A0A087XKL9_POEFO Loading...

Dehydrogenase/reductase (SDR family) member 7Ca

AlphaFold DB , UniProt , Accession A0A087XKL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M56Low68.7Low222 Ų222111.6 Ų111.6100%1.09460%0.602SS**  0113.20-89.3165.670.500106.7S3M1-S3 PolarHBondContact O-N 3.09Å
2D64.4Low69.8Low114 Ų114109.6 Ų109.661%0.6160%0.596SS**  trans-65.3129-169.8-67.2-30.7000111.5T4 W5D2-T4 PolarHBondContact O-N 3.42Å; D2-W5 WeakPolarHBondContact O-CB 3.12Å; D2-W5 PolarHBondContact O-N 3.44Å
3S67.3Low71Confident92 Ų92106.5 Ų106.564%0.64359%0.585SS**Hα-helixtrans-58.8-19.9-179.2-1770000113.5M1 T6 T7M1-S3 PolarHBondContact O-N 3.09Å; S3-T6 PolarHBondContact O-OG1 2.97Å; S3-T6 VanDerWaalsContact O-OG1 3.07Å; S3-T7 WeakPolarHBondContact O-CG2 3.37Å; S3-T7 PolarHBondContact O-N 2.86Å; S3-T7 PolarHBondContact O-OG1 3.46Å; S3-T7 VanDerWaalsContact O-OG1 3.09Å
4T67Low72.1Confident94 Ų94104 Ų10458%0.57758%0.578SS**Hα-helixtrans-77.5-29.8176.648.90000112.4D2 T7 T8D2-T4 PolarHBondContact O-N 3.42Å; T4-T7 WeakPolarHBondContact CA-OG1 3.28Å; T4-T7 PolarHBondContact O-OG1 2.74Å; T4-T8 WeakPolarHBondContact O-CB 3.33Å; T4-T8 PolarHBondContact O-N 3.06Å; T4-T8 PolarHBondContact O-OG1 3.33Å
5W62.5Low73.1Confident176 Ų176102.3 Ų102.367%0.66757%0.571SS**Hα-helixtrans-72.7-41.6177.5-107.492.2000111.4D2 T8 I9D2-W5 WeakPolarHBondContact O-CB 3.12Å; D2-W5 PolarHBondContact O-N 3.44Å; W5-T8 PolarHBondContact O-N 3.07Å; W5-I9 HydrophobicContact CE3-CD1 3.55Å; W5-I9 HydrophobicContact CE3-CG1 4.1Å; W5-I9 HydrophobicContact CZ3-CD1 3.86Å; W5-I9 HydrophobicContact CZ3-CG1 4.36Å; W5-I9 WeakPolarHBondContact O-CB 3.48Å; W5-I9 VanDerWaalsContact O-CG1 3.3Å; W5-I9 WeakPolarHBondContact O-CG1 3.38Å; W5-I9 PolarHBondContact O-N 2.97Å
6T66.8Low74.1Confident62 Ų62101.3 Ų101.338%0.3857%0.568SS.*Hα-helixtrans-68-39.117746.70000112.4S3 L10S3-T6 PolarHBondContact O-OG1 2.97Å; S3-T6 VanDerWaalsContact O-OG1 3.07Å; T6-L10 PolarHBondContact O-N 2.9Å
7T69.9Low75Confident74 Ų74101.4 Ų101.445%0.45457%0.571SS.*Hα-helixtrans-66.1-40.917546.10000112.4S3 T4 L10 V11S3-T7 WeakPolarHBondContact O-CG2 3.37Å; S3-T7 PolarHBondContact O-N 2.86Å; S3-T7 PolarHBondContact O-OG1 3.46Å; S3-T7 VanDerWaalsContact O-OG1 3.09Å; T4-T7 WeakPolarHBondContact CA-OG1 3.28Å; T4-T7 PolarHBondContact O-OG1 2.74Å; T7-L10 PolarHBondContact O-N 3.28Å; T7-V11 WeakPolarHBondContact O-CB 3.33Å; T7-V11 WeakPolarHBondContact O-CG2 3.48Å; T7-V11 PolarHBondContact O-N 3.49Å
8T68.1Low75.9Confident88 Ų88102.8 Ų102.854%0.5458%0.576SS.*Hα-helixtrans-69.9-38.9-179.4-49.70000111.7T4 W5 L10 V12T4-T8 WeakPolarHBondContact O-CB 3.33Å; T4-T8 PolarHBondContact O-N 3.06Å; T4-T8 PolarHBondContact O-OG1 3.33Å; W5-T8 PolarHBondContact O-N 3.07Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 2.94Å; T8-V12 WeakPolarHBondContact O-CG2 3.29Å; T8-V12 PolarHBondContact O-N 3.42Å
9I77Confident76.6Confident102 Ų102100.8 Ų100.852%0.52357%0.567SS.*Hα-helixtrans-63.9-33175.4-74.3174.1000112.2W5 P13W5-I9 HydrophobicContact CE3-CD1 3.55Å; W5-I9 HydrophobicContact CE3-CG1 4.1Å; W5-I9 HydrophobicContact CZ3-CD1 3.86Å; W5-I9 HydrophobicContact CZ3-CG1 4.36Å; W5-I9 WeakPolarHBondContact O-CB 3.48Å; W5-I9 VanDerWaalsContact O-CG1 3.3Å; W5-I9 WeakPolarHBondContact O-CG1 3.38Å; W5-I9 PolarHBondContact O-N 2.97Å; I9-P13 WeakPolarHBondContact O-CD 3.31Å; I9-P13 WeakPolarHBondContact O-CG 3.35Å
10L74.5Confident77.1Confident119 Ų11998.5 Ų98.562%0.62356%0.561SS**Hα-helixtrans-86.2-35.4-180-83.1158.8000113.1T6 T7 T8 P13 C14T6-L10 PolarHBondContact O-N 2.9Å; T7-L10 PolarHBondContact O-N 3.28Å; T8-L10 VanDerWaalsContact C-N 3.3Å; T8-L10 PolarHBondContact O-N 2.94Å; L10-P13 WeakPolarHBondContact O-CD 3.48Å; L10-C14 WeakPolarHBondContact O-CB 3.19Å; L10-C14 PolarHBondContact O-N 3.43Å; L10-C14 PolarHBondContact O-SG 3.06Å; L10-C14 VanDerWaalsContact O-SG 3.36Å
11V82Confident77.6Confident85 Ų8595.6 Ų95.652%0.51555%0.553SS.*Hα-helixtrans-70.4-40.9-176.8170.20000111.9T7 C14 V15T7-V11 WeakPolarHBondContact O-CB 3.33Å; T7-V11 WeakPolarHBondContact O-CG2 3.48Å; T7-V11 PolarHBondContact O-N 3.49Å; V11-C14 PolarHBondContact O-N 3.29Å; V11-V15 HydrophobicContact CG1-CG2 4.17Å; V11-V15 WeakPolarHBondContact O-CG2 3.3Å; V11-V15 PolarHBondContact O-N 3.47Å
12V82.6Confident79.2Confident87 Ų8791.5 Ų91.553%0.52753%0.529SS..Hα-helixtrans-62.8-50-177.8173.90000112.2T8 C14 V15 V16T8-V12 WeakPolarHBondContact O-CG2 3.29Å; T8-V12 PolarHBondContact O-N 3.42Å; V12-C14 VanDerWaalsContact C-N 3.34Å; V12-C14 PolarHBondContact O-N 2.87Å; V12-V15 PolarHBondContact O-N 3.17Å; V12-V16 WeakPolarHBondContact O-CG2 2.87Å; V12-V16 PolarHBondContact O-N 3.3Å
13P84.8Confident80.1Confident70 Ų7092.8 Ų92.846%0.45553%0.53SS..Hα-helixtrans-61-39.1174-23.734.5000113I9 L10 V15 V16 V17I9-P13 WeakPolarHBondContact O-CD 3.31Å; I9-P13 WeakPolarHBondContact O-CG 3.35Å; L10-P13 WeakPolarHBondContact O-CD 3.48Å; P13-V15 PolarHBondContact O-N 3.37Å; P13-V16 PolarHBondContact O-N 3.36Å; P13-V17 WeakPolarHBondContact O-CB 3.14Å; P13-V17 VanDerWaalsContact O-CG2 3.29Å; P13-V17 WeakPolarHBondContact O-CG2 3.46Å; P13-V17 PolarHBondContact O-N 2.68Å
14C86.4Confident81.1Confident71 Ų7197.2 Ų97.248%0.4853%0.534SS..Hα-helixtrans-61.5-44.1175.8-79.10000111.9L10 V11 V12 V17 L18L10-C14 WeakPolarHBondContact O-CB 3.19Å; L10-C14 PolarHBondContact O-N 3.43Å; L10-C14 PolarHBondContact O-SG 3.06Å; L10-C14 VanDerWaalsContact O-SG 3.36Å; V11-C14 PolarHBondContact O-N 3.29Å; V12-C14 VanDerWaalsContact C-N 3.34Å; V12-C14 PolarHBondContact O-N 2.87Å; C14-V17 PolarHBondContact O-N 3.41Å; C14-L18 VanDerWaalsContact O-CB 3.29Å; C14-L18 WeakPolarHBondContact O-CB 3.5Å; C14-L18 WeakPolarHBondContact O-CG 3.25Å; C14-L18 PolarHBondContact O-N 3.04Å
15V88Confident81.8Confident79 Ų7997.7 Ų97.748%0.47953%0.532SS..Hα-helixtrans-64.2-41.7175.8173.10000110.9V11 V12 P13 L18 T19V11-V15 HydrophobicContact CG1-CG2 4.17Å; V11-V15 WeakPolarHBondContact O-CG2 3.3Å; V11-V15 PolarHBondContact O-N 3.47Å; V12-V15 PolarHBondContact O-N 3.17Å; P13-V15 PolarHBondContact O-N 3.37Å; V15-L18 PolarHBondContact O-N 3.19Å; V15-T19 HydrophobicContact CG1-CG2 4.2Å; V15-T19 WeakPolarHBondContact O-CB 3.31Å; V15-T19 VanDerWaalsContact O-CG2 3.24Å; V15-T19 WeakPolarHBondContact O-CG2 3.48Å; V15-T19 PolarHBondContact O-N 3.43Å; V15-T19 PolarHBondContact O-OG1 2.89Å
16V88.3Confident82.6Confident86 Ų8695.7 Ų95.752%0.52153%0.525SS..Hα-helixtrans-62.9-44.5176.61730000111.4V12 P13 T19 A20V12-V16 WeakPolarHBondContact O-CG2 2.87Å; V12-V16 PolarHBondContact O-N 3.3Å; P13-V16 PolarHBondContact O-N 3.36Å; V16-T19 WeakPolarHBondContact CA-OG1 3.1Å; V16-T19 PolarHBondContact O-OG1 3.47Å; V16-A20 WeakPolarHBondContact O-CB 3.44Å; V16-A20 PolarHBondContact O-N 3.14Å
17V90Very high82.9Confident103 Ų10394.5 Ų94.562%0.62453%0.525SS*.Hα-helixtrans-67.6-42.2178.6171.90000111.3P13 C14 G21P13-V17 WeakPolarHBondContact O-CB 3.14Å; P13-V17 VanDerWaalsContact O-CG2 3.29Å; P13-V17 WeakPolarHBondContact O-CG2 3.46Å; P13-V17 PolarHBondContact O-N 2.68Å; C14-V17 PolarHBondContact O-N 3.41Å; V17-G21 PolarHBondContact O-N 2.87Å
18L90.5Very high83.1Confident126 Ų12692.6 Ų92.666%0.6652%0.517SS*.Hα-helixtrans-66.2-42.9177.7-73171.5000111.8C14 V15 G21 F22C14-L18 VanDerWaalsContact O-CB 3.29Å; C14-L18 WeakPolarHBondContact O-CB 3.5Å; C14-L18 WeakPolarHBondContact O-CG 3.25Å; C14-L18 PolarHBondContact O-N 3.04Å; V15-L18 PolarHBondContact O-N 3.19Å; L18-G21 PolarHBondContact O-N 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.48Å; L18-F22 PolarHBondContact O-N 3.44Å
19T88.8Confident83.5Confident65 Ų6592.4 Ų92.440%0.39951%0.512SS..Hα-helixtrans-66.2-4617651.50000111.1V15 V16 G21 F22 F23V15-T19 HydrophobicContact CG1-CG2 4.2Å; V15-T19 WeakPolarHBondContact O-CB 3.31Å; V15-T19 VanDerWaalsContact O-CG2 3.24Å; V15-T19 WeakPolarHBondContact O-CG2 3.48Å; V15-T19 PolarHBondContact O-N 3.43Å; V15-T19 PolarHBondContact O-OG1 2.89Å; V16-T19 WeakPolarHBondContact CA-OG1 3.1Å; V16-T19 PolarHBondContact O-OG1 3.47Å; T19-G21 VanDerWaalsContact C-N 3.34Å; T19-G21 PolarHBondContact O-N 3.5Å; T19-F22 PolarHBondContact O-N 2.82Å; T19-F23 WeakPolarHBondContact O-CD2 3.44Å; T19-F23 PolarHBondContact O-N 3.47Å
20A86.8Confident83.1Confident55 Ų5589.3 Ų89.346%0.45550%0.496SS..Hα-helixtrans-60.1-42.9174.800000112.1V16 F23 Y24V16-A20 WeakPolarHBondContact O-CB 3.44Å; V16-A20 PolarHBondContact O-N 3.14Å; A20-F23 PolarHBondContact O-N 2.93Å; A20-Y24 WeakPolarHBondContact O-CB 3.18Å; A20-Y24 PolarHBondContact O-N 3.21Å
21G88.2Confident82.7Confident37 Ų3786.6 Ų86.638%0.38149%0.487SS..Hα-helixtrans-63.2-40.6175.700000112.6V17 L18 T19 Y24 L25V17-G21 PolarHBondContact O-N 2.87Å; L18-G21 PolarHBondContact O-N 3.27Å; T19-G21 VanDerWaalsContact C-N 3.34Å; T19-G21 PolarHBondContact O-N 3.5Å; G21-Y24 PolarHBondContact O-N 3.43Å; G21-L25 VanDerWaalsContact O-CB 3.31Å; G21-L25 WeakPolarHBondContact O-CB 3.24Å; G21-L25 PolarHBondContact O-N 2.87Å
22F89.7Confident82Confident136 Ų13688 Ų8860%0.59649%0.491SS*.Hα-helixtrans-62.6-47.1173.1179.2-94.8000111.7L18 T19 Y24 L25 Y26L18-F22 WeakPolarHBondContact O-CB 3.48Å; L18-F22 PolarHBondContact O-N 3.44Å; T19-F22 PolarHBondContact O-N 2.82Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 3.48Å; F22-L25 PolarHBondContact O-N 3.39Å; F22-Y26 WeakPolarHBondContact O-CB 3.33Å; F22-Y26 PolarHBondContact O-N 3.28Å
23F83.9Confident81.3Confident142 Ų14288.5 Ų88.562%0.62349%0.49SS*.Hα-helixtrans-63.6-38.9176.7-80.1-68.3000112.4T19 A20 G27T19-F23 WeakPolarHBondContact O-CD2 3.44Å; T19-F23 PolarHBondContact O-N 3.47Å; A20-F23 PolarHBondContact O-N 2.93Å; F23-G27 PolarHBondContact O-N 3.17Å
24Y87.1Confident80.2Confident185 Ų18586.1 Ų86.173%0.72548%0.475SS*.Hα-helixtrans-63.4-50.1175.1179.7-94000111.3A20 G21 F22 Y26 G27 A28A20-Y24 WeakPolarHBondContact O-CB 3.18Å; A20-Y24 PolarHBondContact O-N 3.21Å; G21-Y24 PolarHBondContact O-N 3.43Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 3.48Å; Y24-Y26 PolarHBondContact O-N 2.9Å; Y24-G27 PolarHBondContact O-N 2.93Å; Y24-A28 WeakPolarHBondContact O-CB 3.41Å; Y24-A28 PolarHBondContact O-N 3.39Å
25L82.5Confident79.2Confident103 Ų10388.4 Ų88.454%0.53948%0.477SS..Hα-helixtrans-63.2-42.8179-174.167.3000111.4G21 F22 G27 A28 I29G21-L25 VanDerWaalsContact O-CB 3.31Å; G21-L25 WeakPolarHBondContact O-CB 3.24Å; G21-L25 PolarHBondContact O-N 2.87Å; F22-L25 PolarHBondContact O-N 3.39Å; L25-G27 PolarHBondContact O-N 3.38Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-I29 HydrophobicContact CD1-CD1 4.44Å; L25-I29 HydrophobicContact CG-CD1 4Å; L25-I29 WeakPolarHBondContact O-CB 3.34Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.72Å
26Y78.7Confident78.3Confident134 Ų13489.3 Ų89.353%0.52548%0.483SS..Hα-helixtrans-59.1-46.5173.6178.8-100.5000111.2F22 Y24 A28 I29 I30F22-Y26 WeakPolarHBondContact O-CB 3.33Å; F22-Y26 PolarHBondContact O-N 3.28Å; Y24-Y26 PolarHBondContact O-N 2.9Å; Y26-A28 PolarHBondContact O-N 3.44Å; Y26-I29 PolarHBondContact O-N 2.99Å; Y26-I30 HydrophobicContact CD1-CG1 4.33Å; Y26-I30 HydrophobicContact CD2-CG1 4.47Å; Y26-I30 HydrophobicContact CE1-CG1 3.98Å; Y26-I30 HydrophobicContact CE2-CD1 4.29Å; Y26-I30 HydrophobicContact CE2-CG1 4.12Å; Y26-I30 WeakPolarHBondContact O-CB 3.37Å; Y26-I30 VanDerWaalsContact O-CG1 3.25Å; Y26-I30 WeakPolarHBondContact O-CG1 3.17Å; Y26-I30 PolarHBondContact O-N 3.47Å
27G74.3Confident77.7Confident37 Ų3787.3 Ų87.338%0.38147%0.472SS..Hα-helixtrans-59.5-43.917500000112.8F23 Y24 L25 I30 S31F23-G27 PolarHBondContact O-N 3.17Å; Y24-G27 PolarHBondContact O-N 2.93Å; L25-G27 PolarHBondContact O-N 3.38Å; G27-I30 PolarHBondContact O-N 3.33Å; G27-S31 WeakPolarHBondContact O-CB 3.44Å; G27-S31 PolarHBondContact O-N 3.24Å
28A73.9Confident77.6Confident35 Ų3582.5 Ų82.529%0.28944%0.444SS..Hα-helixtrans-64.5-44.5177.900000112.2Y24 L25 Y26 S31 L32Y24-A28 WeakPolarHBondContact O-CB 3.41Å; Y24-A28 PolarHBondContact O-N 3.39Å; L25-A28 PolarHBondContact O-N 3.47Å; Y26-A28 PolarHBondContact O-N 3.44Å; A28-S31 PolarHBondContact O-N 3.36Å; A28-L32 PolarHBondContact O-N 3.25Å
29I75.6Confident77.6Confident83 Ų8383.5 Ų83.543%0.42644%0.439SS..Hα-helixtrans-62.1-46.7176.1-70.1168.4000110.3L25 Y26 S31 L32 L33L25-I29 HydrophobicContact CD1-CD1 4.44Å; L25-I29 HydrophobicContact CG-CD1 4Å; L25-I29 WeakPolarHBondContact O-CB 3.34Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 2.72Å; Y26-I29 PolarHBondContact O-N 2.99Å; I29-S31 VanDerWaalsContact C-N 3.28Å; I29-S31 PolarHBondContact O-N 2.86Å; I29-L32 PolarHBondContact O-N 3.44Å; I29-L32 VanDerWaalsContact O-N 3.17Å; I29-L33 HydrophobicContact CG2-CD1 3.81Å; I29-L33 HydrophobicContact CG2-CG 4.3Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 VanDerWaalsContact O-CG 3.31Å; I29-L33 WeakPolarHBondContact O-CG 3.38Å; I29-L33 PolarHBondContact O-N 2.85Å
30I68.5Low77.9Confident38 Ų3884 Ų8420%0.19544%0.438CS..Hα-helixtrans-60.9-39.6176.8-68.4-66.6000110.9Y26 G27 L33 S34 R264Y26-I30 HydrophobicContact CD1-CG1 4.33Å; Y26-I30 HydrophobicContact CD2-CG1 4.47Å; Y26-I30 HydrophobicContact CE1-CG1 3.98Å; Y26-I30 HydrophobicContact CE2-CD1 4.29Å; Y26-I30 HydrophobicContact CE2-CG1 4.12Å; Y26-I30 WeakPolarHBondContact O-CB 3.37Å; Y26-I30 VanDerWaalsContact O-CG1 3.25Å; Y26-I30 WeakPolarHBondContact O-CG1 3.17Å; Y26-I30 PolarHBondContact O-N 3.47Å; G27-I30 PolarHBondContact O-N 3.33Å; I30-L33 PolarHBondContact O-N 2.87Å; I30-S34 VanDerWaalsContact O-CB 3.22Å; I30-S34 WeakPolarHBondContact O-CB 3.02Å; I30-S34 PolarHBondContact O-N 3.42Å; I30-S34 PolarHBondContact O-OG 2.84Å; I30-R264 HydrophobicContact CG2-CG 4.23Å
31S66.5Low78.3Confident61 Ų6185 Ų8543%0.42743%0.433SS..Hα-helixtrans-66.5-33.9175.9-177.10000113.4G27 A28 I29 S34 K35G27-S31 WeakPolarHBondContact O-CB 3.44Å; G27-S31 PolarHBondContact O-N 3.24Å; A28-S31 PolarHBondContact O-N 3.36Å; I29-S31 VanDerWaalsContact C-N 3.28Å; I29-S31 PolarHBondContact O-N 2.86Å; S31-S34 WeakPolarHBondContact CA-OG 3.35Å; S31-S34 PolarHBondContact O-OG 3.28Å; S31-K35 PolarHBondContact O-N 2.92Å
32L67.9Low78.7Confident116 Ų11683.4 Ų83.461%0.60742%0.415SS*.Hα-helixtrans-70.9-44.8174.5-86151.2000111.3A28 I29 S34 K35 T36A28-L32 PolarHBondContact O-N 3.25Å; I29-L32 PolarHBondContact O-N 3.44Å; I29-L32 VanDerWaalsContact O-N 3.17Å; L32-S34 VanDerWaalsContact C-N 3.29Å; L32-S34 PolarHBondContact O-N 2.96Å; L32-K35 PolarHBondContact O-N 2.8Å; L32-T36 PolarHBondContact O-N 2.86Å; L32-T36 VanDerWaalsContact O-N 3.14Å; L32-T36 PolarHBondContact O-OG1 3.3Å
33L66.8Low79.1Confident96 Ų9676.9 Ų76.950%0.50339%0.387SS..Hα-helixtrans-63.5-36.1175.5-68173.1000111.7I29 I30 T36 S37I29-L33 HydrophobicContact CG2-CD1 3.81Å; I29-L33 HydrophobicContact CG2-CG 4.3Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 VanDerWaalsContact O-CG 3.31Å; I29-L33 WeakPolarHBondContact O-CG 3.38Å; I29-L33 PolarHBondContact O-N 2.85Å; I30-L33 PolarHBondContact O-N 2.87Å; L33-T36 PolarHBondContact O-N 2.88Å; L33-S37 PolarHBondContact O-N 2.84Å
34S60.9Low79.8Confident21 Ų2170.1 Ų70.115%0.14736%0.357CS..Hα-helixtrans-64.7-42.5176.5800000112.9I30 S31 L32 T36 S37 V263 N267I30-S34 VanDerWaalsContact O-CB 3.22Å; I30-S34 WeakPolarHBondContact O-CB 3.02Å; I30-S34 PolarHBondContact O-N 3.42Å; I30-S34 PolarHBondContact O-OG 2.84Å; S31-S34 WeakPolarHBondContact CA-OG 3.35Å; S31-S34 PolarHBondContact O-OG 3.28Å; L32-S34 VanDerWaalsContact C-N 3.29Å; L32-S34 PolarHBondContact O-N 2.96Å; S34-T36 VanDerWaalsContact C-N 3.32Å; S34-T36 PolarHBondContact O-N 3.45Å; S34-S37 PolarHBondContact O-N 3.07Å; S34-V263 VanDerWaalsContact CB-CG1 3.49Å; S34-N267 WeakPolarHBondContact CA-ND2 3.23Å
35K66.7Low80.4Confident119 Ų11961.3 Ų61.352%0.51732%0.323SS..Hα-helixtrans-60.8-41.5171.8-74.6-176.8179-174.30112S31 L32 S37 R39S31-K35 PolarHBondContact O-N 2.92Å; L32-K35 PolarHBondContact O-N 2.8Å; K35-S37 VanDerWaalsContact C-N 3.33Å; K35-S37 PolarHBondContact O-N 3.21Å; K35-R39 PolarHBondContact O-N 3.32Å
36T68.3Low81.1Confident98 Ų9856.4 Ų56.460%0.60130%0.297SS*.Hα-helixtrans-67.8-34.1-177.4-47.10000112.4L32 L33 S34L32-T36 PolarHBondContact O-N 2.86Å; L32-T36 VanDerWaalsContact O-N 3.14Å; L32-T36 PolarHBondContact O-OG1 3.3Å; L33-T36 PolarHBondContact O-N 2.88Å; S34-T36 VanDerWaalsContact C-N 3.32Å; S34-T36 PolarHBondContact O-N 3.45Å
37S76.3Confident81.9Confident43 Ų4352.2 Ų52.230%0.30128%0.284SS..Hα-helixtrans-67.5-36.1-176-178.90000114.2L33 S34 K35 K41 N267L33-S37 PolarHBondContact O-N 2.84Å; S34-S37 PolarHBondContact O-N 3.07Å; K35-S37 VanDerWaalsContact C-N 3.33Å; K35-S37 PolarHBondContact O-N 3.21Å; S37-K41 WeakPolarHBondContact O-CG 3.46Å; S37-N267 WeakPolarHBondContact CB-OD1 3.19Å; S37-N267 PolarHBondContact OG-OD1 2.8Å
38V87.6Confident83Confident3 Ų350.5 Ų50.52%0.01827%0.266CS..Hα-helixtrans-95.7-7.2-176.2-570000113N40 K41 F60 A65 V263V38-N40 PolarHBondContact O-N 3.01Å; V38-K41 WeakPolarHBondContact O-CB 3.36Å; V38-K41 PolarHBondContact O-N 2.91Å; V38-K41 VanDerWaalsContact O-N 3.1Å; V38-F60 HydrophobicContact CB-CD1 3.86Å; V38-F60 HydrophobicContact CB-CE1 4.18Å; V38-F60 HydrophobicContact CG1-CD1 3.64Å; V38-F60 HydrophobicContact CG1-CE1 3.45Å; V38-F60 VanDerWaalsContact CG1-CE1 3.45Å; V38-F60 HydrophobicContact CG2-CD1 4.28Å; V38-A65 HydrophobicContact CB-CB 4.47Å; V38-A65 WeakPolarHBondContact O-CA 3.46Å; V38-A65 WeakPolarHBondContact O-CB 3.32Å; V38-V263 HydrophobicContact CG1-CG1 4.17Å
39R91.7Very high84.1Confident147 Ų14750.5 Ų50.556%0.55526%0.261SS*.THydrogen-bonded Turntrans-60.3130.6-178.3-169.8176.1-176.6177.32110.7K35 K41 G63K35-R39 PolarHBondContact O-N 3.32Å; R39-K41 PolarHBondContact O-N 3.07Å; R39-G63 WeakPolarHBondContact CA-O 3.38Å
40N93.3Very high84.9Confident74 Ų7448 Ų4840%0.39625%0.25SS..THydrogen-bonded Turntrans60.35.4-177.3-63.8-43.8000115.3V38 G64 R66 F94V38-N40 PolarHBondContact O-N 3.01Å; N40-G64 PolarHBondContact N-O 3.01Å; N40-R66 PolarHBondContact O-NH1 3.15Å; N40-F94 VanDerWaalsContact OD1-CE2 3.28Å; N40-F94 WeakPolarHBondContact OD1-CE2 3.31Å; N40-F94 VanDerWaalsContact OD1-CZ 3.27Å; N40-F94 WeakPolarHBondContact OD1-CZ 2.83Å
41K95.6Very high86Confident78 Ų7847.5 Ų47.534%0.33926%0.255SS..  trans-76.7141174.8-64.1-61.2-172176.90110.1S37 V38 R39 V43 R66 D124 I125S37-K41 WeakPolarHBondContact O-CG 3.46Å; V38-K41 WeakPolarHBondContact O-CB 3.36Å; V38-K41 PolarHBondContact O-N 2.91Å; V38-K41 VanDerWaalsContact O-N 3.1Å; R39-K41 PolarHBondContact O-N 3.07Å; K41-V43 HydrophobicContact CB-CG2 4.2Å; K41-R66 PolarHBondContact O-N 3.41Å; K41-D124 WeakPolarHBondContact CA-OD2 3.47Å; K41-D124 HydrophobicContact CB-CB 4.12Å; K41-D124 HydrophobicContact CD-CB 3.84Å; K41-D124 IonicContact NZ-OD1 3.96Å; K41-I125 HydrophobicContact CB-CD1 4.13Å; K41-I125 HydrophobicContact CG-CD1 4.38Å
42V97.8Very high87.3Confident2 Ų244.9 Ų44.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-83.5115.7170.4-176.90000108.7R66 I68 Y120 C122 L123 D124 I125V42-R66 WeakPolarHBondContact CA-O 3.34Å; V42-R66 HydrophobicContact CG2-CB 4.13Å; V42-I68 HydrophobicContact CG1-CD1 3.84Å; V42-I68 HydrophobicContact CG1-CG1 4.38Å; V42-Y120 HydrophobicContact CG1-CD2 3.66Å; V42-Y120 HydrophobicContact CG1-CG 4.23Å; V42-Y120 HydrophobicContact CG2-CD2 4.2Å; V42-Y120 HydrophobicContact CG2-CG 4.02Å; V42-C122 VanDerWaalsContact CB-O 3.23Å; V42-C122 WeakPolarHBondContact CB-O 3.46Å; V42-C122 WeakPolarHBondContact CG1-O 3.33Å; V42-C122 WeakPolarHBondContact CG2-O 3.47Å; V42-L123 HydrophobicContact CG1-CD1 4.25Å; V42-D124 PolarHBondContact N-OD2 3.41Å; V42-D124 PolarHBondContact O-N 3.33Å; V42-D124 VanDerWaalsContact O-N 3.07Å; V42-I125 PolarHBondContact O-N 3.08Å
43V98.3Very high88.6Confident0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-121.3119.5-173.7-173.90000109.6K41 I45 F60 A65 R66 L67 I68 I125 I127K41-V43 HydrophobicContact CB-CG2 4.2Å; V43-I45 HydrophobicContact CG1-CG1 4.19Å; V43-F60 HydrophobicContact CB-CD1 4.46Å; V43-F60 HydrophobicContact CG1-CD1 4.04Å; V43-F60 HydrophobicContact CG1-CE1 4.15Å; V43-F60 HydrophobicContact CG1-CG 4.36Å; V43-F60 HydrophobicContact CG2-CD1 3.98Å; V43-F60 HydrophobicContact CG2-CE1 4.35Å; V43-A65 HydrophobicContact CG2-CB 3.84Å; V43-R66 PolarHBondContact N-O 3.21Å; V43-L67 HydrophobicContact CB-CD2 3.9Å; V43-L67 HydrophobicContact CG1-CD2 4.37Å; V43-L67 WeakPolarHBondContact O-CA 3.43Å; V43-I68 PolarHBondContact O-N 3.47Å; V43-I125 CarbonylContact C-O 3.45Å; V43-I125 WeakPolarHBondContact CA-O 3.4Å; V43-I125 HydrophobicContact CB-CB 4.47Å; V43-I125 HydrophobicContact CG1-CB 4.21Å; V43-I125 HydrophobicContact CG1-CG2 4.12Å; V43-I125 HydrophobicContact CG2-CB 4.12Å; V43-I125 HydrophobicContact CG2-CD1 3.96Å; V43-I127 HydrophobicContact CG1-CD1 3.97Å; V43-I127 HydrophobicContact CG1-CG1 4.43Å
44V98.6Very high90Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-96.8132.5172.2177.70000109.3I68 V116 L123 I125 L126 I127V44-I68 WeakPolarHBondContact CA-O 3.38Å; V44-I68 HydrophobicContact CB-CB 4.4Å; V44-I68 HydrophobicContact CG2-CB 3.79Å; V44-I68 HydrophobicContact CG2-CD1 3.64Å; V44-I68 HydrophobicContact CG2-CG1 4.21Å; V44-I68 HydrophobicContact CG2-CG2 4.26Å; V44-V116 HydrophobicContact CG1-CG2 4.5Å; V44-V116 HydrophobicContact CG2-CG1 3.58Å; V44-L123 HydrophobicContact CB-CD1 4.1Å; V44-L123 HydrophobicContact CG2-CD1 3.28Å; V44-L123 HydrophobicContact CG2-CD2 4.34Å; V44-L123 HydrophobicContact CG2-CG 4.45Å; V44-I125 PolarHBondContact N-O 3.29Å; V44-L126 HydrophobicContact CB-CD1 3.53Å; V44-L126 HydrophobicContact CG1-CD1 3.39Å; V44-I127 PolarHBondContact O-N 3.05Å
45I98.5Very high91.7Very high0 Ų041.9 Ų41.90%021%0.213CC..EExtended strand (participates in β ladder)trans-121.4111.4176.4-54.6176.6000108.6V43 A48 C56 A57 F60 L67 I68 L69 C70 I127V43-I45 HydrophobicContact CG1-CG1 4.19Å; I45-A48 HydrophobicContact CG2-CB 4.3Å; I45-C56 HydrophobicContact CD1-CB 4.02Å; I45-A57 HydrophobicContact CD1-CB 4.19Å; I45-F60 HydrophobicContact CD1-CD2 4.29Å; I45-L67 HydrophobicContact CD1-CD2 4.27Å; I45-I68 PolarHBondContact N-O 3.18Å; I45-L69 HydrophobicContact CD1-CD2 4.47Å; I45-C70 PolarHBondContact O-N 3.14Å; I45-I127 HydrophobicContact CG1-CD1 4.32Å
