A0A3Q0KM39_SCHMA Loading...

UTP--glucose-1-phosphate uridylyltransferase

UTP--glucose-1-phosphate uridylyltransferase catalyzing the conversion of glucose-1-phosphate into UDP-glucose, a crucial precursor for the production of glycogen.

AlphaFold DB , UniProt , Accession A0A3Q0KM39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 514 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low60.1Low194 Ų194107.9 Ų107.996%0.95659%0.589SS**  0-8.10-63.5-57.617500116.4S3M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.28Å
2P46.9Very low61.2Low114 Ų114106.4 Ų106.474%0.7458%0.579SS**  trans-76.1-9.4170.9-923.8000115.3
3S55.2Low62.3Low77 Ų77103.2 Ų103.254%0.53857%0.565SS.*Hα-helixtrans-74.1-36.5-175.551.90000113.7M1 S6 S7M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.28Å; S3-S6 PolarHBondContact O-N 3.36Å; S3-S7 PolarHBondContact O-N 2.79Å
4D57.9Low63.4Low102 Ų10299.1 Ų99.155%0.54554%0.542SS..Hα-helixtrans-75.2-36.3-169.2-75.2-1.2000113.1S7 L8D4-S7 PolarHBondContact O-OG 3.08Å; D4-L8 VanDerWaalsContact O-CB 3.28Å; D4-L8 WeakPolarHBondContact O-CB 3.19Å; D4-L8 PolarHBondContact O-N 3.22Å
5T57.8Low64.5Low103 Ų10399.4 Ų99.463%0.63254%0.536SS*.Hα-helixtrans-70.4-35.6176.1300000112.2F9T5-F9 WeakPolarHBondContact O-CB 3.44Å; T5-F9 PolarHBondContact O-N 3.12Å; T5-F9 VanDerWaalsContact O-N 3.07Å
6S62Low65.8Low66 Ų6699.1 Ų99.146%0.46253%0.534SS..Hα-helixtrans-69.4-39.5175.2-173.60000112S3 K10S3-S6 PolarHBondContact O-N 3.36Å; S6-K10 WeakPolarHBondContact O-CG 3.2Å; S6-K10 PolarHBondContact O-N 3.39Å; S6-K10 VanDerWaalsContact O-N 3.14Å
7S65.4Low67Low66 Ų6694.9 Ų94.946%0.46252%0.516SS..Hα-helixtrans-68.4-42.8176.983.50000111.4S3 D4 F9 K10 E11S3-S7 PolarHBondContact O-N 2.79Å; D4-S7 PolarHBondContact O-OG 3.08Å; S7-F9 PolarHBondContact O-N 3.1Å; S7-K10 PolarHBondContact O-N 3.27Å; S7-E11 PolarHBondContact O-N 3.31Å
8L69.7Low68.2Low99 Ų9992.2 Ų92.252%0.51850%0.499SS..Hα-helixtrans-62.5-42.3178.2-16777.8000111.9D4 E11 L12D4-L8 VanDerWaalsContact O-CB 3.28Å; D4-L8 WeakPolarHBondContact O-CB 3.19Å; D4-L8 PolarHBondContact O-N 3.22Å; L8-E11 PolarHBondContact O-N 3.16Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.07Å
9F68.2Low69.4Low143 Ų14395 Ų9563%0.62751%0.506SS*.Hα-helixtrans-63.4-42.1176.6-177.3-95.2000112.1T5 S7 E11 L12 T13T5-F9 WeakPolarHBondContact O-CB 3.44Å; T5-F9 PolarHBondContact O-N 3.12Å; T5-F9 VanDerWaalsContact O-N 3.07Å; S7-F9 PolarHBondContact O-N 3.1Å; F9-E11 VanDerWaalsContact C-N 3.35Å; F9-L12 PolarHBondContact O-N 3.14Å; F9-T13 HydrophobicContact CD1-CG2 4.4Å; F9-T13 HydrophobicContact CE1-CG2 3.9Å; F9-T13 HydrophobicContact CE2-CG2 4.47Å; F9-T13 HydrophobicContact CZ-CG2 3.94Å; F9-T13 PolarHBondContact O-N 3.16Å; F9-T13 PolarHBondContact O-OG1 3.26Å
10K66.7Low70.6Confident127 Ų12792.4 Ų92.455%0.55250%0.499SS*.Hα-helixtrans-60.8-45.2172.8-77.1178.5179.9177.50110.9S6 S7 L12 T13 L14S6-K10 WeakPolarHBondContact O-CG 3.2Å; S6-K10 PolarHBondContact O-N 3.39Å; S6-K10 VanDerWaalsContact O-N 3.14Å; S7-K10 PolarHBondContact O-N 3.27Å; K10-L12 PolarHBondContact O-N 3.47Å; K10-T13 WeakPolarHBondContact CA-OG1 3.41Å; K10-T13 PolarHBondContact O-N 3.42Å; K10-T13 PolarHBondContact O-OG1 2.84Å; K10-L14 WeakPolarHBondContact O-CG 3Å; K10-L14 PolarHBondContact O-N 3.32Å
11E71.2Confident71.7Confident96 Ų9688 Ų8845%0.44948%0.475SS..Hα-helixtrans-64.1-40-179.2-151.7-167145.700112.6S7 L8 F9 L14 K15S7-E11 PolarHBondContact O-N 3.31Å; L8-E11 PolarHBondContact O-N 3.16Å; F9-E11 VanDerWaalsContact C-N 3.35Å; E11-L14 PolarHBondContact O-N 3.41Å; E11-K15 PolarHBondContact O-N 2.99Å; E11-K15 VanDerWaalsContact O-N 3.08Å; E11-K15 IonicContact OE1-NZ 3.84Å; E11-K15 PolarHBondContact OE1-NZ 3.26Å
12L73.8Confident74.2Confident90 Ų9079.5 Ų79.547%0.47144%0.436SS..Hα-helixtrans-64.5-46.6175.5-75.9165000111.9L8 F9 K10 L14 K15 D16L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.07Å; F9-L12 PolarHBondContact O-N 3.14Å; K10-L12 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 2.65Å; L12-K15 PolarHBondContact O-N 2.85Å; L12-K15 VanDerWaalsContact O-N 3.16Å; L12-D16 PolarHBondContact O-N 2.84Å
13T75Confident76.4Confident64 Ų6476.6 Ų76.639%0.39342%0.421SS..Hα-helixtrans-63.5-34.5177.742.30000112.7F9 K10 A17F9-T13 HydrophobicContact CD1-CG2 4.4Å; F9-T13 HydrophobicContact CE1-CG2 3.9Å; F9-T13 HydrophobicContact CE2-CG2 4.47Å; F9-T13 HydrophobicContact CZ-CG2 3.94Å; F9-T13 PolarHBondContact O-N 3.16Å; F9-T13 PolarHBondContact O-OG1 3.26Å; K10-T13 WeakPolarHBondContact CA-OG1 3.41Å; K10-T13 PolarHBondContact O-N 3.42Å; K10-T13 PolarHBondContact O-OG1 2.84Å; T13-A17 PolarHBondContact O-N 3.03Å; T13-A17 VanDerWaalsContact O-N 3.09Å
14L77.1Confident78.3Confident47 Ų4774.6 Ų74.625%0.24641%0.405CS..Hα-helixtrans-65.3-43.6172.6-65.2171.1000111.7K10 E11 L12 D16 A17 E18 L57K10-L14 WeakPolarHBondContact O-CG 3Å; K10-L14 PolarHBondContact O-N 3.32Å; E11-L14 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 2.65Å; L14-D16 VanDerWaalsContact C-N 3.33Å; L14-D16 PolarHBondContact O-N 3.47Å; L14-A17 PolarHBondContact O-N 3.28Å; L14-E18 PolarHBondContact O-N 3.24Å; L14-L57 HydrophobicContact CB-CD1 4.42Å; L14-L57 HydrophobicContact CD2-CB 3.95Å; L14-L57 HydrophobicContact CD2-CD1 4.44Å; L14-L57 HydrophobicContact CD2-CD2 3.73Å; L14-L57 HydrophobicContact CD2-CG 4.22Å; L14-L57 WeakPolarHBondContact O-CD1 3.33Å
15K81Confident80Confident103 Ų10370 Ų7045%0.44838%0.38SS..Hα-helixtrans-63.7-38.1177.3-78.7178.3-177.8161.70112.4E11 L12 E18 K19E11-K15 PolarHBondContact O-N 2.99Å; E11-K15 VanDerWaalsContact O-N 3.08Å; E11-K15 IonicContact OE1-NZ 3.84Å; E11-K15 PolarHBondContact OE1-NZ 3.26Å; L12-K15 PolarHBondContact O-N 2.85Å; L12-K15 VanDerWaalsContact O-N 3.16Å; K15-E18 PolarHBondContact O-N 2.96Å; K15-K19 WeakPolarHBondContact O-CG 3.23Å; K15-K19 PolarHBondContact O-N 2.96Å
16D85Confident81.7Confident95 Ų9569.9 Ų69.951%0.50838%0.375SS..Hα-helixtrans-67.9-40.8177.3-71.3-20.2000111.5L12 L14 K19 A20L12-D16 PolarHBondContact O-N 2.84Å; L14-D16 VanDerWaalsContact C-N 3.33Å; L14-D16 PolarHBondContact O-N 3.47Å; D16-K19 PolarHBondContact O-N 3Å; D16-A20 WeakPolarHBondContact O-CB 3.31Å; D16-A20 PolarHBondContact O-N 2.85Å
17A85.8Confident83.2Confident27 Ų2771.9 Ų71.922%0.22338%0.38CS..Hα-helixtrans-61.5-42.9173.400000112.2T13 L14 K19 A20 L21 L57T13-A17 PolarHBondContact O-N 3.03Å; T13-A17 VanDerWaalsContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 3.28Å; A17-K19 PolarHBondContact O-N 3.1Å; A17-A20 PolarHBondContact O-N 3.28Å; A17-L21 WeakPolarHBondContact O-CB 3.31Å; A17-L21 PolarHBondContact O-N 2.87Å; A17-L57 HydrophobicContact CB-CD1 4.46Å
18E89.1Confident84.5Confident46 Ų4668.9 Ų68.922%0.21536%0.359CS..Hα-helixtrans-61.7-43.2176-170.7-170.3156.200111.9L14 K15 A22 L57L14-E18 PolarHBondContact O-N 3.24Å; K15-E18 PolarHBondContact O-N 2.96Å; E18-A22 WeakPolarHBondContact O-CB 3.46Å; E18-A22 PolarHBondContact O-N 3.17Å; E18-L57 HydrophobicContact CB-CD1 4.3Å
19K91.2Very high85.6Confident146 Ų14664.9 Ų64.964%0.63534%0.339SS*.Hα-helixtrans-65.6-44.1177.3-77.3-180-178.4175.50112.2K15 D16 A17 A22 A23K15-K19 WeakPolarHBondContact O-CG 3.23Å; K15-K19 PolarHBondContact O-N 2.96Å; D16-K19 PolarHBondContact O-N 3Å; A17-K19 PolarHBondContact O-N 3.1Å; K19-A22 PolarHBondContact O-N 2.98Å; K19-A23 PolarHBondContact O-N 2.92Å; K19-A23 VanDerWaalsContact O-N 3.07Å
20A92.6Very high86.7Confident43 Ų4363.3 Ų63.336%0.35534%0.337SS..Hα-helixtrans-63-44.1178.800000111.1D16 A17 A22 A23 D24 L193D16-A20 WeakPolarHBondContact O-CB 3.31Å; D16-A20 PolarHBondContact O-N 2.85Å; A17-A20 PolarHBondContact O-N 3.28Å; A20-A22 PolarHBondContact O-N 3.09Å; A20-A23 PolarHBondContact O-N 3.39Å; A20-D24 PolarHBondContact O-N 3.26Å; A20-L193 HydrophobicContact CB-CD2 3.89Å
21L93.4Very high87.8Confident0 Ų060.4 Ų60.40%033%0.33CS..Hα-helixtrans-57.5-49.2173.3-173.684.7000110.8A17 A23 D24 L25 F49 F53 L187 P194A17-L21 WeakPolarHBondContact O-CB 3.31Å; A17-L21 PolarHBondContact O-N 2.87Å; L21-A23 VanDerWaalsContact C-N 3.29Å; L21-A23 PolarHBondContact O-N 3.5Å; L21-D24 PolarHBondContact O-N 2.95Å; L21-L25 HydrophobicContact CD2-CD1 4.13Å; L21-L25 HydrophobicContact CG-CD1 4.18Å; L21-L25 HydrophobicContact CG-CG 4.29Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.73Å; L21-F49 HydrophobicContact CD1-CE1 4.32Å; L21-F49 HydrophobicContact CD2-CE1 4.34Å; L21-F53 HydrophobicContact CB-CD1 4.26Å; L21-F53 HydrophobicContact CB-CE1 4.05Å; L21-F53 HydrophobicContact CD2-CB 3.56Å; L21-F53 HydrophobicContact CD2-CD1 3.3Å; L21-F53 HydrophobicContact CD2-CD2 4.13Å; L21-F53 HydrophobicContact CD2-CE1 3.92Å; L21-F53 HydrophobicContact CD2-CG 3.41Å; L21-F53 VanDerWaalsContact CD2-CG 3.41Å; L21-F53 HydrophobicContact CG-CD1 4.25Å; L21-F53 HydrophobicContact CG-CE1 4.4Å; L21-L187 HydrophobicContact CD1-CD2 3.62Å; L21-P194 HydrophobicContact CD1-CG 3.89Å
22A93.6Very high88.6Confident16 Ų1656.1 Ų56.113%0.13231%0.31CS..Hα-helixtrans-58-41.4-178.100000112.5E18 K19 A20 L25 D26 K50E18-A22 WeakPolarHBondContact O-CB 3.46Å; E18-A22 PolarHBondContact O-N 3.17Å; K19-A22 PolarHBondContact O-N 2.98Å; A20-A22 PolarHBondContact O-N 3.09Å; A22-L25 PolarHBondContact O-N 3Å; A22-D26 PolarHBondContact O-N 2.92Å; A22-K50 HydrophobicContact CB-CD 4.21Å
23A93.9Very high89.2Confident52 Ų5255.7 Ų55.743%0.4331%0.312SS..Hα-helixtrans-62.8-43.5176.900000112.4K19 A20 L21 D26 L27K19-A23 PolarHBondContact O-N 2.92Å; K19-A23 VanDerWaalsContact O-N 3.07Å; A20-A23 PolarHBondContact O-N 3.39Å; L21-A23 VanDerWaalsContact C-N 3.29Å; L21-A23 PolarHBondContact O-N 3.5Å; A23-D26 PolarHBondContact O-N 3.42Å; A23-L27 WeakPolarHBondContact O-CG 3.31Å; A23-L27 PolarHBondContact O-N 3.08Å; A23-L27 VanDerWaalsContact O-N 3.08Å
24D93.8Very high89.7Confident36 Ų3659.4 Ų59.419%0.19333%0.33CS..Hα-helixtrans-66.4-36.2177-91.228.3000112A20 L21 L27 L28 P194 K197A20-D24 PolarHBondContact O-N 3.26Å; L21-D24 PolarHBondContact O-N 2.95Å; D24-L27 WeakPolarHBondContact O-CB 3.43Å; D24-L27 PolarHBondContact O-N 3.42Å; D24-L28 WeakPolarHBondContact O-CG 3.18Å; D24-L28 PolarHBondContact O-N 3.29Å; D24-P194 HydrophobicContact CB-CG 4.07Å; D24-K197 IonicContact OD2-NZ 3.19Å
25L94.1Very high90.1Very high5 Ų562.6 Ų62.63%0.02636%0.356CS..Hα-helixtrans-66.4-38.7174.3-63.9-178000112.1L21 A22 L27 L28 V29 M46 F49 K50 P185 P194L21-L25 HydrophobicContact CD2-CD1 4.13Å; L21-L25 HydrophobicContact CG-CD1 4.18Å; L21-L25 HydrophobicContact CG-CG 4.29Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.73Å; A22-L25 PolarHBondContact O-N 3Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L27 PolarHBondContact O-N 3Å; L25-L28 HydrophobicContact CD2-CD1 4.12Å; L25-L28 WeakPolarHBondContact O-CB 3.33Å; L25-L28 PolarHBondContact O-N 3.08Å; L25-V29 WeakPolarHBondContact O-CG2 3.27Å; L25-V29 PolarHBondContact O-N 3.29Å; L25-M46 HydrophobicContact CD2-SD 3.87Å; L25-F49 HydrophobicContact CD1-CD1 3.97Å; L25-F49 HydrophobicContact CD2-CD1 3.96Å; L25-F49 HydrophobicContact CD2-CE1 4.24Å; L25-K50 HydrophobicContact CD1-CB 4.18Å; L25-P185 HydrophobicContact CD2-CG 3.98Å; L25-P194 HydrophobicContact CD2-CG 3.93Å
26D93.3Very high90.2Very high100 Ų10058.9 Ų58.954%0.53534%0.343SS..Hα-helixtrans-64.2-38.5175.3-73.4-25.5000111.3A22 A23 V29 N30A22-D26 PolarHBondContact O-N 2.92Å; A23-D26 PolarHBondContact O-N 3.42Å; D26-V29 PolarHBondContact O-N 2.94Å; D26-N30 WeakPolarHBondContact O-CB 3.12Å; D26-N30 PolarHBondContact O-N 3.42Å; D26-N30 PolarHBondContact O-ND2 3.38Å; D26-N30 VanDerWaalsContact O-ND2 3.1Å
27L93.7Very high90.1Very high109 Ų10959 Ų5957%0.57135%0.349SS*.Hα-helixtrans-60.2-44.9172-70.5172.2000111.4A23 D24 L25 V29 N30 T31A23-L27 WeakPolarHBondContact O-CG 3.31Å; A23-L27 PolarHBondContact O-N 3.08Å; A23-L27 VanDerWaalsContact O-N 3.08Å; D24-L27 WeakPolarHBondContact O-CB 3.43Å; D24-L27 PolarHBondContact O-N 3.42Å; L25-L27 VanDerWaalsContact C-N 3.32Å; L25-L27 PolarHBondContact O-N 3Å; L27-V29 PolarHBondContact O-N 3.2Å; L27-N30 PolarHBondContact O-N 3.24Å; L27-N30 VanDerWaalsContact O-N 3.16Å; L27-T31 WeakPolarHBondContact O-CG2 3.43Å; L27-T31 PolarHBondContact O-N 3.09Å
28L92.8Very high90Very high3 Ų359.8 Ų59.82%0.01635%0.348CS..Hα-helixtrans-59.4-45.9175.4-71.7172.9000111.8D24 L25 N30 T31 F42 P185 P194 A196 W221D24-L28 WeakPolarHBondContact O-CG 3.18Å; D24-L28 PolarHBondContact O-N 3.29Å; L25-L28 HydrophobicContact CD2-CD1 4.12Å; L25-L28 WeakPolarHBondContact O-CB 3.33Å; L25-L28 PolarHBondContact O-N 3.08Å; L28-N30 PolarHBondContact O-N 3Å; L28-T31 WeakPolarHBondContact O-CB 3.13Å; L28-T31 PolarHBondContact O-N 2.93Å; L28-T31 VanDerWaalsContact O-N 3.12Å; L28-T31 PolarHBondContact O-OG1 3.33Å; L28-F42 HydrophobicContact CB-CE1 4.29Å; L28-F42 HydrophobicContact CB-CZ 4.43Å; L28-P185 HydrophobicContact CD1-CB 4.49Å; L28-P185 HydrophobicContact CD1-CG 4.49Å; L28-P194 HydrophobicContact CD1-CB 4.18Å; L28-A196 HydrophobicContact CD1-CB 4.49Å; L28-A196 HydrophobicContact CD2-CB 4.2Å; L28-W221 HydrophobicContact CD1-CH2 4.21Å
29V92.4Very high90Very high14 Ų1458.5 Ų58.59%0.08534%0.342CS..Hα-helixtrans-59.4-37.5176.5168.70000111.6L25 D26 L27 T31 I32 K39 F42 I43 M46L25-V29 WeakPolarHBondContact O-CG2 3.27Å; L25-V29 PolarHBondContact O-N 3.29Å; D26-V29 PolarHBondContact O-N 2.94Å; L27-V29 PolarHBondContact O-N 3.2Å; V29-T31 PolarHBondContact O-N 3.12Å; V29-I32 PolarHBondContact O-N 2.94Å; V29-K39 VanDerWaalsContact O-CE 3.26Å; V29-K39 WeakPolarHBondContact O-CE 3.4Å; V29-K39 PolarHBondContact O-NZ 3.4Å; V29-F42 HydrophobicContact CG2-CD1 3.97Å; V29-F42 HydrophobicContact CG2-CE1 4.02Å; V29-I43 HydrophobicContact CG1-CD1 3.99Å; V29-I43 HydrophobicContact CG1-CG1 3.54Å; V29-I43 HydrophobicContact CG2-CG1 4.1Å; V29-M46 HydrophobicContact CG2-CB 4.36Å; V29-M46 HydrophobicContact CG2-CG 3.97Å
30N92.1Very high89.9Confident111 Ų11159.2 Ų59.259%0.59435%0.345SS*.Hα-helixtrans-70.4-18.9179.7-72.4-29.9000113.5D26 L27 L28 I32D26-N30 WeakPolarHBondContact O-CB 3.12Å; D26-N30 PolarHBondContact O-N 3.42Å; D26-N30 PolarHBondContact O-ND2 3.38Å; D26-N30 VanDerWaalsContact O-ND2 3.1Å; L27-N30 PolarHBondContact O-N 3.24Å; L27-N30 VanDerWaalsContact O-N 3.16Å; L28-N30 PolarHBondContact O-N 3Å; N30-I32 PolarHBondContact O-N 2.98Å
31T90.2Very high89.7Confident66 Ų6659.7 Ų59.741%0.40535%0.349SS..THydrogen-bonded Turntrans-68.6-18.7171.969.10000113.3L27 L28 V29 C198 A199L27-T31 WeakPolarHBondContact O-CG2 3.43Å; L27-T31 PolarHBondContact O-N 3.09Å; L28-T31 WeakPolarHBondContact O-CB 3.13Å; L28-T31 PolarHBondContact O-N 2.93Å; L28-T31 VanDerWaalsContact O-N 3.12Å; L28-T31 PolarHBondContact O-OG1 3.33Å; V29-T31 PolarHBondContact O-N 3.12Å; T31-C198 HydrophobicContact CG2-CB 4.2Å; T31-A199 PolarHBondContact OG1-N 3.45Å; T31-A199 VanDerWaalsContact OG1-N 3.09Å
32I87.5Confident89.6Confident5 Ų559.8 Ų59.83%0.02635%0.35CS..SBendtrans-89.1127.1176.5-52.5176.3000109.7V29 N30 K39 F42 A199 M214V29-I32 PolarHBondContact O-N 2.94Å; N30-I32 PolarHBondContact O-N 2.98Å; I32-K39 HydrophobicContact CB-CB 4.34Å; I32-K39 HydrophobicContact CB-CD 4.27Å; I32-K39 HydrophobicContact CB-CG 4.14Å; I32-K39 HydrophobicContact CG2-CB 3.71Å; I32-K39 HydrophobicContact CG2-CD 4.33Å; I32-K39 HydrophobicContact CG2-CG 4.07Å; I32-K39 WeakPolarHBondContact O-CD 3.3Å; I32-K39 WeakPolarHBondContact O-CE 3.39Å; I32-K39 PolarHBondContact O-NZ 2.86Å; I32-F42 HydrophobicContact CD1-CB 3.56Å; I32-F42 HydrophobicContact CD1-CD1 3.3Å; I32-F42 HydrophobicContact CD1-CD2 4.09Å; I32-F42 HydrophobicContact CD1-CE1 3.93Å; I32-F42 HydrophobicContact CD1-CG 3.37Å; I32-F42 HydrophobicContact CG1-CD1 4.45Å; I32-A199 HydrophobicContact CD1-CB 3.69Å; I32-A199 HydrophobicContact CG1-CB 3.57Å; I32-M214 HydrophobicContact CB-CE 4.42Å; I32-M214 HydrophobicContact CD1-CE 3.4Å; I32-M214 HydrophobicContact CG1-CE 3.63Å; I32-M214 HydrophobicContact CG2-CE 3.94Å
33P86.6Confident89.5Confident81 Ų8162 Ų6253%0.52636%0.358SS..  trans-57.3141175.1-25.134000112.7S35 S36P33-S35 PolarHBondContact O-N 3.35Å; P33-S35 VanDerWaalsContact O-N 3.16Å; P33-S36 WeakPolarHBondContact O-CB 3.49Å; P33-S36 PolarHBondContact O-N 2.87Å
34N86Confident89.4Confident143 Ų14363.9 Ų63.977%0.76536%0.361SS*.THydrogen-bonded Turntrans-61.6-23.4178.7-71.9-23.1000113.7S36 K39N34-S36 VanDerWaalsContact C-N 3.29Å; N34-K39 WeakPolarHBondContact OD1-CE 3.48Å; N34-K39 PolarHBondContact OD1-NZ 3.41Å
35S84.1Confident89.3Confident113 Ų11364 Ų6479%0.7936%0.36SS*.THydrogen-bonded Turntrans-76.5-13.8175.152.40000113.5P33P33-S35 PolarHBondContact O-N 3.35Å; P33-S35 VanDerWaalsContact O-N 3.16Å
36S84.1Confident89.4Confident26 Ų2664.1 Ų64.118%0.18236%0.361CS..  trans-74.3126-178.3179.80000110.9P33 N34 E38 K39P33-S36 WeakPolarHBondContact O-CB 3.49Å; P33-S36 PolarHBondContact O-N 2.87Å; N34-S36 VanDerWaalsContact C-N 3.29Å; S36-E38 PolarHBondContact O-N 3.34Å; S36-E38 PolarHBondContact OG-N 2.77Å; S36-K39 WeakPolarHBondContact O-CB 3.27Å; S36-K39 PolarHBondContact O-N 3.18Å
37P82.3Confident89.4Confident98 Ų9863.8 Ų63.864%0.63636%0.358SS*.THydrogen-bonded Turntrans-62.9-22.9175.926.6-33.7000112.4K39P37-K39 VanDerWaalsContact C-N 3.32Å; P37-K39 PolarHBondContact O-N 3.33Å
38E83.8Confident89.3Confident42 Ų4259.4 Ų59.420%0.19634%0.337CS..Hα-helixtrans-74.6-22.5-178.7-58.3178.2152.900112.6S36 K40 A41 F42 K212 M214S36-E38 PolarHBondContact O-N 3.34Å; S36-E38 PolarHBondContact OG-N 2.77Å; E38-K40 PolarHBondContact O-N 2.92Å; E38-A41 PolarHBondContact O-N 3.13Å; E38-F42 PolarHBondContact O-N 2.86Å; E38-K212 WeakPolarHBondContact OE1-CA 3.34Å; E38-K212 PolarHBondContact OE1-N 3.25Å; E38-M214 HydrophobicContact CB-CE 4.33Å; E38-M214 WeakPolarHBondContact OE2-CE 3.08Å; E38-M214 WeakPolarHBondContact OE2-CG 3.49Å
39K89.7Confident89.4Confident20 Ų2059.2 Ų59.29%0.08734%0.336CS..Hα-helixtrans-56.2-40.9-175.9-171.2167.6-172.2158.60112V29 I32 N34 S36 P37 F42 I43V29-K39 VanDerWaalsContact O-CE 3.26Å; V29-K39 WeakPolarHBondContact O-CE 3.4Å; V29-K39 PolarHBondContact O-NZ 3.4Å; I32-K39 HydrophobicContact CB-CB 4.34Å; I32-K39 HydrophobicContact CB-CD 4.27Å; I32-K39 HydrophobicContact CB-CG 4.14Å; I32-K39 HydrophobicContact CG2-CB 3.71Å; I32-K39 HydrophobicContact CG2-CD 4.33Å; I32-K39 HydrophobicContact CG2-CG 4.07Å; I32-K39 WeakPolarHBondContact O-CD 3.3Å; I32-K39 WeakPolarHBondContact O-CE 3.39Å; I32-K39 PolarHBondContact O-NZ 2.86Å; N34-K39 WeakPolarHBondContact OD1-CE 3.48Å; N34-K39 PolarHBondContact OD1-NZ 3.41Å; S36-K39 WeakPolarHBondContact O-CB 3.27Å; S36-K39 PolarHBondContact O-N 3.18Å; P37-K39 VanDerWaalsContact C-N 3.32Å; P37-K39 PolarHBondContact O-N 3.33Å; K39-F42 PolarHBondContact O-N 2.84Å; K39-I43 HydrophobicContact CG-CD1 4.02Å; K39-I43 HydrophobicContact CG-CG1 4.49Å; K39-I43 VanDerWaalsContact O-CG1 3.26Å; K39-I43 WeakPolarHBondContact O-CG1 3.16Å; K39-I43 PolarHBondContact O-N 3.49Å
40K88.9Confident89.5Confident160 Ų16061.9 Ų61.970%0.69635%0.346SS*.Hα-helixtrans-64.1-42.5178.6-174.4177.4179.8179.80112.1E38 F42 N44E38-K40 PolarHBondContact O-N 2.92Å; K40-F42 VanDerWaalsContact C-N 3.35Å; K40-N44 PolarHBondContact O-N 3.03Å
41A87.1Confident89.5Confident53 Ų5361.3 Ų61.344%0.43834%0.34SS..Hα-helixtrans-65.6-41.7177.300000110.9E38 N44 Q45E38-A41 PolarHBondContact O-N 3.13Å; A41-N44 PolarHBondContact O-N 3.27Å; A41-Q45 WeakPolarHBondContact O-CG 3.45Å; A41-Q45 PolarHBondContact O-N 3.19Å; A41-Q45 VanDerWaalsContact O-N 3.12Å
42F91.1Very high89.7Confident3 Ų358.3 Ų58.31%0.01332%0.321CS..Hα-helixtrans-64.5-42.2177.5-171-100.7000112.7L28 V29 I32 E38 K39 K40 N44 Q45 M46 A199 Y216 W221L28-F42 HydrophobicContact CB-CE1 4.29Å; L28-F42 HydrophobicContact CB-CZ 4.43Å; V29-F42 HydrophobicContact CG2-CD1 3.97Å; V29-F42 HydrophobicContact CG2-CE1 4.02Å; I32-F42 HydrophobicContact CD1-CB 3.56Å; I32-F42 HydrophobicContact CD1-CD1 3.3Å; I32-F42 HydrophobicContact CD1-CD2 4.09Å; I32-F42 HydrophobicContact CD1-CE1 3.93Å; I32-F42 HydrophobicContact CD1-CG 3.37Å; I32-F42 HydrophobicContact CG1-CD1 4.45Å; E38-F42 PolarHBondContact O-N 2.86Å; K39-F42 PolarHBondContact O-N 2.84Å; K40-F42 VanDerWaalsContact C-N 3.35Å; F42-N44 VanDerWaalsContact C-N 3.3Å; F42-N44 PolarHBondContact O-N 3.18Å; F42-Q45 WeakPolarHBondContact O-CB 3.28Å; F42-Q45 PolarHBondContact O-N 3.41Å; F42-Q45 VanDerWaalsContact O-N 3.11Å; F42-M46 HydrophobicContact CD1-CG 3.99Å; F42-M46 HydrophobicContact CD2-CE 4.38Å; F42-M46 HydrophobicContact CE1-CE 4.49Å; F42-M46 HydrophobicContact CE1-CG 3.68Å; F42-M46 HydrophobicContact CE1-SD 4.06Å; F42-M46 HydrophobicContact CE2-CE 3.89Å; F42-M46 HydrophobicContact CE2-SD 4.39Å; F42-M46 HydrophobicContact CZ-CE 3.97Å; F42-M46 HydrophobicContact CZ-CG 4.08Å; F42-M46 HydrophobicContact CZ-SD 3.84Å; F42-M46 WeakPolarHBondContact O-CG 3.35Å; F42-M46 PolarHBondContact O-N 3.24Å; F42-A199 HydrophobicContact CD2-CB 4.48Å; F42-A199 HydrophobicContact CE1-CB 3.92Å; F42-A199 HydrophobicContact CE2-CB 3.87Å; F42-A199 HydrophobicContact CZ-CB 3.55Å; F42-Y216 HydrophobicContact CE2-CE1 4.19Å; F42-W221 AromaticContact CE2-CH2 3.82Å; F42-W221 HydrophobicContact CE2-CH2 3.82Å; F42-W221 HydrophobicContact CE2-CZ3 4.01Å; F42-W221 AromaticContact CZ-CH2 3.66Å; F42-W221 HydrophobicContact CZ-CH2 3.66Å; F42-W221 HydrophobicContact CZ-CZ3 4.22Å
43I92.6Very high90Very high61 Ų6158 Ų5831%0.31332%0.32SS..Hα-helixtrans-55.4-46.7173.4-72.7164.5000110.9V29 K39 Q45 M46 I47V29-I43 HydrophobicContact CG1-CD1 3.99Å; V29-I43 HydrophobicContact CG1-CG1 3.54Å; V29-I43 HydrophobicContact CG2-CG1 4.1Å; K39-I43 HydrophobicContact CG-CD1 4.02Å; K39-I43 HydrophobicContact CG-CG1 4.49Å; K39-I43 VanDerWaalsContact O-CG1 3.26Å; K39-I43 WeakPolarHBondContact O-CG1 3.16Å; K39-I43 PolarHBondContact O-N 3.49Å; I43-Q45 VanDerWaalsContact C-N 3.29Å; I43-Q45 PolarHBondContact O-N 2.89Å; I43-M46 PolarHBondContact O-N 2.94Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.38Å; I43-I47 WeakPolarHBondContact O-CG1 3.43Å; I43-I47 PolarHBondContact O-N 2.97Å
44N90.9Very high90.2Very high93 Ų9358.9 Ų58.950%0.49732%0.315SS..Hα-helixtrans-61.8-38178.6-70.1-20.6000112.2K40 A41 F42 S48K40-N44 PolarHBondContact O-N 3.03Å; A41-N44 PolarHBondContact O-N 3.27Å; F42-N44 VanDerWaalsContact C-N 3.3Å; F42-N44 PolarHBondContact O-N 3.18Å; N44-S48 WeakPolarHBondContact O-CB 3.41Å; N44-S48 PolarHBondContact O-N 2.91Å
45Q92.6Very high90.4Very high37 Ų3754.8 Ų54.817%0.17329%0.292CS..Hα-helixtrans-63.9-44.8174.9-68.1178.732.800111.2A41 F42 I43 I47 S48 F49 C183 Y184A41-Q45 WeakPolarHBondContact O-CG 3.45Å; A41-Q45 PolarHBondContact O-N 3.19Å; A41-Q45 VanDerWaalsContact O-N 3.12Å; F42-Q45 WeakPolarHBondContact O-CB 3.28Å; F42-Q45 PolarHBondContact O-N 3.41Å; F42-Q45 VanDerWaalsContact O-N 3.11Å; I43-Q45 VanDerWaalsContact C-N 3.29Å; I43-Q45 PolarHBondContact O-N 2.89Å; Q45-I47 PolarHBondContact O-N 2.84Å; Q45-S48 PolarHBondContact O-N 3.21Å; Q45-F49 WeakPolarHBondContact O-CB 3.46Å; Q45-F49 PolarHBondContact O-N 2.86Å; Q45-C183 PolarHBondContact OE1-O 2.85Å; Q45-Y184 HydrophobicContact CB-CE1 4.15Å; Q45-Y184 VanDerWaalsContact O-CE1 3.24Å; Q45-Y184 WeakPolarHBondContact O-CE1 3.14Å
46M94.9Very high90.7Very high8 Ų850.3 Ų50.34%0.03926%0.258CS..Hα-helixtrans-66.8-37179.7-62.8-53.796.300112.3L25 V29 F42 I43 F49 K50 Y184 W221L25-M46 HydrophobicContact CD2-SD 3.87Å; V29-M46 HydrophobicContact CG2-CB 4.36Å; V29-M46 HydrophobicContact CG2-CG 3.97Å; F42-M46 HydrophobicContact CD1-CG 3.99Å; F42-M46 HydrophobicContact CD2-CE 4.38Å; F42-M46 HydrophobicContact CE1-CE 4.49Å; F42-M46 HydrophobicContact CE1-CG 3.68Å; F42-M46 HydrophobicContact CE1-SD 4.06Å; F42-M46 HydrophobicContact CE2-CE 3.89Å; F42-M46 HydrophobicContact CE2-SD 4.39Å; F42-M46 HydrophobicContact CZ-CE 3.97Å; F42-M46 HydrophobicContact CZ-CG 4.08Å; F42-M46 HydrophobicContact CZ-SD 3.84Å; F42-M46 WeakPolarHBondContact O-CG 3.35Å; F42-M46 PolarHBondContact O-N 3.24Å; I43-M46 PolarHBondContact O-N 2.94Å; M46-F49 PolarHBondContact O-N 3Å; M46-K50 WeakPolarHBondContact O-CB 3.49Å; M46-K50 PolarHBondContact O-N 2.97Å; M46-Y184 HydrophobicContact CE-CD1 4.5Å; M46-W221 HydrophobicContact CE-CZ3 4.09Å
47I93.2Very high90.9Very high93 Ų9349.5 Ų49.548%0.47725%0.251SS..Hα-helixtrans-60.7-47.8171.9-68.9167.9000110.2I43 Q45 F49 K50 E51I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.38Å; I43-I47 WeakPolarHBondContact O-CG1 3.43Å; I43-I47 PolarHBondContact O-N 2.97Å; Q45-I47 PolarHBondContact O-N 2.84Å; I47-F49 VanDerWaalsContact C-N 3.32Å; I47-F49 PolarHBondContact O-N 3.41Å; I47-K50 PolarHBondContact O-N 2.93Å; I47-E51 PolarHBondContact O-N 2.79Å; I47-E51 VanDerWaalsContact O-N 3.12Å
48S92.7Very high91Very high17 Ų1750 Ų5012%0.11925%0.245CC..Hα-helixtrans-64-38.3179.2-172.10000112.1N44 Q45 E51 L52 Y184 R231N44-S48 WeakPolarHBondContact O-CB 3.41Å; N44-S48 PolarHBondContact O-N 2.91Å; Q45-S48 PolarHBondContact O-N 3.21Å; S48-E51 PolarHBondContact O-N 3Å; S48-L52 PolarHBondContact O-N 3.3Å; S48-Y184 WeakPolarHBondContact CB-OH 3.49Å; S48-Y184 PolarHBondContact OG-OH 2.87Å; S48-R231 PolarHBondContact OG-NH1 3.47Å
49F95.5Very high90.8Very high0 Ų050.8 Ų50.80%025%0.25CS..Hα-helixtrans-64.9-40.1174.8-178.7-119.7000112.5L21 L25 Q45 M46 I47 E51 L52 F53 Y184 P185 L187L21-F49 HydrophobicContact CD1-CE1 4.32Å; L21-F49 HydrophobicContact CD2-CE1 4.34Å; L25-F49 HydrophobicContact CD1-CD1 3.97Å; L25-F49 HydrophobicContact CD2-CD1 3.96Å; L25-F49 HydrophobicContact CD2-CE1 4.24Å; Q45-F49 WeakPolarHBondContact O-CB 3.46Å; Q45-F49 PolarHBondContact O-N 2.86Å; M46-F49 PolarHBondContact O-N 3Å; I47-F49 VanDerWaalsContact C-N 3.32Å; I47-F49 PolarHBondContact O-N 3.41Å; F49-E51 VanDerWaalsContact C-N 3.35Å; F49-E51 PolarHBondContact O-N 3.43Å; F49-L52 WeakPolarHBondContact O-CB 3.4Å; F49-L52 PolarHBondContact O-N 3.46Å; F49-F53 PolarHBondContact O-N 3.2Å; F49-Y184 HydrophobicContact CB-CD1 3.81Å; F49-Y184 HydrophobicContact CB-CD2 4.02Å; F49-Y184 HydrophobicContact CB-CE1 3.91Å; F49-Y184 HydrophobicContact CB-CE2 4.08Å; F49-Y184 HydrophobicContact CB-CG 3.91Å; F49-Y184 HydrophobicContact CD2-CD1 4.34Å; F49-Y184 AromaticContact CD2-CD2 3.32Å; F49-Y184 HydrophobicContact CD2-CD2 3.32Å; F49-Y184 AromaticContact CD2-CE2 3.97Å; F49-Y184 HydrophobicContact CD2-CE2 3.97Å; F49-Y184 AromaticContact CD2-CG 3.55Å; F49-Y184 HydrophobicContact CD2-CG 3.55Å; F49-Y184 HydrophobicContact CE2-CD2 4.13Å; F49-Y184 HydrophobicContact CE2-CG 4.33Å; F49-Y184 HydrophobicContact CG-CD1 4.32Å; F49-Y184 HydrophobicContact CG-CD2 4.05Å; F49-Y184 AromaticContact CG-CG 3.96Å; F49-Y184 HydrophobicContact CG-CG 3.96Å; F49-P185 HydrophobicContact CD1-CG 3.91Å; F49-P185 HydrophobicContact CE1-CG 3.61Å; F49-P185 HydrophobicContact CZ-CG 4.16Å; F49-P185 WeakPolarHBondContact CZ-O 3.26Å; F49-L187 HydrophobicContact CE1-CD2 4.02Å; F49-L187 HydrophobicContact CZ-CD1 4.11Å; F49-L187 HydrophobicContact CZ-CD2 3.76Å; F49-L187 HydrophobicContact CZ-CG 3.93Å
50K94.3Very high89.9Confident70 Ų7055.3 Ų55.330%0.30427%0.27SS..Hα-helixtrans-60.6-43.9175.4-175.8-178.7176.7178.20111.7A22 L25 M46 I47 L52 F53 K54A22-K50 HydrophobicContact CB-CD 4.21Å; L25-K50 HydrophobicContact CD1-CB 4.18Å; M46-K50 WeakPolarHBondContact O-CB 3.49Å; M46-K50 PolarHBondContact O-N 2.97Å; I47-K50 PolarHBondContact O-N 2.93Å; K50-L52 VanDerWaalsContact C-N 3.34Å; K50-F53 PolarHBondContact O-N 2.87Å; K50-K54 WeakPolarHBondContact O-CB 3.32Å; K50-K54 PolarHBondContact O-N 3.46Å
51E92.6Very high88.6Confident98 Ų9852 Ų5246%0.45826%0.264SS..Hα-helixtrans-62.4-41.7175.7-66.6-60.9156.600111.6I47 S48 F49 F53 K54 Q55I47-E51 PolarHBondContact O-N 2.79Å; I47-E51 VanDerWaalsContact O-N 3.12Å; S48-E51 PolarHBondContact O-N 3Å; F49-E51 VanDerWaalsContact C-N 3.35Å; F49-E51 PolarHBondContact O-N 3.43Å; E51-F53 PolarHBondContact O-N 3.01Å; E51-K54 PolarHBondContact O-N 2.87Å; E51-Q55 PolarHBondContact O-N 3.41Å
52L93.4Very high87.6Confident3 Ų355.1 Ų55.12%0.01627%0.269CS..Hα-helixtrans-61.5-43.8175.2-17269.2000111.6S48 F49 K50 Q55 Y56 Y184 I358 L374 E376S48-L52 PolarHBondContact O-N 3.3Å; F49-L52 WeakPolarHBondContact O-CB 3.4Å; F49-L52 PolarHBondContact O-N 3.46Å; K50-L52 VanDerWaalsContact C-N 3.34Å; L52-Q55 PolarHBondContact O-N 3.21Å; L52-Y56 PolarHBondContact O-N 3.3Å; L52-Y184 HydrophobicContact CD2-CD2 4.22Å; L52-Y184 HydrophobicContact CD2-CE2 3.96Å; L52-I358 HydrophobicContact CD1-CD1 3.83Å; L52-I358 HydrophobicContact CD1-CG1 3.74Å; L52-I358 HydrophobicContact CG-CD1 4.29Å; L52-I358 WeakPolarHBondContact O-CD1 3.25Å; L52-L374 HydrophobicContact CD2-CB 3.69Å; L52-L374 WeakPolarHBondContact CD2-O 3.46Å; L52-L374 HydrophobicContact CG-CB 4.15Å; L52-E376 HydrophobicContact CD1-CG 3.75Å
53F93.7Very high86.8Confident0 Ų063.7 Ų63.70%031%0.306CS..Hα-helixtrans-64.1-41.5176.8-176.5-106.4000112.2L21 F49 K50 E51 Q55 Y56 L57 L187 L192 L374L21-F53 HydrophobicContact CB-CD1 4.26Å; L21-F53 HydrophobicContact CB-CE1 4.05Å; L21-F53 HydrophobicContact CD2-CB 3.56Å; L21-F53 HydrophobicContact CD2-CD1 3.3Å; L21-F53 HydrophobicContact CD2-CD2 4.13Å; L21-F53 HydrophobicContact CD2-CE1 3.92Å; L21-F53 HydrophobicContact CD2-CG 3.41Å; L21-F53 VanDerWaalsContact CD2-CG 3.41Å; L21-F53 HydrophobicContact CG-CD1 4.25Å; L21-F53 HydrophobicContact CG-CE1 4.4Å; F49-F53 PolarHBondContact O-N 3.2Å; K50-F53 PolarHBondContact O-N 2.87Å; E51-F53 PolarHBondContact O-N 3.01Å; F53-Q55 VanDerWaalsContact C-N 3.32Å; F53-Q55 PolarHBondContact O-N 2.87Å; F53-Y56 HydrophobicContact CD2-CD1 4.01Å; F53-Y56 HydrophobicContact CE2-CD1 4.01Å; F53-Y56 HydrophobicContact CE2-CE1 4.23Å; F53-Y56 WeakPolarHBondContact O-CB 3.33Å; F53-Y56 PolarHBondContact O-N 3.06Å; F53-Y56 VanDerWaalsContact O-N 3.11Å; F53-L57 HydrophobicContact CD1-CD1 3.97Å; F53-L57 HydrophobicContact CD1-CG 4.24Å; F53-L57 HydrophobicContact CE1-CD1 3.57Å; F53-L57 HydrophobicContact CE1-CD2 4.25Å; F53-L57 HydrophobicContact CE1-CG 3.97Å; F53-L57 HydrophobicContact CE2-CD2 4.49Å; F53-L57 HydrophobicContact CZ-CD1 4.18Å; F53-L57 HydrophobicContact CZ-CD2 4.02Å; F53-L57 HydrophobicContact CZ-CG 4.22Å; F53-L57 WeakPolarHBondContact O-CG 3.46Å; F53-L57 PolarHBondContact O-N 3.37Å; F53-L187 HydrophobicContact CD2-CD1 3.6Å; F53-L187 HydrophobicContact CE2-CD1 3.61Å; F53-L192 HydrophobicContact CE2-CB 4.24Å; F53-L192 HydrophobicContact CZ-CB 4.07Å; F53-L374 HydrophobicContact CB-CD1 4.41Å; F53-L374 HydrophobicContact CD2-CD1 3.98Å
54K91.5Very high86.4Confident98 Ų9861.9 Ų61.943%0.42630%0.296SS..Hα-helixtrans-60-43.4175.7-177179.4178.8-178.50111.5K50 E51 Y56 L57 H58K50-K54 WeakPolarHBondContact O-CB 3.32Å; K50-K54 PolarHBondContact O-N 3.46Å; E51-K54 PolarHBondContact O-N 2.87Å; K54-Y56 VanDerWaalsContact C-N 3.34Å; K54-L57 PolarHBondContact O-N 3.49Å; K54-H58 PolarHBondContact O-N 3.41Å; K54-H58 VanDerWaalsContact O-N 3.13Å
55Q89.7Confident86.3Confident57 Ų5760.2 Ų60.227%0.26629%0.287SS..Hα-helixtrans-64-39.3173.9177.8-173.7-9.600111.4E51 L52 F53 L57 H58 D59 M356 I358E51-Q55 PolarHBondContact O-N 3.41Å; L52-Q55 PolarHBondContact O-N 3.21Å; F53-Q55 VanDerWaalsContact C-N 3.32Å; F53-Q55 PolarHBondContact O-N 2.87Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 2.86Å; Q55-H58 CarbonylContact O-C 3.42Å; Q55-H58 WeakPolarHBondContact O-CA 3.44Å; Q55-H58 WeakPolarHBondContact O-CB 3.38Å; Q55-H58 PolarHBondContact O-N 2.77Å; Q55-D59 PolarHBondContact O-N 2.99Å; Q55-M356 PolarHBondContact NE2-O 3.49Å; Q55-I358 HydrophobicContact CB-CD1 3.66Å; Q55-I358 HydrophobicContact CG-CD1 3.54Å; Q55-I358 HydrophobicContact CG-CG1 4.15Å
56Y90.8Very high86.2Confident19 Ų1959.9 Ų59.98%0.07529%0.285CS..Hα-helixtrans-60.4-39.9176.3159.8-108.9000112.4L52 F53 K54 H58 K60 V360 L374L52-Y56 PolarHBondContact O-N 3.3Å; F53-Y56 HydrophobicContact CD2-CD1 4.01Å; F53-Y56 HydrophobicContact CE2-CD1 4.01Å; F53-Y56 HydrophobicContact CE2-CE1 4.23Å; F53-Y56 WeakPolarHBondContact O-CB 3.33Å; F53-Y56 PolarHBondContact O-N 3.06Å; F53-Y56 VanDerWaalsContact O-N 3.11Å; K54-Y56 VanDerWaalsContact C-N 3.34Å; Y56-H58 VanDerWaalsContact C-N 3.29Å; Y56-H58 PolarHBondContact O-N 3.13Å; Y56-K60 VanDerWaalsContact CZ-CE 3.42Å; Y56-K60 WeakPolarHBondContact OH-CE 3.27Å; Y56-K60 PolarHBondContact OH-NZ 3.5Å; Y56-V360 HydrophobicContact CD2-CG2 3.67Å; Y56-V360 HydrophobicContact CE2-CG1 4.29Å; Y56-V360 HydrophobicContact CE2-CG2 3.66Å; Y56-L374 HydrophobicContact CD1-CD1 4.2Å; Y56-L374 HydrophobicContact CD1-CD2 4.39Å; Y56-L374 HydrophobicContact CD2-CD2 3.92Å; Y56-L374 HydrophobicContact CE2-CD2 4.33Å; Y56-L374 HydrophobicContact CG-CD1 4.09Å; Y56-L374 HydrophobicContact CG-CD2 3.94Å
57L88Confident86Confident9 Ų966.1 Ų66.15%0.04732%0.318CS..Hα-helixtrans-64.5-35.3174.5-68.3-174.8000111.9L14 A17 E18 F53 K54 Q55L14-L57 HydrophobicContact CB-CD1 4.42Å; L14-L57 HydrophobicContact CD2-CB 3.95Å; L14-L57 HydrophobicContact CD2-CD1 4.44Å; L14-L57 HydrophobicContact CD2-CD2 3.73Å; L14-L57 HydrophobicContact CD2-CG 4.22Å; L14-L57 WeakPolarHBondContact O-CD1 3.33Å; A17-L57 HydrophobicContact CB-CD1 4.46Å; E18-L57 HydrophobicContact CB-CD1 4.3Å; F53-L57 HydrophobicContact CD1-CD1 3.97Å; F53-L57 HydrophobicContact CD1-CG 4.24Å; F53-L57 HydrophobicContact CE1-CD1 3.57Å; F53-L57 HydrophobicContact CE1-CD2 4.25Å; F53-L57 HydrophobicContact CE1-CG 3.97Å; F53-L57 HydrophobicContact CE2-CD2 4.49Å; F53-L57 HydrophobicContact CZ-CD1 4.18Å; F53-L57 HydrophobicContact CZ-CD2 4.02Å; F53-L57 HydrophobicContact CZ-CG 4.22Å; F53-L57 WeakPolarHBondContact O-CG 3.46Å; F53-L57 PolarHBondContact O-N 3.37Å; K54-L57 PolarHBondContact O-N 3.49Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 2.86Å
58H83.6Confident85.9Confident108 Ų10866.5 Ų66.550%0.532%0.319SS..Hα-helixtrans-76.6-44.7178.5-166.762.6000112.9K54 Q55 Y56 K60 T61 E62K54-H58 PolarHBondContact O-N 3.41Å; K54-H58 VanDerWaalsContact O-N 3.13Å; Q55-H58 CarbonylContact O-C 3.42Å; Q55-H58 WeakPolarHBondContact O-CA 3.44Å; Q55-H58 WeakPolarHBondContact O-CB 3.38Å; Q55-H58 PolarHBondContact O-N 2.77Å; Y56-H58 VanDerWaalsContact C-N 3.29Å; Y56-H58 PolarHBondContact O-N 3.13Å; H58-K60 PolarHBondContact O-N 3.26Å; H58-K60 VanDerWaalsContact O-N 3.08Å; H58-T61 WeakPolarHBondContact O-CA 3.46Å; H58-T61 WeakPolarHBondContact O-CB 3.34Å; H58-T61 PolarHBondContact O-N 3.32Å; H58-T61 PolarHBondContact O-OG1 2.85Å; H58-E62 PolarHBondContact O-N 3.38Å
59D80.5Confident85.8Confident59 Ų5967 Ų6732%0.31632%0.32SS..Hα-helixtrans-60.2-23.4-179.3-74.1-0.4000112.4Q55 T61Q55-D59 PolarHBondContact O-N 2.99Å; D59-T61 PolarHBondContact O-N 2.88Å
