarHBondContact O-CB 2.95Å; V81-L85 PolarHBondContact O-N 2.86Å; A82-L85 PolarHBondContact O-N 3.43Å; I83-L85 VanDerWaalsContact C-N 3.35Å; I83-L85 PolarHBondContact O-N 2.71Å; L85-V88 PolarHBondContact O-N 3.07Å; L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 PolarHBondContact O-N 2.83Å
86L95.9Very high94.6Very high37 Ų3762.1 Ų62.119%0.19434%0.338CS..Hα-helixtrans-61.1-46.6175.3-178.863.5000111.5W25 I75 A82 I83 V84 V88 Q89 L90W25-L86 HydrophobicContact CH2-CB 4.03Å; W25-L86 HydrophobicContact CZ2-CB 3.95Å; W25-L86 HydrophobicContact CZ2-CD1 4.34Å; I75-L86 HydrophobicContact CD1-CB 4.29Å; I75-L86 HydrophobicContact CD1-CD2 4.09Å; I75-L86 HydrophobicContact CG2-CD2 4.33Å; A82-L86 PolarHBondContact O-N 2.89Å; I83-L86 PolarHBondContact O-N 2.88Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 2.87Å; L86-V88 VanDerWaalsContact C-N 3.35Å; L86-V88 PolarHBondContact O-N 2.72Å; L86-Q89 WeakPolarHBondContact O-CB 3.47Å; L86-Q89 PolarHBondContact O-N 2.86Å; L86-L90 HydrophobicContact CD1-CD1 4.48Å; L86-L90 HydrophobicContact CD1-CG 4.42Å; L86-L90 HydrophobicContact CG-CD1 4.3Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.28Å; L86-L90 PolarHBondContact O-N 3.24Å
87I96.8Very high94.5Very high95 Ų9565.1 Ų65.149%0.48735%0.351SS..Hα-helixtrans-59.6-47.1177.7-67.3164.8000110.6I83 V84 Q89 L90 V91I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CG1 3.11Å; I83-I87 PolarHBondContact O-N 2.92Å; V84-I87 PolarHBondContact O-N 2.69Å; I87-Q89 VanDerWaalsContact C-N 3.33Å; I87-Q89 PolarHBondContact O-N 3.46Å; I87-L90 PolarHBondContact O-N 3.27Å; I87-V91 HydrophobicContact CG2-CG2 4.5Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 3.49Å
88V96.8Very high94.6Very high64 Ų6463.1 Ų63.139%0.38834%0.344SS..Hα-helixtrans-60.9-43.4177.7169.90000110.9V84 L85 L86 L90 V91 I92V84-V88 HydrophobicContact CG1-CG2 4.38Å; V84-V88 WeakPolarHBondContact O-CG2 3.36Å; V84-V88 PolarHBondContact O-N 2.9Å; L85-V88 PolarHBondContact O-N 3.07Å; L86-V88 VanDerWaalsContact C-N 3.35Å; L86-V88 PolarHBondContact O-N 2.72Å; V88-L90 PolarHBondContact O-N 3.46Å; V88-V91 PolarHBondContact O-N 3.31Å; V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.37Å; V88-I92 WeakPolarHBondContact O-CG1 3.47Å; V88-I92 PolarHBondContact O-N 2.77Å
89Q96.3Very high94.7Very high0 Ų065.1 Ų65.10%035%0.351CS..Hα-helixtrans-58.7-47.1176.8-175175.1-0.500111.7F21 S61 L85 L86 I87 T93F21-Q89 HydrophobicContact CB-CG 4.35Å; F21-Q89 HydrophobicContact CD1-CB 3.69Å; F21-Q89 HydrophobicContact CD1-CG 3.71Å; F21-Q89 HydrophobicContact CD2-CG 3.92Å; F21-Q89 HydrophobicContact CE1-CB 3.5Å; F21-Q89 HydrophobicContact CE1-CG 3.89Å; F21-Q89 HydrophobicContact CE2-CB 4.43Å; F21-Q89 HydrophobicContact CE2-CG 4.09Å; F21-Q89 HydrophobicContact CG-CB 4.24Å; F21-Q89 HydrophobicContact CG-CG 3.73Å; F21-Q89 HydrophobicContact CZ-CB 3.91Å; F21-Q89 HydrophobicContact CZ-CG 4.08Å; S61-Q89 PolarHBondContact O-NE2 3.1Å; S61-Q89 PolarHBondContact OG-NE2 2.82Å; S61-Q89 VanDerWaalsContact OG-NE2 3.16Å; L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 PolarHBondContact O-N 2.83Å; L86-Q89 WeakPolarHBondContact O-CB 3.47Å; L86-Q89 PolarHBondContact O-N 2.86Å; I87-Q89 VanDerWaalsContact C-N 3.33Å; I87-Q89 PolarHBondContact O-N 3.46Å; Q89-T93 VanDerWaalsContact O-CB 3.3Å; Q89-T93 WeakPolarHBondContact O-CB 3.31Å; Q89-T93 PolarHBondContact O-N 3.48Å; Q89-T93 PolarHBondContact O-OG1 2.91Å
90L95.2Very high94.6Very high67 Ų6765.9 Ų65.935%0.35135%0.354SS..Hα-helixtrans-64.6-43.6179.5-66.7176000112L86 I87 V88 T93 M94L86-L90 HydrophobicContact CD1-CD1 4.48Å; L86-L90 HydrophobicContact CD1-CG 4.42Å; L86-L90 HydrophobicContact CG-CD1 4.3Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.28Å; L86-L90 PolarHBondContact O-N 3.24Å; I87-L90 PolarHBondContact O-N 3.27Å; V88-L90 PolarHBondContact O-N 3.46Å; L90-T93 PolarHBondContact O-N 3.48Å; L90-M94 WeakPolarHBondContact O-CG 3.43Å; L90-M94 PolarHBondContact O-N 3.19Å
91V96.4Very high94.4Very high76 Ų7665.9 Ų65.946%0.46135%0.353SS..Hα-helixtrans-62.1-48178.4171.20000111.3I87 V88 T93 M94 V95I87-V91 HydrophobicContact CG2-CG2 4.5Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 3.49Å; V88-V91 PolarHBondContact O-N 3.31Å; V91-T93 VanDerWaalsContact C-N 3.3Å; V91-T93 PolarHBondContact O-N 3.47Å; V91-M94 PolarHBondContact O-N 3.46Å; V91-V95 WeakPolarHBondContact O-CG2 3.33Å; V91-V95 PolarHBondContact O-N 2.78Å; V91-V95 VanDerWaalsContact O-N 3.15Å
92I94.1Very high94.3Very high73 Ų7362.9 Ų62.937%0.37434%0.343SS..Hα-helixtrans-64.9-38.5180-65.8177.4000110.3F21 V88 V95 M96F21-I92 HydrophobicContact CZ-CD1 4.13Å; V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.37Å; V88-I92 WeakPolarHBondContact O-CG1 3.47Å; V88-I92 PolarHBondContact O-N 2.77Å; I92-V95 PolarHBondContact O-N 3.13Å; I92-M96 HydrophobicContact CG2-CE 3.57Å; I92-M96 HydrophobicContact CG2-SD 4.4Å; I92-M96 WeakPolarHBondContact O-CG 3.44Å; I92-M96 PolarHBondContact O-N 3.06Å
93T92.5Very high94.1Very high6 Ų665.7 Ų65.74%0.03736%0.359CS..Hα-helixtrans-59.8-50.7176.3-59.20000111.6Q65 Q89 L90 V91 V95 M96 E97Q65-T93 HydrophobicContact CG-CG2 3.54Å; Q65-T93 VanDerWaalsContact CG-OG1 3.32Å; Q65-T93 WeakPolarHBondContact CG-OG1 3.29Å; Q89-T93 VanDerWaalsContact O-CB 3.3Å; Q89-T93 WeakPolarHBondContact O-CB 3.31Å; Q89-T93 PolarHBondContact O-N 3.48Å; Q89-T93 PolarHBondContact O-OG1 2.91Å; L90-T93 PolarHBondContact O-N 3.48Å; V91-T93 VanDerWaalsContact C-N 3.3Å; V91-T93 PolarHBondContact O-N 3.47Å; T93-V95 VanDerWaalsContact C-N 3.29Å; T93-V95 PolarHBondContact O-N 3.16Å; T93-M96 PolarHBondContact O-N 3.22Å; T93-M96 VanDerWaalsContact O-N 3.11Å; T93-E97 HydrophobicContact CG2-CG 4.38Å; T93-E97 WeakPolarHBondContact O-CG 3.05Å; T93-E97 PolarHBondContact O-N 3.15Å
94M94Very high93.8Very high112 Ų11266.3 Ų66.355%0.55236%0.36SS*.Hα-helixtrans-58-43.1178.5-73.4-163.3-65.500112L90 V91 M96 E97 I98L90-M94 WeakPolarHBondContact O-CG 3.43Å; L90-M94 PolarHBondContact O-N 3.19Å; V91-M94 PolarHBondContact O-N 3.46Å; M94-M96 PolarHBondContact O-N 2.86Å; M94-E97 PolarHBondContact O-N 3.02Å; M94-I98 VanDerWaalsContact O-CG1 3.3Å; M94-I98 WeakPolarHBondContact O-CG1 3.33Å; M94-I98 PolarHBondContact O-N 2.87Å; M94-I98 VanDerWaalsContact O-N 3.1Å
95V94.6Very high93.4Very high70 Ų7067.8 Ų67.842%0.42436%0.364SS..Hα-helixtrans-60.7-46.2176.8172.90000110.7V91 I92 T93 E97 I98 F99V91-V95 WeakPolarHBondContact O-CG2 3.33Å; V91-V95 PolarHBondContact O-N 2.78Å; V91-V95 VanDerWaalsContact O-N 3.15Å; I92-V95 PolarHBondContact O-N 3.13Å; T93-V95 VanDerWaalsContact C-N 3.29Å; T93-V95 PolarHBondContact O-N 3.16Å; V95-E97 PolarHBondContact O-N 3.33Å; V95-I98 PolarHBondContact O-N 3.15Å; V95-F99 HydrophobicContact CG1-CD2 3.92Å; V95-F99 HydrophobicContact CG1-CE2 3.67Å; V95-F99 WeakPolarHBondContact O-CD2 3.37Å; V95-F99 PolarHBondContact O-N 3.27Å
96M91.6Very high92.9Very high38 Ų3869.2 Ų69.219%0.18738%0.38CS..Hα-helixtrans-62.9-41.6178.5-72.6-169-7500112.7T13 T17 I92 T93 M94 I98 F99 I100T13-M96 HydrophobicContact CG2-SD 4.08Å; T17-M96 HydrophobicContact CG2-CE 3.4Å; T17-M96 HydrophobicContact CG2-SD 3.56Å; T17-M96 VanDerWaalsContact CG2-SD 3.56Å; I92-M96 HydrophobicContact CG2-CE 3.57Å; I92-M96 HydrophobicContact CG2-SD 4.4Å; I92-M96 WeakPolarHBondContact O-CG 3.44Å; I92-M96 PolarHBondContact O-N 3.06Å; T93-M96 PolarHBondContact O-N 3.22Å; T93-M96 VanDerWaalsContact O-N 3.11Å; M94-M96 PolarHBondContact O-N 2.86Å; M96-I98 VanDerWaalsContact C-N 3.35Å; M96-I98 PolarHBondContact O-N 2.88Å; M96-F99 PolarHBondContact O-N 3.18Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 2.88Å
97E91.4Very high92.4Very high85 Ų8569.7 Ų69.740%0.39738%0.38SS..Hα-helixtrans-61.9-40.4177.6-74.3-176.2168.500112.7T93 M94 V95 F99 I100 T101T93-E97 HydrophobicContact CG2-CG 4.38Å; T93-E97 WeakPolarHBondContact O-CG 3.05Å; T93-E97 PolarHBondContact O-N 3.15Å; M94-E97 PolarHBondContact O-N 3.02Å; V95-E97 PolarHBondContact O-N 3.33Å; E97-F99 VanDerWaalsContact C-N 3.35Å; E97-F99 PolarHBondContact O-N 3.44Å; E97-I100 PolarHBondContact O-N 2.94Å; E97-T101 VanDerWaalsContact O-CB 3.27Å; E97-T101 WeakPolarHBondContact O-CB 3.28Å; E97-T101 PolarHBondContact O-N 3.25Å; E97-T101 PolarHBondContact O-OG1 3.3Å
98I94.3Very high91.8Very high120 Ų12069.2 Ų69.262%0.61538%0.381SS*.Hα-helixtrans-59.6-46.8175.2-69.5165.3000110.3M94 V95 M96 G102M94-I98 VanDerWaalsContact O-CG1 3.3Å; M94-I98 WeakPolarHBondContact O-CG1 3.33Å; M94-I98 PolarHBondContact O-N 2.87Å; M94-I98 VanDerWaalsContact O-N 3.1Å; V95-I98 PolarHBondContact O-N 3.15Å; M96-I98 VanDerWaalsContact C-N 3.35Å; M96-I98 PolarHBondContact O-N 2.88Å; I98-G102 PolarHBondContact O-N 2.85Å
99F92Very high91Very high139 Ų13969.3 Ų69.361%0.6139%0.389SS*.Hα-helixtrans-65-44.4179-80.3-70.3000112.5V95 M96 E97 T103V95-F99 HydrophobicContact CG1-CD2 3.92Å; V95-F99 HydrophobicContact CG1-CE2 3.67Å; V95-F99 WeakPolarHBondContact O-CD2 3.37Å; V95-F99 PolarHBondContact O-N 3.27Å; M96-F99 PolarHBondContact O-N 3.18Å; E97-F99 VanDerWaalsContact C-N 3.35Å; E97-F99 PolarHBondContact O-N 3.44Å; F99-T103 WeakPolarHBondContact O-CB 3.35Å; F99-T103 VanDerWaalsContact O-CG2 3.23Å; F99-T103 WeakPolarHBondContact O-CG2 3.49Å; F99-T103 PolarHBondContact O-N 2.74Å; F99-T103 PolarHBondContact O-OG1 3.49Å
100I91.3Very high90Very high26 Ų2678.1 Ų78.113%0.13342%0.422CS..Hα-helixtrans-64.6-48.9-179.6-68172000110.1F10 F14 M96 E97 G102 T103 F104F10-I100 HydrophobicContact CB-CG2 4.46Å; F10-I100 HydrophobicContact CD1-CB 4.42Å; F10-I100 HydrophobicContact CD1-CD1 4.4Å; F10-I100 HydrophobicContact CD1-CG1 3.89Å; F10-I100 HydrophobicContact CD1-CG2 3.96Å; F10-I100 HydrophobicContact CD2-CG2 4.14Å; F10-I100 HydrophobicContact CE1-CB 4.45Å; F10-I100 HydrophobicContact CE1-CG1 4.16Å; F10-I100 HydrophobicContact CE1-CG2 4.15Å; F10-I100 HydrophobicContact CE2-CG2 4.32Å; F10-I100 HydrophobicContact CG-CG2 3.95Å; F10-I100 HydrophobicContact CZ-CG2 4.33Å; F14-I100 HydrophobicContact CD2-CD1 4.24Å; F14-I100 HydrophobicContact CE1-CD1 4.06Å; F14-I100 HydrophobicContact CE2-CD1 3.49Å; F14-I100 VanDerWaalsContact CE2-CD1 3.49Å; F14-I100 HydrophobicContact CE2-CG2 4.42Å; F14-I100 HydrophobicContact CZ-CD1 3.39Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 2.88Å; E97-I100 PolarHBondContact O-N 2.94Å; I100-G102 PolarHBondContact O-N 2.81Å; I100-T103 PolarHBondContact O-N 3.08Å; I100-T103 PolarHBondContact O-OG1 3.36Å; I100-F104 WeakPolarHBondContact O-CB 3.48Å; I100-F104 PolarHBondContact O-N 3.21Å
101T91.1Very high88.5Confident91 Ų9177.4 Ų77.456%0.55842%0.421SS*.Hα-helixtrans-63.1-44.2179.3-56.10000111.4E97 T103 F104 L105E97-T101 VanDerWaalsContact O-CB 3.27Å; E97-T101 WeakPolarHBondContact O-CB 3.28Å; E97-T101 PolarHBondContact O-N 3.25Å; E97-T101 PolarHBondContact O-OG1 3.3Å; T101-T103 PolarHBondContact O-N 2.93Å; T101-F104 WeakPolarHBondContact O-CB 3.39Å; T101-F104 PolarHBondContact O-N 3.31Å; T101-L105 WeakPolarHBondContact O-CB 3.41Å; T101-L105 PolarHBondContact O-N 3.48Å
102G92.7Very high87.1Confident39 Ų3982.8 Ų82.840%0.40244%0.439SS..Hα-helixtrans-62-44.5177.200000112.8I98 I100 F104 L105 A106I98-G102 PolarHBondContact O-N 2.85Å; I100-G102 PolarHBondContact O-N 2.81Å; G102-F104 VanDerWaalsContact C-N 3.32Å; G102-F104 PolarHBondContact O-N 2.98Å; G102-L105 PolarHBondContact O-N 3Å; G102-A106 VanDerWaalsContact O-CB 3.24Å; G102-A106 WeakPolarHBondContact O-CB 3.34Å; G102-A106 PolarHBondContact O-N 3.09Å
103T89.6Confident85.8Confident58 Ų5886.9 Ų86.936%0.35645%0.453SS..Hα-helixtrans-71.7-26.4178.259.50000113.5K6 F10 F99 I100 T101 K107K6-T103 PolarHBondContact NZ-O 3.04Å; F10-T103 VanDerWaalsContact CZ-OG1 3.3Å; F10-T103 WeakPolarHBondContact CZ-OG1 3.49Å; F99-T103 WeakPolarHBondContact O-CB 3.35Å; F99-T103 VanDerWaalsContact O-CG2 3.23Å; F99-T103 WeakPolarHBondContact O-CG2 3.49Å; F99-T103 PolarHBondContact O-N 2.74Å; F99-T103 PolarHBondContact O-OG1 3.49Å; I100-T103 PolarHBondContact O-N 3.08Å; I100-T103 PolarHBondContact O-OG1 3.36Å; T101-T103 PolarHBondContact O-N 2.93Å; T103-K107 PolarHBondContact O-N 2.84Å
104F89.4Confident84.7Confident86 Ų8687.1 Ų87.138%0.37745%0.454SS..Hα-helixtrans-68.8-55.1170.6-174.9-90.1000110.3W3 F7 I100 T101 G102 A106 K107 V108W3-F104 AromaticContact CH2-CD2 3.96Å; W3-F104 HydrophobicContact CH2-CD2 3.96Å; W3-F104 AromaticContact CH2-CE2 3.72Å; W3-F104 HydrophobicContact CH2-CE2 3.72Å; W3-F104 HydrophobicContact CH2-CZ 4.19Å; W3-F104 AromaticContact CZ3-CD2 3.64Å; W3-F104 HydrophobicContact CZ3-CD2 3.64Å; W3-F104 AromaticContact CZ3-CE2 3.45Å; W3-F104 HydrophobicContact CZ3-CE2 3.45Å; W3-F104 VanDerWaalsContact CZ3-CE2 3.45Å; W3-F104 HydrophobicContact CZ3-CZ 4.33Å; F7-F104 HydrophobicContact CE1-CE2 4.31Å; F7-F104 HydrophobicContact CZ-CE2 4.24Å; I100-F104 WeakPolarHBondContact O-CB 3.48Å; I100-F104 PolarHBondContact O-N 3.21Å; T101-F104 WeakPolarHBondContact O-CB 3.39Å; T101-F104 PolarHBondContact O-N 3.31Å; G102-F104 VanDerWaalsContact C-N 3.32Å; G102-F104 PolarHBondContact O-N 2.98Å; F104-A106 PolarHBondContact O-N 2.67Å; F104-K107 PolarHBondContact O-N 2.81Å; F104-V108 HydrophobicContact CD1-CG2 4.03Å; F104-V108 HydrophobicContact CE1-CG2 3.7Å; F104-V108 HydrophobicContact CZ-CG2 4.09Å; F104-V108 WeakPolarHBondContact O-CG2 3.47Å; F104-V108 PolarHBondContact O-N 3.21Å
105L88.5Confident83.2Confident117 Ų11782.8 Ų82.861%0.61344%0.437SS*.Hα-helixtrans-58.5-45.5179.8-174.963.7000111.6T101 G102 K107 V108 A109T101-L105 WeakPolarHBondContact O-CB 3.41Å; T101-L105 PolarHBondContact O-N 3.48Å; G102-L105 PolarHBondContact O-N 3Å; L105-K107 PolarHBondContact O-N 3.22Å; L105-V108 PolarHBondContact O-N 2.99Å; L105-A109 VanDerWaalsContact O-CB 3.31Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.25Å
106A87Confident82.2Confident55 Ų5586.7 Ų86.746%0.45545%0.451SS..Hα-helixtrans-61.2-28.3176.800000113.1G102 F104 R110G102-A106 VanDerWaalsContact O-CB 3.24Å; G102-A106 WeakPolarHBondContact O-CB 3.34Å; G102-A106 PolarHBondContact O-N 3.09Å; F104-A106 PolarHBondContact O-N 2.67Å; A106-R110 WeakPolarHBondContact O-CG 3.19Å
107K85.7Confident81.9Confident47 Ų4786.4 Ų86.420%0.20445%0.451CS..Hα-helixtrans-80.8-39.9175.3-176.4176.2176.177.40112.1M1 W3 K6 T103 F104 L105 A109 R110M1-K107 PolarHBondContact O-NZ 3.09Å; W3-K107 HydrophobicContact CD2-CD 3.95Å; W3-K107 VanDerWaalsContact CD2-CE 3.41Å; W3-K107 HydrophobicContact CE3-CD 4.06Å; W3-K107 HydrophobicContact CH2-CB 4.24Å; W3-K107 HydrophobicContact CH2-CD 3.81Å; W3-K107 HydrophobicContact CH2-CG 4.04Å; W3-K107 HydrophobicContact CZ2-CB 4.37Å; W3-K107 HydrophobicContact CZ2-CD 3.68Å; W3-K107 HydrophobicContact CZ2-CG 3.75Å; W3-K107 HydrophobicContact CZ3-CD 3.99Å; K6-K107 HydrophobicContact CD-CD 3.48Å; K6-K107 VanDerWaalsContact CD-CD 3.48Å; T103-K107 PolarHBondContact O-N 2.84Å; F104-K107 PolarHBondContact O-N 2.81Å; L105-K107 PolarHBondContact O-N 3.22Å; K107-A109 VanDerWaalsContact C-N 3.31Å; K107-R110 PolarHBondContact O-N 3.5Å