46T98.1Very high93Very high0 Ų036.2 Ų36.20%019%0.188CC..THydrogen-bonded Turntrans-76.1141.2174.270.60000110.7A48 L101 F103 L126 I127 F128 N129 S130 L160T46-A48 VanDerWaalsContact C-N 3.33Å; T46-L101 HydrophobicContact CG2-CD2 4Å; T46-F103 HydrophobicContact CG2-CE2 4.49Å; T46-F103 HydrophobicContact CG2-CZ 4.03Å; T46-L126 HydrophobicContact CG2-CD1 4.21Å; T46-I127 PolarHBondContact N-O 3.48Å; T46-I127 VanDerWaalsContact N-O 3.08Å; T46-I127 PolarHBondContact OG1-O 2.84Å; T46-F128 WeakPolarHBondContact OG1-CA 3.41Å; T46-N129 WeakPolarHBondContact O-CB 3.43Å; T46-N129 PolarHBondContact O-ND2 3.17Å; T46-N129 PolarHBondContact OG1-N 2.85Å; T46-S130 PolarHBondContact OG1-N 2.95Å; T46-L160 HydrophobicContact CG2-CD2 3.63Å
47D95.3Very high94.4Very high46 Ų4631.5 Ų31.525%0.24616%0.159CC..THydrogen-bonded Turntrans55.149.2-177.5-170.225.5000112L49 S50 C70 N129D47-L49 PolarHBondContact O-N 2.84Å; D47-S50 WeakPolarHBondContact O-CB 3.44Å; D47-S50 PolarHBondContact O-N 3.1Å; D47-S50 PolarHBondContact O-OG 3.48Å; D47-S50 WeakPolarHBondContact OD2-CB 3.28Å; D47-C70 WeakPolarHBondContact CA-O 3.22Å; D47-C70 PolarHBondContact N-O 3.34Å; D47-N129 PolarHBondContact O-ND2 2.66Å; D47-N129 VanDerWaalsContact O-ND2 3.12Å
48A96.9Very high95.3Very high0 Ų029.8 Ų29.80%015%0.148CC..THydrogen-bonded Turntrans-61.1-21.8-178.800000113.1I45 T46 S50 G53 K54 L69 C70 L77 L80I45-A48 HydrophobicContact CG2-CB 4.3Å; T46-A48 VanDerWaalsContact C-N 3.33Å; A48-S50 VanDerWaalsContact C-N 3.33Å; A48-G53 CarbonylContact O-C 3.47Å; A48-K54 WeakPolarHBondContact O-CG 3.39Å; A48-K54 PolarHBondContact O-N 3.45Å; A48-L69 HydrophobicContact CB-CB 3.94Å; A48-L69 HydrophobicContact CB-CD2 4Å; A48-C70 PolarHBondContact N-O 3.24Å; A48-L77 HydrophobicContact CB-CD2 4.32Å; A48-L80 HydrophobicContact CB-CD2 4.27Å
49L96Very high95.5Very high36 Ų3631.6 Ų31.619%0.18816%0.159CC..THydrogen-bonded Turntrans-78.8-15-179.3-59.1178.9000113.6D47 K54 K76 L77 L80D47-L49 PolarHBondContact O-N 2.84Å; L49-K54 WeakPolarHBondContact O-CE 3.38Å; L49-K76 HydrophobicContact CD1-CB 3.62Å; L49-K76 HydrophobicContact CD1-CD 4.32Å; L49-K76 HydrophobicContact CD2-CB 3.86Å; L49-K76 VanDerWaalsContact CD2-O 3.24Å; L49-K76 WeakPolarHBondContact CD2-O 3.49Å; L49-K76 HydrophobicContact CG-CB 4.37Å; L49-L77 HydrophobicContact CD1-CD2 4.47Å; L49-L77 HydrophobicContact CD1-CG 4.29Å; L49-L77 HydrophobicContact CD2-CD2 3.86Å; L49-L77 HydrophobicContact CD2-CG 4.18Å; L49-L77 HydrophobicContact CG-CD2 3.98Å; L49-L77 HydrophobicContact CG-CG 4.32Å; L49-L80 HydrophobicContact CD2-CB 4.33Å; L49-L80 HydrophobicContact CD2-CD2 4.12Å
50S93.8Very high95.7Very high29 Ų2924.6 Ų24.620%0.20313%0.132CC..SBendtrans-66.5158.5174.967.70000111.8D47 A48 L52 G53 K54 N129D47-S50 WeakPolarHBondContact O-CB 3.44Å; D47-S50 PolarHBondContact O-N 3.1Å; D47-S50 PolarHBondContact O-OG 3.48Å; D47-S50 WeakPolarHBondContact OD2-CB 3.28Å; A48-S50 VanDerWaalsContact C-N 3.33Å; S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 3.43Å; S50-G53 CarbonylContact O-C 3.5Å; S50-G53 WeakPolarHBondContact O-CA 3.42Å; S50-G53 PolarHBondContact O-N 3.05Å; S50-G53 PolarHBondContact OG-N 3.1Å; S50-G53 VanDerWaalsContact OG-N 3.08Å; S50-K54 WeakPolarHBondContact O-CG 3.27Å; S50-K54 PolarHBondContact O-N 2.84Å; S50-N129 PolarHBondContact OG-ND2 2.81Å
51G91.6Very high95.8Very high28 Ų2821 Ų2129%0.28911%0.114SC..Hα-helixtrans-56.1-38.9-179.500000114E55G51-E55 PolarHBondContact O-N 3.04Å
52L93.4Very high95.6Very high7 Ų723.5 Ų23.54%0.03712%0.121CC..Hα-helixtrans-74.1-38.5173.1178.158000112.2S50 K54 E55 C56 N129 V179 I227 P255 V258 A259 I262S50-L52 VanDerWaalsContact C-N 3.28Å; S50-L52 PolarHBondContact O-N 3.43Å; L52-K54 VanDerWaalsContact C-N 3.34Å; L52-K54 PolarHBondContact O-N 3.12Å; L52-E55 PolarHBondContact O-N 2.63Å; L52-C56 WeakPolarHBondContact O-CB 3.29Å; L52-C56 PolarHBondContact O-N 2.98Å; L52-C56 PolarHBondContact O-SG 3.44Å; L52-N129 VanDerWaalsContact CD2-OD1 3.31Å; L52-N129 WeakPolarHBondContact CD2-OD1 3.42Å; L52-N129 WeakPolarHBondContact CG-OD1 3.42Å; L52-V179 HydrophobicContact CD2-CG1 3.73Å; L52-I227 HydrophobicContact CB-CD1 4.35Å; L52-I227 HydrophobicContact CD2-CD1 3.79Å; L52-P255 WeakPolarHBondContact CD1-O 3.27Å; L52-V258 HydrophobicContact CD1-CB 3.72Å; L52-V258 HydrophobicContact CD1-CG1 3.83Å; L52-V258 HydrophobicContact CD2-CB 4.24Å; L52-V258 HydrophobicContact CD2-CG1 3.62Å; L52-V258 HydrophobicContact CG-CG1 4.41Å; L52-A259 HydrophobicContact CD1-CB 4.35Å; L52-I262 HydrophobicContact CD1-CD1 4.48Å
53G95.9Very high95.3Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-57.3-45.9176.100000112.2A48 S50 C56 A57A48-G53 CarbonylContact O-C 3.47Å; S50-G53 CarbonylContact O-C 3.5Å; S50-G53 WeakPolarHBondContact O-CA 3.42Å; S50-G53 PolarHBondContact O-N 3.05Å; S50-G53 PolarHBondContact OG-N 3.1Å; S50-G53 VanDerWaalsContact OG-N 3.08Å; G53-C56 PolarHBondContact O-N 2.89Å; G53-A57 WeakPolarHBondContact O-CB 3.39Å; G53-A57 PolarHBondContact O-N 2.83Å
54K96.3Very high95.1Very high87 Ų8723.9 Ų23.938%0.37813%0.125SC..Hα-helixtrans-62.9-45.8177.8-69.5-169.7175.1-153.50112.1A48 L49 S50 L52 C56 A57 G58 L80A48-K54 WeakPolarHBondContact O-CG 3.39Å; A48-K54 PolarHBondContact O-N 3.45Å; L49-K54 WeakPolarHBondContact O-CE 3.38Å; S50-K54 WeakPolarHBondContact O-CG 3.27Å; S50-K54 PolarHBondContact O-N 2.84Å; L52-K54 VanDerWaalsContact C-N 3.34Å; L52-K54 PolarHBondContact O-N 3.12Å; K54-C56 PolarHBondContact O-N 3.43Å; K54-A57 PolarHBondContact O-N 3.36Å; K54-G58 PolarHBondContact O-N 2.84Å; K54-L80 HydrophobicContact CB-CD1 4.48Å; K54-L80 HydrophobicContact CD-CD1 4.43Å; K54-L80 HydrophobicContact CG-CD1 4.05Å; K54-L80 HydrophobicContact CG-CD2 4.22Å
55E95.1Very high94.9Very high82 Ų8223.9 Ų23.938%0.38313%0.125SC..Hα-helixtrans-63.1-42.5176-73.9-52.6147.900112.2G51 L52 G58 V59 P255 A259G51-E55 PolarHBondContact O-N 3.04Å; L52-E55 PolarHBondContact O-N 2.63Å; E55-G58 PolarHBondContact O-N 2.9Å; E55-V59 VanDerWaalsContact O-CG2 3.31Å; E55-V59 WeakPolarHBondContact O-CG2 3.27Å; E55-V59 PolarHBondContact O-N 3.24Å; E55-P255 HydrophobicContact CB-CB 4.32Å; E55-P255 HydrophobicContact CG-CB 3.68Å; E55-A259 HydrophobicContact CB-CB 4.17Å
56C95.5Very high94.9Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-59-53.6173.5-68.10000109.9I45 L52 G53 K54 G58 V59 F60 I262I45-C56 HydrophobicContact CD1-CB 4.02Å; L52-C56 WeakPolarHBondContact O-CB 3.29Å; L52-C56 PolarHBondContact O-N 2.98Å; L52-C56 PolarHBondContact O-SG 3.44Å; G53-C56 PolarHBondContact O-N 2.89Å; K54-C56 PolarHBondContact O-N 3.43Å; C56-G58 VanDerWaalsContact C-N 3.26Å; C56-G58 PolarHBondContact O-N 2.83Å; C56-V59 PolarHBondContact O-N 2.88Å; C56-F60 HydrophobicContact CB-CD2 4.18Å; C56-F60 HydrophobicContact CB-CE2 4.26Å; C56-F60 WeakPolarHBondContact O-CD2 3.44Å; C56-F60 PolarHBondContact O-N 3.24Å; C56-I262 VanDerWaalsContact SG-CD1 3.53Å
57A96.9Very high94.9Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-53.4-45.1179.600000111.6I45 G53 K54 F60 H61 L67 L69 L84I45-A57 HydrophobicContact CD1-CB 4.19Å; G53-A57 WeakPolarHBondContact O-CB 3.39Å; G53-A57 PolarHBondContact O-N 2.83Å; K54-A57 PolarHBondContact O-N 3.36Å; A57-F60 PolarHBondContact O-N 3.09Å; A57-H61 WeakPolarHBondContact O-CB 3.34Å; A57-H61 PolarHBondContact O-N 3.06Å; A57-L67 HydrophobicContact CB-CD1 4.29Å; A57-L67 WeakPolarHBondContact O-CD1 3.37Å; A57-L69 HydrophobicContact CB-CD2 3.8Å; A57-L84 HydrophobicContact CB-CD1 3.87Å; A57-L84 HydrophobicContact CB-CD2 4.46Å
58G94.8Very high95Very high6 Ų625 Ų256%0.06213%0.126CC..Hα-helixtrans-59.2-47.5174.200000113.8K54 E55 C56 R62 L84K54-G58 PolarHBondContact O-N 2.84Å; E55-G58 PolarHBondContact O-N 2.9Å; C56-G58 VanDerWaalsContact C-N 3.26Å; C56-G58 PolarHBondContact O-N 2.83Å; G58-R62 WeakPolarHBondContact O-CB 3.4Å; G58-R62 WeakPolarHBondContact O-CG 3.34Å; G58-R62 VanDerWaalsContact O-CZ 3.31Å; G58-R62 PolarHBondContact O-N 2.89Å; G58-R62 VanDerWaalsContact O-N 3.13Å; G58-R62 PolarHBondContact O-NE 3.45Å; G58-L84 VanDerWaalsContact CA-CD2 3.46Å
59V93.1Very high95.1Very high41 Ų4125 Ų2525%0.24813%0.126CC..Hα-helixtrans-65.7-45.1179.8170.80000111.8E55 C56 G63 A259 V263E55-V59 VanDerWaalsContact O-CG2 3.31Å; E55-V59 WeakPolarHBondContact O-CG2 3.27Å; E55-V59 PolarHBondContact O-N 3.24Å; C56-V59 PolarHBondContact O-N 2.88Å; V59-G63 PolarHBondContact O-N 3.34Å; V59-G63 VanDerWaalsContact O-N 3.1Å; V59-A259 HydrophobicContact CG2-CB 4.34Å; V59-V263 HydrophobicContact CG1-CG2 3.69Å
60F94.8Very high95.2Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-72.7-39.3-178.7-77.1-85.3000112.2V38 V43 I45 C56 A57 G63 G64 A65 L67 I127 I262 V263 L266V38-F60 HydrophobicContact CB-CD1 3.86Å; V38-F60 HydrophobicContact CB-CE1 4.18Å; V38-F60 HydrophobicContact CG1-CD1 3.64Å; V38-F60 HydrophobicContact CG1-CE1 3.45Å; V38-F60 VanDerWaalsContact CG1-CE1 3.45Å; V38-F60 HydrophobicContact CG2-CD1 4.28Å; V43-F60 HydrophobicContact CB-CD1 4.46Å; V43-F60 HydrophobicContact CG1-CD1 4.04Å; V43-F60 HydrophobicContact CG1-CE1 4.15Å; V43-F60 HydrophobicContact CG1-CG 4.36Å; V43-F60 HydrophobicContact CG2-CD1 3.98Å; V43-F60 HydrophobicContact CG2-CE1 4.35Å; I45-F60 HydrophobicContact CD1-CD2 4.29Å; C56-F60 HydrophobicContact CB-CD2 4.18Å; C56-F60 HydrophobicContact CB-CE2 4.26Å; C56-F60 WeakPolarHBondContact O-CD2 3.44Å; C56-F60 PolarHBondContact O-N 3.24Å; A57-F60 PolarHBondContact O-N 3.09Å; F60-G63 CarbonylContact O-C 3.59Å; F60-G63 WeakPolarHBondContact O-CA 3.33Å; F60-G63 PolarHBondContact O-N 3.16Å; F60-G64 PolarHBondContact O-N 3.34Å; F60-A65 HydrophobicContact CB-CB 4.08Å; F60-A65 HydrophobicContact CD1-CB 4.47Å; F60-A65 VanDerWaalsContact O-CB 3.24Å; F60-A65 WeakPolarHBondContact O-CB 3.42Å; F60-A65 PolarHBondContact O-N 2.86Å; F60-A65 VanDerWaalsContact O-N 3.09Å; F60-L67 HydrophobicContact CB-CD2 3.68Å; F60-I127 HydrophobicContact CD2-CD1 4.28Å; F60-I127 HydrophobicContact CE1-CD1 4.31Å; F60-I127 HydrophobicContact CE2-CD1 3.47Å; F60-I127 VanDerWaalsContact CE2-CD1 3.47Å; F60-I127 HydrophobicContact CZ-CD1 3.49Å; F60-I127 VanDerWaalsContact CZ-CD1 3.49Å; F60-I262 HydrophobicContact CE2-CG2 3.96Å; F60-I262 HydrophobicContact CZ-CG2 3.81Å; F60-V263 HydrophobicContact CE2-CG2 4.29Å; F60-V263 HydrophobicContact CZ-CG2 4.06Å; F60-L266 HydrophobicContact CE1-CD1 3.61Å; F60-L266 HydrophobicContact CZ-CD1 3.44Å; F60-L266 VanDerWaalsContact CZ-CD1 3.44Å
61H95.1Very high95.4Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-62.5-49.5176.9-172.470.3000110.8A57 G63 G64 L67 L84 S88 T93 F94A57-H61 WeakPolarHBondContact O-CB 3.34Å; A57-H61 PolarHBondContact O-N 3.06Å; H61-G63 PolarHBondContact O-N 3.21Å; H61-G63 VanDerWaalsContact O-N 3.14Å; H61-G64 PolarHBondContact O-N 3.31Å; H61-L67 HydrophobicContact CB-CD1 3.66Å; H61-L84 HydrophobicContact CB-CD2 4.18Å; H61-L84 PolarHBondContact CD2-O 2.7Å; H61-L84 VanDerWaalsContact CD2-O 3.26Å; H61-L84 PolarHBondContact NE2-O 3.1Å; H61-S88 PolarHBondContact CD2-OG 3.2Å; H61-S88 VanDerWaalsContact CD2-OG 3.24Å; H61-T93 PolarHBondContact NE2-OG1 3.47Å; H61-T93 WeakPolarHBondContact O-CG2 3.5Å; H61-F94 PolarHBondContact CE1-O 2.85Å; H61-F94 PolarHBondContact ND1-O 2.78Å
62R92.2Very high95.5Very high129 Ų12926.1 Ų26.149%0.48712%0.118SC..Hα-helixtrans-62.8-19.5173.1-70.1-171.3-61.1-93.81.6113.7G58 G64G58-R62 WeakPolarHBondContact O-CB 3.4Å; G58-R62 WeakPolarHBondContact O-CG 3.34Å; G58-R62 VanDerWaalsContact O-CZ 3.31Å; G58-R62 PolarHBondContact O-N 2.89Å; G58-R62 VanDerWaalsContact O-N 3.13Å; G58-R62 PolarHBondContact O-NE 3.45Å; R62-G64 VanDerWaalsContact C-N 3.26Å
63G91.1Very high95.7Very high8 Ų827.1 Ų27.18%0.08213%0.126CC..THydrogen-bonded Turntrans-79.5-4171.800000114R39 V59 F60 H61R39-G63 WeakPolarHBondContact CA-O 3.38Å; V59-G63 PolarHBondContact O-N 3.34Å; V59-G63 VanDerWaalsContact O-N 3.1Å; F60-G63 CarbonylContact O-C 3.59Å; F60-G63 WeakPolarHBondContact O-CA 3.33Å; F60-G63 PolarHBondContact O-N 3.16Å; H61-G63 PolarHBondContact O-N 3.21Å; H61-G63 VanDerWaalsContact O-N 3.14Å
64G93.4Very high95.7Very high3 Ų331.6 Ų31.63%0.03114%0.143CC..THydrogen-bonded Turntrans75.725.8-177.200000113.4N40 F60 H61 R62 V92N40-G64 PolarHBondContact N-O 3.01Å; F60-G64 PolarHBondContact O-N 3.34Å; H61-G64 PolarHBondContact O-N 3.31Å; R62-G64 VanDerWaalsContact C-N 3.26Å; G64-V92 VanDerWaalsContact CA-O 3.27Å; G64-V92 WeakPolarHBondContact CA-O 3.29Å
65A95.9Very high95.8Very high0 Ų033 Ų330%015%0.151CC..  trans-74.9151.2172.500000111.2V38 V43 F60 L67V38-A65 HydrophobicContact CB-CB 4.47Å; V38-A65 WeakPolarHBondContact O-CA 3.46Å; V38-A65 WeakPolarHBondContact O-CB 3.32Å; V43-A65 HydrophobicContact CG2-CB 3.84Å; F60-A65 HydrophobicContact CB-CB 4.08Å; F60-A65 HydrophobicContact CD1-CB 4.47Å; F60-A65 VanDerWaalsContact O-CB 3.24Å; F60-A65 WeakPolarHBondContact O-CB 3.42Å; F60-A65 PolarHBondContact O-N 2.86Å; F60-A65 VanDerWaalsContact O-N 3.09Å; A65-L67 HydrophobicContact CB-CD2 4.04Å; A65-L67 PolarHBondContact O-N 3.46Å
66R97.2Very high95.9Very high70 Ų7034.9 Ų34.926%0.26416%0.158SC..EExtended strand (participates in β ladder)trans-87.5102.3168.5-69.6-179.4-178.1103.72.6108N40 K41 V42 V43 F94 Y120N40-R66 PolarHBondContact O-NH1 3.15Å; K41-R66 PolarHBondContact O-N 3.41Å; V42-R66 WeakPolarHBondContact CA-O 3.34Å; V42-R66 HydrophobicContact CG2-CB 4.13Å; V43-R66 PolarHBondContact N-O 3.21Å; R66-F94 HydrophobicContact CG-CB 4.15Å; R66-F94 HydrophobicContact CG-CD1 4.28Å; R66-F94 HydrophobicContact CG-CD2 3.56Å; R66-F94 HydrophobicContact CG-CE2 4.01Å; R66-F94 HydrophobicContact CG-CG 3.73Å; R66-F94 VanDerWaalsContact NH2-CZ 3.28Å; R66-Y120 HydrophobicContact CB-CD1 4.46Å; R66-Y120 HydrophobicContact CB-CD2 4.24Å; R66-Y120 HydrophobicContact CB-CE1 4.1Å; R66-Y120 HydrophobicContact CB-CE2 3.85Å; R66-Y120 HydrophobicContact CG-CE1 4.2Å
67L98.1Very high96.1Very high0 Ų034.9 Ų34.90%016%0.158CC..EExtended strand (participates in β ladder)trans-86.9139.1-172.5-67.7-171.5000112.1V43 I45 A57 F60 H61 A65 L69 L84 P96 K97V43-L67 HydrophobicContact CB-CD2 3.9Å; V43-L67 HydrophobicContact CG1-CD2 4.37Å; V43-L67 WeakPolarHBondContact O-CA 3.43Å; I45-L67 HydrophobicContact CD1-CD2 4.27Å; A57-L67 HydrophobicContact CB-CD1 4.29Å; A57-L67 WeakPolarHBondContact O-CD1 3.37Å; F60-L67 HydrophobicContact CB-CD2 3.68Å; H61-L67 HydrophobicContact CB-CD1 3.66Å; A65-L67 HydrophobicContact CB-CD2 4.04Å; A65-L67 PolarHBondContact O-N 3.46Å; L67-L69 HydrophobicContact CB-CD2 4.18Å; L67-L69 HydrophobicContact CB-CG 4.44Å; L67-L69 HydrophobicContact CD1-CD2 4.08Å; L67-L84 HydrophobicContact CD1-CD1 4.46Å; L67-P96 HydrophobicContact CB-CB 4.19Å; L67-K97 PolarHBondContact O-N 3.09Å
68I98.6Very high96.1Very high0 Ų039 Ų390%018%0.177CC..EExtended strand (participates in β ladder)trans-116.1110160.9-56.5169.5000106.2V42 V43 V44 I45 K97 V99 V116 C119 Y120V42-I68 HydrophobicContact CG1-CD1 3.84Å; V42-I68 HydrophobicContact CG1-CG1 4.38Å; V43-I68 PolarHBondContact O-N 3.47Å; V44-I68 WeakPolarHBondContact CA-O 3.38Å; V44-I68 HydrophobicContact CB-CB 4.4Å; V44-I68 HydrophobicContact CG2-CB 3.79Å; V44-I68 HydrophobicContact CG2-CD1 3.64Å; V44-I68 HydrophobicContact CG2-CG1 4.21Å; V44-I68 HydrophobicContact CG2-CG2 4.26Å; I45-I68 PolarHBondContact N-O 3.18Å; I68-K97 CarbonylContact C-O 3.58Å; I68-K97 WeakPolarHBondContact CA-O 3.3Å; I68-K97 HydrophobicContact CG1-CB 4.35Å; I68-V99 HydrophobicContact CG2-CB 4.36Å; I68-V99 HydrophobicContact CG2-CG2 3.64Å; I68-V116 HydrophobicContact CD1-CG1 4.46Å; I68-V116 WeakPolarHBondContact CD1-O 3.02Å; I68-V116 HydrophobicContact CG2-CG2 4.38Å; I68-C119 HydrophobicContact CD1-CB 3.45Å; I68-C119 VanDerWaalsContact CD1-CB 3.45Å; I68-C119 HydrophobicContact CG1-CB 3.91Å; I68-Y120 HydrophobicContact CD1-CD2 4.01Å; I68-Y120 HydrophobicContact CG1-CD2 3.93Å; I68-Y120 HydrophobicContact CG1-CE2 3.91Å
69L98.6Very high96.3Very high0 Ų044.3 Ų44.30%020%0.2CC..EExtended strand (participates in β ladder)trans-94.8116.4-178.4-57179.9000108.8I45 A48 A57 L67 L77 L80 L84 P96 K97 L98 V99I45-L69 HydrophobicContact CD1-CD2 4.47Å; A48-L69 HydrophobicContact CB-CB 3.94Å; A48-L69 HydrophobicContact CB-CD2 4Å; A57-L69 HydrophobicContact CB-CD2 3.8Å; L67-L69 HydrophobicContact CB-CD2 4.18Å; L67-L69 HydrophobicContact CB-CG 4.44Å; L67-L69 HydrophobicContact CD1-CD2 4.08Å; L69-L77 HydrophobicContact CB-CD2 3.93Å; L69-L80 HydrophobicContact CD1-CD2 4.15Å; L69-L80 HydrophobicContact CD1-CG 4.25Å; L69-L84 HydrophobicContact CD1-CD1 3.93Å; L69-P96 HydrophobicContact CD1-CB 3.72Å; L69-P96 HydrophobicContact CD1-CG 4.24Å; L69-P96 HydrophobicContact CG-CB 4.01Å; L69-K97 PolarHBondContact N-O 3.49Å; L69-L98 HydrophobicContact CB-CD2 4.03Å; L69-L98 HydrophobicContact CD1-CD2 4.18Å; L69-L98 HydrophobicContact CG-CD2 4.49Å; L69-V99 PolarHBondContact O-N 3.1Å
70C98.4Very high96.5Very high0 Ų042.6 Ų42.60%019%0.189CC..EExtended strand (participates in β ladder)trans-105.1137.9178.5-49.30000111.2I45 D47 A48 V99 L101I45-C70 PolarHBondContact O-N 3.14Å; D47-C70 WeakPolarHBondContact CA-O 3.22Å; D47-C70 PolarHBondContact N-O 3.34Å; A48-C70 PolarHBondContact N-O 3.24Å; C70-V99 VanDerWaalsContact CA-O 3.26Å; C70-V99 WeakPolarHBondContact CA-O 3.38Å; C70-L101 HydrophobicContact CB-CB 3.8Å; C70-L101 HydrophobicContact CB-CD2 3.75Å; C70-L101 HydrophobicContact CB-CG 4.45Å
71G96.8Very high96.7Very high1 Ų143 Ų431%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-169.5177.6-179.400000112.9V99 L100 L101G71-V99 PolarHBondContact N-O 3.14Å; G71-L100 WeakPolarHBondContact O-CA 3.49Å; G71-L101 CarbonylContact C-O 3.6Å; G71-L101 PolarHBondContact O-N 3.07Å
72K94.9Very high96.7Very high114 Ų11447.3 Ų47.350%0.49622%0.215SC..SBendtrans-93.4-11.2-172.8-55.5-175.6178.5-146.70114.9D102K72-D102 HydrophobicContact CD-CB 4.3Å; K72-D102 VanDerWaalsContact CD-OD2 3.3Å; K72-D102 WeakPolarHBondContact CD-OD2 3.46Å; K72-D102 WeakPolarHBondContact CE-OD1 3.43Å; K72-D102 WeakPolarHBondContact CE-OD2 3.31Å; K72-D102 HydrophobicContact CG-CB 4.06Å; K72-D102 IonicContact NZ-OD1 2.65Å; K72-D102 PolarHBondContact NZ-OD1 3.09Å; K72-D102 IonicContact NZ-OD2 2.9Å; K72-D102 PolarHBondContact NZ-OD2 3.38Å
73S96.6Very high97Very high28 Ų2846.4 Ų46.420%0.19622%0.217CC..  trans-131123-178.61610000108.2E75 K76 L77S73-E75 PolarHBondContact OG-OE2 2.96Å; S73-K76 PolarHBondContact OG-N 3.28Å; S73-L77 VanDerWaalsContact O-CG 3.3Å; S73-L77 WeakPolarHBondContact O-CG 3.5Å; S73-L77 PolarHBondContact O-N 3.4Å
74W97.3Very high97.2Very high95 Ų9546.6 Ų46.636%0.3622%0.216SC..Hα-helixtrans-64.9-46.5-179.3-175-93.2000110.7K76 L77 E78 L98 L100W74-K76 VanDerWaalsContact C-N 3.33Å; W74-K76 PolarHBondContact O-N 3Å; W74-L77 WeakPolarHBondContact O-CA 3.21Å; W74-L77 WeakPolarHBondContact O-CB 3.23Å; W74-L77 PolarHBondContact O-N 2.86Å; W74-E78 VanDerWaalsContact CD1-CD 3.4Å; W74-E78 PolarHBondContact NE1-OE1 2.82Å; W74-E78 PolarHBondContact O-N 3.31Å; W74-L98 HydrophobicContact CE3-CB 4.43Å; W74-L98 HydrophobicContact CH2-CB 3.94Å; W74-L98 HydrophobicContact CZ2-CD1 4.33Å; W74-L98 HydrophobicContact CZ3-CB 3.86Å; W74-L100 HydrophobicContact CB-CD2 4.16Å; W74-L100 HydrophobicContact CE3-CD1 4.42Å; W74-L100 HydrophobicContact CE3-CD2 4.26Å; W74-L100 HydrophobicContact CE3-CG 3.99Å
75E97.8Very high97.3Very high116 Ų11650.3 Ų50.354%0.54223%0.232SC..Hα-helixtrans-60.1-43.8-176.5-53.478.8-172.900111.1S73 L77 E78 E79S73-E75 PolarHBondContact OG-OE2 2.96Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.23Å; E75-E78 PolarHBondContact O-N 3.47Å; E75-E79 WeakPolarHBondContact O-CG 3.35Å; E75-E79 PolarHBondContact O-N 3.21Å
76K97.9Very high97.2Very high122 Ų12257 Ų5753%0.5327%0.268SS..Hα-helixtrans-69.7-28.5177.6-69.3-178.6-179.5177.70113.1L49 S73 W74 L80L49-K76 HydrophobicContact CD1-CB 3.62Å; L49-K76 HydrophobicContact CD1-CD 4.32Å; L49-K76 HydrophobicContact CD2-CB 3.86Å; L49-K76 VanDerWaalsContact CD2-O 3.24Å; L49-K76 WeakPolarHBondContact CD2-O 3.49Å; L49-K76 HydrophobicContact CG-CB 4.37Å; S73-K76 PolarHBondContact OG-N 3.28Å; W74-K76 VanDerWaalsContact C-N 3.33Å; W74-K76 PolarHBondContact O-N 3Å; K76-L80 WeakPolarHBondContact O-CB 3.21Å; K76-L80 PolarHBondContact O-N 2.88Å; K76-L80 VanDerWaalsContact O-N 3.12Å
77L98.2Very high96.8Very high0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-72.5-40.2174.9-76.5170.3000110.5A48 L49 L69 S73 W74 E75 L80 A81 L98 L100A48-L77 HydrophobicContact CB-CD2 4.32Å; L49-L77 HydrophobicContact CD1-CD2 4.47Å; L49-L77 HydrophobicContact CD1-CG 4.29Å; L49-L77 HydrophobicContact CD2-CD2 3.86Å; L49-L77 HydrophobicContact CD2-CG 4.18Å; L49-L77 HydrophobicContact CG-CD2 3.98Å; L49-L77 HydrophobicContact CG-CG 4.32Å; L69-L77 HydrophobicContact CB-CD2 3.93Å; S73-L77 VanDerWaalsContact O-CG 3.3Å; S73-L77 WeakPolarHBondContact O-CG 3.5Å; S73-L77 PolarHBondContact O-N 3.4Å; W74-L77 WeakPolarHBondContact O-CA 3.21Å; W74-L77 WeakPolarHBondContact O-CB 3.23Å; W74-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.23Å; L77-L80 PolarHBondContact O-N 2.89Å; L77-A81 WeakPolarHBondContact O-CB 3.39Å; L77-A81 PolarHBondContact O-N 2.93Å; L77-L98 HydrophobicContact CB-CD1 3.97Å; L77-L98 HydrophobicContact CB-CD2 3.97Å; L77-L98 HydrophobicContact CB-CG 4.36Å; L77-L100 HydrophobicContact CD1-CD2 4.48Å
78E98.1Very high96.4Very high87 Ų8758.2 Ų58.241%0.40729%0.292SS..Hα-helixtrans-60.6-49.7171.8-71.5-178.9147.300110.9W74 E75 L80 A81 D82 L98W74-E78 VanDerWaalsContact CD1-CD 3.4Å; W74-E78 PolarHBondContact NE1-OE1 2.82Å; W74-E78 PolarHBondContact O-N 3.31Å; E75-E78 PolarHBondContact O-N 3.47Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 2.62Å; E78-A81 WeakPolarHBondContact O-CB 3.49Å; E78-A81 PolarHBondContact O-N 2.79Å; E78-D82 PolarHBondContact O-N 2.97Å; E78-L98 HydrophobicContact CB-CD1 4.35Å; E78-L98 HydrophobicContact CG-CD1 3.59Å
79E97.9Very high95.9Very high116 Ų11662.2 Ų62.254%0.54231%0.313SS..Hα-helixtrans-53.6-45.2175.1-73.8172.9-177.700111.9E75 D82 E83E75-E79 WeakPolarHBondContact O-CG 3.35Å; E75-E79 PolarHBondContact O-N 3.21Å; E79-D82 PolarHBondContact O-N 3.07Å; E79-E83 WeakPolarHBondContact O-CB 3.4Å; E79-E83 VanDerWaalsContact O-CG 3.3Å; E79-E83 WeakPolarHBondContact O-CG 3.39Å; E79-E83 PolarHBondContact O-N 2.99Å