60K71.3Confident85.7Confident116 Ų11672 Ų7250%0.50434%0.343SS..THydrogen-bonded Turntrans-61.1-20.3169.6-79.6-172.9176.5178.40114Y56 H58Y56-K60 VanDerWaalsContact CZ-CE 3.42Å; Y56-K60 WeakPolarHBondContact OH-CE 3.27Å; Y56-K60 PolarHBondContact OH-NZ 3.5Å; H58-K60 PolarHBondContact O-N 3.26Å; H58-K60 VanDerWaalsContact O-N 3.08Å
61T61.1Low85.4Confident90 Ų9073.9 Ų73.955%0.55236%0.363SS*.THydrogen-bonded Turntrans-101.4-31.3-177.5610000113.3H58 D59H58-T61 WeakPolarHBondContact O-CA 3.46Å; H58-T61 WeakPolarHBondContact O-CB 3.34Å; H58-T61 PolarHBondContact O-N 3.32Å; H58-T61 PolarHBondContact O-OG1 2.85Å; D59-T61 PolarHBondContact O-N 2.88Å
62E66.6Low85.3Confident119 Ų11970.7 Ų70.756%0.55635%0.35SS*.SBendtrans-110.196.4-178.7-139.6-171171.500110.9H58H58-E62 PolarHBondContact O-N 3.38Å
63K74Confident85.2Confident183 Ų18371.6 Ų71.680%0.79636%0.355SS*.  trans-82.3153.2-178.7-67.9-171.8177.5-1740112D65K63-D65 PolarHBondContact O-N 3.46Å
64F83.7Confident84.9Confident23 Ų2376.6 Ų76.610%0.10139%0.391CS..  trans-59.5124.3169.5-178.2-95.9000110.4W66 M69 Y304 L311 Q315F64-W66 HydrophobicContact CE1-CB 4.46Å; F64-W66 AromaticContact CE1-CE3 3.91Å; F64-W66 HydrophobicContact CE1-CE3 3.91Å; F64-M69 HydrophobicContact CE1-CB 4.33Å; F64-M69 HydrophobicContact CZ-CB 3.84Å; F64-M69 HydrophobicContact CZ-CG 4.1Å; F64-Y304 HydrophobicContact CD2-CD2 4.45Å; F64-Y304 HydrophobicContact CD2-CE2 4.11Å; F64-Y304 AromaticContact CE2-CD2 3.67Å; F64-Y304 HydrophobicContact CE2-CD2 3.67Å; F64-Y304 AromaticContact CE2-CE2 3.72Å; F64-Y304 HydrophobicContact CE2-CE2 3.72Å; F64-Y304 HydrophobicContact CE2-CG 4.32Å; F64-Y304 HydrophobicContact CZ-CD2 4.08Å; F64-Y304 HydrophobicContact CZ-CE2 4.19Å; F64-L311 HydrophobicContact CD1-CD1 4.41Å; F64-L311 HydrophobicContact CD2-CD1 4.26Å; F64-L311 HydrophobicContact CE1-CD1 3.94Å; F64-L311 HydrophobicContact CE1-CD2 4.48Å; F64-L311 HydrophobicContact CE2-CD1 3.8Å; F64-L311 HydrophobicContact CZ-CD1 3.61Å; F64-L311 HydrophobicContact CZ-CD2 4.21Å; F64-Q315 WeakPolarHBondContact CB-O 3.27Å
65D88.8Confident84.7Confident58 Ų5877.2 Ų77.231%0.3140%0.395SS..  trans-92.1106.8174.6-176-2.8000109.7K63 N67 M68 Y304K63-D65 PolarHBondContact O-N 3.46Å; D65-N67 PolarHBondContact O-N 3.16Å; D65-N67 WeakPolarHBondContact OD1-CB 3.4Å; D65-N67 PolarHBondContact OD1-N 2.67Å; D65-N67 PolarHBondContact OD1-ND2 3.35Å; D65-M68 HydrophobicContact CB-CB 4.34Å; D65-M68 HydrophobicContact CB-CG 4.07Å; D65-M68 PolarHBondContact O-N 3.12Å; D65-M68 WeakPolarHBondContact OD2-CG 3.02Å; D65-Y304 WeakPolarHBondContact O-CE2 3.45Å
66W89.4Confident84.7Confident30 Ų3075.7 Ų75.711%0.11439%0.391CS..G310 helixtrans-58.9-30.1-179.3-174.9-94.9000113F64 M68 M69 L311 V316 P317 H320 D323 F324 F330F64-W66 HydrophobicContact CE1-CB 4.46Å; F64-W66 AromaticContact CE1-CE3 3.91Å; F64-W66 HydrophobicContact CE1-CE3 3.91Å; W66-M68 PolarHBondContact O-N 2.89Å; W66-M69 HydrophobicContact CD2-CE 4.23Å; W66-M69 HydrophobicContact CH2-CE 4.16Å; W66-M69 HydrophobicContact CZ2-CE 3.83Å; W66-M69 HydrophobicContact CZ3-CE 4.48Å; W66-M69 WeakPolarHBondContact O-CB 3.39Å; W66-M69 PolarHBondContact O-N 3.5Å; W66-L311 HydrophobicContact CZ3-CD2 4.04Å; W66-V316 HydrophobicContact CE3-CG1 4Å; W66-V316 HydrophobicContact CH2-CG1 4.33Å; W66-V316 HydrophobicContact CZ3-CB 4.34Å; W66-V316 HydrophobicContact CZ3-CG1 3.55Å; W66-V316 HydrophobicContact CZ3-CG2 4Å; W66-P317 HydrophobicContact CB-CG 4.35Å; W66-H320 AromaticContact CD1-CD2 3.48Å; W66-H320 VanDerWaalsContact CD1-CD2 3.48Å; W66-H320 AromaticContact CD1-CE1 3.66Å; W66-H320 AromaticContact CD1-CG 3.69Å; W66-H320 AromaticContact CD1-ND1 3.79Å; W66-H320 AromaticContact CD1-NE2 3.46Å; W66-H320 HydrophobicContact CD2-CB 3.71Å; W66-H320 AromaticContact CD2-CD2 3.87Å; W66-H320 AromaticContact CD2-CG 3.72Å; W66-H320 AromaticContact CE2-CG 3.73Å; W66-H320 AromaticContact CE2-ND1 3.98Å; W66-H320 HydrophobicContact CE3-CB 3.88Å; W66-H320 HydrophobicContact CG-CB 4.22Å; W66-H320 AromaticContact CG-CD2 3.39Å; W66-H320 AromaticContact CG-CG 3.73Å; W66-H320 AromaticContact CG-NE2 3.82Å; W66-H320 HydrophobicContact CH2-CB 4.19Å; W66-H320 HydrophobicContact CZ2-CB 4.02Å; W66-H320 HydrophobicContact CZ3-CB 4.13Å; W66-H320 AromaticContact NE1-CD2 3.97Å; W66-H320 AromaticContact NE1-CE1 3.82Å; W66-H320 AromaticContact NE1-CG 3.68Å; W66-H320 AromaticContact NE1-ND1 3.58Å; W66-D323 HydrophobicContact CH2-CB 4.41Å; W66-D323 HydrophobicContact CZ2-CB 3.88Å; W66-F324 HydrophobicContact CH2-CB 4.05Å; W66-F324 HydrophobicContact CZ3-CB 4.42Å; W66-F330 AromaticContact CH2-CE2 3.79Å; W66-F330 HydrophobicContact CH2-CE2 3.79Å; W66-F330 AromaticContact CH2-CZ 3.84Å; W66-F330 HydrophobicContact CH2-CZ 3.84Å; W66-F330 HydrophobicContact CZ2-CE2 4.2Å; W66-F330 HydrophobicContact CZ2-CZ 4.21Å
67N91.1Very high84.8Confident138 Ų13876.4 Ų76.474%0.73840%0.396SS*.G310 helixtrans-74.4-17.2-177.2-57.5-62.3000113.4D65 M69D65-N67 PolarHBondContact O-N 3.16Å; D65-N67 WeakPolarHBondContact OD1-CB 3.4Å; D65-N67 PolarHBondContact OD1-N 2.67Å; D65-N67 PolarHBondContact OD1-ND2 3.35Å; N67-M69 VanDerWaalsContact C-N 3.34Å
68M91.6Very high85.1Confident101 Ų10178.6 Ų78.650%0.49841%0.405SS..G310 helixtrans-91.1-2.2177.5-67-82.317200112.4D65 W66 Y304D65-M68 HydrophobicContact CB-CB 4.34Å; D65-M68 HydrophobicContact CB-CG 4.07Å; D65-M68 PolarHBondContact O-N 3.12Å; D65-M68 WeakPolarHBondContact OD2-CG 3.02Å; W66-M68 PolarHBondContact O-N 2.89Å; M68-Y304 HydrophobicContact CB-CD2 4.28Å; M68-Y304 HydrophobicContact CB-CE2 3.66Å
69M91.6Very high85.7Confident29 Ų2978.8 Ų78.814%0.14341%0.407CS..EExtended strand (participates in β ladder)trans-85.6132.4178.1179.8-83.4-56.500110.4F64 W66 N67 T302 Y304 F330F64-M69 HydrophobicContact CE1-CB 4.33Å; F64-M69 HydrophobicContact CZ-CB 3.84Å; F64-M69 HydrophobicContact CZ-CG 4.1Å; W66-M69 HydrophobicContact CD2-CE 4.23Å; W66-M69 HydrophobicContact CH2-CE 4.16Å; W66-M69 HydrophobicContact CZ2-CE 3.83Å; W66-M69 HydrophobicContact CZ3-CE 4.48Å; W66-M69 WeakPolarHBondContact O-CB 3.39Å; W66-M69 PolarHBondContact O-N 3.5Å; N67-M69 VanDerWaalsContact C-N 3.34Å; M69-T302 HydrophobicContact CG-CG2 4.1Å; M69-T302 HydrophobicContact SD-CG2 4.1Å; M69-Y304 HydrophobicContact CB-CD2 4.38Å; M69-F330 HydrophobicContact CE-CE1 4.28Å; M69-F330 HydrophobicContact CE-CZ 3.73Å; M69-F330 HydrophobicContact SD-CE1 4.09Å; M69-F330 HydrophobicContact SD-CZ 4.15Å
70E91.5Very high86.4Confident105 Ų10578.1 Ų78.149%0.49140%0.4SS..EExtended strand (participates in β ladder)trans-119149.1179.1-66.6174.7162.300110Q303E70-Q303 HydrophobicContact CB-CB 4.16Å; E70-Q303 PolarHBondContact N-O 3.5Å; E70-Q303 PolarHBondContact O-N 3.43Å
71P88.4Confident87.5Confident109 Ų10979.8 Ų79.871%0.70842%0.415SS*.PPolyproline II helixtrans-56.5150.7168.2-21.432.7000111.1
72V91.1Very high89.1Confident31 Ų3178.4 Ų78.419%0.18841%0.412CS..PPolyproline II helixtrans-63.6130.8178.6-175.20000110.3I77 L301 L308V72-I77 HydrophobicContact CB-CD1 3.66Å; V72-I77 HydrophobicContact CB-CG1 4.46Å; V72-I77 HydrophobicContact CG1-CD1 3.34Å; V72-I77 HydrophobicContact CG1-CG1 3.61Å; V72-I77 HydrophobicContact CG2-CD1 4.1Å; V72-L301 HydrophobicContact CG2-CB 4.08Å; V72-L301 HydrophobicContact CG2-CD2 4.47Å; V72-L301 HydrophobicContact CG2-CG 4.03Å; V72-L301 WeakPolarHBondContact CG2-O 3.27Å; V72-L308 HydrophobicContact CG1-CD2 3.71Å
73P90.5Very high90.4Very high21 Ų2173.2 Ų73.214%0.13639%0.389CS..PPolyproline II helixtrans-58.2140.5174.6-25.333.9000111.7E75 S76 Q303P73-E75 VanDerWaalsContact CB-CD 3.41Å; P73-E75 HydrophobicContact CB-CG 4.13Å; P73-E75 WeakPolarHBondContact CB-OE2 3.3Å; P73-E75 PolarHBondContact O-N 3.37Å; P73-E75 VanDerWaalsContact O-N 3.16Å; P73-S76 WeakPolarHBondContact O-CB 3.38Å; P73-S76 PolarHBondContact O-N 3.03Å; P73-Q303 VanDerWaalsContact CD-OE1 3.25Å
74S87.3Confident91.3Very high106 Ų10669.4 Ų69.474%0.74137%0.373SS*.G310 helixtrans-58.7-29.9-179.357.60000113.4S76S74-S76 VanDerWaalsContact C-N 3.32Å
75E88.1Confident91.8Very high111 Ų11172.4 Ų72.452%0.51939%0.393SS..G310 helixtrans-79.6-13.5178.763.8-89-150.400113.4P73 F389P73-E75 VanDerWaalsContact CB-CD 3.41Å; P73-E75 HydrophobicContact CB-CG 4.13Å; P73-E75 WeakPolarHBondContact CB-OE2 3.3Å; P73-E75 PolarHBondContact O-N 3.37Å; P73-E75 VanDerWaalsContact O-N 3.16Å; E75-F389 WeakPolarHBondContact O-CE2 3.3Å; E75-F389 WeakPolarHBondContact O-CZ 3.18Å
76S90.6Very high92Very high25 Ų2570.3 Ų70.318%0.17538%0.383CS..G310 helixtrans-94.6-5.4178.9-670000112.8P73 S74 G390P73-S76 WeakPolarHBondContact O-CB 3.38Å; P73-S76 PolarHBondContact O-N 3.03Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S76-G390 PolarHBondContact O-N 2.81Å
77I93Very high92.2Very high34 Ų3475 Ų7517%0.17442%0.415CS..EExtended strand (participates in β ladder)trans-127.9129.8172.9-68.4168.7000109.6V72 L301 I332 G390 N392V72-I77 HydrophobicContact CB-CD1 3.66Å; V72-I77 HydrophobicContact CB-CG1 4.46Å; V72-I77 HydrophobicContact CG1-CD1 3.34Å; V72-I77 HydrophobicContact CG1-CG1 3.61Å; V72-I77 HydrophobicContact CG2-CD1 4.1Å; I77-L301 HydrophobicContact CD1-CD2 4.47Å; I77-L301 HydrophobicContact CG1-CD2 4.43Å; I77-I332 HydrophobicContact CD1-CD1 3.49Å; I77-I332 VanDerWaalsContact CD1-CD1 3.49Å; I77-G390 VanDerWaalsContact CA-O 3.27Å; I77-G390 WeakPolarHBondContact CA-O 3.43Å; I77-N392 HydrophobicContact CG2-CB 4.29Å
78K93Very high92.3Very high55 Ų5572.6 Ų72.624%0.23940%0.402CS..EExtended strand (participates in β ladder)trans-111.8137.9172.6-166.4164.2-178.5-176.70110.5A82 L83 F269 F389 G390 V391 N392K78-A82 VanDerWaalsContact CE-O 3.23Å; K78-A82 WeakPolarHBondContact CE-O 3.37Å; K78-A82 HydrophobicContact CG-CB 4.26Å; K78-L83 HydrophobicContact CD-CD2 3.73Å; K78-L83 HydrophobicContact CG-CD2 4.06Å; K78-F269 HydrophobicContact CD-CE2 4.12Å; K78-F389 HydrophobicContact CB-CE1 3.62Å; K78-F389 HydrophobicContact CB-CZ 4.2Å; K78-G390 PolarHBondContact N-O 2.88Å; K78-V391 CarbonylContact O-C 3.2Å; K78-V391 WeakPolarHBondContact O-CA 3.17Å; K78-N392 PolarHBondContact O-N 2.63Å
79M95.8Very high92.5Very high112 Ų11275.2 Ų75.255%0.55241%0.406SS*.EExtended strand (participates in β ladder)trans-70.5138.7171.8-61.2-55.3178.700109.3D81 A82 N392M79-D81 VanDerWaalsContact C-N 3.25Å; M79-D81 PolarHBondContact O-N 3.11Å; M79-A82 WeakPolarHBondContact O-CB 3.32Å; M79-A82 PolarHBondContact O-N 3.04Å; M79-N392 HydrophobicContact SD-CB 3.67Å
80Y96.7Very high92.7Very high45 Ų4577.6 Ų77.618%0.17642%0.417CS..G310 helixtrans-55.5-40.6-179.5-179.8-98000112.9A82 L83 D263 N265 I266 N392 V393 P394Y80-A82 PolarHBondContact O-N 2.81Å; Y80-A82 VanDerWaalsContact O-N 3.1Å; Y80-L83 HydrophobicContact CD2-CD1 3.94Å; Y80-L83 HydrophobicContact CE2-CD1 4.4Å; Y80-L83 VanDerWaalsContact O-CB 3.27Å; Y80-L83 WeakPolarHBondContact O-CB 3.45Å; Y80-L83 WeakPolarHBondContact O-CG 3.3Å; Y80-L83 PolarHBondContact O-N 2.98Å; Y80-D263 WeakPolarHBondContact CE2-OD2 3.34Å; Y80-D263 VanDerWaalsContact CZ-OD2 3.3Å; Y80-D263 PolarHBondContact OH-OD1 3.45Å; Y80-D263 PolarHBondContact OH-OD2 2.83Å; Y80-N265 HydrophobicContact CE2-CB 4.4Å; Y80-N265 PolarHBondContact OH-ND2 2.73Å; Y80-N265 VanDerWaalsContact OH-ND2 3.16Å; Y80-I266 HydrophobicContact CD2-CD1 4.47Å; Y80-I266 HydrophobicContact CD2-CG1 4.34Å; Y80-I266 HydrophobicContact CE2-CD1 4.32Å; Y80-I266 HydrophobicContact CE2-CG1 4.13Å; Y80-N392 WeakPolarHBondContact CB-O 3.27Å; Y80-N392 PolarHBondContact N-O 2.8Å; Y80-V393 HydrophobicContact CD2-CG1 4.07Å; Y80-P394 HydrophobicContact CD1-CG 4.3Å
81D94.7Very high92.9Very high151 Ų15175.1 Ų75.181%0.80741%0.409SS*.G310 helixtrans-65.2-16.2-179.7-57.5-26.4000113.4M79M79-D81 VanDerWaalsContact C-N 3.25Å; M79-D81 PolarHBondContact O-N 3.11Å
82A93.8Very high93.3Very high60 Ų6070.2 Ų70.250%0.49638%0.377SS..G310 helixtrans-90.41.2175.100000113.2K78 M79 Y80K78-A82 VanDerWaalsContact CE-O 3.23Å; K78-A82 WeakPolarHBondContact CE-O 3.37Å; K78-A82 HydrophobicContact CG-CB 4.26Å; M79-A82 WeakPolarHBondContact O-CB 3.32Å; M79-A82 PolarHBondContact O-N 3.04Å; Y80-A82 PolarHBondContact O-N 2.81Å; Y80-A82 VanDerWaalsContact O-N 3.1Å
83L94.1Very high93.6Very high11 Ų1172.9 Ų72.96%0.05838%0.383CS..SBendtrans-80.4142.2175.1-58.8-176.3000110.7K78 Y80 V85 N265 I266 F269 V391K78-L83 HydrophobicContact CD-CD2 3.73Å; K78-L83 HydrophobicContact CG-CD2 4.06Å; Y80-L83 HydrophobicContact CD2-CD1 3.94Å; Y80-L83 HydrophobicContact CE2-CD1 4.4Å; Y80-L83 VanDerWaalsContact O-CB 3.27Å; Y80-L83 WeakPolarHBondContact O-CB 3.45Å; Y80-L83 WeakPolarHBondContact O-CG 3.3Å; Y80-L83 PolarHBondContact O-N 2.98Å; L83-V85 PolarHBondContact O-N 3.31Å; L83-N265 HydrophobicContact CB-CB 4.06Å; L83-N265 HydrophobicContact CD1-CB 4.41Å; L83-I266 HydrophobicContact CD1-CG1 3.8Å; L83-F269 HydrophobicContact CD2-CB 3.99Å; L83-F269 HydrophobicContact CD2-CD1 4.43Å; L83-F269 HydrophobicContact CD2-CD2 4.06Å; L83-F269 HydrophobicContact CD2-CG 3.89Å; L83-V391 HydrophobicContact CD1-CG1 3.97Å
84H93.4Very high93.9Very high102 Ų10276.4 Ų76.447%0.47240%0.398SS..  trans-74.9128.5178.5-178.481.9000110.7P86 N268 F275H84-P86 WeakPolarHBondContact O-CD 3.17Å; H84-N268 PolarHBondContact CD2-ND2 2.98Å; H84-N268 PolarHBondContact O-ND2 3.37Å; H84-F275 HydrophobicContact CB-CE1 3.92Å; H84-F275 HydrophobicContact CB-CE2 4.19Å; H84-F275 HydrophobicContact CB-CZ 3.45Å; H84-F275 VanDerWaalsContact CB-CZ 3.45Å; H84-F275 AromaticContact CG-CZ 3.83Å
85V94Very high94.3Very high86 Ų8672 Ų7252%0.52137%0.366SS..  trans-80.4112.3175.1-176.40000109.2L83 T87 N265L83-V85 PolarHBondContact O-N 3.31Å; V85-T87 PolarHBondContact O-N 3.4Å; V85-N265 WeakPolarHBondContact CA-OD1 3.48Å
86P93.1Very high94.8Very high14 Ų1466.7 Ų66.79%0.09134%0.341CS..  trans-69130177.430.4-33.6000109.9H84 I92 L264 N265 N268H84-P86 WeakPolarHBondContact O-CD 3.17Å; P86-I92 HydrophobicContact CB-CD1 4.29Å; P86-I92 HydrophobicContact CB-CG1 3.89Å; P86-I92 HydrophobicContact CG-CD1 4.33Å; P86-I92 HydrophobicContact CG-CG1 4.02Å; P86-L264 HydrophobicContact CG-CB 3.92Å; P86-N265 WeakPolarHBondContact CD-OD1 3.06Å; P86-N268 HydrophobicContact CB-CB 4.24Å; P86-N268 HydrophobicContact CG-CB 4.04Å
87T92.4Very high95.1Very high128 Ų12867.7 Ų67.779%0.78534%0.344SS*.  trans-108.3-20.9177.256.20000113.2V85 R89V85-T87 PolarHBondContact O-N 3.4Å; T87-R89 PolarHBondContact O-N 3.47Å
88D94.6Very high95.3Very high88 Ų8869.5 Ų69.547%0.47135%0.351SS..  trans-79.2114.4179.7-173.5-21.5000110.7E90 V91 I92D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 2.93Å; D88-E90 WeakPolarHBondContact OD1-CB 3.35Å; D88-E90 PolarHBondContact OD1-N 3.09Å; D88-V91 HydrophobicContact CB-CB 4.05Å; D88-V91 HydrophobicContact CB-CG2 3.83Å; D88-V91 PolarHBondContact O-N 3.46Å; D88-I92 WeakPolarHBondContact O-CG1 3.36Å; D88-I92 PolarHBondContact O-N 2.96Å
89R95.7Very high95.6Very high157 Ų15766.9 Ų66.959%0.59234%0.34SS*.Hα-helixtrans-61.4-33.5-179.1-167.2174.3-174.6159.3-3.2112.9T87 R93 E143 Y144T87-R89 PolarHBondContact O-N 3.47Å; R89-R93 WeakPolarHBondContact O-CB 3.37Å; R89-R93 PolarHBondContact O-N 2.75Å; R89-E143 PolarHBondContact NH2-O 2.8Å; R89-Y144 HydrophobicContact CG-CD1 3.87Å; R89-Y144 HydrophobicContact CG-CE1 4.02Å
90E95.6Very high95.7Very high79 Ų7961.6 Ų61.637%0.36931%0.313SS..Hα-helixtrans-72.7-39.8179.5179.152.7-152.200111D88 R93 Q94D88-E90 VanDerWaalsContact C-N 3.27Å; D88-E90 PolarHBondContact O-N 2.93Å; D88-E90 WeakPolarHBondContact OD1-CB 3.35Å; D88-E90 PolarHBondContact OD1-N 3.09Å; E90-R93 PolarHBondContact O-N 3.31Å; E90-R93 IonicContact OE1-CZ 3.51Å; E90-R93 IonicContact OE1-NE 2.73Å; E90-R93 PolarHBondContact OE1-NE 3.17Å; E90-R93 IonicContact OE1-NH2 3.34Å; E90-R93 PolarHBondContact OE1-NH2 2.97Å; E90-R93 IonicContact OE2-CZ 2.87Å; E90-R93 IonicContact OE2-NE 2.73Å; E90-R93 PolarHBondContact OE2-NE 3.37Å; E90-R93 IonicContact OE2-NH2 3.6Å; E90-R93 PolarHBondContact OE2-NH2 2.67Å; E90-Q94 VanDerWaalsContact O-CG 3.31Å; E90-Q94 WeakPolarHBondContact O-CG 3.43Å; E90-Q94 PolarHBondContact O-N 2.91Å; E90-Q94 PolarHBondContact OE1-NE2 3.07Å
91V94.8Very high95.8Very high52 Ų5259.6 Ų59.632%0.31531%0.306SS..Hα-helixtrans-61.2-47.6172.3175.50000110.3D88 R93 Q94 Q95D88-V91 HydrophobicContact CB-CB 4.05Å; D88-V91 HydrophobicContact CB-CG2 3.83Å; D88-V91 PolarHBondContact O-N 3.46Å; V91-R93 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 3.39Å; V91-Q94 PolarHBondContact O-N 2.95Å; V91-Q95 HydrophobicContact CG1-CG 4.32Å; V91-Q95 WeakPolarHBondContact O-CB 3.46Å; V91-Q95 VanDerWaalsContact O-CG 3.26Å; V91-Q95 WeakPolarHBondContact O-CG 3.17Å; V91-Q95 PolarHBondContact O-N 3.24Å
92I96.6Very high96Very high7 Ų752.4 Ų52.44%0.03627%0.267CS..Hα-helixtrans-58.1-47.3177.3-66163.7000110.5P86 D88 Q94 Q95 L96 Y144 L264P86-I92 HydrophobicContact CB-CD1 4.29Å; P86-I92 HydrophobicContact CB-CG1 3.89Å; P86-I92 HydrophobicContact CG-CD1 4.33Å; P86-I92 HydrophobicContact CG-CG1 4.02Å; D88-I92 WeakPolarHBondContact O-CG1 3.36Å; D88-I92 PolarHBondContact O-N 2.96Å; I92-Q94 VanDerWaalsContact C-N 3.34Å; I92-Q94 PolarHBondContact O-N 3.14Å; I92-Q95 PolarHBondContact O-N 3.03Å; I92-L96 HydrophobicContact CG2-CD1 3.73Å; I92-L96 HydrophobicContact CG2-CG 4.12Å; I92-L96 WeakPolarHBondContact O-CB 3.41Å; I92-L96 WeakPolarHBondContact O-CG 3.34Å; I92-L96 PolarHBondContact O-N 3.44Å; I92-Y144 HydrophobicContact CB-CD1 4.15Å; I92-Y144 HydrophobicContact CB-CE1 4.06Å; I92-Y144 HydrophobicContact CD1-CE1 4.08Å; I92-Y144 HydrophobicContact CG2-CD1 3.57Å; I92-Y144 HydrophobicContact CG2-CD2 4.49Å; I92-Y144 HydrophobicContact CG2-CE1 3.5Å; I92-Y144 HydrophobicContact CG2-CE2 4.46Å; I92-Y144 HydrophobicContact CG2-CG 4.11Å; I92-L264 HydrophobicContact CD1-CD1 4.27Å; I92-L264 HydrophobicContact CG2-CD1 4Å; I92-L264 HydrophobicContact CG2-CD2 4.02Å
93R97.2Very high96.2Very high86 Ų8649.6 Ų49.633%0.32524%0.244SC..Hα-helixtrans-57.8-45.2178.1-175.3-173.977.181.63.5112R89 E90 V91 N97 Y144 T146R89-R93 WeakPolarHBondContact O-CB 3.37Å; R89-R93 PolarHBondContact O-N 2.75Å; E90-R93 PolarHBondContact O-N 3.31Å; E90-R93 IonicContact OE1-CZ 3.51Å; E90-R93 IonicContact OE1-NE 2.73Å; E90-R93 PolarHBondContact OE1-NE 3.17Å; E90-R93 IonicContact OE1-NH2 3.34Å; E90-R93 PolarHBondContact OE1-NH2 2.97Å; E90-R93 IonicContact OE2-CZ 2.87Å; E90-R93 IonicContact OE2-NE 2.73Å; E90-R93 PolarHBondContact OE2-NE 3.37Å; E90-R93 IonicContact OE2-NH2 3.6Å; E90-R93 PolarHBondContact OE2-NH2 2.67Å; V91-R93 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 3.39Å; R93-N97 WeakPolarHBondContact O-CB 3.28Å; R93-N97 PolarHBondContact O-N 3.21Å; R93-N97 VanDerWaalsContact O-N 3.09Å; R93-N97 PolarHBondContact O-ND2 3.48Å; R93-N97 VanDerWaalsContact O-ND2 3.12Å; R93-Y144 WeakPolarHBondContact CD-O 3.23Å; R93-Y144 VanDerWaalsContact CG-O 3.27Å; R93-Y144 WeakPolarHBondContact CG-O 3.35Å; R93-T146 HydrophobicContact CB-CG2 4.26Å; R93-T146 HydrophobicContact CG-CG2 3.69Å
94Q96.5Very high96.4Very high95 Ų9550 Ų5044%0.44425%0.246SC..Hα-helixtrans-65.2-39.7178-71.1176.616.300112.2E90 V91 I92E90-Q94 VanDerWaalsContact O-CG 3.31Å; E90-Q94 WeakPolarHBondContact O-CG 3.43Å; E90-Q94 PolarHBondContact O-N 2.91Å; E90-Q94 PolarHBondContact OE1-NE2 3.07Å; V91-Q94 PolarHBondContact O-N 2.95Å; I92-Q94 VanDerWaalsContact C-N 3.34Å; I92-Q94 PolarHBondContact O-N 3.14Å
95Q96.7Very high96.6Very high13 Ų1345.1 Ų45.16%0.06122%0.224CC..Hα-helixtrans-66.6-49.2177.9-70.7175.8-11.400111.6V91 I92 N97 K98 L267 N268 M271V91-Q95 HydrophobicContact CG1-CG 4.32Å; V91-Q95 WeakPolarHBondContact O-CB 3.46Å; V91-Q95 VanDerWaalsContact O-CG 3.26Å; V91-Q95 WeakPolarHBondContact O-CG 3.17Å; V91-Q95 PolarHBondContact O-N 3.24Å; I92-Q95 PolarHBondContact O-N 3.03Å; Q95-N97 VanDerWaalsContact C-N 3.28Å; Q95-N97 PolarHBondContact O-N 3.21Å; Q95-K98 WeakPolarHBondContact O-CB 3.3Å; Q95-K98 PolarHBondContact O-N 3.48Å; Q95-L267 HydrophobicContact CB-CD2 3.85Å; Q95-L267 HydrophobicContact CB-CG 4.08Å; Q95-N268 PolarHBondContact NE2-OD1 3.36Å; Q95-M271 VanDerWaalsContact CA-SD 3.52Å; Q95-M271 HydrophobicContact CB-SD 3.62Å; Q95-M271 HydrophobicContact CG-CB 4.28Å; Q95-M271 HydrophobicContact CG-SD 3.63Å; Q95-M271 WeakPolarHBondContact O-CE 3.38Å
96L97.8Very high96.5Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-59.7-37.4177.4-72.1177.3000112.2I92 K98 L99 Y144 T146 I148 V262 L264 L267I92-L96 HydrophobicContact CG2-CD1 3.73Å; I92-L96 HydrophobicContact CG2-CG 4.12Å; I92-L96 WeakPolarHBondContact O-CB 3.41Å; I92-L96 WeakPolarHBondContact O-CG 3.34Å; I92-L96 PolarHBondContact O-N 3.44Å; L96-K98 PolarHBondContact O-N 3.34Å; L96-K98 VanDerWaalsContact O-N 3.17Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.11Å; L96-Y144 HydrophobicContact CD1-CD2 3.76Å; L96-Y144 HydrophobicContact CD1-CG 3.84Å; L96-T146 HydrophobicContact CB-CG2 3.76Å; L96-T146 HydrophobicContact CD1-CG2 4.16Å; L96-I148 HydrophobicContact CB-CD1 4.17Å; L96-I148 HydrophobicContact CB-CG1 4.3Å; L96-I148 HydrophobicContact CD1-CD1 4.49Å; L96-I148 HydrophobicContact CD2-CD1 3.85Å; L96-I148 HydrophobicContact CG-CD1 4.39Å; L96-V262 HydrophobicContact CD2-CG1 3.86Å; L96-L264 HydrophobicContact CD1-CD2 4.35Å; L96-L264 HydrophobicContact CD2-CD2 3.78Å; L96-L264 HydrophobicContact CG-CD2 4.25Å; L96-L267 HydrophobicContact CD2-CD2 3.86Å; L96-L267 HydrophobicContact CG-CD2 4.43Å
97N97.4Very high96.4Very high46 Ų4643 Ų4325%0.24622%0.221CC..Hα-helixtrans-65.8-16.2176.1-82.8-39.9000114R93 Q95 T146 N147 K247R93-N97 WeakPolarHBondContact O-CB 3.28Å; R93-N97 PolarHBondContact O-N 3.21Å; R93-N97 VanDerWaalsContact O-N 3.09Å; R93-N97 PolarHBondContact O-ND2 3.48Å; R93-N97 VanDerWaalsContact O-ND2 3.12Å; Q95-N97 VanDerWaalsContact C-N 3.28Å; Q95-N97 PolarHBondContact O-N 3.21Å; N97-T146 WeakPolarHBondContact OD1-CA 3.35Å; N97-N147 PolarHBondContact OD1-N 3.09Å; N97-N147 VanDerWaalsContact OD1-N 3.07Å; N97-K247 WeakPolarHBondContact O-CD 3.4Å; N97-K247 WeakPolarHBondContact O-CE 3.25Å; N97-K247 PolarHBondContact O-NZ 3.34Å
98K97.9Very high96.2Very high73 Ų7339.5 Ų39.532%0.31720%0.198SC..THydrogen-bonded Turntrans-94.6-1.3174.3-66.6169.4175.8-175.90113.3Q95 L96 Q248 W249 M271Q95-K98 WeakPolarHBondContact O-CB 3.3Å; Q95-K98 PolarHBondContact O-N 3.48Å; L96-K98 PolarHBondContact O-N 3.34Å; L96-K98 VanDerWaalsContact O-N 3.17Å; K98-Q248 HydrophobicContact CB-CB 4.28Å; K98-Q248 HydrophobicContact CB-CG 4.32Å; K98-Q248 HydrophobicContact CD-CG 4.4Å; K98-Q248 HydrophobicContact CG-CG 4.38Å; K98-Q248 PolarHBondContact O-N 3Å; K98-W249 PolarHBondContact O-N 3.47Å; K98-W249 VanDerWaalsContact O-N 3.11Å; K98-M271 HydrophobicContact CB-CE 3.46Å; K98-M271 VanDerWaalsContact CB-CE 3.46Å; K98-M271 HydrophobicContact CB-SD 4.23Å; K98-M271 HydrophobicContact CD-CE 4.29Å; K98-M271 HydrophobicContact CD-SD 4.06Å
99L98.5Very high95.9Very high0 Ų035.4 Ų35.40%018%0.176CC..EExtended strand (participates in β ladder)trans-93.7144.9-178.9-174.964.5000112.2L96 P149 K247 W249 F251 V262 L267 W339L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.11Å; L99-P149 WeakPolarHBondContact O-CD 3.49Å; L99-K247 WeakPolarHBondContact O-CD 3.48Å; L99-K247 PolarHBondContact O-NZ 2.7Å; L99-W249 CarbonylContact C-O 3.59Å; L99-W249 HydrophobicContact CD1-CB 4.13Å; L99-F251 HydrophobicContact CD1-CB 3.92Å; L99-V262 HydrophobicContact CD2-CB 4.4Å; L99-V262 HydrophobicContact CD2-CG1 3.52Å; L99-V262 HydrophobicContact CD2-CG2 3.94Å; L99-L267 HydrophobicContact CD1-CD1 4.26Å; L99-L267 HydrophobicContact CD2-CD2 4.33Å; L99-W339 HydrophobicContact CD1-CE3 4.23Å; L99-W339 HydrophobicContact CD1-CZ3 3.77Å; L99-W339 HydrophobicContact CD2-CZ3 4.32Å
100V98.5Very high95.5Very high0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-119.1129164.4179.20000108.2V102 P149 V151 M242 K247 W249 V250 F251V100-V102 HydrophobicContact CG1-CG2 4.22Å; V100-P149 HydrophobicContact CB-CG 4.32Å; V100-P149 HydrophobicContact CG1-CG 4.16Å; V100-P149 HydrophobicContact CG2-CG 3.97Å; V100-V151 HydrophobicContact CG1-CG2 3.67Å; V100-M242 HydrophobicContact CG1-SD 4.5Å; V100-M242 HydrophobicContact CG2-CB 4.15Å; V100-M242 HydrophobicContact CG2-CG 3.93Å; V100-M242 HydrophobicContact CG2-SD 3.76Å; V100-K247 HydrophobicContact CG2-CB 3.63Å; V100-K247 HydrophobicContact CG2-CD 4.05Å; V100-K247 HydrophobicContact CG2-CG 3.5Å; V100-W249 PolarHBondContact N-O 2.83Å; V100-V250 HydrophobicContact CB-CG2 4.33Å; V100-V250 WeakPolarHBondContact O-CA 3.39Å; V100-F251 PolarHBondContact O-N 2.86Å
101M98.3Very high95Very high3 Ų332.8 Ų32.82%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-92.9123174.6-17461.1-173.300109.8K103 I137 I148 P149 L150 V151 F251 S253 V262M101-K103 HydrophobicContact CE-CD 3.74Å; M101-K103 HydrophobicContact CE-CG 4.34Å; M101-K103 VanDerWaalsContact CE-NZ 3.33Å; M101-I137 HydrophobicContact CB-CD1 3.99Å; M101-I137 HydrophobicContact CG-CD1 3.82Å; M101-I148 HydrophobicContact CB-CG2 4.22Å; M101-P149 PolarHBondContact N-O 2.66Å; M101-L150 HydrophobicContact CB-CD1 4.36Å; M101-L150 HydrophobicContact CG-CD1 3.99Å; M101-L150 CarbonylContact O-C 3.39Å; M101-L150 WeakPolarHBondContact O-CA 3.38Å; M101-V151 PolarHBondContact O-N 2.83Å; M101-F251 HydrophobicContact CE-CD1 3.57Å; M101-F251 HydrophobicContact CE-CE1 3.52Å; M101-F251 HydrophobicContact CE-CG 4.41Å; M101-F251 HydrophobicContact CE-CZ 4.37Å; M101-F251 HydrophobicContact SD-CB 4.05Å; M101-F251 HydrophobicContact SD-CD1 3.17Å; M101-F251 WeakPolarHBondContact SD-CD1 3.44Å; M101-F251 HydrophobicContact SD-CE1 3.79Å; M101-F251 HydrophobicContact SD-CG 3.87Å; M101-S253 WeakPolarHBondContact CE-OG 3.48Å; M101-V262 HydrophobicContact SD-CG2 4.27Å
102V98.7Very high94.8Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-114.3128.4175.71770000109.7V100 V151 F229 V250 F251 M252 S253V100-V102 HydrophobicContact CG1-CG2 4.22Å; V102-V151 CarbonylContact C-O 3.51Å; V102-V151 WeakPolarHBondContact CA-O 3.18Å; V102-V151 HydrophobicContact CG2-CB 4.08Å; V102-F229 HydrophobicContact CB-CE2 4.39Å; V102-F229 HydrophobicContact CG1-CD2 4.13Å; V102-F229 HydrophobicContact CG1-CE2 3.68Å; V102-F229 HydrophobicContact CG1-CZ 4.39Å; V102-F229 HydrophobicContact CG2-CE2 4.05Å; V102-F229 HydrophobicContact CG2-CZ 4.2Å; V102-V250 HydrophobicContact CB-CG1 4.05Å; V102-V250 HydrophobicContact CG2-CG1 3.5Å; V102-F251 PolarHBondContact N-O 3.44Å; V102-M252 HydrophobicContact CB-CB 4.27Å; V102-M252 HydrophobicContact CB-CG 4.38Å; V102-M252 HydrophobicContact CG1-CG 4.13Å; V102-M252 WeakPolarHBondContact O-CA 3.39Å; V102-S253 PolarHBondContact O-N 3.38Å; V102-S253 VanDerWaalsContact O-N 3.08Å
103K98.3Very high94.4Very high2 Ų232.1 Ų32.11%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-113.8128.7171.1-68.4-66-164.2-174.90111.1M101 N105 T133 L150 V151 L152 M153 S253 I255 A260M101-K103 HydrophobicContact CE-CD 3.74Å; M101-K103 HydrophobicContact CE-CG 4.34Å; M101-K103 VanDerWaalsContact CE-NZ 3.33Å; K103-N105 PolarHBondContact O-N 2.84Å; K103-T133 HydrophobicContact CD-CG2 4.42Å; K103-T133 HydrophobicContact CG-CG2 3.99Å; K103-L150 HydrophobicContact CB-CD1 4.48Å; K103-L150 HydrophobicContact CG-CD1 3.9Å; K103-V151 PolarHBondContact N-O 3.45Å; K103-L152 HydrophobicContact CB-CD2 3.93Å; K103-M153 PolarHBondContact O-N 2.87Å; K103-S253 WeakPolarHBondContact CA-O 3.45Å; K103-S253 WeakPolarHBondContact CD-OG 3.07Å; K103-S253 PolarHBondContact NZ-OG 3.02Å; K103-I255 HydrophobicContact CB-CB 4.29Å; K103-I255 HydrophobicContact CB-CD1 3.91Å; K103-I255 HydrophobicContact CD-CD1 4.14Å; K103-I255 HydrophobicContact CG-CD1 3.8Å; K103-A260 PolarHBondContact NZ-O 3.24Å
104L98.1Very high93.9Very high18 Ų1829.6 Ų29.69%0.09418%0.183CC..EExtended strand (participates in β ladder)trans-73.7108.7173.6-56.4172.4000108.8M153 H226 M252 S253 N254 I255L104-M153 HydrophobicContact CD2-CE 3.36Å; L104-M153 HydrophobicContact CD2-SD 3.96Å; L104-H226 HydrophobicContact CD1-CB 3.84Å; L104-H226 HydrophobicContact CD2-CB 4.15Å; L104-M252 HydrophobicContact CD1-CG 4.37Å; L104-M252 HydrophobicContact CD1-SD 4.5Å; L104-M252 HydrophobicContact CD2-CG 4.05Å; L104-M252 HydrophobicContact CD2-SD 3.79Å; L104-M252 HydrophobicContact CG-CG 4.09Å; L104-M252 HydrophobicContact CG-SD 4.38Å; L104-S253 PolarHBondContact N-O 3.22Å; L104-N254 WeakPolarHBondContact CD1-OD1 3.16Å; L104-I255 WeakPolarHBondContact O-CG2 3.49Å; L104-I255 PolarHBondContact O-N 3.46Å
105N97.2Very high93.3Very high1 Ų131.6 Ų31.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-120.721.2-173.8-168.742.6000112.8K103 G107 S119 L152 M153 N154 T158 T162K103-N105 PolarHBondContact O-N 2.84Å; N105-G107 VanDerWaalsContact C-N 3.32Å; N105-G107 PolarHBondContact O-N 2.89Å; N105-S119 WeakPolarHBondContact OD1-CB 2.99Å; N105-S119 PolarHBondContact OD1-OG 2.7Å; N105-L152 HydrophobicContact CB-CB 4.37Å; N105-M153 CarbonylContact C-O 3.56Å; N105-M153 VanDerWaalsContact CA-O 3.27Å; N105-M153 WeakPolarHBondContact CA-O 3.4Å; N105-M153 WeakPolarHBondContact CB-O 3.25Å; N105-M153 PolarHBondContact N-O 3.15Å; N105-N154 PolarHBondContact ND2-OD1 3.08Å; N105-T158 WeakPolarHBondContact O-CB 3.48Å; N105-T158 WeakPolarHBondContact O-CG2 3.23Å; N105-T158 PolarHBondContact O-OG1 3.47Å; N105-T162 PolarHBondContact ND2-OG1 2.73Å
106G93.2Very high92.9Very high14 Ų1432 Ų3214%0.14421%0.209CC..  trans-76.9-16179.500000114.7M153 S155G106-M153 PolarHBondContact N-O 3.1Å; G106-S155 PolarHBondContact O-OG 3.38Å
107G89.4Confident92.7Very high41 Ų4132 Ų3242%0.42321%0.21SC..  trans-84139.5-171.900000114.4N105 K118N105-G107 VanDerWaalsContact C-N 3.32Å; N105-G107 PolarHBondContact O-N 2.89Å; G107-K118 WeakPolarHBondContact O-CB 3.4Å; G107-K118 PolarHBondContact O-N 2.99Å
108L89.4Confident92.5Very high54 Ų5430.9 Ų30.928%0.28320%0.203SC..BIsolated β-bridgetrans-88155.7172.2-66.8172.1000111.9T110 N157 T158L108-T110 HydrophobicContact CB-CG2 3.92Å; L108-T110 HydrophobicContact CD1-CG2 4.18Å; L108-T110 PolarHBondContact O-N 3.39Å; L108-N157 HydrophobicContact CD1-CB 4Å; L108-N157 HydrophobicContact CD2-CB 4.01Å; L108-N157 HydrophobicContact CG-CB 4.08Å; L108-T158 HydrophobicContact CD2-CG2 3.93Å
109G87.9Confident92.3Very high2 Ų227.4 Ų27.42%0.02119%0.188CC..SBendtrans-79.616173.700000115.2T111 M112 G113 C114 G116G109-T111 VanDerWaalsContact C-N 3.31Å; G109-T111 PolarHBondContact O-N 2.99Å; G109-M112 CarbonylContact O-C 3.46Å; G109-M112 WeakPolarHBondContact O-CA 3.26Å; G109-M112 PolarHBondContact O-N 3Å; G109-G113 PolarHBondContact O-N 3.31Å; G109-C114 CarbonylContact C-O 3.33Å; G109-C114 PolarHBondContact O-N 2.81Å; G109-G116 PolarHBondContact N-O 3.14Å
110T87.1Confident92.1Very high91 Ų9129.6 Ų29.656%0.55820%0.199SC*.G310 helixtrans-60.3-36.4-169.5490000113.3L108 M112 G113 C114L108-T110 HydrophobicContact CB-CG2 3.92Å; L108-T110 HydrophobicContact CD1-CG2 4.18Å; L108-T110 PolarHBondContact O-N 3.39Å; T110-M112 PolarHBondContact O-N 3.25Å; T110-G113 WeakPolarHBondContact O-CA 3.48Å; T110-G113 PolarHBondContact O-N 3.29Å; T110-C114 WeakPolarHBondContact CA-O 3.44Å; T110-C114 PolarHBondContact N-O 3.12Å
111T85.8Confident91.8Very high91 Ų9130 Ų3056%0.55820%0.201SC*.G310 helixtrans-59.1-31.7175.5-52.10000112.3G109G109-T111 VanDerWaalsContact C-N 3.31Å; G109-T111 PolarHBondContact O-N 2.99Å
112M89.9Confident91.5Very high2 Ų232.1 Ų32.11%0.0122%0.216CC..G310 helixtrans-98.714.5174.8-59.1-167-81.900112.5G109 T110 C114 K118 I121 K443 K444 V445G109-M112 CarbonylContact O-C 3.46Å; G109-M112 WeakPolarHBondContact O-CA 3.26Å; G109-M112 PolarHBondContact O-N 3Å; T110-M112 PolarHBondContact O-N 3.25Å; M112-C114 VanDerWaalsContact C-N 3.3Å; M112-C114 PolarHBondContact O-N 2.68Å; M112-K118 HydrophobicContact CE-CG 4.39Å; M112-I121 HydrophobicContact CE-CD1 3.33Å; M112-I121 HydrophobicContact CE-CG2 4.47Å; M112-K443 WeakPolarHBondContact CA-O 3.38Å; M112-K444 CarbonylContact O-C 3.55Å; M112-K444 VanDerWaalsContact O-CA 3.29Å; M112-K444 WeakPolarHBondContact O-CA 3.4Å; M112-V445 HydrophobicContact CB-CG2 3.71Å; M112-V445 WeakPolarHBondContact O-CG2 3.33Å; M112-V445 PolarHBondContact O-N 2.75Å; M112-V445 HydrophobicContact SD-CG2 4.41Å
113G87.7Confident91.2Very high42 Ų4232.1 Ų32.143%0.43322%0.216SC..THydrogen-bonded Turntrans73.214.3176.800000115.5G109 T110G109-G113 PolarHBondContact O-N 3.31Å; T110-G113 WeakPolarHBondContact O-CA 3.48Å; T110-G113 PolarHBondContact O-N 3.29Å
114C87.8Confident90.7Very high34 Ų3433.8 Ų33.823%0.2322%0.222CC..  trans-93.4138.4173.8-61.90000110.2G109 T110 M112 I121G109-C114 CarbonylContact C-O 3.33Å; G109-C114 PolarHBondContact O-N 2.81Å; T110-C114 WeakPolarHBondContact CA-O 3.44Å; T110-C114 PolarHBondContact N-O 3.12Å; M112-C114 VanDerWaalsContact C-N 3.3Å; M112-C114 PolarHBondContact O-N 2.68Å; C114-I121 HydrophobicContact CB-CD1 4.13Å; C114-I121 HydrophobicContact CB-CG1 4.21Å
115T84.6Confident90.1Very high137 Ų13737.5 Ų37.584%0.8425%0.25SC*.SBendtrans-82.4-23.4-179.849.30000113.3
116G88.5Confident89.7Confident20 Ų2044.5 Ų44.521%0.20629%0.287CS..SBendtrans-90.9-175.8-176.500000115.3G109 K118G109-G116 PolarHBondContact N-O 3.14Å; G116-K118 PolarHBondContact O-N 2.83Å
117P92.7Very high89.8Confident2 Ų245.5 Ų45.51%0.01329%0.289CS..BIsolated β-bridgetrans-52.3137.9171-19.126.1000111.3S119 L120 T158 E161P117-S119 PolarHBondContact O-N 2.82Å; P117-S119 VanDerWaalsContact O-N 3.17Å; P117-L120 HydrophobicContact CB-CD1 4.45Å; P117-L120 HydrophobicContact CB-CG 4.22Å; P117-L120 HydrophobicContact CG-CD1 3.96Å; P117-L120 HydrophobicContact CG-CG 4.28Å; P117-L120 PolarHBondContact O-N 3.01Å; P117-L120 VanDerWaalsContact O-N 3.1Å; P117-T158 HydrophobicContact CB-CG2 3.86Å; P117-T158 HydrophobicContact CG-CG2 4.05Å; P117-E161 HydrophobicContact CG-CB 3.86Å
118K92.6Very high90.1Very high22 Ų2244.4 Ų44.410%0.09627%0.274CS..G310 helixtrans-59.5-30.3178.2-166.3174.2-178.2179.60112.5G107 M112 G116 L120 I121 F129 D256 V401G107-K118 WeakPolarHBondContact O-CB 3.4Å; G107-K118 PolarHBondContact O-N 2.99Å; M112-K118 HydrophobicContact CE-CG 4.39Å; G116-K118 PolarHBondContact O-N 2.83Å; K118-L120 PolarHBondContact O-N 2.65Å; K118-I121 HydrophobicContact CG-CD1 3.99Å; K118-I121 WeakPolarHBondContact O-CB 3.23Å; K118-I121 WeakPolarHBondContact O-CG1 3.21Å; K118-I121 PolarHBondContact O-N 3.39Å; K118-F129 VanDerWaalsContact O-CD2 3.27Å; K118-F129 WeakPolarHBondContact O-CD2 3.35Å; K118-D256 HydrophobicContact CD-CB 3.94Å; K118-D256 WeakPolarHBondContact CE-OD2 3.24Å; K118-D256 IonicContact NZ-OD2 2.69Å; K118-D256 PolarHBondContact NZ-OD2 3.5Å; K118-V401 WeakPolarHBondContact CE-O 2.96Å; K118-V401 PolarHBondContact NZ-O 2.92Å