108V83.7Confident81.9Confident84 Ų8482.9 Ų82.951%0.50944%0.436SS..Hα-helixtrans-64.3-40.1176.7174.60000110.5W3 F104 L105 R110W3-V108 HydrophobicContact CH2-CG2 3.75Å; W3-V108 HydrophobicContact CZ2-CG2 4.02Å; F104-V108 HydrophobicContact CD1-CG2 4.03Å; F104-V108 HydrophobicContact CE1-CG2 3.7Å; F104-V108 HydrophobicContact CZ-CG2 4.09Å; F104-V108 WeakPolarHBondContact O-CG2 3.47Å; F104-V108 PolarHBondContact O-N 3.21Å; L105-V108 PolarHBondContact O-N 2.99Å; V108-R110 PolarHBondContact O-N 2.6Å
109A80.5Confident81.8Confident66 Ų6680.3 Ų80.355%0.54542%0.42SS..THydrogen-bonded Turntrans-67.1-15.7178.100000113.9L105 K107 P111L105-A109 VanDerWaalsContact O-CB 3.31Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.25Å; K107-A109 VanDerWaalsContact C-N 3.31Å; A109-P111 WeakPolarHBondContact O-CD 3.45Å
110R74.1Confident81.9Confident186 Ų18674.7 Ų74.770%0.70240%0.395SS*.  trans-72.8121.8179.4-81177-172.7-110.23.4110.8A106 K107 V108 K112A106-R110 WeakPolarHBondContact O-CG 3.19Å; K107-R110 PolarHBondContact O-N 3.5Å; V108-R110 PolarHBondContact O-N 2.6Å; R110-K112 PolarHBondContact O-N 2.78Å
111P65.1Low82.2Confident52 Ų5273.5 Ų73.534%0.33839%0.39SS..  trans-79.249.1-178.136.2-39.9000112.4A109 K113 R114 A237A109-P111 WeakPolarHBondContact O-CD 3.45Å; P111-K113 VanDerWaalsContact C-N 3.27Å; P111-K113 PolarHBondContact O-N 3.29Å; P111-R114 HydrophobicContact CB-CB 4.44Å; P111-R114 PolarHBondContact O-N 3.41Å; P111-A237 HydrophobicContact CG-CB 3.73Å
112K65.4Low82.3Confident189 Ų18975.2 Ų75.282%0.82239%0.391SS*.THydrogen-bonded Turntrans-62.8-31.6-169.9-166.9178.2179.8-172.80113.4R110R110-K112 PolarHBondContact O-N 2.78Å
113K66.8Low82.5Confident158 Ų15876.3 Ų76.369%0.68739%0.386SS*.THydrogen-bonded Turntrans-91.10.2-176.8-62.8-167.3176.1-169.90114.1P111 E116P111-K113 VanDerWaalsContact C-N 3.27Å; P111-K113 PolarHBondContact O-N 3.29Å; K113-E116 PolarHBondContact O-N 3.22Å
114R69.8Low82.8Confident12 Ų1273.5 Ų73.55%0.04537%0.369CS..SBendtrans-72.1-33.1-178.1-164.469.4167.2111.27.8111.7P111 E116 T117 N141 R143 S145 V232P111-R114 HydrophobicContact CB-CB 4.44Å; P111-R114 PolarHBondContact O-N 3.41Å; R114-E116 PolarHBondContact O-N 3.3Å; R114-T117 PolarHBondContact NH1-OG1 2.72Å; R114-T117 WeakPolarHBondContact O-CB 3.24Å; R114-T117 PolarHBondContact O-N 2.78Å; R114-T117 PolarHBondContact O-OG1 3.05Å; R114-N141 PolarHBondContact NH1-OD1 3.37Å; R114-R143 VanDerWaalsContact NH1-CB 3.33Å; R114-S145 PolarHBondContact NH2-O 3.48Å; R114-S145 PolarHBondContact NH2-OG 3.37Å; R114-V232 HydrophobicContact CB-CG2 4.39Å; R114-V232 HydrophobicContact CG-CG1 4.29Å; R114-V232 HydrophobicContact CG-CG2 3.73Å
115G63.6Low83Confident20 Ų2069.4 Ų69.421%0.20635%0.351CS..G310 helixtrans-59.3-32.1176.900000113.9T117 V118 V241G115-T117 PolarHBondContact O-N 2.93Å; G115-T117 VanDerWaalsContact O-N 3.15Å; G115-V118 PolarHBondContact O-N 3.1Å; G115-V241 WeakPolarHBondContact O-CG1 3.14Å
116E73.6Confident83.2Confident153 Ų15363.9 Ų63.972%0.71532%0.322SS*.G310 helixtrans-67.1-12.7176.3-62.4171.2-175.500113.3K113 R114K113-E116 PolarHBondContact O-N 3.22Å; R114-E116 PolarHBondContact O-N 3.3Å
117T84.4Confident83.4Confident31 Ų3161.6 Ų61.619%0.1930%0.303CS..G310 helixtrans-92.3-3.3179.263.90000113.3R114 G115 M142R114-T117 PolarHBondContact NH1-OG1 2.72Å; R114-T117 WeakPolarHBondContact O-CB 3.24Å; R114-T117 PolarHBondContact O-N 2.78Å; R114-T117 PolarHBondContact O-OG1 3.05Å; G115-T117 PolarHBondContact O-N 2.93Å; G115-T117 VanDerWaalsContact O-N 3.15Å; T117-M142 VanDerWaalsContact O-CB 3.29Å; T117-M142 WeakPolarHBondContact O-CB 3.49Å; T117-M142 WeakPolarHBondContact O-CG 3.48Å; T117-M142 PolarHBondContact O-N 3.32Å
118V90.4Very high83.5Confident12 Ų1262.5 Ų62.57%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-100.6127.5172.61790000107.7G115 F120 V139 A140 L147 M228 V241G115-V118 PolarHBondContact O-N 3.1Å; V118-F120 HydrophobicContact CG1-CE2 4.45Å; V118-V139 HydrophobicContact CG1-CG1 3.69Å; V118-A140 CarbonylContact C-O 3.49Å; V118-A140 WeakPolarHBondContact CA-O 3.4Å; V118-L147 HydrophobicContact CG2-CD1 3.64Å; V118-M228 HydrophobicContact CB-CE 4.03Å; V118-M228 HydrophobicContact CG1-CE 3.46Å; V118-M228 VanDerWaalsContact CG1-CE 3.46Å; V118-M228 HydrophobicContact CG1-SD 3.82Å; V118-M228 HydrophobicContact CG2-CE 3.48Å; V118-M228 VanDerWaalsContact CG2-CE 3.48Å; V118-V241 HydrophobicContact CB-CB 4.3Å; V118-V241 HydrophobicContact CB-CG1 4.2Å; V118-V241 HydrophobicContact CB-CG2 3.9Å; V118-V241 HydrophobicContact CG1-CB 4.46Å; V118-V241 HydrophobicContact CG1-CG2 4.44Å; V118-V241 HydrophobicContact CG2-CG2 3.89Å
119K92.4Very high83.5Confident66 Ų6661.5 Ų61.529%0.28730%0.296SS..EExtended strand (participates in β ladder)trans-112.1130.1179.6-169.3-179.8174.2-171.90109.9V139 A140 M142 F275 D276K119-V139 CarbonylContact O-C 3.59Å; K119-V139 WeakPolarHBondContact O-CA 3.17Å; K119-A140 PolarHBondContact N-O 3.4Å; K119-A140 PolarHBondContact O-N 3.44Å; K119-M142 HydrophobicContact CB-CG 3.95Å; K119-M142 HydrophobicContact CB-SD 3.95Å; K119-M142 HydrophobicContact CD-SD 4.12Å; K119-F275 HydrophobicContact CB-CE1 4.38Å; K119-F275 HydrophobicContact CB-CZ 4.42Å; K119-F275 HydrophobicContact CD-CD1 3.97Å; K119-F275 HydrophobicContact CD-CE1 3.78Å; K119-F275 HydrophobicContact CG-CD1 4.47Å; K119-F275 HydrophobicContact CG-CE1 3.78Å; K119-F275 HydrophobicContact CG-CZ 4.29Å; K119-F275 WeakPolarHBondContact O-CZ 3.43Å; K119-D276 WeakPolarHBondContact CE-OD2 3.29Å; K119-D276 IonicContact NZ-OD1 2.85Å; K119-D276 IonicContact NZ-OD2 3.88Å; K119-D276 PolarHBondContact NZ-OD2 3.45Å
120F95.6Very high83.6Confident20 Ų2065.4 Ų65.49%0.08830%0.303CS..EExtended strand (participates in β ladder)trans-94.3153.3166.4-69-89.6000110.1V118 R138 V139 V226 M228 V241 T243V118-F120 HydrophobicContact CG1-CE2 4.45Å; F120-R138 CarbonylContact C-O 3.59Å; F120-R138 WeakPolarHBondContact CA-O 3.42Å; F120-V139 HydrophobicContact CD1-CG1 4.48Å; F120-V139 HydrophobicContact CD1-CG2 3.71Å; F120-V139 HydrophobicContact CE1-CG1 4.34Å; F120-V139 HydrophobicContact CE1-CG2 3.73Å; F120-V226 HydrophobicContact CD1-CG1 4.28Å; F120-V226 HydrophobicContact CE1-CG1 3.68Å; F120-V226 HydrophobicContact CZ-CG1 4.38Å; F120-M228 HydrophobicContact CE1-CB 4.34Å; F120-M228 HydrophobicContact CZ-CB 3.69Å; F120-V241 HydrophobicContact CD2-CG1 4.49Å; F120-V241 HydrophobicContact CE2-CB 4.06Å; F120-V241 HydrophobicContact CE2-CG1 3.8Å; F120-T243 HydrophobicContact CB-CG2 3.71Å; F120-T243 HydrophobicContact CD1-CG2 3.6Å; F120-T243 HydrophobicContact CD2-CG2 3.77Å; F120-T243 HydrophobicContact CE1-CG2 4.11Å; F120-T243 HydrophobicContact CE2-CG2 4.24Å; F120-T243 HydrophobicContact CG-CG2 3.41Å; F120-T243 VanDerWaalsContact CG-CG2 3.41Å; F120-T243 HydrophobicContact CZ-CG2 4.39Å
121S96.3Very high84Confident2 Ų259.6 Ų59.61%0.01430%0.302CS..  trans-59142.9169.848.50000110.6H123 R138 Y245 F256S121-H123 VanDerWaalsContact C-N 3.27Å; S121-H123 VanDerWaalsContact CB-O 3.31Å; S121-H123 WeakPolarHBondContact CB-O 3.37Å; S121-H123 PolarHBondContact O-N 3.36Å; S121-H123 PolarHBondContact OG-O 3.19Å; S121-R138 PolarHBondContact N-O 3.41Å; S121-R138 PolarHBondContact OG-N 2.91Å; S121-Y245 VanDerWaalsContact O-CE1 3.3Å; S121-Y245 WeakPolarHBondContact O-CE1 3.29Å; S121-Y245 PolarHBondContact O-OH 3.49Å; S121-Y245 PolarHBondContact OG-OH 3.25Å; S121-F256 WeakPolarHBondContact OG-CZ 3.32Å
122Q94.6Very high85.1Confident126 Ų12662.7 Ų62.759%0.58931%0.307SS*.SBendtrans-61.7-33.8176.3-75-174.1-9.800113.9D276Q122-D276 HydrophobicContact CG-CB 4.43Å; Q122-D276 PolarHBondContact N-OD1 3.49Å
123H95.2Very high86.3Confident62 Ų6255.2 Ų55.229%0.28728%0.277SS..SBendtrans-118.7152.3177.6-56.684.4000108.9S121 E249 L251 F256S121-H123 VanDerWaalsContact C-N 3.27Å; S121-H123 VanDerWaalsContact CB-O 3.31Å; S121-H123 WeakPolarHBondContact CB-O 3.37Å; S121-H123 PolarHBondContact O-N 3.36Å; S121-H123 PolarHBondContact OG-O 3.19Å; H123-E249 WeakPolarHBondContact CA-O 3.39Å; H123-E249 WeakPolarHBondContact CB-O 3.5Å; H123-L251 HydrophobicContact CB-CD1 3.91Å; H123-L251 HydrophobicContact CB-CG 4.2Å; H123-F256 WeakPolarHBondContact O-CZ 3.2Å
124A95.7Very high87.6Confident0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-92.9155159.500000108.4L135 M136 I137 Y245 E249 I250 L251A124-L135 HydrophobicContact CB-CD1 3.86Å; A124-M136 WeakPolarHBondContact CA-O 3.32Å; A124-I137 HydrophobicContact CB-CG2 3.77Å; A124-Y245 HydrophobicContact CB-CD1 4.14Å; A124-Y245 HydrophobicContact CB-CD2 4.19Å; A124-Y245 HydrophobicContact CB-CE1 4.34Å; A124-Y245 HydrophobicContact CB-CE2 4.39Å; A124-Y245 HydrophobicContact CB-CG 4.05Å; A124-E249 PolarHBondContact N-O 3.01Å; A124-I250 HydrophobicContact CB-CG1 4.18Å; A124-I250 HydrophobicContact CB-CG2 4.31Å; A124-I250 CarbonylContact O-C 3.58Å; A124-I250 WeakPolarHBondContact O-CA 3.29Å; A124-L251 PolarHBondContact O-N 3.3Å
125V94.4Very high88.8Confident0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-128.9146.2179.6-56.10000110.5L135 M136 L251 Y254 F256 V278V125-L135 CarbonylContact O-C 3.53Å; V125-M136 HydrophobicContact CG2-CB 3.86Å; V125-M136 PolarHBondContact N-O 2.78Å; V125-M136 PolarHBondContact O-N 3.37Å; V125-L251 CarbonylContact C-O 3.59Å; V125-L251 WeakPolarHBondContact CA-O 3.47Å; V125-L251 HydrophobicContact CG1-CB 4.38Å; V125-Y254 WeakPolarHBondContact CB-O 3.24Å; V125-F256 HydrophobicContact CG1-CE1 4.33Å; V125-F256 HydrophobicContact CG1-CE2 4.38Å; V125-F256 HydrophobicContact CG1-CZ 4.13Å; V125-F256 HydrophobicContact CG2-CD2 3.65Å; V125-F256 HydrophobicContact CG2-CE2 3.64Å; V125-F256 HydrophobicContact CG2-CG 4.25Å; V125-F256 HydrophobicContact CG2-CZ 4.22Å; V125-V278 HydrophobicContact CG1-CB 4.29Å; V125-V278 HydrophobicContact CG1-CG1 3.56Å
126V92.9Very high90.3Very high1 Ų147.2 Ų47.21%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-115.5122.5172.7-1770000109.2C134 L135 I198 W207 I250 L251 W252 G253 Y254V126-C134 WeakPolarHBondContact CA-O 3.42Å; V126-L135 HydrophobicContact CG2-CB 4.35Å; V126-L135 HydrophobicContact CG2-CD1 3.69Å; V126-I198 HydrophobicContact CG1-CD1 4.21Å; V126-W207 HydrophobicContact CG2-CH2 4.44Å; V126-W207 HydrophobicContact CG2-CZ3 4.29Å; V126-I250 HydrophobicContact CG2-CG2 3.71Å; V126-L251 PolarHBondContact N-O 2.97Å; V126-W252 HydrophobicContact CB-CD2 4.11Å; V126-W252 HydrophobicContact CB-CE3 3.62Å; V126-W252 HydrophobicContact CB-CZ3 4.02Å; V126-W252 HydrophobicContact CG1-CD2 4.05Å; V126-W252 HydrophobicContact CG1-CE3 3.55Å; V126-W252 HydrophobicContact CG1-CH2 3.84Å; V126-W252 HydrophobicContact CG1-CZ2 4.29Å; V126-W252 HydrophobicContact CG1-CZ3 3.45Å; V126-W252 VanDerWaalsContact CG1-CZ3 3.45Å; V126-W252 HydrophobicContact CG2-CE3 3.96Å; V126-W252 HydrophobicContact CG2-CZ3 4.23Å; V126-G253 WeakPolarHBondContact O-CA 3.37Å; V126-G253 PolarHBondContact O-N 2.88Å; V126-Y254 PolarHBondContact O-N 3.45Å
127S91.1Very high91.4Very high7 Ų740 Ų405%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-141.6171.8174.868.20000111C134 M136 Y254S127-C134 PolarHBondContact N-O 3.14Å; S127-C134 VanDerWaalsContact N-O 3.15Å; S127-C134 PolarHBondContact O-N 3.41Å; S127-M136 WeakPolarHBondContact OG-CE 3.45Å; S127-Y254 WeakPolarHBondContact CB-O 3.33Å
128F87.9Confident91.9Very high65 Ų6538.9 Ų38.929%0.28520%0.196SC..EExtended strand (participates in β ladder)trans-89.9117.7176.3-75.4-97.2000109.9R132 P133 P285F128-R132 CarbonylContact C-O 3.57Å; F128-R132 WeakPolarHBondContact CA-O 3.46Å; F128-P133 HydrophobicContact CE1-CB 4.24Å; F128-P133 HydrophobicContact CE1-CG 4.5Å; F128-P133 HydrophobicContact CZ-CB 4.38Å; F128-P285 HydrophobicContact CD2-CB 4.47Å; F128-P285 HydrophobicContact CE2-CB 3.71Å; F128-P285 HydrophobicContact CZ-CB 4.43Å
129H82.8Confident92.1Very high64 Ų6438.3 Ų38.330%0.29619%0.193SC..EExtended strand (participates in β ladder)trans-112.9124.1171.5-169.6-106.5000108.7G131 R132 C134 M136H129-G131 PolarHBondContact O-N 2.88Å; H129-G131 VanDerWaalsContact O-N 3.13Å; H129-R132 PolarHBondContact N-O 2.78Å; H129-R132 PolarHBondContact O-N 3.31Å; H129-C134 HydrophobicContact CB-CB 4.27Å; H129-M136 HydrophobicContact CB-CE 3.89Å
130E82.7Confident92.1Very high147 Ų14735.1 Ų35.169%0.68718%0.179SC*.THydrogen-bonded Turntrans51.235.8-175.6-57.4-177.5147.900113.9R132E130-R132 VanDerWaalsContact C-N 3.25Å; E130-R132 PolarHBondContact O-N 3.02Å; E130-R132 IonicContact OE2-NH2 3.45Å; E130-R132 PolarHBondContact OE2-NH2 3.39Å
131G83.3Confident91.8Very high65 Ų6535 Ų3567%0.6718%0.179SC*.THydrogen-bonded Turntrans77.52.3-179.300000115.2H129H129-G131 PolarHBondContact O-N 2.88Å; H129-G131 VanDerWaalsContact O-N 3.13Å
132R88Confident91.4Very high117 Ų11738.4 Ų38.444%0.44220%0.196SC..EExtended strand (participates in β ladder)trans-108.3139.7175.3-64.6-179.1-70.3-170.9-3.1110.9F128 H129 E130 C134 I197F128-R132 CarbonylContact C-O 3.57Å; F128-R132 WeakPolarHBondContact CA-O 3.46Å; H129-R132 PolarHBondContact N-O 2.78Å; H129-R132 PolarHBondContact O-N 3.31Å; E130-R132 VanDerWaalsContact C-N 3.25Å; E130-R132 PolarHBondContact O-N 3.02Å; E130-R132 IonicContact OE2-NH2 3.45Å; E130-R132 PolarHBondContact OE2-NH2 3.39Å; R132-C134 PolarHBondContact O-N 3.22Å; R132-I197 HydrophobicContact CB-CG2 4.27Å
133P90.6Very high90.9Very high32 Ų3239.5 Ų39.521%0.20820%0.195CC..EExtended strand (participates in β ladder)trans-68.8125.4173.227.6-31.5000109.8F128 I198F128-P133 HydrophobicContact CE1-CB 4.24Å; F128-P133 HydrophobicContact CE1-CG 4.5Å; F128-P133 HydrophobicContact CZ-CB 4.38Å; P133-I198 HydrophobicContact CB-CB 4.44Å; P133-I198 HydrophobicContact CG-CB 4.18Å; P133-I198 WeakPolarHBondContact O-CB 3.27Å; P133-I198 PolarHBondContact O-N 3.36Å
134C93.3Very high90Very high1 Ų144.1 Ų44.11%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-126.5127.5-177.7-69.60000110V126 S127 H129 R132 M136 H196V126-C134 WeakPolarHBondContact CA-O 3.42Å; S127-C134 PolarHBondContact N-O 3.14Å; S127-C134 VanDerWaalsContact N-O 3.15Å; S127-C134 PolarHBondContact O-N 3.41Å; H129-C134 HydrophobicContact CB-CB 4.27Å; R132-C134 PolarHBondContact O-N 3.22Å; C134-M136 HydrophobicContact CB-CE 3.81Å; C134-M136 HydrophobicContact CB-CG 4.47Å; C134-H196 CarbonylContact C-O 3.57Å; C134-H196 VanDerWaalsContact CA-O 3.31Å; C134-H196 WeakPolarHBondContact CA-O 3.44Å
135L94.9Very high89.5Confident0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-81.2126.5167.1173.771.9000108.7A124 V125 V126 F177 Y195 H196 I198 L204 L224 I250A124-L135 HydrophobicContact CB-CD1 3.86Å; V125-L135 CarbonylContact O-C 3.53Å; V126-L135 HydrophobicContact CG2-CB 4.35Å; V126-L135 HydrophobicContact CG2-CD1 3.69Å; L135-F177 HydrophobicContact CD2-CE1 4.43Å; L135-F177 HydrophobicContact CD2-CZ 4Å; L135-Y195 CarbonylContact O-C 3.43Å; L135-Y195 WeakPolarHBondContact O-CA 3.43Å; L135-H196 HydrophobicContact CB-CB 4.35Å; L135-H196 PolarHBondContact N-O 2.96Å; L135-H196 PolarHBondContact O-N 3.34Å; L135-I198 HydrophobicContact CB-CD1 4.36Å; L135-L204 HydrophobicContact CD2-CD1 3.7Å; L135-L224 HydrophobicContact CD2-CD2 3.45Å; L135-L224 VanDerWaalsContact CD2-CD2 3.45Å; L135-I250 HydrophobicContact CD1-CG2 3.6Å