80L97.9Very high95.4Very high6 Ų667.4 Ų67.43%0.03135%0.347CS..Hα-helixtrans-66.9-38.6177.6178.261.4000112.2A48 L49 K54 L69 K76 L77 E78 E83 L84A48-L80 HydrophobicContact CB-CD2 4.27Å; L49-L80 HydrophobicContact CD2-CB 4.33Å; L49-L80 HydrophobicContact CD2-CD2 4.12Å; K54-L80 HydrophobicContact CB-CD1 4.48Å; K54-L80 HydrophobicContact CD-CD1 4.43Å; K54-L80 HydrophobicContact CG-CD1 4.05Å; K54-L80 HydrophobicContact CG-CD2 4.22Å; L69-L80 HydrophobicContact CD1-CD2 4.15Å; L69-L80 HydrophobicContact CD1-CG 4.25Å; K76-L80 WeakPolarHBondContact O-CB 3.21Å; K76-L80 PolarHBondContact O-N 2.88Å; K76-L80 VanDerWaalsContact O-N 3.12Å; L77-L80 PolarHBondContact O-N 2.89Å; E78-L80 VanDerWaalsContact C-N 3.28Å; E78-L80 PolarHBondContact O-N 2.62Å; L80-E83 PolarHBondContact O-N 2.6Å; L80-L84 HydrophobicContact CD1-CD1 4.27Å; L80-L84 HydrophobicContact CD1-CG 4.26Å; L80-L84 HydrophobicContact CG-CD1 4.09Å; L80-L84 WeakPolarHBondContact O-CD1 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.87Å
81A97.8Very high94.9Very high7 Ų772.9 Ų72.96%0.05838%0.38CS..Hα-helixtrans-63.6-46.4176.700000111L77 E78 E83 L84 E85 P96 L98L77-A81 WeakPolarHBondContact O-CB 3.39Å; L77-A81 PolarHBondContact O-N 2.93Å; E78-A81 WeakPolarHBondContact O-CB 3.49Å; E78-A81 PolarHBondContact O-N 2.79Å; A81-E83 VanDerWaalsContact C-N 3.35Å; A81-E83 PolarHBondContact O-N 2.95Å; A81-L84 PolarHBondContact O-N 3.34Å; A81-L84 VanDerWaalsContact O-N 3.14Å; A81-E85 WeakPolarHBondContact O-CG 3.35Å; A81-E85 PolarHBondContact O-N 2.93Å; A81-P96 HydrophobicContact CB-CB 4.25Å; A81-P96 HydrophobicContact CB-CG 4.14Å; A81-L98 HydrophobicContact CB-CD2 4.14Å
82D96.9Very high94.4Very high91 Ų9176 Ų7649%0.48740%0.399SS..Hα-helixtrans-60-43.7175.7-71.7-15.7000111.4E78 E79 L84 E85 N86E78-D82 PolarHBondContact O-N 2.97Å; E79-D82 PolarHBondContact O-N 3.07Å; D82-L84 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3.07Å; D82-E85 PolarHBondContact O-N 3.39Å; D82-N86 VanDerWaalsContact O-CB 3.28Å; D82-N86 WeakPolarHBondContact O-CB 3.24Å; D82-N86 VanDerWaalsContact O-CG 3.25Å; D82-N86 PolarHBondContact O-N 3.11Å; D82-N86 PolarHBondContact O-ND2 3.1Å
83E96.8Very high94.3Very high111 Ų11171.3 Ų71.352%0.51938%0.38SS..Hα-helixtrans-57.9-42.9174.9-78.7176.4-178.400111.9E79 L80 A81 A87E79-E83 WeakPolarHBondContact O-CB 3.4Å; E79-E83 VanDerWaalsContact O-CG 3.3Å; E79-E83 WeakPolarHBondContact O-CG 3.39Å; E79-E83 PolarHBondContact O-N 2.99Å; L80-E83 PolarHBondContact O-N 2.6Å; A81-E83 VanDerWaalsContact C-N 3.35Å; A81-E83 PolarHBondContact O-N 2.95Å; E83-A87 WeakPolarHBondContact O-CB 3.37Å; E83-A87 PolarHBondContact O-N 2.67Å; E83-A87 VanDerWaalsContact O-N 3.16Å
84L96.1Very high94.2Very high12 Ų1272.7 Ų72.76%0.06338%0.383CS..Hα-helixtrans-69.3-44.3-178.6-70.7169.1000112.3A57 G58 H61 L67 L69 L80 A81 D82 A87 S88 P96A57-L84 HydrophobicContact CB-CD1 3.87Å; A57-L84 HydrophobicContact CB-CD2 4.46Å; G58-L84 VanDerWaalsContact CA-CD2 3.46Å; H61-L84 HydrophobicContact CB-CD2 4.18Å; H61-L84 PolarHBondContact CD2-O 2.7Å; H61-L84 VanDerWaalsContact CD2-O 3.26Å; H61-L84 PolarHBondContact NE2-O 3.1Å; L67-L84 HydrophobicContact CD1-CD1 4.46Å; L69-L84 HydrophobicContact CD1-CD1 3.93Å; L80-L84 HydrophobicContact CD1-CD1 4.27Å; L80-L84 HydrophobicContact CD1-CG 4.26Å; L80-L84 HydrophobicContact CG-CD1 4.09Å; L80-L84 WeakPolarHBondContact O-CD1 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.87Å; A81-L84 PolarHBondContact O-N 3.34Å; A81-L84 VanDerWaalsContact O-N 3.14Å; D82-L84 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3.07Å; L84-A87 PolarHBondContact O-N 3.45Å; L84-S88 WeakPolarHBondContact O-CB 3.17Å; L84-S88 PolarHBondContact O-N 3.28Å; L84-S88 PolarHBondContact O-OG 2.97Å; L84-P96 HydrophobicContact CD1-CG 4.28Å
85E94.7Very high94.1Very high80 Ų8072.1 Ų72.137%0.37439%0.391SS..Hα-helixtrans-64.7-45.8178.9-72.4-175.7-167.400111.2A81 D82 A87 S88 P95 P96A81-E85 WeakPolarHBondContact O-CG 3.35Å; A81-E85 PolarHBondContact O-N 2.93Å; D82-E85 PolarHBondContact O-N 3.39Å; E85-A87 VanDerWaalsContact C-N 3.27Å; E85-A87 PolarHBondContact O-N 2.89Å; E85-S88 PolarHBondContact O-N 2.83Å; E85-P95 WeakPolarHBondContact OE1-CA 3.3Å; E85-P95 WeakPolarHBondContact OE1-CB 3.19Å; E85-P96 VanDerWaalsContact OE1-CD 3.22Å; E85-P96 WeakPolarHBondContact OE1-CD 3.43Å
86N93.8Very high94.1Very high141 Ų14167.2 Ų67.275%0.75437%0.37SS*.Hα-helixtrans-66.9-28178.6-73.1-48.6000113.1D82D82-N86 VanDerWaalsContact O-CB 3.28Å; D82-N86 WeakPolarHBondContact O-CB 3.24Å; D82-N86 VanDerWaalsContact O-CG 3.25Å; D82-N86 PolarHBondContact O-N 3.11Å; D82-N86 PolarHBondContact O-ND2 3.1Å
87A90.6Very high94.1Very high75 Ų7565.3 Ų65.362%0.6236%0.361SS*.THydrogen-bonded Turntrans-85.6-4.2-17900000114.2E83 L84 E85E83-A87 WeakPolarHBondContact O-CB 3.37Å; E83-A87 PolarHBondContact O-N 2.67Å; E83-A87 VanDerWaalsContact O-N 3.16Å; L84-A87 PolarHBondContact O-N 3.45Å; E85-A87 VanDerWaalsContact C-N 3.27Å; E85-A87 PolarHBondContact O-N 2.89Å
88S89.7Confident94.1Very high20 Ų2066.4 Ų66.414%0.1437%0.367CS..SBendtrans-132.2158.7-169.5-53.60000113.2H61 L84 E85 P90H61-S88 PolarHBondContact CD2-OG 3.2Å; H61-S88 VanDerWaalsContact CD2-OG 3.24Å; L84-S88 WeakPolarHBondContact O-CB 3.17Å; L84-S88 PolarHBondContact O-N 3.28Å; L84-S88 PolarHBondContact O-OG 2.97Å; E85-S88 PolarHBondContact O-N 2.83Å; S88-P90 WeakPolarHBondContact O-CD 3.43Å
89D87.9Confident94.1Very high84 Ų8462.2 Ų62.245%0.44935%0.347SS..  trans-78.7116.6178.1175.4-5.1000110.5T91 V92 T93D89-T91 PolarHBondContact O-N 3.15Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CB 3.41Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.45Å; D89-T91 PolarHBondContact OD1-N 3.46Å; D89-T91 PolarHBondContact OD1-OG1 3.03Å; D89-T91 PolarHBondContact OD2-OG1 3.31Å; D89-T91 VanDerWaalsContact OD2-OG1 3.06Å; D89-V92 HydrophobicContact CB-CG2 3.85Å; D89-V92 VanDerWaalsContact O-CG2 3.29Å; D89-V92 WeakPolarHBondContact O-CG2 3.41Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-V92 VanDerWaalsContact O-N 3.09Å; D89-T93 PolarHBondContact O-N 3.09Å; D89-T93 PolarHBondContact O-OG1 2.97Å
90P87.3Confident94.1Very high109 Ų10960.7 Ų60.771%0.70834%0.342SS*.THydrogen-bonded Turntrans-67-12.2-175.828.9-36.5000113.5S88 V92S88-P90 WeakPolarHBondContact O-CD 3.43Å; P90-V92 VanDerWaalsContact C-N 3.28Å
91T87.4Confident94.1Very high115 Ų11561 Ų6171%0.70634%0.344SS*.THydrogen-bonded Turntrans-76.2-17.6175.468.80000113D89D89-T91 PolarHBondContact O-N 3.15Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CB 3.41Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.45Å; D89-T91 PolarHBondContact OD1-N 3.46Å; D89-T91 PolarHBondContact OD1-OG1 3.03Å; D89-T91 PolarHBondContact OD2-OG1 3.31Å; D89-T91 VanDerWaalsContact OD2-OG1 3.06Å
92V86.9Confident94Very high66 Ų6662.9 Ų62.940%0.435%0.353SS..THydrogen-bonded Turntrans-123.6-4.8-176-62.20000113.8G64 D89 P90G64-V92 VanDerWaalsContact CA-O 3.27Å; G64-V92 WeakPolarHBondContact CA-O 3.29Å; D89-V92 HydrophobicContact CB-CG2 3.85Å; D89-V92 VanDerWaalsContact O-CG2 3.29Å; D89-V92 WeakPolarHBondContact O-CG2 3.41Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-V92 VanDerWaalsContact O-N 3.09Å; P90-V92 VanDerWaalsContact C-N 3.28Å
93T92.8Very high94Very high16 Ų1658.7 Ų58.710%0.09833%0.331CS..  trans-118.5170.6177.667.20000112.2H61 D89H61-T93 PolarHBondContact NE2-OG1 3.47Å; H61-T93 WeakPolarHBondContact O-CG2 3.5Å; D89-T93 PolarHBondContact O-N 3.09Å; D89-T93 PolarHBondContact O-OG1 2.97Å
94F94.4Very high93.9Very high58 Ų5854.7 Ų54.725%0.25432%0.319SS..  trans-125.5143.7177.9-60.7-86.3000109.4N40 H61 R66N40-F94 VanDerWaalsContact OD1-CE2 3.28Å; N40-F94 WeakPolarHBondContact OD1-CE2 3.31Å; N40-F94 VanDerWaalsContact OD1-CZ 3.27Å; N40-F94 WeakPolarHBondContact OD1-CZ 2.83Å; H61-F94 PolarHBondContact CE1-O 2.85Å; H61-F94 PolarHBondContact ND1-O 2.78Å; R66-F94 HydrophobicContact CG-CB 4.15Å; R66-F94 HydrophobicContact CG-CD1 4.28Å; R66-F94 HydrophobicContact CG-CD2 3.56Å; R66-F94 HydrophobicContact CG-CE2 4.01Å; R66-F94 HydrophobicContact CG-CG 3.73Å; R66-F94 VanDerWaalsContact NH2-CZ 3.28Å
95P95.2Very high93.9Very high82 Ų8257.5 Ų57.553%0.53233%0.334SS..PPolyproline II helixtrans-58.8128.6175.124.9-33.8000109.7E85 Y120E85-P95 WeakPolarHBondContact OE1-CA 3.3Å; E85-P95 WeakPolarHBondContact OE1-CB 3.19Å; P95-Y120 PolarHBondContact O-OH 2.84Å
96P97.3Very high93.9Very high14 Ų1456.3 Ų56.39%0.09133%0.33CS..PPolyproline II helixtrans-61.5143177.2-21.734000111.6L67 L69 A81 L84 E85L67-P96 HydrophobicContact CB-CB 4.19Å; L69-P96 HydrophobicContact CD1-CB 3.72Å; L69-P96 HydrophobicContact CD1-CG 4.24Å; L69-P96 HydrophobicContact CG-CB 4.01Å; A81-P96 HydrophobicContact CB-CB 4.25Å; A81-P96 HydrophobicContact CB-CG 4.14Å; L84-P96 HydrophobicContact CD1-CG 4.28Å; E85-P96 VanDerWaalsContact OE1-CD 3.22Å; E85-P96 WeakPolarHBondContact OE1-CD 3.43Å
97K98.1Very high94Very high82 Ų8257 Ų5736%0.35733%0.333SS..EExtended strand (participates in β ladder)trans-90.9147.5164.4-67.5-167.5172.3-148.90109.8L67 I68 L69 C119 Y120L67-K97 PolarHBondContact O-N 3.09Å; I68-K97 CarbonylContact C-O 3.58Å; I68-K97 WeakPolarHBondContact CA-O 3.3Å; I68-K97 HydrophobicContact CG1-CB 4.35Å; L69-K97 PolarHBondContact N-O 3.49Å; K97-C119 HydrophobicContact CB-CB 4.5Å; K97-C119 HydrophobicContact CD-CB 3.59Å; K97-C119 WeakPolarHBondContact CD-O 3.39Å; K97-C119 WeakPolarHBondContact CE-O 3.34Å; K97-C119 PolarHBondContact NZ-O 2.87Å; K97-Y120 HydrophobicContact CB-CE2 4.34Å; K97-Y120 HydrophobicContact CD-CD2 4.2Å; K97-Y120 HydrophobicContact CD-CE1 4.31Å; K97-Y120 HydrophobicContact CD-CE2 3.76Å; K97-Y120 HydrophobicContact CG-CE2 3.89Å
98L98.4Very high94.3Very high22 Ų2255 Ų5512%0.11531%0.314CS..EExtended strand (participates in β ladder)trans-113.5140.2-176.9-51.5-175.8000109L69 W74 L77 E78 A81L69-L98 HydrophobicContact CB-CD2 4.03Å; L69-L98 HydrophobicContact CD1-CD2 4.18Å; L69-L98 HydrophobicContact CG-CD2 4.49Å; W74-L98 HydrophobicContact CE3-CB 4.43Å; W74-L98 HydrophobicContact CH2-CB 3.94Å; W74-L98 HydrophobicContact CZ2-CD1 4.33Å; W74-L98 HydrophobicContact CZ3-CB 3.86Å; L77-L98 HydrophobicContact CB-CD1 3.97Å; L77-L98 HydrophobicContact CB-CD2 3.97Å; L77-L98 HydrophobicContact CB-CG 4.36Å; E78-L98 HydrophobicContact CB-CD1 4.35Å; E78-L98 HydrophobicContact CG-CD1 3.59Å; A81-L98 HydrophobicContact CB-CD2 4.14Å
99V98.3Very high94.6Very high0 Ų054.1 Ų54.10%031%0.308CS..EExtended strand (participates in β ladder)trans-137.9131174.8173.60000108.7I68 L69 C70 G71 L101 A112 E115 V116I68-V99 HydrophobicContact CG2-CB 4.36Å; I68-V99 HydrophobicContact CG2-CG2 3.64Å; L69-V99 PolarHBondContact O-N 3.1Å; C70-V99 VanDerWaalsContact CA-O 3.26Å; C70-V99 WeakPolarHBondContact CA-O 3.38Å; G71-V99 PolarHBondContact N-O 3.14Å; V99-L101 PolarHBondContact O-N 3.13Å; V99-A112 HydrophobicContact CG1-CB 4.28Å; V99-E115 HydrophobicContact CG1-CB 4.34Å; V99-E115 HydrophobicContact CG1-CG 4.46Å; V99-E115 HydrophobicContact CG2-CB 4.38Å; V99-E115 HydrophobicContact CG2-CG 3.92Å; V99-V116 HydrophobicContact CB-CG2 4.48Å; V99-V116 HydrophobicContact CG1-CG2 4.16Å; V99-V116 HydrophobicContact CG2-CG2 4.19Å
100L97.9Very high95Very high83 Ų8353.9 Ų53.944%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-74.2127.4171.6-70.8177.2000109.8G71 W74 L77G71-L100 WeakPolarHBondContact O-CA 3.49Å; W74-L100 HydrophobicContact CB-CD2 4.16Å; W74-L100 HydrophobicContact CE3-CD1 4.42Å; W74-L100 HydrophobicContact CE3-CD2 4.26Å; W74-L100 HydrophobicContact CE3-CG 3.99Å; L77-L100 HydrophobicContact CD1-CD2 4.48Å
101L97.6Very high95.5Very high12 Ų1255.5 Ų55.56%0.06332%0.316CS..  trans-148.4115.3-179.4-176.966.1000110.4T46 C70 G71 V99 F103 M109 A112 L160T46-L101 HydrophobicContact CG2-CD2 4Å; C70-L101 HydrophobicContact CB-CB 3.8Å; C70-L101 HydrophobicContact CB-CD2 3.75Å; C70-L101 HydrophobicContact CB-CG 4.45Å; G71-L101 CarbonylContact C-O 3.6Å; G71-L101 PolarHBondContact O-N 3.07Å; V99-L101 PolarHBondContact O-N 3.13Å; L101-F103 HydrophobicContact CD1-CD1 4.08Å; L101-F103 HydrophobicContact CD1-CE1 3.83Å; L101-F103 HydrophobicContact CD2-CD1 4.46Å; L101-F103 HydrophobicContact CD2-CE1 3.72Å; L101-F103 HydrophobicContact CD2-CZ 3.94Å; L101-F103 HydrophobicContact CG-CD1 4.21Å; L101-F103 HydrophobicContact CG-CE1 3.92Å; L101-M109 HydrophobicContact CD1-CE 4.23Å; L101-M109 HydrophobicContact CD1-SD 3.66Å; L101-A112 HydrophobicContact CD1-CB 3.75Å; L101-L160 HydrophobicContact CD2-CD2 4.13Å
102D96.1Very high95.9Very high47 Ų4750.3 Ų50.325%0.25128%0.284SS..  trans-123.6112.8168.2-168.4-13.8000110.4K72 G104 D105K72-D102 HydrophobicContact CD-CB 4.3Å; K72-D102 VanDerWaalsContact CD-OD2 3.3Å; K72-D102 WeakPolarHBondContact CD-OD2 3.46Å; K72-D102 WeakPolarHBondContact CE-OD1 3.43Å; K72-D102 WeakPolarHBondContact CE-OD2 3.31Å; K72-D102 HydrophobicContact CG-CB 4.06Å; K72-D102 IonicContact NZ-OD1 2.65Å; K72-D102 PolarHBondContact NZ-OD1 3.09Å; K72-D102 IonicContact NZ-OD2 2.9Å; K72-D102 PolarHBondContact NZ-OD2 3.38Å; D102-G104 PolarHBondContact O-N 2.99Å; D102-G104 WeakPolarHBondContact OD1-CA 3.45Å; D102-G104 PolarHBondContact OD1-N 3.46Å; D102-D105 HydrophobicContact CB-CB 4.29Å; D102-D105 CarbonylContact O-C 3.47Å; D102-D105 PolarHBondContact O-N 2.84Å
103F96.5Very high96.4Very high3 Ų348 Ų481%0.01327%0.271CS..THydrogen-bonded Turntrans-69.4-6.5175-65.9-30.8000114.4T46 L101 M109 D151 N152 P157 L160T46-F103 HydrophobicContact CG2-CE2 4.49Å; T46-F103 HydrophobicContact CG2-CZ 4.03Å; L101-F103 HydrophobicContact CD1-CD1 4.08Å; L101-F103 HydrophobicContact CD1-CE1 3.83Å; L101-F103 HydrophobicContact CD2-CD1 4.46Å; L101-F103 HydrophobicContact CD2-CE1 3.72Å; L101-F103 HydrophobicContact CD2-CZ 3.94Å; L101-F103 HydrophobicContact CG-CD1 4.21Å; L101-F103 HydrophobicContact CG-CE1 3.92Å; F103-M109 HydrophobicContact CD1-CE 3.92Å; F103-M109 HydrophobicContact CD1-SD 3.6Å; F103-M109 VanDerWaalsContact CD1-SD 3.6Å; F103-M109 HydrophobicContact CE1-CE 3.76Å; F103-M109 HydrophobicContact CE1-SD 3.98Å; F103-D151 CarbonylContact O-C 3.57Å; F103-D151 VanDerWaalsContact O-C 3.29Å; F103-D151 WeakPolarHBondContact O-CB 3.3Å; F103-N152 HydrophobicContact CB-CB 4.49Å; F103-N152 WeakPolarHBondContact CD2-O 3.39Å; F103-P157 HydrophobicContact CD2-CG 3.99Å; F103-P157 HydrophobicContact CE2-CG 3.71Å; F103-P157 HydrophobicContact CZ-CG 4.3Å; F103-L160 HydrophobicContact CE1-CB 4.3Å; F103-L160 HydrophobicContact CE1-CD2 4.24Å; F103-L160 HydrophobicContact CZ-CD2 4Å
104G94.4Very high96.6Very high27 Ų2749.4 Ų49.428%0.27828%0.284SS..THydrogen-bonded Turntrans-82.8-14.1166.500000113.8D102 N152D102-G104 PolarHBondContact O-N 2.99Å; D102-G104 WeakPolarHBondContact OD1-CA 3.45Å; D102-G104 PolarHBondContact OD1-N 3.46Å; G104-N152 VanDerWaalsContact CA-ND2 3.33Å; G104-N152 WeakPolarHBondContact CA-ND2 3.32Å; G104-N152 PolarHBondContact N-ND2 3.26Å
105D95.9Very high96.7Very high72 Ų7250 Ų5039%0.38529%0.287SS..  trans-11086.9174.9176.622.7000109.2D102 D107 S108D102-D105 HydrophobicContact CB-CB 4.29Å; D102-D105 CarbonylContact O-C 3.47Å; D102-D105 PolarHBondContact O-N 2.84Å; D105-D107 PolarHBondContact O-N 3.12Å; D105-D107 PolarHBondContact OD1-N 2.96Å; D105-S108 PolarHBondContact O-OG 2.73Å; D105-S108 VanDerWaalsContact O-OG 3.12Å; D105-S108 WeakPolarHBondContact OD2-CB 3.33Å; D105-S108 PolarHBondContact OD2-OG 3.08Å
106M95.8Very high96.8Very high55 Ų5546.2 Ų46.227%0.27126%0.263SS..SBendtrans-70.5-18.5-175.1-69.4-58-55.800113.3M109 D151 F155 T159M106-M109 HydrophobicContact CE-CG 3.97Å; M106-M109 WeakPolarHBondContact O-CB 3.44Å; M106-M109 WeakPolarHBondContact O-CG 3.39Å; M106-M109 HydrophobicContact SD-CG 4.1Å; M106-D151 HydrophobicContact CG-CB 4.14Å; M106-D151 HydrophobicContact SD-CB 4.28Å; M106-F155 HydrophobicContact CE-CB 4.05Å; M106-F155 HydrophobicContact SD-CB 4.34Å; M106-T159 HydrophobicContact CE-CG2 4.46Å
107D96.5Very high96.8Very high155 Ų15547.4 Ų47.483%0.82927%0.268SS*.SBendtrans-75-31.8-178.1-67.9-27.9000111.7D105 M109D105-D107 PolarHBondContact O-N 3.12Å; D105-D107 PolarHBondContact OD1-N 2.96Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 2.88Å
108S95.2Very high96.7Very high32 Ų3249.7 Ų49.722%0.22428%0.284CS..THydrogen-bonded Turntrans-81-6.217758.80000114.4D105 A110 E111 A112D105-S108 PolarHBondContact O-OG 2.73Å; D105-S108 VanDerWaalsContact O-OG 3.12Å; D105-S108 WeakPolarHBondContact OD2-CB 3.33Å; D105-S108 PolarHBondContact OD2-OG 3.08Å; S108-A110 VanDerWaalsContact C-N 3.32Å; S108-A110 PolarHBondContact O-N 2.99Å; S108-E111 PolarHBondContact O-N 3.42Å; S108-A112 PolarHBondContact O-N 3.25Å
109M96.7Very high96.5Very high2 Ų249.4 Ų49.41%0.0128%0.284CS..Hα-helixtrans-61.1-36-175-74.8-64.2-56.100114.2L101 F103 M106 D107 V113 G156 T159 L160L101-M109 HydrophobicContact CD1-CE 4.23Å; L101-M109 HydrophobicContact CD1-SD 3.66Å; F103-M109 HydrophobicContact CD1-CE 3.92Å; F103-M109 HydrophobicContact CD1-SD 3.6Å; F103-M109 VanDerWaalsContact CD1-SD 3.6Å; F103-M109 HydrophobicContact CE1-CE 3.76Å; F103-M109 HydrophobicContact CE1-SD 3.98Å; M106-M109 HydrophobicContact CE-CG 3.97Å; M106-M109 WeakPolarHBondContact O-CB 3.44Å; M106-M109 WeakPolarHBondContact O-CG 3.39Å; M106-M109 HydrophobicContact SD-CG 4.1Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 2.88Å; M109-V113 WeakPolarHBondContact O-CG2 3.41Å; M109-V113 PolarHBondContact O-N 3.35Å; M109-G156 WeakPolarHBondContact CE-O 3.4Å; M109-T159 HydrophobicContact CB-CG2 3.95Å; M109-T159 HydrophobicContact CE-CG2 3.98Å; M109-T159 HydrophobicContact CG-CG2 4.47Å; M109-L160 HydrophobicContact CE-CB 3.97Å
110A96.1Very high96.3Very high79 Ų7952.4 Ų52.465%0.65330%0.295SS*.Hα-helixtrans-66.4-40179.800000111.7S108 A114S108-A110 VanDerWaalsContact C-N 3.32Å; S108-A110 PolarHBondContact O-N 2.99Å; A110-A114 PolarHBondContact O-N 2.84Å
111E97.1Very high95.8Very high144 Ų14451.2 Ų51.267%0.67330%0.304SS*.Hα-helixtrans-67-47.7176.8-175.5173-170.700110.9S108 V113 A114 E115S108-E111 PolarHBondContact O-N 3.42Å; E111-V113 VanDerWaalsContact C-N 3.3Å; E111-V113 PolarHBondContact O-N 3.06Å; E111-A114 WeakPolarHBondContact O-CB 3.37Å; E111-A114 PolarHBondContact O-N 3.17Å; E111-A114 VanDerWaalsContact O-N 3.08Å; E111-E115 PolarHBondContact O-N 3.02Å
112A97.1Very high95.3Very high5 Ų552.1 Ų52.14%0.04131%0.31CS..Hα-helixtrans-61.3-36.9178.500000112.8V99 L101 S108 V116V99-A112 HydrophobicContact CG1-CB 4.28Å; L101-A112 HydrophobicContact CD1-CB 3.75Å; S108-A112 PolarHBondContact O-N 3.25Å; A112-V116 WeakPolarHBondContact O-CB 3.47Å; A112-V116 VanDerWaalsContact O-CG2 3.26Å; A112-V116 WeakPolarHBondContact O-CG2 3.32Å; A112-V116 PolarHBondContact O-N 2.9Å
113V97.2Very high95.3Very high18 Ų1849.9 Ų49.911%0.10930%0.299CS..Hα-helixtrans-62.3-45.3173.9166.60000111.1M109 E111 V116 L117 L160M109-V113 WeakPolarHBondContact O-CG2 3.41Å; M109-V113 PolarHBondContact O-N 3.35Å; E111-V113 VanDerWaalsContact C-N 3.3Å; E111-V113 PolarHBondContact O-N 3.06Å; V113-V116 PolarHBondContact O-N 2.77Å; V113-L117 HydrophobicContact CG1-CD1 4.15Å; V113-L117 WeakPolarHBondContact O-CG 3.48Å; V113-L117 PolarHBondContact O-N 2.63Å; V113-L160 HydrophobicContact CG2-CD1 3.81Å
114A96.8Very high95.3Very high45 Ų4550.7 Ų50.737%0.37230%0.303SS..Hα-helixtrans-62.6-47.2178.900000110.8A110 E111 V116 L117 D118A110-A114 PolarHBondContact O-N 2.84Å; E111-A114 WeakPolarHBondContact O-CB 3.37Å; E111-A114 PolarHBondContact O-N 3.17Å; E111-A114 VanDerWaalsContact O-N 3.08Å; A114-V116 VanDerWaalsContact C-N 3.35Å; A114-V116 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 3Å; A114-L117 VanDerWaalsContact O-N 3.08Å; A114-D118 PolarHBondContact O-N 2.85Å
115E97.3Very high95.5Very high71 Ų7149.9 Ų49.933%0.33229%0.292SS..Hα-helixtrans-60.4-41.9179.3-164.3-178.1171.700112.4V99 E111 L117 D118 C119V99-E115 HydrophobicContact CG1-CB 4.34Å; V99-E115 HydrophobicContact CG1-CG 4.46Å; V99-E115 HydrophobicContact CG2-CB 4.38Å; V99-E115 HydrophobicContact CG2-CG 3.92Å; E111-E115 PolarHBondContact O-N 3.02Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.09Å; E115-D118 PolarHBondContact O-N 2.8Å; E115-C119 PolarHBondContact O-N 2.85Å; E115-C119 PolarHBondContact O-SG 3.45Å
116V97.3Very high95.6Very high2 Ų246.5 Ų46.51%0.01227%0.274CS..Hα-helixtrans-59.1-42.1174.3164.10000111.8V44 I68 V99 A112 V113 A114 L123 V164V44-V116 HydrophobicContact CG1-CG2 4.5Å; V44-V116 HydrophobicContact CG2-CG1 3.58Å; I68-V116 HydrophobicContact CD1-CG1 4.46Å; I68-V116 WeakPolarHBondContact CD1-O 3.02Å; I68-V116 HydrophobicContact CG2-CG2 4.38Å; V99-V116 HydrophobicContact CB-CG2 4.48Å; V99-V116 HydrophobicContact CG1-CG2 4.16Å; V99-V116 HydrophobicContact CG2-CG2 4.19Å; A112-V116 WeakPolarHBondContact O-CB 3.47Å; A112-V116 VanDerWaalsContact O-CG2 3.26Å; A112-V116 WeakPolarHBondContact O-CG2 3.32Å; A112-V116 PolarHBondContact O-N 2.9Å; V113-V116 PolarHBondContact O-N 2.77Å; A114-V116 VanDerWaalsContact C-N 3.35Å; A114-V116 PolarHBondContact O-N 3.38Å; V116-L123 HydrophobicContact CG1-CD2 4.31Å; V116-V164 HydrophobicContact CG1-CG1 4.44Å
117L96.1Very high95.7Very high39 Ų3943.9 Ų43.920%0.20426%0.261CS..Hα-helixtrans-72.1-36.4-179.5-70171.4000111.8V113 A114 E115 G121 V164V113-L117 HydrophobicContact CG1-CD1 4.15Å; V113-L117 WeakPolarHBondContact O-CG 3.48Å; V113-L117 PolarHBondContact O-N 2.63Å; A114-L117 PolarHBondContact O-N 3Å; A114-L117 VanDerWaalsContact O-N 3.08Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.09Å; L117-G121 WeakPolarHBondContact O-CA 3.32Å; L117-G121 PolarHBondContact O-N 2.85Å; L117-G121 VanDerWaalsContact O-N 3.1Å; L117-V164 HydrophobicContact CD2-CB 4.37Å; L117-V164 HydrophobicContact CD2-CG1 4.26Å
118D96.3Very high95.8Very high131 Ų13136.6 Ų36.670%0.70122%0.222SC*.Hα-helixtrans-74.7-26.3-178.6-72.7-16.3000113.1A114 E115 Y120A114-D118 PolarHBondContact O-N 2.85Å; E115-D118 PolarHBondContact O-N 2.8Å; D118-Y120 PolarHBondContact O-N 2.88Å
119C94.8Very high95.9Very high15 Ų1535.7 Ų35.710%0.10122%0.215CC..Hα-helixtrans-48.1-54.1-179.5-87.30000113.6I68 K97 E115I68-C119 HydrophobicContact CD1-CB 3.45Å; I68-C119 VanDerWaalsContact CD1-CB 3.45Å; I68-C119 HydrophobicContact CG1-CB 3.91Å; K97-C119 HydrophobicContact CB-CB 4.5Å; K97-C119 HydrophobicContact CD-CB 3.59Å; K97-C119 WeakPolarHBondContact CD-O 3.39Å; K97-C119 WeakPolarHBondContact CE-O 3.34Å; K97-C119 PolarHBondContact NZ-O 2.87Å; E115-C119 PolarHBondContact O-N 2.85Å; E115-C119 PolarHBondContact O-SG 3.45Å