119S93.6Very high90.4Very high0 Ų041.8 Ų41.80%026%0.26CS..G310 helixtrans-61.9-22.8178.253.80000114.9N105 P117 T128 F129 L130N105-S119 WeakPolarHBondContact OD1-CB 2.99Å; N105-S119 PolarHBondContact OD1-OG 2.7Å; P117-S119 PolarHBondContact O-N 2.82Å; P117-S119 VanDerWaalsContact O-N 3.17Å; S119-T128 WeakPolarHBondContact O-CB 3.25Å; S119-F129 PolarHBondContact O-N 2.94Å; S119-L130 PolarHBondContact O-N 3.24Å; S119-L130 VanDerWaalsContact O-N 3.16Å
120L94.6Very high90.8Very high45 Ų4541.7 Ų41.724%0.23626%0.259CS..G310 helixtrans-91.80.7-179.2-59.1-175.3000113.3P117 K118 S122 T128 L130 E161 V165P117-L120 HydrophobicContact CB-CD1 4.45Å; P117-L120 HydrophobicContact CB-CG 4.22Å; P117-L120 HydrophobicContact CG-CD1 3.96Å; P117-L120 HydrophobicContact CG-CG 4.28Å; P117-L120 PolarHBondContact O-N 3.01Å; P117-L120 VanDerWaalsContact O-N 3.1Å; K118-L120 PolarHBondContact O-N 2.65Å; L120-S122 PolarHBondContact O-N 2.8Å; L120-T128 VanDerWaalsContact O-CG2 3.28Å; L120-T128 WeakPolarHBondContact O-CG2 3.46Å; L120-L130 HydrophobicContact CD2-CD2 4.42Å; L120-E161 HydrophobicContact CD1-CB 4.41Å; L120-V165 HydrophobicContact CD1-CG2 3.87Å; L120-V165 HydrophobicContact CD2-CB 4.09Å; L120-V165 HydrophobicContact CD2-CG1 3.96Å; L120-V165 HydrophobicContact CD2-CG2 3.93Å
121I92.9Very high91.3Very high9 Ų937.8 Ų37.85%0.04624%0.235CC..SBendtrans-70.9130.8173.9-62.5176000108.5M112 C114 K118 V123 T128 F129 V445M112-I121 HydrophobicContact CE-CD1 3.33Å; M112-I121 HydrophobicContact CE-CG2 4.47Å; C114-I121 HydrophobicContact CB-CD1 4.13Å; C114-I121 HydrophobicContact CB-CG1 4.21Å; K118-I121 HydrophobicContact CG-CD1 3.99Å; K118-I121 WeakPolarHBondContact O-CB 3.23Å; K118-I121 WeakPolarHBondContact O-CG1 3.21Å; K118-I121 PolarHBondContact O-N 3.39Å; I121-V123 PolarHBondContact O-N 2.82Å; I121-T128 VanDerWaalsContact O-CA 3.29Å; I121-T128 WeakPolarHBondContact O-CA 3.46Å; I121-F129 HydrophobicContact CB-CD2 4.32Å; I121-F129 HydrophobicContact CB-CE2 4.02Å; I121-F129 HydrophobicContact CG2-CE2 4.36Å; I121-V445 HydrophobicContact CG2-CG2 4.35Å
122S92.6Very high91.8Very high47 Ų4733.4 Ų33.433%0.32921%0.208SC..EExtended strand (participates in β ladder)trans-69.1126.9174.6-170.70000110.6L120 N126L120-S122 PolarHBondContact O-N 2.8Å; S122-N126 WeakPolarHBondContact OG-CA 3.45Å
123V91.6Very high92.1Very high0 Ų033.6 Ų33.60%021%0.209CC..EExtended strand (participates in β ladder)trans-103.9-47.4-176.4-177.90000110.9I121 L127 F129 L132 L258 L407 V410 M411I121-V123 PolarHBondContact O-N 2.82Å; V123-L127 PolarHBondContact N-O 2.84Å; V123-F129 HydrophobicContact CG2-CB 4.47Å; V123-F129 HydrophobicContact CG2-CD1 3.69Å; V123-F129 HydrophobicContact CG2-CD2 3.44Å; V123-F129 VanDerWaalsContact CG2-CD2 3.44Å; V123-F129 HydrophobicContact CG2-CE1 3.6Å; V123-F129 HydrophobicContact CG2-CE2 3.36Å; V123-F129 HydrophobicContact CG2-CG 3.59Å; V123-F129 HydrophobicContact CG2-CZ 3.42Å; V123-F129 VanDerWaalsContact CG2-CZ 3.42Å; V123-L132 HydrophobicContact CB-CD1 4.03Å; V123-L132 HydrophobicContact CG1-CD1 4.09Å; V123-L132 HydrophobicContact CG2-CD1 4.47Å; V123-L258 HydrophobicContact CG1-CD1 3.6Å; V123-L407 HydrophobicContact CG1-CD1 4.47Å; V123-V410 HydrophobicContact CG1-CB 4.43Å; V123-V410 HydrophobicContact CG1-CG2 3.67Å; V123-M411 WeakPolarHBondContact O-CG 3.22Å
124R88Confident92.6Very high38 Ų3831.7 Ų31.714%0.14319%0.19CC..EExtended strand (participates in β ladder)trans-155.5132.1-173.5-171.7165.6178.7140.8-4.1111.1N126 L127 V410 S412 Y415 L417R124-N126 PolarHBondContact O-N 3Å; R124-L127 PolarHBondContact N-O 3.42Å; R124-L127 WeakPolarHBondContact O-CA 3.38Å; R124-L127 WeakPolarHBondContact O-CB 3.27Å; R124-L127 PolarHBondContact O-N 2.82Å; R124-V410 PolarHBondContact NH1-O 3.32Å; R124-S412 PolarHBondContact NH1-O 3.25Å; R124-Y415 VanDerWaalsContact NH1-C 3.3Å; R124-Y415 PolarHBondContact NH1-O 3.23Å; R124-Y415 PolarHBondContact NH2-O 2.84Å; R124-L417 HydrophobicContact CG-CD2 4.28Å
125S85.5Confident93Very high96 Ų9632.8 Ų32.867%0.67119%0.191SC*.THydrogen-bonded Turntrans50.441.9177.4-53.90000113.5L127S125-L127 PolarHBondContact O-N 2.78Å; S125-L127 VanDerWaalsContact O-N 3.14Å
126N88.6Confident93.6Very high147 Ų14727.1 Ų27.179%0.78616%0.155SC*.THydrogen-bonded Turntrans64.54.8-174.4-56.9-36.1000115.9S122 R124S122-N126 WeakPolarHBondContact OG-CA 3.45Å; R124-N126 PolarHBondContact O-N 3Å
127L94.3Very high94Very high35 Ų3526.3 Ų26.318%0.18315%0.146CC..EExtended strand (participates in β ladder)trans-82.7135.1173.1-56.5174.6000110.3V123 R124 S125 D131 L132 L417V123-L127 PolarHBondContact N-O 2.84Å; R124-L127 PolarHBondContact N-O 3.42Å; R124-L127 WeakPolarHBondContact O-CA 3.38Å; R124-L127 WeakPolarHBondContact O-CB 3.27Å; R124-L127 PolarHBondContact O-N 2.82Å; S125-L127 PolarHBondContact O-N 2.78Å; S125-L127 VanDerWaalsContact O-N 3.14Å; L127-D131 HydrophobicContact CB-CB 3.97Å; L127-D131 HydrophobicContact CD2-CB 4.07Å; L127-L132 HydrophobicContact CB-CD2 4.14Å; L127-L132 HydrophobicContact CB-CG 4.3Å; L127-L132 HydrophobicContact CD1-CD2 3.9Å; L127-L417 HydrophobicContact CD1-CD2 3.87Å
128T95.9Very high94.2Very high18 Ų1828.9 Ų28.911%0.1116%0.158CC..EExtended strand (participates in β ladder)trans-84.6169.6175.266.70000111.8S119 L120 I121 L130 D131 L132S119-T128 WeakPolarHBondContact O-CB 3.25Å; L120-T128 VanDerWaalsContact O-CG2 3.28Å; L120-T128 WeakPolarHBondContact O-CG2 3.46Å; I121-T128 VanDerWaalsContact O-CA 3.29Å; I121-T128 WeakPolarHBondContact O-CA 3.46Å; T128-L130 PolarHBondContact O-N 3.33Å; T128-D131 WeakPolarHBondContact CB-OD2 3.36Å; T128-D131 WeakPolarHBondContact CG2-OD2 3.49Å; T128-D131 PolarHBondContact N-OD2 2.93Å; T128-D131 WeakPolarHBondContact O-CB 3.38Å; T128-D131 PolarHBondContact O-N 3.24Å; T128-D131 VanDerWaalsContact OG1-CG 3.25Å; T128-D131 PolarHBondContact OG1-N 2.89Å; T128-D131 VanDerWaalsContact OG1-N 3.13Å; T128-D131 PolarHBondContact OG1-OD2 2.84Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 3.3Å
129F96.5Very high94.4Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-56.9-37.9172.1-67.5-86.3000112.1K118 S119 I121 V123 T133 I255 D256 L258 V401K118-F129 VanDerWaalsContact O-CD2 3.27Å; K118-F129 WeakPolarHBondContact O-CD2 3.35Å; S119-F129 PolarHBondContact O-N 2.94Å; I121-F129 HydrophobicContact CB-CD2 4.32Å; I121-F129 HydrophobicContact CB-CE2 4.02Å; I121-F129 HydrophobicContact CG2-CE2 4.36Å; V123-F129 HydrophobicContact CG2-CB 4.47Å; V123-F129 HydrophobicContact CG2-CD1 3.69Å; V123-F129 HydrophobicContact CG2-CD2 3.44Å; V123-F129 VanDerWaalsContact CG2-CD2 3.44Å; V123-F129 HydrophobicContact CG2-CE1 3.6Å; V123-F129 HydrophobicContact CG2-CE2 3.36Å; V123-F129 HydrophobicContact CG2-CG 3.59Å; V123-F129 HydrophobicContact CG2-CZ 3.42Å; V123-F129 VanDerWaalsContact CG2-CZ 3.42Å; F129-T133 PolarHBondContact O-N 3.12Å; F129-T133 PolarHBondContact O-OG1 3.36Å; F129-I255 HydrophobicContact CB-CG1 4.06Å; F129-I255 WeakPolarHBondContact CD1-O 3.4Å; F129-D256 HydrophobicContact CE1-CB 4.3Å; F129-L258 HydrophobicContact CD1-CD1 4.42Å; F129-L258 HydrophobicContact CD1-CD2 3.52Å; F129-L258 HydrophobicContact CD1-CG 3.97Å; F129-L258 HydrophobicContact CE1-CD1 3.98Å; F129-L258 HydrophobicContact CE1-CD2 3.93Å; F129-L258 HydrophobicContact CE1-CG 3.87Å; F129-V401 HydrophobicContact CE1-CB 3.8Å; F129-V401 HydrophobicContact CE1-CG1 4.44Å; F129-V401 HydrophobicContact CE1-CG2 3.91Å; F129-V401 HydrophobicContact CZ-CB 3.62Å; F129-V401 HydrophobicContact CZ-CG1 3.82Å; F129-V401 HydrophobicContact CZ-CG2 4.12Å
130L96.8Very high94.5Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-66-44.7176.6-177.257.5000111.3S119 L120 T128 L132 T133 V134 L150 L152 L166 Y169S119-L130 PolarHBondContact O-N 3.24Å; S119-L130 VanDerWaalsContact O-N 3.16Å; L120-L130 HydrophobicContact CD2-CD2 4.42Å; T128-L130 PolarHBondContact O-N 3.33Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.07Å; L130-T133 PolarHBondContact O-N 2.93Å; L130-V134 HydrophobicContact CD1-CG2 4.15Å; L130-V134 HydrophobicContact CG-CG2 4.43Å; L130-V134 WeakPolarHBondContact O-CB 3.3Å; L130-V134 VanDerWaalsContact O-CG2 3.31Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 3.24Å; L130-L150 HydrophobicContact CD1-CD2 4.31Å; L130-L152 HydrophobicContact CD1-CD1 3.85Å; L130-L152 HydrophobicContact CD1-CD2 4.06Å; L130-L152 HydrophobicContact CD2-CD1 4.37Å; L130-L166 HydrophobicContact CD2-CD2 4.26Å; L130-Y169 HydrophobicContact CD2-CE2 3.74Å; L130-Y169 HydrophobicContact CG-CE2 3.97Å
131D96.7Very high94.6Very high8 Ų831.8 Ų31.84%0.04317%0.167CC..Hα-helixtrans-57.1-46.4176.4-69.6-61.5000111.6L127 T128 T133 V134 Q135 K168 Y169L127-D131 HydrophobicContact CB-CB 3.97Å; L127-D131 HydrophobicContact CD2-CB 4.07Å; T128-D131 WeakPolarHBondContact CB-OD2 3.36Å; T128-D131 WeakPolarHBondContact CG2-OD2 3.49Å; T128-D131 PolarHBondContact N-OD2 2.93Å; T128-D131 WeakPolarHBondContact O-CB 3.38Å; T128-D131 PolarHBondContact O-N 3.24Å; T128-D131 VanDerWaalsContact OG1-CG 3.25Å; T128-D131 PolarHBondContact OG1-N 2.89Å; T128-D131 VanDerWaalsContact OG1-N 3.13Å; T128-D131 PolarHBondContact OG1-OD2 2.84Å; D131-T133 PolarHBondContact O-N 3.4Å; D131-V134 PolarHBondContact O-N 3.42Å; D131-Q135 WeakPolarHBondContact O-CG 3.17Å; D131-Q135 PolarHBondContact O-N 2.89Å; D131-K168 WeakPolarHBondContact OD1-CE 3.41Å; D131-K168 IonicContact OD1-NZ 3.17Å; D131-K168 PolarHBondContact OD1-NZ 2.87Å; D131-K168 IonicContact OD2-NZ 3.88Å; D131-K168 PolarHBondContact OD2-NZ 3.05Å; D131-Y169 WeakPolarHBondContact OD1-CE1 3.25Å; D131-Y169 PolarHBondContact OD1-OH 3.42Å
132L96.7Very high94.8Very high0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-62.1-44.5179.2-67.1175.6000111.4V123 L127 T128 L130 V134 Q135 Q136 L258 L417V123-L132 HydrophobicContact CB-CD1 4.03Å; V123-L132 HydrophobicContact CG1-CD1 4.09Å; V123-L132 HydrophobicContact CG2-CD1 4.47Å; L127-L132 HydrophobicContact CB-CD2 4.14Å; L127-L132 HydrophobicContact CB-CG 4.3Å; L127-L132 HydrophobicContact CD1-CD2 3.9Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 3.3Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 3.07Å; L132-V134 VanDerWaalsContact C-N 3.35Å; L132-V134 PolarHBondContact O-N 3.26Å; L132-Q135 PolarHBondContact O-N 3.43Å; L132-Q136 VanDerWaalsContact O-CG 3.23Å; L132-Q136 WeakPolarHBondContact O-CG 3.43Å; L132-Q136 PolarHBondContact O-N 3.23Å; L132-L258 HydrophobicContact CD1-CD2 3.66Å; L132-L417 HydrophobicContact CD2-CD1 3.54Å; L132-L417 HydrophobicContact CD2-CD2 4.17Å
133T97.1Very high95Very high5 Ų537.3 Ų37.33%0.03119%0.191CC..Hα-helixtrans-62.7-42.8177.3-580000111.6K103 F129 L130 D131 Q136 I137 L150 I255K103-T133 HydrophobicContact CD-CG2 4.42Å; K103-T133 HydrophobicContact CG-CG2 3.99Å; F129-T133 PolarHBondContact O-N 3.12Å; F129-T133 PolarHBondContact O-OG1 3.36Å; L130-T133 PolarHBondContact O-N 2.93Å; D131-T133 PolarHBondContact O-N 3.4Å; T133-Q136 PolarHBondContact O-N 2.83Å; T133-I137 HydrophobicContact CG2-CD1 4.08Å; T133-I137 WeakPolarHBondContact O-CG1 3.32Å; T133-I137 PolarHBondContact O-N 3.48Å; T133-L150 HydrophobicContact CG2-CD1 3.99Å; T133-L150 HydrophobicContact CG2-CD2 4.09Å; T133-I255 HydrophobicContact CG2-CD1 4.46Å; T133-I255 VanDerWaalsContact OG1-CD1 3.3Å; T133-I255 WeakPolarHBondContact OG1-CD1 3.5Å
134V97.2Very high95.2Very high3 Ų339.1 Ų39.12%0.01820%0.198CC..Hα-helixtrans-63.5-44.6178.31700000110.6L130 D131 L132 Q136 I137 E138 L150 Y169 V172 V174 I176L130-V134 HydrophobicContact CD1-CG2 4.15Å; L130-V134 HydrophobicContact CG-CG2 4.43Å; L130-V134 WeakPolarHBondContact O-CB 3.3Å; L130-V134 VanDerWaalsContact O-CG2 3.31Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 3.24Å; D131-V134 PolarHBondContact O-N 3.42Å; L132-V134 VanDerWaalsContact C-N 3.35Å; L132-V134 PolarHBondContact O-N 3.26Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 2.82Å; V134-I137 PolarHBondContact O-N 3.45Å; V134-E138 VanDerWaalsContact O-CB 3.27Å; V134-E138 WeakPolarHBondContact O-CB 3.29Å; V134-E138 PolarHBondContact O-N 3.49Å; V134-L150 HydrophobicContact CG2-CD2 3.89Å; V134-Y169 HydrophobicContact CB-CD1 4.31Å; V134-Y169 HydrophobicContact CB-CE1 4.26Å; V134-Y169 HydrophobicContact CG1-CD1 3.8Å; V134-Y169 HydrophobicContact CG1-CE1 4.21Å; V134-Y169 HydrophobicContact CG1-CG 4.37Å; V134-Y169 HydrophobicContact CG2-CD1 4.23Å; V134-Y169 HydrophobicContact CG2-CE1 4.19Å; V134-Y169 HydrophobicContact CG2-CG 4.4Å; V134-V172 HydrophobicContact CG1-CB 4.45Å; V134-V172 HydrophobicContact CG1-CG1 3.59Å; V134-V174 HydrophobicContact CG1-CG2 4.4Å; V134-I176 HydrophobicContact CG2-CD1 3.73Å
135Q96.4Very high95.6Very high57 Ų5740 Ų4027%0.26622%0.219SC..Hα-helixtrans-60.7-39.9176.3-75.2178.315.600112.9D131 L132 I137 R139D131-Q135 WeakPolarHBondContact O-CG 3.17Å; D131-Q135 PolarHBondContact O-N 2.89Å; L132-Q135 PolarHBondContact O-N 3.43Å; Q135-I137 PolarHBondContact O-N 2.87Å; Q135-R139 WeakPolarHBondContact O-CB 3.49Å; Q135-R139 PolarHBondContact O-N 3.28Å
136Q96.7Very high96.1Very high17 Ų1735.9 Ų35.98%0.07919%0.19CC..Hα-helixtrans-59.8-47177-71.51697.200111.5L132 T133 V134 L140 G420L132-Q136 VanDerWaalsContact O-CG 3.23Å; L132-Q136 WeakPolarHBondContact O-CG 3.43Å; L132-Q136 PolarHBondContact O-N 3.23Å; T133-Q136 PolarHBondContact O-N 2.83Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 2.82Å; Q136-L140 WeakPolarHBondContact O-CG 3.19Å; Q136-L140 PolarHBondContact O-N 3.05Å; Q136-G420 PolarHBondContact NE2-O 3.43Å
137I97.2Very high96.4Very high3 Ų332.4 Ų32.42%0.01517%0.171CC..Hα-helixtrans-74.3-39.3-177.7-59.7170000110.8M101 T133 V134 Q135 R139 L140 N141 I148 L150 V174M101-I137 HydrophobicContact CB-CD1 3.99Å; M101-I137 HydrophobicContact CG-CD1 3.82Å; T133-I137 HydrophobicContact CG2-CD1 4.08Å; T133-I137 WeakPolarHBondContact O-CG1 3.32Å; T133-I137 PolarHBondContact O-N 3.48Å; V134-I137 PolarHBondContact O-N 3.45Å; Q135-I137 PolarHBondContact O-N 2.87Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 2.98Å; I137-L140 PolarHBondContact O-N 2.91Å; I137-N141 WeakPolarHBondContact O-CB 3.18Å; I137-N141 PolarHBondContact O-N 3.22Å; I137-I148 HydrophobicContact CG2-CB 3.94Å; I137-I148 HydrophobicContact CG2-CG2 4.25Å; I137-L150 HydrophobicContact CD1-CB 3.76Å; I137-L150 HydrophobicContact CD1-CD1 3.79Å; I137-L150 HydrophobicContact CD1-CD2 4.12Å; I137-L150 HydrophobicContact CD1-CG 4.08Å; I137-V174 HydrophobicContact CB-CG1 4.31Å; I137-V174 HydrophobicContact CB-CG2 4.04Å; I137-V174 HydrophobicContact CG2-CG1 3.89Å; I137-V174 HydrophobicContact CG2-CG2 3.94Å
138E96.9Very high96.6Very high56 Ų5630.7 Ų30.726%0.26216%0.162SC..Hα-helixtrans-57.5-46.6174.9176.4174.9-140.600110.8V134 L140 N141 N142 V172 V174V134-E138 VanDerWaalsContact O-CB 3.27Å; V134-E138 WeakPolarHBondContact O-CB 3.29Å; V134-E138 PolarHBondContact O-N 3.49Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.37Å; E138-N141 PolarHBondContact O-N 2.91Å; E138-N142 WeakPolarHBondContact CG-ND2 3.5Å; E138-N142 WeakPolarHBondContact O-CB 3.39Å; E138-N142 VanDerWaalsContact O-CG 3.23Å; E138-N142 PolarHBondContact O-N 3.33Å; E138-N142 PolarHBondContact O-ND2 3.35Å; E138-V172 HydrophobicContact CB-CG1 4.04Å; E138-V172 HydrophobicContact CG-CG1 4.07Å; E138-V172 WeakPolarHBondContact OE1-CG1 3.5Å; E138-V174 HydrophobicContact CB-CG2 3.76Å
139R96.2Very high96.7Very high99 Ų9929.9 Ų29.937%0.37416%0.157SC..Hα-helixtrans-56.9-48.3176.5-179.9177.6178.8164.25.8111.2Q135 I137 N142 E143 D418Q135-R139 WeakPolarHBondContact O-CB 3.49Å; Q135-R139 PolarHBondContact O-N 3.28Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 2.98Å; R139-N142 PolarHBondContact O-N 2.98Å; R139-E143 IonicContact NE-OE2 3.63Å; R139-E143 WeakPolarHBondContact O-CB 3.46Å; R139-E143 PolarHBondContact O-N 3.22Å; R139-D418 IonicContact CZ-OD2 3.08Å; R139-D418 IonicContact NH1-OD1 2.65Å; R139-D418 PolarHBondContact NH1-OD1 2.81Å; R139-D418 IonicContact NH1-OD2 3.49Å; R139-D418 PolarHBondContact NH1-OD2 2.97Å; R139-D418 IonicContact NH2-OD2 2.67Å; R139-D418 PolarHBondContact NH2-OD2 2.89Å
140L96.3Very high96.8Very high29 Ų2929.9 Ų29.915%0.15216%0.157CC..Hα-helixtrans-62.1-44.3178.7-70.3170.7000112.1Q136 I137 E138 N142 E143 Y144 I148 V262Q136-L140 WeakPolarHBondContact O-CG 3.19Å; Q136-L140 PolarHBondContact O-N 3.05Å; I137-L140 PolarHBondContact O-N 2.91Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 3.37Å; L140-N142 PolarHBondContact O-N 2.99Å; L140-E143 PolarHBondContact O-N 3.37Å; L140-Y144 HydrophobicContact CD2-CD2 4.31Å; L140-Y144 HydrophobicContact CD2-CE2 4.12Å; L140-Y144 WeakPolarHBondContact O-CD2 3.45Å; L140-Y144 PolarHBondContact O-N 3.48Å; L140-I148 HydrophobicContact CB-CD1 4.05Å; L140-I148 HydrophobicContact CD1-CD1 4.3Å; L140-V262 HydrophobicContact CD1-CB 3.77Å; L140-V262 HydrophobicContact CD1-CG1 4.32Å; L140-V262 HydrophobicContact CD1-CG2 4.06Å
141N97.2Very high96.9Very high1 Ų129.9 Ų29.91%0.00516%0.157CC..Hα-helixtrans-62-43.1177.8-74.9-17.5000111.9I137 E138 G145 T146 I148 N173I137-N141 WeakPolarHBondContact O-CB 3.18Å; I137-N141 PolarHBondContact O-N 3.22Å; E138-N141 PolarHBondContact O-N 2.91Å; N141-G145 VanDerWaalsContact O-CA 3.23Å; N141-G145 WeakPolarHBondContact O-CA 3.44Å; N141-G145 PolarHBondContact O-N 3.18Å; N141-T146 WeakPolarHBondContact CA-OG1 3.38Å; N141-T146 VanDerWaalsContact CB-O 3.28Å; N141-T146 WeakPolarHBondContact CB-O 3.18Å; N141-T146 VanDerWaalsContact CG-O 3.23Å; N141-T146 PolarHBondContact O-N 2.8Å; N141-T146 VanDerWaalsContact O-N 3.14Å; N141-T146 PolarHBondContact OD1-O 3.31Å; N141-T146 VanDerWaalsContact OD1-O 3.12Å; N141-T146 PolarHBondContact OD1-OG1 2.63Å; N141-T146 VanDerWaalsContact OD1-OG1 3.09Å; N141-I148 WeakPolarHBondContact OD1-CG1 3.28Å; N141-I148 PolarHBondContact OD1-N 3.27Å; N141-N173 PolarHBondContact ND2-O 3.12Å
142N96.6Very high96.9Very high96 Ų9629.5 Ų29.551%0.51316%0.155SC..Hα-helixtrans-70.2-40.3178.1-69-19000112.2E138 R139 L140 N173E138-N142 WeakPolarHBondContact CG-ND2 3.5Å; E138-N142 WeakPolarHBondContact O-CB 3.39Å; E138-N142 VanDerWaalsContact O-CG 3.23Å; E138-N142 PolarHBondContact O-N 3.33Å; E138-N142 PolarHBondContact O-ND2 3.35Å; R139-N142 PolarHBondContact O-N 2.98Å; L140-N142 PolarHBondContact O-N 2.99Å; N142-N173 PolarHBondContact OD1-ND2 3.21Å
143E95.8Very high97Very high76 Ų7629.6 Ų29.636%0.35516%0.155SC..Hα-helixtrans-69.8-44.1-178.4-172.8178.215000111.7R89 R139 L140R89-E143 PolarHBondContact NH2-O 2.8Å; R139-E143 IonicContact NE-OE2 3.63Å; R139-E143 WeakPolarHBondContact O-CB 3.46Å; R139-E143 PolarHBondContact O-N 3.22Å; L140-E143 PolarHBondContact O-N 3.37Å
144Y96.4Very high97Very high37 Ų3729.3 Ų29.315%0.14515%0.154CC..Hα-helixtrans-101.3-4.9-175.2-65.3-83.6000114.2R89 I92 R93 L96 L140R89-Y144 HydrophobicContact CG-CD1 3.87Å; R89-Y144 HydrophobicContact CG-CE1 4.02Å; I92-Y144 HydrophobicContact CB-CD1 4.15Å; I92-Y144 HydrophobicContact CB-CE1 4.06Å; I92-Y144 HydrophobicContact CD1-CE1 4.08Å; I92-Y144 HydrophobicContact CG2-CD1 3.57Å; I92-Y144 HydrophobicContact CG2-CD2 4.49Å; I92-Y144 HydrophobicContact CG2-CE1 3.5Å; I92-Y144 HydrophobicContact CG2-CE2 4.46Å; I92-Y144 HydrophobicContact CG2-CG 4.11Å; R93-Y144 WeakPolarHBondContact CD-O 3.23Å; R93-Y144 VanDerWaalsContact CG-O 3.27Å; R93-Y144 WeakPolarHBondContact CG-O 3.35Å; L96-Y144 HydrophobicContact CD1-CD2 3.76Å; L96-Y144 HydrophobicContact CD1-CG 3.84Å; L140-Y144 HydrophobicContact CD2-CD2 4.31Å; L140-Y144 HydrophobicContact CD2-CE2 4.12Å; L140-Y144 WeakPolarHBondContact O-CD2 3.45Å; L140-Y144 PolarHBondContact O-N 3.48Å
145G96Very high96.9Very high57 Ų5729.2 Ų29.259%0.58815%0.153SC*.THydrogen-bonded Turntrans64.543.1-174.300000111.7N141N141-G145 VanDerWaalsContact O-CA 3.23Å; N141-G145 WeakPolarHBondContact O-CA 3.44Å; N141-G145 PolarHBondContact O-N 3.18Å
146T96.7Very high96.6Very high9 Ų928.4 Ų28.46%0.05515%0.149CC..  trans-111.3168.1-176.159.80000111.7R93 L96 N97 N141R93-T146 HydrophobicContact CB-CG2 4.26Å; R93-T146 HydrophobicContact CG-CG2 3.69Å; L96-T146 HydrophobicContact CB-CG2 3.76Å; L96-T146 HydrophobicContact CD1-CG2 4.16Å; N97-T146 WeakPolarHBondContact OD1-CA 3.35Å; N141-T146 WeakPolarHBondContact CA-OG1 3.38Å; N141-T146 VanDerWaalsContact CB-O 3.28Å; N141-T146 WeakPolarHBondContact CB-O 3.18Å; N141-T146 VanDerWaalsContact CG-O 3.23Å; N141-T146 PolarHBondContact O-N 2.8Å; N141-T146 VanDerWaalsContact O-N 3.14Å; N141-T146 PolarHBondContact OD1-O 3.31Å; N141-T146 VanDerWaalsContact OD1-O 3.12Å; N141-T146 PolarHBondContact OD1-OG1 2.63Å; N141-T146 VanDerWaalsContact OD1-OG1 3.09Å
147N95.7Very high96.3Very high74 Ų7430 Ų3040%0.39616%0.158SC..  trans-128.686.3171-1769000110.4N97 P149 K247N97-N147 PolarHBondContact OD1-N 3.09Å; N97-N147 VanDerWaalsContact OD1-N 3.07Å; N147-P149 WeakPolarHBondContact O-CD 3.28Å; N147-K247 PolarHBondContact O-NZ 3.47Å
148I97.8Very high96.2Very high0 Ų029.9 Ų29.90%016%0.157CC..  trans-87.1113.6174-53.7163.3000108.1L96 M101 I137 L140 N141L96-I148 HydrophobicContact CB-CD1 4.17Å; L96-I148 HydrophobicContact CB-CG1 4.3Å; L96-I148 HydrophobicContact CD1-CD1 4.49Å; L96-I148 HydrophobicContact CD2-CD1 3.85Å; L96-I148 HydrophobicContact CG-CD1 4.39Å; M101-I148 HydrophobicContact CB-CG2 4.22Å; I137-I148 HydrophobicContact CG2-CB 3.94Å; I137-I148 HydrophobicContact CG2-CG2 4.25Å; L140-I148 HydrophobicContact CB-CD1 4.05Å; L140-I148 HydrophobicContact CD1-CD1 4.3Å; N141-I148 WeakPolarHBondContact OD1-CG1 3.28Å; N141-I148 PolarHBondContact OD1-N 3.27Å
149P97.9Very high96Very high0 Ų028.9 Ų28.90%015%0.153CC..  trans-73.7138174.429.5-33.5000110.8L99 V100 M101 N147 Q175 M242L99-P149 WeakPolarHBondContact O-CD 3.49Å; V100-P149 HydrophobicContact CB-CG 4.32Å; V100-P149 HydrophobicContact CG1-CG 4.16Å; V100-P149 HydrophobicContact CG2-CG 3.97Å; M101-P149 PolarHBondContact N-O 2.66Å; N147-P149 WeakPolarHBondContact O-CD 3.28Å; P149-Q175 WeakPolarHBondContact CA-O 3.17Å; P149-M242 HydrophobicContact CB-CE 4.1Å; P149-M242 HydrophobicContact CG-CE 4.1Å; P149-M242 HydrophobicContact CG-SD 3.92Å
150L98.4Very high95.8Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-97.7120.4168.9174.959000109.2M101 K103 L130 T133 V134 I137 L152 V174 Q175 I176 L177M101-L150 HydrophobicContact CB-CD1 4.36Å; M101-L150 HydrophobicContact CG-CD1 3.99Å; M101-L150 CarbonylContact O-C 3.39Å; M101-L150 WeakPolarHBondContact O-CA 3.38Å; K103-L150 HydrophobicContact CB-CD1 4.48Å; K103-L150 HydrophobicContact CG-CD1 3.9Å; L130-L150 HydrophobicContact CD1-CD2 4.31Å; T133-L150 HydrophobicContact CG2-CD1 3.99Å; T133-L150 HydrophobicContact CG2-CD2 4.09Å; V134-L150 HydrophobicContact CG2-CD2 3.89Å; I137-L150 HydrophobicContact CD1-CB 3.76Å; I137-L150 HydrophobicContact CD1-CD1 3.79Å; I137-L150 HydrophobicContact CD1-CD2 4.12Å; I137-L150 HydrophobicContact CD1-CG 4.08Å; L150-L152 HydrophobicContact CD1-CD2 4.04Å; L150-L152 HydrophobicContact CD2-CD2 4.19Å; L150-L152 HydrophobicContact CG-CD2 4.01Å; L150-V174 HydrophobicContact CB-CG1 3.92Å; L150-Q175 PolarHBondContact N-O 3.12Å; L150-I176 HydrophobicContact CB-CG1 4.47Å; L150-I176 HydrophobicContact CD2-CG1 4.36Å; L150-I176 HydrophobicContact CD2-CG2 4.49Å; L150-I176 CarbonylContact O-C 3.58Å; L150-I176 WeakPolarHBondContact O-CA 3.23Å; L150-L177 PolarHBondContact O-N 3.19Å
151V98.4Very high95.6Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-110.7124.2177-174.50000109.3V100 M101 V102 K103 L177 F179 F233 L238 M242V100-V151 HydrophobicContact CG1-CG2 3.67Å; M101-V151 PolarHBondContact O-N 2.83Å; V102-V151 CarbonylContact C-O 3.51Å; V102-V151 WeakPolarHBondContact CA-O 3.18Å; V102-V151 HydrophobicContact CG2-CB 4.08Å; K103-V151 PolarHBondContact N-O 3.45Å; V151-L177 CarbonylContact C-O 3.57Å; V151-L177 VanDerWaalsContact CA-O 3.31Å; V151-L177 WeakPolarHBondContact CA-O 3.49Å; V151-L177 HydrophobicContact CG2-CB 4.34Å; V151-F179 HydrophobicContact CG1-CD1 3.55Å; V151-F179 HydrophobicContact CG1-CE1 3.53Å; V151-F233 HydrophobicContact CG1-CE2 4.12Å; V151-L238 HydrophobicContact CG1-CD1 4.11Å; V151-M242 HydrophobicContact CG2-CE 4.14Å
152L98.4Very high95.5Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-101.6117.2175.4-51.9178.8000109.8K103 N105 L130 L150 N154 T162 L166 I176 L177 T178 F179K103-L152 HydrophobicContact CB-CD2 3.93Å; N105-L152 HydrophobicContact CB-CB 4.37Å; L130-L152 HydrophobicContact CD1-CD1 3.85Å; L130-L152 HydrophobicContact CD1-CD2 4.06Å; L130-L152 HydrophobicContact CD2-CD1 4.37Å; L150-L152 HydrophobicContact CD1-CD2 4.04Å; L150-L152 HydrophobicContact CD2-CD2 4.19Å; L150-L152 HydrophobicContact CG-CD2 4.01Å; L152-N154 PolarHBondContact O-N 2.95Å; L152-T162 HydrophobicContact CD1-CG2 3.78Å; L152-L166 HydrophobicContact CD1-CD2 4.17Å; L152-I176 HydrophobicContact CD1-CG2 4.16Å; L152-I176 HydrophobicContact CG-CG2 4.31Å; L152-L177 PolarHBondContact N-O 2.88Å; L152-T178 HydrophobicContact CB-CG2 4.23Å; L152-T178 HydrophobicContact CD1-CG2 4.42Å; L152-T178 WeakPolarHBondContact O-CA 3.49Å; L152-F179 PolarHBondContact O-N 3.12Å; L152-F179 VanDerWaalsContact O-N 3.16Å
153M98.1Very high95.3Very high2 Ų228.2 Ų28.21%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-84100.6170.9-174-174.78400108.9K103 L104 N105 G106 F179 Q181 F229K103-M153 PolarHBondContact O-N 2.87Å; L104-M153 HydrophobicContact CD2-CE 3.36Å; L104-M153 HydrophobicContact CD2-SD 3.96Å; N105-M153 CarbonylContact C-O 3.56Å; N105-M153 VanDerWaalsContact CA-O 3.27Å; N105-M153 WeakPolarHBondContact CA-O 3.4Å; N105-M153 WeakPolarHBondContact CB-O 3.25Å; N105-M153 PolarHBondContact N-O 3.15Å; G106-M153 PolarHBondContact N-O 3.1Å; M153-F179 HydrophobicContact CB-CE1 3.8Å; M153-F179 HydrophobicContact CB-CE2 4.31Å; M153-F179 HydrophobicContact CB-CZ 3.63Å; M153-F179 HydrophobicContact CG-CE1 4.12Å; M153-F179 HydrophobicContact CG-CE2 3.71Å; M153-F179 HydrophobicContact CG-CZ 3.48Å; M153-F179 VanDerWaalsContact CG-CZ 3.48Å; M153-F179 HydrophobicContact SD-CE2 4.35Å; M153-F179 HydrophobicContact SD-CZ 4.11Å; M153-Q181 HydrophobicContact CG-CB 4.14Å; M153-Q181 HydrophobicContact SD-CB 4.27Å; M153-F229 HydrophobicContact SD-CB 3.74Å; M153-F229 HydrophobicContact SD-CD2 4.04Å; M153-F229 HydrophobicContact SD-CG 4.4Å
154N97.1Very high95.2Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-89.6164.7-178.8-62.4-33.7000111.4N105 L152 H159 F179 L180 Q181N105-N154 PolarHBondContact ND2-OD1 3.08Å; L152-N154 PolarHBondContact O-N 2.95Å; N154-H159 HydrophobicContact CB-CB 4.02Å; N154-H159 PolarHBondContact ND2-ND1 2.8Å; N154-F179 PolarHBondContact N-O 3.16Å; N154-L180 HydrophobicContact CB-CD2 4.31Å; N154-Q181 WeakPolarHBondContact O-CG 3.36Å; N154-Q181 PolarHBondContact O-N 2.96Å
155S94.3Very high95.1Very high0 Ų030.6 Ų30.60%017%0.168CC..  trans-109.2168.4164.1740000110.1G106 N157 T158 H159 L180G106-S155 PolarHBondContact O-OG 3.38Å; S155-N157 PolarHBondContact O-N 3.46Å; S155-N157 VanDerWaalsContact O-N 3.12Å; S155-N157 WeakPolarHBondContact OG-CB 3.45Å; S155-N157 PolarHBondContact OG-N 2.95Å; S155-N157 VanDerWaalsContact OG-N 3.16Å; S155-T158 PolarHBondContact N-OG1 2.9Å; S155-T158 PolarHBondContact O-N 2.94Å; S155-T158 PolarHBondContact O-OG1 3.26Å; S155-T158 PolarHBondContact OG-N 3.27Å; S155-T158 PolarHBondContact OG-OG1 2.81Å; S155-H159 WeakPolarHBondContact O-CB 3.37Å; S155-H159 PolarHBondContact O-N 3.49Å; S155-L180 VanDerWaalsContact C-CD2 3.46Å; S155-L180 WeakPolarHBondContact O-CD2 3.41Å
156F91.5Very high95Very high40 Ų4029 Ų2918%0.17515%0.146CC..THydrogen-bonded Turntrans-57.7-23.117065.2-90.3000112.4C183 Y216 W221F156-C183 HydrophobicContact CD1-CB 4.04Å; F156-C183 VanDerWaalsContact CD1-SG 3.52Å; F156-C183 HydrophobicContact CE1-CB 4.33Å; F156-C183 WeakPolarHBondContact CE1-SG 3.47Å; F156-Y216 HydrophobicContact CB-CD2 3.93Å; F156-Y216 HydrophobicContact CB-CE2 4.48Å; F156-Y216 HydrophobicContact CD2-CD2 4.23Å; F156-Y216 HydrophobicContact CG-CD2 4.02Å; F156-W221 HydrophobicContact CZ-CB 4.01Å
157N90.5Very high94.8Very high51 Ų5137.6 Ų37.627%0.27318%0.177SC..THydrogen-bonded Turntrans-80-19.4175.5-60.4-53.5000113.6L108 S155L108-N157 HydrophobicContact CD1-CB 4Å; L108-N157 HydrophobicContact CD2-CB 4.01Å; L108-N157 HydrophobicContact CG-CB 4.08Å; S155-N157 PolarHBondContact O-N 3.46Å; S155-N157 VanDerWaalsContact O-N 3.12Å; S155-N157 WeakPolarHBondContact OG-CB 3.45Å; S155-N157 PolarHBondContact OG-N 2.95Å; S155-N157 VanDerWaalsContact OG-N 3.16Å
158T93.4Very high94.7Very high0 Ų040 Ų400%018%0.184CC..THydrogen-bonded Turntrans-118.2-18.2-171.861.10000114.6N105 L108 P117 S155 T162N105-T158 WeakPolarHBondContact O-CB 3.48Å; N105-T158 WeakPolarHBondContact O-CG2 3.23Å; N105-T158 PolarHBondContact O-OG1 3.47Å; L108-T158 HydrophobicContact CD2-CG2 3.93Å; P117-T158 HydrophobicContact CB-CG2 3.86Å; P117-T158 HydrophobicContact CG-CG2 4.05Å; S155-T158 PolarHBondContact N-OG1 2.9Å; S155-T158 PolarHBondContact O-N 2.94Å; S155-T158 PolarHBondContact O-OG1 3.26Å; S155-T158 PolarHBondContact OG-N 3.27Å; S155-T158 PolarHBondContact OG-OG1 2.81Å; T158-T162 VanDerWaalsContact O-CB 3.31Å; T158-T162 WeakPolarHBondContact O-CB 3.48Å; T158-T162 PolarHBondContact O-N 3.48Å; T158-T162 PolarHBondContact O-OG1 2.88Å
159H93.2Very high94.5Very high35 Ų3540.7 Ų40.716%0.16219%0.187CC..Hα-helixtrans-63-54.1-169.6-175.549.9000113.8N154 S155 E161 T162 E163 L180N154-H159 HydrophobicContact CB-CB 4.02Å; N154-H159 PolarHBondContact ND2-ND1 2.8Å; S155-H159 WeakPolarHBondContact O-CB 3.37Å; S155-H159 PolarHBondContact O-N 3.49Å; H159-E161 VanDerWaalsContact C-N 3.33Å; H159-E161 PolarHBondContact O-N 3.17Å; H159-T162 PolarHBondContact O-N 3.14Å; H159-T162 VanDerWaalsContact O-N 3.13Å; H159-E163 VanDerWaalsContact CE1-CG 3.49Å; H159-E163 WeakPolarHBondContact CE1-CG 3.41Å; H159-E163 IonicContact CE1-OE1 2.91Å; H159-E163 PolarHBondContact CE1-OE1 3.37Å; H159-E163 WeakPolarHBondContact O-CG 3.43Å; H159-E163 PolarHBondContact O-N 2.94Å; H159-L180 HydrophobicContact CB-CD2 3.52Å; H159-L180 HydrophobicContact CB-CG 4.33Å
160T92.1Very high94.2Very high61 Ų6148.3 Ų48.337%0.37422%0.222SC..Hα-helixtrans-59.3-43.4-175.7-48.20000112K164T160-K164 WeakPolarHBondContact O-CG 3.5Å; T160-K164 PolarHBondContact O-N 3.18Å
161E92.9Very high93.9Very high80 Ų8058 Ų5837%0.37427%0.267SS..Hα-helixtrans-70.7-36.5177.8-65.2-52.6119.600112.3P117 L120 H159 K164 V165P117-E161 HydrophobicContact CG-CB 3.86Å; L120-E161 HydrophobicContact CD1-CB 4.41Å; H159-E161 VanDerWaalsContact C-N 3.33Å; H159-E161 PolarHBondContact O-N 3.17Å; E161-K164 IonicContact OE1-NZ 2.66Å; E161-K164 PolarHBondContact OE1-NZ 3.43Å; E161-K164 IonicContact OE2-NZ 2.76Å; E161-V165 PolarHBondContact O-N 2.82Å
162T94.3Very high93.7Very high0 Ų059.7 Ų59.70%028%0.278CS..Hα-helixtrans-63.8-49175.9-57.10000110.6N105 L152 T158 H159 K164 V165 L166N105-T162 PolarHBondContact ND2-OG1 2.73Å; L152-T162 HydrophobicContact CD1-CG2 3.78Å; T158-T162 VanDerWaalsContact O-CB 3.31Å; T158-T162 WeakPolarHBondContact O-CB 3.48Å; T158-T162 PolarHBondContact O-N 3.48Å; T158-T162 PolarHBondContact O-OG1 2.88Å; H159-T162 PolarHBondContact O-N 3.14Å; H159-T162 VanDerWaalsContact O-N 3.13Å; T162-K164 VanDerWaalsContact C-N 3.31Å; T162-K164 PolarHBondContact O-N 3.38Å; T162-V165 PolarHBondContact O-N 3.2Å; T162-V165 VanDerWaalsContact O-N 3.08Å; T162-L166 HydrophobicContact CG2-CG 4.48Å; T162-L166 WeakPolarHBondContact O-CG 3.38Å; T162-L166 PolarHBondContact O-N 3.16Å; T162-L166 VanDerWaalsContact O-N 3.13Å
163E93.4Very high93.6Very high71 Ų7163.2 Ų63.233%0.33230%0.297SS..Hα-helixtrans-58.2-39.2179.5-76.5-63.3144.400113.2H159 V165 L166 T178H159-E163 VanDerWaalsContact CE1-CG 3.49Å; H159-E163 WeakPolarHBondContact CE1-CG 3.41Å; H159-E163 IonicContact CE1-OE1 2.91Å; H159-E163 PolarHBondContact CE1-OE1 3.37Å; H159-E163 WeakPolarHBondContact O-CG 3.43Å; H159-E163 PolarHBondContact O-N 2.94Å; E163-V165 VanDerWaalsContact C-N 3.26Å; E163-V165 PolarHBondContact O-N 2.91Å; E163-L166 PolarHBondContact O-N 3.47Å; E163-T178 WeakPolarHBondContact OE1-CB 3.41Å; E163-T178 VanDerWaalsContact OE1-CG2 3.25Å; E163-T178 WeakPolarHBondContact OE1-CG2 3.46Å; E163-T178 PolarHBondContact OE1-OG1 3.39Å
164K93.7Very high93.5Very high117 Ų11763.7 Ų63.751%0.50930%0.3SS..Hα-helixtrans-58-40.3176-74.3170.5-175.51710111.9T160 E161 T162T160-K164 WeakPolarHBondContact O-CG 3.5Å; T160-K164 PolarHBondContact O-N 3.18Å; E161-K164 IonicContact OE1-NZ 2.66Å; E161-K164 PolarHBondContact OE1-NZ 3.43Å; E161-K164 IonicContact OE2-NZ 2.76Å; T162-K164 VanDerWaalsContact C-N 3.31Å; T162-K164 PolarHBondContact O-N 3.38Å
165V93.6Very high93.4Very high46 Ų4667.3 Ų67.328%0.27932%0.317SS..Hα-helixtrans-79.6-26.2-177.51790000112.2L120 E161 T162 E163 R167 K168 Y169L120-V165 HydrophobicContact CD1-CG2 3.87Å; L120-V165 HydrophobicContact CD2-CB 4.09Å; L120-V165 HydrophobicContact CD2-CG1 3.96Å; L120-V165 HydrophobicContact CD2-CG2 3.93Å; E161-V165 PolarHBondContact O-N 2.82Å; T162-V165 PolarHBondContact O-N 3.2Å; T162-V165 VanDerWaalsContact O-N 3.08Å; E163-V165 VanDerWaalsContact C-N 3.26Å; E163-V165 PolarHBondContact O-N 2.91Å; V165-R167 PolarHBondContact O-N 3.04Å; V165-K168 WeakPolarHBondContact O-CB 3.3Å; V165-K168 PolarHBondContact O-N 3.03Å; V165-Y169 HydrophobicContact CG1-CE2 4.36Å
166L94.6Very high93.6Very high24 Ų2469 Ų6913%0.12633%0.325CS..Hα-helixtrans-59.1-23.7-177.7-71.1-175.6000114.3L130 L152 T162 E163 K168 Y169 I176 T178L130-L166 HydrophobicContact CD2-CD2 4.26Å; L152-L166 HydrophobicContact CD1-CD2 4.17Å; T162-L166 HydrophobicContact CG2-CG 4.48Å; T162-L166 WeakPolarHBondContact O-CG 3.38Å; T162-L166 PolarHBondContact O-N 3.16Å; T162-L166 VanDerWaalsContact O-N 3.13Å; E163-L166 PolarHBondContact O-N 3.47Å; L166-K168 PolarHBondContact O-N 3.5Å; L166-K168 VanDerWaalsContact O-N 3.12Å; L166-Y169 HydrophobicContact CD2-CD2 4.1Å; L166-Y169 HydrophobicContact CD2-CE2 4.33Å; L166-Y169 PolarHBondContact O-N 3.03Å; L166-I176 HydrophobicContact CD1-CG2 4.35Å; L166-I176 HydrophobicContact CD2-CD1 4.21Å; L166-I176 HydrophobicContact CD2-CG2 3.77Å; L166-T178 HydrophobicContact CD1-CG2 3.46Å; L166-T178 VanDerWaalsContact CD1-CG2 3.46Å
167R90.9Very high93.9Very high189 Ų18968.5 Ų68.571%0.71332%0.324SS*.G310 helixtrans-56.5-27.2174-62.3-177.4-174.1175.71.7112.9V165 Y169 Q170V165-R167 PolarHBondContact O-N 3.04Å; R167-Y169 PolarHBondContact O-N 3.08Å; R167-Q170 WeakPolarHBondContact O-CG 3.19Å