136M95.4Very high89Confident21 Ų2146.7 Ų46.710%0.10323%0.229CC..EExtended strand (participates in β ladder)trans-122.4142-175-53.2-178.2-173.200111.3A124 V125 S127 H129 C134 T193 F194 F256A124-M136 WeakPolarHBondContact CA-O 3.32Å; V125-M136 HydrophobicContact CG2-CB 3.86Å; V125-M136 PolarHBondContact N-O 2.78Å; V125-M136 PolarHBondContact O-N 3.37Å; S127-M136 WeakPolarHBondContact OG-CE 3.45Å; H129-M136 HydrophobicContact CB-CE 3.89Å; C134-M136 HydrophobicContact CB-CE 3.81Å; C134-M136 HydrophobicContact CB-CG 4.47Å; M136-T193 HydrophobicContact CB-CG2 3.83Å; M136-T193 HydrophobicContact CG-CG2 4.4Å; M136-T193 HydrophobicContact SD-CG2 4.39Å; M136-F194 CarbonylContact C-O 3.59Å; M136-F194 WeakPolarHBondContact CA-O 3.49Å; M136-F256 HydrophobicContact CB-CD2 4.2Å; M136-F256 HydrophobicContact CB-CE2 4.21Å
137I96.4Very high88.8Confident0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-135.4144.7175.355.4173.3000109A124 V152 F177 T193 F194 V226 Y245A124-I137 HydrophobicContact CB-CG2 3.77Å; I137-V152 HydrophobicContact CD1-CG1 3.72Å; I137-F177 HydrophobicContact CD1-CD1 3.81Å; I137-F177 HydrophobicContact CD1-CD2 4.49Å; I137-F177 HydrophobicContact CD1-CE1 3.54Å; I137-F177 HydrophobicContact CD1-CE2 4.25Å; I137-F177 HydrophobicContact CD1-CG 4.28Å; I137-F177 HydrophobicContact CD1-CZ 3.77Å; I137-F177 HydrophobicContact CG1-CD1 3.94Å; I137-F177 HydrophobicContact CG1-CE1 3.61Å; I137-F177 HydrophobicContact CG1-CZ 4.26Å; I137-F177 HydrophobicContact CG2-CE1 4.34Å; I137-T193 CarbonylContact O-C 3.46Å; I137-T193 WeakPolarHBondContact O-CA 3.5Å; I137-F194 HydrophobicContact CD1-CB 4.35Å; I137-F194 HydrophobicContact CG1-CB 3.95Å; I137-F194 PolarHBondContact N-O 3.2Å; I137-F194 PolarHBondContact O-N 3.47Å; I137-V226 HydrophobicContact CD1-CB 4.44Å; I137-V226 HydrophobicContact CD1-CG1 3.44Å; I137-V226 VanDerWaalsContact CD1-CG1 3.44Å; I137-V226 HydrophobicContact CD1-CG2 4.19Å; I137-Y245 HydrophobicContact CG2-CD2 4.39Å; I137-Y245 HydrophobicContact CG2-CE2 3.67Å
138R95Very high88.6Confident8 Ų849.5 Ų49.53%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-105.4138177.9-163.1179.1-80169.3-27.1110.5F120 S121 P191 L192 F256 P257 F274 F275F120-R138 CarbonylContact C-O 3.59Å; F120-R138 WeakPolarHBondContact CA-O 3.42Å; S121-R138 PolarHBondContact N-O 3.41Å; S121-R138 PolarHBondContact OG-N 2.91Å; R138-P191 HydrophobicContact CG-CB 4.35Å; R138-L192 WeakPolarHBondContact CA-O 3.34Å; R138-F256 HydrophobicContact CB-CD2 4.49Å; R138-F256 HydrophobicContact CB-CE1 4.41Å; R138-F256 HydrophobicContact CB-CE2 4.22Å; R138-F256 HydrophobicContact CB-CZ 4.19Å; R138-F256 VanDerWaalsContact NH2-CB 3.3Å; R138-P257 PolarHBondContact NH2-O 3.48Å; R138-F274 PolarHBondContact NH1-O 2.99Å; R138-F275 HydrophobicContact CB-CE2 4.19Å; R138-F275 HydrophobicContact CB-CZ 4.25Å; R138-F275 HydrophobicContact CG-CD2 4.1Å; R138-F275 HydrophobicContact CG-CE2 3.56Å; R138-F275 HydrophobicContact CG-CZ 4.12Å; R138-F275 PolarHBondContact NH1-O 3.33Å
139V94.6Very high88.5Confident0 Ų048.4 Ų48.40%025%0.25CS..EExtended strand (participates in β ladder)trans-128.7140.1178-167.50000109.1V118 K119 F120 V152 L188 P191 L192 F194 M228V118-V139 HydrophobicContact CG1-CG1 3.69Å; K119-V139 CarbonylContact O-C 3.59Å; K119-V139 WeakPolarHBondContact O-CA 3.17Å; F120-V139 HydrophobicContact CD1-CG1 4.48Å; F120-V139 HydrophobicContact CD1-CG2 3.71Å; F120-V139 HydrophobicContact CE1-CG1 4.34Å; F120-V139 HydrophobicContact CE1-CG2 3.73Å; V139-V152 HydrophobicContact CG2-CG2 4.42Å; V139-L188 HydrophobicContact CB-CD1 4.49Å; V139-L188 HydrophobicContact CG1-CD2 3.99Å; V139-P191 CarbonylContact O-C 3.58Å; V139-P191 WeakPolarHBondContact O-CA 3.23Å; V139-L192 PolarHBondContact N-O 3Å; V139-L192 PolarHBondContact O-N 2.92Å; V139-F194 HydrophobicContact CB-CD2 4.21Å; V139-F194 HydrophobicContact CB-CE2 4.06Å; V139-F194 HydrophobicContact CG2-CD2 3.75Å; V139-F194 HydrophobicContact CG2-CE2 4.01Å; V139-M228 HydrophobicContact CG1-SD 3.63Å
140A92.5Very high88.8Confident0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-140.7148.2175.400000112.4V118 K119 P191 F272 F275V118-A140 CarbonylContact C-O 3.49Å; V118-A140 WeakPolarHBondContact CA-O 3.4Å; K119-A140 PolarHBondContact N-O 3.4Å; K119-A140 PolarHBondContact O-N 3.44Å; A140-P191 HydrophobicContact CB-CB 4.04Å; A140-P191 HydrophobicContact CB-CG 3.91Å; A140-F272 HydrophobicContact CB-CE1 3.69Å; A140-F272 HydrophobicContact CB-CZ 4.13Å; A140-F275 HydrophobicContact CB-CD2 4.07Å; A140-F275 HydrophobicContact CB-CE2 3.4Å; A140-F275 VanDerWaalsContact CB-CE2 3.4Å; A140-F275 HydrophobicContact CB-CZ 4.03Å
141N90.9Very high89.3Confident16 Ų1643.8 Ų43.89%0.08623%0.229CC..EExtended strand (participates in β ladder)trans-93.4115.9167.6179.815.7000109R114 R143 S145 L147 L188R114-N141 PolarHBondContact NH1-OD1 3.37Å; N141-R143 PolarHBondContact ND2-O 3.38Å; N141-R143 VanDerWaalsContact ND2-O 3.08Å; N141-R143 PolarHBondContact O-N 3.25Å; N141-R143 PolarHBondContact OD1-N 2.84Å; N141-R143 PolarHBondContact OD1-O 3.2Å; N141-S145 PolarHBondContact ND2-O 3.49Å; N141-L147 HydrophobicContact CB-CD1 4.28Å; N141-L188 HydrophobicContact CB-CD2 4.11Å; N141-L188 HydrophobicContact CB-CG 4.2Å; N141-L188 WeakPolarHBondContact CB-O 3.34Å
142M86.8Confident89.8Confident75 Ų7540.9 Ų40.937%0.36920%0.198SC..  trans-80.41-177.6-57.4-63.3-68.400113T117 K119 F272T117-M142 VanDerWaalsContact O-CB 3.29Å; T117-M142 WeakPolarHBondContact O-CB 3.49Å; T117-M142 WeakPolarHBondContact O-CG 3.48Å; T117-M142 PolarHBondContact O-N 3.32Å; K119-M142 HydrophobicContact CB-CG 3.95Å; K119-M142 HydrophobicContact CB-SD 3.95Å; K119-M142 HydrophobicContact CD-SD 4.12Å; M142-F272 HydrophobicContact CE-CD1 4.08Å; M142-F272 HydrophobicContact CE-CE1 4.13Å; M142-F272 HydrophobicContact SD-CD1 3.8Å; M142-F272 HydrophobicContact SD-CE1 3.32Å; M142-F272 WeakPolarHBondContact SD-CE1 3.45Å; M142-F272 HydrophobicContact SD-CZ 4.01Å
143R83.9Confident90.1Very high149 Ų14937.8 Ų37.856%0.56219%0.193SC*.SBendtrans-127.3152.3-178.4-177.3174.9-178.3-166.2-0.1110.6R114 N141 S145R114-R143 VanDerWaalsContact NH1-CB 3.33Å; N141-R143 PolarHBondContact ND2-O 3.38Å; N141-R143 VanDerWaalsContact ND2-O 3.08Å; N141-R143 PolarHBondContact O-N 3.25Å; N141-R143 PolarHBondContact OD1-N 2.84Å; N141-R143 PolarHBondContact OD1-O 3.2Å; R143-S145 WeakPolarHBondContact CD-OG 3.31Å; R143-S145 WeakPolarHBondContact CG-OG 3.41Å; R143-S145 PolarHBondContact NE-OG 2.99Å; R143-S145 PolarHBondContact O-N 3.25Å
144K77.5Confident90.3Very high159 Ų15936.4 Ų36.469%0.69118%0.184SC*.SBendtrans-66.7-28.2-179.2-62.1-173.4178.4-176.90115.1
145S83.8Confident90.4Very high24 Ų2439.3 Ų39.317%0.16820%0.196CC..SBendtrans-66.9141.4178.247.70000110.4R114 N141 R143R114-S145 PolarHBondContact NH2-O 3.48Å; R114-S145 PolarHBondContact NH2-OG 3.37Å; N141-S145 PolarHBondContact ND2-O 3.49Å; R143-S145 WeakPolarHBondContact CD-OG 3.31Å; R143-S145 WeakPolarHBondContact CG-OG 3.41Å; R143-S145 PolarHBondContact NE-OG 2.99Å; R143-S145 PolarHBondContact O-N 3.25Å
146L84.9Confident90.4Very high30 Ų3039.6 Ų39.616%0.15720%0.198CC..  trans-75.6157.9-171.5-166.556.2000112.2L148 F187 I189 E233L146-L148 HydrophobicContact CD2-CD2 3.51Å; L146-L148 HydrophobicContact CG-CD2 3.92Å; L146-F187 HydrophobicContact CD1-CD1 4.35Å; L146-F187 HydrophobicContact CD2-CD1 4.17Å; L146-F187 HydrophobicContact CD2-CE1 4.36Å; L146-I189 HydrophobicContact CD1-CD1 4.37Å; L146-I189 HydrophobicContact CD1-CG1 3.73Å; L146-E233 HydrophobicContact CB-CB 4.21Å; L146-E233 WeakPolarHBondContact CB-OE2 3.5Å; L146-E233 PolarHBondContact N-OE2 2.93Å
147L87.8Confident90.2Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-120.3121.3166.3-67.4175.8000107.1V118 N141 C150 L188 M228 A230 V232V118-L147 HydrophobicContact CG2-CD1 3.64Å; N141-L147 HydrophobicContact CB-CD1 4.28Å; L147-C150 PolarHBondContact O-SG 2.94Å; L147-L188 HydrophobicContact CD1-CD2 4.39Å; L147-M228 HydrophobicContact CD1-CE 4.06Å; L147-A230 HydrophobicContact CB-CB 4.09Å; L147-A230 HydrophobicContact CD2-CB 4.43Å; L147-V232 HydrophobicContact CD2-CG2 4.14Å
148L87.1Confident89.8Confident66 Ų6641.7 Ų41.735%0.34621%0.208SC..EExtended strand (participates in β ladder)trans-98.2151.9-178.5-58.9175.8000109.6L146 C150 F187 A230 T231 E233L146-L148 HydrophobicContact CD2-CD2 3.51Å; L146-L148 HydrophobicContact CG-CD2 3.92Å; L148-C150 VanDerWaalsContact C-N 3.32Å; L148-C150 PolarHBondContact O-N 3.37Å; L148-F187 HydrophobicContact CD2-CE1 4.25Å; L148-A230 CarbonylContact O-C 3.59Å; L148-T231 PolarHBondContact N-O 3.24Å; L148-T231 PolarHBondContact O-N 2.65Å; L148-E233 HydrophobicContact CD1-CB 4.39Å
149G86.3Confident89.2Confident42 Ų4244.4 Ų44.443%0.43323%0.226SC..EExtended strand (participates in β ladder)trans6335.9173.600000113.7Q151G149-Q151 PolarHBondContact O-N 3.49Å
150C89.8Confident88.1Confident1 Ų146.5 Ų46.51%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-67.3116.5-176.4-66.30000110.4L147 L148 P186 S229L147-C150 PolarHBondContact O-SG 2.94Å; L148-C150 VanDerWaalsContact C-N 3.32Å; L148-C150 PolarHBondContact O-N 3.37Å; C150-P186 HydrophobicContact CB-CG 4.47Å; C150-P186 WeakPolarHBondContact O-CD 3.3Å; C150-S229 CarbonylContact C-O 3.52Å; C150-S229 WeakPolarHBondContact CA-O 3.43Å
151Q92Very high87.3Confident113 Ų11352.7 Ų52.753%0.52827%0.272SS..EExtended strand (participates in β ladder)trans-126.4131.9176.9-172.3-178.1-0.800109.5G149 T153 M228 S229G149-Q151 PolarHBondContact O-N 3.49Å; Q151-T153 HydrophobicContact CG-CG2 4.34Å; Q151-M228 CarbonylContact O-C 3.58Å; Q151-M228 VanDerWaalsContact O-CA 3.3Å; Q151-M228 WeakPolarHBondContact O-CA 3.43Å; Q151-S229 PolarHBondContact N-O 2.86Å; Q151-S229 PolarHBondContact O-N 3.38Å
152V93.9Very high86.2Confident5 Ų553.5 Ų53.53%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-110.6133176.5-179.30000109.4I137 V139 F177 F194 V226 I227 M228I137-V152 HydrophobicContact CD1-CG1 3.72Å; V139-V152 HydrophobicContact CG2-CG2 4.42Å; V152-F177 HydrophobicContact CB-CB 4.22Å; V152-F177 HydrophobicContact CG1-CB 4.07Å; V152-F177 HydrophobicContact CG1-CD2 4.19Å; V152-F177 HydrophobicContact CG1-CG 4.1Å; V152-F194 HydrophobicContact CB-CD1 3.76Å; V152-F194 HydrophobicContact CB-CE1 4.04Å; V152-F194 HydrophobicContact CB-CG 4.03Å; V152-F194 HydrophobicContact CG2-CD1 3.69Å; V152-F194 HydrophobicContact CG2-CD2 3.82Å; V152-F194 HydrophobicContact CG2-CE1 3.61Å; V152-F194 HydrophobicContact CG2-CE2 3.74Å; V152-F194 HydrophobicContact CG2-CG 3.79Å; V152-F194 HydrophobicContact CG2-CZ 3.63Å; V152-V226 HydrophobicContact CG1-CG1 3.72Å; V152-I227 WeakPolarHBondContact CA-O 3.3Å; V152-M228 HydrophobicContact CG2-CB 4.16Å; V152-M228 HydrophobicContact CG2-CG 3.92Å
153T94.5Very high85.3Confident52 Ų5259.8 Ų59.832%0.31930%0.303SS..EExtended strand (participates in β ladder)trans-136142.5179.456.50000109.5Q151 I227Q151-T153 HydrophobicContact CG-CG2 4.34Å; T153-I227 PolarHBondContact N-O 2.91Å; T153-I227 PolarHBondContact O-N 3.48Å; T153-I227 PolarHBondContact OG1-O 3.48Å
154G95.9Very high84.7Confident2 Ų259.7 Ų59.72%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-110.9153175.400000112.4V175 L225G154-V175 WeakPolarHBondContact CA-O 3.39Å; G154-V175 PolarHBondContact N-O 2.9Å; G154-V175 PolarHBondContact O-N 3.41Å; G154-L225 CarbonylContact C-O 3.6Å; G154-L225 VanDerWaalsContact CA-O 3.27Å; G154-L225 WeakPolarHBondContact CA-O 3.42Å
155K95.3Very high84Confident63 Ų6354.7 Ų54.727%0.27430%0.303SS..EExtended strand (participates in β ladder)trans-131.6116.8171-66.7-72.6-171161.80107.8L157 R173 N174 L225K155-L157 HydrophobicContact CB-CD2 4.32Å; K155-R173 CarbonylContact C-O 3.53Å; K155-R173 WeakPolarHBondContact CA-O 3.3Å; K155-N174 WeakPolarHBondContact CD-OD1 3Å; K155-N174 WeakPolarHBondContact CE-OD1 3.33Å; K155-N174 PolarHBondContact NZ-OD1 2.9Å; K155-L225 HydrophobicContact CB-CB 4.26Å; K155-L225 PolarHBondContact N-O 2.92Å; K155-L225 PolarHBondContact O-N 3.4Å
156L93.6Very high82.8Confident5 Ų562 Ų623%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-81116.9170.1-166.872.4000108.1Q172 R173 V175 P203 L204 F222 L224L156-Q172 WeakPolarHBondContact O-CA 3.23Å; L156-R173 HydrophobicContact CB-CB 4.43Å; L156-R173 PolarHBondContact N-O 3.42Å; L156-R173 PolarHBondContact O-N 2.97Å; L156-V175 HydrophobicContact CB-CG2 4.01Å; L156-P203 HydrophobicContact CB-CG 4.41Å; L156-P203 HydrophobicContact CD2-CB 3.79Å; L156-P203 HydrophobicContact CD2-CG 4.22Å; L156-L204 HydrophobicContact CD1-CD2 3.6Å; L156-L204 HydrophobicContact CD1-CG 4.32Å; L156-L204 HydrophobicContact CD2-CD2 4.2Å; L156-F222 HydrophobicContact CD1-CB 4.04Å; L156-F222 HydrophobicContact CD1-CD2 3.27Å; L156-F222 HydrophobicContact CD1-CE2 3.8Å; L156-F222 HydrophobicContact CD1-CG 3.74Å; L156-F222 HydrophobicContact CG-CB 4.34Å; L156-F222 HydrophobicContact CG-CD2 4.41Å; L156-F222 HydrophobicContact CG-CG 4.5Å; L156-L224 HydrophobicContact CD1-CD1 4.45Å
157L91.5Very high81.8Confident23 Ų2364.4 Ų64.412%0.1235%0.35CS..EExtended strand (participates in β ladder)trans-100.4116.3177.8-52.7-179.7000107.5K155 L170 D171 Q172 F222 E223 L225K155-L157 HydrophobicContact CB-CD2 4.32Å; L157-L170 HydrophobicContact CB-CD1 4.09Å; L157-L170 HydrophobicContact CB-CD2 4.28Å; L157-L170 HydrophobicContact CB-CG 4.28Å; L157-L170 HydrophobicContact CD1-CD2 4.42Å; L157-L170 HydrophobicContact CD2-CD2 4.36Å; L157-D171 WeakPolarHBondContact CA-O 3.38Å; L157-Q172 HydrophobicContact CD2-CB 4.19Å; L157-Q172 HydrophobicContact CD2-CG 3.62Å; L157-F222 CarbonylContact O-C 3.53Å; L157-F222 VanDerWaalsContact O-CA 3.23Å; L157-F222 WeakPolarHBondContact O-CA 3.32Å; L157-F222 WeakPolarHBondContact O-CB 3.47Å; L157-E223 HydrophobicContact CB-CB 4.4Å; L157-E223 WeakPolarHBondContact CB-O 3.49Å; L157-E223 PolarHBondContact N-O 2.9Å; L157-E223 PolarHBondContact O-N 3.39Å; L157-L225 HydrophobicContact CD1-CB 4.11Å; L157-L225 HydrophobicContact CG-CB 4.41Å
158Q87.2Confident81.1Confident43 Ų4369.5 Ų69.520%0.20138%0.381CS..EExtended strand (participates in β ladder)trans-132138.7179.8-177.6167.437.300110.4S160 D171 D221 F222Q158-S160 PolarHBondContact O-N 2.89Å; Q158-D171 PolarHBondContact N-O 3.14Å; Q158-D171 PolarHBondContact O-N 3.45Å; Q158-D221 WeakPolarHBondContact CG-O 3.18Å; Q158-F222 HydrophobicContact CB-CB 4.4Å
159T82.6Confident80.6Confident65 Ų6574.9 Ų74.940%0.39940%0.397SS..EExtended strand (participates in β ladder)trans-73.1125.5175.2-54.30000109.5V168T159-V168 HydrophobicContact CG2-CG1 3.14Å
160S72.4Confident80.4Confident43 Ų4377.2 Ų77.230%0.30140%0.399SS..EExtended strand (participates in β ladder)trans-125.4136.3177.663.50000110.4Q158 R169Q158-S160 PolarHBondContact O-N 2.89Å; S160-R169 PolarHBondContact N-O 3Å; S160-R169 PolarHBondContact O-N 3.2Å; S160-R169 PolarHBondContact OG-O 2.89Å
161L75.1Confident80.3Confident130 Ų13079.6 Ų79.668%0.68141%0.412SS*.EExtended strand (participates in β ladder)trans-83.4134.2169-77.6155.1000108.7V168L161-V168 HydrophobicContact CD2-CG2 4.28Å