120Y93.2Very high95.6Very high63 Ų6336.3 Ų36.325%0.24722%0.219CC..Hα-helixtrans-127.77.8178.9-66.8-76.2000112.7V42 R66 I68 P95 K97 D118 C122V42-Y120 HydrophobicContact CG1-CD2 3.66Å; V42-Y120 HydrophobicContact CG1-CG 4.23Å; V42-Y120 HydrophobicContact CG2-CD2 4.2Å; V42-Y120 HydrophobicContact CG2-CG 4.02Å; R66-Y120 HydrophobicContact CB-CD1 4.46Å; R66-Y120 HydrophobicContact CB-CD2 4.24Å; R66-Y120 HydrophobicContact CB-CE1 4.1Å; R66-Y120 HydrophobicContact CB-CE2 3.85Å; R66-Y120 HydrophobicContact CG-CE1 4.2Å; I68-Y120 HydrophobicContact CD1-CD2 4.01Å; I68-Y120 HydrophobicContact CG1-CD2 3.93Å; I68-Y120 HydrophobicContact CG1-CE2 3.91Å; P95-Y120 PolarHBondContact O-OH 2.84Å; K97-Y120 HydrophobicContact CB-CE2 4.34Å; K97-Y120 HydrophobicContact CD-CD2 4.2Å; K97-Y120 HydrophobicContact CD-CE1 4.31Å; K97-Y120 HydrophobicContact CD-CE2 3.76Å; K97-Y120 HydrophobicContact CG-CE2 3.89Å; D118-Y120 PolarHBondContact O-N 2.88Å; Y120-C122 WeakPolarHBondContact O-CB 3.4Å; Y120-C122 PolarHBondContact O-N 3.03Å; Y120-C122 VanDerWaalsContact O-N 3.11Å
121G87.6Confident95.4Very high59 Ų5934 Ų3461%0.60820%0.198SC*.SBendtrans65.86.1-17700000114.4L117L117-G121 WeakPolarHBondContact O-CA 3.32Å; L117-G121 PolarHBondContact O-N 2.85Å; L117-G121 VanDerWaalsContact O-N 3.1Å
122C88.4Confident95.2Very high30 Ų3029.5 Ų29.520%0.20318%0.178CC..  trans-163.1129.5-160.4135.10000107.8V42 Y120 R171V42-C122 VanDerWaalsContact CB-O 3.23Å; V42-C122 WeakPolarHBondContact CB-O 3.46Å; V42-C122 WeakPolarHBondContact CG1-O 3.33Å; V42-C122 WeakPolarHBondContact CG2-O 3.47Å; Y120-C122 WeakPolarHBondContact O-CB 3.4Å; Y120-C122 PolarHBondContact O-N 3.03Å; Y120-C122 VanDerWaalsContact O-N 3.11Å; C122-R171 PolarHBondContact SG-NH1 2.95Å
123L94.8Very high94.9Very high1 Ų135.2 Ų35.21%0.00520%0.202CC..  trans-125.7122.3177.7-179.258.4000109.5V42 V44 V116 I125 L126 V164 M168 R171V42-L123 HydrophobicContact CG1-CD1 4.25Å; V44-L123 HydrophobicContact CB-CD1 4.1Å; V44-L123 HydrophobicContact CG2-CD1 3.28Å; V44-L123 HydrophobicContact CG2-CD2 4.34Å; V44-L123 HydrophobicContact CG2-CG 4.45Å; V116-L123 HydrophobicContact CG1-CD2 4.31Å; L123-I125 WeakPolarHBondContact CD1-O 3.2Å; L123-L126 HydrophobicContact CD2-CB 4.29Å; L123-V164 HydrophobicContact CD2-CB 3.82Å; L123-V164 HydrophobicContact CD2-CG1 3.74Å; L123-V164 HydrophobicContact CD2-CG2 4.1Å; L123-M168 HydrophobicContact CB-CE 4.37Å; L123-M168 HydrophobicContact CD2-CE 3.77Å; L123-M168 HydrophobicContact CG-CE 3.7Å; L123-R171 PolarHBondContact O-NH2 3.17Å
124D97.2Very high94.5Very high19 Ų1935.5 Ų35.510%0.10220%0.204CC..SBendtrans-99.3-43.3179.2-64.7-60.4000111.8K41 V42 R171 G174 H175K41-D124 WeakPolarHBondContact CA-OD2 3.47Å; K41-D124 HydrophobicContact CB-CB 4.12Å; K41-D124 HydrophobicContact CD-CB 3.84Å; K41-D124 IonicContact NZ-OD1 3.96Å; V42-D124 PolarHBondContact N-OD2 3.41Å; V42-D124 PolarHBondContact O-N 3.33Å; V42-D124 VanDerWaalsContact O-N 3.07Å; D124-R171 IonicContact OD1-NH2 2.73Å; D124-R171 PolarHBondContact OD1-NH2 2.93Å; D124-G174 CarbonylContact O-C 3.57Å; D124-G174 WeakPolarHBondContact O-CA 3.44Å; D124-H175 PolarHBondContact O-N 2.96Å
125I98.1Very high94.2Very high11 Ų1140.1 Ų40.16%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-135.4132.2-174-59.5159.8000109.2K41 V42 V43 V44 L123 I127 H175 L266K41-I125 HydrophobicContact CB-CD1 4.13Å; K41-I125 HydrophobicContact CG-CD1 4.38Å; V42-I125 PolarHBondContact O-N 3.08Å; V43-I125 CarbonylContact C-O 3.45Å; V43-I125 WeakPolarHBondContact CA-O 3.4Å; V43-I125 HydrophobicContact CB-CB 4.47Å; V43-I125 HydrophobicContact CG1-CB 4.21Å; V43-I125 HydrophobicContact CG1-CG2 4.12Å; V43-I125 HydrophobicContact CG2-CB 4.12Å; V43-I125 HydrophobicContact CG2-CD1 3.96Å; V44-I125 PolarHBondContact N-O 3.29Å; L123-I125 WeakPolarHBondContact CD1-O 3.2Å; I125-I127 HydrophobicContact CG2-CD1 4.45Å; I125-I127 HydrophobicContact CG2-CG1 3.99Å; I125-H175 CarbonylContact C-O 3.54Å; I125-H175 VanDerWaalsContact CA-O 3.31Å; I125-H175 WeakPolarHBondContact CA-O 2.94Å; I125-H175 HydrophobicContact CG1-CB 4.21Å; I125-L266 HydrophobicContact CD1-CD1 4.2Å; I125-L266 HydrophobicContact CG2-CD1 4.03Å; I125-L266 HydrophobicContact CG2-CD2 3.82Å
126L98.4Very high93.8Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-124.4120.5171.8172.257.8000109.9V44 T46 L123 F128 L160 V164 H175 L176 L177V44-L126 HydrophobicContact CB-CD1 3.53Å; V44-L126 HydrophobicContact CG1-CD1 3.39Å; T46-L126 HydrophobicContact CG2-CD1 4.21Å; L123-L126 HydrophobicContact CD2-CB 4.29Å; L126-F128 HydrophobicContact CB-CE2 4.41Å; L126-F128 HydrophobicContact CD2-CE1 3.73Å; L126-F128 HydrophobicContact CD2-CE2 3.73Å; L126-F128 HydrophobicContact CD2-CZ 3.19Å; L126-F128 HydrophobicContact CG-CD2 4.21Å; L126-F128 HydrophobicContact CG-CE1 4.11Å; L126-F128 HydrophobicContact CG-CE2 3.66Å; L126-F128 HydrophobicContact CG-CZ 3.61Å; L126-L160 HydrophobicContact CD1-CD2 4Å; L126-L160 HydrophobicContact CD2-CD2 4.17Å; L126-L160 HydrophobicContact CD2-CG 3.98Å; L126-V164 HydrophobicContact CD2-CG1 4.49Å; L126-V164 HydrophobicContact CD2-CG2 3.79Å; L126-H175 PolarHBondContact N-O 2.74Å; L126-L176 HydrophobicContact CB-CD2 3.9Å; L126-L176 HydrophobicContact CD2-CD2 4.04Å; L126-L176 HydrophobicContact CG-CD2 4.39Å; L126-L177 PolarHBondContact O-N 3.45Å
127I98.6Very high93.5Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-104.8107.6-179.2-57.1175.5000109V43 V44 I45 T46 F60 I125 N129 L177 V179 I262V43-I127 HydrophobicContact CG1-CD1 3.97Å; V43-I127 HydrophobicContact CG1-CG1 4.43Å; V44-I127 PolarHBondContact O-N 3.05Å; I45-I127 HydrophobicContact CG1-CD1 4.32Å; T46-I127 PolarHBondContact N-O 3.48Å; T46-I127 VanDerWaalsContact N-O 3.08Å; T46-I127 PolarHBondContact OG1-O 2.84Å; F60-I127 HydrophobicContact CD2-CD1 4.28Å; F60-I127 HydrophobicContact CE1-CD1 4.31Å; F60-I127 HydrophobicContact CE2-CD1 3.47Å; F60-I127 VanDerWaalsContact CE2-CD1 3.47Å; F60-I127 HydrophobicContact CZ-CD1 3.49Å; F60-I127 VanDerWaalsContact CZ-CD1 3.49Å; I125-I127 HydrophobicContact CG2-CD1 4.45Å; I125-I127 HydrophobicContact CG2-CG1 3.99Å; I127-N129 HydrophobicContact CG2-CB 4.23Å; I127-N129 PolarHBondContact O-N 2.9Å; I127-N129 VanDerWaalsContact O-N 3.16Å; I127-L177 CarbonylContact C-O 3.55Å; I127-L177 WeakPolarHBondContact CA-O 3.47Å; I127-L177 HydrophobicContact CG2-CD2 4.22Å; I127-V179 HydrophobicContact CG2-CG2 3.94Å; I127-I262 HydrophobicContact CD1-CG2 4Å
128F98.5Very high93.3Very high2 Ų240.8 Ų40.81%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-8387.8173.3-56.3-91.6000109.3T46 L126 P157 L160 A161 L176 L177 L178 V179 F205T46-F128 WeakPolarHBondContact OG1-CA 3.41Å; L126-F128 HydrophobicContact CB-CE2 4.41Å; L126-F128 HydrophobicContact CD2-CE1 3.73Å; L126-F128 HydrophobicContact CD2-CE2 3.73Å; L126-F128 HydrophobicContact CD2-CZ 3.19Å; L126-F128 HydrophobicContact CG-CD2 4.21Å; L126-F128 HydrophobicContact CG-CE1 4.11Å; L126-F128 HydrophobicContact CG-CE2 3.66Å; L126-F128 HydrophobicContact CG-CZ 3.61Å; F128-P157 HydrophobicContact CD1-CB 3.92Å; F128-P157 HydrophobicContact CE1-CB 4.42Å; F128-P157 WeakPolarHBondContact CE1-O 3.43Å; F128-L160 HydrophobicContact CD1-CD2 4.44Å; F128-L160 HydrophobicContact CE1-CB 4.15Å; F128-L160 HydrophobicContact CE1-CD2 4.02Å; F128-L160 HydrophobicContact CE1-CG 4.15Å; F128-A161 HydrophobicContact CE1-CB 4.14Å; F128-A161 HydrophobicContact CZ-CB 3.64Å; F128-L176 HydrophobicContact CE2-CB 4.17Å; F128-L176 HydrophobicContact CE2-CD2 4.07Å; F128-L176 HydrophobicContact CZ-CD2 4.38Å; F128-L177 PolarHBondContact N-O 2.88Å; F128-L178 HydrophobicContact CB-CD1 3.82Å; F128-V179 WeakPolarHBondContact O-CB 3.16Å; F128-V179 PolarHBondContact O-N 3.01Å; F128-F205 HydrophobicContact CD1-CZ 4.27Å; F128-F205 AromaticContact CD2-CE1 3.69Å; F128-F205 HydrophobicContact CD2-CE1 3.69Å; F128-F205 AromaticContact CD2-CZ 3.52Å; F128-F205 HydrophobicContact CD2-CZ 3.52Å; F128-F205 HydrophobicContact CE1-CZ 4.2Å; F128-F205 AromaticContact CE2-CE1 3.53Å; F128-F205 HydrophobicContact CE2-CE1 3.53Å; F128-F205 AromaticContact CE2-CZ 3.46Å; F128-F205 HydrophobicContact CE2-CZ 3.46Å; F128-F205 VanDerWaalsContact CE2-CZ 3.46Å; F128-F205 AromaticContact CG-CZ 3.93Å; F128-F205 HydrophobicContact CG-CZ 3.93Å; F128-F205 HydrophobicContact CZ-CE1 4.23Å; F128-F205 AromaticContact CZ-CZ 3.8Å; F128-F205 HydrophobicContact CZ-CZ 3.8Å
129N96.4Very high93.1Very high14 Ų1442.7 Ų42.78%0.07524%0.239CC..  trans-98-22.2178.6167.480000114T46 D47 S50 L52 I127 S131 V179T46-N129 WeakPolarHBondContact O-CB 3.43Å; T46-N129 PolarHBondContact O-ND2 3.17Å; T46-N129 PolarHBondContact OG1-N 2.85Å; D47-N129 PolarHBondContact O-ND2 2.66Å; D47-N129 VanDerWaalsContact O-ND2 3.12Å; S50-N129 PolarHBondContact OG-ND2 2.81Å; L52-N129 VanDerWaalsContact CD2-OD1 3.31Å; L52-N129 WeakPolarHBondContact CD2-OD1 3.42Å; L52-N129 WeakPolarHBondContact CG-OD1 3.42Å; I127-N129 HydrophobicContact CG2-CB 4.23Å; I127-N129 PolarHBondContact O-N 2.9Å; I127-N129 VanDerWaalsContact O-N 3.16Å; N129-S131 PolarHBondContact O-N 2.87Å; N129-V179 HydrophobicContact CB-CG2 4.29Å
130S91.2Very high93Very high15 Ų1545.6 Ų45.611%0.10526%0.26CS..  trans-58.7134.3-177.7-173.80000112.3T46T46-S130 PolarHBondContact OG1-N 2.95Å
131S90.8Very high93Very high29 Ų2944.4 Ų44.420%0.20326%0.258CS..  trans-158.2128.5172.4-171.80000114N129 N153 K198N129-S131 PolarHBondContact O-N 2.87Å; S131-N153 WeakPolarHBondContact CA-OD1 3.21Å; S131-N153 PolarHBondContact OG-OD1 3.4Å; S131-K198 WeakPolarHBondContact OG-CE 3.4Å; S131-K198 PolarHBondContact OG-NZ 2.55Å
132M93.7Very high93.4Very high50 Ų5043.9 Ų43.925%0.24625%0.245CC..  trans-86.5133.8166.9-178-175.8-179.400110.3V134 L148 L149 N152 N153 Y194M132-V134 HydrophobicContact CE-CG2 3.94Å; M132-L148 HydrophobicContact CE-CD2 4.11Å; M132-L148 HydrophobicContact CE-CG 4.49Å; M132-L148 HydrophobicContact SD-CD2 4.32Å; M132-L148 HydrophobicContact SD-CG 4.13Å; M132-L149 HydrophobicContact CB-CD1 3.77Å; M132-L149 HydrophobicContact CG-CD1 3.66Å; M132-L149 VanDerWaalsContact O-CD1 3.24Å; M132-L149 WeakPolarHBondContact O-CD1 3.4Å; M132-L149 HydrophobicContact SD-CB 4.49Å; M132-L149 HydrophobicContact SD-CD1 3.91Å; M132-N152 HydrophobicContact CB-CB 3.73Å; M132-N152 HydrophobicContact SD-CB 4.47Å; M132-N153 PolarHBondContact N-OD1 3.4Å; M132-N153 PolarHBondContact O-ND2 3.39Å; M132-N153 PolarHBondContact O-OD1 2.85Å; M132-Y194 VanDerWaalsContact O-CD2 3.23Å; M132-Y194 WeakPolarHBondContact O-CD2 3.38Å; M132-Y194 VanDerWaalsContact O-CE2 3.25Å; M132-Y194 WeakPolarHBondContact O-CE2 3.34Å
133K90.4Very high93.8Very high125 Ų12547.3 Ų47.354%0.54326%0.261SS..  trans-117.3126.3-177.5-64.3171.4-172.5163.70110.2Y194K133-Y194 HydrophobicContact CB-CE2 4.33Å; K133-Y194 HydrophobicContact CG-CE2 3.82Å
134V89.8Confident93.9Very high25 Ų2553.4 Ų53.415%0.15229%0.289CS..  trans-127.7137.9176.6175.60000109.8M132 A136 L141 T145 L149 R191M132-V134 HydrophobicContact CE-CG2 3.94Å; V134-A136 HydrophobicContact CG1-CB 4.38Å; V134-L141 HydrophobicContact CG1-CD1 3.79Å; V134-L141 HydrophobicContact CG1-CD2 3.95Å; V134-T145 HydrophobicContact CG2-CG2 4.49Å; V134-L149 HydrophobicContact CB-CD2 4.32Å; V134-L149 HydrophobicContact CG2-CD1 3.99Å; V134-L149 HydrophobicContact CG2-CD2 4.37Å; V134-R191 WeakPolarHBondContact O-CD 3.41Å; V134-R191 PolarHBondContact O-NH1 3.24Å
135K89.7Confident93.8Very high142 Ų14254.6 Ų54.662%0.61730%0.297SS*.  trans-125.9111170.1-169.1-171.7174.2-165.80108.4F190K135-F190 CarbonylContact C-O 3.6Å; K135-F190 VanDerWaalsContact CA-O 3.23Å; K135-F190 WeakPolarHBondContact CA-O 3.45Å; K135-F190 HydrophobicContact CG-CB 3.95Å; K135-F190 WeakPolarHBondContact CG-O 3.35Å
136A88.6Confident93.7Very high20 Ų2056.5 Ų56.517%0.16531%0.307CS..  trans-156.7150.917900000110.2V134 L141 F190V134-A136 HydrophobicContact CG1-CB 4.38Å; A136-L141 HydrophobicContact CB-CB 4.44Å; A136-L141 HydrophobicContact CB-CD1 4.17Å; A136-F190 PolarHBondContact N-O 3.16Å; A136-F190 CarbonylContact O-C 3.28Å; A136-F190 VanDerWaalsContact O-C 3.28Å; A136-F190 VanDerWaalsContact O-CA 3.24Å; A136-F190 WeakPolarHBondContact O-CA 3.35Å
137P90.9Very high93.7Very high47 Ų4762.2 Ų62.231%0.30533%0.332SS..  trans-51.7145.1161-22.330.5000111.5Q139 S140 F190P137-Q139 VanDerWaalsContact C-N 3.26Å; P137-Q139 HydrophobicContact CB-CG 4.46Å; P137-Q139 PolarHBondContact O-N 3.43Å; P137-S140 WeakPolarHBondContact CB-OG 3.31Å; P137-S140 VanDerWaalsContact CD-OG 3.23Å; P137-S140 WeakPolarHBondContact CD-OG 3.39Å; P137-S140 PolarHBondContact O-N 3.2Å; P137-S140 PolarHBondContact O-OG 3.48Å; P137-F190 HydrophobicContact CB-CD1 4.39Å; P137-F190 HydrophobicContact CG-CD1 4.08Å; P137-F190 HydrophobicContact CG-CE1 4.31Å
138A91.8Very high93.6Very high59 Ų5965.5 Ų65.549%0.48835%0.349SS..G310 helixtrans-61.3-39-177.200000111.6S140 T192A138-S140 VanDerWaalsContact C-N 3.25Å; A138-S140 PolarHBondContact O-N 3.37Å; A138-T192 HydrophobicContact CB-CG2 4.39Å
139Q93.6Very high93.5Very high170 Ų17065.4 Ų65.479%0.79435%0.349SS*.G310 helixtrans-72.9-12.9-179.168.5-86.528.300114.5P137P137-Q139 VanDerWaalsContact C-N 3.26Å; P137-Q139 HydrophobicContact CB-CG 4.46Å; P137-Q139 PolarHBondContact O-N 3.43Å
140S92.1Very high93.6Very high77 Ų7767 Ų6754%0.53836%0.357SS..G310 helixtrans-102.8-9.1-177.858.10000113.7P137 A138P137-S140 WeakPolarHBondContact CB-OG 3.31Å; P137-S140 VanDerWaalsContact CD-OG 3.23Å; P137-S140 WeakPolarHBondContact CD-OG 3.39Å; P137-S140 PolarHBondContact O-N 3.2Å; P137-S140 PolarHBondContact O-OG 3.48Å; A138-S140 VanDerWaalsContact C-N 3.25Å; A138-S140 PolarHBondContact O-N 3.37Å
141L92.9Very high93.9Very high38 Ų3868.2 Ų68.220%0.19936%0.362CS..SBendtrans-90.9132.8-177.7-161.760000109.7V134 A136 T145 D146 A193V134-L141 HydrophobicContact CG1-CD1 3.79Å; V134-L141 HydrophobicContact CG1-CD2 3.95Å; A136-L141 HydrophobicContact CB-CB 4.44Å; A136-L141 HydrophobicContact CB-CD1 4.17Å; L141-T145 HydrophobicContact CD1-CG2 3.64Å; L141-T145 HydrophobicContact CG-CG2 4.28Å; L141-D146 WeakPolarHBondContact CD2-OD1 3.22Å; L141-A193 HydrophobicContact CD2-CB 3.63Å
142S96.3Very high94.2Very high48 Ų4867.3 Ų67.334%0.33636%0.355SS..  trans-78.7151.5179.490.30000111.1E144 T145 D146S142-E144 WeakPolarHBondContact CB-OE2 3.33Å; S142-E144 PolarHBondContact O-N 3.29Å; S142-E144 PolarHBondContact OG-N 3.45Å; S142-E144 PolarHBondContact OG-OE2 2.9Å; S142-T145 WeakPolarHBondContact O-CB 3.48Å; S142-T145 PolarHBondContact O-N 3.18Å; S142-T145 PolarHBondContact OG-N 2.85Å; S142-T145 PolarHBondContact OG-OG1 2.89Å; S142-T145 VanDerWaalsContact OG-OG1 3.11Å; S142-D146 PolarHBondContact O-N 3.17Å
143L96.4Very high94.4Very high102 Ų10265 Ų6553%0.53434%0.343SS..Hα-helixtrans-63-30.6177.8-17961.4000111.9T145 D146 K147L143-T145 VanDerWaalsContact C-N 3.32Å; L143-D146 HydrophobicContact CD1-CB 4.4Å; L143-D146 WeakPolarHBondContact O-CB 3.12Å; L143-D146 PolarHBondContact O-N 3.18Å; L143-K147 WeakPolarHBondContact O-CG 3.1Å; L143-K147 PolarHBondContact O-N 2.94Å
144E96.9Very high94.8Very high128 Ų12861.4 Ų61.460%0.59833%0.327SS*.Hα-helixtrans-63.6-41.3174.7-58.370.7-15100110.7S142 K147 L148S142-E144 WeakPolarHBondContact CB-OE2 3.33Å; S142-E144 PolarHBondContact O-N 3.29Å; S142-E144 PolarHBondContact OG-N 3.45Å; S142-E144 PolarHBondContact OG-OE2 2.9Å; E144-K147 PolarHBondContact O-N 3.46Å; E144-L148 WeakPolarHBondContact O-CB 3.17Å; E144-L148 PolarHBondContact O-N 3.39Å
145T95.6Very high95.2Very high44 Ų4464.5 Ų64.527%0.2734%0.338SS..Hα-helixtrans-68.6-37.5175.9-51.70000111.1V134 L141 S142 L143 L148 L149V134-T145 HydrophobicContact CG2-CG2 4.49Å; L141-T145 HydrophobicContact CD1-CG2 3.64Å; L141-T145 HydrophobicContact CG-CG2 4.28Å; S142-T145 WeakPolarHBondContact O-CB 3.48Å; S142-T145 PolarHBondContact O-N 3.18Å; S142-T145 PolarHBondContact OG-N 2.85Å; S142-T145 PolarHBondContact OG-OG1 2.89Å; S142-T145 VanDerWaalsContact OG-OG1 3.11Å; L143-T145 VanDerWaalsContact C-N 3.32Å; T145-L148 PolarHBondContact O-N 2.89Å; T145-L149 VanDerWaalsContact O-CB 3.24Å; T145-L149 WeakPolarHBondContact O-CB 3.19Å; T145-L149 PolarHBondContact O-N 3.3Å
146D96.1Very high95.6Very high51 Ų5157.8 Ų57.827%0.27331%0.309SS..Hα-helixtrans-60.9-44.5174-71.3-23.9000111.7L141 S142 L143 L149 M150 A193L141-D146 WeakPolarHBondContact CD2-OD1 3.22Å; S142-D146 PolarHBondContact O-N 3.17Å; L143-D146 HydrophobicContact CD1-CB 4.4Å; L143-D146 WeakPolarHBondContact O-CB 3.12Å; L143-D146 PolarHBondContact O-N 3.18Å; D146-L149 PolarHBondContact O-N 3.03Å; D146-M150 WeakPolarHBondContact O-CG 3.3Å; D146-M150 PolarHBondContact O-N 3.24Å; D146-A193 WeakPolarHBondContact OD1-CB 3.42Å
147K97.4Very high96.1Very high121 Ų12157 Ų5753%0.52630%0.302SS..Hα-helixtrans-63-50.9176-73.5173.8180177.90111.4L143 E144 L149 M150 D151L143-K147 WeakPolarHBondContact O-CG 3.1Å; L143-K147 PolarHBondContact O-N 2.94Å; E144-K147 PolarHBondContact O-N 3.46Å; K147-L149 PolarHBondContact O-N 3.24Å; K147-M150 CarbonylContact O-C 3.56Å; K147-M150 WeakPolarHBondContact O-CA 3.39Å; K147-M150 WeakPolarHBondContact O-CB 3.17Å; K147-M150 PolarHBondContact O-N 3.26Å; K147-D151 VanDerWaalsContact O-CG 3.29Å; K147-D151 PolarHBondContact O-N 3.16Å
148L96.8Very high96.5Very high69 Ų6955.1 Ų55.136%0.36129%0.289SS..Hα-helixtrans-57.5-37.9178-179.263.9000112.1M132 E144 T145 D151 N152M132-L148 HydrophobicContact CE-CD2 4.11Å; M132-L148 HydrophobicContact CE-CG 4.49Å; M132-L148 HydrophobicContact SD-CD2 4.32Å; M132-L148 HydrophobicContact SD-CG 4.13Å; E144-L148 WeakPolarHBondContact O-CB 3.17Å; E144-L148 PolarHBondContact O-N 3.39Å; T145-L148 PolarHBondContact O-N 2.89Å; L148-D151 PolarHBondContact O-N 3.35Å; L148-N152 WeakPolarHBondContact CD1-ND2 3.34Å; L148-N152 WeakPolarHBondContact O-CB 3.27Å; L148-N152 PolarHBondContact O-N 3.48Å; L148-N152 PolarHBondContact O-ND2 2.94Å
149L96.4Very high96.8Very high0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-67.7-39.5176-170.567000112M132 V134 T145 D146 K147 N153 A193 Y194M132-L149 HydrophobicContact CB-CD1 3.77Å; M132-L149 HydrophobicContact CG-CD1 3.66Å; M132-L149 VanDerWaalsContact O-CD1 3.24Å; M132-L149 WeakPolarHBondContact O-CD1 3.4Å; M132-L149 HydrophobicContact SD-CB 4.49Å; M132-L149 HydrophobicContact SD-CD1 3.91Å; V134-L149 HydrophobicContact CB-CD2 4.32Å; V134-L149 HydrophobicContact CG2-CD1 3.99Å; V134-L149 HydrophobicContact CG2-CD2 4.37Å; T145-L149 VanDerWaalsContact O-CB 3.24Å; T145-L149 WeakPolarHBondContact O-CB 3.19Å; T145-L149 PolarHBondContact O-N 3.3Å; D146-L149 PolarHBondContact O-N 3.03Å; K147-L149 PolarHBondContact O-N 3.24Å; L149-N153 WeakPolarHBondContact CD1-ND2 3.17Å; L149-N153 VanDerWaalsContact O-CB 3.29Å; L149-N153 WeakPolarHBondContact O-CB 3.2Å; L149-N153 PolarHBondContact O-N 3.49Å; L149-A193 HydrophobicContact CD2-CB 3.47Å; L149-A193 VanDerWaalsContact CD2-CB 3.47Å; L149-Y194 VanDerWaalsContact CD2-N 3.33Å
150M98.1Very high97Very high48 Ų4846.6 Ų46.624%0.23624%0.243CC..Hα-helixtrans-65.6-38.9172.2-75.5-63.4-64.300111.8D146 K147 Y154 F155 A200D146-M150 WeakPolarHBondContact O-CG 3.3Å; D146-M150 PolarHBondContact O-N 3.24Å; K147-M150 CarbonylContact O-C 3.56Å; K147-M150 WeakPolarHBondContact O-CA 3.39Å; K147-M150 WeakPolarHBondContact O-CB 3.17Å; K147-M150 PolarHBondContact O-N 3.26Å; M150-Y154 HydrophobicContact CE-CD1 3.6Å; M150-Y154 HydrophobicContact CE-CE1 4.39Å; M150-Y154 HydrophobicContact CE-CG 3.95Å; M150-Y154 CarbonylContact O-C 3.45Å; M150-Y154 VanDerWaalsContact O-CA 3.29Å; M150-Y154 WeakPolarHBondContact O-CA 3.46Å; M150-Y154 VanDerWaalsContact O-CB 3.26Å; M150-Y154 WeakPolarHBondContact O-CB 3.36Å; M150-Y154 PolarHBondContact O-N 3.04Å; M150-F155 HydrophobicContact CB-CD2 4.14Å; M150-F155 HydrophobicContact CB-CE2 4.07Å; M150-F155 HydrophobicContact CE-CE2 4.41Å; M150-F155 PolarHBondContact O-N 3.49Å; M150-A200 HydrophobicContact CE-CB 4.21Å
151D97.8Very high97.3Very high40 Ų4043 Ų4321%0.21422%0.218CC..Iπ-helixtrans-61.7-51.4175.2-62.8-28.6000110.1F103 M106 K147 L148 N153 F155 G156F103-D151 CarbonylContact O-C 3.57Å; F103-D151 VanDerWaalsContact O-C 3.29Å; F103-D151 WeakPolarHBondContact O-CB 3.3Å; M106-D151 HydrophobicContact CG-CB 4.14Å; M106-D151 HydrophobicContact SD-CB 4.28Å; K147-D151 VanDerWaalsContact O-CG 3.29Å; K147-D151 PolarHBondContact O-N 3.16Å; L148-D151 PolarHBondContact O-N 3.35Å; D151-N153 PolarHBondContact O-N 3.33Å; D151-F155 PolarHBondContact O-N 2.95Å; D151-F155 VanDerWaalsContact OD1-CD2 3.3Å; D151-F155 WeakPolarHBondContact OD1-CD2 3.22Å; D151-G156 WeakPolarHBondContact O-CA 3.45Å; D151-G156 PolarHBondContact O-N 3.37Å
152N97.6Very high97.6Very high9 Ų947 Ų475%0.04823%0.234CC..Iπ-helixtrans-65.8-39.5-178.2-83.1-98.7000114.2F103 G104 M132 L148F103-N152 HydrophobicContact CB-CB 4.49Å; F103-N152 WeakPolarHBondContact CD2-O 3.39Å; G104-N152 VanDerWaalsContact CA-ND2 3.33Å; G104-N152 WeakPolarHBondContact CA-ND2 3.32Å; G104-N152 PolarHBondContact N-ND2 3.26Å; M132-N152 HydrophobicContact CB-CB 3.73Å; M132-N152 HydrophobicContact SD-CB 4.47Å; L148-N152 WeakPolarHBondContact CD1-ND2 3.34Å; L148-N152 WeakPolarHBondContact O-CB 3.27Å; L148-N152 PolarHBondContact O-N 3.48Å; L148-N152 PolarHBondContact O-ND2 2.94Å
153N98.1Very high97.6Very high1 Ų146 Ų461%0.00523%0.231CC..Iπ-helixtrans-100.3-17.2-172.3-71.8-26.5000114.2S131 M132 L149 D151 S197 K198 V201S131-N153 WeakPolarHBondContact CA-OD1 3.21Å; S131-N153 PolarHBondContact OG-OD1 3.4Å; M132-N153 PolarHBondContact N-OD1 3.4Å; M132-N153 PolarHBondContact O-ND2 3.39Å; M132-N153 PolarHBondContact O-OD1 2.85Å; L149-N153 WeakPolarHBondContact CD1-ND2 3.17Å; L149-N153 VanDerWaalsContact O-CB 3.29Å; L149-N153 WeakPolarHBondContact O-CB 3.2Å; L149-N153 PolarHBondContact O-N 3.49Å; D151-N153 PolarHBondContact O-N 3.33Å; N153-S197 WeakPolarHBondContact CB-OG 3.41Å; N153-S197 PolarHBondContact ND2-OG 3.08Å; N153-K198 HydrophobicContact CB-CD 4.34Å; N153-V201 WeakPolarHBondContact O-CB 3.2Å
154Y98.5Very high97.7Very high51 Ų5141.1 Ų41.120%0.221%0.206CC..Iπ-helixtrans-129.3-68.1-175.7177.7-111.7000112.5M150 G156 P157 I158 A200 V201 F204M150-Y154 HydrophobicContact CE-CD1 3.6Å; M150-Y154 HydrophobicContact CE-CE1 4.39Å; M150-Y154 HydrophobicContact CE-CG 3.95Å; M150-Y154 CarbonylContact O-C 3.45Å; M150-Y154 VanDerWaalsContact O-CA 3.29Å; M150-Y154 WeakPolarHBondContact O-CA 3.46Å; M150-Y154 VanDerWaalsContact O-CB 3.26Å; M150-Y154 WeakPolarHBondContact O-CB 3.36Å; M150-Y154 PolarHBondContact O-N 3.04Å; Y154-G156 PolarHBondContact O-N 3.06Å; Y154-P157 WeakPolarHBondContact O-CD 3.34Å; Y154-I158 HydrophobicContact CD1-CD1 4.22Å; Y154-I158 HydrophobicContact CD2-CG2 3.96Å; Y154-I158 HydrophobicContact CE1-CD1 3.72Å; Y154-I158 HydrophobicContact CE2-CD1 4.08Å; Y154-I158 HydrophobicContact CE2-CG2 3.83Å; Y154-I158 WeakPolarHBondContact O-CG1 3.41Å; Y154-I158 WeakPolarHBondContact O-CG2 3.48Å; Y154-I158 PolarHBondContact O-N 3.42Å; Y154-A200 HydrophobicContact CD2-CB 3.82Å; Y154-A200 HydrophobicContact CE2-CB 4.08Å; Y154-A200 HydrophobicContact CG-CB 4.11Å; Y154-V201 HydrophobicContact CD2-CB 4Å; Y154-F204 HydrophobicContact CE2-CB 3.97Å