168K94.1Very high94.2Very high125 Ų12567.8 Ų67.854%0.54332%0.322SS..G310 helixtrans-60.2-30.1176.1-175.4-177176.8-173.70113D131 V165 L166D131-K168 WeakPolarHBondContact OD1-CE 3.41Å; D131-K168 IonicContact OD1-NZ 3.17Å; D131-K168 PolarHBondContact OD1-NZ 2.87Å; D131-K168 IonicContact OD2-NZ 3.88Å; D131-K168 PolarHBondContact OD2-NZ 3.05Å; V165-K168 WeakPolarHBondContact O-CB 3.3Å; V165-K168 PolarHBondContact O-N 3.03Å; L166-K168 PolarHBondContact O-N 3.5Å; L166-K168 VanDerWaalsContact O-N 3.12Å
169Y95Very high94.3Very high14 Ų1468.2 Ų68.26%0.05532%0.324CS..G310 helixtrans-101.311.9-170.5-48.7-68.7000113.9L130 D131 V134 V165 L166 R167 Q171 V172 I176L130-Y169 HydrophobicContact CD2-CE2 3.74Å; L130-Y169 HydrophobicContact CG-CE2 3.97Å; D131-Y169 WeakPolarHBondContact OD1-CE1 3.25Å; D131-Y169 PolarHBondContact OD1-OH 3.42Å; V134-Y169 HydrophobicContact CB-CD1 4.31Å; V134-Y169 HydrophobicContact CB-CE1 4.26Å; V134-Y169 HydrophobicContact CG1-CD1 3.8Å; V134-Y169 HydrophobicContact CG1-CE1 4.21Å; V134-Y169 HydrophobicContact CG1-CG 4.37Å; V134-Y169 HydrophobicContact CG2-CD1 4.23Å; V134-Y169 HydrophobicContact CG2-CE1 4.19Å; V134-Y169 HydrophobicContact CG2-CG 4.4Å; V165-Y169 HydrophobicContact CG1-CE2 4.36Å; L166-Y169 HydrophobicContact CD2-CD2 4.1Å; L166-Y169 HydrophobicContact CD2-CE2 4.33Å; L166-Y169 PolarHBondContact O-N 3.03Å; R167-Y169 PolarHBondContact O-N 3.08Å; Y169-Q171 PolarHBondContact O-N 3.16Å; Y169-V172 HydrophobicContact CD1-CG2 4.31Å; Y169-V172 WeakPolarHBondContact O-CB 3.35Å; Y169-V172 PolarHBondContact O-N 2.87Å; Y169-V172 VanDerWaalsContact O-N 3.09Å; Y169-I176 HydrophobicContact CD2-CD1 3.7Å; Y169-I176 HydrophobicContact CG-CD1 3.83Å
170Q91.1Very high94.4Very high160 Ų16070 Ų7075%0.74833%0.334SS*.THydrogen-bonded Turntrans-62-26.2-176.2-73.7-179.6-1600114.3R167R167-Q170 WeakPolarHBondContact O-CG 3.19Å
171Q92.2Very high94.6Very high202 Ų20267.7 Ų67.794%0.94432%0.319SS*.THydrogen-bonded Turntrans-99.2-0179.8-64.5-177.4-25.300113.1Y169Y169-Q171 PolarHBondContact O-N 3.16Å
172V94.1Very high94.7Very high36 Ų3664.4 Ų64.422%0.21831%0.305CS..SBendtrans-84.8143.2-178.7176.40000109.2V134 E138 Y169 V174V134-V172 HydrophobicContact CG1-CB 4.45Å; V134-V172 HydrophobicContact CG1-CG1 3.59Å; E138-V172 HydrophobicContact CB-CG1 4.04Å; E138-V172 HydrophobicContact CG-CG1 4.07Å; E138-V172 WeakPolarHBondContact OE1-CG1 3.5Å; Y169-V172 HydrophobicContact CD1-CG2 4.31Å; Y169-V172 WeakPolarHBondContact O-CB 3.35Å; Y169-V172 PolarHBondContact O-N 2.87Å; Y169-V172 VanDerWaalsContact O-N 3.09Å; V172-V174 HydrophobicContact CG1-CB 4.31Å; V172-V174 HydrophobicContact CG1-CG2 4.02Å; V172-V174 PolarHBondContact O-N 2.93Å
173N95.1Very high94.6Very high74 Ų7464.6 Ų64.640%0.39631%0.306SS..SBendtrans-76.854.5-179.9-170.623.1000112.9N141 N142N141-N173 PolarHBondContact ND2-O 3.12Å; N142-N173 PolarHBondContact OD1-ND2 3.21Å
174V96.5Very high94.8Very high12 Ų1261.4 Ų61.47%0.07329%0.291CS..  trans-143.8122.6177.7-178.50000109.1V134 I137 E138 L150 V172 I176V134-V174 HydrophobicContact CG1-CG2 4.4Å; I137-V174 HydrophobicContact CB-CG1 4.31Å; I137-V174 HydrophobicContact CB-CG2 4.04Å; I137-V174 HydrophobicContact CG2-CG1 3.89Å; I137-V174 HydrophobicContact CG2-CG2 3.94Å; E138-V174 HydrophobicContact CB-CG2 3.76Å; L150-V174 HydrophobicContact CB-CG1 3.92Å; V172-V174 HydrophobicContact CG1-CB 4.31Å; V172-V174 HydrophobicContact CG1-CG2 4.02Å; V172-V174 PolarHBondContact O-N 2.93Å; V174-I176 HydrophobicContact CG1-CG1 4.04Å; V174-I176 PolarHBondContact O-N 3.34Å
175Q96Very high94.9Very high77 Ų7755.9 Ų55.936%0.3627%0.267SS..  trans-75.9108.6169.9-178176.950.300109.6P149 L150 L177P149-Q175 WeakPolarHBondContact CA-O 3.17Å; L150-Q175 PolarHBondContact N-O 3.12Å; Q175-L177 HydrophobicContact CG-CD2 4.33Å; Q175-L177 HydrophobicContact CG-CG 4.24Å
176I97.5Very high95Very high34 Ų3455.4 Ų55.417%0.17426%0.26CS..EExtended strand (participates in β ladder)trans-97.4127.1175.9-49.5178000109.7V134 L150 L152 L166 Y169 V174V134-I176 HydrophobicContact CG2-CD1 3.73Å; L150-I176 HydrophobicContact CB-CG1 4.47Å; L150-I176 HydrophobicContact CD2-CG1 4.36Å; L150-I176 HydrophobicContact CD2-CG2 4.49Å; L150-I176 CarbonylContact O-C 3.58Å; L150-I176 WeakPolarHBondContact O-CA 3.23Å; L152-I176 HydrophobicContact CD1-CG2 4.16Å; L152-I176 HydrophobicContact CG-CG2 4.31Å; L166-I176 HydrophobicContact CD1-CG2 4.35Å; L166-I176 HydrophobicContact CD2-CD1 4.21Å; L166-I176 HydrophobicContact CD2-CG2 3.77Å; Y169-I176 HydrophobicContact CD2-CD1 3.7Å; Y169-I176 HydrophobicContact CG-CD1 3.83Å; V174-I176 HydrophobicContact CG1-CG1 4.04Å; V174-I176 PolarHBondContact O-N 3.34Å
177L97.1Very high95Very high30 Ų3054.3 Ų54.316%0.15726%0.255CS..EExtended strand (participates in β ladder)trans-123.2152176-59.6171.4000109.5L150 V151 L152 Q175 L238 M242L150-L177 PolarHBondContact O-N 3.19Å; V151-L177 CarbonylContact C-O 3.57Å; V151-L177 VanDerWaalsContact CA-O 3.31Å; V151-L177 WeakPolarHBondContact CA-O 3.49Å; V151-L177 HydrophobicContact CG2-CB 4.34Å; L152-L177 PolarHBondContact N-O 2.88Å; Q175-L177 HydrophobicContact CG-CD2 4.33Å; Q175-L177 HydrophobicContact CG-CG 4.24Å; L177-L238 HydrophobicContact CD1-CD2 4.16Å; L177-M242 HydrophobicContact CD1-CE 3.15Å
178T97.2Very high95.2Very high37 Ų3746.9 Ų46.923%0.22723%0.229CC..EExtended strand (participates in β ladder)trans-130.7151.4178.360.40000110.4L152 E163 L166L152-T178 HydrophobicContact CB-CG2 4.23Å; L152-T178 HydrophobicContact CD1-CG2 4.42Å; L152-T178 WeakPolarHBondContact O-CA 3.49Å; E163-T178 WeakPolarHBondContact OE1-CB 3.41Å; E163-T178 VanDerWaalsContact OE1-CG2 3.25Å; E163-T178 WeakPolarHBondContact OE1-CG2 3.46Å; E163-T178 PolarHBondContact OE1-OG1 3.39Å; L166-T178 HydrophobicContact CD1-CG2 3.46Å; L166-T178 VanDerWaalsContact CD1-CG2 3.46Å
179F96.6Very high95.1Very high9 Ų947.3 Ų47.34%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-148.1160.2164.571.4-77.1000109.7V151 L152 M153 N154 F229 F233 C236 L238V151-F179 HydrophobicContact CG1-CD1 3.55Å; V151-F179 HydrophobicContact CG1-CE1 3.53Å; L152-F179 PolarHBondContact O-N 3.12Å; L152-F179 VanDerWaalsContact O-N 3.16Å; M153-F179 HydrophobicContact CB-CE1 3.8Å; M153-F179 HydrophobicContact CB-CE2 4.31Å; M153-F179 HydrophobicContact CB-CZ 3.63Å; M153-F179 HydrophobicContact CG-CE1 4.12Å; M153-F179 HydrophobicContact CG-CE2 3.71Å; M153-F179 HydrophobicContact CG-CZ 3.48Å; M153-F179 VanDerWaalsContact CG-CZ 3.48Å; M153-F179 HydrophobicContact SD-CE2 4.35Å; M153-F179 HydrophobicContact SD-CZ 4.11Å; N154-F179 PolarHBondContact N-O 3.16Å; F179-F229 AromaticContact CZ-CD2 3.93Å; F179-F229 HydrophobicContact CZ-CD2 3.93Å; F179-F229 HydrophobicContact CZ-CE2 4.13Å; F179-F233 HydrophobicContact CD1-CD2 4.24Å; F179-F233 AromaticContact CE1-CD2 3.77Å; F179-F233 HydrophobicContact CE1-CD2 3.77Å; F179-F233 HydrophobicContact CE1-CE2 4.44Å; F179-F233 HydrophobicContact CE2-CB 4.2Å; F179-F233 HydrophobicContact CZ-CB 4.02Å; F179-F233 AromaticContact CZ-CD2 3.93Å; F179-F233 HydrophobicContact CZ-CD2 3.93Å; F179-F233 HydrophobicContact CZ-CG 4.42Å; F179-C236 HydrophobicContact CB-CB 4.23Å; F179-L238 HydrophobicContact CB-CD1 3.94Å; F179-L238 HydrophobicContact CD1-CD1 3.84Å; F179-L238 HydrophobicContact CG-CD1 4.15Å
180L94.9Very high94.8Very high72 Ų7252.2 Ų52.238%0.37725%0.251SS..EExtended strand (participates in β ladder)trans-93134.8175.9-78.7168.1000109.7N154 S155 H159N154-L180 HydrophobicContact CB-CD2 4.31Å; S155-L180 VanDerWaalsContact C-CD2 3.46Å; S155-L180 WeakPolarHBondContact O-CD2 3.41Å; H159-L180 HydrophobicContact CB-CD2 3.52Å; H159-L180 HydrophobicContact CB-CG 4.33Å
181Q95.5Very high94.8Very high13 Ų1347.6 Ų47.66%0.06124%0.236CC..PPolyproline II helixtrans-72.9165.7160.375.3-171.2-19.200110.7M153 N154 P223 G225 D228M153-Q181 HydrophobicContact CG-CB 4.14Å; M153-Q181 HydrophobicContact SD-CB 4.27Å; N154-Q181 WeakPolarHBondContact O-CG 3.36Å; N154-Q181 PolarHBondContact O-N 2.96Å; Q181-P223 HydrophobicContact CG-CB 4.16Å; Q181-G225 PolarHBondContact OE1-O 3.47Å; Q181-D228 WeakPolarHBondContact CA-OD2 3.37Å; Q181-D228 WeakPolarHBondContact CB-OD2 3.48Å
182S94.9Very high94.8Very high10 Ų1039.5 Ų39.57%0.0720%0.199CC..PPolyproline II helixtrans-60.3159.9179.1-62.30000112.9P224 D228 S232S182-P224 WeakPolarHBondContact O-CD 3.47Å; S182-D228 VanDerWaalsContact CB-OD1 3.31Å; S182-D228 WeakPolarHBondContact CB-OD1 3.31Å; S182-D228 PolarHBondContact N-OD2 3.18Å; S182-D228 PolarHBondContact OG-OD1 3.43Å; S182-D228 PolarHBondContact OG-OD2 3.48Å; S182-S232 PolarHBondContact N-OG 3.44Å; S182-S232 PolarHBondContact OG-OG 3.09Å
183C93.9Very high94.7Very high4 Ų440.1 Ų40.13%0.02720%0.201CC..  trans-125.5113175.8-172.40000109.2Q45 F156 Y216Q45-C183 PolarHBondContact OE1-O 2.85Å; F156-C183 HydrophobicContact CD1-CB 4.04Å; F156-C183 VanDerWaalsContact CD1-SG 3.52Å; F156-C183 HydrophobicContact CE1-CB 4.33Å; F156-C183 WeakPolarHBondContact CE1-SG 3.47Å; C183-Y216 HydrophobicContact CB-CD2 4.43Å; C183-Y216 HydrophobicContact CB-CE1 4.44Å; C183-Y216 HydrophobicContact CB-CE2 4.04Å
184Y95.7Very high94.7Very high5 Ų536.7 Ų36.72%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-109.1148.7-177.4-69.5-8.7000111.8Q45 M46 S48 F49 L52 W221 Y222 P224Q45-Y184 HydrophobicContact CB-CE1 4.15Å; Q45-Y184 VanDerWaalsContact O-CE1 3.24Å; Q45-Y184 WeakPolarHBondContact O-CE1 3.14Å; M46-Y184 HydrophobicContact CE-CD1 4.5Å; S48-Y184 WeakPolarHBondContact CB-OH 3.49Å; S48-Y184 PolarHBondContact OG-OH 2.87Å; F49-Y184 HydrophobicContact CB-CD1 3.81Å; F49-Y184 HydrophobicContact CB-CD2 4.02Å; F49-Y184 HydrophobicContact CB-CE1 3.91Å; F49-Y184 HydrophobicContact CB-CE2 4.08Å; F49-Y184 HydrophobicContact CB-CG 3.91Å; F49-Y184 HydrophobicContact CD2-CD1 4.34Å; F49-Y184 AromaticContact CD2-CD2 3.32Å; F49-Y184 HydrophobicContact CD2-CD2 3.32Å; F49-Y184 AromaticContact CD2-CE2 3.97Å; F49-Y184 HydrophobicContact CD2-CE2 3.97Å; F49-Y184 AromaticContact CD2-CG 3.55Å; F49-Y184 HydrophobicContact CD2-CG 3.55Å; F49-Y184 HydrophobicContact CE2-CD2 4.13Å; F49-Y184 HydrophobicContact CE2-CG 4.33Å; F49-Y184 HydrophobicContact CG-CD1 4.32Å; F49-Y184 HydrophobicContact CG-CD2 4.05Å; F49-Y184 AromaticContact CG-CG 3.96Å; F49-Y184 HydrophobicContact CG-CG 3.96Å; L52-Y184 HydrophobicContact CD2-CD2 4.22Å; L52-Y184 HydrophobicContact CD2-CE2 3.96Å; Y184-W221 VanDerWaalsContact C-CE3 3.45Å; Y184-W221 WeakPolarHBondContact O-CA 3.33Å; Y184-Y222 PolarHBondContact N-O 2.78Å; Y184-Y222 WeakPolarHBondContact O-CD1 3.49Å; Y184-Y222 PolarHBondContact O-N 2.93Å; Y184-P224 HydrophobicContact CD2-CB 3.44Å; Y184-P224 VanDerWaalsContact CD2-CB 3.44Å; Y184-P224 HydrophobicContact CD2-CG 3.93Å; Y184-P224 HydrophobicContact CE2-CB 3.55Å; Y184-P224 HydrophobicContact CE2-CG 3.85Å; Y184-P224 HydrophobicContact CG-CB 4.22Å; Y184-P224 HydrophobicContact CG-CG 4.37Å
185P95.8Very high94.5Very high0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-77.913817732.5-32.9000109.8L25 L28 F49 P194 A196 W221 Y222L25-P185 HydrophobicContact CD2-CG 3.98Å; L28-P185 HydrophobicContact CD1-CB 4.49Å; L28-P185 HydrophobicContact CD1-CG 4.49Å; F49-P185 HydrophobicContact CD1-CG 3.91Å; F49-P185 HydrophobicContact CE1-CG 3.61Å; F49-P185 HydrophobicContact CZ-CG 4.16Å; F49-P185 WeakPolarHBondContact CZ-O 3.26Å; P185-P194 HydrophobicContact CB-CB 4Å; P185-P194 HydrophobicContact CG-CB 4.2Å; P185-P194 HydrophobicContact CG-CG 4.46Å; P185-A196 HydrophobicContact CB-CB 4.19Å; P185-W221 HydrophobicContact CB-CE3 4.16Å; P185-W221 HydrophobicContact CB-CH2 4.01Å; P185-W221 HydrophobicContact CB-CZ3 3.83Å; P185-W221 HydrophobicContact CG-CH2 4.48Å; P185-W221 HydrophobicContact CG-CZ3 4.18Å; P185-Y222 WeakPolarHBondContact O-CE1 3.29Å
186R96Very high94.4Very high37 Ų3734.3 Ų34.314%0.1417%0.172CC..PPolyproline II helixtrans-67.3146.4171.5-67.5168.6-172.7-174.9-2109.7P194 I195 P218 E219 E220 W221 Y222 I371 Q373R186-P194 WeakPolarHBondContact O-CA 3.49Å; R186-I195 HydrophobicContact CB-CD1 3.78Å; R186-I195 HydrophobicContact CB-CG1 3.96Å; R186-I195 PolarHBondContact O-N 3Å; R186-P218 PolarHBondContact NH1-O 3.37Å; R186-P218 VanDerWaalsContact NH1-O 3.11Å; R186-P218 PolarHBondContact NH2-O 2.8Å; R186-E219 WeakPolarHBondContact CD-O 3.25Å; R186-E219 VanDerWaalsContact NH1-C 3.26Å; R186-E219 VanDerWaalsContact NH1-CA 3.35Å; R186-E219 PolarHBondContact NH1-O 3.36Å; R186-E220 WeakPolarHBondContact CB-O 3.45Å; R186-E220 WeakPolarHBondContact CG-O 3.14Å; R186-E220 PolarHBondContact N-O 3.36Å; R186-W221 PolarHBondContact NE-O 2.9Å; R186-W221 VanDerWaalsContact NE-O 3.1Å; R186-W221 PolarHBondContact NH2-O 3.46Å; R186-W221 VanDerWaalsContact NH2-O 3.11Å; R186-Y222 HydrophobicContact CB-CD1 4.49Å; R186-Y222 HydrophobicContact CG-CD1 3.61Å; R186-Y222 HydrophobicContact CG-CE1 4.36Å; R186-Y222 HydrophobicContact CG-CG 4.28Å; R186-I371 HydrophobicContact CB-CB 4.44Å; R186-I371 HydrophobicContact CB-CD1 4.36Å; R186-I371 HydrophobicContact CG-CD1 4.12Å; R186-Q373 HydrophobicContact CG-CG 4.07Å
187L95.7Very high93.9Very high1 Ų139.5 Ų39.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-98.6139.4176.5-58.3177.2000109.6L21 F49 F53 L193 P194 I371 L372 L374L21-L187 HydrophobicContact CD1-CD2 3.62Å; F49-L187 HydrophobicContact CE1-CD2 4.02Å; F49-L187 HydrophobicContact CZ-CD1 4.11Å; F49-L187 HydrophobicContact CZ-CD2 3.76Å; F49-L187 HydrophobicContact CZ-CG 3.93Å; F53-L187 HydrophobicContact CD2-CD1 3.6Å; F53-L187 HydrophobicContact CE2-CD1 3.61Å; L187-L193 CarbonylContact C-O 3.55Å; L187-L193 WeakPolarHBondContact CA-O 3.29Å; L187-P194 HydrophobicContact CD2-CG 4.32Å; L187-I371 CarbonylContact O-C 3.57Å; L187-I371 WeakPolarHBondContact O-CA 3.47Å; L187-I371 WeakPolarHBondContact O-CB 3.4Å; L187-L372 HydrophobicContact CB-CB 4.32Å; L187-L372 PolarHBondContact N-O 3.31Å; L187-L372 VanDerWaalsContact N-O 3.09Å; L187-L372 PolarHBondContact O-N 3.08Å; L187-L374 HydrophobicContact CD1-CD1 4.2Å
188N94.7Very high93.4Very high33 Ų3340.4 Ų40.418%0.17620%0.201CC..EExtended strand (participates in β ladder)trans-65.1135.7163.1172.9-86.6000108.6E190 S191 L192 L193 I195N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact ND2-OE2 3.41Å; N188-E190 PolarHBondContact O-N 2.83Å; N188-E190 PolarHBondContact OD1-N 3.04Å; N188-E190 PolarHBondContact OD1-OE2 3.42Å; N188-S191 WeakPolarHBondContact CB-OG 3.29Å; N188-S191 PolarHBondContact OD1-N 3.26Å; N188-S191 PolarHBondContact OD1-OG 3.17Å; N188-L192 VanDerWaalsContact O-CA 3.23Å; N188-L192 WeakPolarHBondContact O-CA 3.34Å; N188-L192 PolarHBondContact O-N 2.89Å; N188-L193 PolarHBondContact N-O 2.75Å; N188-I195 HydrophobicContact CB-CG2 3.91Å
189R91.2Very high92.6Very high133 Ų13338.7 Ų38.750%0.50219%0.191SC..THydrogen-bonded Turntrans-66.4-35.5-172.3-179176.9-177.3169.10.7112.6N370 L372R189-N370 HydrophobicContact CB-CB 3.83Å; R189-N370 PolarHBondContact N-O 3.09Å; R189-L372 HydrophobicContact CB-CD1 4.48Å; R189-L372 HydrophobicContact CB-CG 4.1Å; R189-L372 HydrophobicContact CG-CD1 4.23Å; R189-L372 HydrophobicContact CG-CD2 4.21Å; R189-L372 HydrophobicContact CG-CG 4.05Å
190E89.4Confident91.3Very high118 Ų11839.2 Ų39.255%0.55120%0.199SC*.THydrogen-bonded Turntrans-84.1-46.7-175.2-62.873.2-15500111.7N188 N370N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact ND2-OE2 3.41Å; N188-E190 PolarHBondContact O-N 2.83Å; N188-E190 PolarHBondContact OD1-N 3.04Å; N188-E190 PolarHBondContact OD1-OE2 3.42Å; E190-N370 PolarHBondContact OE1-ND2 3.47Å
191S90.5Very high89.6Confident63 Ų6341.3 Ų41.344%0.44121%0.207SC..THydrogen-bonded Turntrans-84.4-19.9-178.872.70000114N188 L193N188-S191 WeakPolarHBondContact CB-OG 3.29Å; N188-S191 PolarHBondContact OD1-N 3.26Å; N188-S191 PolarHBondContact OD1-OG 3.17Å; S191-L193 PolarHBondContact O-N 3.21Å; S191-L193 PolarHBondContact OG-N 3.19Å
192L91.8Very high87.4Confident32 Ų3249 Ų4917%0.16824%0.243CC..  trans58.720.5-171.9-54.3178.8000114.4F53 N188 L372F53-L192 HydrophobicContact CE2-CB 4.24Å; F53-L192 HydrophobicContact CZ-CB 4.07Å; N188-L192 VanDerWaalsContact O-CA 3.23Å; N188-L192 WeakPolarHBondContact O-CA 3.34Å; N188-L192 PolarHBondContact O-N 2.89Å; L192-L372 HydrophobicContact CD2-CD1 3.67Å
193L93.5Very high84.9Confident48 Ų4851.3 Ų51.325%0.25126%0.26SS..SBendtrans-103.2156.1178.2-63176.7000111.9A20 L187 N188 S191 I195A20-L193 HydrophobicContact CB-CD2 3.89Å; L187-L193 CarbonylContact C-O 3.55Å; L187-L193 WeakPolarHBondContact CA-O 3.29Å; N188-L193 PolarHBondContact N-O 2.75Å; S191-L193 PolarHBondContact O-N 3.21Å; S191-L193 PolarHBondContact OG-N 3.19Å; L193-I195 PolarHBondContact O-N 3.36Å
194P94.3Very high82.2Confident3 Ų359.9 Ų59.92%0.01930%0.299CS..BIsolated β-bridgetrans-59.8133.1176.9-21.936.9000111L21 D24 L25 L28 P185 R186 L187L21-P194 HydrophobicContact CD1-CG 3.89Å; D24-P194 HydrophobicContact CB-CG 4.07Å; L25-P194 HydrophobicContact CD2-CG 3.93Å; L28-P194 HydrophobicContact CD1-CB 4.18Å; P185-P194 HydrophobicContact CB-CB 4Å; P185-P194 HydrophobicContact CG-CB 4.2Å; P185-P194 HydrophobicContact CG-CG 4.46Å; R186-P194 WeakPolarHBondContact O-CA 3.49Å; L187-P194 HydrophobicContact CD2-CG 4.32Å
195I93.4Very high79.6Confident37 Ų3766.6 Ų66.619%0.1934%0.335CS..SBendtrans-76.6-30.3172.564.4174.9000111.7R186 N188 L193 E219 E220 L365 I371R186-I195 HydrophobicContact CB-CD1 3.78Å; R186-I195 HydrophobicContact CB-CG1 3.96Å; R186-I195 PolarHBondContact O-N 3Å; N188-I195 HydrophobicContact CB-CG2 3.91Å; L193-I195 PolarHBondContact O-N 3.36Å; I195-E219 WeakPolarHBondContact CD1-O 3.46Å; I195-E220 HydrophobicContact CD1-CB 4.45Å; I195-E220 HydrophobicContact CD1-CG 4.34Å; I195-E220 HydrophobicContact CG1-CB 4.23Å; I195-E220 HydrophobicContact CG1-CG 4.19Å; I195-L365 HydrophobicContact CD1-CD1 3.94Å; I195-I371 HydrophobicContact CD1-CG2 4.11Å; I195-I371 HydrophobicContact CG2-CG2 4.45Å
196A92.1Very high76.4Confident2 Ų272.7 Ų72.72%0.01738%0.377CS..  trans-62.4139.4175.100000110.6L28 P185 E220 W221L28-A196 HydrophobicContact CD1-CB 4.49Å; L28-A196 HydrophobicContact CD2-CB 4.2Å; P185-A196 HydrophobicContact CB-CB 4.19Å; A196-E220 WeakPolarHBondContact CA-OE2 3.34Å; A196-E220 HydrophobicContact CB-CB 4.04Å; A196-W221 HydrophobicContact CB-CH2 4.26Å; A196-W221 HydrophobicContact CB-CZ2 3.46Å; A196-W221 VanDerWaalsContact CB-CZ2 3.46Å
197K88.5Confident73.3Confident142 Ų14273.2 Ų73.262%0.61740%0.395SS*.SBendtrans-114.1-12.6174.8-60.4-59.6174.8-161.70113.7D24D24-K197 IonicContact OD2-NZ 3.19Å
198C85.6Confident70.2Confident49 Ų4980.4 Ų80.433%0.33144%0.439SS..SBendtrans-141.8154173.251.50000110.8T31 G200 W221T31-C198 HydrophobicContact CG2-CB 4.2Å; C198-G200 PolarHBondContact O-N 3.34Å; C198-W221 WeakPolarHBondContact O-CZ2 3.21Å
199A79.9Confident67.4Low1 Ų186 Ų861%0.00846%0.462CS..SBendtrans-70.2-17.4-178.700000113.8T31 I32 F42 M214 Y216T31-A199 PolarHBondContact OG1-N 3.45Å; T31-A199 VanDerWaalsContact OG1-N 3.09Å; I32-A199 HydrophobicContact CD1-CB 3.69Å; I32-A199 HydrophobicContact CG1-CB 3.57Å; F42-A199 HydrophobicContact CD2-CB 4.48Å; F42-A199 HydrophobicContact CE1-CB 3.92Å; F42-A199 HydrophobicContact CE2-CB 3.87Å; F42-A199 HydrophobicContact CZ-CB 3.55Å; A199-M214 HydrophobicContact CB-CE 4.49Å; A199-Y216 WeakPolarHBondContact O-CD1 3.48Å; A199-Y216 WeakPolarHBondContact O-CE1 3.33Å
200G71.1Confident64.7Low21 Ų2185.4 Ų85.422%0.21647%0.473CS..SBendtrans-175.5161.6177.500000111.3C198C198-G200 PolarHBondContact O-N 3.34Å
201Q58.9Low62.3Low115 Ų11583.8 Ų83.854%0.53748%0.475SS..  trans-84.2131.1172.2-70.8-175.6-21.700110.5S203 N215Q201-S203 PolarHBondContact O-N 2.73Å; Q201-S203 VanDerWaalsContact O-N 3.07Å; Q201-N215 PolarHBondContact N-O 3.28Å; Q201-N215 VanDerWaalsContact N-O 3.08Å
202E47.7Very low60.2Low174 Ų17488.6 Ų88.681%0.81349%0.488SS*.  trans-63108.5160.1-73.8-172.9171.300107.5H204E202-H204 PolarHBondContact O-N 3.41Å; E202-H204 VanDerWaalsContact O-N 3.1Å
203S42.6Very low58.3Low60 Ų6091 Ų9142%0.4250%0.5SS..  trans-65.5113.1170.555.20000107.9Q201 D205Q201-S203 PolarHBondContact O-N 2.73Å; Q201-S203 VanDerWaalsContact O-N 3.07Å; S203-D205 PolarHBondContact O-N 3.41Å
204H38.2Very low56.9Low184 Ų18490.6 Ų90.685%0.85250%0.498SS*.  trans-621.9174.4-85.1-64.7000114.5E202 S206E202-H204 PolarHBondContact O-N 3.41Å; E202-H204 VanDerWaalsContact O-N 3.1Å; H204-S206 PolarHBondContact O-N 3.49Å; H204-S206 VanDerWaalsContact O-N 3.13Å
205D40.3Very low55.8Low145 Ų14594.2 Ų94.278%0.77552%0.517SS*.  trans-77.998171.5-100.9-17.5000110.9S203 G207S203-D205 PolarHBondContact O-N 3.41Å; D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.95Å
206S29.6Very low55.2Low128 Ų12893.8 Ų93.890%0.89551%0.513SS*.  trans-62.681.7166.155.10000110.6H204H204-S206 PolarHBondContact O-N 3.49Å; H204-S206 VanDerWaalsContact O-N 3.13Å
207G30.8Very low54.8Low49 Ų4995.5 Ų95.551%0.50552%0.522SS..SBendtrans-175.395.2176.700000113.5D205D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.95Å
208T30Very low54.5Low151 Ų15192.3 Ų92.393%0.92652%0.516SS*.  trans44.678159.447.50000115.9
209K36.7Very low54.5Low151 Ų15194.1 Ų94.166%0.65752%0.519SS*.  trans-120.6124157.2-81.7-174.1177.7179.50110.2S211K209-S211 PolarHBondContact O-N 2.84Å
210T33.5Very low55.1Low121 Ų12196.2 Ų96.274%0.74253%0.529SS*.  trans-57.5132160.846.90000108.2K212T210-K212 PolarHBondContact O-N 2.88Å
211S39Very low56.2Low84 Ų8495.3 Ų95.359%0.58752%0.519SS*.THydrogen-bonded Turntrans-56.453.5-178.361.90000115.9K209K209-S211 PolarHBondContact O-N 2.84Å
212K46Very low57.9Low164 Ų16490 Ų9071%0.71349%0.494SS*.THydrogen-bonded Turntrans-124.8-16.6-171.6-92.1-172.2173.6-176.10116E38 T210E38-K212 WeakPolarHBondContact OE1-CA 3.34Å; E38-K212 PolarHBondContact OE1-N 3.25Å; T210-K212 PolarHBondContact O-N 2.88Å
213D53.5Low60.2Low81 Ų8183.1 Ų83.143%0.43347%0.465SS..  trans-120.689.9-172.4-68.8-19.5000110N215D213-N215 PolarHBondContact O-N 3.44Å; D213-N215 VanDerWaalsContact O-N 3.09Å
214M62.6Low62.7Low41 Ų4180.5 Ų80.520%0.20245%0.446CS..  trans-55.1112.7161.6-76.7-69-161.300108.6I32 E38 A199 Y216I32-M214 HydrophobicContact CB-CE 4.42Å; I32-M214 HydrophobicContact CD1-CE 3.4Å; I32-M214 HydrophobicContact CG1-CE 3.63Å; I32-M214 HydrophobicContact CG2-CE 3.94Å; E38-M214 HydrophobicContact CB-CE 4.33Å; E38-M214 WeakPolarHBondContact OE2-CE 3.08Å; E38-M214 WeakPolarHBondContact OE2-CG 3.49Å; A199-M214 HydrophobicContact CB-CE 4.49Å; M214-Y216 VanDerWaalsContact C-N 3.28Å; M214-Y216 HydrophobicContact CB-CD2 4.03Å; M214-Y216 HydrophobicContact CB-CE1 4.05Å; M214-Y216 HydrophobicContact CB-CE2 3.44Å; M214-Y216 VanDerWaalsContact CB-CE2 3.44Å; M214-Y216 VanDerWaalsContact CB-CZ 3.43Å; M214-Y216 HydrophobicContact CG-CE2 4.45Å; M214-Y216 VanDerWaalsContact O-CD2 3.22Å; M214-Y216 WeakPolarHBondContact O-CD2 3.4Å; M214-Y216 PolarHBondContact O-N 2.87Å
215N72.5Confident65.3Low79 Ų7972.2 Ų72.242%0.42241%0.411SS..  trans-79.381.6-179.9-165.625.8000109.4Q201 D213Q201-N215 PolarHBondContact N-O 3.28Å; Q201-N215 VanDerWaalsContact N-O 3.08Å; D213-N215 PolarHBondContact O-N 3.44Å; D213-N215 VanDerWaalsContact O-N 3.09Å
216Y79.6Confident67.9Low28 Ų2868 Ų6811%0.1139%0.386CS..  trans-69.8131.2178.8-64.9-69.8000110.8F42 F156 C183 A199 M214 P218 W221F42-Y216 HydrophobicContact CE2-CE1 4.19Å; F156-Y216 HydrophobicContact CB-CD2 3.93Å; F156-Y216 HydrophobicContact CB-CE2 4.48Å; F156-Y216 HydrophobicContact CD2-CD2 4.23Å; F156-Y216 HydrophobicContact CG-CD2 4.02Å; C183-Y216 HydrophobicContact CB-CD2 4.43Å; C183-Y216 HydrophobicContact CB-CE1 4.44Å; C183-Y216 HydrophobicContact CB-CE2 4.04Å; A199-Y216 WeakPolarHBondContact O-CD1 3.48Å; A199-Y216 WeakPolarHBondContact O-CE1 3.33Å; M214-Y216 VanDerWaalsContact C-N 3.28Å; M214-Y216 HydrophobicContact CB-CD2 4.03Å; M214-Y216 HydrophobicContact CB-CE1 4.05Å; M214-Y216 HydrophobicContact CB-CE2 3.44Å; M214-Y216 VanDerWaalsContact CB-CE2 3.44Å; M214-Y216 VanDerWaalsContact CB-CZ 3.43Å; M214-Y216 HydrophobicContact CG-CE2 4.45Å; M214-Y216 VanDerWaalsContact O-CD2 3.22Å; M214-Y216 WeakPolarHBondContact O-CD2 3.4Å; M214-Y216 PolarHBondContact O-N 2.87Å; Y216-P218 VanDerWaalsContact O-CD 3.25Å; Y216-P218 WeakPolarHBondContact O-CD 3.22Å; Y216-W221 HydrophobicContact CD1-CB 4.44Å; Y216-W221 AromaticContact CD1-CD1 3.87Å; Y216-W221 AromaticContact CD1-CD2 3.58Å; Y216-W221 HydrophobicContact CD1-CD2 3.58Å; Y216-W221 AromaticContact CD1-CE2 3.78Å; Y216-W221 HydrophobicContact CD1-CE3 4.07Å; Y216-W221 AromaticContact CD1-CG 3.71Å; Y216-W221 HydrophobicContact CD1-CG 3.71Å; Y216-W221 HydrophobicContact CD1-CZ2 4.45Å; Y216-W221 AromaticContact CD1-NE1 3.92Å; Y216-W221 HydrophobicContact CE1-CD2 4.14Å; Y216-W221 HydrophobicContact CE1-CE3 4.2Å; Y216-W221 HydrophobicContact CE1-CZ3 4.46Å; Y216-W221 HydrophobicContact CG-CB 4.47Å; Y216-W221 HydrophobicContact CG-CD2 4.44Å; Y216-W221 HydrophobicContact CG-CG 4.14Å
217N84.3Confident71.1Confident37 Ų3761.9 Ų61.920%0.19834%0.344CS..  trans-66.1117.7169.6-179.3-1.8000109.7E219 E220 W221N217-E219 PolarHBondContact O-N 3.07Å; N217-E219 VanDerWaalsContact O-N 3.07Å; N217-E219 WeakPolarHBondContact OD1-CB 3.44Å; N217-E219 PolarHBondContact OD1-N 3.06Å; N217-E220 HydrophobicContact CB-CB 4.13Å; N217-E220 HydrophobicContact CB-CG 4.14Å; N217-E220 PolarHBondContact ND2-OE1 2.8Å; N217-E220 PolarHBondContact O-N 3.28Å; N217-W221 PolarHBondContact O-N 3.14Å
218P82Confident74.2Confident75 Ų7559.7 Ų59.749%0.48732%0.32SS..THydrogen-bonded Turntrans-62.7-15.3179.7-20.532.7000113.8R186 Y216R186-P218 PolarHBondContact NH1-O 3.37Å; R186-P218 VanDerWaalsContact NH1-O 3.11Å; R186-P218 PolarHBondContact NH2-O 2.8Å; Y216-P218 VanDerWaalsContact O-CD 3.25Å; Y216-P218 WeakPolarHBondContact O-CD 3.22Å
219E86Confident77.5Confident87 Ų8752.5 Ų52.541%0.40728%0.276SS..THydrogen-bonded Turntrans-79.6-26.4173-67.4-166.1173.900113.3R186 I195 N217R186-E219 WeakPolarHBondContact CD-O 3.25Å; R186-E219 VanDerWaalsContact NH1-C 3.26Å; R186-E219 VanDerWaalsContact NH1-CA 3.35Å; R186-E219 PolarHBondContact NH1-O 3.36Å; I195-E219 WeakPolarHBondContact CD1-O 3.46Å; N217-E219 PolarHBondContact O-N 3.07Å; N217-E219 VanDerWaalsContact O-N 3.07Å; N217-E219 WeakPolarHBondContact OD1-CB 3.44Å; N217-E219 PolarHBondContact OD1-N 3.06Å
220E91.9Very high80.4Confident46 Ų4645.3 Ų45.322%0.21525%0.245CC..THydrogen-bonded Turntrans-99.3-29.1-174.3-70.5169.5-148.800112.8R186 I195 A196 N217R186-E220 WeakPolarHBondContact CB-O 3.45Å; R186-E220 WeakPolarHBondContact CG-O 3.14Å; R186-E220 PolarHBondContact N-O 3.36Å; I195-E220 HydrophobicContact CD1-CB 4.45Å; I195-E220 HydrophobicContact CD1-CG 4.34Å; I195-E220 HydrophobicContact CG1-CB 4.23Å; I195-E220 HydrophobicContact CG1-CG 4.19Å; A196-E220 WeakPolarHBondContact CA-OE2 3.34Å; A196-E220 HydrophobicContact CB-CB 4.04Å; N217-E220 HydrophobicContact CB-CB 4.13Å; N217-E220 HydrophobicContact CB-CG 4.14Å; N217-E220 PolarHBondContact ND2-OE1 2.8Å; N217-E220 PolarHBondContact O-N 3.28Å
221W94.1Very high83.3Confident1 Ų142.6 Ų42.60%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-115.5155.9-170.9-62.489000111.9L28 F42 M46 F156 Y184 P185 R186 A196 C198 Y216 N217L28-W221 HydrophobicContact CD1-CH2 4.21Å; F42-W221 AromaticContact CE2-CH2 3.82Å; F42-W221 HydrophobicContact CE2-CH2 3.82Å; F42-W221 HydrophobicContact CE2-CZ3 4.01Å; F42-W221 AromaticContact CZ-CH2 3.66Å; F42-W221 HydrophobicContact CZ-CH2 3.66Å; F42-W221 HydrophobicContact CZ-CZ3 4.22Å; M46-W221 HydrophobicContact CE-CZ3 4.09Å; F156-W221 HydrophobicContact CZ-CB 4.01Å; Y184-W221 VanDerWaalsContact C-CE3 3.45Å; Y184-W221 WeakPolarHBondContact O-CA 3.33Å; P185-W221 HydrophobicContact CB-CE3 4.16Å; P185-W221 HydrophobicContact CB-CH2 4.01Å; P185-W221 HydrophobicContact CB-CZ3 3.83Å; P185-W221 HydrophobicContact CG-CH2 4.48Å; P185-W221 HydrophobicContact CG-CZ3 4.18Å; R186-W221 PolarHBondContact NE-O 2.9Å; R186-W221 VanDerWaalsContact NE-O 3.1Å; R186-W221 PolarHBondContact NH2-O 3.46Å; R186-W221 VanDerWaalsContact NH2-O 3.11Å; A196-W221 HydrophobicContact CB-CH2 4.26Å; A196-W221 HydrophobicContact CB-CZ2 3.46Å; A196-W221 VanDerWaalsContact CB-CZ2 3.46Å; C198-W221 WeakPolarHBondContact O-CZ2 3.21Å; Y216-W221 HydrophobicContact CD1-CB 4.44Å; Y216-W221 AromaticContact CD1-CD1 3.87Å; Y216-W221 AromaticContact CD1-CD2 3.58Å; Y216-W221 HydrophobicContact CD1-CD2 3.58Å; Y216-W221 AromaticContact CD1-CE2 3.78Å; Y216-W221 HydrophobicContact CD1-CE3 4.07Å; Y216-W221 AromaticContact CD1-CG 3.71Å; Y216-W221 HydrophobicContact CD1-CG 3.71Å; Y216-W221 HydrophobicContact CD1-CZ2 4.45Å; Y216-W221 AromaticContact CD1-NE1 3.92Å; Y216-W221 HydrophobicContact CE1-CD2 4.14Å; Y216-W221 HydrophobicContact CE1-CE3 4.2Å; Y216-W221 HydrophobicContact CE1-CZ3 4.46Å; Y216-W221 HydrophobicContact CG-CB 4.47Å; Y216-W221 HydrophobicContact CG-CD2 4.44Å; Y216-W221 HydrophobicContact CG-CG 4.14Å; N217-W221 PolarHBondContact O-N 3.14Å
222Y94.9Very high86Confident3 Ų339 Ų391%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-151.1151.8175.775.6-72.8000111.9Y184 P185 R186 Q373 L374 E375Y184-Y222 PolarHBondContact N-O 2.78Å; Y184-Y222 WeakPolarHBondContact O-CD1 3.49Å; Y184-Y222 PolarHBondContact O-N 2.93Å; P185-Y222 WeakPolarHBondContact O-CE1 3.29Å; R186-Y222 HydrophobicContact CB-CD1 4.49Å; R186-Y222 HydrophobicContact CG-CD1 3.61Å; R186-Y222 HydrophobicContact CG-CE1 4.36Å; R186-Y222 HydrophobicContact CG-CG 4.28Å; Y222-Q373 HydrophobicContact CD1-CG 3.96Å; Y222-Q373 HydrophobicContact CD2-CB 3.81Å; Y222-Q373 HydrophobicContact CD2-CG 3.77Å; Y222-Q373 HydrophobicContact CE1-CB 4.44Å; Y222-Q373 HydrophobicContact CE1-CG 4.25Å; Y222-Q373 HydrophobicContact CE2-CB 3.72Å; Y222-Q373 HydrophobicContact CE2-CG 4.1Å; Y222-Q373 HydrophobicContact CG-CB 4.27Å; Y222-Q373 HydrophobicContact CG-CG 3.72Å; Y222-L374 VanDerWaalsContact CE2-O 3.25Å; Y222-L374 WeakPolarHBondContact CE2-O 3.33Å; Y222-L374 WeakPolarHBondContact OH-CA 3.5Å; Y222-L374 PolarHBondContact OH-N 2.86Å; Y222-L374 PolarHBondContact OH-O 3.24Å; Y222-E375 HydrophobicContact CD2-CG 4.24Å; Y222-E375 HydrophobicContact CE2-CG 3.82Å
223P95.3Very high88.5Confident31 Ų3131.2 Ų31.220%0.20116%0.162CC..  trans-75.6135.8167.728.5-30.8000110.9Q181 G225Q181-P223 HydrophobicContact CG-CB 4.16Å; P223-G225 PolarHBondContact O-N 3.26Å
224P95.2Very high90.5Very high4 Ų427.7 Ų27.73%0.02614%0.143CC..  trans-78.536.4-173.232.6-37.3000115.3S182 Y184 D228 E375 E376S182-P224 WeakPolarHBondContact O-CD 3.47Å; Y184-P224 HydrophobicContact CD2-CB 3.44Å; Y184-P224 VanDerWaalsContact CD2-CB 3.44Å; Y184-P224 HydrophobicContact CD2-CG 3.93Å; Y184-P224 HydrophobicContact CE2-CB 3.55Å; Y184-P224 HydrophobicContact CE2-CG 3.85Å; Y184-P224 HydrophobicContact CG-CB 4.22Å; Y184-P224 HydrophobicContact CG-CG 4.37Å; P224-D228 HydrophobicContact CG-CB 3.65Å; P224-E375 WeakPolarHBondContact O-CA 3.37Å; P224-E376 PolarHBondContact O-N 3.31Å; P224-E376 VanDerWaalsContact O-N 3.14Å
225G94.3Very high92Very high11 Ų1129.6 Ų29.611%0.11317%0.166CC..  trans72-177.8-176.700000113.1Q181 P223 G227Q181-G225 PolarHBondContact OE1-O 3.47Å; P223-G225 PolarHBondContact O-N 3.26Å; G225-G227 VanDerWaalsContact C-N 3.32Å; G225-G227 PolarHBondContact O-N 3.46Å
226H94.9Very high93Very high55 Ų5528.9 Ų28.926%0.25517%0.166SC..G310 helixtrans-80.2-11.5-174.45396.1000113.7L104 D228 F229 E376 A378L104-H226 HydrophobicContact CD1-CB 3.84Å; L104-H226 HydrophobicContact CD2-CB 4.15Å; H226-D228 PolarHBondContact O-N 3Å; H226-F229 VanDerWaalsContact O-CB 3.22Å; H226-F229 WeakPolarHBondContact O-CB 3.33Å; H226-F229 PolarHBondContact O-N 3.01Å; H226-E376 PolarHBondContact N-O 3.38Å; H226-A378 HydrophobicContact CB-CB 4.45Å; H226-A378 PolarHBondContact CE1-N 2.92Å; H226-A378 VanDerWaalsContact ND1-CB 3.29Å; H226-A378 WeakPolarHBondContact ND1-CB 3.3Å; H226-A378 PolarHBondContact ND1-N 3.31Å; H226-A378 WeakPolarHBondContact O-CB 3.45Å
227G95.8Very high93.8Very high0 Ų029 Ų290%018%0.177CC..G310 helixtrans-63.7-23.8173.800000114G225 F229 Y230 E376G225-G227 VanDerWaalsContact C-N 3.32Å; G225-G227 PolarHBondContact O-N 3.46Å; G227-F229 PolarHBondContact O-N 3.08Å; G227-F229 VanDerWaalsContact O-N 3.16Å; G227-Y230 VanDerWaalsContact O-CD2 3.25Å; G227-Y230 WeakPolarHBondContact O-CD2 3.46Å; G227-E376 WeakPolarHBondContact CA-O 3.23Å; G227-E376 PolarHBondContact N-O 3.34Å
228D96.7Very high94.4Very high3 Ų328.2 Ų28.22%0.01617%0.172CC..G310 helixtrans-67.8-12.4175.3178.577.8000113.8Q181 S182 P224 H226 Y230 R231 S232Q181-D228 WeakPolarHBondContact CA-OD2 3.37Å; Q181-D228 WeakPolarHBondContact CB-OD2 3.48Å; S182-D228 VanDerWaalsContact CB-OD1 3.31Å; S182-D228 WeakPolarHBondContact CB-OD1 3.31Å; S182-D228 PolarHBondContact N-OD2 3.18Å; S182-D228 PolarHBondContact OG-OD1 3.43Å; S182-D228 PolarHBondContact OG-OD2 3.48Å; P224-D228 HydrophobicContact CG-CB 3.65Å; H226-D228 PolarHBondContact O-N 3Å; D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 3.34Å; D228-Y230 VanDerWaalsContact O-N 3.16Å; D228-R231 PolarHBondContact O-N 2.92Å; D228-R231 VanDerWaalsContact O-N 3.12Å; D228-S232 VanDerWaalsContact CG-OG 3.32Å; D228-S232 WeakPolarHBondContact O-CB 3.47Å; D228-S232 PolarHBondContact O-N 3.36Å; D228-S232 PolarHBondContact OD1-OG 3.26Å; D228-S232 WeakPolarHBondContact OD2-CB 3.4Å; D228-S232 PolarHBondContact OD2-OG 3.13Å
229F97.8Very high95.1Very high0 Ų024.7 Ų24.70%015%0.149CC..Hα-helixtrans-42.5-52.5174.8165.9-109000112.5V102 M153 F179 H226 G227 R231 F233 V250 M252 I340 L345V102-F229 HydrophobicContact CB-CE2 4.39Å; V102-F229 HydrophobicContact CG1-CD2 4.13Å; V102-F229 HydrophobicContact CG1-CE2 3.68Å; V102-F229 HydrophobicContact CG1-CZ 4.39Å; V102-F229 HydrophobicContact CG2-CE2 4.05Å; V102-F229 HydrophobicContact CG2-CZ 4.2Å; M153-F229 HydrophobicContact SD-CB 3.74Å; M153-F229 HydrophobicContact SD-CD2 4.04Å; M153-F229 HydrophobicContact SD-CG 4.4Å; F179-F229 AromaticContact CZ-CD2 3.93Å; F179-F229 HydrophobicContact CZ-CD2 3.93Å; F179-F229 HydrophobicContact CZ-CE2 4.13Å; H226-F229 VanDerWaalsContact O-CB 3.22Å; H226-F229 WeakPolarHBondContact O-CB 3.33Å; H226-F229 PolarHBondContact O-N 3.01Å; G227-F229 PolarHBondContact O-N 3.08Å; G227-F229 VanDerWaalsContact O-N 3.16Å; F229-R231 PolarHBondContact O-N 3.35Å; F229-F233 HydrophobicContact CD2-CB 4.3Å; F229-F233 HydrophobicContact CE2-CB 3.89Å; F229-F233 HydrophobicContact CE2-CD1 4.25Å; F229-F233 HydrophobicContact CE2-CD2 4.27Å; F229-F233 AromaticContact CE2-CG 3.9Å; F229-F233 HydrophobicContact CE2-CG 3.9Å; F229-F233 HydrophobicContact CZ-CB 4.28Å; F229-F233 HydrophobicContact CZ-CD1 4Å; F229-F233 HydrophobicContact CZ-CG 4.13Å; F229-F233 WeakPolarHBondContact O-CB 3.42Å; F229-F233 PolarHBondContact O-N 2.99Å; F229-V250 HydrophobicContact CE1-CG1 4.46Å; F229-V250 HydrophobicContact CZ-CG1 3.97Å; F229-M252 HydrophobicContact CB-SD 4.09Å; F229-M252 HydrophobicContact CD1-CE 4.26Å; F229-M252 HydrophobicContact CD1-SD 3.49Å; F229-M252 WeakPolarHBondContact CD1-SD 3.45Å; F229-M252 HydrophobicContact CD2-SD 4.03Å; F229-M252 HydrophobicContact CE1-SD 3.93Å; F229-M252 HydrophobicContact CE2-SD 4.46Å; F229-M252 HydrophobicContact CG-SD 3.56Å; F229-M252 VanDerWaalsContact CG-SD 3.56Å; F229-M252 HydrophobicContact CZ-SD 4.42Å; F229-I340 HydrophobicContact CE1-CD1 4.02Å; F229-L345 HydrophobicContact CD1-CD1 4.47Å; F229-L345 HydrophobicContact CE1-CD1 3.56Å; F229-L345 HydrophobicContact CZ-CD1 4.07Å