162T68.3Low80.2Confident33 Ų3379.6 Ų79.620%0.20241%0.412CS..  trans-59.7151.6170.450.10000110.4E164 G165 T167T162-E164 WeakPolarHBondContact CB-OE2 3.46Å; T162-E164 PolarHBondContact O-N 2.87Å; T162-G165 PolarHBondContact O-N 2.98Å; T162-T167 VanDerWaalsContact CG2-OG1 3.24Å; T162-T167 WeakPolarHBondContact CG2-OG1 3.13Å; T162-T167 PolarHBondContact N-O 3.46Å; T162-T167 PolarHBondContact OG1-N 3.29Å; T162-T167 PolarHBondContact OG1-O 3.37Å
163K66.9Low80.2Confident207 Ų20784.6 Ų84.690%0.943%0.43SS*.THydrogen-bonded Turntrans-59.8-21178.1-68.1-177.9177.6-179.40112.1
164E73.3Confident80.2Confident147 Ų14787.2 Ų87.269%0.68744%0.442SS*.THydrogen-bonded Turntrans-88.81.3177.6-56.873-157.400113.4T162 E166T162-E164 WeakPolarHBondContact CB-OE2 3.46Å; T162-E164 PolarHBondContact O-N 2.87Å; E164-E166 PolarHBondContact O-N 3.18Å
165G62.6Low80.1Confident54 Ų5487.1 Ų87.156%0.55744%0.441SS*.SBendtrans73-10.3170.400000117.5T162T162-G165 PolarHBondContact O-N 2.98Å
166E58.5Low80.1Confident177 Ų17787.8 Ų87.883%0.82745%0.452SS*.SBendtrans-92.4-21.1-168.9-78.9-172.7152.600116.2E164E164-E166 PolarHBondContact O-N 3.18Å
167T63.6Low80.1Confident81 Ų8188.6 Ų88.650%0.49746%0.455SS..  trans-133.2131.9-175.862.90000113.7T162T162-T167 VanDerWaalsContact CG2-OG1 3.24Å; T162-T167 WeakPolarHBondContact CG2-OG1 3.13Å; T162-T167 PolarHBondContact N-O 3.46Å; T162-T167 PolarHBondContact OG1-N 3.29Å; T162-T167 PolarHBondContact OG1-O 3.37Å
168V72.6Confident80Confident107 Ų10792.1 Ų92.165%0.64847%0.471SS*.EExtended strand (participates in β ladder)trans-79.6117.1171.2-179.40000108.1T159 L161T159-V168 HydrophobicContact CG2-CG1 3.14Å; L161-V168 HydrophobicContact CD2-CG2 4.28Å
169R77.3Confident80.2Confident179 Ų17991.1 Ų91.168%0.67547%0.468SS*.EExtended strand (participates in β ladder)trans-119.9134.2-178.3-154.9177.4178.1157.50.1110.3S160 D171S160-R169 PolarHBondContact N-O 3Å; S160-R169 PolarHBondContact O-N 3.2Å; S160-R169 PolarHBondContact OG-O 2.89Å; R169-D171 PolarHBondContact O-N 3.15Å
170L82.6Confident80.1Confident91 Ų9193.3 Ų93.348%0.47648%0.477SS..EExtended strand (participates in β ladder)trans-80.9103175.5-166.970.9000109.5L157L157-L170 HydrophobicContact CB-CD1 4.09Å; L157-L170 HydrophobicContact CB-CD2 4.28Å; L157-L170 HydrophobicContact CB-CG 4.28Å; L157-L170 HydrophobicContact CD1-CD2 4.42Å; L157-L170 HydrophobicContact CD2-CD2 4.36Å
171D86.8Confident80.1Confident52 Ų5294.3 Ų94.328%0.27848%0.482SS..EExtended strand (participates in β ladder)trans-72.7140172.7-171.220000109.6L157 Q158 R169 R173L157-D171 WeakPolarHBondContact CA-O 3.38Å; Q158-D171 PolarHBondContact N-O 3.14Å; Q158-D171 PolarHBondContact O-N 3.45Å; R169-D171 PolarHBondContact O-N 3.15Å; D171-R173 IonicContact OD2-CZ 3.19Å; D171-R173 IonicContact OD2-NE 2.77Å; D171-R173 PolarHBondContact OD2-NE 3.46Å; D171-R173 IonicContact OD2-NH2 2.79Å; D171-R173 PolarHBondContact OD2-NH2 3.33Å
172Q90.7Very high79.5Confident112 Ų11294.7 Ų94.752%0.52350%0.495SS..EExtended strand (participates in β ladder)trans-127.8105.9-176.5-55.1-170.420.400110L156 L157L156-Q172 WeakPolarHBondContact O-CA 3.23Å; L157-Q172 HydrophobicContact CD2-CB 4.19Å; L157-Q172 HydrophobicContact CD2-CG 3.62Å
173R92.4Very high79.5Confident110 Ų11095.7 Ų95.742%0.41550%0.503SS..EExtended strand (participates in β ladder)trans-106.8140.5179.9-59.7-177.5-167.71569.7111.2K155 L156 D171 P203K155-R173 CarbonylContact C-O 3.53Å; K155-R173 WeakPolarHBondContact CA-O 3.3Å; L156-R173 HydrophobicContact CB-CB 4.43Å; L156-R173 PolarHBondContact N-O 3.42Å; L156-R173 PolarHBondContact O-N 2.97Å; D171-R173 IonicContact OD2-CZ 3.19Å; D171-R173 IonicContact OD2-NE 2.77Å; D171-R173 PolarHBondContact OD2-NE 3.46Å; D171-R173 IonicContact OD2-NH2 2.79Å; D171-R173 PolarHBondContact OD2-NH2 3.33Å; R173-P203 HydrophobicContact CB-CB 3.94Å; R173-P203 HydrophobicContact CB-CG 4.27Å
174N94.7Very high79.4Confident107 Ų10793.4 Ų93.457%0.57250%0.501SS*.EExtended strand (participates in β ladder)trans-73.5137.9179.8-68.8-25.7000111.3K155K155-N174 WeakPolarHBondContact CD-OD1 3Å; K155-N174 WeakPolarHBondContact CE-OD1 3.33Å; K155-N174 PolarHBondContact NZ-OD1 2.9Å
175V95.1Very high79.4Confident1 Ų188.9 Ų88.91%0.00649%0.486CS..EExtended strand (participates in β ladder)trans-122.999.5172.7-177.60000108G154 L156 F177 H196 P203 L224G154-V175 WeakPolarHBondContact CA-O 3.39Å; G154-V175 PolarHBondContact N-O 2.9Å; G154-V175 PolarHBondContact O-N 3.41Å; L156-V175 HydrophobicContact CB-CG2 4.01Å; V175-F177 HydrophobicContact CG1-CE2 4Å; V175-F177 HydrophobicContact CG1-CZ 4.46Å; V175-H196 HydrophobicContact CG1-CB 3.98Å; V175-H196 VanDerWaalsContact CG1-CG 3.45Å; V175-P203 HydrophobicContact CG2-CG 3.63Å; V175-L224 HydrophobicContact CB-CD1 4.26Å; V175-L224 HydrophobicContact CG1-CD1 4.45Å; V175-L224 HydrophobicContact CG2-CD1 3.98Å
176P93.6Very high80.3Confident77 Ų7786.4 Ų86.450%0.546%0.46SS..EExtended strand (participates in β ladder)trans-73.6129.4-178.628.5-33.6000111.1H196P176-H196 WeakPolarHBondContact O-CB 3.36Å; P176-H196 PolarHBondContact O-ND1 2.97Å
177F93.5Very high81.2Confident21 Ų2184.1 Ų84.19%0.09245%0.447CS..  trans-103.2144.2172.7-79-90.9000110.6L135 I137 V152 V175 F194 Y195 H196 L224 V226L135-F177 HydrophobicContact CD2-CE1 4.43Å; L135-F177 HydrophobicContact CD2-CZ 4Å; I137-F177 HydrophobicContact CD1-CD1 3.81Å; I137-F177 HydrophobicContact CD1-CD2 4.49Å; I137-F177 HydrophobicContact CD1-CE1 3.54Å; I137-F177 HydrophobicContact CD1-CE2 4.25Å; I137-F177 HydrophobicContact CD1-CG 4.28Å; I137-F177 HydrophobicContact CD1-CZ 3.77Å; I137-F177 HydrophobicContact CG1-CD1 3.94Å; I137-F177 HydrophobicContact CG1-CE1 3.61Å; I137-F177 HydrophobicContact CG1-CZ 4.26Å; I137-F177 HydrophobicContact CG2-CE1 4.34Å; V152-F177 HydrophobicContact CB-CB 4.22Å; V152-F177 HydrophobicContact CG1-CB 4.07Å; V152-F177 HydrophobicContact CG1-CD2 4.19Å; V152-F177 HydrophobicContact CG1-CG 4.1Å; V175-F177 HydrophobicContact CG1-CE2 4Å; V175-F177 HydrophobicContact CG1-CZ 4.46Å; F177-F194 HydrophobicContact CB-CB 4.29Å; F177-F194 HydrophobicContact CD1-CB 4.08Å; F177-Y195 CarbonylContact C-O 3.55Å; F177-Y195 WeakPolarHBondContact CA-O 3.44Å; F177-H196 HydrophobicContact CD1-CB 4.09Å; F177-H196 HydrophobicContact CE1-CB 3.99Å; F177-H196 HydrophobicContact CG-CB 4.47Å; F177-H196 HydrophobicContact CZ-CB 4.31Å; F177-L224 HydrophobicContact CZ-CD2 4.46Å; F177-V226 HydrophobicContact CE2-CG2 4.3Å; F177-V226 HydrophobicContact CZ-CG2 4.39Å
178Q91.3Very high82.3Confident97 Ų9780.3 Ų80.345%0.45342%0.424SS..BIsolated β-bridgetrans-124.2167.7178.9-60.5177.82400109.5F194 Y195Q178-F194 CarbonylContact O-C 3.57Å; Q178-F194 VanDerWaalsContact O-CA 3.28Å; Q178-F194 WeakPolarHBondContact O-CA 3.49Å; Q178-Y195 HydrophobicContact CB-CE2 4.12Å; Q178-Y195 PolarHBondContact N-O 3.39Å; Q178-Y195 PolarHBondContact O-N 3Å
179V89.5Confident82.9Confident23 Ų2378 Ų7814%0.13941%0.407CS..  trans-142.4148178.764.90000108.1T181 P186 F194V179-T181 PolarHBondContact O-N 3.49Å; V179-P186 HydrophobicContact CG1-CB 4.12Å; V179-P186 HydrophobicContact CG1-CG 3.83Å; V179-P186 HydrophobicContact CG2-CB 4.46Å; V179-P186 HydrophobicContact CG2-CG 4.47Å; V179-F194 HydrophobicContact CB-CD1 3.94Å; V179-F194 HydrophobicContact CB-CE1 3.97Å; V179-F194 HydrophobicContact CG1-CE1 4.31Å; V179-F194 HydrophobicContact CG2-CE1 4.44Å
180D80.6Confident83.4Confident110 Ų11072 Ų7259%0.58839%0.388SS*.SBendtrans-74.963.8178.1-61-42.1000111.1Y195D180-Y195 WeakPolarHBondContact OD1-CE1 3.36Å; D180-Y195 VanDerWaalsContact OD1-CZ 3.26Å; D180-Y195 PolarHBondContact OD1-OH 3.43Å
181T73.3Confident83.8Confident65 Ų6568.3 Ų68.340%0.39937%0.37SS..SBendtrans-135.5145.6176.5-570000108.4V179 S183 P186V179-T181 PolarHBondContact O-N 3.49Å; T181-S183 PolarHBondContact O-N 3.32Å; T181-P186 HydrophobicContact CG2-CB 4.5Å
182S62.9Low84.1Confident137 Ų13767.3 Ų67.396%0.95836%0.364SS*.SBendtrans-67.51.117856.40000114.4
183S68.5Low84.2Confident54 Ų5464 Ų6438%0.37835%0.352SS..SBendtrans-134.9141.2-1761740000110.2T181 S185T181-S183 PolarHBondContact O-N 3.32Å; S183-S185 PolarHBondContact O-N 2.9Å; S183-S185 VanDerWaalsContact O-N 3.09Å; S183-S185 PolarHBondContact OG-N 2.96Å; S183-S185 PolarHBondContact OG-OG 3.46Å
184D65.3Low84.3Confident160 Ų16059.1 Ų59.186%0.85633%0.333SS*.SBendtrans-64.9-7.9176.4-67.4-31.4000113.5
185S73.3Confident84.3Confident51 Ų5155.3 Ų55.336%0.35731%0.311SS..SBendtrans-125.784.5176.963.30000111.7S183S183-S185 PolarHBondContact O-N 2.9Å; S183-S185 VanDerWaalsContact O-N 3.09Å; S183-S185 PolarHBondContact OG-N 2.96Å; S183-S185 PolarHBondContact OG-OG 3.46Å
186P80.6Confident84.2Confident3 Ų355.6 Ų55.62%0.01931%0.313CS..  trans-66.1152.5176.931.4-41.9000112.4C150 V179 T181 L188 L192 F194C150-P186 HydrophobicContact CB-CG 4.47Å; C150-P186 WeakPolarHBondContact O-CD 3.3Å; V179-P186 HydrophobicContact CG1-CB 4.12Å; V179-P186 HydrophobicContact CG1-CG 3.83Å; V179-P186 HydrophobicContact CG2-CB 4.46Å; V179-P186 HydrophobicContact CG2-CG 4.47Å; T181-P186 HydrophobicContact CG2-CB 4.5Å; P186-L188 PolarHBondContact O-N 3.06Å; P186-L192 HydrophobicContact CB-CD1 3.61Å; P186-L192 HydrophobicContact CG-CD1 4.07Å; P186-F194 HydrophobicContact CG-CE1 4Å; P186-F194 HydrophobicContact CG-CZ 3.8Å
187F78Confident84.3Confident129 Ų12953 Ų5357%0.56629%0.294SS*.  trans-83.1109.1170.9-69.1-81.6000110.4L146 L148 I189L146-F187 HydrophobicContact CD1-CD1 4.35Å; L146-F187 HydrophobicContact CD2-CD1 4.17Å; L146-F187 HydrophobicContact CD2-CE1 4.36Å; L148-F187 HydrophobicContact CD2-CE1 4.25Å; F187-I189 HydrophobicContact CB-CD1 4.25Å; F187-I189 HydrophobicContact CB-CG1 4.28Å; F187-I189 PolarHBondContact O-N 3.44Å
188L86.2Confident84.2Confident0 Ų052.5 Ų52.50%029%0.293CS..THydrogen-bonded Turntrans-80.757.9179.5-163.769.3000112.2V139 N141 L147 P186 L192 M228V139-L188 HydrophobicContact CB-CD1 4.49Å; V139-L188 HydrophobicContact CG1-CD2 3.99Å; N141-L188 HydrophobicContact CB-CD2 4.11Å; N141-L188 HydrophobicContact CB-CG 4.2Å; N141-L188 WeakPolarHBondContact CB-O 3.34Å; L147-L188 HydrophobicContact CD1-CD2 4.39Å; P186-L188 PolarHBondContact O-N 3.06Å; L188-L192 HydrophobicContact CD1-CB 3.96Å; L188-L192 HydrophobicContact CD1-CD1 3.9Å; L188-L192 HydrophobicContact CD1-CG 3.9Å; L188-M228 HydrophobicContact CD2-SD 4.01Å
189I84.9Confident84.2Confident58 Ų5851.4 Ų51.430%0.29729%0.29SS..THydrogen-bonded Turntrans-83.1-38.7175.7-61.7171.9000110.7L146 F187 V340 I342L146-I189 HydrophobicContact CD1-CD1 4.37Å; L146-I189 HydrophobicContact CD1-CG1 3.73Å; F187-I189 HydrophobicContact CB-CD1 4.25Å; F187-I189 HydrophobicContact CB-CG1 4.28Å; F187-I189 PolarHBondContact O-N 3.44Å; I189-V340 HydrophobicContact CG2-CG1 4.08Å; I189-I342 HydrophobicContact CG2-CD1 4.48Å; I189-I342 HydrophobicContact CG2-CG1 4.18Å
190I87.6Confident84.1Confident53 Ų5356.5 Ų56.527%0.27231%0.312SS..SBendtrans-113.9160.6173.653.6176.7000109.2L192 V260 I342I190-L192 HydrophobicContact CG1-CD2 4.34Å; I190-L192 PolarHBondContact O-N 3.28Å; I190-V260 HydrophobicContact CB-CG2 4.15Å; I190-V260 HydrophobicContact CD1-CG2 4.17Å; I190-V260 HydrophobicContact CG2-CG2 4.45Å; I190-I342 HydrophobicContact CG2-CD1 4.24Å
191P91.3Very high84.6Confident15 Ų1558.2 Ų58.210%0.09732%0.321CS..  trans-55.6129.2172.2-26.136.5000111.1R138 V139 A140 V259 A270 F272 F275R138-P191 HydrophobicContact CG-CB 4.35Å; V139-P191 CarbonylContact O-C 3.58Å; V139-P191 WeakPolarHBondContact O-CA 3.23Å; A140-P191 HydrophobicContact CB-CB 4.04Å; A140-P191 HydrophobicContact CB-CG 3.91Å; P191-V259 HydrophobicContact CB-CG1 4.32Å; P191-V259 HydrophobicContact CG-CG1 3.89Å; P191-A270 HydrophobicContact CG-CB 4.15Å; P191-F272 HydrophobicContact CG-CE1 4.26Å; P191-F272 HydrophobicContact CG-CZ 4.1Å; P191-F275 HydrophobicContact CB-CD2 4.04Å; P191-F275 HydrophobicContact CB-CE2 4.07Å; P191-F275 HydrophobicContact CG-CD2 4.22Å
192L92.2Very high85.4Confident30 Ų3055.5 Ų55.516%0.15731%0.305CS..EExtended strand (participates in β ladder)trans-115.4146.1177.6-64.9177.7000110R138 V139 P186 L188 I190 F194R138-L192 WeakPolarHBondContact CA-O 3.34Å; V139-L192 PolarHBondContact N-O 3Å; V139-L192 PolarHBondContact O-N 2.92Å; P186-L192 HydrophobicContact CB-CD1 3.61Å; P186-L192 HydrophobicContact CG-CD1 4.07Å; L188-L192 HydrophobicContact CD1-CB 3.96Å; L188-L192 HydrophobicContact CD1-CD1 3.9Å; L188-L192 HydrophobicContact CD1-CG 3.9Å; I190-L192 HydrophobicContact CG1-CD2 4.34Å; I190-L192 PolarHBondContact O-N 3.28Å; L192-F194 HydrophobicContact CB-CE2 4.08Å
193T93.4Very high86.8Confident44 Ų4450.5 Ų50.527%0.2727%0.269SS..EExtended strand (participates in β ladder)trans-100118172.5-55.50000108.1M136 I137 F256M136-T193 HydrophobicContact CB-CG2 3.83Å; M136-T193 HydrophobicContact CG-CG2 4.4Å; M136-T193 HydrophobicContact SD-CG2 4.39Å; I137-T193 CarbonylContact O-C 3.46Å; I137-T193 WeakPolarHBondContact O-CA 3.5Å; T193-F256 HydrophobicContact CG2-CD2 4.04Å
194F94.3Very high87.8Confident6 Ų648 Ų483%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-94.1142.8170.1-68.2-98.8000108.5M136 I137 V139 V152 F177 Q178 V179 P186 L192M136-F194 CarbonylContact C-O 3.59Å; M136-F194 WeakPolarHBondContact CA-O 3.49Å; I137-F194 HydrophobicContact CD1-CB 4.35Å; I137-F194 HydrophobicContact CG1-CB 3.95Å; I137-F194 PolarHBondContact N-O 3.2Å; I137-F194 PolarHBondContact O-N 3.47Å; V139-F194 HydrophobicContact CB-CD2 4.21Å; V139-F194 HydrophobicContact CB-CE2 4.06Å; V139-F194 HydrophobicContact CG2-CD2 3.75Å; V139-F194 HydrophobicContact CG2-CE2 4.01Å; V152-F194 HydrophobicContact CB-CD1 3.76Å; V152-F194 HydrophobicContact CB-CE1 4.04Å; V152-F194 HydrophobicContact CB-CG 4.03Å; V152-F194 HydrophobicContact CG2-CD1 3.69Å; V152-F194 HydrophobicContact CG2-CD2 3.82Å; V152-F194 HydrophobicContact CG2-CE1 3.61Å; V152-F194 HydrophobicContact CG2-CE2 3.74Å; V152-F194 HydrophobicContact CG2-CG 3.79Å; V152-F194 HydrophobicContact CG2-CZ 3.63Å; F177-F194 HydrophobicContact CB-CB 4.29Å; F177-F194 HydrophobicContact CD1-CB 4.08Å; Q178-F194 CarbonylContact O-C 3.57Å; Q178-F194 VanDerWaalsContact O-CA 3.28Å; Q178-F194 WeakPolarHBondContact O-CA 3.49Å; V179-F194 HydrophobicContact CB-CD1 3.94Å; V179-F194 HydrophobicContact CB-CE1 3.97Å; V179-F194 HydrophobicContact CG1-CE1 4.31Å; V179-F194 HydrophobicContact CG2-CE1 4.44Å; P186-F194 HydrophobicContact CG-CE1 4Å; P186-F194 HydrophobicContact CG-CZ 3.8Å; L192-F194 HydrophobicContact CB-CE2 4.08Å
195Y94.2Very high88.8Confident28 Ų2845.2 Ų45.211%0.1123%0.229CC..EExtended strand (participates in β ladder)trans-133.8148.3-179.662.6-91.5000112.9L135 F177 Q178 D180 I197L135-Y195 CarbonylContact O-C 3.43Å; L135-Y195 WeakPolarHBondContact O-CA 3.43Å; F177-Y195 CarbonylContact C-O 3.55Å; F177-Y195 WeakPolarHBondContact CA-O 3.44Å; Q178-Y195 HydrophobicContact CB-CE2 4.12Å; Q178-Y195 PolarHBondContact N-O 3.39Å; Q178-Y195 PolarHBondContact O-N 3Å; D180-Y195 WeakPolarHBondContact OD1-CE1 3.36Å; D180-Y195 VanDerWaalsContact OD1-CZ 3.26Å; D180-Y195 PolarHBondContact OD1-OH 3.43Å; Y195-I197 HydrophobicContact CD2-CG1 4.09Å; Y195-I197 HydrophobicContact CE2-CD1 4.28Å; Y195-I197 HydrophobicContact CE2-CG1 4.05Å