155F98.5Very high97.7Very high90 Ų9036.6 Ų36.640%0.39519%0.185SC..Iπ-helixtrans-63.2-40.7-171.4-65.9-68.6000112.8M106 M150 D151 I158 T159M106-F155 HydrophobicContact CE-CB 4.05Å; M106-F155 HydrophobicContact SD-CB 4.34Å; M150-F155 HydrophobicContact CB-CD2 4.14Å; M150-F155 HydrophobicContact CB-CE2 4.07Å; M150-F155 HydrophobicContact CE-CE2 4.41Å; M150-F155 PolarHBondContact O-N 3.49Å; D151-F155 PolarHBondContact O-N 2.95Å; D151-F155 VanDerWaalsContact OD1-CD2 3.3Å; D151-F155 WeakPolarHBondContact OD1-CD2 3.22Å; F155-I158 HydrophobicContact CD1-CD1 4.1Å; F155-I158 WeakPolarHBondContact O-CG1 3.46Å; F155-T159 WeakPolarHBondContact O-CB 3.26Å; F155-T159 PolarHBondContact O-N 3.32Å; F155-T159 PolarHBondContact O-OG1 3.47Å
156G98.3Very high97.8Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-58.8-59.917400000112.8M109 D151 Y154 I158 T159 L160M109-G156 WeakPolarHBondContact CE-O 3.4Å; D151-G156 WeakPolarHBondContact O-CA 3.45Å; D151-G156 PolarHBondContact O-N 3.37Å; Y154-G156 PolarHBondContact O-N 3.06Å; G156-I158 VanDerWaalsContact C-N 3.35Å; G156-I158 PolarHBondContact O-N 3.07Å; G156-T159 PolarHBondContact O-N 2.88Å; G156-T159 VanDerWaalsContact O-N 3.11Å; G156-L160 PolarHBondContact O-N 3.39Å
157P98.3Very high97.8Very high4 Ų437.7 Ų37.73%0.02620%0.196CC..Hα-helixtrans-53.1-44.7176.7-30.135.2000114.3F103 F128 Y154 T159 A161 V201F103-P157 HydrophobicContact CD2-CG 3.99Å; F103-P157 HydrophobicContact CE2-CG 3.71Å; F103-P157 HydrophobicContact CZ-CG 4.3Å; F128-P157 HydrophobicContact CD1-CB 3.92Å; F128-P157 HydrophobicContact CE1-CB 4.42Å; F128-P157 WeakPolarHBondContact CE1-O 3.43Å; Y154-P157 WeakPolarHBondContact O-CD 3.34Å; P157-T159 VanDerWaalsContact C-N 3.34Å; P157-T159 PolarHBondContact O-N 3.44Å; P157-A161 WeakPolarHBondContact O-CB 3.46Å; P157-A161 PolarHBondContact O-N 3.25Å; P157-V201 HydrophobicContact CB-CG2 4.32Å
158I98.3Very high97.8Very high7 Ų731.9 Ų31.94%0.03617%0.171CC..Hα-helixtrans-71.8-30.3-179.673.7-179.8000112.3Y154 F155 G156 A161 K162 F204Y154-I158 HydrophobicContact CD1-CD1 4.22Å; Y154-I158 HydrophobicContact CD2-CG2 3.96Å; Y154-I158 HydrophobicContact CE1-CD1 3.72Å; Y154-I158 HydrophobicContact CE2-CD1 4.08Å; Y154-I158 HydrophobicContact CE2-CG2 3.83Å; Y154-I158 WeakPolarHBondContact O-CG1 3.41Å; Y154-I158 WeakPolarHBondContact O-CG2 3.48Å; Y154-I158 PolarHBondContact O-N 3.42Å; F155-I158 HydrophobicContact CD1-CD1 4.1Å; F155-I158 WeakPolarHBondContact O-CG1 3.46Å; G156-I158 VanDerWaalsContact C-N 3.35Å; G156-I158 PolarHBondContact O-N 3.07Å; I158-A161 PolarHBondContact O-N 3.07Å; I158-K162 VanDerWaalsContact O-CB 3.3Å; I158-K162 WeakPolarHBondContact O-CB 3.46Å; I158-K162 WeakPolarHBondContact O-CG 3.31Å; I158-K162 PolarHBondContact O-N 3.25Å; I158-F204 HydrophobicContact CB-CD1 4.12Å; I158-F204 HydrophobicContact CB-CD2 4.24Å; I158-F204 HydrophobicContact CB-CE1 3.83Å; I158-F204 HydrophobicContact CB-CE2 3.99Å; I158-F204 HydrophobicContact CB-CG 4.31Å; I158-F204 HydrophobicContact CB-CZ 3.77Å; I158-F204 HydrophobicContact CG2-CB 4.08Å; I158-F204 HydrophobicContact CG2-CD1 3.36Å; I158-F204 HydrophobicContact CG2-CD2 3.78Å; I158-F204 HydrophobicContact CG2-CE1 3.61Å; I158-F204 HydrophobicContact CG2-CE2 4.03Å; I158-F204 HydrophobicContact CG2-CG 3.45Å; I158-F204 VanDerWaalsContact CG2-CG 3.45Å; I158-F204 HydrophobicContact CG2-CZ 3.95Å
159T98.6Very high97.8Very high50 Ų5030.6 Ų30.631%0.30717%0.166SC..Hα-helixtrans-68.2-45.8176.9-62.60000109.8M106 M109 F155 G156 P157 K162 G163M106-T159 HydrophobicContact CE-CG2 4.46Å; M109-T159 HydrophobicContact CB-CG2 3.95Å; M109-T159 HydrophobicContact CE-CG2 3.98Å; M109-T159 HydrophobicContact CG-CG2 4.47Å; F155-T159 WeakPolarHBondContact O-CB 3.26Å; F155-T159 PolarHBondContact O-N 3.32Å; F155-T159 PolarHBondContact O-OG1 3.47Å; G156-T159 PolarHBondContact O-N 2.88Å; G156-T159 VanDerWaalsContact O-N 3.11Å; P157-T159 VanDerWaalsContact C-N 3.34Å; P157-T159 PolarHBondContact O-N 3.44Å; T159-K162 PolarHBondContact O-N 2.88Å; T159-G163 PolarHBondContact O-N 2.81Å
160L98.4Very high97.9Very high1 Ų135 Ų351%0.00520%0.197CC..Hα-helixtrans-61.4-45.2173.1-179.361.2000111.6T46 L101 F103 M109 V113 L126 F128 G156 K162 G163 V164T46-L160 HydrophobicContact CG2-CD2 3.63Å; L101-L160 HydrophobicContact CD2-CD2 4.13Å; F103-L160 HydrophobicContact CE1-CB 4.3Å; F103-L160 HydrophobicContact CE1-CD2 4.24Å; F103-L160 HydrophobicContact CZ-CD2 4Å; M109-L160 HydrophobicContact CE-CB 3.97Å; V113-L160 HydrophobicContact CG2-CD1 3.81Å; L126-L160 HydrophobicContact CD1-CD2 4Å; L126-L160 HydrophobicContact CD2-CD2 4.17Å; L126-L160 HydrophobicContact CD2-CG 3.98Å; F128-L160 HydrophobicContact CD1-CD2 4.44Å; F128-L160 HydrophobicContact CE1-CB 4.15Å; F128-L160 HydrophobicContact CE1-CD2 4.02Å; F128-L160 HydrophobicContact CE1-CG 4.15Å; G156-L160 PolarHBondContact O-N 3.39Å; L160-K162 PolarHBondContact O-N 3.44Å; L160-G163 PolarHBondContact O-N 3.4Å; L160-V164 HydrophobicContact CD1-CG1 4.25Å; L160-V164 PolarHBondContact O-N 3.49Å; L160-V164 VanDerWaalsContact O-N 3.1Å
161A98.4Very high97.8Very high1 Ų137.3 Ų37.31%0.00820%0.203CC..Hα-helixtrans-57.7-49.9176.700000111.8F128 P157 I158 G163 V164 L165 F204 F205F128-A161 HydrophobicContact CE1-CB 4.14Å; F128-A161 HydrophobicContact CZ-CB 3.64Å; P157-A161 WeakPolarHBondContact O-CB 3.46Å; P157-A161 PolarHBondContact O-N 3.25Å; I158-A161 PolarHBondContact O-N 3.07Å; A161-G163 VanDerWaalsContact C-N 3.31Å; A161-G163 PolarHBondContact O-N 3.18Å; A161-V164 WeakPolarHBondContact O-CG2 3.43Å; A161-V164 PolarHBondContact O-N 3.44Å; A161-L165 VanDerWaalsContact O-CB 3.3Å; A161-L165 WeakPolarHBondContact O-CB 3.31Å; A161-L165 PolarHBondContact O-N 3.5Å; A161-F204 HydrophobicContact CB-CE1 4.21Å; A161-F205 HydrophobicContact CB-CZ 4.42Å
162K98.3Very high97.7Very high122 Ų12242.3 Ų42.353%0.5322%0.219SC..Hα-helixtrans-62.5-37.7177.8-74.3172.5179.2-176.50112.3I158 T159 L160 P166 F204I158-K162 VanDerWaalsContact O-CB 3.3Å; I158-K162 WeakPolarHBondContact O-CB 3.46Å; I158-K162 WeakPolarHBondContact O-CG 3.31Å; I158-K162 PolarHBondContact O-N 3.25Å; T159-K162 PolarHBondContact O-N 2.88Å; L160-K162 PolarHBondContact O-N 3.44Å; K162-P166 WeakPolarHBondContact O-CD 3.33Å; K162-F204 HydrophobicContact CG-CZ 4.34Å
163G97.7Very high97.7Very high27 Ų2744.2 Ų44.228%0.27823%0.233SC..Hα-helixtrans-63.6-41.8179.100000113.2T159 L160 A161T159-G163 PolarHBondContact O-N 2.81Å; L160-G163 PolarHBondContact O-N 3.4Å; A161-G163 VanDerWaalsContact C-N 3.31Å; A161-G163 PolarHBondContact O-N 3.18Å
164V97.3Very high97.6Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-85.5-20.1-179-56.20000113.8V116 L117 L123 L126 L160 A161 S167 M168 L176V116-V164 HydrophobicContact CG1-CG1 4.44Å; L117-V164 HydrophobicContact CD2-CB 4.37Å; L117-V164 HydrophobicContact CD2-CG1 4.26Å; L123-V164 HydrophobicContact CD2-CB 3.82Å; L123-V164 HydrophobicContact CD2-CG1 3.74Å; L123-V164 HydrophobicContact CD2-CG2 4.1Å; L126-V164 HydrophobicContact CD2-CG1 4.49Å; L126-V164 HydrophobicContact CD2-CG2 3.79Å; L160-V164 HydrophobicContact CD1-CG1 4.25Å; L160-V164 PolarHBondContact O-N 3.49Å; L160-V164 VanDerWaalsContact O-N 3.1Å; A161-V164 WeakPolarHBondContact O-CG2 3.43Å; A161-V164 PolarHBondContact O-N 3.44Å; V164-S167 PolarHBondContact O-N 3.01Å; V164-M168 HydrophobicContact CG2-CE 4.38Å; V164-M168 PolarHBondContact O-N 3.5Å; V164-L176 HydrophobicContact CG2-CD2 4.32Å
165L97.6Very high97.6Very high33 Ų3342.7 Ų42.717%0.17323%0.23CC..Hα-helixtrans-59.1-42.2-171.7-169.266.1000114.2A161 S167 M168 V169 L176 L208 V212 I217A161-L165 VanDerWaalsContact O-CB 3.3Å; A161-L165 WeakPolarHBondContact O-CB 3.31Å; A161-L165 PolarHBondContact O-N 3.5Å; L165-S167 VanDerWaalsContact C-N 3.26Å; L165-S167 PolarHBondContact O-N 2.92Å; L165-M168 PolarHBondContact O-N 3.24Å; L165-M168 VanDerWaalsContact O-N 3.09Å; L165-V169 HydrophobicContact CD1-CG2 4.27Å; L165-V169 HydrophobicContact CG-CG2 4.05Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 3.42Å; L165-L176 HydrophobicContact CD1-CD1 4.46Å; L165-L208 HydrophobicContact CD2-CD1 3.87Å; L165-V212 HydrophobicContact CD1-CG1 3.82Å; L165-V212 HydrophobicContact CD2-CG1 4.21Å; L165-I217 HydrophobicContact CD1-CD1 3.97Å
166P96.9Very high97.6Very high87 Ų8738.4 Ų38.457%0.56521%0.211SC*.Hα-helixtrans-55.9-38.5177.7-27.735.7000113.6K162 V169 S170K162-P166 WeakPolarHBondContact O-CD 3.33Å; P166-V169 PolarHBondContact O-N 3.1Å; P166-S170 WeakPolarHBondContact O-CB 3.31Å; P166-S170 PolarHBondContact O-N 3.22Å; P166-S170 PolarHBondContact O-OG 3.08Å
167S96.1Very high97.6Very high30 Ų3038.4 Ų38.421%0.2121%0.211CC..Hα-helixtrans-69-39.5177.1-177.60000112.1V164 L165 S170 R171V164-S167 PolarHBondContact O-N 3.01Å; L165-S167 VanDerWaalsContact C-N 3.26Å; L165-S167 PolarHBondContact O-N 2.92Å; S167-S170 PolarHBondContact O-OG 3.49Å; S167-R171 WeakPolarHBondContact O-CB 3.48Å; S167-R171 PolarHBondContact O-N 3.18Å
168M97.7Very high97.6Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-67.4-38.9174.7-67-170.5171.100112.2L123 V164 L165 R171 R172 S173 L176 I217L123-M168 HydrophobicContact CB-CE 4.37Å; L123-M168 HydrophobicContact CD2-CE 3.77Å; L123-M168 HydrophobicContact CG-CE 3.7Å; V164-M168 HydrophobicContact CG2-CE 4.38Å; V164-M168 PolarHBondContact O-N 3.5Å; L165-M168 PolarHBondContact O-N 3.24Å; L165-M168 VanDerWaalsContact O-N 3.09Å; M168-R171 CarbonylContact O-C 3.56Å; M168-R171 PolarHBondContact O-N 3.36Å; M168-R172 WeakPolarHBondContact O-CA 3.35Å; M168-R172 PolarHBondContact O-N 3.31Å; M168-S173 PolarHBondContact O-N 2.9Å; M168-S173 VanDerWaalsContact O-N 3.15Å; M168-L176 HydrophobicContact CE-CD2 3.72Å; M168-L176 HydrophobicContact SD-CD2 3.74Å; M168-L176 HydrophobicContact SD-CG 4.13Å; M168-I217 HydrophobicContact CB-CD1 3.6Å; M168-I217 HydrophobicContact CB-CG1 4.11Å; M168-I217 HydrophobicContact SD-CG2 4.36Å
169V97.7Very high97.6Very high42 Ų4238.3 Ų38.326%0.25521%0.211SC..Hα-helixtrans-66.3-45.2179.2167.60000110.8L165 P166 R171 R172 F215 I217L165-V169 HydrophobicContact CD1-CG2 4.27Å; L165-V169 HydrophobicContact CG-CG2 4.05Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 3.42Å; P166-V169 PolarHBondContact O-N 3.1Å; V169-R171 VanDerWaalsContact C-N 3.31Å; V169-R171 PolarHBondContact O-N 3.2Å; V169-R172 WeakPolarHBondContact O-CG 3.38Å; V169-R172 PolarHBondContact O-N 3.38Å; V169-F215 HydrophobicContact CB-CG 4.48Å; V169-F215 HydrophobicContact CG1-CD1 3.78Å; V169-F215 HydrophobicContact CG1-CD2 4.35Å; V169-F215 HydrophobicContact CG1-CE1 3.98Å; V169-F215 HydrophobicContact CG1-CG 4Å; V169-F215 HydrophobicContact CG1-CZ 4.38Å; V169-F215 HydrophobicContact CG2-CB 4.42Å; V169-F215 HydrophobicContact CG2-CD2 3.93Å; V169-F215 HydrophobicContact CG2-CE2 4.45Å; V169-F215 HydrophobicContact CG2-CG 4.09Å; V169-I217 HydrophobicContact CB-CD1 4.5Å; V169-I217 HydrophobicContact CG2-CD1 3.72Å
170S96.8Very high97.5Very high93 Ų9336 Ų3665%0.6520%0.196SC*.Hα-helixtrans-62.7-38.3178690000112.2P166 S167 R172P166-S170 WeakPolarHBondContact O-CB 3.31Å; P166-S170 PolarHBondContact O-N 3.22Å; P166-S170 PolarHBondContact O-OG 3.08Å; S167-S170 PolarHBondContact O-OG 3.49Å; S170-R172 VanDerWaalsContact C-N 3.31Å
171R96.2Very high97.3Very high95 Ų9536.2 Ų36.236%0.35820%0.198SC..Hα-helixtrans-78.3-11.7174.3-80.7165.542.5122.8-6.9114.4C122 L123 D124 S167 M168 V169 S173C122-R171 PolarHBondContact SG-NH1 2.95Å; L123-R171 PolarHBondContact O-NH2 3.17Å; D124-R171 IonicContact OD1-NH2 2.73Å; D124-R171 PolarHBondContact OD1-NH2 2.93Å; S167-R171 WeakPolarHBondContact O-CB 3.48Å; S167-R171 PolarHBondContact O-N 3.18Å; M168-R171 CarbonylContact O-C 3.56Å; M168-R171 PolarHBondContact O-N 3.36Å; V169-R171 VanDerWaalsContact C-N 3.31Å; V169-R171 PolarHBondContact O-N 3.2Å; R171-S173 PolarHBondContact O-N 3.24Å
172R97.4Very high97.1Very high146 Ų14636.8 Ų36.855%0.55120%0.2SC*.THydrogen-bonded Turntrans48.938.2-172.9-59.3-178.262.177.53.6113.3M168 V169 S170 E214 F215M168-R172 WeakPolarHBondContact O-CA 3.35Å; M168-R172 PolarHBondContact O-N 3.31Å; V169-R172 WeakPolarHBondContact O-CG 3.38Å; V169-R172 PolarHBondContact O-N 3.38Å; S170-R172 VanDerWaalsContact C-N 3.31Å; R172-E214 PolarHBondContact NH2-O 3.27Å; R172-F215 CarbonylContact C-O 3Å; R172-F215 WeakPolarHBondContact CA-O 3.4Å; R172-F215 WeakPolarHBondContact CB-O 3.26Å; R172-F215 VanDerWaalsContact O-O 3.1Å
173S96.3Very high96.8Very high48 Ų4831.4 Ų31.434%0.33618%0.177SC..  trans-159.5134.9-176.2175.90000110.5M168 R171M168-S173 PolarHBondContact O-N 2.9Å; M168-S173 VanDerWaalsContact O-N 3.15Å; R171-S173 PolarHBondContact O-N 3.24Å
174G96.9Very high96.6Very high8 Ų830.4 Ų30.48%0.08217%0.167CC..EExtended strand (participates in β ladder)trans168.1163.6174.600000111.4D124 I217 S218D124-G174 CarbonylContact O-C 3.57Å; D124-G174 WeakPolarHBondContact O-CA 3.44Å; G174-I217 WeakPolarHBondContact O-CA 3.07Å; G174-S218 PolarHBondContact O-N 2.8Å
175H98.2Very high96.5Very high12 Ų1233.5 Ų33.56%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-137.8115.1174.1-156.3153.1000110.6D124 I125 L126 S218 S220 L266D124-H175 PolarHBondContact O-N 2.96Å; I125-H175 CarbonylContact C-O 3.54Å; I125-H175 VanDerWaalsContact CA-O 3.31Å; I125-H175 WeakPolarHBondContact CA-O 2.94Å; I125-H175 HydrophobicContact CG1-CB 4.21Å; L126-H175 PolarHBondContact N-O 2.74Å; H175-S218 CarbonylContact C-O 3.59Å; H175-S218 VanDerWaalsContact CA-O 3.29Å; H175-S218 WeakPolarHBondContact CA-O 3.27Å; H175-S218 PolarHBondContact CD2-O 2.92Å; H175-S218 VanDerWaalsContact CD2-O 3.23Å; H175-S220 PolarHBondContact NE2-OG 3.31Å; H175-L266 HydrophobicContact CB-CD2 4.28Å; H175-L266 WeakPolarHBondContact ND1-CD2 3.45Å
176L98.6Very high96.3Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-96.1121.5172.2-58.1178.6000109L126 F128 V164 L165 M168 F205 L208 S218 V219 S220L126-L176 HydrophobicContact CB-CD2 3.9Å; L126-L176 HydrophobicContact CD2-CD2 4.04Å; L126-L176 HydrophobicContact CG-CD2 4.39Å; F128-L176 HydrophobicContact CE2-CB 4.17Å; F128-L176 HydrophobicContact CE2-CD2 4.07Å; F128-L176 HydrophobicContact CZ-CD2 4.38Å; V164-L176 HydrophobicContact CG2-CD2 4.32Å; L165-L176 HydrophobicContact CD1-CD1 4.46Å; M168-L176 HydrophobicContact CE-CD2 3.72Å; M168-L176 HydrophobicContact SD-CD2 3.74Å; M168-L176 HydrophobicContact SD-CG 4.13Å; L176-F205 HydrophobicContact CB-CE1 4.27Å; L176-L208 HydrophobicContact CD1-CD2 3.57Å; L176-S218 PolarHBondContact N-O 3.3Å; L176-V219 HydrophobicContact CB-CG2 4.33Å; L176-V219 HydrophobicContact CD1-CG2 4.43Å; L176-V219 CarbonylContact O-C 3.42Å; L176-V219 WeakPolarHBondContact O-CA 3.43Å; L176-S220 PolarHBondContact O-N 2.86Å
177L98.5Very high96Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-120.7114.7178.7-170.9150.6000110.4L126 I127 F128 V179 S220 I222 I262 T265 L266L126-L177 PolarHBondContact O-N 3.45Å; I127-L177 CarbonylContact C-O 3.55Å; I127-L177 WeakPolarHBondContact CA-O 3.47Å; I127-L177 HydrophobicContact CG2-CD2 4.22Å; F128-L177 PolarHBondContact N-O 2.88Å; L177-V179 HydrophobicContact CD2-CG2 3.77Å; L177-S220 WeakPolarHBondContact CA-O 3.44Å; L177-I222 HydrophobicContact CD1-CD1 4.21Å; L177-I222 HydrophobicContact CD2-CD1 4.16Å; L177-I222 HydrophobicContact CD2-CG1 4.36Å; L177-I262 HydrophobicContact CD1-CG2 4.04Å; L177-I262 HydrophobicContact CD2-CG1 4.12Å; L177-I262 HydrophobicContact CD2-CG2 4.42Å; L177-T265 HydrophobicContact CD1-CG2 4Å; L177-L266 HydrophobicContact CB-CD2 4.26Å; L177-L266 HydrophobicContact CD1-CD2 3.69Å; L177-L266 HydrophobicContact CD1-CG 3.9Å
178L98.6Very high95.6Very high5 Ų531 Ų313%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-91.2118.7174.1177.770.7000110.4F128 N180 V201 F205 S220 T221 I222F128-L178 HydrophobicContact CB-CD1 3.82Å; L178-N180 HydrophobicContact CD2-CB 3.99Å; L178-N180 HydrophobicContact CG-CB 4.05Å; L178-N180 PolarHBondContact O-N 3.37Å; L178-V201 HydrophobicContact CD1-CG2 3.98Å; L178-V201 HydrophobicContact CD2-CG1 4.18Å; L178-V201 HydrophobicContact CD2-CG2 4.07Å; L178-F205 HydrophobicContact CB-CD1 3.98Å; L178-F205 HydrophobicContact CB-CD2 4.35Å; L178-F205 HydrophobicContact CB-CE1 4.12Å; L178-F205 HydrophobicContact CB-CE2 4.48Å; L178-F205 HydrophobicContact CB-CG 4.1Å; L178-F205 HydrophobicContact CB-CZ 4.37Å; L178-F205 HydrophobicContact CD1-CD2 4.37Å; L178-F205 HydrophobicContact CD1-CE2 4.08Å; L178-F205 HydrophobicContact CD1-CZ 4.4Å; L178-F205 HydrophobicContact CD2-CB 4.19Å; L178-F205 HydrophobicContact CD2-CD2 3.76Å; L178-F205 HydrophobicContact CD2-CE2 4.31Å; L178-F205 HydrophobicContact CD2-CG 3.96Å; L178-F205 HydrophobicContact CG-CD2 4.37Å; L178-S220 PolarHBondContact N-O 2.85Å; L178-T221 HydrophobicContact CB-CG2 4.14Å; L178-T221 HydrophobicContact CD2-CG2 4.15Å; L178-T221 CarbonylContact O-C 3.53Å; L178-T221 WeakPolarHBondContact O-CA 3.45Å; L178-I222 PolarHBondContact O-N 3.42Å
179V97.7Very high95.2Very high5 Ų533.2 Ų33.23%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-85.7105165.6-174.80000107.7L52 I127 F128 N129 L177 I262L52-V179 HydrophobicContact CD2-CG1 3.73Å; I127-V179 HydrophobicContact CG2-CG2 3.94Å; F128-V179 WeakPolarHBondContact O-CB 3.16Å; F128-V179 PolarHBondContact O-N 3.01Å; N129-V179 HydrophobicContact CB-CG2 4.29Å; L177-V179 HydrophobicContact CD2-CG2 3.77Å; V179-I262 HydrophobicContact CG2-CD1 3.9Å
180N96.3Very high94.9Very high1 Ų134.2 Ų34.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-115.9175.4-176-160.112.1000111.8L178 K198 Q202 I222 N223 H224L178-N180 HydrophobicContact CD2-CB 3.99Å; L178-N180 HydrophobicContact CG-CB 4.05Å; L178-N180 PolarHBondContact O-N 3.37Å; N180-K198 PolarHBondContact ND2-O 3.3Å; N180-K198 VanDerWaalsContact OD1-CD 3.27Å; N180-K198 WeakPolarHBondContact OD1-CD 3.4Å; N180-Q202 PolarHBondContact ND2-OE1 3.49Å; N180-I222 CarbonylContact C-O 3.59Å; N180-I222 WeakPolarHBondContact CA-O 3.36Å; N180-I222 PolarHBondContact N-O 3.26Å; N180-N223 WeakPolarHBondContact CB-OD1 3.37Å; N180-N223 PolarHBondContact ND2-OD1 3.01Å; N180-H224 PolarHBondContact O-CD2 2.87Å; N180-H224 PolarHBondContact O-N 2.9Å; N180-H224 PolarHBondContact O-NE2 3.17Å
181S94.3Very high94.7Very high6 Ų631.9 Ų31.94%0.04216%0.159CC..EExtended strand (participates in β ladder)trans-104.4152.7174.7-173.50000110.9Q183 G184 Y194 N223 H224S181-Q183 PolarHBondContact O-N 3.34Å; S181-Q183 PolarHBondContact OG-N 3.31Å; S181-G184 PolarHBondContact O-N 3.32Å; S181-Y194 WeakPolarHBondContact CB-OH 3.3Å; S181-N223 PolarHBondContact O-OD1 3.48Å; S181-H224 CarbonylContact C-O 3.51Å; S181-H224 WeakPolarHBondContact CA-O 3.49Å; S181-H224 PolarHBondContact OG-O 3.25Å
182I93.5Very high94.5Very high12 Ų1231.4 Ų31.46%0.06217%0.167CC..G310 helixtrans-48.6-25.2163.1-164.2168.3000112.8G184 K185 I186 H224 T225 L274 A276 P280 I284I182-G184 PolarHBondContact O-N 3.23Å; I182-K185 PolarHBondContact O-N 3.05Å; I182-I186 HydrophobicContact CD1-CD1 4.21Å; I182-I186 HydrophobicContact CG1-CD1 4.09Å; I182-I186 HydrophobicContact CG1-CG1 4.09Å; I182-I186 WeakPolarHBondContact O-CG1 3.27Å; I182-I186 PolarHBondContact O-N 2.99Å; I182-I186 VanDerWaalsContact O-N 3.14Å; I182-H224 PolarHBondContact N-O 2.93Å; I182-T225 HydrophobicContact CB-CG2 4.45Å; I182-T225 HydrophobicContact CD1-CG2 4.08Å; I182-T225 HydrophobicContact CG2-CG2 4.09Å; I182-L274 HydrophobicContact CD1-CD1 4.21Å; I182-L274 HydrophobicContact CG1-CD1 4.1Å; I182-A276 HydrophobicContact CD1-CB 3.94Å; I182-P280 HydrophobicContact CD1-CB 3.46Å; I182-P280 VanDerWaalsContact CD1-CB 3.46Å; I182-I284 HydrophobicContact CD1-CD1 3.99Å; I182-I284 HydrophobicContact CD1-CG1 4.39Å; I182-I284 HydrophobicContact CG1-CD1 3.93Å; I182-I284 HydrophobicContact CG1-CG1 4.33Å
183Q92.9Very high94.4Very high10 Ų1025.1 Ų25.15%0.04715%0.146CC..G310 helixtrans-70.3-2.1174.4-69-174.372.700115.1S181 K185 I186 V188 Y194 A195 H199S181-Q183 PolarHBondContact O-N 3.34Å; S181-Q183 PolarHBondContact OG-N 3.31Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-I186 CarbonylContact C-O 3.29Å; Q183-I186 WeakPolarHBondContact CA-O 3.47Å; Q183-V188 HydrophobicContact CG-CG2 4.37Å; Q183-Y194 HydrophobicContact CB-CD1 4.26Å; Q183-Y194 HydrophobicContact CB-CE1 3.99Å; Q183-Y194 HydrophobicContact CG-CE1 4.39Å; Q183-A195 HydrophobicContact CB-CB 4.37Å; Q183-H199 PolarHBondContact O-CE1 3.14Å; Q183-H199 PolarHBondContact O-ND1 3.04Å
184G93.8Very high94.4Very high5 Ų523.3 Ų23.35%0.05213%0.132CC..G310 helixtrans-83.5-5.8163.400000113.7S181 I182 K198 H199S181-G184 PolarHBondContact O-N 3.32Å; I182-G184 PolarHBondContact O-N 3.23Å; G184-K198 VanDerWaalsContact CA-C 3.49Å; G184-K198 WeakPolarHBondContact CA-O 3.28Å; G184-H199 PolarHBondContact O-CD2 2.89Å
185K93.9Very high94.3Very high66 Ų6623.1 Ų23.129%0.28713%0.13SC..THydrogen-bonded Turntrans-119.7-25178.4-47.2-160.179157.30113.4I182 Q183 E272 I284I182-K185 PolarHBondContact O-N 3.05Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; K185-E272 WeakPolarHBondContact CE-OE1 3.36Å; K185-E272 IonicContact NZ-OE1 3Å; K185-E272 PolarHBondContact NZ-OE1 3.46Å; K185-E272 IonicContact NZ-OE2 3.34Å; K185-E272 PolarHBondContact NZ-OE2 3.12Å; K185-I284 HydrophobicContact CB-CG2 4.49Å
186I93.1Very high94.3Very high10 Ų1025.1 Ų25.15%0.05115%0.148CC..SBendtrans-135.8145.5176.453.3169.7000110.3I182 Q183 A283 I284 R287I182-I186 HydrophobicContact CD1-CD1 4.21Å; I182-I186 HydrophobicContact CG1-CD1 4.09Å; I182-I186 HydrophobicContact CG1-CG1 4.09Å; I182-I186 WeakPolarHBondContact O-CG1 3.27Å; I182-I186 PolarHBondContact O-N 2.99Å; I182-I186 VanDerWaalsContact O-N 3.14Å; Q183-I186 CarbonylContact C-O 3.29Å; Q183-I186 WeakPolarHBondContact CA-O 3.47Å; I186-A283 HydrophobicContact CD1-CB 4.36Å; I186-I284 HydrophobicContact CD1-CG1 4.45Å; I186-I284 HydrophobicContact CG1-CG1 4.48Å; I186-I284 HydrophobicContact CG2-CB 4.07Å; I186-I284 HydrophobicContact CG2-CG1 3.67Å; I186-I284 HydrophobicContact CG2-CG2 4.49Å; I186-R287 HydrophobicContact CG2-CB 4.33Å