230Y97.9Very high95.7Very high1 Ų123.3 Ų23.30%0.00414%0.143CC..Hα-helixtrans-60.4-48-174.8-53.6-76000111.7G227 D228 V234 F284 I340 L345 L354 M356 A378 A381 F385G227-Y230 VanDerWaalsContact O-CD2 3.25Å; G227-Y230 WeakPolarHBondContact O-CD2 3.46Å; D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 3.34Å; D228-Y230 VanDerWaalsContact O-N 3.16Å; Y230-V234 WeakPolarHBondContact O-CG2 3.39Å; Y230-V234 PolarHBondContact O-N 3.34Å; Y230-F284 VanDerWaalsContact OH-CE2 3.3Å; Y230-F284 WeakPolarHBondContact OH-CE2 3.35Å; Y230-I340 HydrophobicContact CE1-CD1 3.76Å; Y230-I340 HydrophobicContact CE1-CG2 4.47Å; Y230-L345 HydrophobicContact CD1-CD1 3.69Å; Y230-L345 HydrophobicContact CD1-CG 3.88Å; Y230-L345 HydrophobicContact CE1-CD1 4.23Å; Y230-L354 HydrophobicContact CD2-CD1 4.37Å; Y230-L354 HydrophobicContact CD2-CD2 3.68Å; Y230-L354 HydrophobicContact CG-CD1 4.42Å; Y230-L354 HydrophobicContact CG-CD2 3.81Å; Y230-M356 HydrophobicContact CD2-CE 4.21Å; Y230-M356 HydrophobicContact CD2-SD 4.22Å; Y230-M356 HydrophobicContact CE2-SD 3.98Å; Y230-A378 HydrophobicContact CE2-CB 4.12Å; Y230-A378 PolarHBondContact OH-O 2.99Å; Y230-A381 HydrophobicContact CD2-CB 4.35Å; Y230-A381 HydrophobicContact CE1-CB 4.48Å; Y230-A381 HydrophobicContact CE2-CB 3.48Å; Y230-A381 VanDerWaalsContact CE2-CB 3.48Å; Y230-F385 HydrophobicContact CE1-CE2 4.48Å; Y230-F385 HydrophobicContact CE1-CZ 4.3Å
231R95.7Very high96Very high64 Ų6426.3 Ų26.324%0.24216%0.155CC..Hα-helixtrans-68.8-48.2-176.6-58.5-178.8-163.1-141.92.8110.2S48 D228 F229 V234 A235 E376S48-R231 PolarHBondContact OG-NH1 3.47Å; D228-R231 PolarHBondContact O-N 2.92Å; D228-R231 VanDerWaalsContact O-N 3.12Å; F229-R231 PolarHBondContact O-N 3.35Å; R231-V234 PolarHBondContact O-N 2.8Å; R231-A235 WeakPolarHBondContact O-CB 3.39Å; R231-A235 PolarHBondContact O-N 3.33Å; R231-E376 IonicContact NE-OE2 2.73Å; R231-E376 IonicContact NH2-OE1 2.68Å; R231-E376 PolarHBondContact NH2-OE1 2.85Å; R231-E376 IonicContact NH2-OE2 3.18Å; R231-E376 PolarHBondContact NH2-OE2 2.77Å
232S95.8Very high96.2Very high8 Ų826.3 Ų26.36%0.05616%0.155CC..Hα-helixtrans-68.8-36-177.6-74.80000113.1S182 D228 V234 A235 C236S182-S232 PolarHBondContact N-OG 3.44Å; S182-S232 PolarHBondContact OG-OG 3.09Å; D228-S232 VanDerWaalsContact CG-OG 3.32Å; D228-S232 WeakPolarHBondContact O-CB 3.47Å; D228-S232 PolarHBondContact O-N 3.36Å; D228-S232 PolarHBondContact OD1-OG 3.26Å; D228-S232 WeakPolarHBondContact OD2-CB 3.4Å; D228-S232 PolarHBondContact OD2-OG 3.13Å; S232-V234 VanDerWaalsContact C-N 3.35Å; S232-V234 PolarHBondContact O-N 2.93Å; S232-A235 PolarHBondContact O-N 3.45Å; S232-C236 WeakPolarHBondContact O-CB 3.37Å; S232-C236 PolarHBondContact O-N 2.97Å; S232-C236 PolarHBondContact O-SG 3.02Å
233F97.5Very high96.3Very high0 Ų028.5 Ų28.50%017%0.167CC..Hα-helixtrans-66.9-35.4177.6-170.3-123.2000112.7V151 F179 F229 C236 L238 A239 M242 V250 L342 L345V151-F233 HydrophobicContact CG1-CE2 4.12Å; F179-F233 HydrophobicContact CD1-CD2 4.24Å; F179-F233 AromaticContact CE1-CD2 3.77Å; F179-F233 HydrophobicContact CE1-CD2 3.77Å; F179-F233 HydrophobicContact CE1-CE2 4.44Å; F179-F233 HydrophobicContact CE2-CB 4.2Å; F179-F233 HydrophobicContact CZ-CB 4.02Å; F179-F233 AromaticContact CZ-CD2 3.93Å; F179-F233 HydrophobicContact CZ-CD2 3.93Å; F179-F233 HydrophobicContact CZ-CG 4.42Å; F229-F233 HydrophobicContact CD2-CB 4.3Å; F229-F233 HydrophobicContact CE2-CB 3.89Å; F229-F233 HydrophobicContact CE2-CD1 4.25Å; F229-F233 HydrophobicContact CE2-CD2 4.27Å; F229-F233 AromaticContact CE2-CG 3.9Å; F229-F233 HydrophobicContact CE2-CG 3.9Å; F229-F233 HydrophobicContact CZ-CB 4.28Å; F229-F233 HydrophobicContact CZ-CD1 4Å; F229-F233 HydrophobicContact CZ-CG 4.13Å; F229-F233 WeakPolarHBondContact O-CB 3.42Å; F229-F233 PolarHBondContact O-N 2.99Å; F233-C236 PolarHBondContact O-SG 2.98Å; F233-L238 HydrophobicContact CD2-CB 3.77Å; F233-L238 HydrophobicContact CD2-CD1 4.32Å; F233-L238 HydrophobicContact CE2-CB 3.38Å; F233-L238 HydrophobicContact CE2-CD1 4.07Å; F233-L238 HydrophobicContact CE2-CG 4.38Å; F233-L238 HydrophobicContact CZ-CB 4.06Å; F233-L238 PolarHBondContact O-N 2.88Å; F233-A239 HydrophobicContact CD1-CB 3.76Å; F233-A239 HydrophobicContact CE1-CB 3.88Å; F233-A239 HydrophobicContact CG-CB 4.5Å; F233-A239 PolarHBondContact O-N 3.03Å; F233-M242 HydrophobicContact CZ-CG 4.15Å; F233-V250 HydrophobicContact CE1-CG2 4.34Å; F233-L342 HydrophobicContact CD1-CD1 4.47Å; F233-L342 HydrophobicContact CE1-CD1 3.73Å; F233-L345 HydrophobicContact CD1-CD2 4.32Å
234V96.4Very high96.4Very high7 Ų731.2 Ų31.24%0.04219%0.191CC..Hα-helixtrans-77.2-41.3172.4174.90000111.3Y230 R231 S232 C236 G237 A239 L345 V349 K350Y230-V234 WeakPolarHBondContact O-CG2 3.39Å; Y230-V234 PolarHBondContact O-N 3.34Å; R231-V234 PolarHBondContact O-N 2.8Å; S232-V234 VanDerWaalsContact C-N 3.35Å; S232-V234 PolarHBondContact O-N 2.93Å; V234-C236 VanDerWaalsContact C-N 3.3Å; V234-C236 PolarHBondContact O-N 2.91Å; V234-G237 PolarHBondContact O-N 3.11Å; V234-A239 HydrophobicContact CB-CB 4.46Å; V234-A239 HydrophobicContact CG2-CB 3.8Å; V234-L345 HydrophobicContact CG2-CD2 3.63Å; V234-V349 HydrophobicContact CB-CB 4.47Å; V234-V349 HydrophobicContact CB-CG1 3.98Å; V234-V349 HydrophobicContact CG1-CG1 4.05Å; V234-V349 HydrophobicContact CG2-CB 4.04Å; V234-V349 HydrophobicContact CG2-CG1 4.1Å; V234-V349 HydrophobicContact CG2-CG2 4.11Å; V234-K350 HydrophobicContact CG1-CD 4.26Å
235A93.1Very high96.5Very high82 Ų8235.5 Ų35.568%0.67821%0.213SC*.Hα-helixtrans-63.6-35.1-178.100000112.8R231 S232 G237R231-A235 WeakPolarHBondContact O-CB 3.39Å; R231-A235 PolarHBondContact O-N 3.33Å; S232-A235 PolarHBondContact O-N 3.45Å; A235-G237 VanDerWaalsContact C-N 3.26Å; A235-G237 PolarHBondContact O-N 3.31Å
236C93.7Very high96.7Very high63 Ų6337 Ų3743%0.42623%0.228SC..THydrogen-bonded Turntrans-79-4.6175.570.80000114F179 S232 F233 V234 L238F179-C236 HydrophobicContact CB-CB 4.23Å; S232-C236 WeakPolarHBondContact O-CB 3.37Å; S232-C236 PolarHBondContact O-N 2.97Å; S232-C236 PolarHBondContact O-SG 3.02Å; F233-C236 PolarHBondContact O-SG 2.98Å; V234-C236 VanDerWaalsContact C-N 3.3Å; V234-C236 PolarHBondContact O-N 2.91Å; C236-L238 VanDerWaalsContact C-N 3.26Å; C236-L238 PolarHBondContact O-N 2.56Å
237G95.9Very high96.8Very high32 Ų3235 Ų3533%0.3322%0.219SC..THydrogen-bonded Turntrans76.83.6178.500000115.1V234 A235 A239 E240 K241V234-G237 PolarHBondContact O-N 3.11Å; A235-G237 VanDerWaalsContact C-N 3.26Å; A235-G237 PolarHBondContact O-N 3.31Å; G237-A239 VanDerWaalsContact C-N 3.34Å; G237-E240 WeakPolarHBondContact CA-OE2 3.19Å; G237-K241 WeakPolarHBondContact O-CB 3.49Å; G237-K241 PolarHBondContact O-N 2.65Å
238L97.4Very high96.9Very high20 Ų2038.3 Ų38.311%0.10523%0.234CC..Hα-helixtrans-67.8-35.4176.7-75.3179000111.6V151 L177 F179 F233 C236 K241 M242V151-L238 HydrophobicContact CG1-CD1 4.11Å; L177-L238 HydrophobicContact CD1-CD2 4.16Å; F179-L238 HydrophobicContact CB-CD1 3.94Å; F179-L238 HydrophobicContact CD1-CD1 3.84Å; F179-L238 HydrophobicContact CG-CD1 4.15Å; F233-L238 HydrophobicContact CD2-CB 3.77Å; F233-L238 HydrophobicContact CD2-CD1 4.32Å; F233-L238 HydrophobicContact CE2-CB 3.38Å; F233-L238 HydrophobicContact CE2-CD1 4.07Å; F233-L238 HydrophobicContact CE2-CG 4.38Å; F233-L238 HydrophobicContact CZ-CB 4.06Å; F233-L238 PolarHBondContact O-N 2.88Å; C236-L238 VanDerWaalsContact C-N 3.26Å; C236-L238 PolarHBondContact O-N 2.56Å; L238-K241 HydrophobicContact CD2-CD 4.38Å; L238-K241 PolarHBondContact O-N 3.14Å; L238-M242 WeakPolarHBondContact O-CB 3.43Å; L238-M242 WeakPolarHBondContact O-CG 3.47Å; L238-M242 PolarHBondContact O-N 3.3Å
239A97.7Very high97Very high0 Ų038.6 Ų38.60%024%0.235CC..Hα-helixtrans-57-52.5175.300000111.4F233 V234 G237 K241 M242 I243 L342F233-A239 HydrophobicContact CD1-CB 3.76Å; F233-A239 HydrophobicContact CE1-CB 3.88Å; F233-A239 HydrophobicContact CG-CB 4.5Å; F233-A239 PolarHBondContact O-N 3.03Å; V234-A239 HydrophobicContact CB-CB 4.46Å; V234-A239 HydrophobicContact CG2-CB 3.8Å; G237-A239 VanDerWaalsContact C-N 3.34Å; A239-K241 VanDerWaalsContact C-N 3.34Å; A239-K241 PolarHBondContact O-N 2.87Å; A239-M242 PolarHBondContact O-N 3.23Å; A239-I243 VanDerWaalsContact O-CG1 3.3Å; A239-I243 WeakPolarHBondContact O-CG1 3.44Å; A239-I243 PolarHBondContact O-N 3.39Å; A239-L342 HydrophobicContact CB-CD1 4.31Å
240E97.8Very high97Very high59 Ų5938.6 Ų38.628%0.27624%0.235SC..Hα-helixtrans-60.1-42.6177.1-70.985.6167.400112G237 M242 I243 A244 H346 K350G237-E240 WeakPolarHBondContact CA-OE2 3.19Å; E240-M242 VanDerWaalsContact C-N 3.35Å; E240-M242 PolarHBondContact O-N 3.06Å; E240-I243 PolarHBondContact O-N 3.12Å; E240-A244 WeakPolarHBondContact O-CB 3.48Å; E240-A244 PolarHBondContact O-N 3.48Å; E240-H346 WeakPolarHBondContact CG-NE2 3.49Å; E240-H346 IonicContact OE1-CD2 3.34Å; E240-H346 PolarHBondContact OE1-CD2 2.77Å; E240-H346 IonicContact OE1-CE1 3.47Å; E240-H346 IonicContact OE1-NE2 3.59Å; E240-H346 PolarHBondContact OE1-NE2 3.24Å; E240-K350 WeakPolarHBondContact OE1-CE 3.31Å; E240-K350 IonicContact OE1-NZ 2.82Å; E240-K350 PolarHBondContact OE1-NZ 2.97Å
241K98Very high97Very high108 Ų10838.5 Ų38.547%0.4724%0.235SC..Hα-helixtrans-61.4-43.1177.1-173.6-178.8179.9-178.50111.9G237 L238 A239 A244 I245G237-K241 WeakPolarHBondContact O-CB 3.49Å; G237-K241 PolarHBondContact O-N 2.65Å; L238-K241 HydrophobicContact CD2-CD 4.38Å; L238-K241 PolarHBondContact O-N 3.14Å; A239-K241 VanDerWaalsContact C-N 3.34Å; A239-K241 PolarHBondContact O-N 2.87Å; K241-A244 PolarHBondContact O-N 3.26Å; K241-I245 PolarHBondContact O-N 3.31Å
242M98.1Very high97.2Very high1 Ų135.5 Ų35.51%0.00522%0.224CC..Hα-helixtrans-67.2-41.8179.2-70.5-57.6166.500111.8V100 P149 V151 L177 F233 L238 A239 E240 A244 I245 G246 K247 L342V100-M242 HydrophobicContact CG1-SD 4.5Å; V100-M242 HydrophobicContact CG2-CB 4.15Å; V100-M242 HydrophobicContact CG2-CG 3.93Å; V100-M242 HydrophobicContact CG2-SD 3.76Å; P149-M242 HydrophobicContact CB-CE 4.1Å; P149-M242 HydrophobicContact CG-CE 4.1Å; P149-M242 HydrophobicContact CG-SD 3.92Å; V151-M242 HydrophobicContact CG2-CE 4.14Å; L177-M242 HydrophobicContact CD1-CE 3.15Å; F233-M242 HydrophobicContact CZ-CG 4.15Å; L238-M242 WeakPolarHBondContact O-CB 3.43Å; L238-M242 WeakPolarHBondContact O-CG 3.47Å; L238-M242 PolarHBondContact O-N 3.3Å; A239-M242 PolarHBondContact O-N 3.23Å; E240-M242 VanDerWaalsContact C-N 3.35Å; E240-M242 PolarHBondContact O-N 3.06Å; M242-A244 VanDerWaalsContact C-N 3.32Å; M242-A244 PolarHBondContact O-N 2.93Å; M242-I245 VanDerWaalsContact O-CG1 3.25Å; M242-I245 WeakPolarHBondContact O-CG1 3.31Å; M242-I245 PolarHBondContact O-N 3.29Å; M242-I245 HydrophobicContact SD-CD1 3.86Å; M242-G246 PolarHBondContact O-N 3.28Å; M242-K247 HydrophobicContact CB-CB 4.14Å; M242-K247 HydrophobicContact CB-CG 4.2Å; M242-K247 VanDerWaalsContact O-CB 3.25Å; M242-K247 WeakPolarHBondContact O-CB 3.47Å; M242-K247 WeakPolarHBondContact O-CG 3.13Å; M242-K247 PolarHBondContact O-N 2.84Å; M242-K247 HydrophobicContact SD-CG 4.12Å; M242-L342 HydrophobicContact CB-CD2 3.6Å
243I98.1Very high97.3Very high50 Ų5035.1 Ų35.126%0.25622%0.221SC..Hα-helixtrans-60-45.4173.6-66.8167.8000110.1A239 E240 I245 G246 L342 H346A239-I243 VanDerWaalsContact O-CG1 3.3Å; A239-I243 WeakPolarHBondContact O-CG1 3.44Å; A239-I243 PolarHBondContact O-N 3.39Å; E240-I243 PolarHBondContact O-N 3.12Å; I243-I245 VanDerWaalsContact C-N 3.29Å; I243-I245 PolarHBondContact O-N 3.06Å; I243-G246 PolarHBondContact O-N 2.9Å; I243-L342 HydrophobicContact CD1-CG 4.09Å; I243-L342 HydrophobicContact CG1-CD2 3.56Å; I243-L342 HydrophobicContact CG1-CG 3.57Å; I243-H346 HydrophobicContact CD1-CB 3.9Å
244A97.9Very high97.3Very high87 Ų8736.8 Ų36.872%0.71923%0.23SC*.Hα-helixtrans-62.1-33.2-177.700000113.5E240 K241 M242 G246E240-A244 WeakPolarHBondContact O-CB 3.48Å; E240-A244 PolarHBondContact O-N 3.48Å; K241-A244 PolarHBondContact O-N 3.26Å; M242-A244 VanDerWaalsContact C-N 3.32Å; M242-A244 PolarHBondContact O-N 2.93Å; A244-G246 PolarHBondContact O-N 3.45Å
245I96.4Very high97.3Very high95 Ų9536.7 Ų36.749%0.48723%0.229SC..THydrogen-bonded Turntrans-86.28.6175.268.3171.1000113.1K241 M242 I243 K247K241-I245 PolarHBondContact O-N 3.31Å; M242-I245 VanDerWaalsContact O-CG1 3.25Å; M242-I245 WeakPolarHBondContact O-CG1 3.31Å; M242-I245 PolarHBondContact O-N 3.29Å; M242-I245 HydrophobicContact SD-CD1 3.86Å; I243-I245 VanDerWaalsContact C-N 3.29Å; I243-I245 PolarHBondContact O-N 3.06Å; I245-K247 HydrophobicContact CD1-CG 4.03Å; I245-K247 HydrophobicContact CG1-CG 3.88Å
246G97.4Very high97.4Very high42 Ų4233.3 Ų33.343%0.43320%0.2SC..THydrogen-bonded Turntrans87.515.4173.800000115.6M242 I243 A244M242-G246 PolarHBondContact O-N 3.28Å; I243-G246 PolarHBondContact O-N 2.9Å; A244-G246 PolarHBondContact O-N 3.45Å
247K98.1Very high97.5Very high13 Ų1330.5 Ų30.56%0.05718%0.181CC..  trans-72.8145.9171.7-53.9-58.9-174.4169.40110.6N97 L99 V100 N147 M242 I245 L342N97-K247 WeakPolarHBondContact O-CD 3.4Å; N97-K247 WeakPolarHBondContact O-CE 3.25Å; N97-K247 PolarHBondContact O-NZ 3.34Å; L99-K247 WeakPolarHBondContact O-CD 3.48Å; L99-K247 PolarHBondContact O-NZ 2.7Å; V100-K247 HydrophobicContact CG2-CB 3.63Å; V100-K247 HydrophobicContact CG2-CD 4.05Å; V100-K247 HydrophobicContact CG2-CG 3.5Å; N147-K247 PolarHBondContact O-NZ 3.47Å; M242-K247 HydrophobicContact CB-CB 4.14Å; M242-K247 HydrophobicContact CB-CG 4.2Å; M242-K247 VanDerWaalsContact O-CB 3.25Å; M242-K247 WeakPolarHBondContact O-CB 3.47Å; M242-K247 WeakPolarHBondContact O-CG 3.13Å; M242-K247 PolarHBondContact O-N 2.84Å; M242-K247 HydrophobicContact SD-CG 4.12Å; I245-K247 HydrophobicContact CD1-CG 4.03Å; I245-K247 HydrophobicContact CG1-CG 3.88Å; K247-L342 HydrophobicContact CB-CD2 4.06Å
248Q97.6Very high97.5Very high69 Ų6929.4 Ų29.432%0.32217%0.167SC..  trans-125.1-33.4-176.8-63.2-172.4-2000112.6K98 L342K98-Q248 HydrophobicContact CB-CB 4.28Å; K98-Q248 HydrophobicContact CB-CG 4.32Å; K98-Q248 HydrophobicContact CD-CG 4.4Å; K98-Q248 HydrophobicContact CG-CG 4.38Å; K98-Q248 PolarHBondContact O-N 3Å; Q248-L342 VanDerWaalsContact O-CB 3.23Å; Q248-L342 WeakPolarHBondContact O-CB 3.48Å; Q248-L342 PolarHBondContact O-N 2.95Å
249W98.2Very high97.4Very high9 Ų928.8 Ų28.83%0.03417%0.165CC..EExtended strand (participates in β ladder)trans-122.7139.7-174.3-77.590.8000111.8K98 L99 V100 L270 M271 P282 W339 D341K98-W249 PolarHBondContact O-N 3.47Å; K98-W249 VanDerWaalsContact O-N 3.11Å; L99-W249 CarbonylContact C-O 3.59Å; L99-W249 HydrophobicContact CD1-CB 4.13Å; V100-W249 PolarHBondContact N-O 2.83Å; W249-L270 HydrophobicContact CD2-CB 4.29Å; W249-L270 HydrophobicContact CD2-CD1 4.08Å; W249-L270 HydrophobicContact CE3-CD1 3.86Å; W249-L270 HydrophobicContact CH2-CB 4.23Å; W249-L270 HydrophobicContact CH2-CD1 4.33Å; W249-L270 HydrophobicContact CH2-CD2 3.7Å; W249-L270 HydrophobicContact CH2-CG 4.29Å; W249-L270 HydrophobicContact CZ2-CB 3.79Å; W249-L270 HydrophobicContact CZ2-CD2 4.11Å; W249-L270 HydrophobicContact CZ2-CG 4.35Å; W249-L270 HydrophobicContact CZ3-CD1 3.99Å; W249-L270 HydrophobicContact CZ3-CD2 4.01Å; W249-L270 HydrophobicContact CZ3-CG 4.44Å; W249-M271 HydrophobicContact CB-CE 4.22Å; W249-M271 VanDerWaalsContact CD1-CE 3.42Å; W249-M271 HydrophobicContact CG-CE 4.09Å; W249-P282 WeakPolarHBondContact CH2-O 3.41Å; W249-W339 HydrophobicContact CE3-CB 4.19Å; W249-W339 HydrophobicContact CZ3-CB 4.2Å; W249-D341 HydrophobicContact CH2-CB 4.15Å; W249-D341 HydrophobicContact CZ2-CB 4.32Å; W249-D341 HydrophobicContact CZ3-CB 4.29Å; W249-D341 VanDerWaalsContact CZ3-N 3.34Å
250V98.6Very high97.4Very high0 Ų028.8 Ų28.80%017%0.165CC..EExtended strand (participates in β ladder)trans-105.1125.6167.2170.30000108.3V100 V102 F229 F233 M252 W339 I340 L342V100-V250 HydrophobicContact CB-CG2 4.33Å; V100-V250 WeakPolarHBondContact O-CA 3.39Å; V102-V250 HydrophobicContact CB-CG1 4.05Å; V102-V250 HydrophobicContact CG2-CG1 3.5Å; F229-V250 HydrophobicContact CE1-CG1 4.46Å; F229-V250 HydrophobicContact CZ-CG1 3.97Å; F233-V250 HydrophobicContact CE1-CG2 4.34Å; V250-M252 HydrophobicContact CG1-CB 4.3Å; V250-W339 CarbonylContact O-C 3.55Å; V250-W339 VanDerWaalsContact O-CA 3.32Å; V250-W339 WeakPolarHBondContact O-CA 3.36Å; V250-I340 PolarHBondContact N-O 3.18Å; V250-I340 PolarHBondContact O-N 2.86Å; V250-L342 HydrophobicContact CG2-CD1 3.92Å
251F98.7Very high97.4Very high0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-101.2111.4163.5175.4-142.6000109.3L99 V100 M101 V102 A260 T261 V262 N337 W339L99-F251 HydrophobicContact CD1-CB 3.92Å; V100-F251 PolarHBondContact O-N 2.86Å; M101-F251 HydrophobicContact CE-CD1 3.57Å; M101-F251 HydrophobicContact CE-CE1 3.52Å; M101-F251 HydrophobicContact CE-CG 4.41Å; M101-F251 HydrophobicContact CE-CZ 4.37Å; M101-F251 HydrophobicContact SD-CB 4.05Å; M101-F251 HydrophobicContact SD-CD1 3.17Å; M101-F251 WeakPolarHBondContact SD-CD1 3.44Å; M101-F251 HydrophobicContact SD-CE1 3.79Å; M101-F251 HydrophobicContact SD-CG 3.87Å; V102-F251 PolarHBondContact N-O 3.44Å; F251-A260 HydrophobicContact CZ-CB 4.15Å; F251-T261 VanDerWaalsContact CE1-O 3.29Å; F251-T261 WeakPolarHBondContact CE1-O 3.34Å; F251-V262 HydrophobicContact CD1-CG2 4.32Å; F251-N337 HydrophobicContact CE2-CB 3.91Å; F251-N337 HydrophobicContact CZ-CB 4.37Å; F251-W339 HydrophobicContact CB-CD2 4.11Å; F251-W339 HydrophobicContact CB-CE3 3.76Å; F251-W339 HydrophobicContact CB-CH2 4.08Å; F251-W339 HydrophobicContact CB-CZ2 4.4Å; F251-W339 HydrophobicContact CB-CZ3 3.74Å; F251-W339 HydrophobicContact CD1-CH2 4.05Å; F251-W339 HydrophobicContact CD1-CZ2 4.04Å; F251-W339 AromaticContact CD2-CD2 3.83Å; F251-W339 HydrophobicContact CD2-CD2 3.83Å; F251-W339 AromaticContact CD2-CE2 3.51Å; F251-W339 HydrophobicContact CD2-CE3 4.34Å; F251-W339 HydrophobicContact CD2-CG 4.24Å; F251-W339 HydrophobicContact CD2-CH2 4.34Å; F251-W339 AromaticContact CD2-CZ2 3.81Å; F251-W339 HydrophobicContact CD2-CZ2 3.81Å; F251-W339 AromaticContact CD2-NE1 3.7Å; F251-W339 HydrophobicContact CE1-CZ2 4.34Å; F251-W339 AromaticContact CE2-CE2 3.92Å; F251-W339 HydrophobicContact CE2-CZ2 4.1Å; F251-W339 AromaticContact CE2-NE1 3.79Å; F251-W339 HydrophobicContact CG-CD2 4.12Å; F251-W339 AromaticContact CG-CE2 3.91Å; F251-W339 HydrophobicContact CG-CE3 4.18Å; F251-W339 AromaticContact CG-CH2 3.9Å; F251-W339 HydrophobicContact CG-CH2 3.9Å; F251-W339 AromaticContact CG-CZ2 3.82Å; F251-W339 HydrophobicContact CG-CZ2 3.82Å; F251-W339 HydrophobicContact CG-CZ3 4.06Å; F251-W339 HydrophobicContact CZ-CZ2 4.37Å
252M98.5Very high97.3Very high0 Ų023.5 Ų23.50%015%0.146CC..EExtended strand (participates in β ladder)trans-107.3133-178.5-177.717764.900110.8V102 L104 F229 V250 N337 L338 I340 A378V102-M252 HydrophobicContact CB-CB 4.27Å; V102-M252 HydrophobicContact CB-CG 4.38Å; V102-M252 HydrophobicContact CG1-CG 4.13Å; V102-M252 WeakPolarHBondContact O-CA 3.39Å; L104-M252 HydrophobicContact CD1-CG 4.37Å; L104-M252 HydrophobicContact CD1-SD 4.5Å; L104-M252 HydrophobicContact CD2-CG 4.05Å; L104-M252 HydrophobicContact CD2-SD 3.79Å; L104-M252 HydrophobicContact CG-CG 4.09Å; L104-M252 HydrophobicContact CG-SD 4.38Å; F229-M252 HydrophobicContact CB-SD 4.09Å; F229-M252 HydrophobicContact CD1-CE 4.26Å; F229-M252 HydrophobicContact CD1-SD 3.49Å; F229-M252 WeakPolarHBondContact CD1-SD 3.45Å; F229-M252 HydrophobicContact CD2-SD 4.03Å; F229-M252 HydrophobicContact CE1-SD 3.93Å; F229-M252 HydrophobicContact CE2-SD 4.46Å; F229-M252 HydrophobicContact CG-SD 3.56Å; F229-M252 VanDerWaalsContact CG-SD 3.56Å; F229-M252 HydrophobicContact CZ-SD 4.42Å; V250-M252 HydrophobicContact CG1-CB 4.3Å; M252-N337 WeakPolarHBondContact O-CA 3.26Å; M252-L338 HydrophobicContact CE-CB 4Å; M252-L338 HydrophobicContact CE-CD1 3.26Å; M252-L338 HydrophobicContact CE-CG 4.05Å; M252-L338 PolarHBondContact N-O 2.65Å; M252-L338 PolarHBondContact O-N 2.99Å; M252-I340 HydrophobicContact CE-CD1 3.98Å; M252-A378 HydrophobicContact CE-CB 3.5Å; M252-A378 VanDerWaalsContact CE-CB 3.5Å; M252-A378 HydrophobicContact SD-CB 4.45Å
253S98.3Very high97.3Very high0 Ų024 Ų240%015%0.149CC..EExtended strand (participates in β ladder)trans-153.4165.9174.450.10000111.6M101 V102 K103 L104 A260 N337M101-S253 WeakPolarHBondContact CE-OG 3.48Å; V102-S253 PolarHBondContact O-N 3.38Å; V102-S253 VanDerWaalsContact O-N 3.08Å; K103-S253 WeakPolarHBondContact CA-O 3.45Å; K103-S253 WeakPolarHBondContact CD-OG 3.07Å; K103-S253 PolarHBondContact NZ-OG 3.02Å; L104-S253 PolarHBondContact N-O 3.22Å; S253-A260 VanDerWaalsContact CB-CB 3.45Å; S253-N337 WeakPolarHBondContact CB-OD1 3.35Å
254N97.2Very high97.2Very high35 Ų3523.1 Ų23.119%0.18715%0.145CC..EExtended strand (participates in β ladder)trans-69.9144.3172.8-60.58000111L104 D256 N257 N336L104-N254 WeakPolarHBondContact CD1-OD1 3.16Å; N254-D256 WeakPolarHBondContact CB-OD1 3.33Å; N254-D256 PolarHBondContact ND2-OD1 2.92Å; N254-D256 PolarHBondContact O-N 3.48Å; N254-N257 HydrophobicContact CB-CB 4.4Å; N254-N257 PolarHBondContact O-N 3.03Å; N254-N336 PolarHBondContact OD1-ND2 2.7Å
255I96Very high97.2Very high6 Ų620.1 Ų20.13%0.03112%0.117CC..THydrogen-bonded Turntrans-65.9-24.3173.3-164.657000112.8K103 L104 F129 T133K103-I255 HydrophobicContact CB-CB 4.29Å; K103-I255 HydrophobicContact CB-CD1 3.91Å; K103-I255 HydrophobicContact CD-CD1 4.14Å; K103-I255 HydrophobicContact CG-CD1 3.8Å; L104-I255 WeakPolarHBondContact O-CG2 3.49Å; L104-I255 PolarHBondContact O-N 3.46Å; F129-I255 HydrophobicContact CB-CG1 4.06Å; F129-I255 WeakPolarHBondContact CD1-O 3.4Å; T133-I255 HydrophobicContact CG2-CD1 4.46Å; T133-I255 VanDerWaalsContact OG1-CD1 3.3Å; T133-I255 WeakPolarHBondContact OG1-CD1 3.5Å
256D95.2Very high97.2Very high10 Ų1015.6 Ų15.65%0.0539%0.093CC..THydrogen-bonded Turntrans-88.40.5178.868.8-4.7000114.3K118 F129 N254 P400 V401 K402K118-D256 HydrophobicContact CD-CB 3.94Å; K118-D256 WeakPolarHBondContact CE-OD2 3.24Å; K118-D256 IonicContact NZ-OD2 2.69Å; K118-D256 PolarHBondContact NZ-OD2 3.5Å; F129-D256 HydrophobicContact CE1-CB 4.3Å; N254-D256 WeakPolarHBondContact CB-OD1 3.33Å; N254-D256 PolarHBondContact ND2-OD1 2.92Å; N254-D256 PolarHBondContact O-N 3.48Å; D256-P400 CarbonylContact O-C 3.14Å; D256-P400 WeakPolarHBondContact O-CA 3.26Å; D256-V401 PolarHBondContact O-N 3.12Å; D256-K402 VanDerWaalsContact CG-NZ 3.33Å; D256-K402 IonicContact OD1-NZ 3.87Å; D256-K402 PolarHBondContact OD1-NZ 2.81Å; D256-K402 WeakPolarHBondContact OD2-CD 3.42Å; D256-K402 WeakPolarHBondContact OD2-CE 3.43Å; D256-K402 IonicContact OD2-NZ 3.97Å; D256-K402 PolarHBondContact OD2-NZ 3.18Å
257N96.9Very high97.2Very high5 Ų513.6 Ų13.63%0.0277%0.073CC..BIsolated β-bridgetrans-94.4102.7169.1-176.56.4000109.7N254 G259 A260 N337 R397 L399N254-N257 HydrophobicContact CB-CB 4.4Å; N254-N257 PolarHBondContact O-N 3.03Å; N257-G259 VanDerWaalsContact C-N 3.28Å; N257-G259 PolarHBondContact O-N 2.85Å; N257-G259 PolarHBondContact OD1-N 3.01Å; N257-G259 VanDerWaalsContact OD1-N 3.09Å; N257-A260 HydrophobicContact CB-CB 4.12Å; N257-A260 PolarHBondContact O-N 3.09Å; N257-N337 PolarHBondContact ND2-OD1 3.43Å; N257-R397 PolarHBondContact ND2-O 2.75Å; N257-R397 PolarHBondContact OD1-O 3.37Å; N257-L399 PolarHBondContact OD1-N 3.4Å; N257-L399 PolarHBondContact OD1-O 2.96Å
258L95.4Very high97Very high8 Ų813.3 Ų13.34%0.0427%0.072CC..THydrogen-bonded Turntrans-75.1-19.3-178.5-65.8170.1000113V123 F129 L132 A260 L399 V401 V410 L422V123-L258 HydrophobicContact CG1-CD1 3.6Å; F129-L258 HydrophobicContact CD1-CD1 4.42Å; F129-L258 HydrophobicContact CD1-CD2 3.52Å; F129-L258 HydrophobicContact CD1-CG 3.97Å; F129-L258 HydrophobicContact CE1-CD1 3.98Å; F129-L258 HydrophobicContact CE1-CD2 3.93Å; F129-L258 HydrophobicContact CE1-CG 3.87Å; L132-L258 HydrophobicContact CD1-CD2 3.66Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-L399 HydrophobicContact CB-CD2 4.28Å; L258-L399 PolarHBondContact N-O 3.16Å; L258-V401 HydrophobicContact CD1-CG2 3.67Å; L258-V401 HydrophobicContact CG-CG2 4.36Å; L258-V410 HydrophobicContact CD1-CB 4.37Å; L258-V410 HydrophobicContact CD1-CG1 4.15Å; L258-V410 HydrophobicContact CD1-CG2 4.42Å; L258-L422 HydrophobicContact CB-CD1 4.23Å; L258-L422 HydrophobicContact CD1-CD1 3.55Å; L258-L422 HydrophobicContact CG-CD1 4.4Å
259G95.9Very high96.9Very high7 Ų710.3 Ų10.37%0.0726%0.058CC..THydrogen-bonded Turntrans-79.6-14.5175.900000113.5N257 T261 S396 R397N257-G259 VanDerWaalsContact C-N 3.28Å; N257-G259 PolarHBondContact O-N 2.85Å; N257-G259 PolarHBondContact OD1-N 3.01Å; N257-G259 VanDerWaalsContact OD1-N 3.09Å; G259-T261 PolarHBondContact O-N 3.3Å; G259-S396 VanDerWaalsContact CA-O 3.29Å; G259-S396 WeakPolarHBondContact CA-O 3.14Å; G259-R397 CarbonylContact C-O 3.6Å; G259-R397 WeakPolarHBondContact O-CA 3.47Å
260A97.5Very high96.7Very high0 Ų010.1 Ų10.10%06%0.057CC..  trans-79.767.4-17800000112.5K103 F251 S253 N257 L258 N337K103-A260 PolarHBondContact NZ-O 3.24Å; F251-A260 HydrophobicContact CZ-CB 4.15Å; S253-A260 VanDerWaalsContact CB-CB 3.45Å; N257-A260 HydrophobicContact CB-CB 4.12Å; N257-A260 PolarHBondContact O-N 3.09Å; L258-A260 VanDerWaalsContact C-N 3.33Å; A260-N337 VanDerWaalsContact CB-OD1 3.29Å; A260-N337 WeakPolarHBondContact CB-OD1 3.27Å
261T96.5Very high96.4Very high37 Ų3711.7 Ų11.723%0.2277%0.065CC..PPolyproline II helixtrans-88.2160.6173.362.50000110.9F251 G259 D263 R397F251-T261 VanDerWaalsContact CE1-O 3.29Å; F251-T261 WeakPolarHBondContact CE1-O 3.34Å; G259-T261 PolarHBondContact O-N 3.3Å; T261-D263 PolarHBondContact O-N 2.55Å; T261-R397 PolarHBondContact O-NH1 3.17Å; T261-R397 PolarHBondContact O-NH2 3.1Å; T261-R397 PolarHBondContact OG1-NH1 3.49Å
262V97.4Very high95.9Very high19 Ų1913.8 Ų13.812%0.1158%0.076CC..PPolyproline II helixtrans-64.6120.4172.5176.30000108.9L96 L99 M101 L140 F251 W339L96-V262 HydrophobicContact CD2-CG1 3.86Å; L99-V262 HydrophobicContact CD2-CB 4.4Å; L99-V262 HydrophobicContact CD2-CG1 3.52Å; L99-V262 HydrophobicContact CD2-CG2 3.94Å; M101-V262 HydrophobicContact SD-CG2 4.27Å; L140-V262 HydrophobicContact CD1-CB 3.77Å; L140-V262 HydrophobicContact CD1-CG1 4.32Å; L140-V262 HydrophobicContact CD1-CG2 4.06Å; F251-V262 HydrophobicContact CD1-CG2 4.32Å; V262-W339 HydrophobicContact CG1-CH2 4.5Å
263D97.4Very high95Very high12 Ų1221.5 Ų21.56%0.06411%0.11CC..PPolyproline II helixtrans-101118.4179.7-162.4-67.7000111Y80 T261 N265 I266 L267 W339 R397Y80-D263 WeakPolarHBondContact CE2-OD2 3.34Å; Y80-D263 VanDerWaalsContact CZ-OD2 3.3Å; Y80-D263 PolarHBondContact OH-OD1 3.45Å; Y80-D263 PolarHBondContact OH-OD2 2.83Å; T261-D263 PolarHBondContact O-N 2.55Å; D263-N265 VanDerWaalsContact C-N 3.33Å; D263-N265 PolarHBondContact O-N 3.47Å; D263-N265 WeakPolarHBondContact OD1-CA 3.18Å; D263-N265 VanDerWaalsContact OD1-CB 3.28Å; D263-N265 WeakPolarHBondContact OD1-CB 3.34Å; D263-N265 PolarHBondContact OD1-N 3.43Å; D263-I266 HydrophobicContact CB-CB 4.1Å; D263-I266 HydrophobicContact CB-CD1 3.83Å; D263-I266 HydrophobicContact CB-CG1 3.95Å; D263-I266 PolarHBondContact OD1-N 3.12Å; D263-I266 VanDerWaalsContact OD1-N 3.12Å; D263-L267 WeakPolarHBondContact O-CB 2.98Å; D263-L267 PolarHBondContact O-N 3.31Å; D263-W339 HydrophobicContact CB-CZ2 4.25Å; D263-R397 IonicContact OD2-CZ 2.73Å; D263-R397 IonicContact OD2-NE 3.53Å; D263-R397 IonicContact OD2-NH1 2.8Å
264L97Very high94.1Very high32 Ų3228.9 Ų28.917%0.16814%0.144CC..Hα-helixtrans-70.2-30.8-178.2-56.3-175.2000112.3P86 I92 L96 N268P86-L264 HydrophobicContact CG-CB 3.92Å; I92-L264 HydrophobicContact CD1-CD1 4.27Å; I92-L264 HydrophobicContact CG2-CD1 4Å; I92-L264 HydrophobicContact CG2-CD2 4.02Å; L96-L264 HydrophobicContact CD1-CD2 4.35Å; L96-L264 HydrophobicContact CD2-CD2 3.78Å; L96-L264 HydrophobicContact CG-CD2 4.25Å; L264-N268 WeakPolarHBondContact O-CB 3.36Å; L264-N268 PolarHBondContact O-N 2.8Å
265N96.9Very high93.3Very high24 Ų2430 Ų3013%0.12815%0.148CC..Hα-helixtrans-71.2-43-178.8-55.5-19.1000110Y80 L83 V85 P86 D263 F269Y80-N265 HydrophobicContact CE2-CB 4.4Å; Y80-N265 PolarHBondContact OH-ND2 2.73Å; Y80-N265 VanDerWaalsContact OH-ND2 3.16Å; L83-N265 HydrophobicContact CB-CB 4.06Å; L83-N265 HydrophobicContact CD1-CB 4.41Å; V85-N265 WeakPolarHBondContact CA-OD1 3.48Å; P86-N265 WeakPolarHBondContact CD-OD1 3.06Å; D263-N265 VanDerWaalsContact C-N 3.33Å; D263-N265 PolarHBondContact O-N 3.47Å; D263-N265 WeakPolarHBondContact OD1-CA 3.18Å; D263-N265 VanDerWaalsContact OD1-CB 3.28Å; D263-N265 WeakPolarHBondContact OD1-CB 3.34Å; D263-N265 PolarHBondContact OD1-N 3.43Å; N265-F269 WeakPolarHBondContact O-CB 3.45Å; N265-F269 PolarHBondContact O-N 3.35Å
266I96.9Very high92.5Very high0 Ų030.5 Ų30.50%015%0.15CC..Hα-helixtrans-65.6-48.8175.2-57.8175.7000109.8Y80 L83 D263 N268 F269 L270 E287 W339 V393Y80-I266 HydrophobicContact CD2-CD1 4.47Å; Y80-I266 HydrophobicContact CD2-CG1 4.34Å; Y80-I266 HydrophobicContact CE2-CD1 4.32Å; Y80-I266 HydrophobicContact CE2-CG1 4.13Å; L83-I266 HydrophobicContact CD1-CG1 3.8Å; D263-I266 HydrophobicContact CB-CB 4.1Å; D263-I266 HydrophobicContact CB-CD1 3.83Å; D263-I266 HydrophobicContact CB-CG1 3.95Å; D263-I266 PolarHBondContact OD1-N 3.12Å; D263-I266 VanDerWaalsContact OD1-N 3.12Å; I266-N268 VanDerWaalsContact C-N 3.27Å; I266-N268 PolarHBondContact O-N 3.11Å; I266-F269 WeakPolarHBondContact O-CB 3.39Å; I266-F269 PolarHBondContact O-N 3.24Å; I266-F269 VanDerWaalsContact O-N 3.08Å; I266-L270 HydrophobicContact CG2-CD1 4.14Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 VanDerWaalsContact O-CG 3.3Å; I266-L270 WeakPolarHBondContact O-CG 3.31Å; I266-L270 PolarHBondContact O-N 3.29Å; I266-E287 HydrophobicContact CD1-CG 4.01Å; I266-E287 WeakPolarHBondContact CD1-OE1 3.41Å; I266-W339 HydrophobicContact CB-CZ2 4.14Å; I266-W339 HydrophobicContact CG2-CD2 4.01Å; I266-W339 HydrophobicContact CG2-CG 4.21Å; I266-W339 HydrophobicContact CG2-CZ2 4.07Å; I266-V393 HydrophobicContact CD1-CG1 3.99Å
267L96.5Very high91.3Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-57.7-41.7179.2-17560.9000112.3Q95 L96 L99 D263 L270 M271 W339Q95-L267 HydrophobicContact CB-CD2 3.85Å; Q95-L267 HydrophobicContact CB-CG 4.08Å; L96-L267 HydrophobicContact CD2-CD2 3.86Å; L96-L267 HydrophobicContact CG-CD2 4.43Å; L99-L267 HydrophobicContact CD1-CD1 4.26Å; L99-L267 HydrophobicContact CD2-CD2 4.33Å; D263-L267 WeakPolarHBondContact O-CB 2.98Å; D263-L267 PolarHBondContact O-N 3.31Å; L267-L270 PolarHBondContact O-N 3.19Å; L267-M271 HydrophobicContact CD1-CE 3.42Å; L267-M271 VanDerWaalsContact CD1-CE 3.42Å; L267-M271 HydrophobicContact CD1-CG 4.34Å; L267-M271 HydrophobicContact CD1-SD 4.05Å; L267-M271 HydrophobicContact CG-CE 4.24Å; L267-M271 HydrophobicContact CG-SD 4.32Å; L267-M271 PolarHBondContact O-N 3.16Å; L267-M271 VanDerWaalsContact O-N 3.08Å; L267-W339 HydrophobicContact CB-CH2 4.46Å; L267-W339 HydrophobicContact CB-CZ3 4.25Å; L267-W339 HydrophobicContact CD1-CZ3 4.02Å
268N95.4Very high90Very high7 Ų739.4 Ų39.44%0.03723%0.225CC..Hα-helixtrans-65.4-40.3176.6-177.650.4000112.3H84 P86 Q95 L264 I266 L270 M271 N272H84-N268 PolarHBondContact CD2-ND2 2.98Å; H84-N268 PolarHBondContact O-ND2 3.37Å; P86-N268 HydrophobicContact CB-CB 4.24Å; P86-N268 HydrophobicContact CG-CB 4.04Å; Q95-N268 PolarHBondContact NE2-OD1 3.36Å; L264-N268 WeakPolarHBondContact O-CB 3.36Å; L264-N268 PolarHBondContact O-N 2.8Å; I266-N268 VanDerWaalsContact C-N 3.27Å; I266-N268 PolarHBondContact O-N 3.11Å; N268-L270 VanDerWaalsContact C-N 3.3Å; N268-L270 PolarHBondContact O-N 3.29Å; N268-M271 PolarHBondContact O-N 2.82Å; N268-N272 VanDerWaalsContact O-CB 3.31Å; N268-N272 WeakPolarHBondContact O-CB 3.48Å; N268-N272 PolarHBondContact O-N 2.81Å
269F94.4Very high89Confident5 Ų546 Ų462%0.02225%0.254CS..Hα-helixtrans-59.7-39.5173.2168.9-106.9000112.7K78 L83 N265 I266 F275 H276 F389K78-F269 HydrophobicContact CD-CE2 4.12Å; L83-F269 HydrophobicContact CD2-CB 3.99Å; L83-F269 HydrophobicContact CD2-CD1 4.43Å; L83-F269 HydrophobicContact CD2-CD2 4.06Å; L83-F269 HydrophobicContact CD2-CG 3.89Å; N265-F269 WeakPolarHBondContact O-CB 3.45Å; N265-F269 PolarHBondContact O-N 3.35Å; I266-F269 WeakPolarHBondContact O-CB 3.39Å; I266-F269 PolarHBondContact O-N 3.24Å; I266-F269 VanDerWaalsContact O-N 3.08Å; F269-F275 HydrophobicContact CD2-CB 4.09Å; F269-F275 HydrophobicContact CE2-CB 4.39Å; F269-H276 AromaticContact CE2-CE1 3.86Å; F269-H276 AromaticContact CZ-CE1 3.9Å; F269-H276 PolarHBondContact O-CE1 3.04Å; F269-H276 VanDerWaalsContact O-CE1 3.26Å; F269-H276 PolarHBondContact O-NE2 2.96Å; F269-F389 HydrophobicContact CE1-CD1 4.07Å; F269-F389 HydrophobicContact CE1-CE1 4.33Å; F269-F389 HydrophobicContact CZ-CD1 4.05Å; F269-F389 AromaticContact CZ-CE1 3.93Å; F269-F389 HydrophobicContact CZ-CE1 3.93Å; F269-F389 HydrophobicContact CZ-CZ 4.33Å
270L93.9Very high88.1Confident6 Ų651.4 Ų51.43%0.03128%0.277CS..Hα-helixtrans-71.7-36.6-179.8-63.6172.7000113.1W249 I266 L267 N268 P282 V285 W339W249-L270 HydrophobicContact CD2-CB 4.29Å; W249-L270 HydrophobicContact CD2-CD1 4.08Å; W249-L270 HydrophobicContact CE3-CD1 3.86Å; W249-L270 HydrophobicContact CH2-CB 4.23Å; W249-L270 HydrophobicContact CH2-CD1 4.33Å; W249-L270 HydrophobicContact CH2-CD2 3.7Å; W249-L270 HydrophobicContact CH2-CG 4.29Å; W249-L270 HydrophobicContact CZ2-CB 3.79Å; W249-L270 HydrophobicContact CZ2-CD2 4.11Å; W249-L270 HydrophobicContact CZ2-CG 4.35Å; W249-L270 HydrophobicContact CZ3-CD1 3.99Å; W249-L270 HydrophobicContact CZ3-CD2 4.01Å; W249-L270 HydrophobicContact CZ3-CG 4.44Å; I266-L270 HydrophobicContact CG2-CD1 4.14Å; I266-L270 HydrophobicContact CG2-CG 4.37Å; I266-L270 VanDerWaalsContact O-CG 3.3Å; I266-L270 WeakPolarHBondContact O-CG 3.31Å; I266-L270 PolarHBondContact O-N 3.29Å; L267-L270 PolarHBondContact O-N 3.19Å; N268-L270 VanDerWaalsContact C-N 3.3Å; N268-L270 PolarHBondContact O-N 3.29Å; L270-P282 HydrophobicContact CD2-CG 4.09Å; L270-V285 HydrophobicContact CD2-CB 3.95Å; L270-V285 HydrophobicContact CD2-CG2 3.27Å; L270-W339 HydrophobicContact CD1-CB 3.59Å; L270-W339 HydrophobicContact CD1-CD2 3.78Å; L270-W339 HydrophobicContact CD1-CE3 3.61Å; L270-W339 HydrophobicContact CD1-CG 3.81Å