196H95Very high89.4Confident7 Ų745.5 Ų45.53%0.03223%0.234CC..EExtended strand (participates in β ladder)trans-113.2121.3171.2170.866.4000108.3C134 L135 V175 P176 F177 I198 S202C134-H196 CarbonylContact C-O 3.57Å; C134-H196 VanDerWaalsContact CA-O 3.31Å; C134-H196 WeakPolarHBondContact CA-O 3.44Å; L135-H196 HydrophobicContact CB-CB 4.35Å; L135-H196 PolarHBondContact N-O 2.96Å; L135-H196 PolarHBondContact O-N 3.34Å; V175-H196 HydrophobicContact CG1-CB 3.98Å; V175-H196 VanDerWaalsContact CG1-CG 3.45Å; P176-H196 WeakPolarHBondContact O-CB 3.36Å; P176-H196 PolarHBondContact O-ND1 2.97Å; F177-H196 HydrophobicContact CD1-CB 4.09Å; F177-H196 HydrophobicContact CE1-CB 3.99Å; F177-H196 HydrophobicContact CG-CB 4.47Å; F177-H196 HydrophobicContact CZ-CB 4.31Å; H196-I198 PolarHBondContact O-N 2.99Å; H196-S202 WeakPolarHBondContact NE2-CB 3.4Å; H196-S202 PolarHBondContact NE2-OG 2.99Å
197I93.8Very high89.6Confident21 Ų2146 Ų4611%0.10824%0.235CC..EExtended strand (participates in β ladder)trans-74121.4174.4-58.9169.2000107.7R132 Y195 D199R132-I197 HydrophobicContact CB-CG2 4.27Å; Y195-I197 HydrophobicContact CD2-CG1 4.09Å; Y195-I197 HydrophobicContact CE2-CD1 4.28Å; Y195-I197 HydrophobicContact CE2-CG1 4.05Å; I197-D199 VanDerWaalsContact C-N 3.35Å; I197-D199 HydrophobicContact CG2-CB 4.38Å; I197-D199 PolarHBondContact O-N 2.9Å; I197-D199 VanDerWaalsContact O-N 3.09Å
198I92.4Very high89.8Confident12 Ų1240.2 Ų40.26%0.06221%0.212CC..  trans-84.785177-52.6175.3000107.7V126 P133 L135 H196 R205 A208V126-I198 HydrophobicContact CG1-CD1 4.21Å; P133-I198 HydrophobicContact CB-CB 4.44Å; P133-I198 HydrophobicContact CG-CB 4.18Å; P133-I198 WeakPolarHBondContact O-CB 3.27Å; P133-I198 PolarHBondContact O-N 3.36Å; L135-I198 HydrophobicContact CB-CD1 4.36Å; H196-I198 PolarHBondContact O-N 2.99Å; I198-R205 HydrophobicContact CG2-CB 4.32Å; I198-A208 HydrophobicContact CD1-CB 3.98Å; I198-A208 HydrophobicContact CG2-CB 3.78Å
199D90.1Very high89.5Confident74 Ų7444.3 Ų44.340%0.39625%0.246SC..  trans-96.2-169.3177.870.83.9000112.4I197 N201 S202I197-D199 VanDerWaalsContact C-N 3.35Å; I197-D199 HydrophobicContact CG2-CB 4.38Å; I197-D199 PolarHBondContact O-N 2.9Å; I197-D199 VanDerWaalsContact O-N 3.09Å; D199-N201 PolarHBondContact O-N 3.37Å; D199-N201 WeakPolarHBondContact OD1-CA 3.22Å; D199-N201 WeakPolarHBondContact OD1-CB 3.36Å; D199-N201 PolarHBondContact OD1-N 3.46Å; D199-S202 WeakPolarHBondContact O-CB 3.32Å; D199-S202 PolarHBondContact O-N 3.11Å; D199-S202 PolarHBondContact OD1-N 3.47Å
200E88.8Confident89.1Confident130 Ų13046.7 Ų46.761%0.60725%0.254SS*.THydrogen-bonded Turntrans-59.5-28.2178.4-61.9-69.7117.600113.4R205E200-R205 PolarHBondContact O-NH1 2.87Å; E200-R205 IonicContact OE1-CZ 3.08Å; E200-R205 IonicContact OE1-NE 3.58Å; E200-R205 IonicContact OE1-NH1 3.58Å; E200-R205 IonicContact OE1-NH2 2.76Å; E200-R205 PolarHBondContact OE1-NH2 3.28Å; E200-R205 IonicContact OE2-CZ 2.9Å; E200-R205 IonicContact OE2-NE 3.99Å; E200-R205 IonicContact OE2-NH1 2.64Å; E200-R205 PolarHBondContact OE2-NH1 3.05Å; E200-R205 IonicContact OE2-NH2 2.66Å; E200-R205 PolarHBondContact OE2-NH2 2.89Å
201N90.2Very high88.1Confident146 Ų14645.8 Ų45.878%0.78126%0.258SS*.THydrogen-bonded Turntrans-95.8-9.5-176.6-63.7-36.2000112.8D199D199-N201 PolarHBondContact O-N 3.37Å; D199-N201 WeakPolarHBondContact OD1-CA 3.22Å; D199-N201 WeakPolarHBondContact OD1-CB 3.36Å; D199-N201 PolarHBondContact OD1-N 3.46Å
202S91.4Very high86.7Confident8 Ų845.5 Ų45.56%0.05626%0.258CS..  trans-65.7131.5-179.5178.70000111.4H196 D199 L204 R205H196-S202 WeakPolarHBondContact NE2-CB 3.4Å; H196-S202 PolarHBondContact NE2-OG 2.99Å; D199-S202 WeakPolarHBondContact O-CB 3.32Å; D199-S202 PolarHBondContact O-N 3.11Å; D199-S202 PolarHBondContact OD1-N 3.47Å; S202-L204 PolarHBondContact O-N 3.33Å; S202-L204 VanDerWaalsContact O-N 3.17Å; S202-L204 PolarHBondContact OG-N 3.3Å; S202-R205 VanDerWaalsContact O-CB 3.26Å; S202-R205 WeakPolarHBondContact O-CB 3.5Å; S202-R205 PolarHBondContact O-N 2.9Å; S202-R205 VanDerWaalsContact O-N 3.14Å
203P90.5Very high85.1Confident31 Ų3145.7 Ų45.720%0.20127%0.267CS..THydrogen-bonded Turntrans-67.9-15175.631.9-37.1000112.4L156 R173 V175L156-P203 HydrophobicContact CB-CG 4.41Å; L156-P203 HydrophobicContact CD2-CB 3.79Å; L156-P203 HydrophobicContact CD2-CG 4.22Å; R173-P203 HydrophobicContact CB-CB 3.94Å; R173-P203 HydrophobicContact CB-CG 4.27Å; V175-P203 HydrophobicContact CG2-CG 3.63Å
204L89.3Confident83.1Confident1 Ų153.2 Ų53.21%0.00529%0.29CS..THydrogen-bonded Turntrans-88.6-3.7177.4-70.9169.4000113.2L135 L156 S202 A206 W207 A208 F222L135-L204 HydrophobicContact CD2-CD1 3.7Å; L156-L204 HydrophobicContact CD1-CD2 3.6Å; L156-L204 HydrophobicContact CD1-CG 4.32Å; L156-L204 HydrophobicContact CD2-CD2 4.2Å; S202-L204 PolarHBondContact O-N 3.33Å; S202-L204 VanDerWaalsContact O-N 3.17Å; S202-L204 PolarHBondContact OG-N 3.3Å; L204-A206 PolarHBondContact O-N 3.49Å; L204-W207 HydrophobicContact CD2-CE3 4.25Å; L204-W207 PolarHBondContact O-N 2.82Å; L204-A208 VanDerWaalsContact O-CB 3.23Å; L204-A208 WeakPolarHBondContact O-CB 3.46Å; L204-A208 PolarHBondContact O-N 3.15Å; L204-F222 HydrophobicContact CD2-CE1 4.37Å; L204-F222 HydrophobicContact CD2-CE2 3.9Å; L204-F222 HydrophobicContact CD2-CZ 3.8Å
205R87.9Confident81.3Confident103 Ų10356.7 Ų56.739%0.38932%0.32SS..Hα-helixtrans-57.9-47.4-173.7-179.4-174.9175.4-170.91.2113.7I198 E200 S202 W207 A208 A209I198-R205 HydrophobicContact CG2-CB 4.32Å; E200-R205 PolarHBondContact O-NH1 2.87Å; E200-R205 IonicContact OE1-CZ 3.08Å; E200-R205 IonicContact OE1-NE 3.58Å; E200-R205 IonicContact OE1-NH1 3.58Å; E200-R205 IonicContact OE1-NH2 2.76Å; E200-R205 PolarHBondContact OE1-NH2 3.28Å; E200-R205 IonicContact OE2-CZ 2.9Å; E200-R205 IonicContact OE2-NE 3.99Å; E200-R205 IonicContact OE2-NH1 2.64Å; E200-R205 PolarHBondContact OE2-NH1 3.05Å; E200-R205 IonicContact OE2-NH2 2.66Å; E200-R205 PolarHBondContact OE2-NH2 2.89Å; S202-R205 VanDerWaalsContact O-CB 3.26Å; S202-R205 WeakPolarHBondContact O-CB 3.5Å; S202-R205 PolarHBondContact O-N 2.9Å; S202-R205 VanDerWaalsContact O-N 3.14Å; R205-W207 VanDerWaalsContact C-N 3.3Å; R205-W207 PolarHBondContact O-N 3.38Å; R205-A208 PolarHBondContact O-N 2.99Å; R205-A209 WeakPolarHBondContact O-CB 3.05Å; R205-A209 PolarHBondContact O-N 3.1Å
206A85.4Confident79.8Confident56 Ų5657 Ų5746%0.46332%0.324SS..Hα-helixtrans-63-40-177.100000111.7L204 L219L204-A206 PolarHBondContact O-N 3.49Å; A206-L219 HydrophobicContact CB-CD2 3.73Å
207W84.4Confident78.4Confident13 Ų1361.6 Ų61.65%0.04935%0.354CS..Hα-helixtrans-66.8-45.8173.9173.579.8000111.6V126 L204 R205 A209 K210 G212 F222 I250 W252V126-W207 HydrophobicContact CG2-CH2 4.44Å; V126-W207 HydrophobicContact CG2-CZ3 4.29Å; L204-W207 HydrophobicContact CD2-CE3 4.25Å; L204-W207 PolarHBondContact O-N 2.82Å; R205-W207 VanDerWaalsContact C-N 3.3Å; R205-W207 PolarHBondContact O-N 3.38Å; W207-A209 PolarHBondContact O-N 2.92Å; W207-K210 PolarHBondContact O-N 2.85Å; W207-G212 WeakPolarHBondContact CZ2-O 3.2Å; W207-G212 PolarHBondContact O-N 3.34Å; W207-F222 HydrophobicContact CB-CE1 4.42Å; W207-F222 AromaticContact CD1-CE1 3.72Å; W207-F222 AromaticContact CD2-CE1 3.99Å; W207-F222 HydrophobicContact CD2-CE1 3.99Å; W207-F222 HydrophobicContact CD2-CZ 4Å; W207-F222 AromaticContact CE2-CZ 3.99Å; W207-F222 HydrophobicContact CE3-CZ 4.4Å; W207-F222 AromaticContact CG-CE1 3.8Å; W207-F222 HydrophobicContact CG-CE1 3.8Å; W207-F222 HydrophobicContact CG-CZ 4.3Å; W207-F222 HydrophobicContact CZ2-CZ 4.39Å; W207-F222 AromaticContact NE1-CE1 3.85Å; W207-I250 HydrophobicContact CH2-CB 4.04Å; W207-I250 HydrophobicContact CH2-CD1 4.45Å; W207-I250 HydrophobicContact CH2-CG2 3.63Å; W207-I250 HydrophobicContact CZ3-CG2 4.3Å; W207-W252 HydrophobicContact CH2-CE3 4.29Å; W207-W252 HydrophobicContact CZ3-CE3 4.27Å; W207-W252 HydrophobicContact CZ3-CZ3 4.15Å
208A82.6Confident77.2Confident9 Ų968.2 Ų68.27%0.07439%0.385CS..Hα-helixtrans-63.7-39.2179.900000113.3I198 L204 R205 K210 G211 W252I198-A208 HydrophobicContact CD1-CB 3.98Å; I198-A208 HydrophobicContact CG2-CB 3.78Å; L204-A208 VanDerWaalsContact O-CB 3.23Å; L204-A208 WeakPolarHBondContact O-CB 3.46Å; L204-A208 PolarHBondContact O-N 3.15Å; R205-A208 PolarHBondContact O-N 2.99Å; A208-K210 PolarHBondContact O-N 3.43Å; A208-G211 PolarHBondContact O-N 3.28Å; A208-W252 HydrophobicContact CB-CH2 3.67Å; A208-W252 HydrophobicContact CB-CZ3 3.72Å; A208-W252 WeakPolarHBondContact O-CH2 3.45Å
209A79.4Confident76.2Confident86 Ų8669.7 Ų69.771%0.71139%0.392SS*.Hα-helixtrans-61.8-25.4179.400000113.2R205 W207 G211R205-A209 WeakPolarHBondContact O-CB 3.05Å; R205-A209 PolarHBondContact O-N 3.1Å; W207-A209 PolarHBondContact O-N 2.92Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 3.43Å
210K76Confident75.5Confident107 Ų10767.6 Ų67.647%0.46539%0.386SS..THydrogen-bonded Turntrans-87.610.2176.5-64.7-168.1-179.7-1740113.6W207 A208 D216 L219W207-K210 PolarHBondContact O-N 2.85Å; A208-K210 PolarHBondContact O-N 3.43Å; K210-D216 HydrophobicContact CD-CB 4.03Å; K210-D216 IonicContact NZ-OD2 2.62Å; K210-D216 PolarHBondContact NZ-OD2 3.42Å; K210-L219 HydrophobicContact CD-CD1 3.75Å
211G67.3Low75.3Confident35 Ų3565.9 Ų65.936%0.36138%0.38SS..THydrogen-bonded Turntrans84.616.5177.800000114.6A208 A209 G213A208-G211 PolarHBondContact O-N 3.28Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 3.43Å; G211-G213 PolarHBondContact O-N 3.12Å
212G62.2Low75.2Confident9 Ų959.4 Ų59.49%0.09335%0.345CS..SBendtrans63.233.6168.800000115.5W207W207-G212 WeakPolarHBondContact CZ2-O 3.2Å; W207-G212 PolarHBondContact O-N 3.34Å
213G57.7Low75.3Confident33 Ų3362.5 Ų62.534%0.3436%0.359SS..SBendtrans-136.5-172.5-179.700000113.5G211 A215G211-G213 PolarHBondContact O-N 3.12Å; G213-A215 PolarHBondContact O-N 2.89Å
214W52.4Low75.5Confident203 Ų20361 Ų6177%0.76935%0.349SS*.THydrogen-bonded Turntrans-58.610.3-178.7-71.172.3000116.2D216 D248W214-D216 PolarHBondContact O-N 2.97Å; W214-D248 VanDerWaalsContact CE2-OD1 3.31Å; W214-D248 VanDerWaalsContact CZ2-OD1 3.28Å; W214-D248 WeakPolarHBondContact CZ2-OD1 3.42Å; W214-D248 WeakPolarHBondContact CZ2-OD2 3.13Å; W214-D248 PolarHBondContact NE1-OD1 3.5Å
215A55.6Low75.9Confident79 Ų7963.1 Ų63.165%0.65336%0.36SS*.THydrogen-bonded Turntrans-68.3-18.8-17400000113.3G213G213-A215 PolarHBondContact O-N 2.89Å
216D64.3Low76.3Confident34 Ų3458.2 Ų58.218%0.18234%0.342CS..  trans-148.1106.6174.4-169.6-20.6000110.5K210 W214 E218 L219 A220K210-D216 HydrophobicContact CD-CB 4.03Å; K210-D216 IonicContact NZ-OD2 2.62Å; K210-D216 PolarHBondContact NZ-OD2 3.42Å; W214-D216 PolarHBondContact O-N 2.97Å; D216-E218 PolarHBondContact O-N 2.97Å; D216-E218 PolarHBondContact OD1-N 2.92Å; D216-L219 HydrophobicContact CB-CB 4.16Å; D216-L219 HydrophobicContact CB-CD1 4.01Å; D216-L219 HydrophobicContact CB-CG 4.47Å; D216-L219 PolarHBondContact O-N 2.85Å; D216-L219 WeakPolarHBondContact OD2-CD1 3.32Å; D216-A220 PolarHBondContact O-N 3.26Å
217P65.4Low76.8Confident103 Ų10356.9 Ų56.967%0.66933%0.326SS*.THydrogen-bonded Turntrans-58.4-31.4179.4-25.234.6000114A220 D221P217-A220 PolarHBondContact O-N 3.07Å; P217-D221 PolarHBondContact O-N 2.96Å
218E67.2Low77.2Confident161 Ų16156.2 Ų56.275%0.75232%0.324SS*.THydrogen-bonded Turntrans-73.4-33.4-177.7-62.9-174171.100111.9D216 A220D216-E218 PolarHBondContact O-N 2.97Å; D216-E218 PolarHBondContact OD1-N 2.92Å; E218-A220 VanDerWaalsContact C-N 3.3Å
219L72.9Confident77.6Confident42 Ų4257.7 Ų57.722%0.2233%0.334CS..THydrogen-bonded Turntrans-80.1-13.1174.4-76.8163.8000112.9A206 K210 D216 F222A206-L219 HydrophobicContact CB-CD2 3.73Å; K210-L219 HydrophobicContact CD-CD1 3.75Å; D216-L219 HydrophobicContact CB-CB 4.16Å; D216-L219 HydrophobicContact CB-CD1 4.01Å; D216-L219 HydrophobicContact CB-CG 4.47Å; D216-L219 PolarHBondContact O-N 2.85Å; D216-L219 WeakPolarHBondContact OD2-CD1 3.32Å; L219-F222 VanDerWaalsContact O-CD1 3.28Å; L219-F222 WeakPolarHBondContact O-CD1 3.34Å; L219-F222 WeakPolarHBondContact O-CE1 3.3Å
220A74Confident78.2Confident31 Ų3153.6 Ų53.626%0.25630%0.3SS..THydrogen-bonded Turntrans-102.212.6177.900000112.9D216 P217 E218 P247D216-A220 PolarHBondContact O-N 3.26Å; P217-A220 PolarHBondContact O-N 3.07Å; E218-A220 VanDerWaalsContact C-N 3.3Å; A220-P247 WeakPolarHBondContact O-CG 3.46Å
221D84.4Confident78.8Confident93 Ų9350.8 Ų50.850%0.49729%0.292SS..  trans-9874.3169.9-173.529.8000110.5Q158 P217Q158-D221 WeakPolarHBondContact CG-O 3.18Å; P217-D221 PolarHBondContact O-N 2.96Å
222F89.3Confident79.7Confident11 Ų1149.4 Ų49.45%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-146.6159.8173.868.9-98.2000111.7L156 L157 Q158 L204 W207 L219 P247 I250L156-F222 HydrophobicContact CD1-CB 4.04Å; L156-F222 HydrophobicContact CD1-CD2 3.27Å; L156-F222 HydrophobicContact CD1-CE2 3.8Å; L156-F222 HydrophobicContact CD1-CG 3.74Å; L156-F222 HydrophobicContact CG-CB 4.34Å; L156-F222 HydrophobicContact CG-CD2 4.41Å; L156-F222 HydrophobicContact CG-CG 4.5Å; L157-F222 CarbonylContact O-C 3.53Å; L157-F222 VanDerWaalsContact O-CA 3.23Å; L157-F222 WeakPolarHBondContact O-CA 3.32Å; L157-F222 WeakPolarHBondContact O-CB 3.47Å; Q158-F222 HydrophobicContact CB-CB 4.4Å; L204-F222 HydrophobicContact CD2-CE1 4.37Å; L204-F222 HydrophobicContact CD2-CE2 3.9Å; L204-F222 HydrophobicContact CD2-CZ 3.8Å; W207-F222 HydrophobicContact CB-CE1 4.42Å; W207-F222 AromaticContact CD1-CE1 3.72Å; W207-F222 AromaticContact CD2-CE1 3.99Å; W207-F222 HydrophobicContact CD2-CE1 3.99Å; W207-F222 HydrophobicContact CD2-CZ 4Å; W207-F222 AromaticContact CE2-CZ 3.99Å; W207-F222 HydrophobicContact CE3-CZ 4.4Å; W207-F222 AromaticContact CG-CE1 3.8Å; W207-F222 HydrophobicContact CG-CE1 3.8Å; W207-F222 HydrophobicContact CG-CZ 4.3Å; W207-F222 HydrophobicContact CZ2-CZ 4.39Å; W207-F222 AromaticContact NE1-CE1 3.85Å; L219-F222 VanDerWaalsContact O-CD1 3.28Å; L219-F222 WeakPolarHBondContact O-CD1 3.34Å; L219-F222 WeakPolarHBondContact O-CE1 3.3Å; F222-P247 HydrophobicContact CD1-CG 3.89Å; F222-P247 HydrophobicContact CD2-CG 4Å; F222-P247 HydrophobicContact CE1-CB 4.06Å; F222-P247 HydrophobicContact CE1-CG 3.73Å; F222-P247 HydrophobicContact CE2-CB 4.44Å; F222-P247 HydrophobicContact CE2-CG 3.86Å; F222-P247 HydrophobicContact CG-CG 4.03Å; F222-P247 HydrophobicContact CZ-CB 3.94Å; F222-P247 HydrophobicContact CZ-CG 3.73Å; F222-P247 WeakPolarHBondContact O-CD 3.32Å; F222-P247 VanDerWaalsContact O-CG 3.26Å; F222-P247 WeakPolarHBondContact O-CG 3.41Å; F222-I250 HydrophobicContact CE2-CD1 3.82Å; F222-I250 HydrophobicContact CZ-CD1 4.07Å