187A91.1Very high94.2Very high41 Ų4125.1 Ų25.134%0.33915%0.148SC..  trans-98.1140.3172.300000110.2A195 M298A187-A195 HydrophobicContact CB-CB 4.31Å; A187-M298 WeakPolarHBondContact O-CE 3.44Å
188V88.4Confident94.2Very high47 Ų4725.3 Ų25.329%0.28515%0.149SC..  trans-123.4151.1175.3-53.20000110.6Q183 R191 M298Q183-V188 HydrophobicContact CG-CG2 4.37Å; V188-R191 HydrophobicContact CG2-CB 3.89Å; V188-R191 HydrophobicContact CG2-CG 3.61Å; V188-R191 PolarHBondContact O-N 2.98Å; V188-M298 VanDerWaalsContact CA-CE 3.49Å; V188-M298 HydrophobicContact CB-CE 3.72Å; V188-M298 HydrophobicContact CG1-CE 3.63Å
189P90Very high94.2Very high45 Ų4527.6 Ų27.629%0.29216%0.16SC..THydrogen-bonded Turntrans-55151.7178.9-26.132.9000113.3R191 M298 V302P189-R191 PolarHBondContact O-N 3.31Å; P189-M298 HydrophobicContact CG-CE 4.46Å; P189-V302 HydrophobicContact CB-CG2 3.41Å; P189-V302 VanDerWaalsContact CB-CG2 3.41Å; P189-V302 HydrophobicContact CG-CG2 3.47Å; P189-V302 VanDerWaalsContact CG-CG2 3.47Å
190F90.7Very high94.2Very high64 Ų6428.7 Ų28.728%0.28117%0.169SC..THydrogen-bonded Turntrans61.716.3179.9-44-71.6000114.8K135 A136 P137 V302K135-F190 CarbonylContact C-O 3.6Å; K135-F190 VanDerWaalsContact CA-O 3.23Å; K135-F190 WeakPolarHBondContact CA-O 3.45Å; K135-F190 HydrophobicContact CG-CB 3.95Å; K135-F190 WeakPolarHBondContact CG-O 3.35Å; A136-F190 PolarHBondContact N-O 3.16Å; A136-F190 CarbonylContact O-C 3.28Å; A136-F190 VanDerWaalsContact O-C 3.28Å; A136-F190 VanDerWaalsContact O-CA 3.24Å; A136-F190 WeakPolarHBondContact O-CA 3.35Å; P137-F190 HydrophobicContact CB-CD1 4.39Å; P137-F190 HydrophobicContact CG-CD1 4.08Å; P137-F190 HydrophobicContact CG-CE1 4.31Å; F190-V302 HydrophobicContact CE2-CG1 4.47Å; F190-V302 HydrophobicContact CE2-CG2 4.18Å; F190-V302 HydrophobicContact CZ-CG1 3.88Å; F190-V302 HydrophobicContact CZ-CG2 4.32Å
191R92.2Very high94.3Very high44 Ų4428.7 Ų28.717%0.16617%0.169CC..  trans-127.324.5178-64.1-68.9-167.9173-0.9111.9V134 V188 P189 A193 Y194 A195V134-R191 WeakPolarHBondContact O-CD 3.41Å; V134-R191 PolarHBondContact O-NH1 3.24Å; V188-R191 HydrophobicContact CG2-CB 3.89Å; V188-R191 HydrophobicContact CG2-CG 3.61Å; V188-R191 PolarHBondContact O-N 2.98Å; P189-R191 PolarHBondContact O-N 3.31Å; R191-A193 PolarHBondContact O-N 3.08Å; R191-Y194 PolarHBondContact O-N 2.84Å; R191-Y194 VanDerWaalsContact O-N 3.16Å; R191-A195 VanDerWaalsContact O-CB 3.31Å; R191-A195 WeakPolarHBondContact O-CB 3.19Å; R191-A195 PolarHBondContact O-N 3.03Å
192T93.2Very high94.5Very high85 Ų8528.7 Ų28.752%0.52117%0.169SC..Hα-helixtrans-50-58-169.7-50.70000112.7A138 A196A138-T192 HydrophobicContact CB-CG2 4.39Å; T192-A196 VanDerWaalsContact O-CB 3.28Å; T192-A196 WeakPolarHBondContact O-CB 3.46Å; T192-A196 PolarHBondContact O-N 3Å
193A95.1Very high94.8Very high14 Ų1430.6 Ų30.612%0.11619%0.186CC..Hα-helixtrans-68.4-39.4-179.600000112.7L141 D146 L149 R191 A196 S197L141-A193 HydrophobicContact CD2-CB 3.63Å; D146-A193 WeakPolarHBondContact OD1-CB 3.42Å; L149-A193 HydrophobicContact CD2-CB 3.47Å; L149-A193 VanDerWaalsContact CD2-CB 3.47Å; R191-A193 PolarHBondContact O-N 3.08Å; A193-A196 PolarHBondContact O-N 2.99Å; A193-S197 PolarHBondContact O-N 2.83Å; A193-S197 PolarHBondContact O-OG 2.99Å
194Y95.3Very high95Very high9 Ų932 Ų324%0.03519%0.192CC..Hα-helixtrans-63.9-51.8179.3178.2-100.9000111.7M132 K133 L149 S181 Q183 R191 A196 S197 K198M132-Y194 VanDerWaalsContact O-CD2 3.23Å; M132-Y194 WeakPolarHBondContact O-CD2 3.38Å; M132-Y194 VanDerWaalsContact O-CE2 3.25Å; M132-Y194 WeakPolarHBondContact O-CE2 3.34Å; K133-Y194 HydrophobicContact CB-CE2 4.33Å; K133-Y194 HydrophobicContact CG-CE2 3.82Å; L149-Y194 VanDerWaalsContact CD2-N 3.33Å; S181-Y194 WeakPolarHBondContact CB-OH 3.3Å; Q183-Y194 HydrophobicContact CB-CD1 4.26Å; Q183-Y194 HydrophobicContact CB-CE1 3.99Å; Q183-Y194 HydrophobicContact CG-CE1 4.39Å; R191-Y194 PolarHBondContact O-N 2.84Å; R191-Y194 VanDerWaalsContact O-N 3.16Å; Y194-A196 VanDerWaalsContact C-N 3.32Å; Y194-A196 PolarHBondContact O-N 3.04Å; Y194-S197 PolarHBondContact O-N 2.82Å; Y194-S197 PolarHBondContact O-OG 3.37Å; Y194-K198 HydrophobicContact CD1-CG 4.44Å; Y194-K198 HydrophobicContact CD2-CG 4.48Å; Y194-K198 HydrophobicContact CE1-CG 3.98Å; Y194-K198 HydrophobicContact CE2-CD 4.38Å; Y194-K198 HydrophobicContact CE2-CG 4.04Å; Y194-K198 WeakPolarHBondContact O-CG 3.49Å; Y194-K198 PolarHBondContact O-N 3.47Å
195A95.5Very high95.3Very high4 Ų431.7 Ų31.73%0.03319%0.19CC..Hα-helixtrans-61.5-41.1177.300000111.2Q183 A187 R191 S197 K198 H199Q183-A195 HydrophobicContact CB-CB 4.37Å; A187-A195 HydrophobicContact CB-CB 4.31Å; R191-A195 VanDerWaalsContact O-CB 3.31Å; R191-A195 WeakPolarHBondContact O-CB 3.19Å; R191-A195 PolarHBondContact O-N 3.03Å; A195-S197 PolarHBondContact O-N 3.33Å; A195-K198 PolarHBondContact O-N 2.9Å; A195-H199 PolarHBondContact O-N 2.98Å; A195-H199 PolarHBondContact O-ND1 3.41Å
196A97.1Very high95.5Very high54 Ų5431.3 Ų31.345%0.44619%0.191SC..Hα-helixtrans-56.9-50.5174.400000111.6T192 A193 Y194 K198 H199 A200T192-A196 VanDerWaalsContact O-CB 3.28Å; T192-A196 WeakPolarHBondContact O-CB 3.46Å; T192-A196 PolarHBondContact O-N 3Å; A193-A196 PolarHBondContact O-N 2.99Å; Y194-A196 VanDerWaalsContact C-N 3.32Å; Y194-A196 PolarHBondContact O-N 3.04Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.8Å; A196-H199 PolarHBondContact O-N 3.38Å; A196-A200 PolarHBondContact O-N 3.04Å
197S98Very high95.7Very high0 Ų034.4 Ų34.40%021%0.212CC..Hα-helixtrans-61.1-38.8178.173.80000112.9N153 A193 Y194 A195 A200 V201N153-S197 WeakPolarHBondContact CB-OG 3.41Å; N153-S197 PolarHBondContact ND2-OG 3.08Å; A193-S197 PolarHBondContact O-N 2.83Å; A193-S197 PolarHBondContact O-OG 2.99Å; Y194-S197 PolarHBondContact O-N 2.82Å; Y194-S197 PolarHBondContact O-OG 3.37Å; A195-S197 PolarHBondContact O-N 3.33Å; S197-A200 PolarHBondContact O-N 3.44Å; S197-V201 PolarHBondContact O-N 3.44Å
198K97.6Very high96.1Very high4 Ų432.7 Ų32.72%0.01720%0.197CC..Hα-helixtrans-72.9-30.5178.7-67.4-42-160.7170.20113.6S131 N153 N180 G184 Y194 A195 A196 V201 Q202S131-K198 WeakPolarHBondContact OG-CE 3.4Å; S131-K198 PolarHBondContact OG-NZ 2.55Å; N153-K198 HydrophobicContact CB-CD 4.34Å; N180-K198 PolarHBondContact ND2-O 3.3Å; N180-K198 VanDerWaalsContact OD1-CD 3.27Å; N180-K198 WeakPolarHBondContact OD1-CD 3.4Å; G184-K198 VanDerWaalsContact CA-C 3.49Å; G184-K198 WeakPolarHBondContact CA-O 3.28Å; Y194-K198 HydrophobicContact CD1-CG 4.44Å; Y194-K198 HydrophobicContact CD2-CG 4.48Å; Y194-K198 HydrophobicContact CE1-CG 3.98Å; Y194-K198 HydrophobicContact CE2-CD 4.38Å; Y194-K198 HydrophobicContact CE2-CG 4.04Å; Y194-K198 WeakPolarHBondContact O-CG 3.49Å; Y194-K198 PolarHBondContact O-N 3.47Å; A195-K198 PolarHBondContact O-N 2.9Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.8Å; K198-V201 HydrophobicContact CD-CG1 4.29Å; K198-Q202 VanDerWaalsContact O-CB 3.27Å; K198-Q202 WeakPolarHBondContact O-CB 3.27Å; K198-Q202 PolarHBondContact O-N 2.95Å; K198-Q202 VanDerWaalsContact O-N 3.16Å
199H98.1Very high96.5Very high54 Ų5432.2 Ų32.225%0.2519%0.19CC..Hα-helixtrans-70.1-41.9169.9-76.874.8000110.8Q183 G184 A195 A196 Q202 A203Q183-H199 PolarHBondContact O-CE1 3.14Å; Q183-H199 PolarHBondContact O-ND1 3.04Å; G184-H199 PolarHBondContact O-CD2 2.89Å; A195-H199 PolarHBondContact O-N 2.98Å; A195-H199 PolarHBondContact O-ND1 3.41Å; A196-H199 PolarHBondContact O-N 3.38Å; H199-Q202 PolarHBondContact O-N 2.85Å; H199-A203 WeakPolarHBondContact O-CB 3.47Å; H199-A203 PolarHBondContact O-N 2.84Å
200A98.5Very high96.9Very high28 Ų2833.4 Ų33.423%0.23120%0.204CC..Hα-helixtrans-60.3-49.4179.700000111.9M150 Y154 A196 S197 A203 F204M150-A200 HydrophobicContact CE-CB 4.21Å; Y154-A200 HydrophobicContact CD2-CB 3.82Å; Y154-A200 HydrophobicContact CE2-CB 4.08Å; Y154-A200 HydrophobicContact CG-CB 4.11Å; A196-A200 PolarHBondContact O-N 3.04Å; S197-A200 PolarHBondContact O-N 3.44Å; A200-A203 PolarHBondContact O-N 3Å; A200-F204 PolarHBondContact O-N 2.95Å; A200-F204 VanDerWaalsContact O-N 3.07Å
201V98.6Very high97.3Very high0 Ų036 Ų360%022%0.217CC..Hα-helixtrans-68.3-37.1178.1720000112.2N153 Y154 P157 L178 S197 K198 A203 F204 F205N153-V201 WeakPolarHBondContact O-CB 3.2Å; Y154-V201 HydrophobicContact CD2-CB 4Å; P157-V201 HydrophobicContact CB-CG2 4.32Å; L178-V201 HydrophobicContact CD1-CG2 3.98Å; L178-V201 HydrophobicContact CD2-CG1 4.18Å; L178-V201 HydrophobicContact CD2-CG2 4.07Å; S197-V201 PolarHBondContact O-N 3.44Å; K198-V201 HydrophobicContact CD-CG1 4.29Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 PolarHBondContact O-N 3.33Å; V201-F204 PolarHBondContact O-N 3.36Å; V201-F205 HydrophobicContact CG2-CD2 3.77Å; V201-F205 HydrophobicContact CG2-CE2 3.7Å; V201-F205 WeakPolarHBondContact O-CD2 3.49Å; V201-F205 PolarHBondContact O-N 3.36Å
202Q98.4Very high97.6Very high7 Ų734.1 Ų34.13%0.03321%0.21CC..Hα-helixtrans-56.8-49.9173.3-17764.947.100110.9N180 K198 H199 F204 F205 D206 T221 N223N180-Q202 PolarHBondContact ND2-OE1 3.49Å; K198-Q202 VanDerWaalsContact O-CB 3.27Å; K198-Q202 WeakPolarHBondContact O-CB 3.27Å; K198-Q202 PolarHBondContact O-N 2.95Å; K198-Q202 VanDerWaalsContact O-N 3.16Å; H199-Q202 PolarHBondContact O-N 2.85Å; Q202-F204 VanDerWaalsContact C-N 3.34Å; Q202-F204 PolarHBondContact O-N 2.82Å; Q202-F205 PolarHBondContact O-N 2.96Å; Q202-D206 PolarHBondContact NE2-OD1 2.92Å; Q202-D206 VanDerWaalsContact NE2-OD1 3.09Å; Q202-D206 PolarHBondContact NE2-OD2 3.14Å; Q202-D206 WeakPolarHBondContact O-CB 3.36Å; Q202-D206 VanDerWaalsContact O-CG 3.24Å; Q202-D206 PolarHBondContact O-N 2.65Å; Q202-T221 PolarHBondContact NE2-OG1 3.07Å; Q202-N223 PolarHBondContact OE1-ND2 2.89Å; Q202-N223 PolarHBondContact OE1-OD1 3.27Å
203A98.5Very high97.7Very high52 Ų5235.4 Ų35.443%0.4321%0.211SC..Hα-helixtrans-60.6-42.6-179.800000112H199 A200 V201 F205 D206 C207H199-A203 WeakPolarHBondContact O-CB 3.47Å; H199-A203 PolarHBondContact O-N 2.84Å; A200-A203 PolarHBondContact O-N 3Å; V201-A203 VanDerWaalsContact C-N 3.34Å; V201-A203 PolarHBondContact O-N 3.33Å; A203-F205 PolarHBondContact O-N 3.31Å; A203-D206 PolarHBondContact O-N 2.97Å; A203-C207 PolarHBondContact O-N 2.94Å; A203-C207 PolarHBondContact O-SG 2.94Å; A203-C207 VanDerWaalsContact O-SG 3.4Å
204F98.8Very high97.8Very high38 Ų3841.1 Ų41.117%0.16724%0.235CC..Hα-helixtrans-58.7-48.6175.6175.9-90.5000112.2Y154 I158 A161 K162 A200 V201 Q202 D206 C207 L208Y154-F204 HydrophobicContact CE2-CB 3.97Å; I158-F204 HydrophobicContact CB-CD1 4.12Å; I158-F204 HydrophobicContact CB-CD2 4.24Å; I158-F204 HydrophobicContact CB-CE1 3.83Å; I158-F204 HydrophobicContact CB-CE2 3.99Å; I158-F204 HydrophobicContact CB-CG 4.31Å; I158-F204 HydrophobicContact CB-CZ 3.77Å; I158-F204 HydrophobicContact CG2-CB 4.08Å; I158-F204 HydrophobicContact CG2-CD1 3.36Å; I158-F204 HydrophobicContact CG2-CD2 3.78Å; I158-F204 HydrophobicContact CG2-CE1 3.61Å; I158-F204 HydrophobicContact CG2-CE2 4.03Å; I158-F204 HydrophobicContact CG2-CG 3.45Å; I158-F204 VanDerWaalsContact CG2-CG 3.45Å; I158-F204 HydrophobicContact CG2-CZ 3.95Å; A161-F204 HydrophobicContact CB-CE1 4.21Å; K162-F204 HydrophobicContact CG-CZ 4.34Å; A200-F204 PolarHBondContact O-N 2.95Å; A200-F204 VanDerWaalsContact O-N 3.07Å; V201-F204 PolarHBondContact O-N 3.36Å; Q202-F204 VanDerWaalsContact C-N 3.34Å; Q202-F204 PolarHBondContact O-N 2.82Å; F204-D206 VanDerWaalsContact C-N 3.28Å; F204-D206 PolarHBondContact O-N 3.1Å; F204-C207 PolarHBondContact O-N 2.88Å; F204-L208 HydrophobicContact CE1-CD2 3.95Å; F204-L208 VanDerWaalsContact O-CB 3.31Å; F204-L208 WeakPolarHBondContact O-CB 3Å; F204-L208 PolarHBondContact O-N 3.16Å
205F98.6Very high97.9Very high0 Ų043.2 Ų43.20%024%0.244CC..Hα-helixtrans-70-26.1179.6-83.2-97.9000112.7F128 A161 L176 L178 V201 Q202 A203 R209 V219 T221F128-F205 HydrophobicContact CD1-CZ 4.27Å; F128-F205 AromaticContact CD2-CE1 3.69Å; F128-F205 HydrophobicContact CD2-CE1 3.69Å; F128-F205 AromaticContact CD2-CZ 3.52Å; F128-F205 HydrophobicContact CD2-CZ 3.52Å; F128-F205 HydrophobicContact CE1-CZ 4.2Å; F128-F205 AromaticContact CE2-CE1 3.53Å; F128-F205 HydrophobicContact CE2-CE1 3.53Å; F128-F205 AromaticContact CE2-CZ 3.46Å; F128-F205 HydrophobicContact CE2-CZ 3.46Å; F128-F205 VanDerWaalsContact CE2-CZ 3.46Å; F128-F205 AromaticContact CG-CZ 3.93Å; F128-F205 HydrophobicContact CG-CZ 3.93Å; F128-F205 HydrophobicContact CZ-CE1 4.23Å; F128-F205 AromaticContact CZ-CZ 3.8Å; F128-F205 HydrophobicContact CZ-CZ 3.8Å; A161-F205 HydrophobicContact CB-CZ 4.42Å; L176-F205 HydrophobicContact CB-CE1 4.27Å; L178-F205 HydrophobicContact CB-CD1 3.98Å; L178-F205 HydrophobicContact CB-CD2 4.35Å; L178-F205 HydrophobicContact CB-CE1 4.12Å; L178-F205 HydrophobicContact CB-CE2 4.48Å; L178-F205 HydrophobicContact CB-CG 4.1Å; L178-F205 HydrophobicContact CB-CZ 4.37Å; L178-F205 HydrophobicContact CD1-CD2 4.37Å; L178-F205 HydrophobicContact CD1-CE2 4.08Å; L178-F205 HydrophobicContact CD1-CZ 4.4Å; L178-F205 HydrophobicContact CD2-CB 4.19Å; L178-F205 HydrophobicContact CD2-CD2 3.76Å; L178-F205 HydrophobicContact CD2-CE2 4.31Å; L178-F205 HydrophobicContact CD2-CG 3.96Å; L178-F205 HydrophobicContact CG-CD2 4.37Å; V201-F205 HydrophobicContact CG2-CD2 3.77Å; V201-F205 HydrophobicContact CG2-CE2 3.7Å; V201-F205 WeakPolarHBondContact O-CD2 3.49Å; V201-F205 PolarHBondContact O-N 3.36Å; Q202-F205 PolarHBondContact O-N 2.96Å; A203-F205 PolarHBondContact O-N 3.31Å; F205-R209 WeakPolarHBondContact O-CB 3.43Å; F205-R209 PolarHBondContact O-N 3.26Å; F205-R209 VanDerWaalsContact O-N 3.08Å; F205-V219 HydrophobicContact CB-CG1 4.28Å; F205-V219 HydrophobicContact CD1-CG1 3.69Å; F205-V219 HydrophobicContact CG-CG1 4.47Å; F205-T221 HydrophobicContact CB-CG2 3.98Å
206D98.2Very high98Very high58 Ų5845 Ų4531%0.3126%0.264SS..Hα-helixtrans-70.7-41.3173.5-71.9-24.4000112.3Q202 A203 F204 R209Q202-D206 PolarHBondContact NE2-OD1 2.92Å; Q202-D206 VanDerWaalsContact NE2-OD1 3.09Å; Q202-D206 PolarHBondContact NE2-OD2 3.14Å; Q202-D206 WeakPolarHBondContact O-CB 3.36Å; Q202-D206 VanDerWaalsContact O-CG 3.24Å; Q202-D206 PolarHBondContact O-N 2.65Å; A203-D206 PolarHBondContact O-N 2.97Å; F204-D206 VanDerWaalsContact C-N 3.28Å; F204-D206 PolarHBondContact O-N 3.1Å; D206-R209 IonicContact OD1-CZ 3.64Å; D206-R209 IonicContact OD1-NH1 2.6Å; D206-R209 PolarHBondContact OD1-NH1 3.28Å; D206-R209 IonicContact OD1-NH2 2.97Å; D206-R209 PolarHBondContact OD1-NH2 3.06Å
207C98.5Very high98Very high74 Ų7442.8 Ų42.850%0.524%0.244SC..Hα-helixtrans-64.4-51.7170.6-65.50000111.2A203 F204 R209 A210 E211A203-C207 PolarHBondContact O-N 2.94Å; A203-C207 PolarHBondContact O-SG 2.94Å; A203-C207 VanDerWaalsContact O-SG 3.4Å; F204-C207 PolarHBondContact O-N 2.88Å; C207-R209 PolarHBondContact O-N 2.77Å; C207-R209 VanDerWaalsContact O-N 3.12Å; C207-A210 PolarHBondContact O-N 3.2Å; C207-E211 PolarHBondContact O-N 3.36Å; C207-E211 VanDerWaalsContact O-N 3.16Å
208L98.6Very high98Very high6 Ų643.8 Ų43.83%0.03125%0.251CS..Hα-helixtrans-54.3-38.9-177.8-176.765.4000111.6L165 L176 F204 A210 E211 V212 V219L165-L208 HydrophobicContact CD2-CD1 3.87Å; L176-L208 HydrophobicContact CD1-CD2 3.57Å; F204-L208 HydrophobicContact CE1-CD2 3.95Å; F204-L208 VanDerWaalsContact O-CB 3.31Å; F204-L208 WeakPolarHBondContact O-CB 3Å; F204-L208 PolarHBondContact O-N 3.16Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.01Å; L208-E211 PolarHBondContact O-N 2.98Å; L208-V212 HydrophobicContact CD1-CG1 3.54Å; L208-V212 HydrophobicContact CG-CG1 4.09Å; L208-V212 WeakPolarHBondContact O-CG1 3.42Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.42Å; L208-V212 PolarHBondContact O-N 3.11Å; L208-V219 HydrophobicContact CD2-CG2 4.48Å; L208-V219 HydrophobicContact CG-CG2 4.3Å
209R97.9Very high98.1Very high36 Ų3643.9 Ų43.914%0.13625%0.252CS..Hα-helixtrans-54.8-42.5177.4-173.9-178.2-55.61072.5113.2F205 D206 C207 V219 T221 K271F205-R209 WeakPolarHBondContact O-CB 3.43Å; F205-R209 PolarHBondContact O-N 3.26Å; F205-R209 VanDerWaalsContact O-N 3.08Å; D206-R209 IonicContact OD1-CZ 3.64Å; D206-R209 IonicContact OD1-NH1 2.6Å; D206-R209 PolarHBondContact OD1-NH1 3.28Å; D206-R209 IonicContact OD1-NH2 2.97Å; D206-R209 PolarHBondContact OD1-NH2 3.06Å; C207-R209 PolarHBondContact O-N 2.77Å; C207-R209 VanDerWaalsContact O-N 3.12Å; R209-V219 HydrophobicContact CB-CB 3.79Å; R209-V219 HydrophobicContact CB-CG1 4.23Å; R209-V219 HydrophobicContact CB-CG2 4.38Å; R209-V219 HydrophobicContact CG-CB 4Å; R209-V219 PolarHBondContact NE-O 2.91Å; R209-T221 PolarHBondContact NH2-OG1 3.46Å; R209-K271 PolarHBondContact NH2-O 2.9Å
210A97.9Very high98.1Very high70 Ų7041.3 Ų41.358%0.57924%0.24SC*.Hα-helixtrans-74.7-41179.300000111C207 L208 V212C207-A210 PolarHBondContact O-N 3.2Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.01Å; A210-V212 VanDerWaalsContact C-N 3.29Å; A210-V212 PolarHBondContact O-N 3.31Å
211E98.3Very high98.1Very high120 Ų12040 Ų4056%0.56123%0.229SC*.Hα-helixtrans-62.3-33.6-179.3-67.1171.4-161.700112.9C207 L208C207-E211 PolarHBondContact O-N 3.36Å; C207-E211 VanDerWaalsContact O-N 3.16Å; L208-E211 PolarHBondContact O-N 2.98Å
212V98.3Very high98Very high3 Ų340 Ų402%0.01823%0.229CC..THydrogen-bonded Turntrans-101.8-3.3-172.8-51.20000114.9L165 L208 A210 E214 F215 I217 V219L165-V212 HydrophobicContact CD1-CG1 3.82Å; L165-V212 HydrophobicContact CD2-CG1 4.21Å; L208-V212 HydrophobicContact CD1-CG1 3.54Å; L208-V212 HydrophobicContact CG-CG1 4.09Å; L208-V212 WeakPolarHBondContact O-CG1 3.42Å; L208-V212 VanDerWaalsContact O-CG2 3.27Å; L208-V212 WeakPolarHBondContact O-CG2 3.42Å; L208-V212 PolarHBondContact O-N 3.11Å; A210-V212 VanDerWaalsContact C-N 3.29Å; A210-V212 PolarHBondContact O-N 3.31Å; V212-E214 VanDerWaalsContact C-N 3.26Å; V212-E214 PolarHBondContact O-N 2.95Å; V212-F215 HydrophobicContact CB-CD2 4.44Å; V212-F215 PolarHBondContact O-N 3.27Å; V212-I217 HydrophobicContact CB-CB 3.95Å; V212-I217 HydrophobicContact CB-CD1 4.23Å; V212-I217 HydrophobicContact CB-CG2 4.31Å; V212-I217 HydrophobicContact CG2-CB 3.73Å; V212-I217 HydrophobicContact CG2-CG2 3.77Å; V212-I217 PolarHBondContact O-N 3.04Å; V212-V219 HydrophobicContact CG2-CG2 3.57Å
213E96.3Very high97.9Very high113 Ų11339.7 Ų39.753%0.52823%0.228SC..G310 helixtrans-59.8-38.5-178.1-171.8163.2-135.900111.1F215 G216 K271E213-F215 PolarHBondContact O-N 3.05Å; E213-G216 PolarHBondContact O-N 3.21Å; E213-K271 IonicContact OE1-NZ 2.86Å; E213-K271 PolarHBondContact OE1-NZ 3.17Å
214E97Very high97.6Very high134 Ų13437.9 Ų37.963%0.62621%0.21SC*.G310 helixtrans-64.3-21.7177.270168.3119.300113.6R172 V212R172-E214 PolarHBondContact NH2-O 3.27Å; V212-E214 VanDerWaalsContact C-N 3.26Å; V212-E214 PolarHBondContact O-N 2.95Å
215F97.9Very high97.1Very high52 Ų5236.6 Ų36.623%0.22821%0.206CC..G310 helixtrans-935.8177.6-53.2-65.2000112.5V169 R172 V212 E213 I217V169-F215 HydrophobicContact CB-CG 4.48Å; V169-F215 HydrophobicContact CG1-CD1 3.78Å; V169-F215 HydrophobicContact CG1-CD2 4.35Å; V169-F215 HydrophobicContact CG1-CE1 3.98Å; V169-F215 HydrophobicContact CG1-CG 4Å; V169-F215 HydrophobicContact CG1-CZ 4.38Å; V169-F215 HydrophobicContact CG2-CB 4.42Å; V169-F215 HydrophobicContact CG2-CD2 3.93Å; V169-F215 HydrophobicContact CG2-CE2 4.45Å; V169-F215 HydrophobicContact CG2-CG 4.09Å; R172-F215 CarbonylContact C-O 3Å; R172-F215 WeakPolarHBondContact CA-O 3.4Å; R172-F215 WeakPolarHBondContact CB-O 3.26Å; R172-F215 VanDerWaalsContact O-O 3.1Å; V212-F215 HydrophobicContact CB-CD2 4.44Å; V212-F215 PolarHBondContact O-N 3.27Å; E213-F215 PolarHBondContact O-N 3.05Å; F215-I217 HydrophobicContact CB-CD1 3.98Å; F215-I217 HydrophobicContact CB-CG1 4.18Å; F215-I217 PolarHBondContact O-N 3.2Å
216G96.6Very high96.2Very high43 Ų4343.1 Ų43.144%0.44323%0.234SC..THydrogen-bonded Turntrans71.313.4-178.900000114.1E213E213-G216 PolarHBondContact O-N 3.21Å
217I98.3Very high95Very high6 Ų642 Ų423%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-87.3132.2177.7-59.3167000108.4L165 M168 V169 G174 V212 F215L165-I217 HydrophobicContact CD1-CD1 3.97Å; M168-I217 HydrophobicContact CB-CD1 3.6Å; M168-I217 HydrophobicContact CB-CG1 4.11Å; M168-I217 HydrophobicContact SD-CG2 4.36Å; V169-I217 HydrophobicContact CB-CD1 4.5Å; V169-I217 HydrophobicContact CG2-CD1 3.72Å; G174-I217 WeakPolarHBondContact O-CA 3.07Å; V212-I217 HydrophobicContact CB-CB 3.95Å; V212-I217 HydrophobicContact CB-CD1 4.23Å; V212-I217 HydrophobicContact CB-CG2 4.31Å; V212-I217 HydrophobicContact CG2-CB 3.73Å; V212-I217 HydrophobicContact CG2-CG2 3.77Å; V212-I217 PolarHBondContact O-N 3.04Å; F215-I217 HydrophobicContact CB-CD1 3.98Å; F215-I217 HydrophobicContact CB-CG1 4.18Å; F215-I217 PolarHBondContact O-N 3.2Å
218S98.3Very high93.5Very high22 Ų2240.6 Ų40.615%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-96.2138.1177.5-60.40000110.6G174 H175 L176G174-S218 PolarHBondContact O-N 2.8Å; H175-S218 CarbonylContact C-O 3.59Å; H175-S218 VanDerWaalsContact CA-O 3.29Å; H175-S218 WeakPolarHBondContact CA-O 3.27Å; H175-S218 PolarHBondContact CD2-O 2.92Å; H175-S218 VanDerWaalsContact CD2-O 3.23Å; L176-S218 PolarHBondContact N-O 3.3Å
219V98.6Very high91.2Very high5 Ų545.2 Ų45.23%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-124.9118.9174.1-175.50000109.5L176 F205 L208 R209 V212L176-V219 HydrophobicContact CB-CG2 4.33Å; L176-V219 HydrophobicContact CD1-CG2 4.43Å; L176-V219 CarbonylContact O-C 3.42Å; L176-V219 WeakPolarHBondContact O-CA 3.43Å; F205-V219 HydrophobicContact CB-CG1 4.28Å; F205-V219 HydrophobicContact CD1-CG1 3.69Å; F205-V219 HydrophobicContact CG-CG1 4.47Å; L208-V219 HydrophobicContact CD2-CG2 4.48Å; L208-V219 HydrophobicContact CG-CG2 4.3Å; R209-V219 HydrophobicContact CB-CB 3.79Å; R209-V219 HydrophobicContact CB-CG1 4.23Å; R209-V219 HydrophobicContact CB-CG2 4.38Å; R209-V219 HydrophobicContact CG-CB 4Å; R209-V219 PolarHBondContact NE-O 2.91Å; V212-V219 HydrophobicContact CG2-CG2 3.57Å
220S98.4Very high88.4Confident1 Ų147.6 Ų47.61%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-117144.4-178.9-69.40000111H175 L176 L177 L178 R270 K271H175-S220 PolarHBondContact NE2-OG 3.31Å; L176-S220 PolarHBondContact O-N 2.86Å; L177-S220 WeakPolarHBondContact CA-O 3.44Å; L178-S220 PolarHBondContact N-O 2.85Å; S220-R270 VanDerWaalsContact CB-O 3.3Å; S220-R270 WeakPolarHBondContact CB-O 3.46Å; S220-R270 PolarHBondContact OG-O 2.77Å; S220-K271 WeakPolarHBondContact CA-O 3.21Å