271M92.3Very high87.6Confident32 Ų3253.5 Ų53.516%0.15829%0.292CS..Hα-helixtrans-93.2-24.5-172.3-69.2-169.3178.600113.9Q95 K98 W249 L267 N268 K273Q95-M271 VanDerWaalsContact CA-SD 3.52Å; Q95-M271 HydrophobicContact CB-SD 3.62Å; Q95-M271 HydrophobicContact CG-CB 4.28Å; Q95-M271 HydrophobicContact CG-SD 3.63Å; Q95-M271 WeakPolarHBondContact O-CE 3.38Å; K98-M271 HydrophobicContact CB-CE 3.46Å; K98-M271 VanDerWaalsContact CB-CE 3.46Å; K98-M271 HydrophobicContact CB-SD 4.23Å; K98-M271 HydrophobicContact CD-CE 4.29Å; K98-M271 HydrophobicContact CD-SD 4.06Å; W249-M271 HydrophobicContact CB-CE 4.22Å; W249-M271 VanDerWaalsContact CD1-CE 3.42Å; W249-M271 HydrophobicContact CG-CE 4.09Å; L267-M271 HydrophobicContact CD1-CE 3.42Å; L267-M271 VanDerWaalsContact CD1-CE 3.42Å; L267-M271 HydrophobicContact CD1-CG 4.34Å; L267-M271 HydrophobicContact CD1-SD 4.05Å; L267-M271 HydrophobicContact CG-CE 4.24Å; L267-M271 HydrophobicContact CG-SD 4.32Å; L267-M271 PolarHBondContact O-N 3.16Å; L267-M271 VanDerWaalsContact O-N 3.08Å; N268-M271 PolarHBondContact O-N 2.82Å; M271-K273 PolarHBondContact O-N 3.04Å
272N88.1Confident87.4Confident44 Ų4452 Ų5224%0.23528%0.282CS..  trans-90.4103.9-179.5-174.3-6.4000111.2N268 E274 F275N268-N272 VanDerWaalsContact O-CB 3.31Å; N268-N272 WeakPolarHBondContact O-CB 3.48Å; N268-N272 PolarHBondContact O-N 2.81Å; N272-E274 PolarHBondContact O-N 3.46Å; N272-E274 VanDerWaalsContact O-N 3.14Å; N272-E274 WeakPolarHBondContact OD1-CB 3.45Å; N272-E274 WeakPolarHBondContact OD1-CG 3.22Å; N272-E274 PolarHBondContact OD1-N 3.3Å; N272-F275 HydrophobicContact CB-CD2 3.56Å; N272-F275 HydrophobicContact CB-CE2 3.53Å; N272-F275 HydrophobicContact CB-CZ 4.49Å; N272-F275 PolarHBondContact O-N 3.32Å; N272-F275 VanDerWaalsContact O-N 3.16Å
273K79.9Confident87.3Confident163 Ų16352.1 Ų52.171%0.70928%0.282SS*.G310 helixtrans-59.1-25.2-178.4-64.9-172.9178.5-176.30114.2M271 F275 H276M271-K273 PolarHBondContact O-N 3.04Å; K273-F275 PolarHBondContact O-N 2.92Å; K273-H276 PolarHBondContact O-N 3.24Å; K273-H276 VanDerWaalsContact O-N 3.1Å
274E80.4Confident87.3Confident155 Ų15551.5 Ų51.572%0.72428%0.279SS*.G310 helixtrans-61.8-32.9179.5-63.5178.7168.600111.6N272 H276 C277N272-E274 PolarHBondContact O-N 3.46Å; N272-E274 VanDerWaalsContact O-N 3.14Å; N272-E274 WeakPolarHBondContact OD1-CB 3.45Å; N272-E274 WeakPolarHBondContact OD1-CG 3.22Å; N272-E274 PolarHBondContact OD1-N 3.3Å; E274-H276 PolarHBondContact O-N 3.01Å; E274-H276 VanDerWaalsContact O-N 3.12Å; E274-C277 PolarHBondContact O-N 3.25Å
275F79.6Confident87.3Confident58 Ų5850 Ų5025%0.25427%0.271SS..G310 helixtrans-69.1-9.9178.5-61.3-45.8000114.2H84 F269 N272 K273H84-F275 HydrophobicContact CB-CE1 3.92Å; H84-F275 HydrophobicContact CB-CE2 4.19Å; H84-F275 HydrophobicContact CB-CZ 3.45Å; H84-F275 VanDerWaalsContact CB-CZ 3.45Å; H84-F275 AromaticContact CG-CZ 3.83Å; F269-F275 HydrophobicContact CD2-CB 4.09Å; F269-F275 HydrophobicContact CE2-CB 4.39Å; N272-F275 HydrophobicContact CB-CD2 3.56Å; N272-F275 HydrophobicContact CB-CE2 3.53Å; N272-F275 HydrophobicContact CB-CZ 4.49Å; N272-F275 PolarHBondContact O-N 3.32Å; N272-F275 VanDerWaalsContact O-N 3.16Å; K273-F275 PolarHBondContact O-N 2.92Å
276H78.7Confident87.4Confident17 Ų1748.9 Ų48.98%0.07927%0.265CS..G310 helixtrans-97.80.1179-53.1-48.6000112.9F269 K273 E274 G278 K279 S281 P282F269-H276 AromaticContact CE2-CE1 3.86Å; F269-H276 AromaticContact CZ-CE1 3.9Å; F269-H276 PolarHBondContact O-CE1 3.04Å; F269-H276 VanDerWaalsContact O-CE1 3.26Å; F269-H276 PolarHBondContact O-NE2 2.96Å; K273-H276 PolarHBondContact O-N 3.24Å; K273-H276 VanDerWaalsContact O-N 3.1Å; E274-H276 PolarHBondContact O-N 3.01Å; E274-H276 VanDerWaalsContact O-N 3.12Å; H276-G278 PolarHBondContact O-N 3.35Å; H276-G278 VanDerWaalsContact O-N 3.08Å; H276-K279 WeakPolarHBondContact O-CA 3.34Å; H276-K279 WeakPolarHBondContact O-CB 3.46Å; H276-K279 PolarHBondContact O-N 3.02Å; H276-S281 PolarHBondContact CD2-OG 3.2Å; H276-P282 WeakPolarHBondContact CE1-CD 3.43Å; H276-P282 WeakPolarHBondContact NE2-CD 3.3Å
277C70.5Confident87.5Confident115 Ų11548.9 Ų48.978%0.77727%0.265SS*.THydrogen-bonded Turntrans47.440.9171.9-59.90000114.3E274 K279E274-C277 PolarHBondContact O-N 3.25Å; C277-K279 PolarHBondContact O-N 2.83Å
278G70.3Confident87.5Confident86 Ų8648.9 Ų48.989%0.88727%0.265SS*.THydrogen-bonded Turntrans77.3-3.6-177.700000115.4H276H276-G278 PolarHBondContact O-N 3.35Å; H276-G278 VanDerWaalsContact O-N 3.08Å
279K74.2Confident87.5Confident147 Ų14748.7 Ų48.764%0.63926%0.264SS*.SBendtrans-71.6159.4166.3-58.9-176.9176.9-177.10110.1H276 C277 S281H276-K279 WeakPolarHBondContact O-CA 3.34Å; H276-K279 WeakPolarHBondContact O-CB 3.46Å; H276-K279 PolarHBondContact O-N 3.02Å; C277-K279 PolarHBondContact O-N 2.83Å; K279-S281 PolarHBondContact O-N 3.47Å
280Q77.3Confident87.5Confident120 Ų12052.9 Ų52.956%0.56129%0.286SS*.PPolyproline II helixtrans-58.3129.9173.3-174.3167.37.100110.2
281S85.8Confident87.4Confident44 Ų4453.5 Ų53.531%0.30829%0.289SS..PPolyproline II helixtrans-61.8141173.2-52.60000109.8H276 K279 E283H276-S281 PolarHBondContact CD2-OG 3.2Å; K279-S281 PolarHBondContact O-N 3.47Å; S281-E283 PolarHBondContact O-N 2.94Å
282P93Very high87.1Confident5 Ų554.7 Ų54.73%0.03230%0.298CS..PPolyproline II helixtrans-64.1137.4-179.128.2-34.5000110.1W249 L270 H276 V285 G387 F389W249-P282 WeakPolarHBondContact CH2-O 3.41Å; L270-P282 HydrophobicContact CD2-CG 4.09Å; H276-P282 WeakPolarHBondContact CE1-CD 3.43Å; H276-P282 WeakPolarHBondContact NE2-CD 3.3Å; P282-V285 HydrophobicContact CB-CG2 3.75Å; P282-V285 HydrophobicContact CG-CG2 3.91Å; P282-G387 WeakPolarHBondContact CA-O 3.46Å; P282-G387 WeakPolarHBondContact CB-O 3.42Å; P282-F389 HydrophobicContact CB-CB 4.06Å
283E95.7Very high86.8Confident22 Ų2263.9 Ų63.910%0.10333%0.33CS..SBendtrans-93.4-14.5170.5-65.1176.2168.300111.9S281 D341 A344 R347 F385 N386S281-E283 PolarHBondContact O-N 2.94Å; E283-D341 HydrophobicContact CB-CB 4.32Å; E283-D341 PolarHBondContact O-N 2.85Å; E283-A344 HydrophobicContact CB-CB 3.75Å; E283-A344 HydrophobicContact CG-CB 3.85Å; E283-R347 IonicContact OE1-CZ 3.45Å; E283-R347 IonicContact OE1-NH1 3.47Å; E283-R347 IonicContact OE1-NH2 2.65Å; E283-R347 PolarHBondContact OE1-NH2 3.18Å; E283-R347 IonicContact OE2-NH2 3.41Å; E283-R347 PolarHBondContact OE2-NH2 3.36Å; E283-F385 HydrophobicContact CB-CB 4.11Å; E283-F385 HydrophobicContact CB-CD1 3.94Å; E283-N386 WeakPolarHBondContact CB-O 3.43Å; E283-N386 HydrophobicContact CG-CB 4.41Å; E283-N386 PolarHBondContact N-O 3.24Å; E283-N386 PolarHBondContact OE1-ND2 3.16Å; E283-N386 WeakPolarHBondContact OE2-CB 3.14Å; E283-N386 PolarHBondContact OE2-N 3.39Å; E283-N386 PolarHBondContact OE2-ND2 3.46Å; E283-N386 VanDerWaalsContact OE2-ND2 3.09Å
284F97.3Very high86.9Confident0 Ų060.3 Ų60.30%033%0.33CS..EExtended strand (participates in β ladder)trans-147.8127-178.8-165.5-73.3000110.6Y230 M286 L338 W339 I340 I382 F385 A388 F389Y230-F284 VanDerWaalsContact OH-CE2 3.3Å; Y230-F284 WeakPolarHBondContact OH-CE2 3.35Å; F284-M286 HydrophobicContact CE1-CB 4.27Å; F284-M286 HydrophobicContact CE1-CE 4.35Å; F284-L338 HydrophobicContact CE1-CD2 3.98Å; F284-L338 HydrophobicContact CZ-CB 4.2Å; F284-L338 HydrophobicContact CZ-CD1 3.9Å; F284-L338 HydrophobicContact CZ-CD2 4.06Å; F284-L338 HydrophobicContact CZ-CG 4.26Å; F284-W339 CarbonylContact C-O 3.58Å; F284-W339 WeakPolarHBondContact CA-O 3.47Å; F284-I340 HydrophobicContact CD2-CB 4.49Å; F284-I340 HydrophobicContact CD2-CG1 3.81Å; F284-I340 HydrophobicContact CD2-CG2 4.2Å; F284-I340 HydrophobicContact CE2-CD1 4.16Å; F284-I340 HydrophobicContact CE2-CG1 3.63Å; F284-I340 HydrophobicContact CZ-CG1 4.33Å; F284-I382 HydrophobicContact CD1-CB 3.85Å; F284-I382 HydrophobicContact CD1-CD1 3.69Å; F284-I382 HydrophobicContact CD1-CG1 3.48Å; F284-I382 VanDerWaalsContact CD1-CG1 3.48Å; F284-I382 HydrophobicContact CE1-CB 3.81Å; F284-I382 HydrophobicContact CE1-CD1 3.94Å; F284-I382 HydrophobicContact CE1-CG1 3.89Å; F284-I382 HydrophobicContact CG-CB 4.42Å; F284-I382 HydrophobicContact CG-CG1 4.13Å; F284-I382 HydrophobicContact CZ-CB 4.34Å; F284-F385 HydrophobicContact CB-CB 3.55Å; F284-F385 HydrophobicContact CB-CD1 4.31Å; F284-F385 HydrophobicContact CB-CD2 4.01Å; F284-F385 HydrophobicContact CB-CG 3.71Å; F284-F385 HydrophobicContact CD2-CD1 4.48Å; F284-F385 AromaticContact CD2-CD2 3.46Å; F284-F385 HydrophobicContact CD2-CD2 3.46Å; F284-F385 VanDerWaalsContact CD2-CD2 3.46Å; F284-F385 AromaticContact CD2-CE2 3.58Å; F284-F385 HydrophobicContact CD2-CE2 3.58Å; F284-F385 AromaticContact CD2-CG 3.95Å; F284-F385 HydrophobicContact CD2-CG 3.95Å; F284-F385 HydrophobicContact CD2-CZ 4.15Å; F284-F385 HydrophobicContact CE2-CD2 4.24Å; F284-F385 HydrophobicContact CE2-CE2 4.05Å; F284-F385 HydrophobicContact CG-CB 4.44Å; F284-F385 HydrophobicContact CG-CD2 4.06Å; F284-F385 HydrophobicContact CG-CG 4.26Å; F284-A388 CarbonylContact O-C 3.59Å; F284-A388 WeakPolarHBondContact O-CA 3.41Å; F284-F389 PolarHBondContact O-N 3.41Å
285V97.4Very high87.1Confident0 Ų054 Ų540%030%0.302CS..EExtended strand (participates in β ladder)trans-125.8127.2175.1-179.90000110.8L270 P282 W339 F389 V391L270-V285 HydrophobicContact CD2-CB 3.95Å; L270-V285 HydrophobicContact CD2-CG2 3.27Å; P282-V285 HydrophobicContact CB-CG2 3.75Å; P282-V285 HydrophobicContact CG-CG2 3.91Å; V285-W339 HydrophobicContact CB-CB 4.2Å; V285-W339 PolarHBondContact N-O 3.25Å; V285-W339 PolarHBondContact O-N 3.05Å; V285-F389 VanDerWaalsContact CA-O 3.27Å; V285-F389 WeakPolarHBondContact CA-O 3.46Å; V285-F389 HydrophobicContact CG2-CB 3.87Å; V285-V391 HydrophobicContact CG1-CB 4.42Å; V285-V391 HydrophobicContact CG1-CG2 3.63Å
286M97.9Very high87.2Confident0 Ų053.2 Ų53.20%030%0.301CS..EExtended strand (participates in β ladder)trans-105.2122.7175.9-179.3177.5-7100109.4F284 V288 L301 L310 N334 L338 G379 I382 F389 G390 V391F284-M286 HydrophobicContact CE1-CB 4.27Å; F284-M286 HydrophobicContact CE1-CE 4.35Å; M286-V288 HydrophobicContact CG-CG1 4.11Å; M286-V288 PolarHBondContact O-N 3.49Å; M286-V288 HydrophobicContact SD-CG1 4.31Å; M286-L301 HydrophobicContact SD-CD1 4.31Å; M286-L310 HydrophobicContact CE-CB 4.4Å; M286-L310 HydrophobicContact CE-CD1 4.35Å; M286-L310 HydrophobicContact CE-CD2 4.29Å; M286-L310 HydrophobicContact SD-CD1 4.23Å; M286-N334 WeakPolarHBondContact CG-OD1 3.36Å; M286-N334 HydrophobicContact SD-CB 3.8Å; M286-N334 VanDerWaalsContact SD-CG 3.54Å; M286-N334 PolarHBondContact SD-OD1 2.84Å; M286-N334 VanDerWaalsContact SD-OD1 3.39Å; M286-L338 HydrophobicContact CB-CD2 4Å; M286-L338 HydrophobicContact CE-CD2 3.93Å; M286-L338 HydrophobicContact CG-CD2 3.74Å; M286-G379 WeakPolarHBondContact CE-O 3.27Å; M286-I382 HydrophobicContact CB-CD1 3.97Å; M286-I382 HydrophobicContact CE-CD1 4.27Å; M286-F389 PolarHBondContact N-O 3.07Å; M286-G390 WeakPolarHBondContact O-CA 3.44Å; M286-V391 PolarHBondContact O-N 3.28Å
287E98.4Very high87.3Confident0 Ų060.1 Ų60.10%033%0.331CS..EExtended strand (participates in β ladder)trans-73.5124.3166.9-63178.6-153.300109I266 T335 N337 W339 V391 V393 R397I266-E287 HydrophobicContact CD1-CG 4.01Å; I266-E287 WeakPolarHBondContact CD1-OE1 3.41Å; E287-T335 WeakPolarHBondContact CB-OG1 3.5Å; E287-T335 WeakPolarHBondContact O-CB 3.41Å; E287-T335 WeakPolarHBondContact O-CG2 3.22Å; E287-T335 PolarHBondContact O-N 2.92Å; E287-T335 VanDerWaalsContact O-N 3.12Å; E287-T335 PolarHBondContact O-OG1 3.32Å; E287-N337 HydrophobicContact CB-CB 3.92Å; E287-N337 VanDerWaalsContact CD-CB 3.49Å; E287-N337 HydrophobicContact CG-CB 4.01Å; E287-N337 PolarHBondContact N-O 3.16Å; E287-N337 WeakPolarHBondContact OE2-CB 3.37Å; E287-N337 PolarHBondContact OE2-ND2 3.23Å; E287-W339 PolarHBondContact OE1-NE1 3.33Å; E287-V391 WeakPolarHBondContact CA-O 3.26Å; E287-V393 HydrophobicContact CB-CG1 4.04Å; E287-V393 HydrophobicContact CB-CG2 3.9Å; E287-V393 HydrophobicContact CG-CG1 3.87Å; E287-R397 IonicContact OE1-CZ 2.7Å; E287-R397 IonicContact OE1-NE 3.39Å; E287-R397 PolarHBondContact OE1-NE 3.2Å; E287-R397 IonicContact OE1-NH2 3.53Å; E287-R397 PolarHBondContact OE1-NH2 3.41Å; E287-R397 IonicContact OE2-CZ 2.7Å; E287-R397 IonicContact OE2-NE 3.9Å; E287-R397 PolarHBondContact OE2-NE 3.23Å; E287-R397 IonicContact OE2-NH2 3.71Å; E287-R397 PolarHBondContact OE2-NH2 3.46Å
288V97.4Very high88Confident0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-114.3155.4173.7-61.80000108.7M286 L301 I332 F333 V391 N392 V393M286-V288 HydrophobicContact CG-CG1 4.11Å; M286-V288 PolarHBondContact O-N 3.49Å; M286-V288 HydrophobicContact SD-CG1 4.31Å; V288-L301 HydrophobicContact CG1-CB 4.46Å; V288-I332 HydrophobicContact CB-CB 4.19Å; V288-I332 HydrophobicContact CB-CD1 4.12Å; V288-I332 HydrophobicContact CG1-CD1 4.25Å; V288-I332 HydrophobicContact CG2-CB 4.22Å; V288-I332 HydrophobicContact CG2-CD1 3.8Å; V288-I332 HydrophobicContact CG2-CG2 4.35Å; V288-F333 CarbonylContact C-O 3.45Å; V288-F333 WeakPolarHBondContact CA-O 3.19Å; V288-F333 WeakPolarHBondContact CB-O 3.42Å; V288-V391 PolarHBondContact N-O 3Å; V288-N392 HydrophobicContact CG2-CB 4.17Å; V288-N392 CarbonylContact O-C 3.58Å; V288-N392 VanDerWaalsContact O-CA 3.3Å; V288-N392 WeakPolarHBondContact O-CA 3.28Å; V288-N392 PolarHBondContact O-OD1 3.33Å; V288-V393 WeakPolarHBondContact O-CG2 3.45Å; V288-V393 PolarHBondContact O-N 3.37Å
289T96.3Very high88.9Confident4 Ų451.8 Ų51.83%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-139.3162.5174.1-1630000109.9K291 I332 F333 T335 V393 F398T289-K291 PolarHBondContact O-N 2.81Å; T289-I332 CarbonylContact O-C 3.57Å; T289-I332 WeakPolarHBondContact O-CA 3.37Å; T289-F333 HydrophobicContact CG2-CD1 3.94Å; T289-F333 HydrophobicContact CG2-CE1 3.2Å; T289-F333 HydrophobicContact CG2-CE2 4.4Å; T289-F333 HydrophobicContact CG2-CZ 3.47Å; T289-F333 VanDerWaalsContact CG2-CZ 3.47Å; T289-F333 PolarHBondContact N-O 3.18Å; T289-F333 VanDerWaalsContact O-CD1 3.23Å; T289-F333 WeakPolarHBondContact O-CD1 3.44Å; T289-F333 PolarHBondContact O-N 3.09Å; T289-T335 HydrophobicContact CG2-CG2 3.75Å; T289-V393 WeakPolarHBondContact CB-O 3.48Å; T289-V393 PolarHBondContact OG1-O 3.25Å; T289-F398 HydrophobicContact CG2-CB 4.24Å; T289-F398 HydrophobicContact CG2-CG 4.43Å
290D94Very high89.9Confident92 Ų9244.8 Ų44.849%0.49223%0.234SC..EExtended strand (participates in β ladder)trans-64.3133.5-176.5-64.1-28.2000111.6T292 K331 N392D290-T292 PolarHBondContact O-N 3.02Å; D290-K331 WeakPolarHBondContact CA-O 3.16Å; D290-N392 PolarHBondContact OD1-ND2 3.12Å
291K90.8Very high90.7Very high20 Ų2039.3 Ų39.39%0.08721%0.209CC..  trans-67.4130.7177-79.5-166.1-177.9-177.30110.2T289 G298 V327 F330 K331 I332 F333T289-K291 PolarHBondContact O-N 2.81Å; K291-G298 PolarHBondContact NZ-O 3.32Å; K291-V327 HydrophobicContact CB-CG1 4.01Å; K291-F330 WeakPolarHBondContact CD-O 3.43Å; K291-K331 PolarHBondContact N-O 3.19Å; K291-I332 VanDerWaalsContact CE-O 3.26Å; K291-I332 WeakPolarHBondContact CE-O 3.39Å; K291-F333 HydrophobicContact CB-CD1 4.43Å; K291-F333 HydrophobicContact CD-CB 4.34Å; K291-F333 HydrophobicContact CG-CB 3.75Å; K291-F333 HydrophobicContact CG-CD1 3.79Å; K291-F333 HydrophobicContact CG-CG 4.15Å
292T86.8Confident91.1Very high57 Ų5737.2 Ų37.235%0.3519%0.194SC..  trans-99.1175.1162.475.70000110D290 A294 D295D290-T292 PolarHBondContact O-N 3.02Å; T292-A294 PolarHBondContact O-N 2.97Å; T292-A294 VanDerWaalsContact O-N 3.09Å; T292-A294 PolarHBondContact OG1-N 3.16Å; T292-D295 WeakPolarHBondContact CA-OD2 3.33Å; T292-D295 VanDerWaalsContact CB-OD2 3.31Å; T292-D295 WeakPolarHBondContact CB-OD2 3.28Å; T292-D295 PolarHBondContact N-OD2 3.47Å; T292-D295 PolarHBondContact O-N 3.38Å; T292-D295 PolarHBondContact OG1-OD2 2.9Å
293R81.9Confident91.1Very high237 Ų23738.7 Ų38.789%0.89420%0.201SC*.THydrogen-bonded Turntrans-58.1-22.4173.9-65.5-176.2-178.1-175.90.7113.3
294A80.5Confident90.9Very high87 Ų8738.8 Ų38.872%0.71920%0.2SC*.THydrogen-bonded Turntrans-79.8-19.1177.200000113.3T292T292-A294 PolarHBondContact O-N 2.97Å; T292-A294 VanDerWaalsContact O-N 3.09Å; T292-A294 PolarHBondContact OG1-N 3.16Å
295D84.4Confident90.4Very high24 Ų2446.1 Ų46.113%0.12823%0.228CC..  trans-107.610.6-170.1-40.9-68.1000113T292 K297 G298 F333 R395T292-D295 WeakPolarHBondContact CA-OD2 3.33Å; T292-D295 VanDerWaalsContact CB-OD2 3.31Å; T292-D295 WeakPolarHBondContact CB-OD2 3.28Å; T292-D295 PolarHBondContact N-OD2 3.47Å; T292-D295 PolarHBondContact O-N 3.38Å; T292-D295 PolarHBondContact OG1-OD2 2.9Å; D295-K297 PolarHBondContact O-N 2.94Å; D295-G298 PolarHBondContact O-N 3.09Å; D295-F333 HydrophobicContact CB-CD1 3.99Å; D295-F333 HydrophobicContact CB-CD2 4.44Å; D295-F333 HydrophobicContact CB-CE1 3.88Å; D295-F333 HydrophobicContact CB-CE2 4.37Å; D295-F333 HydrophobicContact CB-CG 4.26Å; D295-F333 HydrophobicContact CB-CZ 4.09Å; D295-R395 IonicContact OD1-NH2 3.52Å; D295-R395 IonicContact OD2-CZ 3.96Å; D295-R395 IonicContact OD2-NH1 2.84Å; D295-R395 IonicContact OD2-NH2 3.42Å; D295-R395 PolarHBondContact OD2-NH2 3.47Å
296V82.2Confident90Very high40 Ų4048.7 Ų48.724%0.24225%0.254CS..THydrogen-bonded Turntrans-56.2-26.8-175.8-66.80000113.6V327V296-V327 HydrophobicContact CG1-CG1 3.93Å
297K80.3Confident89.6Confident162 Ų16254 Ų5470%0.70428%0.279SS*.THydrogen-bonded Turntrans-86.6-8.8178.3-58.9-173.5179.2-174.70114.2D295D295-K297 PolarHBondContact O-N 2.94Å
298G85.8Confident89.4Confident22 Ų2254.5 Ų54.523%0.22728%0.282CS..SBendtrans-73.3141.6-17800000112.1K291 D295K291-G298 PolarHBondContact NZ-O 3.32Å; D295-G298 PolarHBondContact O-N 3.09Å
299G90.5Very high89.2Confident4 Ų456 Ų564%0.04129%0.287CS..  trans-54.8142.9174.100000112.7L311 E312 F333 N334G299-L311 CarbonylContact C-O 3.53Å; G299-L311 WeakPolarHBondContact CA-O 3.25Å; G299-E312 VanDerWaalsContact CA-OE2 3.25Å; G299-E312 WeakPolarHBondContact CA-OE2 3.48Å; G299-E312 PolarHBondContact N-OE2 2.85Å; G299-F333 VanDerWaalsContact O-CA 3.3Å; G299-F333 WeakPolarHBondContact O-CA 3.36Å; G299-F333 WeakPolarHBondContact O-CB 3.33Å; G299-N334 PolarHBondContact O-N 2.92Å
300T93.9Very high89.1Confident1 Ų155.9 Ų55.91%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-122.2155-178.4-163.80000110.8T302 L311 F324 F330 I332T300-T302 HydrophobicContact CG2-CG2 3.92Å; T300-L311 HydrophobicContact CG2-CB 4.42Å; T300-L311 PolarHBondContact N-O 2.95Å; T300-L311 PolarHBondContact O-N 2.84Å; T300-F324 HydrophobicContact CG2-CD2 4.48Å; T300-F324 HydrophobicContact CG2-CE2 3.72Å; T300-F324 HydrophobicContact CG2-CZ 4.38Å; T300-F330 HydrophobicContact CG2-CB 4.14Å; T300-F330 HydrophobicContact CG2-CD1 3.43Å; T300-F330 VanDerWaalsContact CG2-CD1 3.43Å; T300-F330 HydrophobicContact CG2-CE1 4.01Å; T300-F330 HydrophobicContact CG2-CG 3.89Å; T300-I332 WeakPolarHBondContact CB-O 3.4Å; T300-I332 PolarHBondContact OG1-O 3.38Å
301L94.4Very high89Confident4 Ų451.5 Ų51.52%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-82.3135.4175.1-165.465.1000108.7V72 I77 M286 V288 L308 I332 I382V72-L301 HydrophobicContact CG2-CB 4.08Å; V72-L301 HydrophobicContact CG2-CD2 4.47Å; V72-L301 HydrophobicContact CG2-CG 4.03Å; V72-L301 WeakPolarHBondContact CG2-O 3.27Å; I77-L301 HydrophobicContact CD1-CD2 4.47Å; I77-L301 HydrophobicContact CG1-CD2 4.43Å; M286-L301 HydrophobicContact SD-CD1 4.31Å; V288-L301 HydrophobicContact CG1-CB 4.46Å; L301-L308 HydrophobicContact CD1-CB 4.28Å; L301-L308 HydrophobicContact CD2-CD1 4.31Å; L301-I332 HydrophobicContact CB-CD1 4.21Å; L301-I382 HydrophobicContact CD1-CD1 3.91Å; L301-I382 HydrophobicContact CD1-CG2 4.46Å
302T93.8Very high89Confident1 Ų152.9 Ų52.91%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-137.7167.6178.6600000109.8M69 T300 L308 R309 L311 F330M69-T302 HydrophobicContact CG-CG2 4.1Å; M69-T302 HydrophobicContact SD-CG2 4.1Å; T300-T302 HydrophobicContact CG2-CG2 3.92Å; T302-L308 CarbonylContact O-C 3.6Å; T302-L308 WeakPolarHBondContact O-CA 3.36Å; T302-R309 PolarHBondContact N-O 3.32Å; T302-R309 PolarHBondContact O-N 3.17Å; T302-R309 PolarHBondContact OG1-O 3.01Å; T302-R309 VanDerWaalsContact OG1-O 3.11Å; T302-L311 HydrophobicContact CG2-CB 3.86Å; T302-L311 HydrophobicContact CG2-CD2 3.96Å; T302-F330 HydrophobicContact CG2-CD1 4.41Å; T302-F330 HydrophobicContact CG2-CE1 3.85Å
303Q93.2Very high89Confident36 Ų3653.1 Ų53.117%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-102.8135.3164.9-175.2169.529.400109.4E70 P73 H307E70-Q303 HydrophobicContact CB-CB 4.16Å; E70-Q303 PolarHBondContact N-O 3.5Å; E70-Q303 PolarHBondContact O-N 3.43Å; P73-Q303 VanDerWaalsContact CD-OE1 3.25Å; Q303-H307 WeakPolarHBondContact CA-O 3.49Å
304Y91.5Very high89.1Confident23 Ų2346.3 Ų46.39%0.0926%0.263CS..EExtended strand (participates in β ladder)trans-143.8120.8179.3-171.5-96.4000109.2F64 D65 M68 M69 G306 H307 R309F64-Y304 HydrophobicContact CD2-CD2 4.45Å; F64-Y304 HydrophobicContact CD2-CE2 4.11Å; F64-Y304 AromaticContact CE2-CD2 3.67Å; F64-Y304 HydrophobicContact CE2-CD2 3.67Å; F64-Y304 AromaticContact CE2-CE2 3.72Å; F64-Y304 HydrophobicContact CE2-CE2 3.72Å; F64-Y304 HydrophobicContact CE2-CG 4.32Å; F64-Y304 HydrophobicContact CZ-CD2 4.08Å; F64-Y304 HydrophobicContact CZ-CE2 4.19Å; D65-Y304 WeakPolarHBondContact O-CE2 3.45Å; M68-Y304 HydrophobicContact CB-CD2 4.28Å; M68-Y304 HydrophobicContact CB-CE2 3.66Å; M69-Y304 HydrophobicContact CB-CD2 4.38Å; Y304-G306 VanDerWaalsContact C-N 3.27Å; Y304-G306 PolarHBondContact O-N 2.92Å; Y304-H307 PolarHBondContact N-O 3.07Å; Y304-H307 PolarHBondContact O-N 3.27Å; Y304-H307 VanDerWaalsContact O-N 3.13Å; Y304-R309 VanDerWaalsContact CD1-NH1 3.29Å; Y304-R309 VanDerWaalsContact CE1-NH1 3.29Å
305R88Confident89.3Confident154 Ų15443.9 Ų43.958%0.58124%0.237SC*.THydrogen-bonded Turntrans4948.2-177.5-61-177.8177.6174.40.3112.4H307R305-H307 VanDerWaalsContact C-N 3.25Å; R305-H307 PolarHBondContact O-N 2.94Å; R305-H307 PolarHBondContact O-ND1 2.63Å
306G87Confident89.6Confident54 Ų5443.3 Ų43.356%0.55723%0.234SC*.THydrogen-bonded Turntrans77.6-5.917700000116.2Y304Y304-G306 VanDerWaalsContact C-N 3.27Å; Y304-G306 PolarHBondContact O-N 2.92Å
307H90.1Very high89.9Confident111 Ų11143 Ų4351%0.51423%0.233SC..EExtended strand (participates in β ladder)trans-112.9148-178.9-61.278.3000111.2Q303 Y304 R305Q303-H307 WeakPolarHBondContact CA-O 3.49Å; Y304-H307 PolarHBondContact N-O 3.07Å; Y304-H307 PolarHBondContact O-N 3.27Å; Y304-H307 VanDerWaalsContact O-N 3.13Å; R305-H307 VanDerWaalsContact C-N 3.25Å; R305-H307 PolarHBondContact O-N 2.94Å; R305-H307 PolarHBondContact O-ND1 2.63Å
308L93.7Very high90.4Very high12 Ų1244.3 Ų44.36%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-68.9136.3168.3-66-179.1000109.9V72 L301 T302 K383 A388V72-L308 HydrophobicContact CG1-CD2 3.71Å; L301-L308 HydrophobicContact CD1-CB 4.28Å; L301-L308 HydrophobicContact CD2-CD1 4.31Å; T302-L308 CarbonylContact O-C 3.6Å; T302-L308 WeakPolarHBondContact O-CA 3.36Å; L308-K383 VanDerWaalsContact O-CA 3.27Å; L308-K383 WeakPolarHBondContact O-CA 3.43Å; L308-K383 WeakPolarHBondContact O-CB 3.38Å; L308-K383 PolarHBondContact O-N 2.96Å; L308-A388 HydrophobicContact CB-CB 4.43Å; L308-A388 HydrophobicContact CD1-CB 4.24Å; L308-A388 WeakPolarHBondContact CD1-O 3.47Å
309R93.4Very high90.7Very high32 Ų3250.9 Ų50.912%0.12127%0.266CS..EExtended strand (participates in β ladder)trans-140.4137.1-176.5-173.2177.7-175.2-175.2-1.6110.3T302 Y304 L311 E357T302-R309 PolarHBondContact N-O 3.32Å; T302-R309 PolarHBondContact O-N 3.17Å; T302-R309 PolarHBondContact OG1-O 3.01Å; T302-R309 VanDerWaalsContact OG1-O 3.11Å; Y304-R309 VanDerWaalsContact CD1-NH1 3.29Å; Y304-R309 VanDerWaalsContact CE1-NH1 3.29Å; R309-L311 PolarHBondContact O-N 2.76Å; R309-E357 IonicContact CZ-OE1 2.77Å; R309-E357 IonicContact NE-OE1 3.98Å; R309-E357 PolarHBondContact NE-OE1 2.99Å; R309-E357 IonicContact NH2-OE1 2.8Å; R309-E357 PolarHBondContact NH2-OE1 3.34Å
310L94.4Very high90.9Very high1 Ų152.5 Ų52.51%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-78.2115.3168.5-17965.1000108.7M286 E312 Q315 N334M286-L310 HydrophobicContact CE-CB 4.4Å; M286-L310 HydrophobicContact CE-CD1 4.35Å; M286-L310 HydrophobicContact CE-CD2 4.29Å; M286-L310 HydrophobicContact SD-CD1 4.23Å; L310-E312 HydrophobicContact CG-CG 4.46Å; L310-Q315 PolarHBondContact O-OE1 3.11Å; L310-N334 HydrophobicContact CD1-CB 3.74Å
311L92.2Very high90.7Very high0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-96117.1175-17963.8000109.3F64 W66 G299 T300 T302 R309 Q315 V316 F324F64-L311 HydrophobicContact CD1-CD1 4.41Å; F64-L311 HydrophobicContact CD2-CD1 4.26Å; F64-L311 HydrophobicContact CE1-CD1 3.94Å; F64-L311 HydrophobicContact CE1-CD2 4.48Å; F64-L311 HydrophobicContact CE2-CD1 3.8Å; F64-L311 HydrophobicContact CZ-CD1 3.61Å; F64-L311 HydrophobicContact CZ-CD2 4.21Å; W66-L311 HydrophobicContact CZ3-CD2 4.04Å; G299-L311 CarbonylContact C-O 3.53Å; G299-L311 WeakPolarHBondContact CA-O 3.25Å; T300-L311 HydrophobicContact CG2-CB 4.42Å; T300-L311 PolarHBondContact N-O 2.95Å; T300-L311 PolarHBondContact O-N 2.84Å; T302-L311 HydrophobicContact CG2-CB 3.86Å; T302-L311 HydrophobicContact CG2-CD2 3.96Å; R309-L311 PolarHBondContact O-N 2.76Å; L311-Q315 HydrophobicContact CD1-CB 4.01Å; L311-V316 HydrophobicContact CD1-CG2 4.22Å; L311-V316 HydrophobicContact CD2-CG2 4.31Å; L311-V316 HydrophobicContact CG-CG2 4.2Å; L311-F324 HydrophobicContact CB-CE2 4.39Å; L311-F324 HydrophobicContact CD2-CD2 3.9Å; L311-F324 HydrophobicContact CD2-CE2 3.92Å; L311-F324 HydrophobicContact CG-CD2 4.26Å; L311-F324 HydrophobicContact CG-CE2 3.86Å
312E90.1Very high90.5Very high49 Ų4961.2 Ų61.223%0.22932%0.321CS..  trans-100.7152.6175.4-68.7-69.8178.800111G299 L310 A314 Q315G299-E312 VanDerWaalsContact CA-OE2 3.25Å; G299-E312 WeakPolarHBondContact CA-OE2 3.48Å; G299-E312 PolarHBondContact N-OE2 2.85Å; L310-E312 HydrophobicContact CG-CG 4.46Å; E312-A314 PolarHBondContact O-N 2.77Å; E312-A314 VanDerWaalsContact O-N 3.1Å; E312-Q315 WeakPolarHBondContact O-CB 3.11Å; E312-Q315 PolarHBondContact O-N 3.27Å
313L87.3Confident90.3Very high62 Ų6264.7 Ų64.733%0.32534%0.34SS..G310 helixtrans-54.7-35.1-178.8-179.663.4000113Q315 V316 V321 F324L313-Q315 PolarHBondContact O-N 2.75Å; L313-V316 WeakPolarHBondContact O-CB 3.28Å; L313-V316 PolarHBondContact O-N 2.68Å; L313-V316 VanDerWaalsContact O-N 3.16Å; L313-V321 HydrophobicContact CD1-CG1 4.08Å; L313-V321 HydrophobicContact CD1-CG2 4.43Å; L313-F324 HydrophobicContact CB-CD1 4.42Å; L313-F324 HydrophobicContact CB-CE1 4Å; L313-F324 HydrophobicContact CD1-CD1 3.74Å; L313-F324 HydrophobicContact CD1-CE1 4.17Å
314A84.6Confident90.1Very high94 Ų9463 Ų6378%0.77733%0.332SS*.G310 helixtrans-65.1-17.2179.900000114.1E312E312-A314 PolarHBondContact O-N 2.77Å; E312-A314 VanDerWaalsContact O-N 3.1Å
315Q85.3Confident89.9Confident35 Ų3563.7 Ų63.716%0.16434%0.342CS..G310 helixtrans-94.9-13.4179.9-60.7156.6-2.300111.9F64 L310 L311 E312 L313 E357F64-Q315 WeakPolarHBondContact CB-O 3.27Å; L310-Q315 PolarHBondContact O-OE1 3.11Å; L311-Q315 HydrophobicContact CD1-CB 4.01Å; E312-Q315 WeakPolarHBondContact O-CB 3.11Å; E312-Q315 PolarHBondContact O-N 3.27Å; L313-Q315 PolarHBondContact O-N 2.75Å; Q315-E357 VanDerWaalsContact NE2-CG 3.29Å
316V89Confident89.9Confident12 Ų1258 Ų587%0.07333%0.326CS..SBendtrans-77.7128.5-176.5-179.40000109.3W66 L311 L313 H320 V321 F324W66-V316 HydrophobicContact CE3-CG1 4Å; W66-V316 HydrophobicContact CH2-CG1 4.33Å; W66-V316 HydrophobicContact CZ3-CB 4.34Å; W66-V316 HydrophobicContact CZ3-CG1 3.55Å; W66-V316 HydrophobicContact CZ3-CG2 4Å; L311-V316 HydrophobicContact CD1-CG2 4.22Å; L311-V316 HydrophobicContact CD2-CG2 4.31Å; L311-V316 HydrophobicContact CG-CG2 4.2Å; L313-V316 WeakPolarHBondContact O-CB 3.28Å; L313-V316 PolarHBondContact O-N 2.68Å; L313-V316 VanDerWaalsContact O-N 3.16Å; V316-H320 HydrophobicContact CG1-CB 3.96Å; V316-V321 HydrophobicContact CG1-CG2 4.39Å; V316-F324 HydrophobicContact CG1-CB 4.08Å; V316-F324 HydrophobicContact CG2-CB 4.06Å; V316-F324 HydrophobicContact CG2-CD1 4.44Å; V316-F324 HydrophobicContact CG2-CD2 3.69Å; V316-F324 HydrophobicContact CG2-CE2 4.21Å; V316-F324 HydrophobicContact CG2-CG 3.8Å
317P89.8Confident89.9Confident34 Ų3458.6 Ų58.622%0.22132%0.319CS..  trans-55143.1171.2-25.535.2000111.4W66 E319 H320 V321W66-P317 HydrophobicContact CB-CG 4.35Å; P317-E319 HydrophobicContact CB-CG 4.16Å; P317-E319 PolarHBondContact O-N 3.18Å; P317-H320 PolarHBondContact O-N 2.87Å; P317-V321 PolarHBondContact O-N 3.08Å
318E90.1Very high89.6Confident189 Ų18963.2 Ų63.288%0.88333%0.332SS*.G310 helixtrans-54-34.2-174.7-67.8-177.8177.200113.2H320E318-H320 VanDerWaalsContact C-N 3.28Å; E318-H320 PolarHBondContact O-N 2.93Å
319E93.1Very high89.2Confident160 Ų16066.4 Ų66.475%0.74835%0.352SS*.G310 helixtrans-68.9-19.2178.464.3-162.3175.300114.7P317P317-E319 HydrophobicContact CB-CG 4.16Å; P317-E319 PolarHBondContact O-N 3.18Å
320H92.8Very high89Confident38 Ų3865.6 Ų65.618%0.17635%0.349CS..G310 helixtrans-112.410.2-178.2-69.6-59.3000113.7W66 V316 P317 E318 D322 D323 F324W66-H320 AromaticContact CD1-CD2 3.48Å; W66-H320 VanDerWaalsContact CD1-CD2 3.48Å; W66-H320 AromaticContact CD1-CE1 3.66Å; W66-H320 AromaticContact CD1-CG 3.69Å; W66-H320 AromaticContact CD1-ND1 3.79Å; W66-H320 AromaticContact CD1-NE2 3.46Å; W66-H320 HydrophobicContact CD2-CB 3.71Å; W66-H320 AromaticContact CD2-CD2 3.87Å; W66-H320 AromaticContact CD2-CG 3.72Å; W66-H320 AromaticContact CE2-CG 3.73Å; W66-H320 AromaticContact CE2-ND1 3.98Å; W66-H320 HydrophobicContact CE3-CB 3.88Å; W66-H320 HydrophobicContact CG-CB 4.22Å; W66-H320 AromaticContact CG-CD2 3.39Å; W66-H320 AromaticContact CG-CG 3.73Å; W66-H320 AromaticContact CG-NE2 3.82Å; W66-H320 HydrophobicContact CH2-CB 4.19Å; W66-H320 HydrophobicContact CZ2-CB 4.02Å; W66-H320 HydrophobicContact CZ3-CB 4.13Å; W66-H320 AromaticContact NE1-CD2 3.97Å; W66-H320 AromaticContact NE1-CE1 3.82Å; W66-H320 AromaticContact NE1-CG 3.68Å; W66-H320 AromaticContact NE1-ND1 3.58Å; V316-H320 HydrophobicContact CG1-CB 3.96Å; P317-H320 PolarHBondContact O-N 2.87Å; E318-H320 VanDerWaalsContact C-N 3.28Å; E318-H320 PolarHBondContact O-N 2.93Å; H320-D322 VanDerWaalsContact C-N 3.3Å; H320-D322 PolarHBondContact O-N 2.73Å; H320-D323 IonicContact CE1-OD2 2.65Å; H320-D323 IonicContact CG-OD2 3.8Å; H320-D323 IonicContact ND1-OD2 3.68Å; H320-D323 PolarHBondContact ND1-OD2 2.73Å; H320-D323 WeakPolarHBondContact O-CB 3.24Å; H320-D323 PolarHBondContact O-N 2.85Å; H320-F324 PolarHBondContact O-N 3.2Å
321V90.9Very high88.9Confident51 Ų5172.3 Ų72.331%0.30938%0.378SS..Hα-helixtrans-60.1-40.8179.7167.10000111.8L313 V316 P317 F324 A325L313-V321 HydrophobicContact CD1-CG1 4.08Å; L313-V321 HydrophobicContact CD1-CG2 4.43Å; V316-V321 HydrophobicContact CG1-CG2 4.39Å; P317-V321 PolarHBondContact O-N 3.08Å; V321-F324 PolarHBondContact O-N 3.4Å; V321-A325 WeakPolarHBondContact O-CB 3.15Å; V321-A325 PolarHBondContact O-N 3.35Å
322D90.3Very high89Confident137 Ų13773.2 Ų73.273%0.73338%0.383SS*.Hα-helixtrans-69.5-35.7178.7-71.2-24000112H320 F324 A325 S326H320-D322 VanDerWaalsContact C-N 3.3Å; H320-D322 PolarHBondContact O-N 2.73Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-A325 PolarHBondContact O-N 3.27Å; D322-S326 PolarHBondContact O-N 3.16Å; D322-S326 VanDerWaalsContact O-N 3.12Å
323D89.9Confident89.2Confident75 Ų7571.2 Ų71.240%0.40137%0.374SS..Hα-helixtrans-64-41.1174.1-66.8-36000111.2W66 H320 S326W66-D323 HydrophobicContact CH2-CB 4.41Å; W66-D323 HydrophobicContact CZ2-CB 3.88Å; H320-D323 IonicContact CE1-OD2 2.65Å; H320-D323 IonicContact CG-OD2 3.8Å; H320-D323 IonicContact ND1-OD2 3.68Å; H320-D323 PolarHBondContact ND1-OD2 2.73Å; H320-D323 WeakPolarHBondContact O-CB 3.24Å; H320-D323 PolarHBondContact O-N 2.85Å; D323-S326 VanDerWaalsContact O-CB 3.23Å; D323-S326 WeakPolarHBondContact O-CB 3.4Å; D323-S326 PolarHBondContact O-N 2.74Å
324F89Confident89.6Confident0 Ų069.2 Ų69.20%036%0.363CS..Hα-helixtrans-66-39.3175.2-179-94.4000112.9W66 T300 L311 L313 V316 H320 V321 D322 S326 F330W66-F324 HydrophobicContact CH2-CB 4.05Å; W66-F324 HydrophobicContact CZ3-CB 4.42Å; T300-F324 HydrophobicContact CG2-CD2 4.48Å; T300-F324 HydrophobicContact CG2-CE2 3.72Å; T300-F324 HydrophobicContact CG2-CZ 4.38Å; L311-F324 HydrophobicContact CB-CE2 4.39Å; L311-F324 HydrophobicContact CD2-CD2 3.9Å; L311-F324 HydrophobicContact CD2-CE2 3.92Å; L311-F324 HydrophobicContact CG-CD2 4.26Å; L311-F324 HydrophobicContact CG-CE2 3.86Å; L313-F324 HydrophobicContact CB-CD1 4.42Å; L313-F324 HydrophobicContact CB-CE1 4Å; L313-F324 HydrophobicContact CD1-CD1 3.74Å; L313-F324 HydrophobicContact CD1-CE1 4.17Å; V316-F324 HydrophobicContact CG1-CB 4.08Å; V316-F324 HydrophobicContact CG2-CB 4.06Å; V316-F324 HydrophobicContact CG2-CD1 4.44Å; V316-F324 HydrophobicContact CG2-CD2 3.69Å; V316-F324 HydrophobicContact CG2-CE2 4.21Å; V316-F324 HydrophobicContact CG2-CG 3.8Å; H320-F324 PolarHBondContact O-N 3.2Å; V321-F324 PolarHBondContact O-N 3.4Å; D322-F324 VanDerWaalsContact C-N 3.34Å; F324-S326 PolarHBondContact O-N 2.88Å; F324-F330 HydrophobicContact CD2-CD2 4.4Å; F324-F330 HydrophobicContact CD2-CE2 4.3Å
325A87.5Confident90.2Very high38 Ų3865 Ų6531%0.31433%0.327SS..Hα-helixtrans-70-15.417700000112.9V321 D322 V327V321-A325 WeakPolarHBondContact O-CB 3.15Å; V321-A325 PolarHBondContact O-N 3.35Å; D322-A325 PolarHBondContact O-N 3.27Å; A325-V327 PolarHBondContact O-N 2.67Å; A325-V327 VanDerWaalsContact O-N 3.15Å
326S88.1Confident90.8Very high34 Ų3464 Ų6424%0.23832%0.324CS..  trans-69.3108.1178.6-176.50000112.1D322 D323 F324 R328 T329 F330D322-S326 PolarHBondContact O-N 3.16Å; D322-S326 VanDerWaalsContact O-N 3.12Å; D323-S326 VanDerWaalsContact O-CB 3.23Å; D323-S326 WeakPolarHBondContact O-CB 3.4Å; D323-S326 PolarHBondContact O-N 2.74Å; F324-S326 PolarHBondContact O-N 2.88Å; S326-R328 PolarHBondContact O-N 3.5Å; S326-R328 VanDerWaalsContact O-N 3.12Å; S326-T329 PolarHBondContact O-N 3.19Å; S326-T329 VanDerWaalsContact O-N 3.09Å; S326-T329 PolarHBondContact OG-OG1 2.96Å; S326-F330 PolarHBondContact O-N 2.91Å