223E93.6Very high80.8Confident72 Ų7253.6 Ų53.634%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-123.4127.8168.4-175.6178.2-175.300109.2L157 L225 S244 L246L157-E223 HydrophobicContact CB-CB 4.4Å; L157-E223 WeakPolarHBondContact CB-O 3.49Å; L157-E223 PolarHBondContact N-O 2.9Å; L157-E223 PolarHBondContact O-N 3.39Å; E223-L225 PolarHBondContact O-N 3.36Å; E223-S244 WeakPolarHBondContact OE1-CB 3.31Å; E223-S244 PolarHBondContact OE1-OG 3.21Å; E223-L246 HydrophobicContact CB-CD2 4.42Å; E223-L246 HydrophobicContact CG-CD2 4.3Å
224L94.9Very high82Confident0 Ų056.5 Ų56.50%031%0.307CS..EExtended strand (participates in β ladder)trans-91.9102.5174.9177.767.4000109.7L135 L156 V175 F177 V226 S244 Y245L135-L224 HydrophobicContact CD2-CD2 3.45Å; L135-L224 VanDerWaalsContact CD2-CD2 3.45Å; L156-L224 HydrophobicContact CD1-CD1 4.45Å; V175-L224 HydrophobicContact CB-CD1 4.26Å; V175-L224 HydrophobicContact CG1-CD1 4.45Å; V175-L224 HydrophobicContact CG2-CD1 3.98Å; F177-L224 HydrophobicContact CZ-CD2 4.46Å; L224-V226 HydrophobicContact CD2-CG2 4.23Å; L224-V226 HydrophobicContact CG-CG2 4.07Å; L224-S244 CarbonylContact O-C 3.53Å; L224-S244 WeakPolarHBondContact O-CA 3.3Å; L224-Y245 HydrophobicContact CD2-CD2 4.4Å; L224-Y245 PolarHBondContact N-O 2.91Å; L224-Y245 PolarHBondContact O-N 2.96Å
225L96.5Very high83.5Confident45 Ų4550.4 Ų50.424%0.23629%0.292CS..EExtended strand (participates in β ladder)trans-81.3123.4171.8178.571.1000109.9G154 K155 L157 E223 I227 R242G154-L225 CarbonylContact C-O 3.6Å; G154-L225 VanDerWaalsContact CA-O 3.27Å; G154-L225 WeakPolarHBondContact CA-O 3.42Å; K155-L225 HydrophobicContact CB-CB 4.26Å; K155-L225 PolarHBondContact N-O 2.92Å; K155-L225 PolarHBondContact O-N 3.4Å; L157-L225 HydrophobicContact CD1-CB 4.11Å; L157-L225 HydrophobicContact CG-CB 4.41Å; E223-L225 PolarHBondContact O-N 3.36Å; L225-I227 HydrophobicContact CD2-CD1 4.03Å; L225-I227 HydrophobicContact CD2-CG1 4.28Å; L225-I227 HydrophobicContact CG-CD1 4.41Å; L225-I227 HydrophobicContact CG-CG1 4.12Å; L225-R242 HydrophobicContact CD1-CB 4.38Å
226V96.7Very high84.9Confident0 Ų051.4 Ų51.40%029%0.294CS..EExtended strand (participates in β ladder)trans-111.4130.7176.5177.80000109.5F120 I137 V152 F177 L224 R242 T243 Y245F120-V226 HydrophobicContact CD1-CG1 4.28Å; F120-V226 HydrophobicContact CE1-CG1 3.68Å; F120-V226 HydrophobicContact CZ-CG1 4.38Å; I137-V226 HydrophobicContact CD1-CB 4.44Å; I137-V226 HydrophobicContact CD1-CG1 3.44Å; I137-V226 VanDerWaalsContact CD1-CG1 3.44Å; I137-V226 HydrophobicContact CD1-CG2 4.19Å; V152-V226 HydrophobicContact CG1-CG1 3.72Å; F177-V226 HydrophobicContact CE2-CG2 4.3Å; F177-V226 HydrophobicContact CZ-CG2 4.39Å; L224-V226 HydrophobicContact CD2-CG2 4.23Å; L224-V226 HydrophobicContact CG-CG2 4.07Å; V226-R242 CarbonylContact O-C 3.56Å; V226-R242 VanDerWaalsContact O-CA 3.28Å; V226-R242 WeakPolarHBondContact O-CA 3.16Å; V226-T243 HydrophobicContact CB-CG2 3.87Å; V226-T243 HydrophobicContact CG1-CG2 4.41Å; V226-T243 PolarHBondContact N-O 3.04Å; V226-T243 PolarHBondContact O-N 3.31Å; V226-T243 VanDerWaalsContact O-O 3.09Å; V226-Y245 HydrophobicContact CB-CE2 4.46Å; V226-Y245 HydrophobicContact CG2-CD2 3.93Å; V226-Y245 HydrophobicContact CG2-CE2 3.85Å
227I95.4Very high86Confident28 Ų2851 Ų5114%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-125.6122.1-177.2-52.2173.8000108.5V152 T153 L225 V241 R242V152-I227 WeakPolarHBondContact CA-O 3.3Å; T153-I227 PolarHBondContact N-O 2.91Å; T153-I227 PolarHBondContact O-N 3.48Å; T153-I227 PolarHBondContact OG1-O 3.48Å; L225-I227 HydrophobicContact CD2-CD1 4.03Å; L225-I227 HydrophobicContact CD2-CG1 4.28Å; L225-I227 HydrophobicContact CG-CD1 4.41Å; L225-I227 HydrophobicContact CG-CG1 4.12Å; I227-V241 WeakPolarHBondContact CA-O 3.37Å; I227-R242 HydrophobicContact CG1-CG 4.1Å; I227-R242 HydrophobicContact CG2-CG 4.22Å
228M93Very high87.1Confident0 Ų051.4 Ų51.40%030%0.296CS..EExtended strand (participates in β ladder)trans-100.5127.7166.6-171.5-169.78300109.8V118 F120 V139 L147 Q151 V152 L188 A230 Q240 V241V118-M228 HydrophobicContact CB-CE 4.03Å; V118-M228 HydrophobicContact CG1-CE 3.46Å; V118-M228 VanDerWaalsContact CG1-CE 3.46Å; V118-M228 HydrophobicContact CG1-SD 3.82Å; V118-M228 HydrophobicContact CG2-CE 3.48Å; V118-M228 VanDerWaalsContact CG2-CE 3.48Å; F120-M228 HydrophobicContact CE1-CB 4.34Å; F120-M228 HydrophobicContact CZ-CB 3.69Å; V139-M228 HydrophobicContact CG1-SD 3.63Å; L147-M228 HydrophobicContact CD1-CE 4.06Å; Q151-M228 CarbonylContact O-C 3.58Å; Q151-M228 VanDerWaalsContact O-CA 3.3Å; Q151-M228 WeakPolarHBondContact O-CA 3.43Å; V152-M228 HydrophobicContact CG2-CB 4.16Å; V152-M228 HydrophobicContact CG2-CG 3.92Å; L188-M228 HydrophobicContact CD2-SD 4.01Å; M228-A230 HydrophobicContact CE-CB 4.21Å; M228-Q240 CarbonylContact O-C 3.58Å; M228-Q240 VanDerWaalsContact O-CA 3.29Å; M228-Q240 WeakPolarHBondContact O-CA 3.17Å; M228-V241 HydrophobicContact CE-CG2 4.39Å; M228-V241 PolarHBondContact N-O 3.45Å; M228-V241 PolarHBondContact O-N 3.01Å
229S92.2Very high88Confident39 Ų3944.2 Ų44.227%0.27326%0.263SS..EExtended strand (participates in β ladder)trans-109136170.1-1710000109.5C150 Q151 C239C150-S229 CarbonylContact C-O 3.52Å; C150-S229 WeakPolarHBondContact CA-O 3.43Å; Q151-S229 PolarHBondContact N-O 2.86Å; Q151-S229 PolarHBondContact O-N 3.38Å; S229-C239 WeakPolarHBondContact CA-O 3.42Å
230A90.7Very high88.9Confident1 Ų147.5 Ų47.51%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-155.5162.3176.600000111.2L147 L148 M228 T238 C239L147-A230 HydrophobicContact CB-CB 4.09Å; L147-A230 HydrophobicContact CD2-CB 4.43Å; L148-A230 CarbonylContact O-C 3.59Å; M228-A230 HydrophobicContact CE-CB 4.21Å; A230-T238 CarbonylContact O-C 3.46Å; A230-C239 PolarHBondContact N-O 3.26Å; A230-C239 PolarHBondContact O-N 3.45Å
231T89.4Confident89.7Confident48 Ų4846.9 Ų46.929%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-104.4131.5174.4-60.90000110.5L148 E233L148-T231 PolarHBondContact N-O 3.24Å; L148-T231 PolarHBondContact O-N 2.65Å; T231-E233 PolarHBondContact O-N 3.45Å
232V86.6Confident90.2Very high5 Ų550.1 Ų50.13%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-82.4114.1-179.9-177.70000109.4R114 L147 P234 T235 S236 A237 C239R114-V232 HydrophobicContact CB-CG2 4.39Å; R114-V232 HydrophobicContact CG-CG1 4.29Å; R114-V232 HydrophobicContact CG-CG2 3.73Å; L147-V232 HydrophobicContact CD2-CG2 4.14Å; V232-P234 HydrophobicContact CG1-CG 3.96Å; V232-T235 PolarHBondContact O-N 2.98Å; V232-S236 WeakPolarHBondContact O-CA 3.28Å; V232-S236 PolarHBondContact O-N 3.22Å; V232-A237 WeakPolarHBondContact CG2-O 3.42Å; V232-A237 PolarHBondContact N-O 2.92Å; V232-C239 HydrophobicContact CG2-CB 3.82Å
233E84.4Confident90.5Very high97 Ų9751.5 Ų51.545%0.45329%0.285SS..G310 helixtrans-45.9-56-175.5176.7-175.9-143.100114.9L146 L148 T231 T235L146-E233 HydrophobicContact CB-CB 4.21Å; L146-E233 WeakPolarHBondContact CB-OE2 3.5Å; L146-E233 PolarHBondContact N-OE2 2.93Å; L148-E233 HydrophobicContact CD1-CB 4.39Å; T231-E233 PolarHBondContact O-N 3.45Å; E233-T235 VanDerWaalsContact C-N 3.31Å; E233-T235 PolarHBondContact O-N 3.47Å
234P82.3Confident90.6Very high95 Ų9550 Ų5062%0.61728%0.283SS*.G310 helixtrans-70.1-21-174.425.6-36.9000115.1V232V232-P234 HydrophobicContact CG1-CG 3.96Å
235T83.9Confident90.6Very high75 Ų7550.1 Ų50.146%0.4628%0.283SS..G310 helixtrans-116.5-5-175.6630000113.1V232 E233 A237V232-T235 PolarHBondContact O-N 2.98Å; E233-T235 VanDerWaalsContact C-N 3.31Å; E233-T235 PolarHBondContact O-N 3.47Å; T235-A237 PolarHBondContact O-N 3.45Å; T235-A237 WeakPolarHBondContact OG1-CB 3.35Å
236S86.9Confident90.4Very high100 Ų10052 Ų5270%0.69929%0.293SS*.THydrogen-bonded Turntrans48.523.2-170.3-61.80000114.1V232V232-S236 WeakPolarHBondContact O-CA 3.28Å; V232-S236 PolarHBondContact O-N 3.22Å
237A85.9Confident90.1Very high25 Ų2552.9 Ų52.921%0.20730%0.299CS..EExtended strand (participates in β ladder)trans-92.1139.9-175.700000110P111 V232 T235P111-A237 HydrophobicContact CG-CB 3.73Å; V232-A237 WeakPolarHBondContact CG2-O 3.42Å; V232-A237 PolarHBondContact N-O 2.92Å; T235-A237 PolarHBondContact O-N 3.45Å; T235-A237 WeakPolarHBondContact OG1-CB 3.35Å
238T88.1Confident89.8Confident111 Ų11156.4 Ų56.468%0.68132%0.318SS*.EExtended strand (participates in β ladder)trans-71.9132.6175.457.20000110.8A230A230-T238 CarbonylContact O-C 3.46Å
239C87.3Confident89.8Confident10 Ų1059.8 Ų59.87%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-118.1126.4176.7-176.70000108.6S229 A230 V232S229-C239 WeakPolarHBondContact CA-O 3.42Å; A230-C239 PolarHBondContact N-O 3.26Å; A230-C239 PolarHBondContact O-N 3.45Å; V232-C239 HydrophobicContact CG2-CB 3.82Å
240Q90.7Very high89.8Confident112 Ų11258.2 Ų58.252%0.52332%0.322SS..EExtended strand (participates in β ladder)trans-116.4129.8170.2-73.6-172.6-1.400109.6M228M228-Q240 CarbonylContact O-C 3.58Å; M228-Q240 VanDerWaalsContact O-CA 3.29Å; M228-Q240 WeakPolarHBondContact O-CA 3.17Å
241V91.9Very high89.9Confident17 Ų1760.1 Ų60.110%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-124.1139177.9-163.80000108.1G115 V118 F120 I227 M228G115-V241 WeakPolarHBondContact O-CG1 3.14Å; V118-V241 HydrophobicContact CB-CB 4.3Å; V118-V241 HydrophobicContact CB-CG1 4.2Å; V118-V241 HydrophobicContact CB-CG2 3.9Å; V118-V241 HydrophobicContact CG1-CB 4.46Å; V118-V241 HydrophobicContact CG1-CG2 4.44Å; V118-V241 HydrophobicContact CG2-CG2 3.89Å; F120-V241 HydrophobicContact CD2-CG1 4.49Å; F120-V241 HydrophobicContact CE2-CB 4.06Å; F120-V241 HydrophobicContact CE2-CG1 3.8Å; I227-V241 WeakPolarHBondContact CA-O 3.37Å; M228-V241 HydrophobicContact CE-CG2 4.39Å; M228-V241 PolarHBondContact N-O 3.45Å; M228-V241 PolarHBondContact O-N 3.01Å
242R94Very high89.8Confident162 Ų16260.6 Ų60.661%0.61133%0.328SS*.EExtended strand (participates in β ladder)trans-128143.6-173.4-52.5-177.5-173.8158.70.9109.6L225 V226 I227L225-R242 HydrophobicContact CD1-CB 4.38Å; V226-R242 CarbonylContact O-C 3.56Å; V226-R242 VanDerWaalsContact O-CA 3.28Å; V226-R242 WeakPolarHBondContact O-CA 3.16Å; I227-R242 HydrophobicContact CG1-CG 4.1Å; I227-R242 HydrophobicContact CG2-CG 4.22Å
243T95.5Very high90Very high40 Ų4061.6 Ų61.625%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-138.8164.2165.7-164.60000107.7F120 V226 Y245F120-T243 HydrophobicContact CB-CG2 3.71Å; F120-T243 HydrophobicContact CD1-CG2 3.6Å; F120-T243 HydrophobicContact CD2-CG2 3.77Å; F120-T243 HydrophobicContact CE1-CG2 4.11Å; F120-T243 HydrophobicContact CE2-CG2 4.24Å; F120-T243 HydrophobicContact CG-CG2 3.41Å; F120-T243 VanDerWaalsContact CG-CG2 3.41Å; F120-T243 HydrophobicContact CZ-CG2 4.39Å; V226-T243 HydrophobicContact CB-CG2 3.87Å; V226-T243 HydrophobicContact CG1-CG2 4.41Å; V226-T243 PolarHBondContact N-O 3.04Å; V226-T243 PolarHBondContact O-N 3.31Å; V226-T243 VanDerWaalsContact O-O 3.09Å; T243-Y245 HydrophobicContact CG2-CE2 3.72Å
244S95.9Very high90.3Very high41 Ų4160 Ų6029%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-130.7159.9168.4540000111.2E223 L224E223-S244 WeakPolarHBondContact OE1-CB 3.31Å; E223-S244 PolarHBondContact OE1-OG 3.21Å; L224-S244 CarbonylContact O-C 3.53Å; L224-S244 WeakPolarHBondContact O-CA 3.3Å
245Y95.6Very high90.9Very high1 Ų158.9 Ų58.90%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-129.1122.8174.3-59.5-76.4000109S121 A124 I137 L224 V226 T243 E249S121-Y245 VanDerWaalsContact O-CE1 3.3Å; S121-Y245 WeakPolarHBondContact O-CE1 3.29Å; S121-Y245 PolarHBondContact O-OH 3.49Å; S121-Y245 PolarHBondContact OG-OH 3.25Å; A124-Y245 HydrophobicContact CB-CD1 4.14Å; A124-Y245 HydrophobicContact CB-CD2 4.19Å; A124-Y245 HydrophobicContact CB-CE1 4.34Å; A124-Y245 HydrophobicContact CB-CE2 4.39Å; A124-Y245 HydrophobicContact CB-CG 4.05Å; I137-Y245 HydrophobicContact CG2-CD2 4.39Å; I137-Y245 HydrophobicContact CG2-CE2 3.67Å; L224-Y245 HydrophobicContact CD2-CD2 4.4Å; L224-Y245 PolarHBondContact N-O 2.91Å; L224-Y245 PolarHBondContact O-N 2.96Å; V226-Y245 HydrophobicContact CB-CE2 4.46Å; V226-Y245 HydrophobicContact CG2-CD2 3.93Å; V226-Y245 HydrophobicContact CG2-CE2 3.85Å; T243-Y245 HydrophobicContact CG2-CE2 3.72Å; Y245-E249 WeakPolarHBondContact CA-OE2 3.25Å; Y245-E249 HydrophobicContact CD1-CB 4.4Å
246L92.8Very high91.4Very high85 Ų8556.4 Ų56.445%0.44530%0.299SS..  trans-74.5160.9164.3-65.1174.4000109.9E223 D248 E249 I250E223-L246 HydrophobicContact CB-CD2 4.42Å; E223-L246 HydrophobicContact CG-CD2 4.3Å; L246-D248 PolarHBondContact O-N 3.2Å; L246-E249 HydrophobicContact CB-CG 4.22Å; L246-E249 PolarHBondContact N-OE2 3.31Å; L246-E249 WeakPolarHBondContact O-CA 3.31Å; L246-E249 WeakPolarHBondContact O-CB 3.36Å; L246-E249 PolarHBondContact O-N 2.95Å; L246-I250 PolarHBondContact O-N 3.45Å
247P90.1Very high91.6Very high19 Ų1952.9 Ų52.912%0.12327%0.274CS..G310 helixtrans-62.1-33.6-175.5-2842.5000112.4A220 F222 E249 I250A220-P247 WeakPolarHBondContact O-CG 3.46Å; F222-P247 HydrophobicContact CD1-CG 3.89Å; F222-P247 HydrophobicContact CD2-CG 4Å; F222-P247 HydrophobicContact CE1-CB 4.06Å; F222-P247 HydrophobicContact CE1-CG 3.73Å; F222-P247 HydrophobicContact CE2-CB 4.44Å; F222-P247 HydrophobicContact CE2-CG 3.86Å; F222-P247 HydrophobicContact CG-CG 4.03Å; F222-P247 HydrophobicContact CZ-CB 3.94Å; F222-P247 HydrophobicContact CZ-CG 3.73Å; F222-P247 WeakPolarHBondContact O-CD 3.32Å; F222-P247 VanDerWaalsContact O-CG 3.26Å; F222-P247 WeakPolarHBondContact O-CG 3.41Å; P247-E249 PolarHBondContact O-N 2.88Å; P247-I250 PolarHBondContact O-N 2.95Å; P247-I250 VanDerWaalsContact O-N 3.13Å
248D88.8Confident91.7Very high101 Ų10157.3 Ų57.354%0.5430%0.301SS..G310 helixtrans-67.6-19.8173.6-71.9-31.5000113.9W214 L246 I250W214-D248 VanDerWaalsContact CE2-OD1 3.31Å; W214-D248 VanDerWaalsContact CZ2-OD1 3.28Å; W214-D248 WeakPolarHBondContact CZ2-OD1 3.42Å; W214-D248 WeakPolarHBondContact CZ2-OD2 3.13Å; W214-D248 PolarHBondContact NE1-OD1 3.5Å; L246-D248 PolarHBondContact O-N 3.2Å; D248-I250 VanDerWaalsContact C-N 3.32Å
249E92.6Very high91.8Very high72 Ų7252.6 Ų52.634%0.33627%0.272SS..G310 helixtrans-89.7-1.2176.3-58.5173.9147.900111.9H123 A124 Y245 L246 P247H123-E249 WeakPolarHBondContact CA-O 3.39Å; H123-E249 WeakPolarHBondContact CB-O 3.5Å; A124-E249 PolarHBondContact N-O 3.01Å; Y245-E249 WeakPolarHBondContact CA-OE2 3.25Å; Y245-E249 HydrophobicContact CD1-CB 4.4Å; L246-E249 HydrophobicContact CB-CG 4.22Å; L246-E249 PolarHBondContact N-OE2 3.31Å; L246-E249 WeakPolarHBondContact O-CA 3.31Å; L246-E249 WeakPolarHBondContact O-CB 3.36Å; L246-E249 PolarHBondContact O-N 2.95Å; P247-E249 PolarHBondContact O-N 2.88Å
250I92.9Very high91.9Very high6 Ų654.4 Ų54.43%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-102.7107.6175.8-51.7177.3000109.4A124 V126 L135 W207 F222 L246 P247 D248A124-I250 HydrophobicContact CB-CG1 4.18Å; A124-I250 HydrophobicContact CB-CG2 4.31Å; A124-I250 CarbonylContact O-C 3.58Å; A124-I250 WeakPolarHBondContact O-CA 3.29Å; V126-I250 HydrophobicContact CG2-CG2 3.71Å; L135-I250 HydrophobicContact CD1-CG2 3.6Å; W207-I250 HydrophobicContact CH2-CB 4.04Å; W207-I250 HydrophobicContact CH2-CD1 4.45Å; W207-I250 HydrophobicContact CH2-CG2 3.63Å; W207-I250 HydrophobicContact CZ3-CG2 4.3Å; F222-I250 HydrophobicContact CE2-CD1 3.82Å; F222-I250 HydrophobicContact CZ-CD1 4.07Å; L246-I250 PolarHBondContact O-N 3.45Å; P247-I250 PolarHBondContact O-N 2.95Å; P247-I250 VanDerWaalsContact O-N 3.13Å; D248-I250 VanDerWaalsContact C-N 3.32Å