221T98.2Very high85.6Confident0 Ų048.6 Ų48.60%028%0.281CS..EExtended strand (participates in β ladder)trans-124.7133.9171.957.50000109.3L178 Q202 F205 R209 K271 E272 V273L178-T221 HydrophobicContact CB-CG2 4.14Å; L178-T221 HydrophobicContact CD2-CG2 4.15Å; L178-T221 CarbonylContact O-C 3.53Å; L178-T221 WeakPolarHBondContact O-CA 3.45Å; Q202-T221 PolarHBondContact NE2-OG1 3.07Å; F205-T221 HydrophobicContact CB-CG2 3.98Å; R209-T221 PolarHBondContact NH2-OG1 3.46Å; T221-K271 PolarHBondContact N-O 2.94Å; T221-E272 CarbonylContact O-C 3.11Å; T221-E272 WeakPolarHBondContact O-CA 3.12Å; T221-E272 WeakPolarHBondContact OG1-CG 3.3Å; T221-V273 PolarHBondContact O-N 2.67Å
222I97.3Very high82.4Confident0 Ų047.4 Ų47.40%029%0.292CS..EExtended strand (participates in β ladder)trans-116.5110.1173.9-60.7-173.1000107.7L177 L178 N180 I262 T265 V273 I275L177-I222 HydrophobicContact CD1-CD1 4.21Å; L177-I222 HydrophobicContact CD2-CD1 4.16Å; L177-I222 HydrophobicContact CD2-CG1 4.36Å; L178-I222 PolarHBondContact O-N 3.42Å; N180-I222 CarbonylContact C-O 3.59Å; N180-I222 WeakPolarHBondContact CA-O 3.36Å; N180-I222 PolarHBondContact N-O 3.26Å; I222-I262 HydrophobicContact CD1-CB 4.27Å; I222-I262 HydrophobicContact CD1-CG1 3.56Å; I222-T265 HydrophobicContact CD1-CG2 4.3Å; I222-T265 HydrophobicContact CG1-CG2 4.33Å; I222-V273 CarbonylContact C-O 3.57Å; I222-V273 WeakPolarHBondContact CA-O 3.3Å; I222-V273 HydrophobicContact CG1-CB 4.28Å; I222-I275 HydrophobicContact CG2-CD1 3.62Å; I222-I275 HydrophobicContact CG2-CG1 4.03Å
223N95.6Very high79.2Confident0 Ų053 Ų530%033%0.326CS..EExtended strand (participates in β ladder)trans-96.1108.5178.3-76.2-66000109.2N180 S181 Q202 E272 V273 L274 I275N180-N223 WeakPolarHBondContact CB-OD1 3.37Å; N180-N223 PolarHBondContact ND2-OD1 3.01Å; S181-N223 PolarHBondContact O-OD1 3.48Å; Q202-N223 PolarHBondContact OE1-ND2 2.89Å; Q202-N223 PolarHBondContact OE1-OD1 3.27Å; N223-E272 PolarHBondContact ND2-OE1 2.96Å; N223-V273 PolarHBondContact N-O 2.65Å; N223-L274 HydrophobicContact CB-CD1 3.9Å; N223-L274 CarbonylContact O-C 3.04Å; N223-L274 WeakPolarHBondContact O-CA 3.37Å; N223-L274 WeakPolarHBondContact O-CD1 3.28Å; N223-I275 PolarHBondContact O-N 3.25Å
224H92.6Very high76.2Confident15 Ų1553.2 Ų53.27%0.06934%0.337CS..EExtended strand (participates in β ladder)trans-111.1158.7-179.267.473000113.2N180 S181 I182 I227 I275N180-H224 PolarHBondContact O-CD2 2.87Å; N180-H224 PolarHBondContact O-N 2.9Å; N180-H224 PolarHBondContact O-NE2 3.17Å; S181-H224 CarbonylContact C-O 3.51Å; S181-H224 WeakPolarHBondContact CA-O 3.49Å; S181-H224 PolarHBondContact OG-O 3.25Å; I182-H224 PolarHBondContact N-O 2.93Å; H224-I227 VanDerWaalsContact CE1-CD1 3.42Å; H224-I227 WeakPolarHBondContact CE1-CD1 3.46Å; H224-I275 CarbonylContact C-O 3.58Å; H224-I275 VanDerWaalsContact CA-O 3.31Å; H224-I275 WeakPolarHBondContact CA-O 3.05Å; H224-I275 HydrophobicContact CB-CB 4.24Å
225T86.9Confident73.2Confident11 Ų1151.6 Ų51.67%0.06735%0.346CS..  trans-77.9-149.1169.548.60000111.5I182 I275 A276 P280I182-T225 HydrophobicContact CB-CG2 4.45Å; I182-T225 HydrophobicContact CD1-CG2 4.08Å; I182-T225 HydrophobicContact CG2-CG2 4.09Å; T225-I275 PolarHBondContact N-O 3.38Å; T225-A276 HydrophobicContact CG2-CB 3.46Å; T225-A276 VanDerWaalsContact CG2-CB 3.46Å; T225-P280 HydrophobicContact CG2-CB 4.18Å; T225-P280 HydrophobicContact CG2-CG 4.25Å
226F80.2Confident70.1Confident137 Ų13753.4 Ų53.460%0.60137%0.371SS*.  trans-66.6140.2174.6-62.1-79.9000110.2G252 V253F226-G252 CarbonylContact O-C 3.54Å; F226-G252 WeakPolarHBondContact O-CA 3.24Å; F226-V253 PolarHBondContact O-N 2.74Å
227I72.6Confident67.3Low33 Ų3357.3 Ų57.317%0.16939%0.391CS..BIsolated β-bridgetrans-94.2123.6168.6-62.9174.2000107.1L52 H224 C229 V253 P255 V258L52-I227 HydrophobicContact CB-CD1 4.35Å; L52-I227 HydrophobicContact CD2-CD1 3.79Å; H224-I227 VanDerWaalsContact CE1-CD1 3.42Å; H224-I227 WeakPolarHBondContact CE1-CD1 3.46Å; I227-C229 PolarHBondContact O-N 2.74Å; I227-C229 VanDerWaalsContact O-N 3.13Å; I227-V253 VanDerWaalsContact CA-O 3.27Å; I227-V253 WeakPolarHBondContact CA-O 3.47Å; I227-P255 HydrophobicContact CG2-CB 4.5Å; I227-P255 HydrophobicContact CG2-CG 3.7Å; I227-V258 HydrophobicContact CD1-CG2 4.46Å; I227-V258 HydrophobicContact CG1-CG2 4.47Å
228S67.7Low64.4Low46 Ų4662.5 Ų62.532%0.32242%0.424SS..  trans-77.595.6178-66.40000109S230 V253S228-S230 PolarHBondContact O-N 3.12Å; S228-V253 PolarHBondContact N-O 3.24Å
229C49.7Very low61.7Low102 Ų10267.3 Ų67.369%0.68946%0.457SS*.  trans-88.119.7-178.2-149.80000113.6I227I227-C229 PolarHBondContact O-N 2.74Å; I227-C229 VanDerWaalsContact O-N 3.13Å
230S39.8Very low58.7Low87 Ų8773.7 Ų73.761%0.60849%0.49SS*.SBendtrans-117.7125.3179.4177.90000109.2S228 A232S228-S230 PolarHBondContact O-N 3.12Å; S230-A232 PolarHBondContact O-N 3.19Å; S230-A232 VanDerWaalsContact O-N 3.16Å
231A38.6Very low55.8Low91 Ų9180.9 Ų80.975%0.75253%0.528SS*.  trans-48.4122160.200000107.3V233A231-V233 PolarHBondContact O-N 3.18Å
232A31.7Very low52.8Low95 Ų9589.8 Ų89.879%0.78556%0.562SS**  trans-47.6109-174.500000110.4S230 P234S230-A232 PolarHBondContact O-N 3.19Å; S230-A232 VanDerWaalsContact O-N 3.16Å; A232-P234 WeakPolarHBondContact O-CD 3.38Å
233V32.1Very low50Low121 Ų12192.5 Ų92.573%0.73358%0.58SS**PPolyproline II helixtrans-66.2120.7165.6-179.50000105.6A231 A235A231-V233 PolarHBondContact O-N 3.18Å; V233-A235 PolarHBondContact O-N 2.91Å; V233-A235 VanDerWaalsContact O-N 3.14Å
234P32.8Very low47.2Very low117 Ų11799.3 Ų99.376%0.7662%0.615SS**PPolyproline II helixtrans-62.1121.7178.2-1426.9000107.9A232 A236A232-P234 WeakPolarHBondContact O-CD 3.38Å; P234-A236 PolarHBondContact O-N 2.99Å
235A33.6Very low44.4Very low99 Ų99105.4 Ų105.482%0.81865%0.648SS**PPolyproline II helixtrans-60.1123.6173.600000108.5V233 S237V233-A235 PolarHBondContact O-N 2.91Å; V233-A235 VanDerWaalsContact O-N 3.14Å; A235-S237 PolarHBondContact O-N 2.75Å
236A33.1Very low41.9Very low91 Ų91112.1 Ų112.175%0.75268%0.676SS**PPolyproline II helixtrans-52.9127.3178.300000110.6P234 T238P234-A236 PolarHBondContact O-N 2.99Å; A236-T238 PolarHBondContact O-N 2.74Å; A236-T238 VanDerWaalsContact O-N 3.1Å
237S37Very low39.5Very low124 Ų124110 Ų11087%0.86767%0.674SS**  trans-65.3106.2-179.648.80000110.6A235A235-S237 PolarHBondContact O-N 2.75Å
238T36.9Very low37.8Very low116 Ų116119.9 Ų119.971%0.71271%0.709SS**  trans-112.5126.116439.60000109.2A236 L240A236-T238 PolarHBondContact O-N 2.74Å; A236-T238 VanDerWaalsContact O-N 3.1Å; T238-L240 VanDerWaalsContact C-N 3.34Å; T238-L240 PolarHBondContact O-N 3.13Å
239S41.8Very low36.4Very low123 Ų123126.2 Ų126.286%0.8673%0.731SS**  trans-79.867.5-167.366.70000113
240L35.5Very low36.2Very low138 Ų138126.8 Ų126.872%0.72373%0.733SS**  trans-134.1141.3168.3-77.1167.1000109.2T238 W242 P243T238-L240 VanDerWaalsContact C-N 3.34Å; T238-L240 PolarHBondContact O-N 3.13Å; L240-W242 PolarHBondContact O-N 3.36Å; L240-P243 WeakPolarHBondContact O-CD 3.39Å
241L39.1Very low36.9Very low153 Ų153125 Ų12580%0.80173%0.729SS**SBendtrans-75.7-10.9-177.3-74.7154.7000113.1
242W33.8Very low38.3Very low186 Ų186121.9 Ų121.971%0.70571%0.705SS**THydrogen-bonded Turntrans-73.5-32.3-176.2-155.3-104.4000116.6L240 L244 F246L240-W242 PolarHBondContact O-N 3.36Å; W242-L244 PolarHBondContact O-N 3.22Å; W242-F246 HydrophobicContact CZ2-CE2 4.19Å; W242-F246 AromaticContact NE1-CD2 3.96Å; W242-F246 AromaticContact NE1-CE2 3.95Å
243P38.7Very low40.6Very low58 Ų58117.7 Ų117.738%0.37767%0.67SS.*Hα-helixtrans-68.9-19.8175.7-14.430.4000112.8L240 L245 F246 T247L240-P243 WeakPolarHBondContact O-CD 3.39Å; P243-L245 VanDerWaalsContact C-N 3.27Å; P243-L245 PolarHBondContact O-N 2.91Å; P243-F246 CarbonylContact O-C 3.49Å; P243-F246 PolarHBondContact O-N 3.36Å; P243-T247 HydrophobicContact CB-CG2 4.37Å; P243-T247 WeakPolarHBondContact O-CA 2.93Å; P243-T247 VanDerWaalsContact O-CB 3.29Å; P243-T247 WeakPolarHBondContact O-CB 3.39Å; P243-T247 WeakPolarHBondContact O-CG2 3.29Å; P243-T247 PolarHBondContact O-N 3.43Å; P243-T247 PolarHBondContact O-OG1 3Å
244L37.1Very low43.2Very low142 Ų142113.8 Ų113.874%0.74365%0.648SS**Hα-helixtrans-68.6-26.5-177.4-127.4132.6000112.8W242 T247W242-L244 PolarHBondContact O-N 3.22Å; L244-T247 PolarHBondContact O-OG1 3.33Å
245L33.4Very low45.9Very low144 Ų144109.1 Ų109.175%0.75462%0.618SS**Hα-helixtrans-89.7-18.8175.3-73.4162.6000113.4P243P243-L245 VanDerWaalsContact C-N 3.27Å; P243-L245 PolarHBondContact O-N 2.91Å
246F34.2Very low48.4Very low152 Ų152108.5 Ų108.567%0.66760%0.601SS**Hα-helixtrans-121.814.5-177.3-69.7-76.8000113.9W242 P243 R248W242-F246 HydrophobicContact CZ2-CE2 4.19Å; W242-F246 AromaticContact NE1-CD2 3.96Å; W242-F246 AromaticContact NE1-CE2 3.95Å; P243-F246 CarbonylContact O-C 3.49Å; P243-F246 PolarHBondContact O-N 3.36Å; F246-R248 VanDerWaalsContact C-N 3.31Å; F246-R248 PolarHBondContact O-N 3.12Å
247T30.5Very low51.1Low91 Ų91108.8 Ų108.856%0.55859%0.587SS**  trans-66.996172.6360000107.3P243 L244 K249P243-T247 HydrophobicContact CB-CG2 4.37Å; P243-T247 WeakPolarHBondContact O-CA 2.93Å; P243-T247 VanDerWaalsContact O-CB 3.29Å; P243-T247 WeakPolarHBondContact O-CB 3.39Å; P243-T247 WeakPolarHBondContact O-CG2 3.29Å; P243-T247 PolarHBondContact O-N 3.43Å; P243-T247 PolarHBondContact O-OG1 3Å; L244-T247 PolarHBondContact O-OG1 3.33Å; T247-K249 PolarHBondContact O-N 2.93Å
248R36.1Very low53.7Low241 Ų241102.9 Ų102.991%0.90955%0.545SS*.  trans-55.791.1155.8-81.7-178.9169.4167.9-1.6105.9F246F246-R248 VanDerWaalsContact C-N 3.31Å; F246-R248 PolarHBondContact O-N 3.12Å
249K38.6Very low56.3Low180 Ų18097.3 Ų97.378%0.78351%0.511SS*.  trans-45.5128.7155.7-81-172.4175.4-177.10105.1T247 G251T247-K249 PolarHBondContact O-N 2.93Å; K249-G251 VanDerWaalsContact C-N 3.27Å; K249-G251 PolarHBondContact O-N 2.72Å
250P45.7Very low58.6Low113 Ų11394.2 Ų94.273%0.73449%0.487SS*.  trans-58.4104.4172.623.7-29.4000105.2G252P250-G252 PolarHBondContact O-N 3.32Å
251G55.7Low61.3Low50 Ų5088.8 Ų88.852%0.51546%0.458SS..  trans-76.455.2-167.300000111.3K249K249-G251 VanDerWaalsContact C-N 3.27Å; K249-G251 PolarHBondContact O-N 2.72Å
252G66.4Low64Low25 Ų2581.5 Ų81.526%0.25842%0.42SS..  trans-112.2157.2175.200000110.8F226 P250F226-G252 CarbonylContact O-C 3.54Å; F226-G252 WeakPolarHBondContact O-CA 3.24Å; P250-G252 PolarHBondContact O-N 3.32Å
253V80.6Confident66.8Low8 Ų872.9 Ų72.95%0.04839%0.388CS..BIsolated β-bridgetrans-89.5140175.3-170.70000107.4F226 I227 S228 E257 V258 I275F226-V253 PolarHBondContact O-N 2.74Å; I227-V253 VanDerWaalsContact CA-O 3.27Å; I227-V253 WeakPolarHBondContact CA-O 3.47Å; S228-V253 PolarHBondContact N-O 3.24Å; V253-E257 HydrophobicContact CG1-CB 3.93Å; V253-E257 HydrophobicContact CG1-CG 3.96Å; V253-E257 WeakPolarHBondContact CG1-OE2 3.02Å; V253-V258 HydrophobicContact CB-CG2 4.09Å; V253-V258 HydrophobicContact CG1-CG2 3.45Å; V253-V258 VanDerWaalsContact CG1-CG2 3.45Å; V253-I275 HydrophobicContact CB-CG2 4.37Å; V253-I275 HydrophobicContact CG1-CG2 3.75Å; V253-I275 HydrophobicContact CG2-CB 4.41Å; V253-I275 HydrophobicContact CG2-CG2 3.64Å
254S87.3Confident69.3Low38 Ų3874.6 Ų74.627%0.26639%0.387SS..  trans-78.9149.6175.862.50000111D256 E257 V258S254-D256 VanDerWaalsContact C-N 3.26Å; S254-D256 WeakPolarHBondContact CB-OD1 3.49Å; S254-D256 PolarHBondContact O-N 3.39Å; S254-D256 PolarHBondContact OG-OD1 3.33Å; S254-E257 PolarHBondContact O-N 2.76Å; S254-E257 WeakPolarHBondContact OG-CB 3.3Å; S254-V258 PolarHBondContact O-N 3.2Å
255P88.5Confident72Confident20 Ų2067.9 Ų67.913%0.1335%0.351CS..Hα-helixtrans-55.2-37.4178.2-28.936.7000114.1L52 E55 I227 V258 A259L52-P255 WeakPolarHBondContact CD1-O 3.27Å; E55-P255 HydrophobicContact CB-CB 4.32Å; E55-P255 HydrophobicContact CG-CB 3.68Å; I227-P255 HydrophobicContact CG2-CB 4.5Å; I227-P255 HydrophobicContact CG2-CG 3.7Å; P255-V258 PolarHBondContact O-N 3.16Å; P255-A259 WeakPolarHBondContact O-CB 3.24Å; P255-A259 PolarHBondContact O-N 2.85Å
256D87.4Confident74.9Confident86 Ų8661.4 Ų61.446%0.4632%0.318SS..Hα-helixtrans-66.5-37.3177.764.2-63000112.7S254 A259 T260S254-D256 VanDerWaalsContact C-N 3.26Å; S254-D256 WeakPolarHBondContact CB-OD1 3.49Å; S254-D256 PolarHBondContact O-N 3.39Å; S254-D256 PolarHBondContact OG-OD1 3.33Å; D256-A259 PolarHBondContact O-N 3.29Å; D256-T260 WeakPolarHBondContact O-CB 3.35Å; D256-T260 PolarHBondContact O-N 3.42Å; D256-T260 PolarHBondContact O-OG1 3Å
257E88.3Confident77.5Confident96 Ų9656.2 Ų56.245%0.44930%0.297SS..Hα-helixtrans-65.2-43.8176-176.5-178.117400110.2V253 S254 T260 E261V253-E257 HydrophobicContact CG1-CB 3.93Å; V253-E257 HydrophobicContact CG1-CG 3.96Å; V253-E257 WeakPolarHBondContact CG1-OE2 3.02Å; S254-E257 PolarHBondContact O-N 2.76Å; S254-E257 WeakPolarHBondContact OG-CB 3.3Å; E257-T260 PolarHBondContact O-N 2.82Å; E257-E261 WeakPolarHBondContact O-CB 3.26Å; E257-E261 PolarHBondContact O-N 3.22Å
258V91.6Very high80.4Confident0 Ų056.9 Ų56.90%030%0.297CS..Hα-helixtrans-66.5-44.3176.5-175.70000111.2L52 I227 V253 S254 P255 T260 E261 I262 I275L52-V258 HydrophobicContact CD1-CB 3.72Å; L52-V258 HydrophobicContact CD1-CG1 3.83Å; L52-V258 HydrophobicContact CD2-CB 4.24Å; L52-V258 HydrophobicContact CD2-CG1 3.62Å; L52-V258 HydrophobicContact CG-CG1 4.41Å; I227-V258 HydrophobicContact CD1-CG2 4.46Å; I227-V258 HydrophobicContact CG1-CG2 4.47Å; V253-V258 HydrophobicContact CB-CG2 4.09Å; V253-V258 HydrophobicContact CG1-CG2 3.45Å; V253-V258 VanDerWaalsContact CG1-CG2 3.45Å; S254-V258 PolarHBondContact O-N 3.2Å; P255-V258 PolarHBondContact O-N 3.16Å; V258-T260 VanDerWaalsContact C-N 3.32Å; V258-T260 PolarHBondContact O-N 3.33Å; V258-E261 CarbonylContact O-C 3.6Å; V258-E261 PolarHBondContact O-N 3.33Å; V258-E261 VanDerWaalsContact O-N 3.15Å; V258-I262 HydrophobicContact CG1-CD1 4.1Å; V258-I262 HydrophobicContact CG1-CG1 4.42Å; V258-I262 WeakPolarHBondContact O-CG1 3.38Å; V258-I262 PolarHBondContact O-N 3.22Å; V258-I275 HydrophobicContact CG1-CD1 4.43Å; V258-I275 HydrophobicContact CG2-CD1 4.32Å
259A92.5Very high83Confident0 Ų051.6 Ų51.60%028%0.281CS..Hα-helixtrans-60.1-42.8177.400000111.7L52 E55 V59 P255 D256 E261 I262 V263L52-A259 HydrophobicContact CD1-CB 4.35Å; E55-A259 HydrophobicContact CB-CB 4.17Å; V59-A259 HydrophobicContact CG2-CB 4.34Å; P255-A259 WeakPolarHBondContact O-CB 3.24Å; P255-A259 PolarHBondContact O-N 2.85Å; D256-A259 PolarHBondContact O-N 3.29Å; A259-E261 VanDerWaalsContact C-N 3.33Å; A259-E261 PolarHBondContact O-N 2.99Å; A259-I262 WeakPolarHBondContact O-CB 3.31Å; A259-I262 PolarHBondContact O-N 3.28Å; A259-V263 PolarHBondContact O-N 3.5Å; A259-V263 VanDerWaalsContact O-N 3.15Å
260T90.1Very high85.7Confident58 Ų5846.8 Ų46.836%0.35626%0.258SS..Hα-helixtrans-62.1-42.9174.7-57.70000111.3D256 E257 V258 I262 V263 R264D256-T260 WeakPolarHBondContact O-CB 3.35Å; D256-T260 PolarHBondContact O-N 3.42Å; D256-T260 PolarHBondContact O-OG1 3Å; E257-T260 PolarHBondContact O-N 2.82Å; V258-T260 VanDerWaalsContact C-N 3.32Å; V258-T260 PolarHBondContact O-N 3.33Å; T260-I262 VanDerWaalsContact C-N 3.34Å; T260-V263 PolarHBondContact O-N 3.49Å; T260-R264 WeakPolarHBondContact O-CG 3.26Å; T260-R264 PolarHBondContact O-N 3.39Å
261E92.3Very high88.1Confident24 Ų2446.7 Ų46.711%0.11225%0.246CC..Hα-helixtrans-68.3-32.6178.5-166.665.2-17400112.6E257 V258 A259 R264 T265 R270 V273 I275E257-E261 WeakPolarHBondContact O-CB 3.26Å; E257-E261 PolarHBondContact O-N 3.22Å; V258-E261 CarbonylContact O-C 3.6Å; V258-E261 PolarHBondContact O-N 3.33Å; V258-E261 VanDerWaalsContact O-N 3.15Å; A259-E261 VanDerWaalsContact C-N 3.33Å; A259-E261 PolarHBondContact O-N 2.99Å; E261-R264 PolarHBondContact O-N 2.99Å; E261-R264 WeakPolarHBondContact OE2-CD 3.29Å; E261-R264 IonicContact OE2-CZ 3.12Å; E261-R264 IonicContact OE2-NH1 2.99Å; E261-R264 PolarHBondContact OE2-NH1 3.26Å; E261-T265 VanDerWaalsContact O-CB 3.24Å; E261-T265 WeakPolarHBondContact O-CB 3.29Å; E261-T265 PolarHBondContact O-N 3.42Å; E261-T265 PolarHBondContact O-OG1 2.98Å; E261-R270 IonicContact OE1-CZ 2.77Å; E261-R270 IonicContact OE1-NH1 4Å; E261-R270 PolarHBondContact OE1-NH1 3.41Å; E261-R270 IonicContact OE1-NH2 2.63Å; E261-R270 PolarHBondContact OE1-NH2 3.37Å; E261-R270 IonicContact OE2-NH2 2.84Å; E261-V273 HydrophobicContact CG-CG1 3.88Å; E261-V273 WeakPolarHBondContact OE1-CG1 3.36Å; E261-I275 HydrophobicContact CB-CD1 3.82Å; E261-I275 HydrophobicContact CG-CD1 3.68Å; E261-I275 HydrophobicContact CG-CG1 4.19Å
262I94.8Very high90Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-57.3-53.2170.2-75.2165.6000109.4L52 C56 F60 I127 L177 V179 I222 V258 A259 T260 R264 T265 L266L52-I262 HydrophobicContact CD1-CD1 4.48Å; C56-I262 VanDerWaalsContact SG-CD1 3.53Å; F60-I262 HydrophobicContact CE2-CG2 3.96Å; F60-I262 HydrophobicContact CZ-CG2 3.81Å; I127-I262 HydrophobicContact CD1-CG2 4Å; L177-I262 HydrophobicContact CD1-CG2 4.04Å; L177-I262 HydrophobicContact CD2-CG1 4.12Å; L177-I262 HydrophobicContact CD2-CG2 4.42Å; V179-I262 HydrophobicContact CG2-CD1 3.9Å; I222-I262 HydrophobicContact CD1-CB 4.27Å; I222-I262 HydrophobicContact CD1-CG1 3.56Å; V258-I262 HydrophobicContact CG1-CD1 4.1Å; V258-I262 HydrophobicContact CG1-CG1 4.42Å; V258-I262 WeakPolarHBondContact O-CG1 3.38Å; V258-I262 PolarHBondContact O-N 3.22Å; A259-I262 WeakPolarHBondContact O-CB 3.31Å; A259-I262 PolarHBondContact O-N 3.28Å; T260-I262 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 2.98Å; I262-T265 WeakPolarHBondContact O-CB 3.5Å; I262-T265 PolarHBondContact O-N 3.44Å; I262-T265 VanDerWaalsContact O-N 3.07Å; I262-L266 HydrophobicContact CG2-CD1 4.1Å; I262-L266 WeakPolarHBondContact O-CG 3.25Å; I262-L266 PolarHBondContact O-N 3.49Å
263V92.9Very high91.5Very high4 Ų447.2 Ų47.22%0.02423%0.229CC..Hα-helixtrans-63.7-41.2-178.7-169.50000111.7S34 V38 V59 F60 A259 T260 T265 L266 N267S34-V263 VanDerWaalsContact CB-CG1 3.49Å; V38-V263 HydrophobicContact CG1-CG1 4.17Å; V59-V263 HydrophobicContact CG1-CG2 3.69Å; F60-V263 HydrophobicContact CE2-CG2 4.29Å; F60-V263 HydrophobicContact CZ-CG2 4.06Å; A259-V263 PolarHBondContact O-N 3.5Å; A259-V263 VanDerWaalsContact O-N 3.15Å; T260-V263 PolarHBondContact O-N 3.49Å; V263-T265 VanDerWaalsContact C-N 3.26Å; V263-T265 PolarHBondContact O-N 3.02Å; V263-L266 PolarHBondContact O-N 2.74Å; V263-N267 VanDerWaalsContact O-CG 3.22Å; V263-N267 PolarHBondContact O-N 2.96Å; V263-N267 PolarHBondContact O-OD1 3.49Å; V263-N267 VanDerWaalsContact O-OD1 3.12Å
264R91.2Very high92.1Very high95 Ų9549.1 Ų49.136%0.35824%0.238SC..Hα-helixtrans-59.8-38.3173.8-70.5-178.1-165.7137.2-0.5112.5I30 T260 E261 I262 N268I30-R264 HydrophobicContact CG2-CG 4.23Å; T260-R264 WeakPolarHBondContact O-CG 3.26Å; T260-R264 PolarHBondContact O-N 3.39Å; E261-R264 PolarHBondContact O-N 2.99Å; E261-R264 WeakPolarHBondContact OE2-CD 3.29Å; E261-R264 IonicContact OE2-CZ 3.12Å; E261-R264 IonicContact OE2-NH1 2.99Å; E261-R264 PolarHBondContact OE2-NH1 3.26Å; I262-R264 PolarHBondContact O-N 2.98Å; R264-N268 WeakPolarHBondContact O-CB 3.43Å; R264-N268 PolarHBondContact O-N 2.95Å; R264-N268 PolarHBondContact O-ND2 2.84Å
265T94.2Very high92.3Very high0 Ų048.1 Ų48.10%023%0.23CC..Hα-helixtrans-68.2-40.2179.4-620000111.5L177 I222 E261 I262 V263 K269 R270 V273L177-T265 HydrophobicContact CD1-CG2 4Å; I222-T265 HydrophobicContact CD1-CG2 4.3Å; I222-T265 HydrophobicContact CG1-CG2 4.33Å; E261-T265 VanDerWaalsContact O-CB 3.24Å; E261-T265 WeakPolarHBondContact O-CB 3.29Å; E261-T265 PolarHBondContact O-N 3.42Å; E261-T265 PolarHBondContact O-OG1 2.98Å; I262-T265 WeakPolarHBondContact O-CB 3.5Å; I262-T265 PolarHBondContact O-N 3.44Å; I262-T265 VanDerWaalsContact O-N 3.07Å; V263-T265 VanDerWaalsContact C-N 3.26Å; V263-T265 PolarHBondContact O-N 3.02Å; T265-K269 VanDerWaalsContact O-CA 3.32Å; T265-K269 WeakPolarHBondContact O-CA 3.24Å; T265-K269 PolarHBondContact O-N 3.43Å; T265-R270 HydrophobicContact CG2-CB 4.2Å; T265-R270 PolarHBondContact O-N 3.44Å; T265-R270 VanDerWaalsContact O-N 3.17Å; T265-R270 PolarHBondContact OG1-NH2 2.91Å; T265-V273 HydrophobicContact CG2-CG2 4.25Å; T265-V273 WeakPolarHBondContact OG1-CG2 2.92Å
266L93.3Very high92.3Very high9 Ų947.7 Ų47.75%0.04723%0.228CC..Hα-helixtrans-62.8-48.1173.8-66.4172.6000111.3F60 I125 H175 L177 I262 V263 N268 K269F60-L266 HydrophobicContact CE1-CD1 3.61Å; F60-L266 HydrophobicContact CZ-CD1 3.44Å; F60-L266 VanDerWaalsContact CZ-CD1 3.44Å; I125-L266 HydrophobicContact CD1-CD1 4.2Å; I125-L266 HydrophobicContact CG2-CD1 4.03Å; I125-L266 HydrophobicContact CG2-CD2 3.82Å; H175-L266 HydrophobicContact CB-CD2 4.28Å; H175-L266 WeakPolarHBondContact ND1-CD2 3.45Å; L177-L266 HydrophobicContact CB-CD2 4.26Å; L177-L266 HydrophobicContact CD1-CD2 3.69Å; L177-L266 HydrophobicContact CD1-CG 3.9Å; I262-L266 HydrophobicContact CG2-CD1 4.1Å; I262-L266 WeakPolarHBondContact O-CG 3.25Å; I262-L266 PolarHBondContact O-N 3.49Å; V263-L266 PolarHBondContact O-N 2.74Å; L266-N268 PolarHBondContact O-N 2.9Å; L266-K269 PolarHBondContact O-N 3.47Å
267N90.4Very high92.2Very high43 Ų4346.4 Ų46.423%0.2323%0.225CC..Hα-helixtrans-59.2-48179.5-67.53.5000112.9S34 S37 V263 K269S34-N267 WeakPolarHBondContact CA-ND2 3.23Å; S37-N267 WeakPolarHBondContact CB-OD1 3.19Å; S37-N267 PolarHBondContact OG-OD1 2.8Å; V263-N267 VanDerWaalsContact O-CG 3.22Å; V263-N267 PolarHBondContact O-N 2.96Å; V263-N267 PolarHBondContact O-OD1 3.49Å; V263-N267 VanDerWaalsContact O-OD1 3.12Å; N267-K269 VanDerWaalsContact C-N 3.31Å
268N90.1Very high92Very high105 Ų10546.3 Ų46.356%0.56124%0.235SC*.Hα-helixtrans-89.1-0.8-173.6-65.4-21.5000112.7R264 L266 R270R264-N268 WeakPolarHBondContact O-CB 3.43Å; R264-N268 PolarHBondContact O-N 2.95Å; R264-N268 PolarHBondContact O-ND2 2.84Å; L266-N268 PolarHBondContact O-N 2.9Å; N268-R270 HydrophobicContact CB-CG 3.98Å; N268-R270 PolarHBondContact O-N 3.31Å; N268-R270 VanDerWaalsContact O-N 3.14Å
269K92.3Very high91.7Very high130 Ų13052.9 Ų52.957%0.56527%0.269SS*.THydrogen-bonded Turntrans47.540-174-59.7-179.1175.1-171.80112.9T265 L266 N267 K271T265-K269 VanDerWaalsContact O-CA 3.32Å; T265-K269 WeakPolarHBondContact O-CA 3.24Å; T265-K269 PolarHBondContact O-N 3.43Å; L266-K269 PolarHBondContact O-N 3.47Å; N267-K269 VanDerWaalsContact C-N 3.31Å; K269-K271 PolarHBondContact O-N 2.91Å