327V85.1Confident91.2Very high66 Ų6663.5 Ų63.540%0.432%0.32SS..THydrogen-bonded Turntrans-61.1-17.1172.2-69.40000113.8K291 V296 A325K291-V327 HydrophobicContact CB-CG1 4.01Å; V296-V327 HydrophobicContact CG1-CG1 3.93Å; A325-V327 PolarHBondContact O-N 2.67Å; A325-V327 VanDerWaalsContact O-N 3.15Å
328R85Confident91.6Very high209 Ų20961.9 Ų61.979%0.78931%0.31SS*.THydrogen-bonded Turntrans-74.3-38.5175.2-172.2178.668.2-175.3-0.4111.3S326S326-R328 PolarHBondContact O-N 3.5Å; S326-R328 VanDerWaalsContact O-N 3.12Å
329T85.2Confident92Very high79 Ų7952.9 Ų52.949%0.48527%0.268SS..THydrogen-bonded Turntrans-79.8-53.8-179.7-49.90000109.9S326S326-T329 PolarHBondContact O-N 3.19Å; S326-T329 VanDerWaalsContact O-N 3.09Å; S326-T329 PolarHBondContact OG-OG1 2.96Å
330F89.4Confident92.3Very high14 Ų1445.2 Ų45.26%0.06123%0.232CC..  trans-109.398.1-179.7-59.4-77.1000109.6W66 M69 K291 T300 T302 F324 S326W66-F330 AromaticContact CH2-CE2 3.79Å; W66-F330 HydrophobicContact CH2-CE2 3.79Å; W66-F330 AromaticContact CH2-CZ 3.84Å; W66-F330 HydrophobicContact CH2-CZ 3.84Å; W66-F330 HydrophobicContact CZ2-CE2 4.2Å; W66-F330 HydrophobicContact CZ2-CZ 4.21Å; M69-F330 HydrophobicContact CE-CE1 4.28Å; M69-F330 HydrophobicContact CE-CZ 3.73Å; M69-F330 HydrophobicContact SD-CE1 4.09Å; M69-F330 HydrophobicContact SD-CZ 4.15Å; K291-F330 WeakPolarHBondContact CD-O 3.43Å; T300-F330 HydrophobicContact CG2-CB 4.14Å; T300-F330 HydrophobicContact CG2-CD1 3.43Å; T300-F330 VanDerWaalsContact CG2-CD1 3.43Å; T300-F330 HydrophobicContact CG2-CE1 4.01Å; T300-F330 HydrophobicContact CG2-CG 3.89Å; T302-F330 HydrophobicContact CG2-CD1 4.41Å; T302-F330 HydrophobicContact CG2-CE1 3.85Å; F324-F330 HydrophobicContact CD2-CD2 4.4Å; F324-F330 HydrophobicContact CD2-CE2 4.3Å; S326-F330 PolarHBondContact O-N 2.91Å
331K91.4Very high92.5Very high142 Ų14245 Ų4562%0.61723%0.232SC*.  trans-81.6-20.8-173.3-62.4179.9-176.91770113.9D290 K291D290-K331 WeakPolarHBondContact CA-O 3.16Å; K291-K331 PolarHBondContact N-O 3.19Å
332I94.4Very high92.8Very high20 Ų2042.6 Ų42.610%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-119.8157.6-172.456.9165.9000111.5I77 V288 T289 K291 T300 L301I77-I332 HydrophobicContact CD1-CD1 3.49Å; I77-I332 VanDerWaalsContact CD1-CD1 3.49Å; V288-I332 HydrophobicContact CB-CB 4.19Å; V288-I332 HydrophobicContact CB-CD1 4.12Å; V288-I332 HydrophobicContact CG1-CD1 4.25Å; V288-I332 HydrophobicContact CG2-CB 4.22Å; V288-I332 HydrophobicContact CG2-CD1 3.8Å; V288-I332 HydrophobicContact CG2-CG2 4.35Å; T289-I332 CarbonylContact O-C 3.57Å; T289-I332 WeakPolarHBondContact O-CA 3.37Å; K291-I332 VanDerWaalsContact CE-O 3.26Å; K291-I332 WeakPolarHBondContact CE-O 3.39Å; T300-I332 WeakPolarHBondContact CB-O 3.4Å; T300-I332 PolarHBondContact OG1-O 3.38Å; L301-I332 HydrophobicContact CB-CD1 4.21Å
333F95Very high93.2Very high7 Ų741.8 Ų41.83%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-140159.2169.377.5-76.5000112V288 T289 K291 D295 G299 F398V288-F333 CarbonylContact C-O 3.45Å; V288-F333 WeakPolarHBondContact CA-O 3.19Å; V288-F333 WeakPolarHBondContact CB-O 3.42Å; T289-F333 HydrophobicContact CG2-CD1 3.94Å; T289-F333 HydrophobicContact CG2-CE1 3.2Å; T289-F333 HydrophobicContact CG2-CE2 4.4Å; T289-F333 HydrophobicContact CG2-CZ 3.47Å; T289-F333 VanDerWaalsContact CG2-CZ 3.47Å; T289-F333 PolarHBondContact N-O 3.18Å; T289-F333 VanDerWaalsContact O-CD1 3.23Å; T289-F333 WeakPolarHBondContact O-CD1 3.44Å; T289-F333 PolarHBondContact O-N 3.09Å; K291-F333 HydrophobicContact CB-CD1 4.43Å; K291-F333 HydrophobicContact CD-CB 4.34Å; K291-F333 HydrophobicContact CG-CB 3.75Å; K291-F333 HydrophobicContact CG-CD1 3.79Å; K291-F333 HydrophobicContact CG-CG 4.15Å; D295-F333 HydrophobicContact CB-CD1 3.99Å; D295-F333 HydrophobicContact CB-CD2 4.44Å; D295-F333 HydrophobicContact CB-CE1 3.88Å; D295-F333 HydrophobicContact CB-CE2 4.37Å; D295-F333 HydrophobicContact CB-CG 4.26Å; D295-F333 HydrophobicContact CB-CZ 4.09Å; G299-F333 VanDerWaalsContact O-CA 3.3Å; G299-F333 WeakPolarHBondContact O-CA 3.36Å; G299-F333 WeakPolarHBondContact O-CB 3.33Å; F333-F398 HydrophobicContact CE2-CD1 4.11Å; F333-F398 AromaticContact CE2-CE1 3.54Å; F333-F398 HydrophobicContact CE2-CE1 3.54Å; F333-F398 HydrophobicContact CE2-CE2 4.1Å; F333-F398 AromaticContact CE2-CZ 3.51Å; F333-F398 HydrophobicContact CE2-CZ 3.51Å; F333-F398 AromaticContact CZ-CD1 3.6Å; F333-F398 HydrophobicContact CZ-CD1 3.6Å; F333-F398 AromaticContact CZ-CE1 3.37Å; F333-F398 HydrophobicContact CZ-CE1 3.37Å; F333-F398 HydrophobicContact CZ-CG 4.28Å; F333-F398 AromaticContact CZ-CZ 3.87Å; F333-F398 HydrophobicContact CZ-CZ 3.87Å
334N96.4Very high93.5Very high20 Ų2038.4 Ų38.411%0.10719%0.191CC..EExtended strand (participates in β ladder)trans-70.3127.5179.8175.428000111.7M286 G299 L310 N336M286-N334 WeakPolarHBondContact CG-OD1 3.36Å; M286-N334 HydrophobicContact SD-CB 3.8Å; M286-N334 VanDerWaalsContact SD-CG 3.54Å; M286-N334 PolarHBondContact SD-OD1 2.84Å; M286-N334 VanDerWaalsContact SD-OD1 3.39Å; G299-N334 PolarHBondContact O-N 2.92Å; L310-N334 HydrophobicContact CD1-CB 3.74Å; N334-N336 VanDerWaalsContact C-N 3.34Å; N334-N336 WeakPolarHBondContact OD1-CA 3.43Å; N334-N336 PolarHBondContact OD1-N 2.82Å
335T96.7Very high93.9Very high4 Ų438.4 Ų38.43%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-83.3-12.617564.20000113.4E287 T289 N337 V393 F398E287-T335 WeakPolarHBondContact CB-OG1 3.5Å; E287-T335 WeakPolarHBondContact O-CB 3.41Å; E287-T335 WeakPolarHBondContact O-CG2 3.22Å; E287-T335 PolarHBondContact O-N 2.92Å; E287-T335 VanDerWaalsContact O-N 3.12Å; E287-T335 PolarHBondContact O-OG1 3.32Å; T289-T335 HydrophobicContact CG2-CG2 3.75Å; T335-N337 PolarHBondContact O-N 3.37Å; T335-N337 WeakPolarHBondContact OG1-CB 3.43Å; T335-N337 PolarHBondContact OG1-N 3.27Å; T335-V393 HydrophobicContact CG2-CG2 4.25Å; T335-F398 HydrophobicContact CG2-CB 4.05Å; T335-F398 HydrophobicContact CG2-CD2 3.92Å; T335-F398 HydrophobicContact CG2-CG 4.16Å; T335-F398 WeakPolarHBondContact O-CE2 3.47Å
336N96.7Very high94.4Very high16 Ų1638.7 Ų38.79%0.08619%0.186CC..EExtended strand (participates in β ladder)trans6121.9-168.1-150.347.6000114.1N254 N334N254-N336 PolarHBondContact OD1-ND2 2.7Å; N334-N336 VanDerWaalsContact C-N 3.34Å; N334-N336 WeakPolarHBondContact OD1-CA 3.43Å; N334-N336 PolarHBondContact OD1-N 2.82Å
337N98.5Very high94.9Very high0 Ų041.3 Ų41.30%019%0.191CC..EExtended strand (participates in β ladder)trans-92.8109.9164.3-62.8-12.7000107.7F251 M252 S253 N257 A260 E287 T335 R397F251-N337 HydrophobicContact CE2-CB 3.91Å; F251-N337 HydrophobicContact CZ-CB 4.37Å; M252-N337 WeakPolarHBondContact O-CA 3.26Å; S253-N337 WeakPolarHBondContact CB-OD1 3.35Å; N257-N337 PolarHBondContact ND2-OD1 3.43Å; A260-N337 VanDerWaalsContact CB-OD1 3.29Å; A260-N337 WeakPolarHBondContact CB-OD1 3.27Å; E287-N337 HydrophobicContact CB-CB 3.92Å; E287-N337 VanDerWaalsContact CD-CB 3.49Å; E287-N337 HydrophobicContact CG-CB 4.01Å; E287-N337 PolarHBondContact N-O 3.16Å; E287-N337 WeakPolarHBondContact OE2-CB 3.37Å; E287-N337 PolarHBondContact OE2-ND2 3.23Å; T335-N337 PolarHBondContact O-N 3.37Å; T335-N337 WeakPolarHBondContact OG1-CB 3.43Å; T335-N337 PolarHBondContact OG1-N 3.27Å; N337-R397 PolarHBondContact ND2-O 2.91Å
338L98.5Very high95.4Very high0 Ų038.2 Ų38.20%017%0.173CC..EExtended strand (participates in β ladder)trans-123.5132.7-168.2-53.1178.3000110.5M252 F284 M286 I340 A378M252-L338 HydrophobicContact CE-CB 4Å; M252-L338 HydrophobicContact CE-CD1 3.26Å; M252-L338 HydrophobicContact CE-CG 4.05Å; M252-L338 PolarHBondContact N-O 2.65Å; M252-L338 PolarHBondContact O-N 2.99Å; F284-L338 HydrophobicContact CE1-CD2 3.98Å; F284-L338 HydrophobicContact CZ-CB 4.2Å; F284-L338 HydrophobicContact CZ-CD1 3.9Å; F284-L338 HydrophobicContact CZ-CD2 4.06Å; F284-L338 HydrophobicContact CZ-CG 4.26Å; M286-L338 HydrophobicContact CB-CD2 4Å; M286-L338 HydrophobicContact CE-CD2 3.93Å; M286-L338 HydrophobicContact CG-CD2 3.74Å; L338-I340 HydrophobicContact CB-CD1 4.36Å; L338-I340 HydrophobicContact CB-CG1 4.41Å; L338-A378 HydrophobicContact CD1-CB 4.09Å
339W98.5Very high96Very high0 Ų029.7 Ų29.70%014%0.143CC..EExtended strand (participates in β ladder)trans-110.7122.2174-57.877.6000108.4L99 W249 V250 F251 V262 D263 I266 L267 L270 F284 V285 E287L99-W339 HydrophobicContact CD1-CE3 4.23Å; L99-W339 HydrophobicContact CD1-CZ3 3.77Å; L99-W339 HydrophobicContact CD2-CZ3 4.32Å; W249-W339 HydrophobicContact CE3-CB 4.19Å; W249-W339 HydrophobicContact CZ3-CB 4.2Å; V250-W339 CarbonylContact O-C 3.55Å; V250-W339 VanDerWaalsContact O-CA 3.32Å; V250-W339 WeakPolarHBondContact O-CA 3.36Å; F251-W339 HydrophobicContact CB-CD2 4.11Å; F251-W339 HydrophobicContact CB-CE3 3.76Å; F251-W339 HydrophobicContact CB-CH2 4.08Å; F251-W339 HydrophobicContact CB-CZ2 4.4Å; F251-W339 HydrophobicContact CB-CZ3 3.74Å; F251-W339 HydrophobicContact CD1-CH2 4.05Å; F251-W339 HydrophobicContact CD1-CZ2 4.04Å; F251-W339 AromaticContact CD2-CD2 3.83Å; F251-W339 HydrophobicContact CD2-CD2 3.83Å; F251-W339 AromaticContact CD2-CE2 3.51Å; F251-W339 HydrophobicContact CD2-CE3 4.34Å; F251-W339 HydrophobicContact CD2-CG 4.24Å; F251-W339 HydrophobicContact CD2-CH2 4.34Å; F251-W339 AromaticContact CD2-CZ2 3.81Å; F251-W339 HydrophobicContact CD2-CZ2 3.81Å; F251-W339 AromaticContact CD2-NE1 3.7Å; F251-W339 HydrophobicContact CE1-CZ2 4.34Å; F251-W339 AromaticContact CE2-CE2 3.92Å; F251-W339 HydrophobicContact CE2-CZ2 4.1Å; F251-W339 AromaticContact CE2-NE1 3.79Å; F251-W339 HydrophobicContact CG-CD2 4.12Å; F251-W339 AromaticContact CG-CE2 3.91Å; F251-W339 HydrophobicContact CG-CE3 4.18Å; F251-W339 AromaticContact CG-CH2 3.9Å; F251-W339 HydrophobicContact CG-CH2 3.9Å; F251-W339 AromaticContact CG-CZ2 3.82Å; F251-W339 HydrophobicContact CG-CZ2 3.82Å; F251-W339 HydrophobicContact CG-CZ3 4.06Å; F251-W339 HydrophobicContact CZ-CZ2 4.37Å; V262-W339 HydrophobicContact CG1-CH2 4.5Å; D263-W339 HydrophobicContact CB-CZ2 4.25Å; I266-W339 HydrophobicContact CB-CZ2 4.14Å; I266-W339 HydrophobicContact CG2-CD2 4.01Å; I266-W339 HydrophobicContact CG2-CG 4.21Å; I266-W339 HydrophobicContact CG2-CZ2 4.07Å; L267-W339 HydrophobicContact CB-CH2 4.46Å; L267-W339 HydrophobicContact CB-CZ3 4.25Å; L267-W339 HydrophobicContact CD1-CZ3 4.02Å; L270-W339 HydrophobicContact CD1-CB 3.59Å; L270-W339 HydrophobicContact CD1-CD2 3.78Å; L270-W339 HydrophobicContact CD1-CE3 3.61Å; L270-W339 HydrophobicContact CD1-CG 3.81Å; F284-W339 CarbonylContact C-O 3.58Å; F284-W339 WeakPolarHBondContact CA-O 3.47Å; V285-W339 HydrophobicContact CB-CB 4.2Å; V285-W339 PolarHBondContact N-O 3.25Å; V285-W339 PolarHBondContact O-N 3.05Å; E287-W339 PolarHBondContact OE1-NE1 3.33Å
340I98.4Very high96.5Very high0 Ų031.5 Ų31.50%014%0.144CC..EExtended strand (participates in β ladder)trans-129.6129.3-170-52.2153.1000108.9F229 Y230 V250 M252 F284 L338 L342 L345 F385F229-I340 HydrophobicContact CE1-CD1 4.02Å; Y230-I340 HydrophobicContact CE1-CD1 3.76Å; Y230-I340 HydrophobicContact CE1-CG2 4.47Å; V250-I340 PolarHBondContact N-O 3.18Å; V250-I340 PolarHBondContact O-N 2.86Å; M252-I340 HydrophobicContact CE-CD1 3.98Å; F284-I340 HydrophobicContact CD2-CB 4.49Å; F284-I340 HydrophobicContact CD2-CG1 3.81Å; F284-I340 HydrophobicContact CD2-CG2 4.2Å; F284-I340 HydrophobicContact CE2-CD1 4.16Å; F284-I340 HydrophobicContact CE2-CG1 3.63Å; F284-I340 HydrophobicContact CZ-CG1 4.33Å; L338-I340 HydrophobicContact CB-CD1 4.36Å; L338-I340 HydrophobicContact CB-CG1 4.41Å; I340-L342 PolarHBondContact O-N 3.2Å; I340-L345 HydrophobicContact CG2-CB 3.98Å; I340-L345 HydrophobicContact CG2-CD1 4.09Å; I340-F385 HydrophobicContact CG2-CE1 3.97Å; I340-F385 HydrophobicContact CG2-CZ 4Å
341D97.8Very high96.8Very high33 Ų3336.8 Ų36.818%0.17617%0.17CC..EExtended strand (participates in β ladder)trans-66.9125.2171.3179.2-82.5000109.1W249 E283 Q343 A344 L345W249-D341 HydrophobicContact CH2-CB 4.15Å; W249-D341 HydrophobicContact CZ2-CB 4.32Å; W249-D341 HydrophobicContact CZ3-CB 4.29Å; W249-D341 VanDerWaalsContact CZ3-N 3.34Å; E283-D341 HydrophobicContact CB-CB 4.32Å; E283-D341 PolarHBondContact O-N 2.85Å; D341-Q343 VanDerWaalsContact C-N 3.34Å; D341-Q343 PolarHBondContact O-N 2.74Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.48Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.27Å; D341-Q343 PolarHBondContact OD1-N 3.34Å; D341-A344 HydrophobicContact CB-CB 3.95Å; D341-A344 PolarHBondContact O-N 2.92Å; D341-A344 PolarHBondContact OD1-N 3.49Å; D341-L345 WeakPolarHBondContact O-CB 3.04Å; D341-L345 PolarHBondContact O-N 2.95Å
342L97.8Very high96.8Very high0 Ų038.8 Ų38.80%018%0.178CC..Hα-helixtrans-70.5-32-171.4-178.359000112.2F233 A239 M242 I243 K247 Q248 V250 I340 H346F233-L342 HydrophobicContact CD1-CD1 4.47Å; F233-L342 HydrophobicContact CE1-CD1 3.73Å; A239-L342 HydrophobicContact CB-CD1 4.31Å; M242-L342 HydrophobicContact CB-CD2 3.6Å; I243-L342 HydrophobicContact CD1-CG 4.09Å; I243-L342 HydrophobicContact CG1-CD2 3.56Å; I243-L342 HydrophobicContact CG1-CG 3.57Å; K247-L342 HydrophobicContact CB-CD2 4.06Å; Q248-L342 VanDerWaalsContact O-CB 3.23Å; Q248-L342 WeakPolarHBondContact O-CB 3.48Å; Q248-L342 PolarHBondContact O-N 2.95Å; V250-L342 HydrophobicContact CG2-CD1 3.92Å; I340-L342 PolarHBondContact O-N 3.2Å; L342-H346 WeakPolarHBondContact O-CB 3.38Å; L342-H346 PolarHBondContact O-N 3.3Å
343Q97.1Very high96.9Very high121 Ų12140.8 Ų40.857%0.56519%0.192SC*.Hα-helixtrans-73.7-42.5176.4-63.1-171.412.600110.8D341 L345 H346 R347D341-Q343 VanDerWaalsContact C-N 3.34Å; D341-Q343 PolarHBondContact O-N 2.74Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.48Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.27Å; D341-Q343 PolarHBondContact OD1-N 3.34Å; Q343-L345 VanDerWaalsContact C-N 3.33Å; Q343-H346 PolarHBondContact O-N 2.91Å; Q343-R347 VanDerWaalsContact O-CB 3.28Å; Q343-R347 WeakPolarHBondContact O-CB 3.46Å; Q343-R347 PolarHBondContact O-N 3.06Å
344A97.3Very high96.8Very high3 Ų341.4 Ų41.43%0.02520%0.195CC..Hα-helixtrans-61.6-43174.700000110.9E283 D341 H346 R347 S348 F385E283-A344 HydrophobicContact CB-CB 3.75Å; E283-A344 HydrophobicContact CG-CB 3.85Å; D341-A344 HydrophobicContact CB-CB 3.95Å; D341-A344 PolarHBondContact O-N 2.92Å; D341-A344 PolarHBondContact OD1-N 3.49Å; A344-H346 PolarHBondContact O-N 3.16Å; A344-R347 PolarHBondContact O-N 3.21Å; A344-S348 WeakPolarHBondContact O-CB 3.48Å; A344-S348 PolarHBondContact O-N 2.74Å; A344-S348 PolarHBondContact O-OG 3.03Å; A344-F385 HydrophobicContact CB-CD1 3.91Å; A344-F385 HydrophobicContact CB-CE1 3.97Å
345L97.8Very high96.5Very high0 Ų046.4 Ų46.40%022%0.218CC..Hα-helixtrans-55.6-53173.2178156.7000111.1F229 Y230 F233 V234 I340 D341 Q343 R347 S348 V349F229-L345 HydrophobicContact CD1-CD1 4.47Å; F229-L345 HydrophobicContact CE1-CD1 3.56Å; F229-L345 HydrophobicContact CZ-CD1 4.07Å; Y230-L345 HydrophobicContact CD1-CD1 3.69Å; Y230-L345 HydrophobicContact CD1-CG 3.88Å; Y230-L345 HydrophobicContact CE1-CD1 4.23Å; F233-L345 HydrophobicContact CD1-CD2 4.32Å; V234-L345 HydrophobicContact CG2-CD2 3.63Å; I340-L345 HydrophobicContact CG2-CB 3.98Å; I340-L345 HydrophobicContact CG2-CD1 4.09Å; D341-L345 WeakPolarHBondContact O-CB 3.04Å; D341-L345 PolarHBondContact O-N 2.95Å; Q343-L345 VanDerWaalsContact C-N 3.33Å; L345-R347 PolarHBondContact O-N 3.03Å; L345-S348 PolarHBondContact O-N 3.4Å; L345-V349 WeakPolarHBondContact O-CG2 3.48Å; L345-V349 PolarHBondContact O-N 3.17Å; L345-V349 VanDerWaalsContact O-N 3.13Å
346H97.8Very high96.4Very high44 Ų4446.2 Ų46.220%0.20422%0.216CC..Hα-helixtrans-61.2-46.7-178.4-178.2-91.3000111.4E240 I243 L342 Q343 A344 S348 V349 K350E240-H346 WeakPolarHBondContact CG-NE2 3.49Å; E240-H346 IonicContact OE1-CD2 3.34Å; E240-H346 PolarHBondContact OE1-CD2 2.77Å; E240-H346 IonicContact OE1-CE1 3.47Å; E240-H346 IonicContact OE1-NE2 3.59Å; E240-H346 PolarHBondContact OE1-NE2 3.24Å; I243-H346 HydrophobicContact CD1-CB 3.9Å; L342-H346 WeakPolarHBondContact O-CB 3.38Å; L342-H346 PolarHBondContact O-N 3.3Å; Q343-H346 PolarHBondContact O-N 2.91Å; A344-H346 PolarHBondContact O-N 3.16Å; H346-S348 PolarHBondContact O-N 2.87Å; H346-V349 PolarHBondContact O-N 3.22Å; H346-K350 WeakPolarHBondContact NE2-CE 3.41Å; H346-K350 WeakPolarHBondContact O-CG 3.43Å; H346-K350 PolarHBondContact O-N 3.3Å
347R97.6Very high96Very high89 Ų8946 Ų4634%0.33622%0.215SC..Hα-helixtrans-56.4-51.9175.9179.7-175.364.2-167-5.6111.2E283 Q343 A344 L345 V349 K350 Q351 N386E283-R347 IonicContact OE1-CZ 3.45Å; E283-R347 IonicContact OE1-NH1 3.47Å; E283-R347 IonicContact OE1-NH2 2.65Å; E283-R347 PolarHBondContact OE1-NH2 3.18Å; E283-R347 IonicContact OE2-NH2 3.41Å; E283-R347 PolarHBondContact OE2-NH2 3.36Å; Q343-R347 VanDerWaalsContact O-CB 3.28Å; Q343-R347 WeakPolarHBondContact O-CB 3.46Å; Q343-R347 PolarHBondContact O-N 3.06Å; A344-R347 PolarHBondContact O-N 3.21Å; L345-R347 PolarHBondContact O-N 3.03Å; R347-V349 VanDerWaalsContact C-N 3.28Å; R347-V349 PolarHBondContact O-N 3.49Å; R347-K350 PolarHBondContact O-N 3.12Å; R347-Q351 HydrophobicContact CG-CG 4.26Å; R347-Q351 VanDerWaalsContact O-CB 3.32Å; R347-Q351 WeakPolarHBondContact O-CB 3.5Å; R347-Q351 WeakPolarHBondContact O-CG 3.38Å; R347-Q351 PolarHBondContact O-N 3.33Å; R347-N386 PolarHBondContact NH2-ND2 2.97Å
348S96.9Very high95.7Very high2 Ų247.1 Ų47.11%0.01422%0.221CC..Hα-helixtrans-63.4-34.1-175.2-64.60000112.6A344 L345 H346 K352 T353 L354A344-S348 WeakPolarHBondContact O-CB 3.48Å; A344-S348 PolarHBondContact O-N 2.74Å; A344-S348 PolarHBondContact O-OG 3.03Å; L345-S348 PolarHBondContact O-N 3.4Å; H346-S348 PolarHBondContact O-N 2.87Å; S348-K352 PolarHBondContact O-N 2.65Å; S348-T353 VanDerWaalsContact CA-OG1 3.3Å; S348-T353 WeakPolarHBondContact CA-OG1 3.49Å; S348-T353 PolarHBondContact O-N 2.8Å; S348-T353 PolarHBondContact O-OG1 3.31Å; S348-L354 PolarHBondContact O-N 2.57Å
349V95.9Very high95.4Very high29 Ų2949.9 Ų49.918%0.17624%0.235CC..Hα-helixtrans-72.7-48.2174.41760000111.5V234 L345 H346 R347 Q351 K352V234-V349 HydrophobicContact CB-CB 4.47Å; V234-V349 HydrophobicContact CB-CG1 3.98Å; V234-V349 HydrophobicContact CG1-CG1 4.05Å; V234-V349 HydrophobicContact CG2-CB 4.04Å; V234-V349 HydrophobicContact CG2-CG1 4.1Å; V234-V349 HydrophobicContact CG2-CG2 4.11Å; L345-V349 WeakPolarHBondContact O-CG2 3.48Å; L345-V349 PolarHBondContact O-N 3.17Å; L345-V349 VanDerWaalsContact O-N 3.13Å; H346-V349 PolarHBondContact O-N 3.22Å; R347-V349 VanDerWaalsContact C-N 3.28Å; R347-V349 PolarHBondContact O-N 3.49Å; V349-Q351 PolarHBondContact O-N 3.04Å; V349-K352 PolarHBondContact O-N 3.24Å
350K95.7Very high95Very high117 Ų11752.7 Ų52.751%0.50925%0.252SS..Hα-helixtrans-66.1-37.2-178.1-66.1-65.2-174.3-172.40112.6V234 E240 H346 R347 K352V234-K350 HydrophobicContact CG1-CD 4.26Å; E240-K350 WeakPolarHBondContact OE1-CE 3.31Å; E240-K350 IonicContact OE1-NZ 2.82Å; E240-K350 PolarHBondContact OE1-NZ 2.97Å; H346-K350 WeakPolarHBondContact NE2-CE 3.41Å; H346-K350 WeakPolarHBondContact O-CG 3.43Å; H346-K350 PolarHBondContact O-N 3.3Å; R347-K350 PolarHBondContact O-N 3.12Å; K350-K352 VanDerWaalsContact C-N 3.28Å
351Q96.2Very high94.7Very high126 Ų12655 Ų5559%0.58927%0.265SS*.THydrogen-bonded Turntrans-83.3-3.5177.8-64.7-178.8-14.200113.1R347 V349 T353R347-Q351 HydrophobicContact CG-CG 4.26Å; R347-Q351 VanDerWaalsContact O-CB 3.32Å; R347-Q351 WeakPolarHBondContact O-CB 3.5Å; R347-Q351 WeakPolarHBondContact O-CG 3.38Å; R347-Q351 PolarHBondContact O-N 3.33Å; V349-Q351 PolarHBondContact O-N 3.04Å; Q351-T353 HydrophobicContact CB-CG2 3.97Å; Q351-T353 PolarHBondContact O-N 3.14Å
352K92.9Very high94.5Very high183 Ų18356.6 Ų56.680%0.79628%0.276SS*.THydrogen-bonded Turntrans54.337.2-177.5-54.3-174.5179.6-175.10113.4S348 V349 K350S348-K352 PolarHBondContact O-N 2.65Å; V349-K352 PolarHBondContact O-N 3.24Å; K350-K352 VanDerWaalsContact C-N 3.28Å
353T94.8Very high94.3Very high63 Ų6361 Ų6139%0.38730%0.296SS..  trans-92.4-8.9176.858.20000112.8S348 Q351 Q355S348-T353 VanDerWaalsContact CA-OG1 3.3Å; S348-T353 WeakPolarHBondContact CA-OG1 3.49Å; S348-T353 PolarHBondContact O-N 2.8Å; S348-T353 PolarHBondContact O-OG1 3.31Å; Q351-T353 HydrophobicContact CB-CG2 3.97Å; Q351-T353 PolarHBondContact O-N 3.14Å; T353-Q355 PolarHBondContact O-N 2.8Å
354L93.3Very high94.1Very high19 Ų1959.5 Ų59.510%0.09929%0.294CS..  trans-65.7116.9178.5-165.574.8000110.6Y230 S348 M356 A381 F385Y230-L354 HydrophobicContact CD2-CD1 4.37Å; Y230-L354 HydrophobicContact CD2-CD2 3.68Å; Y230-L354 HydrophobicContact CG-CD1 4.42Å; Y230-L354 HydrophobicContact CG-CD2 3.81Å; S348-L354 PolarHBondContact O-N 2.57Å; L354-M356 HydrophobicContact CD2-CE 3.6Å; L354-M356 HydrophobicContact CG-CE 4.06Å; L354-A381 HydrophobicContact CD1-CB 3.78Å; L354-F385 HydrophobicContact CD1-CE2 4.04Å; L354-F385 HydrophobicContact CD1-CZ 4.36Å
355Q90.8Very high93.7Very high125 Ų12560.4 Ų60.458%0.58430%0.299SS*.  trans-119.6130.1176.1-66-177.7-6.900109.8T353 K383 S384T353-Q355 PolarHBondContact O-N 2.8Å; Q355-K383 VanDerWaalsContact C-CE 3.48Å; Q355-K383 WeakPolarHBondContact O-CE 3.33Å; Q355-S384 PolarHBondContact N-OG 3.45Å; Q355-S384 PolarHBondContact O-OG 3Å
356M93.1Very high93.1Very high0 Ų068.3 Ų68.30%034%0.341CS..  trans-137.1151175.3-70.1177.4-75.300108.9Q55 Y230 L354 E376 A380 A381Q55-M356 PolarHBondContact NE2-O 3.49Å; Y230-M356 HydrophobicContact CD2-CE 4.21Å; Y230-M356 HydrophobicContact CD2-SD 4.22Å; Y230-M356 HydrophobicContact CE2-SD 3.98Å; L354-M356 HydrophobicContact CD2-CE 3.6Å; L354-M356 HydrophobicContact CG-CE 4.06Å; M356-E376 HydrophobicContact CB-CB 4.19Å; M356-E376 HydrophobicContact CB-CG 4.21Å; M356-E376 HydrophobicContact CE-CB 4.13Å; M356-E376 HydrophobicContact CE-CG 4.4Å; M356-E376 WeakPolarHBondContact CE-OE2 3.38Å; M356-E376 HydrophobicContact SD-CB 4.1Å; M356-A380 HydrophobicContact CB-CB 3.99Å; M356-A380 HydrophobicContact CG-CB 3.99Å; M356-A381 HydrophobicContact CG-CB 3.9Å; M356-A381 HydrophobicContact SD-CB 3.9Å
357E90.2Very high92.5Very high13 Ų1369.9 Ų69.96%0.06136%0.357CS..  trans-74.8143.3172.2-67.976.5-165.400111R309 Q315 A380 K383R309-E357 IonicContact CZ-OE1 2.77Å; R309-E357 IonicContact NE-OE1 3.98Å; R309-E357 PolarHBondContact NE-OE1 2.99Å; R309-E357 IonicContact NH2-OE1 2.8Å; R309-E357 PolarHBondContact NH2-OE1 3.34Å; Q315-E357 VanDerWaalsContact NE2-CG 3.29Å; E357-A380 WeakPolarHBondContact OE2-CB 3.48Å; E357-K383 VanDerWaalsContact CD-NZ 3.34Å; E357-K383 IonicContact OE1-NZ 3.45Å; E357-K383 PolarHBondContact OE1-NZ 3.1Å; E357-K383 IonicContact OE2-NZ 3.08Å
358I91.7Very high92.1Very high23 Ų2368.1 Ų68.112%0.11837%0.366CS..EExtended strand (participates in β ladder)trans-79.6130.6176-63.5179.7000109.8L52 Q55 V360 L374L52-I358 HydrophobicContact CD1-CD1 3.83Å; L52-I358 HydrophobicContact CD1-CG1 3.74Å; L52-I358 HydrophobicContact CG-CD1 4.29Å; L52-I358 WeakPolarHBondContact O-CD1 3.25Å; Q55-I358 HydrophobicContact CB-CD1 3.66Å; Q55-I358 HydrophobicContact CG-CD1 3.54Å; Q55-I358 HydrophobicContact CG-CG1 4.15Å; I358-V360 HydrophobicContact CG2-CG2 4.02Å; I358-L374 HydrophobicContact CG2-CB 4.33Å; I358-L374 HydrophobicContact CG2-CD2 4.12Å
359I90.8Very high91.8Very high57 Ų5770.4 Ų70.429%0.29238%0.38SS..EExtended strand (participates in β ladder)trans-98.2114.6169.5-58.2175.5000107.2E375 A377I359-E375 HydrophobicContact CB-CB 4.39Å; I359-E375 PolarHBondContact N-O 2.91Å; I359-E375 PolarHBondContact O-N 3.2Å; I359-A377 HydrophobicContact CD1-CB 3.72Å
360V91.9Very high91.8Very high59 Ų5971.5 Ų71.536%0.35839%0.385SS..EExtended strand (participates in β ladder)trans-94.3115.6176.1-173.70000108.4Y56 I358 P362 L372 L374Y56-V360 HydrophobicContact CD2-CG2 3.67Å; Y56-V360 HydrophobicContact CE2-CG1 4.29Å; Y56-V360 HydrophobicContact CE2-CG2 3.66Å; I358-V360 HydrophobicContact CG2-CG2 4.02Å; V360-P362 WeakPolarHBondContact O-CD 3.42Å; V360-L372 HydrophobicContact CG1-CD2 3.89Å; V360-L374 HydrophobicContact CG1-CD2 4.28Å; V360-L374 HydrophobicContact CG2-CD2 4.02Å
361N91.6Very high91.8Very high50 Ų5065.9 Ų65.927%0.26736%0.361SS..EExtended strand (participates in β ladder)trans-11290.3-177.9-170.16.4000110.2K363 Q373N361-K363 VanDerWaalsContact ND2-CE 3.3Å; N361-K363 WeakPolarHBondContact ND2-CE 3.47Å; N361-K363 PolarHBondContact ND2-NZ 3.37Å; N361-Q373 HydrophobicContact CB-CB 4.13Å; N361-Q373 PolarHBondContact N-O 3.34Å; N361-Q373 PolarHBondContact O-N 3.46Å; N361-Q373 VanDerWaalsContact O-N 3.14Å
362P93.1Very high91.7Very high65 Ų6560.3 Ų60.342%0.42234%0.335SS..EExtended strand (participates in β ladder)trans-70.8131.1174.628.4-32.5000110.7V360 I371 L372V360-P362 WeakPolarHBondContact O-CD 3.42Å; P362-I371 WeakPolarHBondContact CA-O 3.44Å; P362-L372 HydrophobicContact CB-CD2 3.93Å
363K93Very high91.8Very high94 Ų9451.9 Ų51.941%0.40930%0.299SS..EExtended strand (participates in β ladder)trans-137162.5175.7-71.3179-178.9155.10110.7N361 I371N361-K363 VanDerWaalsContact ND2-CE 3.3Å; N361-K363 WeakPolarHBondContact ND2-CE 3.47Å; N361-K363 PolarHBondContact ND2-NZ 3.37Å; K363-I371 HydrophobicContact CB-CD1 3.88Å; K363-I371 HydrophobicContact CB-CG1 4.13Å; K363-I371 PolarHBondContact N-O 2.95Å; K363-I371 PolarHBondContact O-N 3.01Å
364T92.9Very high91.9Very high88 Ų8848.9 Ų48.954%0.5428%0.28SS..EExtended strand (participates in β ladder)trans-117126.6169.3-54.80000107.3T369 N370T364-T369 WeakPolarHBondContact CA-O 3.47Å; T364-N370 PolarHBondContact OG1-OD1 2.8Å
365L89.5Confident91.9Very high23 Ų2350 Ų5012%0.1229%0.285CS..  trans-73.1162.8175.9-59.8-177.5000110.5I195 S367 G368 T369 I371I195-L365 HydrophobicContact CD1-CD1 3.94Å; L365-S367 PolarHBondContact O-N 2.84Å; L365-G368 WeakPolarHBondContact O-CA 3.23Å; L365-G368 PolarHBondContact O-N 3.07Å; L365-T369 PolarHBondContact N-O 3.48Å; L365-I371 HydrophobicContact CD1-CG2 3.84Å; L365-I371 HydrophobicContact CD2-CG1 3.99Å; L365-I371 HydrophobicContact CG-CG1 4.07Å; L365-I371 HydrophobicContact CG-CG2 3.93Å
366D85.3Confident92.1Very high166 Ų16644.5 Ų44.589%0.88826%0.259SS*.THydrogen-bonded Turntrans-61.5-24.9175.7-66.1-22.7000112.1G368D366-G368 PolarHBondContact O-N 2.8Å
367S85.5Confident92.1Very high76 Ų7644.7 Ų44.753%0.53126%0.261SS..THydrogen-bonded Turntrans-69.4-4.6170.5610000114.5L365 T369L365-S367 PolarHBondContact O-N 2.84Å; S367-T369 VanDerWaalsContact C-N 3.27Å; S367-T369 PolarHBondContact O-N 2.82Å; S367-T369 PolarHBondContact OG-OG1 3.21Å
368G88.9Confident92.4Very high52 Ų5244.1 Ų44.154%0.53626%0.258SS..SBendtrans82.8-2.3-175.300000114.3L365 D366 N370L365-G368 WeakPolarHBondContact O-CA 3.23Å; L365-G368 PolarHBondContact O-N 3.07Å; D366-G368 PolarHBondContact O-N 2.8Å; G368-N370 PolarHBondContact O-N 2.82Å
369T90.9Very high92.6Very high50 Ų5043 Ų4331%0.30725%0.253SS..  trans-72.8126.3179.4-54.30000110.7T364 L365 S367 I371T364-T369 WeakPolarHBondContact CA-O 3.47Å; L365-T369 PolarHBondContact N-O 3.48Å; S367-T369 VanDerWaalsContact C-N 3.27Å; S367-T369 PolarHBondContact O-N 2.82Å; S367-T369 PolarHBondContact OG-OG1 3.21Å; T369-I371 HydrophobicContact CG2-CG2 4Å
370N95.4Very high92.8Very high52 Ų5240.5 Ų40.528%0.27824%0.24SC..EExtended strand (participates in β ladder)trans-78.3127.8171.5-65.8-37.4000110.1R189 E190 T364 G368R189-N370 HydrophobicContact CB-CB 3.83Å; R189-N370 PolarHBondContact N-O 3.09Å; E190-N370 PolarHBondContact OE1-ND2 3.47Å; T364-N370 PolarHBondContact OG1-OD1 2.8Å; G368-N370 PolarHBondContact O-N 2.82Å
371I95.7Very high93Very high0 Ų037.7 Ų37.70%022%0.223CC..EExtended strand (participates in β ladder)trans-128.4157.1-177.466.393.9000112R186 L187 I195 P362 K363 L365 T369 Q373R186-I371 HydrophobicContact CB-CB 4.44Å; R186-I371 HydrophobicContact CB-CD1 4.36Å; R186-I371 HydrophobicContact CG-CD1 4.12Å; L187-I371 CarbonylContact O-C 3.57Å; L187-I371 WeakPolarHBondContact O-CA 3.47Å; L187-I371 WeakPolarHBondContact O-CB 3.4Å; I195-I371 HydrophobicContact CD1-CG2 4.11Å; I195-I371 HydrophobicContact CG2-CG2 4.45Å; P362-I371 WeakPolarHBondContact CA-O 3.44Å; K363-I371 HydrophobicContact CB-CD1 3.88Å; K363-I371 HydrophobicContact CB-CG1 4.13Å; K363-I371 PolarHBondContact N-O 2.95Å; K363-I371 PolarHBondContact O-N 3.01Å; L365-I371 HydrophobicContact CD1-CG2 3.84Å; L365-I371 HydrophobicContact CD2-CG1 3.99Å; L365-I371 HydrophobicContact CG-CG1 4.07Å; L365-I371 HydrophobicContact CG-CG2 3.93Å; T369-I371 HydrophobicContact CG2-CG2 4Å; I371-Q373 HydrophobicContact CD1-CG 3.72Å
372L94.8Very high93.3Very high9 Ų935.3 Ų35.35%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-116.7136.6171.1-65.3172.4000109.6L187 R189 L192 V360 P362L187-L372 HydrophobicContact CB-CB 4.32Å; L187-L372 PolarHBondContact N-O 3.31Å; L187-L372 VanDerWaalsContact N-O 3.09Å; L187-L372 PolarHBondContact O-N 3.08Å; R189-L372 HydrophobicContact CB-CD1 4.48Å; R189-L372 HydrophobicContact CB-CG 4.1Å; R189-L372 HydrophobicContact CG-CD1 4.23Å; R189-L372 HydrophobicContact CG-CD2 4.21Å; R189-L372 HydrophobicContact CG-CG 4.05Å; L192-L372 HydrophobicContact CD2-CD1 3.67Å; V360-L372 HydrophobicContact CG1-CD2 3.89Å; P362-L372 HydrophobicContact CB-CD2 3.93Å
373Q95.5Very high93.3Very high6 Ų634.2 Ų34.23%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-115.7129.5168.9-70.8172.1-19.400108.1R186 Y222 N361 I371R186-Q373 HydrophobicContact CG-CG 4.07Å; Y222-Q373 HydrophobicContact CD1-CG 3.96Å; Y222-Q373 HydrophobicContact CD2-CB 3.81Å; Y222-Q373 HydrophobicContact CD2-CG 3.77Å; Y222-Q373 HydrophobicContact CE1-CB 4.44Å; Y222-Q373 HydrophobicContact CE1-CG 4.25Å; Y222-Q373 HydrophobicContact CE2-CB 3.72Å; Y222-Q373 HydrophobicContact CE2-CG 4.1Å; Y222-Q373 HydrophobicContact CG-CB 4.27Å; Y222-Q373 HydrophobicContact CG-CG 3.72Å; N361-Q373 HydrophobicContact CB-CB 4.13Å; N361-Q373 PolarHBondContact N-O 3.34Å; N361-Q373 PolarHBondContact O-N 3.46Å; N361-Q373 VanDerWaalsContact O-N 3.14Å; I371-Q373 HydrophobicContact CD1-CG 3.72Å
374L95.1Very high93.4Very high0 Ų030.8 Ų30.80%019%0.187CC..EExtended strand (participates in β ladder)trans-104.4117174.8-54.5-178000108.5L52 F53 Y56 L187 Y222 I358 V360L52-L374 HydrophobicContact CD2-CB 3.69Å; L52-L374 WeakPolarHBondContact CD2-O 3.46Å; L52-L374 HydrophobicContact CG-CB 4.15Å; F53-L374 HydrophobicContact CB-CD1 4.41Å; F53-L374 HydrophobicContact CD2-CD1 3.98Å; Y56-L374 HydrophobicContact CD1-CD1 4.2Å; Y56-L374 HydrophobicContact CD1-CD2 4.39Å; Y56-L374 HydrophobicContact CD2-CD2 3.92Å; Y56-L374 HydrophobicContact CE2-CD2 4.33Å; Y56-L374 HydrophobicContact CG-CD1 4.09Å; Y56-L374 HydrophobicContact CG-CD2 3.94Å; L187-L374 HydrophobicContact CD1-CD1 4.2Å; Y222-L374 VanDerWaalsContact CE2-O 3.25Å; Y222-L374 WeakPolarHBondContact CE2-O 3.33Å; Y222-L374 WeakPolarHBondContact OH-CA 3.5Å; Y222-L374 PolarHBondContact OH-N 2.86Å; Y222-L374 PolarHBondContact OH-O 3.24Å; I358-L374 HydrophobicContact CG2-CB 4.33Å; I358-L374 HydrophobicContact CG2-CD2 4.12Å; V360-L374 HydrophobicContact CG1-CD2 4.28Å; V360-L374 HydrophobicContact CG2-CD2 4.02Å
375E94.7Very high93.5Very high41 Ų4127 Ų2719%0.19216%0.163CC..EExtended strand (participates in β ladder)trans-126.3163.1-177.5-63-178.6-153.300110.3Y222 P224 I359Y222-E375 HydrophobicContact CD2-CG 4.24Å; Y222-E375 HydrophobicContact CE2-CG 3.82Å; P224-E375 WeakPolarHBondContact O-CA 3.37Å; I359-E375 HydrophobicContact CB-CB 4.39Å; I359-E375 PolarHBondContact N-O 2.91Å; I359-E375 PolarHBondContact O-N 3.2Å
376E94.5Very high93.7Very high10 Ų1029.2 Ų29.25%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-123.1149.7169.8-64.9177.2133.900109.2L52 P224 H226 G227 R231 M356L52-E376 HydrophobicContact CD1-CG 3.75Å; P224-E376 PolarHBondContact O-N 3.31Å; P224-E376 VanDerWaalsContact O-N 3.14Å; H226-E376 PolarHBondContact N-O 3.38Å; G227-E376 WeakPolarHBondContact CA-O 3.23Å; G227-E376 PolarHBondContact N-O 3.34Å; R231-E376 IonicContact NE-OE2 2.73Å; R231-E376 IonicContact NH2-OE1 2.68Å; R231-E376 PolarHBondContact NH2-OE1 2.85Å; R231-E376 IonicContact NH2-OE2 3.18Å; R231-E376 PolarHBondContact NH2-OE2 2.77Å; M356-E376 HydrophobicContact CB-CB 4.19Å; M356-E376 HydrophobicContact CB-CG 4.21Å; M356-E376 HydrophobicContact CE-CB 4.13Å; M356-E376 HydrophobicContact CE-CG 4.4Å; M356-E376 WeakPolarHBondContact CE-OE2 3.38Å; M356-E376 HydrophobicContact SD-CB 4.1Å
377A93.9Very high93.9Very high5 Ų523 Ų234%0.04115%0.15CC..  trans-99.5129.6172.800000110.7I359 G379 A380I359-A377 HydrophobicContact CD1-CB 3.72Å; A377-G379 PolarHBondContact O-N 2.92Å; A377-G379 VanDerWaalsContact O-N 3.17Å; A377-A380 HydrophobicContact CB-CB 4.43Å; A377-A380 WeakPolarHBondContact O-CB 3.42Å; A377-A380 PolarHBondContact O-N 3.11Å
378A96.5Very high94.2Very high0 Ų020 Ų200%013%0.13CC..G310 helixtrans-57.5-35.2-179.200000113.8H226 Y230 M252 L338 A380 A381H226-A378 HydrophobicContact CB-CB 4.45Å; H226-A378 PolarHBondContact CE1-N 2.92Å; H226-A378 VanDerWaalsContact ND1-CB 3.29Å; H226-A378 WeakPolarHBondContact ND1-CB 3.3Å; H226-A378 PolarHBondContact ND1-N 3.31Å; H226-A378 WeakPolarHBondContact O-CB 3.45Å; Y230-A378 HydrophobicContact CE2-CB 4.12Å; Y230-A378 PolarHBondContact OH-O 2.99Å; M252-A378 HydrophobicContact CE-CB 3.5Å; M252-A378 VanDerWaalsContact CE-CB 3.5Å; M252-A378 HydrophobicContact SD-CB 4.45Å; L338-A378 HydrophobicContact CD1-CB 4.09Å; A378-A380 VanDerWaalsContact C-N 3.25Å; A378-A380 PolarHBondContact O-N 3.1Å; A378-A381 VanDerWaalsContact O-CB 3.32Å; A378-A381 WeakPolarHBondContact O-CB 3.45Å; A378-A381 PolarHBondContact O-N 2.95Å
379G96Very high94.4Very high0 Ų019.3 Ų19.30%011%0.112CC..G310 helixtrans-66.7-23.5176.200000114.2M286 A377 A381 I382M286-G379 WeakPolarHBondContact CE-O 3.27Å; A377-G379 PolarHBondContact O-N 2.92Å; A377-G379 VanDerWaalsContact O-N 3.17Å; G379-A381 PolarHBondContact O-N 3.21Å; G379-I382 WeakPolarHBondContact O-CB 3.46Å; G379-I382 VanDerWaalsContact O-CG2 3.27Å; G379-I382 WeakPolarHBondContact O-CG2 3.39Å; G379-I382 PolarHBondContact O-N 3.49Å
380A95.1Very high94.7Very high4 Ų416.9 Ų16.93%0.03310%0.098CC..G310 helixtrans-64.9-23.5176.800000112.5M356 E357 A377 A378 I382M356-A380 HydrophobicContact CB-CB 3.99Å; M356-A380 HydrophobicContact CG-CB 3.99Å; E357-A380 WeakPolarHBondContact OE2-CB 3.48Å; A377-A380 HydrophobicContact CB-CB 4.43Å; A377-A380 WeakPolarHBondContact O-CB 3.42Å; A377-A380 PolarHBondContact O-N 3.11Å; A378-A380 VanDerWaalsContact C-N 3.25Å; A378-A380 PolarHBondContact O-N 3.1Å; A380-I382 PolarHBondContact O-N 3.04Å; A380-I382 VanDerWaalsContact O-N 3.14Å