251L91.7Very high91.8Very high40 Ų4052.2 Ų52.221%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-92.7112.5-172-56.5177.6000111.9H123 A124 V125 V126 Y254 V278H123-L251 HydrophobicContact CB-CD1 3.91Å; H123-L251 HydrophobicContact CB-CG 4.2Å; A124-L251 PolarHBondContact O-N 3.3Å; V125-L251 CarbonylContact C-O 3.59Å; V125-L251 WeakPolarHBondContact CA-O 3.47Å; V125-L251 HydrophobicContact CG1-CB 4.38Å; V126-L251 PolarHBondContact N-O 2.97Å; L251-Y254 HydrophobicContact CB-CD2 3.68Å; L251-Y254 HydrophobicContact CB-CE2 4.36Å; L251-Y254 HydrophobicContact CB-CG 3.93Å; L251-V278 HydrophobicContact CD1-CB 4.48Å; L251-V278 HydrophobicContact CD1-CG1 4.43Å; L251-V278 HydrophobicContact CD1-CG2 3.75Å
252W89.1Confident91.7Very high58 Ų5856.6 Ų56.622%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-79.4134.4178.4-165.7-83.5000113.2V126 W207 A208 Y254V126-W252 HydrophobicContact CB-CD2 4.11Å; V126-W252 HydrophobicContact CB-CE3 3.62Å; V126-W252 HydrophobicContact CB-CZ3 4.02Å; V126-W252 HydrophobicContact CG1-CD2 4.05Å; V126-W252 HydrophobicContact CG1-CE3 3.55Å; V126-W252 HydrophobicContact CG1-CH2 3.84Å; V126-W252 HydrophobicContact CG1-CZ2 4.29Å; V126-W252 HydrophobicContact CG1-CZ3 3.45Å; V126-W252 VanDerWaalsContact CG1-CZ3 3.45Å; V126-W252 HydrophobicContact CG2-CE3 3.96Å; V126-W252 HydrophobicContact CG2-CZ3 4.23Å; W207-W252 HydrophobicContact CH2-CE3 4.29Å; W207-W252 HydrophobicContact CZ3-CE3 4.27Å; W207-W252 HydrophobicContact CZ3-CZ3 4.15Å; A208-W252 HydrophobicContact CB-CH2 3.67Å; A208-W252 HydrophobicContact CB-CZ3 3.72Å; A208-W252 WeakPolarHBondContact O-CH2 3.45Å; W252-Y254 VanDerWaalsContact C-N 3.31Å; W252-Y254 VanDerWaalsContact O-CD2 3.28Å; W252-Y254 WeakPolarHBondContact O-CD2 3.42Å
253G89.1Confident91.5Very high26 Ų2650 Ų5027%0.26828%0.28SS..THydrogen-bonded Turntrans74.423.5-178.100000113.2V126 T281V126-G253 WeakPolarHBondContact O-CA 3.37Å; V126-G253 PolarHBondContact O-N 2.88Å; G253-T281 WeakPolarHBondContact O-CB 3.43Å; G253-T281 PolarHBondContact O-N 3.31Å; G253-T281 PolarHBondContact O-OG1 3.24Å
254Y92.4Very high91.2Very high65 Ų6555.1 Ų55.126%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-115.2152.9175.1-74.5-102.2000110.6V125 V126 S127 L251 W252 V278 A279 K280V125-Y254 WeakPolarHBondContact CB-O 3.24Å; V126-Y254 PolarHBondContact O-N 3.45Å; S127-Y254 WeakPolarHBondContact CB-O 3.33Å; L251-Y254 HydrophobicContact CB-CD2 3.68Å; L251-Y254 HydrophobicContact CB-CE2 4.36Å; L251-Y254 HydrophobicContact CB-CG 3.93Å; W252-Y254 VanDerWaalsContact C-N 3.31Å; W252-Y254 VanDerWaalsContact O-CD2 3.28Å; W252-Y254 WeakPolarHBondContact O-CD2 3.42Å; Y254-V278 HydrophobicContact CD1-CB 4.03Å; Y254-V278 HydrophobicContact CD1-CG2 3.82Å; Y254-V278 HydrophobicContact CE1-CG2 4.28Å; Y254-A279 CarbonylContact C-O 3.57Å; Y254-A279 VanDerWaalsContact CA-O 3.23Å; Y254-A279 WeakPolarHBondContact CA-O 3.46Å; Y254-K280 HydrophobicContact CD1-CG 4.14Å; Y254-K280 HydrophobicContact CE1-CG 3.6Å; Y254-K280 HydrophobicContact CE2-CG 4.15Å; Y254-K280 WeakPolarHBondContact OH-CE 3.48Å
255E93.4Very high90.8Very high71 Ų7157.4 Ų57.433%0.33233%0.33SS..EExtended strand (participates in β ladder)trans-132.7160.9174.766.7-168.8-164.600111.1V278 A279 T281E255-V278 WeakPolarHBondContact O-CA 3.28Å; E255-A279 PolarHBondContact N-O 2.85Å; E255-A279 PolarHBondContact O-N 3.47Å; E255-T281 PolarHBondContact N-OG1 2.87Å; E255-T281 PolarHBondContact OE2-OG1 3.12Å
256F93.9Very high90.4Very high23 Ų2359.8 Ų59.810%0.10136%0.355CS..  trans-87.1113.5178.4-88.3-45.8000109.5S121 H123 V125 M136 R138 T193 V278S121-F256 WeakPolarHBondContact OG-CZ 3.32Å; H123-F256 WeakPolarHBondContact O-CZ 3.2Å; V125-F256 HydrophobicContact CG1-CE1 4.33Å; V125-F256 HydrophobicContact CG1-CE2 4.38Å; V125-F256 HydrophobicContact CG1-CZ 4.13Å; V125-F256 HydrophobicContact CG2-CD2 3.65Å; V125-F256 HydrophobicContact CG2-CE2 3.64Å; V125-F256 HydrophobicContact CG2-CG 4.25Å; V125-F256 HydrophobicContact CG2-CZ 4.22Å; M136-F256 HydrophobicContact CB-CD2 4.2Å; M136-F256 HydrophobicContact CB-CE2 4.21Å; R138-F256 HydrophobicContact CB-CD2 4.49Å; R138-F256 HydrophobicContact CB-CE1 4.41Å; R138-F256 HydrophobicContact CB-CE2 4.22Å; R138-F256 HydrophobicContact CB-CZ 4.19Å; R138-F256 VanDerWaalsContact NH2-CB 3.3Å; T193-F256 HydrophobicContact CG2-CD2 4.04Å; F256-V278 HydrophobicContact CD1-CG1 4.2Å; F256-V278 HydrophobicContact CE1-CG1 3.94Å
257P91.6Very high90.1Very high25 Ų2560.2 Ų60.216%0.16235%0.353CS..  trans-65150.4178.729-33.6000110.3R138 V259 K277R138-P257 PolarHBondContact NH2-O 3.48Å; P257-V259 PolarHBondContact O-N 2.82Å; P257-K277 WeakPolarHBondContact CD-O 3.01Å; P257-K277 HydrophobicContact CG-CB 4.14Å
258P89.2Confident90Very high119 Ų11965.9 Ų65.977%0.77337%0.373SS*.  trans-54.4128.2179.3-25.334000112.2
259V89.6Confident89.9Confident11 Ų1162.8 Ų62.87%0.06736%0.358CS..  trans-99.2-20179170.20000112.1P191 P257 A270 D271 F274P191-V259 HydrophobicContact CB-CG1 4.32Å; P191-V259 HydrophobicContact CG-CG1 3.89Å; P257-V259 PolarHBondContact O-N 2.82Å; V259-A270 HydrophobicContact CG1-CB 4.33Å; V259-A270 CarbonylContact O-C 3.6Å; V259-A270 WeakPolarHBondContact O-CA 3.07Å; V259-D271 WeakPolarHBondContact CG1-O 3.44Å; V259-D271 PolarHBondContact O-N 3.09Å; V259-F274 HydrophobicContact CG2-CB 4.15Å
260V88.8Confident89.7Confident48 Ų4860 Ų6029%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-102.8128.2-176.6-179.50000108.9I190 Y268 V269 A270I190-V260 HydrophobicContact CB-CG2 4.15Å; I190-V260 HydrophobicContact CD1-CG2 4.17Å; I190-V260 HydrophobicContact CG2-CG2 4.45Å; V260-Y268 HydrophobicContact CG1-CD1 3.76Å; V260-Y268 HydrophobicContact CG1-CG 4.42Å; V260-V269 WeakPolarHBondContact CA-O 3.49Å; V260-A270 HydrophobicContact CG2-CB 4.47Å
261S89.1Confident89.5Confident67 Ų6762.5 Ų62.547%0.46936%0.361SS..EExtended strand (participates in β ladder)trans-132160.3176.263.30000110.8Y268 V269S261-Y268 WeakPolarHBondContact O-CA 3.47Å; S261-V269 PolarHBondContact N-O 3.34Å; S261-V269 PolarHBondContact O-N 3.26Å
262L90.1Very high89.4Confident109 Ų10963.1 Ų63.157%0.57136%0.362SS*.EExtended strand (participates in β ladder)trans-91125.5174.8-165.372.2000109.1Y268L262-Y268 HydrophobicContact CD1-CD1 4.34Å; L262-Y268 HydrophobicContact CD1-CE1 4.27Å
263S89.1Confident89.4Confident22 Ų2263.3 Ų63.315%0.15438%0.376CS..  trans-68.3159.7173.572.90000111S265 G266 K267S263-S265 PolarHBondContact O-N 3.16Å; S263-S265 PolarHBondContact OG-N 3.04Å; S263-S265 PolarHBondContact OG-OG 3.26Å; S263-G266 PolarHBondContact O-N 3.36Å; S263-G266 PolarHBondContact OG-N 2.94Å; S263-K267 WeakPolarHBondContact CB-O 3.35Å; S263-K267 PolarHBondContact N-O 2.93Å; S263-K267 WeakPolarHBondContact OG-CB 3.16Å; S263-K267 PolarHBondContact OG-N 2.91Å; S263-K267 PolarHBondContact OG-O 2.88Å
264P88.6Confident89.4Confident148 Ų14865.9 Ų65.996%0.96138%0.38SS*.THydrogen-bonded Turntrans-57-20.5171-25.434.8000113.8G266P264-G266 VanDerWaalsContact C-N 3.34Å
265S87.7Confident89.5Confident89 Ų8962.8 Ų62.862%0.62237%0.368SS*.THydrogen-bonded Turntrans-89.99175.752.50000114.3S263S263-S265 PolarHBondContact O-N 3.16Å; S263-S265 PolarHBondContact OG-N 3.04Å; S263-S265 PolarHBondContact OG-OG 3.26Å
266G88.8Confident89.5Confident51 Ų5161.2 Ų61.253%0.52636%0.362SS..SBendtrans76.217.1177.800000115S263 P264S263-G266 PolarHBondContact O-N 3.36Å; S263-G266 PolarHBondContact OG-N 2.94Å; P264-G266 VanDerWaalsContact C-N 3.34Å
267K86.4Confident89.4Confident94 Ų9465 Ų6541%0.40938%0.378SS..  trans-102.1140.1179.3-62.2-179.7-177.9173.60110.7S263 V269S263-K267 WeakPolarHBondContact CB-O 3.35Å; S263-K267 PolarHBondContact N-O 2.93Å; S263-K267 WeakPolarHBondContact OG-CB 3.16Å; S263-K267 PolarHBondContact OG-N 2.91Å; S263-K267 PolarHBondContact OG-O 2.88Å; K267-V269 PolarHBondContact O-N 3.22Å
268Y87.2Confident89.5Confident138 Ų13865.9 Ų65.954%0.54138%0.383SS..EExtended strand (participates in β ladder)trans-68.5131.2169.2-69.3-75.7000110.6V260 S261 L262 I342V260-Y268 HydrophobicContact CG1-CD1 3.76Å; V260-Y268 HydrophobicContact CG1-CG 4.42Å; S261-Y268 WeakPolarHBondContact O-CA 3.47Å; L262-Y268 HydrophobicContact CD1-CD1 4.34Å; L262-Y268 HydrophobicContact CD1-CE1 4.27Å; Y268-I342 HydrophobicContact CD2-CD1 4.44Å
269V86.9Confident89.7Confident36 Ų3662 Ų6222%0.21836%0.361CS..EExtended strand (participates in β ladder)trans-127.2129.9177.6-178.70000108.3V260 S261 K267V260-V269 WeakPolarHBondContact CA-O 3.49Å; S261-V269 PolarHBondContact N-O 3.34Å; S261-V269 PolarHBondContact O-N 3.26Å; K267-V269 PolarHBondContact O-N 3.22Å
270A88.6Confident89.8Confident14 Ų1468.8 Ų68.812%0.11639%0.39CS..EExtended strand (participates in β ladder)trans-96.4114.9173.500000109.4P191 V259 V260 F272P191-A270 HydrophobicContact CG-CB 4.15Å; V259-A270 HydrophobicContact CG1-CB 4.33Å; V259-A270 CarbonylContact O-C 3.6Å; V259-A270 WeakPolarHBondContact O-CA 3.07Å; V260-A270 HydrophobicContact CG2-CB 4.47Å; A270-F272 HydrophobicContact CB-CE2 4.18Å; A270-F272 PolarHBondContact O-N 2.89Å
271D88.8Confident89.5Confident59 Ų5967.6 Ų67.632%0.31638%0.383SS..  trans-89.699176.7-172.3-6.1000111.2V259 A273 F274V259-D271 WeakPolarHBondContact CG1-O 3.44Å; V259-D271 PolarHBondContact O-N 3.09Å; D271-A273 PolarHBondContact O-N 3.34Å; D271-A273 VanDerWaalsContact O-N 3.1Å; D271-A273 WeakPolarHBondContact OD1-CB 3.37Å; D271-A273 PolarHBondContact OD1-N 3.01Å; D271-F274 HydrophobicContact CB-CD2 4.11Å; D271-F274 PolarHBondContact O-N 3.33Å; D271-F274 WeakPolarHBondContact OD2-CD2 3.41Å; D271-F274 WeakPolarHBondContact OD2-CE2 3.17Å
272F89.6Confident88.7Confident52 Ų5274 Ų7423%0.22840%0.402CS..G310 helixtrans-64.6-12.8-179.8-78.6-92.3000114.2A140 M142 P191 A270 F274 F275A140-F272 HydrophobicContact CB-CE1 3.69Å; A140-F272 HydrophobicContact CB-CZ 4.13Å; M142-F272 HydrophobicContact CE-CD1 4.08Å; M142-F272 HydrophobicContact CE-CE1 4.13Å; M142-F272 HydrophobicContact SD-CD1 3.8Å; M142-F272 HydrophobicContact SD-CE1 3.32Å; M142-F272 WeakPolarHBondContact SD-CE1 3.45Å; M142-F272 HydrophobicContact SD-CZ 4.01Å; P191-F272 HydrophobicContact CG-CE1 4.26Å; P191-F272 HydrophobicContact CG-CZ 4.1Å; A270-F272 HydrophobicContact CB-CE2 4.18Å; A270-F272 PolarHBondContact O-N 2.89Å; F272-F274 PolarHBondContact O-N 3.26Å; F272-F275 HydrophobicContact CD1-CB 4.16Å; F272-F275 HydrophobicContact CD1-CD2 4.28Å; F272-F275 HydrophobicContact CD1-CG 4.25Å; F272-F275 HydrophobicContact CE1-CD2 4.33Å; F272-F275 VanDerWaalsContact O-CB 3.28Å; F272-F275 WeakPolarHBondContact O-CB 3.41Å; F272-F275 PolarHBondContact O-N 3.15Å; F272-F275 VanDerWaalsContact O-N 3.15Å
273A88.8Confident87.3Confident63 Ų6373 Ų7352%0.52140%0.4SS..G310 helixtrans-64.5-23.1171.500000112.5D271 K277D271-A273 PolarHBondContact O-N 3.34Å; D271-A273 VanDerWaalsContact O-N 3.1Å; D271-A273 WeakPolarHBondContact OD1-CB 3.37Å; D271-A273 PolarHBondContact OD1-N 3.01Å; A273-K277 VanDerWaalsContact O-CE 3.24Å; A273-K277 WeakPolarHBondContact O-CE 3.41Å
274F89.8Confident85.5Confident79 Ų7975.8 Ų75.835%0.34642%0.42SS..G310 helixtrans-99.70.9176.1-65.7-91.7000113.3R138 V259 D271 F272 D276 K277R138-F274 PolarHBondContact NH1-O 2.99Å; V259-F274 HydrophobicContact CG2-CB 4.15Å; D271-F274 HydrophobicContact CB-CD2 4.11Å; D271-F274 PolarHBondContact O-N 3.33Å; D271-F274 WeakPolarHBondContact OD2-CD2 3.41Å; D271-F274 WeakPolarHBondContact OD2-CE2 3.17Å; F272-F274 PolarHBondContact O-N 3.26Å; F274-D276 PolarHBondContact O-N 3.29Å; F274-K277 HydrophobicContact CD1-CD 3.59Å; F274-K277 HydrophobicContact CE1-CD 3.98Å; F274-K277 HydrophobicContact CG-CD 4.23Å; F274-K277 PolarHBondContact O-N 3.09Å
275F92.6Very high83.8Confident0 Ų071.5 Ų71.50%039%0.392CS..SBendtrans-61.6-45.7-175.7179.6-92.8000112.6K119 R138 A140 P191 F272K119-F275 HydrophobicContact CB-CE1 4.38Å; K119-F275 HydrophobicContact CB-CZ 4.42Å; K119-F275 HydrophobicContact CD-CD1 3.97Å; K119-F275 HydrophobicContact CD-CE1 3.78Å; K119-F275 HydrophobicContact CG-CD1 4.47Å; K119-F275 HydrophobicContact CG-CE1 3.78Å; K119-F275 HydrophobicContact CG-CZ 4.29Å; K119-F275 WeakPolarHBondContact O-CZ 3.43Å; R138-F275 HydrophobicContact CB-CE2 4.19Å; R138-F275 HydrophobicContact CB-CZ 4.25Å; R138-F275 HydrophobicContact CG-CD2 4.1Å; R138-F275 HydrophobicContact CG-CE2 3.56Å; R138-F275 HydrophobicContact CG-CZ 4.12Å; R138-F275 PolarHBondContact NH1-O 3.33Å; A140-F275 HydrophobicContact CB-CD2 4.07Å; A140-F275 HydrophobicContact CB-CE2 3.4Å; A140-F275 VanDerWaalsContact CB-CE2 3.4Å; A140-F275 HydrophobicContact CB-CZ 4.03Å; P191-F275 HydrophobicContact CB-CD2 4.04Å; P191-F275 HydrophobicContact CB-CE2 4.07Å; P191-F275 HydrophobicContact CG-CD2 4.22Å; F272-F275 HydrophobicContact CD1-CB 4.16Å; F272-F275 HydrophobicContact CD1-CD2 4.28Å; F272-F275 HydrophobicContact CD1-CG 4.25Å; F272-F275 HydrophobicContact CE1-CD2 4.33Å; F272-F275 VanDerWaalsContact O-CB 3.28Å; F272-F275 WeakPolarHBondContact O-CB 3.41Å; F272-F275 PolarHBondContact O-N 3.15Å; F272-F275 VanDerWaalsContact O-N 3.15Å
276D93.3Very high81.8Confident38 Ų3875.3 Ų75.320%0.20340%0.398CS..SBendtrans-93.5-5.1179.7-62.5-58.5000113.2K119 Q122 F274K119-D276 WeakPolarHBondContact CE-OD2 3.29Å; K119-D276 IonicContact NZ-OD1 2.85Å; K119-D276 IonicContact NZ-OD2 3.88Å; K119-D276 PolarHBondContact NZ-OD2 3.45Å; Q122-D276 HydrophobicContact CG-CB 4.43Å; Q122-D276 PolarHBondContact N-OD1 3.49Å; F274-D276 PolarHBondContact O-N 3.29Å
277K93.4Very high79.2Confident103 Ų10383.7 Ų83.745%0.44841%0.414SS..  trans-72.3144.6-179.7-70.4-173.9-176.4172.60110.1P257 A273 F274P257-K277 WeakPolarHBondContact CD-O 3.01Å; P257-K277 HydrophobicContact CG-CB 4.14Å; A273-K277 VanDerWaalsContact O-CE 3.24Å; A273-K277 WeakPolarHBondContact O-CE 3.41Å; F274-K277 HydrophobicContact CD1-CD 3.59Å; F274-K277 HydrophobicContact CE1-CD 3.98Å; F274-K277 HydrophobicContact CG-CD 4.23Å; F274-K277 PolarHBondContact O-N 3.09Å
278V94Very high76.7Confident44 Ų4488.3 Ų88.327%0.26743%0.434SS..  trans-129.5145.8175.9-64.60000108.8V125 L251 Y254 E255 F256V125-V278 HydrophobicContact CG1-CB 4.29Å; V125-V278 HydrophobicContact CG1-CG1 3.56Å; L251-V278 HydrophobicContact CD1-CB 4.48Å; L251-V278 HydrophobicContact CD1-CG1 4.43Å; L251-V278 HydrophobicContact CD1-CG2 3.75Å; Y254-V278 HydrophobicContact CD1-CB 4.03Å; Y254-V278 HydrophobicContact CD1-CG2 3.82Å; Y254-V278 HydrophobicContact CE1-CG2 4.28Å; E255-V278 WeakPolarHBondContact O-CA 3.28Å; F256-V278 HydrophobicContact CD1-CG1 4.2Å; F256-V278 HydrophobicContact CE1-CG1 3.94Å
279A93.2Very high73.9Confident38 Ų3890.2 Ų90.231%0.31445%0.448SS..EExtended strand (participates in β ladder)trans-123.5146.9177.600000109.7Y254 E255 T281Y254-A279 CarbonylContact C-O 3.57Å; Y254-A279 VanDerWaalsContact CA-O 3.23Å; Y254-A279 WeakPolarHBondContact CA-O 3.46Å; E255-A279 PolarHBondContact N-O 2.85Å; E255-A279 PolarHBondContact O-N 3.47Å; A279-T281 PolarHBondContact O-N 3.3Å