270R93.9Very high91.5Very high79 Ų7954.7 Ų54.730%0.29828%0.281SS..  trans-66.7125.4-178.9-74.5-174.3-59.7-165.6-1.6109.5S220 E261 T265 N268 E272 V273S220-R270 VanDerWaalsContact CB-O 3.3Å; S220-R270 WeakPolarHBondContact CB-O 3.46Å; S220-R270 PolarHBondContact OG-O 2.77Å; E261-R270 IonicContact OE1-CZ 2.77Å; E261-R270 IonicContact OE1-NH1 4Å; E261-R270 PolarHBondContact OE1-NH1 3.41Å; E261-R270 IonicContact OE1-NH2 2.63Å; E261-R270 PolarHBondContact OE1-NH2 3.37Å; E261-R270 IonicContact OE2-NH2 2.84Å; T265-R270 HydrophobicContact CG2-CB 4.2Å; T265-R270 PolarHBondContact O-N 3.44Å; T265-R270 VanDerWaalsContact O-N 3.17Å; T265-R270 PolarHBondContact OG1-NH2 2.91Å; N268-R270 HydrophobicContact CB-CG 3.98Å; N268-R270 PolarHBondContact O-N 3.31Å; N268-R270 VanDerWaalsContact O-N 3.14Å; R270-E272 PolarHBondContact O-N 2.77Å; R270-V273 HydrophobicContact CB-CG2 4.06Å
271K96.1Very high91.4Very high110 Ų11055.5 Ų55.548%0.47828%0.279SS..SBendtrans-63.6-40.8-176.7-64.6-172.9172.7-165.90111.9R209 E213 S220 T221 K269R209-K271 PolarHBondContact NH2-O 2.9Å; E213-K271 IonicContact OE1-NZ 2.86Å; E213-K271 PolarHBondContact OE1-NZ 3.17Å; S220-K271 WeakPolarHBondContact CA-O 3.21Å; T221-K271 PolarHBondContact N-O 2.94Å; K269-K271 PolarHBondContact O-N 2.91Å
272E96.8Very high91.3Very high72 Ų7260.5 Ų60.534%0.33630%0.304SS..EExtended strand (participates in β ladder)trans-147.8141.1179.1-179.6168.5-152.100112K185 T221 N223 R270K185-E272 WeakPolarHBondContact CE-OE1 3.36Å; K185-E272 IonicContact NZ-OE1 3Å; K185-E272 PolarHBondContact NZ-OE1 3.46Å; K185-E272 IonicContact NZ-OE2 3.34Å; K185-E272 PolarHBondContact NZ-OE2 3.12Å; T221-E272 CarbonylContact O-C 3.11Å; T221-E272 WeakPolarHBondContact O-CA 3.12Å; T221-E272 WeakPolarHBondContact OG1-CG 3.3Å; N223-E272 PolarHBondContact ND2-OE1 2.96Å; R270-E272 PolarHBondContact O-N 2.77Å
273V96.3Very high91.1Very high14 Ų1461.8 Ų61.89%0.08532%0.315CS..EExtended strand (participates in β ladder)trans-132.2136.9175.2179.10000110.1T221 I222 N223 E261 T265 R270 I275T221-V273 PolarHBondContact O-N 2.67Å; I222-V273 CarbonylContact C-O 3.57Å; I222-V273 WeakPolarHBondContact CA-O 3.3Å; I222-V273 HydrophobicContact CG1-CB 4.28Å; N223-V273 PolarHBondContact N-O 2.65Å; E261-V273 HydrophobicContact CG-CG1 3.88Å; E261-V273 WeakPolarHBondContact OE1-CG1 3.36Å; T265-V273 HydrophobicContact CG2-CG2 4.25Å; T265-V273 WeakPolarHBondContact OG1-CG2 2.92Å; R270-V273 HydrophobicContact CB-CG2 4.06Å; V273-I275 HydrophobicContact CG1-CG1 4.02Å
274L94.4Very high91.1Very high48 Ų4862.6 Ų62.625%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-117.4105.7177.6178.663.1000111I182 N223 A276 K281 I284I182-L274 HydrophobicContact CD1-CD1 4.21Å; I182-L274 HydrophobicContact CG1-CD1 4.1Å; N223-L274 HydrophobicContact CB-CD1 3.9Å; N223-L274 CarbonylContact O-C 3.04Å; N223-L274 WeakPolarHBondContact O-CA 3.37Å; N223-L274 WeakPolarHBondContact O-CD1 3.28Å; L274-A276 HydrophobicContact CD1-CB 4.2Å; L274-A276 HydrophobicContact CG-CB 4.28Å; L274-K281 HydrophobicContact CD2-CD 4.45Å; L274-K281 HydrophobicContact CD2-CG 3.76Å; L274-K281 HydrophobicContact CG-CG 4.25Å; L274-K281 WeakPolarHBondContact O-CE 3.23Å; L274-K281 PolarHBondContact O-NZ 3.39Å; L274-I284 HydrophobicContact CD1-CD1 4.09Å; L274-I284 HydrophobicContact CD2-CD1 3.46Å; L274-I284 VanDerWaalsContact CD2-CD1 3.46Å; L274-I284 HydrophobicContact CG-CD1 4.45Å
275I92.1Very high91.2Very high17 Ų1764 Ų649%0.08733%0.328CS..EExtended strand (participates in β ladder)trans-9893.2178.2-42.5176.8000108.9I222 N223 H224 T225 V253 V258 E261 V273I222-I275 HydrophobicContact CG2-CD1 3.62Å; I222-I275 HydrophobicContact CG2-CG1 4.03Å; N223-I275 PolarHBondContact O-N 3.25Å; H224-I275 CarbonylContact C-O 3.58Å; H224-I275 VanDerWaalsContact CA-O 3.31Å; H224-I275 WeakPolarHBondContact CA-O 3.05Å; H224-I275 HydrophobicContact CB-CB 4.24Å; T225-I275 PolarHBondContact N-O 3.38Å; V253-I275 HydrophobicContact CB-CG2 4.37Å; V253-I275 HydrophobicContact CG1-CG2 3.75Å; V253-I275 HydrophobicContact CG2-CB 4.41Å; V253-I275 HydrophobicContact CG2-CG2 3.64Å; V258-I275 HydrophobicContact CG1-CD1 4.43Å; V258-I275 HydrophobicContact CG2-CD1 4.32Å; E261-I275 HydrophobicContact CB-CD1 3.82Å; E261-I275 HydrophobicContact CG-CD1 3.68Å; E261-I275 HydrophobicContact CG-CG1 4.19Å; V273-I275 HydrophobicContact CG1-CG1 4.02Å
276A87.3Confident91.2Very high12 Ų1265.5 Ų65.510%0.09934%0.34CS..  trans-153.6150.2-176.800000110.8I182 T225 L274 P280 K281I182-A276 HydrophobicContact CD1-CB 3.94Å; T225-A276 HydrophobicContact CG2-CB 3.46Å; T225-A276 VanDerWaalsContact CG2-CB 3.46Å; L274-A276 HydrophobicContact CD1-CB 4.2Å; L274-A276 HydrophobicContact CG-CB 4.28Å; A276-P280 HydrophobicContact CB-CB 4.36Å; A276-K281 HydrophobicContact CB-CG 3.9Å; A276-K281 WeakPolarHBondContact O-CD 3.42Å; A276-K281 WeakPolarHBondContact O-CE 3.24Å; A276-K281 PolarHBondContact O-NZ 2.92Å
277P84.7Confident91.2Very high59 Ų5968.9 Ų68.938%0.38335%0.352SS..  trans-59.2163.9166.6-20.332.3000111.6L279 P280 K281P277-L279 VanDerWaalsContact C-N 3.26Å; P277-L279 PolarHBondContact O-N 2.89Å; P277-P280 VanDerWaalsContact O-CD 3.31Å; P277-P280 WeakPolarHBondContact O-CD 3.39Å; P277-K281 WeakPolarHBondContact O-CG 3.37Å; P277-K281 PolarHBondContact O-N 2.89Å
278S84.9Confident91.4Very high94 Ų9470.9 Ų70.966%0.65737%0.369SS*.Hα-helixtrans-58.4-36.7-176.7-49.50000113.2K281 M282S278-K281 WeakPolarHBondContact O-CB 3.47Å; S278-K281 PolarHBondContact O-N 2.98Å; S278-M282 WeakPolarHBondContact O-CG 3.44Å; S278-M282 PolarHBondContact O-N 3.35Å
279L86.2Confident91.7Very high137 Ų13772.7 Ų72.772%0.71737%0.373SS*.Hα-helixtrans-66.3-52.4-176.9179.671.4000112.9P277 K281 M282 A283P277-L279 VanDerWaalsContact C-N 3.26Å; P277-L279 PolarHBondContact O-N 2.89Å; L279-K281 VanDerWaalsContact C-N 3.27Å; L279-K281 PolarHBondContact O-N 3.1Å; L279-M282 PolarHBondContact O-N 2.97Å; L279-A283 PolarHBondContact O-N 3.41Å
280P86.4Confident91.9Very high38 Ų3873 Ų7325%0.24737%0.374CS..Hα-helixtrans-60.5-31.8172.9-25.333.5000114.2I182 T225 A276 P277 A283 I284I182-P280 HydrophobicContact CD1-CB 3.46Å; I182-P280 VanDerWaalsContact CD1-CB 3.46Å; T225-P280 HydrophobicContact CG2-CB 4.18Å; T225-P280 HydrophobicContact CG2-CG 4.25Å; A276-P280 HydrophobicContact CB-CB 4.36Å; P277-P280 VanDerWaalsContact O-CD 3.31Å; P277-P280 WeakPolarHBondContact O-CD 3.39Å; P280-A283 WeakPolarHBondContact O-CB 3.41Å; P280-A283 PolarHBondContact O-N 3.4Å; P280-I284 PolarHBondContact O-N 3.14Å
281K89.1Confident92Very high76 Ų7671.8 Ų71.833%0.3338%0.377SS..Hα-helixtrans-62.2-48173-69.8178.1167.4162.10111.3L274 A276 P277 S278 L279 A283 I284 F285L274-K281 HydrophobicContact CD2-CD 4.45Å; L274-K281 HydrophobicContact CD2-CG 3.76Å; L274-K281 HydrophobicContact CG-CG 4.25Å; L274-K281 WeakPolarHBondContact O-CE 3.23Å; L274-K281 PolarHBondContact O-NZ 3.39Å; A276-K281 HydrophobicContact CB-CG 3.9Å; A276-K281 WeakPolarHBondContact O-CD 3.42Å; A276-K281 WeakPolarHBondContact O-CE 3.24Å; A276-K281 PolarHBondContact O-NZ 2.92Å; P277-K281 WeakPolarHBondContact O-CG 3.37Å; P277-K281 PolarHBondContact O-N 2.89Å; S278-K281 WeakPolarHBondContact O-CB 3.47Å; S278-K281 PolarHBondContact O-N 2.98Å; L279-K281 VanDerWaalsContact C-N 3.27Å; L279-K281 PolarHBondContact O-N 3.1Å; K281-A283 PolarHBondContact O-N 3.29Å; K281-I284 WeakPolarHBondContact O-CB 3.42Å; K281-I284 PolarHBondContact O-N 3.2Å; K281-F285 VanDerWaalsContact O-CD2 3.22Å; K281-F285 WeakPolarHBondContact O-CD2 3.33Å
282M90.4Very high92Very high128 Ų12873.2 Ų73.263%0.63139%0.389SS*.Hα-helixtrans-59.4-35.4175.2-72.2177.768.500112.1S278 L279 I284 F285 A286S278-M282 WeakPolarHBondContact O-CG 3.44Å; S278-M282 PolarHBondContact O-N 3.35Å; L279-M282 PolarHBondContact O-N 2.97Å; M282-I284 VanDerWaalsContact C-N 3.29Å; M282-I284 PolarHBondContact O-N 2.97Å; M282-F285 PolarHBondContact O-N 3.38Å; M282-A286 WeakPolarHBondContact O-CB 3.5Å; M282-A286 PolarHBondContact O-N 3.48Å
283A90.7Very high91.8Very high27 Ų2774.1 Ų74.122%0.22340%0.4CS..Hα-helixtrans-62-34178.100000113I186 L279 P280 K281 A286 R287 F294I186-A283 HydrophobicContact CD1-CB 4.36Å; L279-A283 PolarHBondContact O-N 3.41Å; P280-A283 WeakPolarHBondContact O-CB 3.41Å; P280-A283 PolarHBondContact O-N 3.4Å; K281-A283 PolarHBondContact O-N 3.29Å; A283-A286 PolarHBondContact O-N 3.21Å; A283-R287 WeakPolarHBondContact O-CB 3.16Å; A283-R287 PolarHBondContact O-N 2.96Å; A283-F294 HydrophobicContact CB-CE2 4.23Å
284I92.6Very high91.7Very high21 Ų2174.1 Ų74.111%0.10840%0.398CS..Hα-helixtrans-63.1-45.8174.1-58.9165.4000110.7I182 K185 I186 L274 P280 K281 M282 R287 S288I182-I284 HydrophobicContact CD1-CD1 3.99Å; I182-I284 HydrophobicContact CD1-CG1 4.39Å; I182-I284 HydrophobicContact CG1-CD1 3.93Å; I182-I284 HydrophobicContact CG1-CG1 4.33Å; K185-I284 HydrophobicContact CB-CG2 4.49Å; I186-I284 HydrophobicContact CD1-CG1 4.45Å; I186-I284 HydrophobicContact CG1-CG1 4.48Å; I186-I284 HydrophobicContact CG2-CB 4.07Å; I186-I284 HydrophobicContact CG2-CG1 3.67Å; I186-I284 HydrophobicContact CG2-CG2 4.49Å; L274-I284 HydrophobicContact CD1-CD1 4.09Å; L274-I284 HydrophobicContact CD2-CD1 3.46Å; L274-I284 VanDerWaalsContact CD2-CD1 3.46Å; L274-I284 HydrophobicContact CG-CD1 4.45Å; P280-I284 PolarHBondContact O-N 3.14Å; K281-I284 WeakPolarHBondContact O-CB 3.42Å; K281-I284 PolarHBondContact O-N 3.2Å; M282-I284 VanDerWaalsContact C-N 3.29Å; M282-I284 PolarHBondContact O-N 2.97Å; I284-R287 PolarHBondContact O-N 2.79Å; I284-S288 PolarHBondContact O-N 3.49Å; I284-S288 PolarHBondContact O-OG 2.93Å; I284-S288 VanDerWaalsContact O-OG 3.04Å
285F93.6Very high91.6Very high126 Ų12676.8 Ų76.855%0.55341%0.408SS*.Hα-helixtrans-67.5-42.2176.8-63.4-67.1000111.6K281 M282 R287 S288 F289K281-F285 VanDerWaalsContact O-CD2 3.22Å; K281-F285 WeakPolarHBondContact O-CD2 3.33Å; M282-F285 PolarHBondContact O-N 3.38Å; F285-R287 VanDerWaalsContact C-N 3.33Å; F285-R287 PolarHBondContact O-N 2.94Å; F285-S288 PolarHBondContact O-N 3.35Å; F285-F289 HydrophobicContact CB-CD2 4.17Å; F285-F289 HydrophobicContact CB-CE2 4.41Å; F285-F289 HydrophobicContact CD1-CE2 4.06Å; F285-F289 VanDerWaalsContact O-CD2 3.3Å; F285-F289 WeakPolarHBondContact O-CD2 3.36Å; F285-F289 PolarHBondContact O-N 3.48Å
286A93.4Very high91.6Very high30 Ų3079 Ų7925%0.24843%0.429CS..Hα-helixtrans-61-40.3177.400000112.1M282 A283 S288 F290 F294M282-A286 WeakPolarHBondContact O-CB 3.5Å; M282-A286 PolarHBondContact O-N 3.48Å; A283-A286 PolarHBondContact O-N 3.21Å; A286-S288 PolarHBondContact O-N 3.34Å; A286-F290 CarbonylContact O-C 3.56Å; A286-F290 VanDerWaalsContact O-CA 3.27Å; A286-F290 WeakPolarHBondContact O-CA 3.1Å; A286-F290 PolarHBondContact O-N 3.37Å; A286-F294 HydrophobicContact CB-CD2 4.44Å
287R93.9Very high91.8Very high80 Ų8082.8 Ų82.830%0.30245%0.451SS..Hα-helixtrans-56.9-38.1172.1175.3-178172.476.5-0.3112.1I186 A283 I284 F285 F294 F295I186-R287 HydrophobicContact CG2-CB 4.33Å; A283-R287 WeakPolarHBondContact O-CB 3.16Å; A283-R287 PolarHBondContact O-N 2.96Å; I284-R287 PolarHBondContact O-N 2.79Å; F285-R287 VanDerWaalsContact C-N 3.33Å; F285-R287 PolarHBondContact O-N 2.94Å; R287-F294 HydrophobicContact CB-CD1 4.05Å; R287-F294 HydrophobicContact CB-CD2 4.04Å; R287-F294 HydrophobicContact CB-CE1 4.19Å; R287-F294 HydrophobicContact CB-CE2 4.17Å; R287-F294 HydrophobicContact CB-CG 3.98Å; R287-F294 HydrophobicContact CB-CZ 4.25Å; R287-F294 HydrophobicContact CG-CD1 4.27Å; R287-F294 HydrophobicContact CG-CE1 4.25Å; R287-F295 VanDerWaalsContact NH1-CZ 3.34Å
288S94.6Very high92.1Very high85 Ų8582 Ų8259%0.59444%0.442SS*.Hα-helixtrans-82.2-44.2-174.7-53.40000112.7I284 F285 A286I284-S288 PolarHBondContact O-N 3.49Å; I284-S288 PolarHBondContact O-OG 2.93Å; I284-S288 VanDerWaalsContact O-OG 3.04Å; F285-S288 PolarHBondContact O-N 3.35Å; A286-S288 PolarHBondContact O-N 3.34Å
289F96.8Very high92.3Very high144 Ų14480.1 Ų80.163%0.63243%0.433SS*.Hα-helixtrans-95.1-28.8-174.6-65.9-68.3000114F285F285-F289 HydrophobicContact CB-CD2 4.17Å; F285-F289 HydrophobicContact CB-CE2 4.41Å; F285-F289 HydrophobicContact CD1-CE2 4.06Å; F285-F289 VanDerWaalsContact O-CD2 3.3Å; F285-F289 WeakPolarHBondContact O-CD2 3.36Å; F285-F289 PolarHBondContact O-N 3.48Å
290F96.3Very high92.4Very high137 Ų13775.9 Ų75.960%0.60142%0.417SS*.  trans-133.957.9-175-53.8-73.9000111.6A286 N292 V293 F294A286-F290 CarbonylContact O-C 3.56Å; A286-F290 VanDerWaalsContact O-CA 3.27Å; A286-F290 WeakPolarHBondContact O-CA 3.1Å; A286-F290 PolarHBondContact O-N 3.37Å; F290-N292 VanDerWaalsContact C-N 3.3Å; F290-N292 PolarHBondContact O-N 2.88Å; F290-V293 HydrophobicContact CB-CB 4.19Å; F290-V293 HydrophobicContact CB-CG2 4.31Å; F290-V293 PolarHBondContact O-N 3.35Å; F290-V293 VanDerWaalsContact O-N 3.1Å; F290-F294 PolarHBondContact O-N 3.17Å
291P95.1Very high92.2Very high53 Ų5375.7 Ų75.734%0.34442%0.422SS..Hα-helixtrans-57.7-40.3-170.921.9-33.6000112.9V293 F294 F295P291-V293 PolarHBondContact O-N 3.41Å; P291-F294 PolarHBondContact O-N 3.16Å; P291-F295 HydrophobicContact CB-CD2 4.21Å; P291-F295 HydrophobicContact CB-CE2 4.02Å; P291-F295 WeakPolarHBondContact O-CD2 3.48Å; P291-F295 WeakPolarHBondContact O-CG 3.48Å; P291-F295 PolarHBondContact O-N 2.92Å
292N95.9Very high92Very high139 Ų13974.5 Ų74.574%0.74342%0.421SS*.Hα-helixtrans-60.9-43.5179-66.5-18.9000112.1F290 A296F290-N292 VanDerWaalsContact C-N 3.3Å; F290-N292 PolarHBondContact O-N 2.88Å; N292-A296 VanDerWaalsContact O-CB 3.26Å; N292-A296 WeakPolarHBondContact O-CB 3.44Å; N292-A296 PolarHBondContact O-N 2.93Å
293V93.4Very high91.2Very high92 Ų9275.9 Ų75.956%0.55842%0.424SS*.Hα-helixtrans-66.9-46.5177.7179.80000109.9F290 P291 F295 A296 V297F290-V293 HydrophobicContact CB-CB 4.19Å; F290-V293 HydrophobicContact CB-CG2 4.31Å; F290-V293 PolarHBondContact O-N 3.35Å; F290-V293 VanDerWaalsContact O-N 3.1Å; P291-V293 PolarHBondContact O-N 3.41Å; V293-F295 PolarHBondContact O-N 3.01Å; V293-A296 PolarHBondContact O-N 2.82Å; V293-V297 WeakPolarHBondContact O-CG2 3.24Å; V293-V297 PolarHBondContact O-N 2.9Å
294F93.4Very high90.2Very high13 Ų1380.1 Ų80.16%0.05744%0.442CS..Hα-helixtrans-55.7-54.3177.3174.6-93.4000111.2A283 A286 R287 F290 P291 A296 V297 M298A283-F294 HydrophobicContact CB-CE2 4.23Å; A286-F294 HydrophobicContact CB-CD2 4.44Å; R287-F294 HydrophobicContact CB-CD1 4.05Å; R287-F294 HydrophobicContact CB-CD2 4.04Å; R287-F294 HydrophobicContact CB-CE1 4.19Å; R287-F294 HydrophobicContact CB-CE2 4.17Å; R287-F294 HydrophobicContact CB-CG 3.98Å; R287-F294 HydrophobicContact CB-CZ 4.25Å; R287-F294 HydrophobicContact CG-CD1 4.27Å; R287-F294 HydrophobicContact CG-CE1 4.25Å; F290-F294 PolarHBondContact O-N 3.17Å; P291-F294 PolarHBondContact O-N 3.16Å; F294-A296 VanDerWaalsContact C-N 3.33Å; F294-A296 PolarHBondContact O-N 2.93Å; F294-V297 PolarHBondContact O-N 3.39Å; F294-M298 HydrophobicContact CD1-CG 4.24Å; F294-M298 HydrophobicContact CE1-CG 3.85Å; F294-M298 HydrophobicContact CE2-CG 4.19Å; F294-M298 HydrophobicContact CE2-SD 4.38Å; F294-M298 HydrophobicContact CZ-CE 4.04Å; F294-M298 HydrophobicContact CZ-CG 3.82Å; F294-M298 HydrophobicContact CZ-SD 4.25Å; F294-M298 VanDerWaalsContact O-CG 3.24Å; F294-M298 WeakPolarHBondContact O-CG 3.46Å; F294-M298 PolarHBondContact O-N 3.32Å
295F93.5Very high88.9Confident105 Ų10581.7 Ų81.746%0.46146%0.455SS..Hα-helixtrans-66.7-32.4-178.1-68-58000113R287 P291 V293 M298 A299R287-F295 VanDerWaalsContact NH1-CZ 3.34Å; P291-F295 HydrophobicContact CB-CD2 4.21Å; P291-F295 HydrophobicContact CB-CE2 4.02Å; P291-F295 WeakPolarHBondContact O-CD2 3.48Å; P291-F295 WeakPolarHBondContact O-CG 3.48Å; P291-F295 PolarHBondContact O-N 2.92Å; V293-F295 PolarHBondContact O-N 3.01Å; F295-M298 PolarHBondContact O-N 3.07Å; F295-A299 WeakPolarHBondContact O-CB 3.15Å; F295-A299 PolarHBondContact O-N 3.21Å
296A92.3Very high87.3Confident62 Ų6277.9 Ų77.951%0.51245%0.448SS..Hα-helixtrans-63.2-45172.500000112.1N292 V293 F294 M298 A299 A300N292-A296 VanDerWaalsContact O-CB 3.26Å; N292-A296 WeakPolarHBondContact O-CB 3.44Å; N292-A296 PolarHBondContact O-N 2.93Å; V293-A296 PolarHBondContact O-N 2.82Å; F294-A296 VanDerWaalsContact C-N 3.33Å; F294-A296 PolarHBondContact O-N 2.93Å; A296-M298 VanDerWaalsContact C-N 3.34Å; A296-M298 PolarHBondContact O-N 3.19Å; A296-A299 PolarHBondContact O-N 3.29Å; A296-A300 WeakPolarHBondContact O-CB 3.23Å; A296-A300 PolarHBondContact O-N 3.35Å
297V90.2Very high85.3Confident93 Ų9379.3 Ų79.356%0.56446%0.459SS*.Hα-helixtrans-61.7-43175.6171.30000110.9V293 F294 A300 G301V293-V297 WeakPolarHBondContact O-CG2 3.24Å; V293-V297 PolarHBondContact O-N 2.9Å; F294-V297 PolarHBondContact O-N 3.39Å; V297-A300 PolarHBondContact O-N 3.4Å; V297-G301 PolarHBondContact O-N 3.16Å
298M90.4Very high83.3Confident42 Ų4279 Ų7921%0.20747%0.47CS..Hα-helixtrans-65.2-41.2179-63.5-58.5-92.200112.1A187 V188 P189 F294 F295 A296 G301 V302A187-M298 WeakPolarHBondContact O-CE 3.44Å; V188-M298 VanDerWaalsContact CA-CE 3.49Å; V188-M298 HydrophobicContact CB-CE 3.72Å; V188-M298 HydrophobicContact CG1-CE 3.63Å; P189-M298 HydrophobicContact CG-CE 4.46Å; F294-M298 HydrophobicContact CD1-CG 4.24Å; F294-M298 HydrophobicContact CE1-CG 3.85Å; F294-M298 HydrophobicContact CE2-CG 4.19Å; F294-M298 HydrophobicContact CE2-SD 4.38Å; F294-M298 HydrophobicContact CZ-CE 4.04Å; F294-M298 HydrophobicContact CZ-CG 3.82Å; F294-M298 HydrophobicContact CZ-SD 4.25Å; F294-M298 VanDerWaalsContact O-CG 3.24Å; F294-M298 WeakPolarHBondContact O-CG 3.46Å; F294-M298 PolarHBondContact O-N 3.32Å; F295-M298 PolarHBondContact O-N 3.07Å; A296-M298 VanDerWaalsContact C-N 3.34Å; A296-M298 PolarHBondContact O-N 3.19Å; M298-G301 PolarHBondContact O-N 3.02Å; M298-V302 PolarHBondContact O-N 3.24Å
299A90Very high81.3Confident55 Ų5582.7 Ų82.746%0.45548%0.477SS..Hα-helixtrans-65.7-40.2175.200000112.3F295 A296 G301 V302 K303F295-A299 WeakPolarHBondContact O-CB 3.15Å; F295-A299 PolarHBondContact O-N 3.21Å; A296-A299 PolarHBondContact O-N 3.29Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.11Å; A299-V302 PolarHBondContact O-N 3.38Å; A299-K303 PolarHBondContact O-N 3.39Å
300A88Confident78.8Confident47 Ų4782.7 Ų82.739%0.38848%0.484SS..Hα-helixtrans-63.2-38.8174.800000112A296 V297 V302 K303 N304A296-A300 WeakPolarHBondContact O-CB 3.23Å; A296-A300 PolarHBondContact O-N 3.35Å; V297-A300 PolarHBondContact O-N 3.4Å; A300-V302 VanDerWaalsContact C-N 3.31Å; A300-V302 PolarHBondContact O-N 3.47Å; A300-K303 PolarHBondContact O-N 3.25Å; A300-N304 PolarHBondContact O-N 3.28Å
301G82.8Confident76.1Confident35 Ų3587 Ų8736%0.36151%0.509SS..Hα-helixtrans-57.8-40.6175.800000113.3V297 M298 A299 N304 S305V297-G301 PolarHBondContact O-N 3.16Å; M298-G301 PolarHBondContact O-N 3.02Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.11Å; G301-N304 PolarHBondContact O-N 3.17Å; G301-S305 PolarHBondContact O-N 2.84Å; G301-S305 VanDerWaalsContact O-N 3.16Å; G301-S305 PolarHBondContact O-OG 3.06Å
302V83.6Confident75.1Confident50 Ų5088.8 Ų88.830%0.30352%0.517SS..Hα-helixtrans-63.1-45.1176.6174.20000111.7P189 F190 M298 A299 A300 N304 S305 A306P189-V302 HydrophobicContact CB-CG2 3.41Å; P189-V302 VanDerWaalsContact CB-CG2 3.41Å; P189-V302 HydrophobicContact CG-CG2 3.47Å; P189-V302 VanDerWaalsContact CG-CG2 3.47Å; F190-V302 HydrophobicContact CE2-CG1 4.47Å; F190-V302 HydrophobicContact CE2-CG2 4.18Å; F190-V302 HydrophobicContact CZ-CG1 3.88Å; F190-V302 HydrophobicContact CZ-CG2 4.32Å; M298-V302 PolarHBondContact O-N 3.24Å; A299-V302 PolarHBondContact O-N 3.38Å; A300-V302 VanDerWaalsContact C-N 3.31Å; A300-V302 PolarHBondContact O-N 3.47Å; V302-N304 VanDerWaalsContact C-N 3.31Å; V302-N304 PolarHBondContact O-N 3.33Å; V302-S305 PolarHBondContact O-N 2.84Å; V302-A306 PolarHBondContact O-N 3.4Å
303K74.7Confident74Confident157 Ų15786.1 Ų86.168%0.68351%0.505SS*.Hα-helixtrans-60.1-41.8-179.6-67.5179.8179.7-177.20111.8A299 A300 A306 A307A299-K303 PolarHBondContact O-N 3.39Å; A300-K303 PolarHBondContact O-N 3.25Å; K303-A306 PolarHBondContact O-N 2.81Å; K303-A307 PolarHBondContact O-N 3.33Å
304N69.4Low73Confident116 Ų11685.8 Ų85.862%0.6250%0.502SS*.Hα-helixtrans-69.7-37.2179.6-68.3-11.7000112.4A300 G301 V302 A307 S308A300-N304 PolarHBondContact O-N 3.28Å; G301-N304 PolarHBondContact O-N 3.17Å; V302-N304 VanDerWaalsContact C-N 3.31Å; V302-N304 PolarHBondContact O-N 3.33Å; N304-A307 PolarHBondContact O-N 3.44Å; N304-S308 PolarHBondContact O-N 3.48Å; N304-S308 VanDerWaalsContact O-N 3.11Å; N304-S308 PolarHBondContact O-OG 3.11Å
305S65Low71.7Confident54 Ų5490.1 Ų90.138%0.37853%0.528SS..Hα-helixtrans-67-40.9175.2-63.60000112.5G301 V302 A307 S308 E309G301-S305 PolarHBondContact O-N 2.84Å; G301-S305 VanDerWaalsContact O-N 3.16Å; G301-S305 PolarHBondContact O-OG 3.06Å; V302-S305 PolarHBondContact O-N 2.84Å; S305-A307 VanDerWaalsContact C-N 3.29Å; S305-A307 PolarHBondContact O-N 3.37Å; S305-S308 WeakPolarHBondContact CA-OG 3.43Å; S305-S308 PolarHBondContact O-N 2.82Å; S305-S308 PolarHBondContact O-OG 3.21Å; S305-E309 PolarHBondContact O-N 3.24Å
306A61.3Low70.4Confident47 Ų4789.1 Ų89.139%0.38853%0.533SS..Hα-helixtrans-64.6-33.8174.500000112.2V302 K303 N310V302-A306 PolarHBondContact O-N 3.4Å; K303-A306 PolarHBondContact O-N 2.81Å; A306-N310 PolarHBondContact O-ND2 3.49Å
307A51.2Low68.9Low59 Ų5990.9 Ų90.949%0.48853%0.534SS..Hα-helixtrans-68.7-35.3174.700000112.6K303 N304 S305K303-A307 PolarHBondContact O-N 3.33Å; N304-A307 PolarHBondContact O-N 3.44Å; S305-A307 VanDerWaalsContact C-N 3.29Å; S305-A307 PolarHBondContact O-N 3.37Å
308S52Low67.4Low75 Ų7590.8 Ų90.852%0.52453%0.532SS..Hα-helixtrans-77-21.8179.258.50000115.2N304 S305 N310N304-S308 PolarHBondContact O-N 3.48Å; N304-S308 VanDerWaalsContact O-N 3.11Å; N304-S308 PolarHBondContact O-OG 3.11Å; S305-S308 WeakPolarHBondContact CA-OG 3.43Å; S305-S308 PolarHBondContact O-N 2.82Å; S305-S308 PolarHBondContact O-OG 3.21Å; S308-N310 VanDerWaalsContact C-N 3.32Å
309E51.9Low65.6Low162 Ų16294.5 Ų94.576%0.75756%0.557SS**THydrogen-bonded Turntrans-82.4-11.7174.9-76.5177175.700112.7S305S305-E309 PolarHBondContact O-N 3.24Å
310N44.8Very low63.6Low144 Ų14497.8 Ų97.877%0.7757%0.565SS**THydrogen-bonded Turntrans-104.28.8179.4-70.3-51.1000113.7A306 S308A306-N310 PolarHBondContact O-ND2 3.49Å; S308-N310 VanDerWaalsContact C-N 3.32Å
311M38.7Very low61.4Low228 Ų228102.5 Ų102.5100%1.12358%0.581SS**  trans-111.50170.8-87.8178.669.900109.8

Retrieved 311 of 311 residues in 588.1 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).