280K90.4Very high71.2Confident152 Ų15294.2 Ų94.266%0.66147%0.474SS*.EExtended strand (participates in β ladder)trans-66.5130172.9-76.5-172.5177.2-177.80109.6Y254Y254-K280 HydrophobicContact CD1-CG 4.14Å; Y254-K280 HydrophobicContact CE1-CG 3.6Å; Y254-K280 HydrophobicContact CE2-CG 4.15Å; Y254-K280 WeakPolarHBondContact OH-CE 3.48Å
281T83.7Confident68.4Low24 Ų2498.8 Ų98.815%0.14751%0.505CS..  trans-67134.7178.4-62.50000110.2G253 E255 A279 T283G253-T281 WeakPolarHBondContact O-CB 3.43Å; G253-T281 PolarHBondContact O-N 3.31Å; G253-T281 PolarHBondContact O-OG1 3.24Å; E255-T281 PolarHBondContact N-OG1 2.87Å; E255-T281 PolarHBondContact OE2-OG1 3.12Å; A279-T281 PolarHBondContact O-N 3.3Å; T281-T283 VanDerWaalsContact C-N 3.3Å; T281-T283 WeakPolarHBondContact CG2-OG1 3.34Å
282K72.3Confident65.6Low202 Ų202101 Ų10188%0.87853%0.526SS*.SBendtrans-75.3-22177.9-65.8178-178.5175.60112.6S284K282-S284 PolarHBondContact O-N 2.96Å
283T60.5Low63Low87 Ų87104.5 Ų104.553%0.53455%0.553SS.*SBendtrans-73.7112.7179.4-13.40000109.7T281T281-T283 VanDerWaalsContact C-N 3.3Å; T281-T283 WeakPolarHBondContact CG2-OG1 3.34Å
284S50.9Low60.4Low80 Ų80109 Ų10956%0.55957%0.568SS**  trans-60.2132.3174.9173.20000110.4K282 F286K282-S284 PolarHBondContact O-N 2.96Å; S284-F286 PolarHBondContact O-N 3.4Å; S284-F286 PolarHBondContact OG-N 3.42Å
285P52.6Low57.5Low59 Ų59112.9 Ų112.938%0.38359%0.593SS.*SBendtrans-66.8-7.1-179.223.6-30.6000114F128F128-P285 HydrophobicContact CD2-CB 4.47Å; F128-P285 HydrophobicContact CE2-CB 3.71Å; F128-P285 HydrophobicContact CZ-CB 4.43Å
286F45.1Very low54.6Low169 Ų169124.2 Ų124.274%0.74164%0.636SS**  trans-135.471-178.1-70-83.3000111.5S284 K288S284-F286 PolarHBondContact O-N 3.4Å; S284-F286 PolarHBondContact OG-N 3.42Å; F286-K288 PolarHBondContact O-N 2.87Å
287R34.7Very low51.5Low227 Ų227129.2 Ų129.286%0.85767%0.668SS**  trans-89.993.4154.9-161172.9-164174.43.8107.2Q289R287-Q289 PolarHBondContact O-N 2.88Å; R287-Q289 VanDerWaalsContact O-N 3.16Å
288K33.7Very low48.7Very low190 Ų190133.1 Ų133.183%0.82669%0.688SS**  trans-48.3125.9160.4-73.3-177178.7-178.50106.4F286F286-K288 PolarHBondContact O-N 2.87Å
289Q29.5Very low45.6Very low179 Ų179137.9 Ų137.984%0.83672%0.717SS**  trans-48.7132.9168.2-80.4177.7-29.500107.5R287 S291R287-Q289 PolarHBondContact O-N 2.88Å; R287-Q289 VanDerWaalsContact O-N 3.16Å; Q289-S291 PolarHBondContact O-N 3.41Å
290P28.8Very low42.6Very low119 Ų119147.4 Ų147.477%0.77375%0.745SS**  trans-62.9109.7172.124.8-29.3000107.2
291S30.1Very low40Very low111 Ų111149.1 Ų149.178%0.77676%0.755SS**  trans-54.2138.616247.60000108.2Q289Q289-S291 PolarHBondContact O-N 3.41Å
292S30.5Very low37.5Very low106 Ų106155.2 Ų155.274%0.74179%0.787SS**  trans-41.6148.8178.346.70000113.6N294S292-N294 PolarHBondContact O-N 3.03Å; S292-N294 VanDerWaalsContact O-N 3.09Å
293P34.2Very low35.7Very low124 Ų124149 Ų14981%0.80578%0.781SS**SBendtrans-75.4105.6-171.330.7-32.4000110.7
294N35.5Very low34.4Very low157 Ų157149.1 Ų149.184%0.8479%0.79SS**  trans-170.692.5148-101.8-5.7000108.7S292S292-N294 PolarHBondContact O-N 3.03Å; S292-N294 VanDerWaalsContact O-N 3.09Å
295D29.3Very low33.9Very low162 Ų162154.9 Ų154.987%0.86680%0.8SS**  -172.6135117.9-122.3-28.2000110.5
296R32Very low33.3Very low237 Ų237159.7 Ų159.789%0.89482%0.817SS**  trans-85.8125.7172.2-78.4177.1171.6178-2.9108.3
297T27.1Very low33Very low143 Ų143157.4 Ų157.488%0.87781%0.813SS**  trans-159.3130.6140.2-110000111.1
298E34.9Very low33.4Very low186 Ų186151.9 Ų151.987%0.86980%0.8SS**  trans-71142.1177.1-63.3175.6137.200111.6
299T27.8Very low34.1Very low144 Ų144146.1 Ų146.188%0.88378%0.781SS**  trans-154.9122.1141.2-33.10000111.1
300R31.8Very low34.9Very low238 Ų238140.4 Ų140.490%0.89876%0.76SS**  trans-78.5128.1171.5-99.2172.2158.8176.7-5110
301Q34.4Very low35.7Very low187 Ų187143.5 Ų143.587%0.87476%0.757SS**  trans178.4111.2144.8-104172.724.300109.6
302N32.4Very low36.8Very low152 Ų152144.3 Ų144.381%0.81375%0.748SS**  trans-172.795.5156-98.1-21.2000109.4
303G33.1Very low37.7Very low73 Ų73147.4 Ų147.475%0.75374%0.744SS**SBendtrans-132.411.617600000114
304A34.2Very low38.6Very low88 Ų88147 Ų14773%0.72773%0.734SS**SBendtrans-123.3-5.5-172.800000114.9
305R39.7Very low39.7Very low201 Ų201144.6 Ų144.676%0.75872%0.72SS**SBendtrans-97.8-17.1-176.8-107.6179.3178.9175.10.1114.7V309R305-V309 WeakPolarHBondContact O-CG2 3.41Å
306E40.4Very low40.9Very low160 Ų160142 Ų14275%0.74871%0.705SS**Hα-helixtrans-80.7-28.2-177-73.6-175.6151.600113.1S310E306-S310 WeakPolarHBondContact O-CB 3.36Å; E306-S310 PolarHBondContact O-N 3.35Å; E306-S310 PolarHBondContact O-OG 2.88Å
307D39.4Very low42Very low122 Ų122136.3 Ų136.365%0.65269%0.689SS**Hα-helixtrans-74-31.8-178.7-74.4-20.7000113R311D307-R311 PolarHBondContact O-N 3.42Å
308D42.5Very low43.4Very low110 Ų110136.7 Ų136.759%0.58868%0.681SS**Hα-helixtrans-75.1-41.3-178.3-152.833.1000111.7S310 R311 E312D308-S310 VanDerWaalsContact C-N 3.28Å; D308-S310 PolarHBondContact O-N 2.9Å; D308-R311 PolarHBondContact O-N 3.41Å; D308-E312 PolarHBondContact O-N 2.94Å
309V49.1Very low44.4Very low69 Ų69132.8 Ų132.842%0.41867%0.666SS.*Hα-helixtrans-65.8-32174.8178.30000111.6R305 R313R305-V309 WeakPolarHBondContact O-CG2 3.41Å; V309-R313 VanDerWaalsContact O-CG 3.28Å; V309-R313 WeakPolarHBondContact O-CG 3.44Å; V309-R313 PolarHBondContact O-N 3.48Å; V309-R313 VanDerWaalsContact O-N 3.16Å
310S46Very low45.6Very low59 Ų59134 Ų13441%0.41366%0.656SS.*Hα-helixtrans-70.9-33.8178.1-61.20000112.1E306 D308 L314E306-S310 WeakPolarHBondContact O-CB 3.36Å; E306-S310 PolarHBondContact O-N 3.35Å; E306-S310 PolarHBondContact O-OG 2.88Å; D308-S310 VanDerWaalsContact C-N 3.28Å; D308-S310 PolarHBondContact O-N 2.9Å; S310-L314 WeakPolarHBondContact O-CG 3.17Å; S310-L314 PolarHBondContact O-N 2.92Å
311R44.9Very low46.7Very low185 Ų185129.4 Ų129.470%0.69864%0.642SS**Hα-helixtrans-71.1-42.4174.6-81.7-178.6168.4-176.9-2.1112.6D307 D308 R313 L314 I315D307-R311 PolarHBondContact O-N 3.42Å; D308-R311 PolarHBondContact O-N 3.41Å; R311-R313 VanDerWaalsContact C-N 3.33Å; R311-R313 PolarHBondContact O-N 3.3Å; R311-L314 PolarHBondContact O-N 3.44Å; R311-I315 WeakPolarHBondContact O-CG1 3.38Å; R311-I315 PolarHBondContact O-N 2.73Å
312E53.8Low47.2Very low127 Ų127122.6 Ų122.659%0.59362%0.623SS**Hα-helixtrans-64.4-37176.5-73.4-168.9149.800112.6D308 L314 I315 L316D308-E312 PolarHBondContact O-N 2.94Å; E312-L314 PolarHBondContact O-N 3.4Å; E312-I315 PolarHBondContact O-N 2.03Å; E312-L316 PolarHBondContact O-N 2.94Å; E312-L316 VanDerWaalsContact O-N 3.16Å
313R50.2Low48.1Very low172 Ų172123 Ų12365%0.64962%0.617SS**Hα-helixtrans-58.4-44.1174.5-79.8176.2-178.4-168.82.8112.7V309 R311 L316 E317V309-R313 VanDerWaalsContact O-CG 3.28Å; V309-R313 WeakPolarHBondContact O-CG 3.44Å; V309-R313 PolarHBondContact O-N 3.48Å; V309-R313 VanDerWaalsContact O-N 3.16Å; R311-R313 VanDerWaalsContact C-N 3.33Å; R311-R313 PolarHBondContact O-N 3.3Å; R313-L316 PolarHBondContact O-N 2.83Å; R313-E317 PolarHBondContact O-N 3.03Å; R313-E317 VanDerWaalsContact O-N 3.13Å
314L52.7Low49Very low116 Ų116125.5 Ų125.561%0.60761%0.609SS**Hα-helixtrans-66.9-40.3-178.5-72.8166.7000111.9S310 R311 E312 L316 E317 E318S310-L314 WeakPolarHBondContact O-CG 3.17Å; S310-L314 PolarHBondContact O-N 2.92Å; R311-L314 PolarHBondContact O-N 3.44Å; E312-L314 PolarHBondContact O-N 3.4Å; L314-L316 PolarHBondContact O-N 3.45Å; L314-E317 PolarHBondContact O-N 3.25Å; L314-E318 PolarHBondContact O-N 3.09Å; L314-E318 VanDerWaalsContact O-N 3.16Å
315I59.1Low49.6Very low105 Ų105129.1 Ų129.154%0.53861%0.608SS.*Hα-helixtrans-67.1-36.7179.8-63.8167.3000111.4R311 E312 N319R311-I315 WeakPolarHBondContact O-CG1 3.38Å; R311-I315 PolarHBondContact O-N 2.73Å; E312-I315 PolarHBondContact O-N 2.03Å; I315-N319 PolarHBondContact O-N 2.89Å; I315-N319 PolarHBondContact O-ND2 3.21Å; I315-N319 VanDerWaalsContact O-ND2 3.1Å
316L53.5Low49.8Very low107 Ų107128.2 Ų128.256%0.5661%0.61SS**Hα-helixtrans-73.8-37.8178.8-100.5142.1000113E312 R313 L314 N319 Y320E312-L316 PolarHBondContact O-N 2.94Å; E312-L316 VanDerWaalsContact O-N 3.16Å; R313-L316 PolarHBondContact O-N 2.83Å; L314-L316 PolarHBondContact O-N 3.45Å; L316-N319 PolarHBondContact O-N 3.22Å; L316-Y320 PolarHBondContact O-N 2.63Å
317E55.9Low50.1Low118 Ų118130.8 Ų130.855%0.55161%0.613SS**Hα-helixtrans-65.7-38.5175.1-78.1-170.2170.500112.4R313 L314 Y320 K321R313-E317 PolarHBondContact O-N 3.03Å; R313-E317 VanDerWaalsContact O-N 3.13Å; L314-E317 PolarHBondContact O-N 3.25Å; E317-Y320 PolarHBondContact O-N 3.04Å; E317-K321 PolarHBondContact O-N 2.92Å
318E56.6Low50.3Low152 Ų152132.3 Ų132.371%0.7162%0.616SS**Hα-helixtrans-68.2-39.3178.6-158.4168.9-162.700111.5L314 Y320 K321 G322L314-E318 PolarHBondContact O-N 3.09Å; L314-E318 VanDerWaalsContact O-N 3.16Å; E318-Y320 PolarHBondContact O-N 3.37Å; E318-K321 PolarHBondContact O-N 3.38Å; E318-G322 PolarHBondContact O-N 3.27Å
319N54.6Low50.4Low104 Ų104138.5 Ų138.556%0.55663%0.631SS**Hα-helixtrans-65.2-35.9173.7-84-42.1000113.2I315 L316 K323I315-N319 PolarHBondContact O-N 2.89Å; I315-N319 PolarHBondContact O-ND2 3.21Å; I315-N319 VanDerWaalsContact O-ND2 3.1Å; L316-N319 PolarHBondContact O-N 3.22Å; N319-K323 PolarHBondContact O-N 3.15Å
320Y53.9Low50.1Low169 Ų169138.3 Ų138.366%0.66364%0.643SS**Hα-helixtrans-69.8-46.4175.6-111.3-91.4000112.1L316 E317 E318 G322 K323 E324L316-Y320 PolarHBondContact O-N 2.63Å; E317-Y320 PolarHBondContact O-N 3.04Å; E318-Y320 PolarHBondContact O-N 3.37Å; Y320-G322 VanDerWaalsContact C-N 3.29Å; Y320-G322 PolarHBondContact O-N 2.94Å; Y320-K323 PolarHBondContact O-N 3.09Å; Y320-K323 VanDerWaalsContact O-N 3.14Å; Y320-E324 PolarHBondContact O-N 3.46Å; Y320-E324 VanDerWaalsContact O-N 3.09Å
321K54.1Low49.8Very low141 Ų141146.6 Ų146.661%0.61367%0.665SS**Hα-helixtrans-62.3-35.5176.6-77.2179.1178.9169.90112.5E317 E318 E324 K325E317-K321 PolarHBondContact O-N 2.92Å; E318-K321 PolarHBondContact O-N 3.38Å; K321-E324 PolarHBondContact O-N 3.21Å; K321-K325 PolarHBondContact O-N 2.83Å
322G45.4Very low49.4Very low45 Ų45144.7 Ų144.746%0.46467%0.674SS.*Hα-helixtrans-63.7-36.9174.300000113.4E318 Y320E318-G322 PolarHBondContact O-N 3.27Å; Y320-G322 VanDerWaalsContact C-N 3.29Å; Y320-G322 PolarHBondContact O-N 2.94Å
323K51.8Low48.4Very low161 Ų161150.3 Ų150.370%0.769%0.69SS**Hα-helixtrans-74.2-34.2176.5-77.9-178.9177.8175.20112.9N319 Y320 K326 R327N319-K323 PolarHBondContact O-N 3.15Å; Y320-K323 PolarHBondContact O-N 3.09Å; Y320-K323 VanDerWaalsContact O-N 3.14Å; K323-K326 PolarHBondContact O-N 2.97Å; K323-R327 PolarHBondContact O-N 2.81Å
324E51.9Low47.7Very low124 Ų124150 Ų15058%0.57970%0.701SS**Hα-helixtrans-65.7-46.8175.2-78.7-168.915000112.7Y320 K321 K326 R327 E328Y320-E324 PolarHBondContact O-N 3.46Å; Y320-E324 VanDerWaalsContact O-N 3.09Å; K321-E324 PolarHBondContact O-N 3.21Å; E324-K326 PolarHBondContact O-N 3.43Å; E324-K326 VanDerWaalsContact O-N 3.15Å; E324-R327 WeakPolarHBondContact O-CA 2.9Å; E324-R327 PolarHBondContact O-N 2.78Å; E324-E328 PolarHBondContact O-N 2.71Å
325K45.2Very low46.8Very low164 Ų164150 Ų15071%0.71371%0.71SS**Hα-helixtrans-59-29.6176.3-89.5-177.7175.3176.30113.2K321K321-K325 PolarHBondContact O-N 2.83Å
326K45.4Very low45.6Very low183 Ų183150.3 Ų150.380%0.79672%0.722SS**Hα-helixtrans-77.5-26.1175.7-128.4177.9-176.7178.90112.7K323 E324K323-K326 PolarHBondContact O-N 2.97Å; E324-K326 PolarHBondContact O-N 3.43Å; E324-K326 VanDerWaalsContact O-N 3.15Å
327R45.9Very low44.8Very low214 Ų214150.2 Ų150.281%0.80873%0.728SS**Hα-helixtrans-86.8-36.6178.6-104.3-179166.1-174.2-2.8113.2K323 E324 R329 G330K323-R327 PolarHBondContact O-N 2.81Å; E324-R327 WeakPolarHBondContact O-CA 2.9Å; E324-R327 PolarHBondContact O-N 2.78Å; R327-R329 VanDerWaalsContact C-N 3.32Å; R327-R329 PolarHBondContact O-N 3.04Å; R327-G330 PolarHBondContact O-N 2.73Å; R327-G330 VanDerWaalsContact O-N 3.14Å
328E44.7Very low44Very low153 Ų153149.1 Ų149.172%0.71573%0.725SS**Hα-helixtrans-65.5-31.3178.6-90.1-174.6149.300113.2E324 G330E324-E328 PolarHBondContact O-N 2.71Å; E328-G330 PolarHBondContact O-N 2.85Å
329R44.3Very low42.9Very low241 Ų241145.9 Ų145.991%0.90972%0.72SS**THydrogen-bonded Turntrans-64.1-9.1173.5-84.5-175173.8-174.9-1.4114.2R327R327-R329 VanDerWaalsContact C-N 3.32Å; R327-R329 PolarHBondContact O-N 3.04Å
330G42.7Very low42.1Very low65 Ų65143.9 Ų143.967%0.6771%0.711SS**THydrogen-bonded Turntrans-111.1-3.5-17300000117.2R327 E328R327-G330 PolarHBondContact O-N 2.73Å; R327-G330 VanDerWaalsContact O-N 3.14Å; E328-G330 PolarHBondContact O-N 2.85Å
331R39.9Very low41.1Very low233 Ų233144.2 Ų144.288%0.87971%0.711SS**  trans-144.397.8-174.4-105.1179.8176.8162.9-0.6113.1
332V34.9Very low40.4Very low145 Ų145142 Ų14288%0.87971%0.705SS**  trans-119.3107.2158.6178.10000107.6
333R34.3Very low39.8Very low245 Ų245142.9 Ų142.993%0.92570%0.704SS**  trans-167.2141.9149.4-122.6176.6175.6178.5-1.4112.8
334D34.9Very low38.8Very low164 Ų164143.1 Ų143.188%0.87771%0.713SS**  trans-50.4141-169.2-72.2-55.4000117.9
335S33.8Very low38Very low116 Ų116146.7 Ų146.781%0.81174%0.743SS**  trans-143.5111.615762.70000110.3
336S33.7Very low37.7Very low113 Ų113145.9 Ų145.979%0.7974%0.744SS**PPolyproline II helixtrans-80.3142.6177.431.60000112.2
337P36.3Very low37.3Very low104 Ų104143.9 Ų143.968%0.67574%0.742SS**PPolyproline II helixtrans-75.8133.6-176.128.1-32.4000112.6
338L40.6Very low36.8Very low95 Ų95140 Ų14050%0.49774%0.738SS.*PPolyproline II helixtrans-76.9118175.7-80.6152000110.4
339S32.9Very low36.3Very low85 Ų85139.2 Ų139.259%0.59474%0.739SS**PPolyproline II helixtrans-93.7133.8170.959.40000111.3
340V37.8Very low35.8Very low62 Ų62132.9 Ų132.938%0.37673%0.729SS.*  trans-125.9132.9175.8-176.80000108.5I189I189-V340 HydrophobicContact CG2-CG1 4.08Å
341R32.3Very low35.4Very low176 Ų176137.4 Ų137.466%0.66473%0.733SS**  trans-97.4116.6-174-161.2-177.1-1671643.1109.2S343R341-S343 VanDerWaalsContact C-N 3.33Å; R341-S343 WeakPolarHBondContact CG-OG 3.46Å; R341-S343 PolarHBondContact NE-OG 2.89Å; R341-S343 PolarHBondContact O-N 2.8Å
342I38.7Very low35Very low95 Ų95130.6 Ų130.649%0.48772%0.722SS.*  trans-93.866.4172.1-51.6171.9000108.1I189 I190 Y268I189-I342 HydrophobicContact CG2-CD1 4.48Å; I189-I342 HydrophobicContact CG2-CG1 4.18Å; I190-I342 HydrophobicContact CG2-CD1 4.24Å; Y268-I342 HydrophobicContact CD2-CD1 4.44Å
343S34.2Very low35Very low62 Ų62129.5 Ų129.543%0.43471%0.71SS.*  trans-149.9110.2168.763.90000107.2R341R341-S343 VanDerWaalsContact C-N 3.33Å; R341-S343 WeakPolarHBondContact CG-OG 3.46Å; R341-S343 PolarHBondContact NE-OG 2.89Å; R341-S343 PolarHBondContact O-N 2.8Å
344N31Very low35.1Very low166 Ų166119.8 Ų119.889%0.88869%0.692SS**  trans109.165.3-175.4-55.93.3000112.8
345V35.2Very low35.1Very low200 Ų200115.8 Ų115.8100%1.21268%0.675SS**  trans-101.20139.9176.60000105.9

Retrieved 345 of 345 residues in 88.3 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).