381A96.1Very high94.8Very high0 Ų014.4 Ų14.40%08%0.084CC..G310 helixtrans-65.2-16.9-179.800000113.4Y230 L354 M356 A378 G379 K383 S384 F385Y230-A381 HydrophobicContact CD2-CB 4.35Å; Y230-A381 HydrophobicContact CE1-CB 4.48Å; Y230-A381 HydrophobicContact CE2-CB 3.48Å; Y230-A381 VanDerWaalsContact CE2-CB 3.48Å; L354-A381 HydrophobicContact CD1-CB 3.78Å; M356-A381 HydrophobicContact CG-CB 3.9Å; M356-A381 HydrophobicContact SD-CB 3.9Å; A378-A381 VanDerWaalsContact O-CB 3.32Å; A378-A381 WeakPolarHBondContact O-CB 3.45Å; A378-A381 PolarHBondContact O-N 2.95Å; G379-A381 PolarHBondContact O-N 3.21Å; A381-K383 PolarHBondContact O-N 3.32Å; A381-S384 VanDerWaalsContact O-CB 3.3Å; A381-S384 WeakPolarHBondContact O-CB 3.48Å; A381-S384 PolarHBondContact O-N 2.92Å; A381-S384 PolarHBondContact O-OG 3.22Å; A381-F385 HydrophobicContact CB-CE2 4.02Å; A381-F385 VanDerWaalsContact O-CD2 3.25Å; A381-F385 WeakPolarHBondContact O-CD2 3.42Å
382I96.3Very high94.8Very high0 Ų015.2 Ų15.20%09%0.089CC..G310 helixtrans-50.3-34.9-174.9-169164.7000113.5F284 M286 L301 G379 A380 S384 F385 A388F284-I382 HydrophobicContact CD1-CB 3.85Å; F284-I382 HydrophobicContact CD1-CD1 3.69Å; F284-I382 HydrophobicContact CD1-CG1 3.48Å; F284-I382 VanDerWaalsContact CD1-CG1 3.48Å; F284-I382 HydrophobicContact CE1-CB 3.81Å; F284-I382 HydrophobicContact CE1-CD1 3.94Å; F284-I382 HydrophobicContact CE1-CG1 3.89Å; F284-I382 HydrophobicContact CG-CB 4.42Å; F284-I382 HydrophobicContact CG-CG1 4.13Å; F284-I382 HydrophobicContact CZ-CB 4.34Å; M286-I382 HydrophobicContact CB-CD1 3.97Å; M286-I382 HydrophobicContact CE-CD1 4.27Å; L301-I382 HydrophobicContact CD1-CD1 3.91Å; L301-I382 HydrophobicContact CD1-CG2 4.46Å; G379-I382 WeakPolarHBondContact O-CB 3.46Å; G379-I382 VanDerWaalsContact O-CG2 3.27Å; G379-I382 WeakPolarHBondContact O-CG2 3.39Å; G379-I382 PolarHBondContact O-N 3.49Å; A380-I382 PolarHBondContact O-N 3.04Å; A380-I382 VanDerWaalsContact O-N 3.14Å; I382-S384 PolarHBondContact O-N 3.36Å; I382-F385 PolarHBondContact O-N 2.97Å; I382-A388 HydrophobicContact CD1-CB 4.22Å; I382-A388 HydrophobicContact CG1-CB 3.59Å
383K93.8Very high95Very high43 Ų4314.9 Ų14.919%0.1879%0.087CC..G310 helixtrans-65.4-17.1178.368.5-177.5177.4177.30114.4L308 Q355 E357 A381L308-K383 VanDerWaalsContact O-CA 3.27Å; L308-K383 WeakPolarHBondContact O-CA 3.43Å; L308-K383 WeakPolarHBondContact O-CB 3.38Å; L308-K383 PolarHBondContact O-N 2.96Å; Q355-K383 VanDerWaalsContact C-CE 3.48Å; Q355-K383 WeakPolarHBondContact O-CE 3.33Å; E357-K383 VanDerWaalsContact CD-NZ 3.34Å; E357-K383 IonicContact OE1-NZ 3.45Å; E357-K383 PolarHBondContact OE1-NZ 3.1Å; E357-K383 IonicContact OE2-NZ 3.08Å; A381-K383 PolarHBondContact O-N 3.32Å
384S94.8Very high95Very high22 Ų2217.1 Ų17.115%0.15410%0.102CC..G310 helixtrans-93.11.2-177.8-49.40000113.2Q355 A381 I382Q355-S384 PolarHBondContact N-OG 3.45Å; Q355-S384 PolarHBondContact O-OG 3Å; A381-S384 VanDerWaalsContact O-CB 3.3Å; A381-S384 WeakPolarHBondContact O-CB 3.48Å; A381-S384 PolarHBondContact O-N 2.92Å; A381-S384 PolarHBondContact O-OG 3.22Å; I382-S384 PolarHBondContact O-N 3.36Å
385F95.4Very high94.8Very high7 Ų721.5 Ų21.53%0.03112%0.118CC..SBendtrans-115.3142.1-175.5-71.6-89.4000111.2Y230 E283 F284 I340 A344 L354 A381 I382Y230-F385 HydrophobicContact CE1-CE2 4.48Å; Y230-F385 HydrophobicContact CE1-CZ 4.3Å; E283-F385 HydrophobicContact CB-CB 4.11Å; E283-F385 HydrophobicContact CB-CD1 3.94Å; F284-F385 HydrophobicContact CB-CB 3.55Å; F284-F385 HydrophobicContact CB-CD1 4.31Å; F284-F385 HydrophobicContact CB-CD2 4.01Å; F284-F385 HydrophobicContact CB-CG 3.71Å; F284-F385 HydrophobicContact CD2-CD1 4.48Å; F284-F385 AromaticContact CD2-CD2 3.46Å; F284-F385 HydrophobicContact CD2-CD2 3.46Å; F284-F385 VanDerWaalsContact CD2-CD2 3.46Å; F284-F385 AromaticContact CD2-CE2 3.58Å; F284-F385 HydrophobicContact CD2-CE2 3.58Å; F284-F385 AromaticContact CD2-CG 3.95Å; F284-F385 HydrophobicContact CD2-CG 3.95Å; F284-F385 HydrophobicContact CD2-CZ 4.15Å; F284-F385 HydrophobicContact CE2-CD2 4.24Å; F284-F385 HydrophobicContact CE2-CE2 4.05Å; F284-F385 HydrophobicContact CG-CB 4.44Å; F284-F385 HydrophobicContact CG-CD2 4.06Å; F284-F385 HydrophobicContact CG-CG 4.26Å; I340-F385 HydrophobicContact CG2-CE1 3.97Å; I340-F385 HydrophobicContact CG2-CZ 4Å; A344-F385 HydrophobicContact CB-CD1 3.91Å; A344-F385 HydrophobicContact CB-CE1 3.97Å; L354-F385 HydrophobicContact CD1-CE2 4.04Å; L354-F385 HydrophobicContact CD1-CZ 4.36Å; A381-F385 HydrophobicContact CB-CE2 4.02Å; A381-F385 VanDerWaalsContact O-CD2 3.25Å; A381-F385 WeakPolarHBondContact O-CD2 3.42Å; I382-F385 PolarHBondContact O-N 2.97Å
386N92.7Very high94.7Very high71 Ų7123.7 Ų23.738%0.3814%0.138SC..THydrogen-bonded Turntrans-79.2145-179.5-55-62.9000111.1E283 R347 A388E283-N386 WeakPolarHBondContact CB-O 3.43Å; E283-N386 HydrophobicContact CG-CB 4.41Å; E283-N386 PolarHBondContact N-O 3.24Å; E283-N386 PolarHBondContact OE1-ND2 3.16Å; E283-N386 WeakPolarHBondContact OE2-CB 3.14Å; E283-N386 PolarHBondContact OE2-N 3.39Å; E283-N386 PolarHBondContact OE2-ND2 3.46Å; E283-N386 VanDerWaalsContact OE2-ND2 3.09Å; R347-N386 PolarHBondContact NH2-ND2 2.97Å; N386-A388 PolarHBondContact O-N 2.95Å
387G90.3Very high94.8Very high35 Ų3523.6 Ų23.636%0.36114%0.138SC..THydrogen-bonded Turntrans60.524.6179.400000113.3P282P282-G387 WeakPolarHBondContact CA-O 3.46Å; P282-G387 WeakPolarHBondContact CB-O 3.42Å
388A93Very high94.9Very high14 Ų1425 Ų2512%0.11614%0.143CC..  trans-50.1144.3179.600000111.7F284 L308 I382 N386F284-A388 CarbonylContact O-C 3.59Å; F284-A388 WeakPolarHBondContact O-CA 3.41Å; L308-A388 HydrophobicContact CB-CB 4.43Å; L308-A388 HydrophobicContact CD1-CB 4.24Å; L308-A388 WeakPolarHBondContact CD1-O 3.47Å; I382-A388 HydrophobicContact CD1-CB 4.22Å; I382-A388 HydrophobicContact CG1-CB 3.59Å; N386-A388 PolarHBondContact O-N 2.95Å
389F93.2Very high94.8Very high36 Ų3626.4 Ų26.416%0.15815%0.15CC..EExtended strand (participates in β ladder)trans-144.5149.7-168.2-146.4-93.9000112.4E75 K78 F269 P282 F284 V285 M286E75-F389 WeakPolarHBondContact O-CE2 3.3Å; E75-F389 WeakPolarHBondContact O-CZ 3.18Å; K78-F389 HydrophobicContact CB-CE1 3.62Å; K78-F389 HydrophobicContact CB-CZ 4.2Å; F269-F389 HydrophobicContact CE1-CD1 4.07Å; F269-F389 HydrophobicContact CE1-CE1 4.33Å; F269-F389 HydrophobicContact CZ-CD1 4.05Å; F269-F389 AromaticContact CZ-CE1 3.93Å; F269-F389 HydrophobicContact CZ-CE1 3.93Å; F269-F389 HydrophobicContact CZ-CZ 4.33Å; P282-F389 HydrophobicContact CB-CB 4.06Å; F284-F389 PolarHBondContact O-N 3.41Å; V285-F389 VanDerWaalsContact CA-O 3.27Å; V285-F389 WeakPolarHBondContact CA-O 3.46Å; V285-F389 HydrophobicContact CG2-CB 3.87Å; M286-F389 PolarHBondContact N-O 3.07Å
390G95.7Very high94.7Very high0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-107.6144.3170.800000112.1S76 I77 K78 M286S76-G390 PolarHBondContact O-N 2.81Å; I77-G390 VanDerWaalsContact CA-O 3.27Å; I77-G390 WeakPolarHBondContact CA-O 3.43Å; K78-G390 PolarHBondContact N-O 2.88Å; M286-G390 WeakPolarHBondContact O-CA 3.44Å
391V96.9Very high94.6Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-122.6118.6169.1177.40000108.4K78 L83 V285 M286 E287 V288 V393K78-V391 CarbonylContact O-C 3.2Å; K78-V391 WeakPolarHBondContact O-CA 3.17Å; L83-V391 HydrophobicContact CD1-CG1 3.97Å; V285-V391 HydrophobicContact CG1-CB 4.42Å; V285-V391 HydrophobicContact CG1-CG2 3.63Å; M286-V391 PolarHBondContact O-N 3.28Å; E287-V391 WeakPolarHBondContact CA-O 3.26Å; V288-V391 PolarHBondContact N-O 3Å; V391-V393 HydrophobicContact CG1-CG1 3.85Å; V391-V393 PolarHBondContact O-N 2.95Å
392N97.3Very high94.4Very high17 Ų1731.7 Ų31.79%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-79.9101.3176.2-167.9-6.9000109.5I77 K78 M79 Y80 V288 D290I77-N392 HydrophobicContact CG2-CB 4.29Å; K78-N392 PolarHBondContact O-N 2.63Å; M79-N392 HydrophobicContact SD-CB 3.67Å; Y80-N392 WeakPolarHBondContact CB-O 3.27Å; Y80-N392 PolarHBondContact N-O 2.8Å; V288-N392 HydrophobicContact CG2-CB 4.17Å; V288-N392 CarbonylContact O-C 3.58Å; V288-N392 VanDerWaalsContact O-CA 3.3Å; V288-N392 WeakPolarHBondContact O-CA 3.28Å; V288-N392 PolarHBondContact O-OD1 3.33Å; D290-N392 PolarHBondContact OD1-ND2 3.12Å
393V97.8Very high94.3Very high2 Ų234.6 Ų34.61%0.01219%0.193CC..  trans-94.9151.2-177.2-63.30000112Y80 I266 E287 V288 T289 T335 V391 R397Y80-V393 HydrophobicContact CD2-CG1 4.07Å; I266-V393 HydrophobicContact CD1-CG1 3.99Å; E287-V393 HydrophobicContact CB-CG1 4.04Å; E287-V393 HydrophobicContact CB-CG2 3.9Å; E287-V393 HydrophobicContact CG-CG1 3.87Å; V288-V393 WeakPolarHBondContact O-CG2 3.45Å; V288-V393 PolarHBondContact O-N 3.37Å; T289-V393 WeakPolarHBondContact CB-O 3.48Å; T289-V393 PolarHBondContact OG1-O 3.25Å; T335-V393 HydrophobicContact CG2-CG2 4.25Å; V391-V393 HydrophobicContact CG1-CG1 3.85Å; V391-V393 PolarHBondContact O-N 2.95Å; V393-R397 HydrophobicContact CB-CB 4.37Å; V393-R397 HydrophobicContact CG2-CB 4.06Å
394P95.1Very high94.4Very high52 Ų5232.8 Ų32.834%0.33819%0.186SC..  trans-61.8151.3171.227.3-35.9000111.3Y80 S396 R397Y80-P394 HydrophobicContact CD1-CG 4.3Å; P394-S396 WeakPolarHBondContact CG-OG 3.42Å; P394-S396 PolarHBondContact O-N 3.34Å; P394-R397 PolarHBondContact O-N 3.16Å
395R92.1Very high94.4Very high92 Ų9232.3 Ų32.335%0.34718%0.183SC..G310 helixtrans-59-17.2178.2179.8167-79.9-110.4-8.2113.6D295 R397 F398D295-R395 IonicContact OD1-NH2 3.52Å; D295-R395 IonicContact OD2-CZ 3.96Å; D295-R395 IonicContact OD2-NH1 2.84Å; D295-R395 IonicContact OD2-NH2 3.42Å; D295-R395 PolarHBondContact OD2-NH2 3.47Å; R395-R397 PolarHBondContact O-N 3.35Å; R395-R397 VanDerWaalsContact O-N 3.14Å; R395-F398 CarbonylContact O-C 3.51Å; R395-F398 WeakPolarHBondContact O-CA 2.94Å; R395-F398 PolarHBondContact O-N 3.19Å
396S92.9Very high94.4Very high87 Ų8734.2 Ų34.261%0.60819%0.193SC*.G310 helixtrans-55.6-27.1170.954.20000113.1G259 P394 F398G259-S396 VanDerWaalsContact CA-O 3.29Å; G259-S396 WeakPolarHBondContact CA-O 3.14Å; P394-S396 WeakPolarHBondContact CG-OG 3.42Å; P394-S396 PolarHBondContact O-N 3.34Å; S396-F398 VanDerWaalsContact C-N 3.34Å
397R96.2Very high94.5Very high9 Ų930.9 Ų30.93%0.03418%0.175CC..G310 helixtrans-84.6-6.3174.9-63.2-16956.473.62.1114.4N257 G259 T261 D263 E287 N337 V393 P394 R395N257-R397 PolarHBondContact ND2-O 2.75Å; N257-R397 PolarHBondContact OD1-O 3.37Å; G259-R397 CarbonylContact C-O 3.6Å; G259-R397 WeakPolarHBondContact O-CA 3.47Å; T261-R397 PolarHBondContact O-NH1 3.17Å; T261-R397 PolarHBondContact O-NH2 3.1Å; T261-R397 PolarHBondContact OG1-NH1 3.49Å; D263-R397 IonicContact OD2-CZ 2.73Å; D263-R397 IonicContact OD2-NE 3.53Å; D263-R397 IonicContact OD2-NH1 2.8Å; E287-R397 IonicContact OE1-CZ 2.7Å; E287-R397 IonicContact OE1-NE 3.39Å; E287-R397 PolarHBondContact OE1-NE 3.2Å; E287-R397 IonicContact OE1-NH2 3.53Å; E287-R397 PolarHBondContact OE1-NH2 3.41Å; E287-R397 IonicContact OE2-CZ 2.7Å; E287-R397 IonicContact OE2-NE 3.9Å; E287-R397 PolarHBondContact OE2-NE 3.23Å; E287-R397 IonicContact OE2-NH2 3.71Å; E287-R397 PolarHBondContact OE2-NH2 3.46Å; N337-R397 PolarHBondContact ND2-O 2.91Å; V393-R397 HydrophobicContact CB-CB 4.37Å; V393-R397 HydrophobicContact CG2-CB 4.06Å; P394-R397 PolarHBondContact O-N 3.16Å; R395-R397 PolarHBondContact O-N 3.35Å; R395-R397 VanDerWaalsContact O-N 3.14Å
398F95.5Very high94.8Very high34 Ų3429.2 Ų29.215%0.14916%0.158CC..  trans-122.680.7178.7-170.7-106.6000110.7T289 F333 T335 R395 S396 P400T289-F398 HydrophobicContact CG2-CB 4.24Å; T289-F398 HydrophobicContact CG2-CG 4.43Å; F333-F398 HydrophobicContact CE2-CD1 4.11Å; F333-F398 AromaticContact CE2-CE1 3.54Å; F333-F398 HydrophobicContact CE2-CE1 3.54Å; F333-F398 HydrophobicContact CE2-CE2 4.1Å; F333-F398 AromaticContact CE2-CZ 3.51Å; F333-F398 HydrophobicContact CE2-CZ 3.51Å; F333-F398 AromaticContact CZ-CD1 3.6Å; F333-F398 HydrophobicContact CZ-CD1 3.6Å; F333-F398 AromaticContact CZ-CE1 3.37Å; F333-F398 HydrophobicContact CZ-CE1 3.37Å; F333-F398 HydrophobicContact CZ-CG 4.28Å; F333-F398 AromaticContact CZ-CZ 3.87Å; F333-F398 HydrophobicContact CZ-CZ 3.87Å; T335-F398 HydrophobicContact CG2-CB 4.05Å; T335-F398 HydrophobicContact CG2-CD2 3.92Å; T335-F398 HydrophobicContact CG2-CG 4.16Å; T335-F398 WeakPolarHBondContact O-CE2 3.47Å; R395-F398 CarbonylContact O-C 3.51Å; R395-F398 WeakPolarHBondContact O-CA 2.94Å; R395-F398 PolarHBondContact O-N 3.19Å; S396-F398 VanDerWaalsContact C-N 3.34Å; F398-P400 HydrophobicContact CD1-CG 4.24Å; F398-P400 HydrophobicContact CE1-CG 3.73Å; F398-P400 HydrophobicContact CE2-CG 4.13Å; F398-P400 HydrophobicContact CZ-CG 3.68Å; F398-P400 WeakPolarHBondContact O-CD 3.45Å
399L94.2Very high94.9Very high30 Ų3029.4 Ų29.416%0.15716%0.157CC..  trans-120.666.8176.6-17161.2000110.6N257 L258 V410 Y415 L422N257-L399 PolarHBondContact OD1-N 3.4Å; N257-L399 PolarHBondContact OD1-O 2.96Å; L258-L399 HydrophobicContact CB-CD2 4.28Å; L258-L399 PolarHBondContact N-O 3.16Å; L399-V410 HydrophobicContact CD1-CG1 4.43Å; L399-V410 HydrophobicContact CD2-CG1 4.11Å; L399-V410 HydrophobicContact CG-CG1 4.29Å; L399-Y415 HydrophobicContact CD1-CE1 4.44Å; L399-Y415 WeakPolarHBondContact CD1-OH 3.28Å; L399-Y415 HydrophobicContact CD2-CD1 4.28Å; L399-Y415 HydrophobicContact CD2-CE1 3.68Å; L399-L422 HydrophobicContact CD2-CB 4.45Å; L399-L422 HydrophobicContact CD2-CD1 4.45Å
400P94.1Very high95Very high30 Ų3027.8 Ų27.820%0.19515%0.15CC..BIsolated β-bridgetrans-72.7135.4176.332-35.9000111.2D256 F398 K402D256-P400 CarbonylContact O-C 3.14Å; D256-P400 WeakPolarHBondContact O-CA 3.26Å; F398-P400 HydrophobicContact CD1-CG 4.24Å; F398-P400 HydrophobicContact CE1-CG 3.73Å; F398-P400 HydrophobicContact CE2-CG 4.13Å; F398-P400 HydrophobicContact CZ-CG 3.68Å; F398-P400 WeakPolarHBondContact O-CD 3.45Å; P400-K402 HydrophobicContact CB-CG 4.38Å
401V94.1Very high95Very high0 Ų029.9 Ų29.90%016%0.16CC..  trans-104.598.2173.2-178.30000108.8K118 F129 D256 L258 D406 L407 V410K118-V401 WeakPolarHBondContact CE-O 2.96Å; K118-V401 PolarHBondContact NZ-O 2.92Å; F129-V401 HydrophobicContact CE1-CB 3.8Å; F129-V401 HydrophobicContact CE1-CG1 4.44Å; F129-V401 HydrophobicContact CE1-CG2 3.91Å; F129-V401 HydrophobicContact CZ-CB 3.62Å; F129-V401 HydrophobicContact CZ-CG1 3.82Å; F129-V401 HydrophobicContact CZ-CG2 4.12Å; D256-V401 PolarHBondContact O-N 3.12Å; L258-V401 HydrophobicContact CD1-CG2 3.67Å; L258-V401 HydrophobicContact CG-CG2 4.36Å; V401-D406 HydrophobicContact CB-CB 4.32Å; V401-D406 HydrophobicContact CG1-CB 3.99Å; V401-L407 HydrophobicContact CG1-CB 4.29Å; V401-L407 HydrophobicContact CG1-CD1 4.27Å; V401-V410 HydrophobicContact CG2-CG1 4.07Å; V401-V410 HydrophobicContact CG2-CG2 4.21Å
402K91.2Very high94.9Very high85 Ų8530 Ų3037%0.3716%0.161SC..  trans-103.2-28.5-176.8-60.7-56.6-172-177.90112.8D256 P400 D406D256-K402 VanDerWaalsContact CG-NZ 3.33Å; D256-K402 IonicContact OD1-NZ 3.87Å; D256-K402 PolarHBondContact OD1-NZ 2.81Å; D256-K402 WeakPolarHBondContact OD2-CD 3.42Å; D256-K402 WeakPolarHBondContact OD2-CE 3.43Å; D256-K402 IonicContact OD2-NZ 3.97Å; D256-K402 PolarHBondContact OD2-NZ 3.18Å; P400-K402 HydrophobicContact CB-CG 4.38Å; K402-D406 PolarHBondContact N-OD2 3.13Å
403T93.7Very high94.9Very high60 Ų6032 Ų3237%0.36817%0.172SC..SBendtrans-129.8168.2-174.369.40000111.3S405 D406 L407T403-S405 PolarHBondContact O-N 2.84Å; T403-S405 PolarHBondContact OG1-N 2.83Å; T403-D406 PolarHBondContact N-OD2 2.69Å; T403-D406 WeakPolarHBondContact O-CB 3.45Å; T403-D406 PolarHBondContact O-N 3.48Å; T403-D406 VanDerWaalsContact OG1-CG 3.29Å; T403-D406 PolarHBondContact OG1-N 2.68Å; T403-D406 PolarHBondContact OG1-OD2 3.13Å; T403-L407 PolarHBondContact O-N 3Å; T403-L407 VanDerWaalsContact O-N 3.07Å
404T95.4Very high94.8Very high5 Ų531.9 Ų31.93%0.03117%0.171CC..Hα-helixtrans-68.5-19.1171.5500000113.2L407 L408 F442 V445 F448T404-L407 PolarHBondContact O-N 3.34Å; T404-L408 PolarHBondContact O-N 3.38Å; T404-F442 VanDerWaalsContact CB-O 3.23Å; T404-F442 WeakPolarHBondContact CB-O 3.33Å; T404-F442 WeakPolarHBondContact CG2-O 3.15Å; T404-F442 PolarHBondContact OG1-O 3.31Å; T404-V445 HydrophobicContact CG2-CG2 4.41Å; T404-F448 HydrophobicContact CG2-CB 3.92Å; T404-F448 HydrophobicContact CG2-CG 4.13Å
405S96.1Very high94.8Very high13 Ų1330 Ų309%0.09116%0.157CC..Hα-helixtrans-67.5-42.5170.7-59.10000110.8T403 L407 L408 L409 V436 L438T403-S405 PolarHBondContact O-N 2.84Å; T403-S405 PolarHBondContact OG1-N 2.83Å; S405-L407 VanDerWaalsContact C-N 3.31Å; S405-L408 PolarHBondContact O-N 2.78Å; S405-L409 PolarHBondContact O-N 3.43Å; S405-V436 WeakPolarHBondContact CB-O 3.35Å; S405-L438 PolarHBondContact OG-N 3.11Å
406D94.6Very high94.9Very high47 Ų4728.4 Ų28.425%0.25116%0.158SC..Hα-helixtrans-65.8-38.7173.7-48.1-45.8000110.8V401 K402 T403 L408 L409 V410V401-D406 HydrophobicContact CB-CB 4.32Å; V401-D406 HydrophobicContact CG1-CB 3.99Å; K402-D406 PolarHBondContact N-OD2 3.13Å; T403-D406 PolarHBondContact N-OD2 2.69Å; T403-D406 WeakPolarHBondContact O-CB 3.45Å; T403-D406 PolarHBondContact O-N 3.48Å; T403-D406 VanDerWaalsContact OG1-CG 3.29Å; T403-D406 PolarHBondContact OG1-N 2.68Å; T403-D406 PolarHBondContact OG1-OD2 3.13Å; D406-L408 VanDerWaalsContact C-N 3.34Å; D406-L408 PolarHBondContact O-N 2.96Å; D406-L409 WeakPolarHBondContact O-CB 3.46Å; D406-L409 PolarHBondContact O-N 3.14Å; D406-V410 PolarHBondContact O-N 3.08Å; D406-V410 VanDerWaalsContact O-N 3.16Å
407L95Very high95Very high1 Ų126.4 Ų26.41%0.00514%0.14CC..Hα-helixtrans-60.7-43.1177.1-167.663.9000111.5V123 V401 T403 T404 S405 L409 V410 M411 V445 F448V123-L407 HydrophobicContact CG1-CD1 4.47Å; V401-L407 HydrophobicContact CG1-CB 4.29Å; V401-L407 HydrophobicContact CG1-CD1 4.27Å; T403-L407 PolarHBondContact O-N 3Å; T403-L407 VanDerWaalsContact O-N 3.07Å; T404-L407 PolarHBondContact O-N 3.34Å; S405-L407 VanDerWaalsContact C-N 3.31Å; L407-L409 VanDerWaalsContact C-N 3.3Å; L407-L409 PolarHBondContact O-N 3.46Å; L407-V410 HydrophobicContact CD1-CG2 4.22Å; L407-V410 VanDerWaalsContact O-CG2 3.28Å; L407-V410 WeakPolarHBondContact O-CG2 3.4Å; L407-V410 PolarHBondContact O-N 3.48Å; L407-M411 HydrophobicContact CD1-CG 4.38Å; L407-M411 HydrophobicContact CD1-SD 4.36Å; L407-M411 HydrophobicContact CD2-SD 4.25Å; L407-M411 HydrophobicContact CG-CG 4.25Å; L407-M411 HydrophobicContact CG-SD 3.79Å; L407-M411 VanDerWaalsContact O-CB 3.26Å; L407-M411 WeakPolarHBondContact O-CB 3.22Å; L407-M411 WeakPolarHBondContact O-CG 3.41Å; L407-M411 PolarHBondContact O-N 2.9Å; L407-V445 HydrophobicContact CD2-CG1 4.47Å; L407-F448 HydrophobicContact CD2-CD1 4.03Å; L407-F448 HydrophobicContact CD2-CE1 3.8Å; L407-F448 HydrophobicContact CG-CE1 4.18Å
408L97Very high94.9Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-58.5-42.9176.4-178.159.1000111.9T404 S405 D406 S412 V436 L438 F448 F452 I455 P456 L458 L464T404-L408 PolarHBondContact O-N 3.38Å; S405-L408 PolarHBondContact O-N 2.78Å; D406-L408 VanDerWaalsContact C-N 3.34Å; D406-L408 PolarHBondContact O-N 2.96Å; L408-S412 WeakPolarHBondContact O-CB 3.41Å; L408-S412 PolarHBondContact O-N 3.16Å; L408-S412 VanDerWaalsContact O-N 3.16Å; L408-V436 HydrophobicContact CD2-CG1 4.02Å; L408-L438 HydrophobicContact CB-CD1 4.33Å; L408-L438 HydrophobicContact CD2-CD1 4.06Å; L408-L438 HydrophobicContact CD2-CD2 4.08Å; L408-L438 HydrophobicContact CD2-CG 4.49Å; L408-F448 HydrophobicContact CB-CE2 3.87Å; L408-F448 HydrophobicContact CB-CZ 3.99Å; L408-F448 HydrophobicContact CD1-CE2 4.13Å; L408-F448 HydrophobicContact CD1-CZ 4.12Å; L408-F448 HydrophobicContact CG-CE2 4.44Å; L408-F452 HydrophobicContact CD1-CE1 4.32Å; L408-F452 HydrophobicContact CD1-CE2 4.35Å; L408-F452 HydrophobicContact CD1-CZ 4.16Å; L408-F452 HydrophobicContact CD2-CE1 4.49Å; L408-F452 HydrophobicContact CD2-CE2 4.36Å; L408-F452 HydrophobicContact CD2-CZ 3.86Å; L408-I455 HydrophobicContact CD1-CD1 4.24Å; L408-I455 HydrophobicContact CD1-CG2 4.07Å; L408-P456 HydrophobicContact CD1-CG 4.31Å; L408-L458 HydrophobicContact CG-CD1 4.07Å; L408-L464 HydrophobicContact CD2-CD2 3.95Å
409L95.8Very high94.6Very high18 Ų1830 Ų309%0.09417%0.168CC..Hα-helixtrans-59.1-54.2177.5-71.1170.6000111.1S405 D406 L407 M411 S412 L414 Y415 V433 P434 V436S405-L409 PolarHBondContact O-N 3.43Å; D406-L409 WeakPolarHBondContact O-CB 3.46Å; D406-L409 PolarHBondContact O-N 3.14Å; L407-L409 VanDerWaalsContact C-N 3.3Å; L407-L409 PolarHBondContact O-N 3.46Å; L409-M411 VanDerWaalsContact C-N 3.32Å; L409-M411 PolarHBondContact O-N 3.29Å; L409-S412 PolarHBondContact O-N 3.13Å; L409-S412 PolarHBondContact O-OG 3.33Å; L409-L414 HydrophobicContact CD2-CD2 3.8Å; L409-Y415 HydrophobicContact CB-CE2 4.41Å; L409-Y415 WeakPolarHBondContact O-CD2 3.2Å; L409-V433 HydrophobicContact CD1-CG1 4Å; L409-V433 HydrophobicContact CD2-CG1 4.41Å; L409-P434 HydrophobicContact CD2-CG 3.73Å; L409-V436 HydrophobicContact CD1-CG2 4.44Å; L409-V436 HydrophobicContact CD2-CB 4.41Å; L409-V436 HydrophobicContact CD2-CG2 3.51Å; L409-V436 HydrophobicContact CG-CB 4.32Å; L409-V436 HydrophobicContact CG-CG2 3.9Å
410V94.8Very high94.4Very high2 Ų228.5 Ų28.51%0.01216%0.16CC..Hα-helixtrans-70.8-26.3-175.4-59.60000113.6V123 R124 L258 L399 V401 D406 L407 Y415 L422V123-V410 HydrophobicContact CG1-CB 4.43Å; V123-V410 HydrophobicContact CG1-CG2 3.67Å; R124-V410 PolarHBondContact NH1-O 3.32Å; L258-V410 HydrophobicContact CD1-CB 4.37Å; L258-V410 HydrophobicContact CD1-CG1 4.15Å; L258-V410 HydrophobicContact CD1-CG2 4.42Å; L399-V410 HydrophobicContact CD1-CG1 4.43Å; L399-V410 HydrophobicContact CD2-CG1 4.11Å; L399-V410 HydrophobicContact CG-CG1 4.29Å; V401-V410 HydrophobicContact CG2-CG1 4.07Å; V401-V410 HydrophobicContact CG2-CG2 4.21Å; D406-V410 PolarHBondContact O-N 3.08Å; D406-V410 VanDerWaalsContact O-N 3.16Å; L407-V410 HydrophobicContact CD1-CG2 4.22Å; L407-V410 VanDerWaalsContact O-CG2 3.28Å; L407-V410 WeakPolarHBondContact O-CG2 3.4Å; L407-V410 PolarHBondContact O-N 3.48Å; V410-Y415 HydrophobicContact CG1-CE2 4.45Å; V410-L422 HydrophobicContact CB-CD1 3.95Å; V410-L422 HydrophobicContact CG1-CD1 4.21Å
411M95.1Very high94.4Very high43 Ų4329 Ų2921%0.21217%0.165CC..Hα-helixtrans-73.7-26.3173.9-76.9-176.592.700113.2V123 L407 L409 F448 L449 I455V123-M411 WeakPolarHBondContact O-CG 3.22Å; L407-M411 HydrophobicContact CD1-CG 4.38Å; L407-M411 HydrophobicContact CD1-SD 4.36Å; L407-M411 HydrophobicContact CD2-SD 4.25Å; L407-M411 HydrophobicContact CG-CG 4.25Å; L407-M411 HydrophobicContact CG-SD 3.79Å; L407-M411 VanDerWaalsContact O-CB 3.26Å; L407-M411 WeakPolarHBondContact O-CB 3.22Å; L407-M411 WeakPolarHBondContact O-CG 3.41Å; L407-M411 PolarHBondContact O-N 2.9Å; L409-M411 VanDerWaalsContact C-N 3.32Å; L409-M411 PolarHBondContact O-N 3.29Å; M411-F448 HydrophobicContact SD-CE1 3.7Å; M411-F448 HydrophobicContact SD-CZ 4.09Å; M411-L449 HydrophobicContact CE-CD2 4Å; M411-L449 HydrophobicContact SD-CD2 4.47Å; M411-I455 HydrophobicContact CB-CD1 3.93Å; M411-I455 HydrophobicContact CB-CG1 3.97Å; M411-I455 HydrophobicContact CB-CG2 4.2Å; M411-I455 HydrophobicContact CE-CD1 3.84Å; M411-I455 HydrophobicContact CE-CG1 4.15Å; M411-I455 HydrophobicContact CG-CD1 4.48Å; M411-I455 HydrophobicContact SD-CD1 3.82Å
412S95.9Very high94.4Very high3 Ų330 Ų302%0.02117%0.17CC..SBendtrans-76.4171-174.775.20000113.5R124 L408 L409 L414 Y415R124-S412 PolarHBondContact NH1-O 3.25Å; L408-S412 WeakPolarHBondContact O-CB 3.41Å; L408-S412 PolarHBondContact O-N 3.16Å; L408-S412 VanDerWaalsContact O-N 3.16Å; L409-S412 PolarHBondContact O-N 3.13Å; L409-S412 PolarHBondContact O-OG 3.33Å; S412-L414 PolarHBondContact O-N 3.21Å; S412-L414 WeakPolarHBondContact OG-CB 3.29Å; S412-L414 PolarHBondContact OG-N 2.71Å; S412-Y415 PolarHBondContact O-N 3.33Å
413N95.6Very high94.5Very high59 Ų5929 Ų2932%0.31617%0.174SC..THydrogen-bonded Turntrans-67.3-3.917166.7-26000113.8Y415 S425 D457 L458N413-Y415 PolarHBondContact O-N 3.48Å; N413-S425 WeakPolarHBondContact O-CB 3.05Å; N413-D457 PolarHBondContact ND2-OD1 2.97Å; N413-D457 PolarHBondContact OD1-OD1 3.17Å; N413-L458 PolarHBondContact OD1-N 3.14Å
414L96.1Very high94.4Very high0 Ų029.1 Ų29.10%017%0.172CC..THydrogen-bonded Turntrans-59.8-33.9170.4-178.566.9000111.9L409 S412 L424 S425 R428 V433 P434L409-L414 HydrophobicContact CD2-CD2 3.8Å; S412-L414 PolarHBondContact O-N 3.21Å; S412-L414 WeakPolarHBondContact OG-CB 3.29Å; S412-L414 PolarHBondContact OG-N 2.71Å; L414-L424 HydrophobicContact CD1-CD2 4.14Å; L414-L424 HydrophobicContact CD2-CD2 4.5Å; L414-L424 HydrophobicContact CG-CD2 3.98Å; L414-S425 WeakPolarHBondContact O-CB 3.35Å; L414-S425 PolarHBondContact O-N 3.3Å; L414-R428 HydrophobicContact CD1-CG 4.25Å; L414-V433 HydrophobicContact CD2-CG1 4.46Å; L414-P434 VanDerWaalsContact CD2-CD 3.48Å; L414-P434 HydrophobicContact CD2-CG 3.79Å
415Y95.4Very high94.4Very high11 Ų1129.4 Ų29.44%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-108.5151.3175.4-70.1-89.8000110.6R124 L399 L409 V410 S412 N413 L422 S423 L424R124-Y415 VanDerWaalsContact NH1-C 3.3Å; R124-Y415 PolarHBondContact NH1-O 3.23Å; R124-Y415 PolarHBondContact NH2-O 2.84Å; L399-Y415 HydrophobicContact CD1-CE1 4.44Å; L399-Y415 WeakPolarHBondContact CD1-OH 3.28Å; L399-Y415 HydrophobicContact CD2-CD1 4.28Å; L399-Y415 HydrophobicContact CD2-CE1 3.68Å; L409-Y415 HydrophobicContact CB-CE2 4.41Å; L409-Y415 WeakPolarHBondContact O-CD2 3.2Å; V410-Y415 HydrophobicContact CG1-CE2 4.45Å; S412-Y415 PolarHBondContact O-N 3.33Å; N413-Y415 PolarHBondContact O-N 3.48Å; Y415-L422 HydrophobicContact CD1-CB 4.15Å; Y415-S423 CarbonylContact C-O 3.56Å; Y415-S423 WeakPolarHBondContact CA-O 3.31Å; Y415-S423 WeakPolarHBondContact CD1-O 3.48Å; Y415-L424 HydrophobicContact CD1-CD2 4.3Å; Y415-L424 HydrophobicContact CE1-CD2 3.81Å; Y415-L424 HydrophobicContact CE1-CG 4.04Å; Y415-L424 HydrophobicContact CE2-CD2 4.34Å
416V94.7Very high94.3Very high59 Ų5934.3 Ų34.336%0.35821%0.205SC..EExtended strand (participates in β ladder)trans-111.1135.7168.3178.50000108.1L422 S423V416-L422 WeakPolarHBondContact O-CA 3.37Å; V416-S423 PolarHBondContact N-O 3.49Å; V416-S423 PolarHBondContact O-N 3.22Å
417L94.7Very high94.3Very high45 Ų4538.2 Ų38.224%0.23623%0.225CC..EExtended strand (participates in β ladder)trans-98.7120.7176175.364.9000109.2R124 L127 L132 S421 L422R124-L417 HydrophobicContact CG-CD2 4.28Å; L127-L417 HydrophobicContact CD1-CD2 3.87Å; L132-L417 HydrophobicContact CD2-CD1 3.54Å; L132-L417 HydrophobicContact CD2-CD2 4.17Å; L417-S421 WeakPolarHBondContact CA-O 3.45Å; L417-L422 HydrophobicContact CB-CD2 3.96Å; L417-L422 HydrophobicContact CD1-CD2 4.02Å
418D93.4Very high94.2Very high91 Ų9139.2 Ų39.249%0.48723%0.229SC..EExtended strand (participates in β ladder)trans-136.9122.3174.4178.637.4000110.6R139 G420 S421R139-D418 IonicContact CZ-OD2 3.08Å; R139-D418 IonicContact NH1-OD1 2.65Å; R139-D418 PolarHBondContact NH1-OD1 2.81Å; R139-D418 IonicContact NH1-OD2 3.49Å; R139-D418 PolarHBondContact NH1-OD2 2.97Å; R139-D418 IonicContact NH2-OD2 2.67Å; R139-D418 PolarHBondContact NH2-OD2 2.89Å; D418-G420 VanDerWaalsContact C-N 3.27Å; D418-G420 PolarHBondContact O-N 3.41Å; D418-S421 PolarHBondContact N-O 3.01Å; D418-S421 WeakPolarHBondContact O-CB 3.32Å; D418-S421 PolarHBondContact O-N 2.98Å
419G89.6Confident93.8Very high27 Ų2743.7 Ų43.728%0.27826%0.26SS..THydrogen-bonded Turntrans48.443.7-178.400000114.4S421G419-S421 PolarHBondContact O-N 3.29Å
420G90.6Very high93.5Very high0 Ų048.9 Ų48.90%028%0.282CS..THydrogen-bonded Turntrans78.2-8.2-177.400000115.6Q136 D418Q136-G420 PolarHBondContact NE2-O 3.43Å; D418-G420 VanDerWaalsContact C-N 3.27Å; D418-G420 PolarHBondContact O-N 3.41Å
421S93.8Very high93Very high41 Ų4154.3 Ų54.329%0.28732%0.318SS..EExtended strand (participates in β ladder)trans-95.6139.9179.2-61.20000111.5L417 D418 G419L417-S421 WeakPolarHBondContact CA-O 3.45Å; D418-S421 PolarHBondContact N-O 3.01Å; D418-S421 WeakPolarHBondContact O-CB 3.32Å; D418-S421 PolarHBondContact O-N 2.98Å; G419-S421 PolarHBondContact O-N 3.29Å
422L93.6Very high92.6Very high21 Ų2155.5 Ų55.511%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-100.1128173-69.1175.3000110.2L258 L399 V410 Y415 V416 L417L258-L422 HydrophobicContact CB-CD1 4.23Å; L258-L422 HydrophobicContact CD1-CD1 3.55Å; L258-L422 HydrophobicContact CG-CD1 4.4Å; L399-L422 HydrophobicContact CD2-CB 4.45Å; L399-L422 HydrophobicContact CD2-CD1 4.45Å; V410-L422 HydrophobicContact CB-CD1 3.95Å; V410-L422 HydrophobicContact CG1-CD1 4.21Å; Y415-L422 HydrophobicContact CD1-CB 4.15Å; V416-L422 WeakPolarHBondContact O-CA 3.37Å; L417-L422 HydrophobicContact CB-CD2 3.96Å; L417-L422 HydrophobicContact CD1-CD2 4.02Å
423S93.1Very high92.3Very high64 Ų6458.5 Ų58.545%0.44835%0.348SS..EExtended strand (participates in β ladder)trans-124.4152.5171.656.30000109.8Y415 V416Y415-S423 CarbonylContact C-O 3.56Å; Y415-S423 WeakPolarHBondContact CA-O 3.31Å; Y415-S423 WeakPolarHBondContact CD1-O 3.48Å; V416-S423 PolarHBondContact N-O 3.49Å; V416-S423 PolarHBondContact O-N 3.22Å
424L93Very high92.2Very high62 Ų6256 Ų5633%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-62139.6172.2-79169.3000109.5L414 Y415 P431 V433L414-L424 HydrophobicContact CD1-CD2 4.14Å; L414-L424 HydrophobicContact CD2-CD2 4.5Å; L414-L424 HydrophobicContact CG-CD2 3.98Å; Y415-L424 HydrophobicContact CD1-CD2 4.3Å; Y415-L424 HydrophobicContact CE1-CD2 3.81Å; Y415-L424 HydrophobicContact CE1-CG 4.04Å; Y415-L424 HydrophobicContact CE2-CD2 4.34Å; L424-P431 WeakPolarHBondContact CD1-O 3.38Å; L424-V433 HydrophobicContact CD2-CG2 4.43Å
425S95Very high92.1Very high10 Ų1060.1 Ų60.17%0.0736%0.357CS..  trans-59.2133.1179.2178.60000110.4N413 L414 L427 R428N413-S425 WeakPolarHBondContact O-CB 3.05Å; L414-S425 WeakPolarHBondContact O-CB 3.35Å; L414-S425 PolarHBondContact O-N 3.3Å; S425-L427 PolarHBondContact O-N 3.04Å; S425-L427 VanDerWaalsContact O-N 3.16Å; S425-L427 PolarHBondContact OG-N 3.13Å; S425-R428 WeakPolarHBondContact O-CB 3.34Å; S425-R428 PolarHBondContact O-N 2.97Å
426P93.7Very high92.2Very high117 Ų11760.3 Ų60.376%0.7636%0.359SS*.THydrogen-bonded Turntrans-65.5-15.9174.828.4-35.2000112.5R428P426-R428 PolarHBondContact O-N 2.79Å
427L94.6Very high92.3Very high129 Ų12963.1 Ų63.168%0.67537%0.366SS*.THydrogen-bonded Turntrans-79.2-7.8175.3-56.5175.8000112.7S425 S429 L459S425-L427 PolarHBondContact O-N 3.04Å; S425-L427 VanDerWaalsContact O-N 3.16Å; S425-L427 PolarHBondContact OG-N 3.13Å; L427-S429 PolarHBondContact O-N 2.9Å; L427-L459 HydrophobicContact CB-CD1 4.15Å; L427-L459 HydrophobicContact CB-CD2 3.63Å; L427-L459 HydrophobicContact CB-CG 4.43Å; L427-L459 HydrophobicContact CD1-CD2 4.44Å
428R93Very high92.4Very high22 Ų2262 Ų628%0.08336%0.361CS..  trans-75121.9178.3177.765.9179.3-164.75.6109.4L414 S425 P426 F430 S432 L458 L459 L461 D462L414-R428 HydrophobicContact CD1-CG 4.25Å; S425-R428 WeakPolarHBondContact O-CB 3.34Å; S425-R428 PolarHBondContact O-N 2.97Å; P426-R428 PolarHBondContact O-N 2.79Å; R428-F430 VanDerWaalsContact C-N 3.3Å; R428-F430 WeakPolarHBondContact CG-O 3.13Å; R428-F430 PolarHBondContact NE-O 2.62Å; R428-F430 PolarHBondContact O-N 3.38Å; R428-S432 PolarHBondContact NH2-O 2.88Å; R428-L458 PolarHBondContact NH1-O 2.91Å; R428-L459 HydrophobicContact CB-CD1 4.09Å; R428-L459 WeakPolarHBondContact CD-O 3.2Å; R428-L459 PolarHBondContact NH1-O 2.98Å; R428-L461 PolarHBondContact NH1-O 2.77Å; R428-L461 PolarHBondContact NH2-O 3.26Å; R428-D462 IonicContact NH2-OD1 3.46Å
429S89.1Confident92.5Very high93 Ų9358.6 Ų58.665%0.6535%0.347SS*.SBendtrans-64.9-29.7-177.5-51.70000114.4L427L427-S429 PolarHBondContact O-N 2.9Å
430F88.1Confident92.8Very high127 Ų12761.8 Ų61.856%0.55737%0.365SS*.SBendtrans-130.7136.5-177-56-74.8000111.7R428 S432R428-F430 VanDerWaalsContact C-N 3.3Å; R428-F430 WeakPolarHBondContact CG-O 3.13Å; R428-F430 PolarHBondContact NE-O 2.62Å; R428-F430 PolarHBondContact O-N 3.38Å; F430-S432 PolarHBondContact O-N 3.27Å
431P84.1Confident93.1Very high117 Ų11765.2 Ų65.276%0.7638%0.381SS*.SBendtrans-68-9.8-176.428.5-35.9000113.9L424L424-P431 WeakPolarHBondContact CD1-O 3.38Å
432S86.9Confident93.3Very high68 Ų6863.3 Ų63.348%0.47637%0.367SS..SBendtrans-71.4132178.354.80000112.1R428 F430R428-S432 PolarHBondContact NH2-O 2.88Å; F430-S432 PolarHBondContact O-N 3.27Å
433V91.2Very high93.3Very high65 Ų6568.5 Ų68.539%0.39439%0.389SS..PPolyproline II helixtrans-74.2131.5172-178.60000109.5L409 L414 L424L409-V433 HydrophobicContact CD1-CG1 4Å; L409-V433 HydrophobicContact CD2-CG1 4.41Å; L414-V433 HydrophobicContact CD2-CG1 4.46Å; L424-V433 HydrophobicContact CD2-CG2 4.43Å
434P93.7Very high93.4Very high6 Ų671.2 Ų71.24%0.03939%0.393CS..PPolyproline II helixtrans-66.9152179.121.9-26.7000113.1L409 L414 V436 L461 D462L409-P434 HydrophobicContact CD2-CG 3.73Å; L414-P434 VanDerWaalsContact CD2-CD 3.48Å; L414-P434 HydrophobicContact CD2-CG 3.79Å; P434-V436 PolarHBondContact O-N 3.22Å; P434-L461 HydrophobicContact CB-CB 4.33Å; P434-L461 HydrophobicContact CB-CD2 4.04Å; P434-L461 HydrophobicContact CB-CG 4.09Å; P434-L461 WeakPolarHBondContact CB-O 3.43Å; P434-L461 HydrophobicContact CG-CB 4.48Å; P434-L461 HydrophobicContact CG-CD2 4.3Å; P434-D462 CarbonylContact C-O 3.55Å; P434-D462 VanDerWaalsContact CA-O 3.28Å; P434-D462 WeakPolarHBondContact CA-O 3.35Å; P434-D462 WeakPolarHBondContact CB-O 3.48Å
435L93.9Very high93.4Very high88 Ų8869 Ų6946%0.46138%0.382SS..EExtended strand (participates in β ladder)trans-85.4112.1176.3-175.467.4000110.1D462 H463 L464L435-D462 PolarHBondContact N-O 3.47Å; L435-H463 CarbonylContact O-C 3.49Å; L435-H463 WeakPolarHBondContact O-CA 3.27Å; L435-L464 PolarHBondContact O-N 2.88Å
436V96.7Very high93.3Very high14 Ų1476.8 Ų76.89%0.08541%0.414CS..EExtended strand (participates in β ladder)trans-110.9128.6176.5175.60000110S405 L408 L409 P434 L438 L461 L464S405-V436 WeakPolarHBondContact CB-O 3.35Å; L408-V436 HydrophobicContact CD2-CG1 4.02Å; L409-V436 HydrophobicContact CD1-CG2 4.44Å; L409-V436 HydrophobicContact CD2-CB 4.41Å; L409-V436 HydrophobicContact CD2-CG2 3.51Å; L409-V436 HydrophobicContact CG-CB 4.32Å; L409-V436 HydrophobicContact CG-CG2 3.9Å; P434-V436 PolarHBondContact O-N 3.22Å; V436-L438 HydrophobicContact CG1-CD2 4.09Å; V436-L438 HydrophobicContact CG1-CG 4.03Å; V436-L461 HydrophobicContact CG2-CD2 4.02Å; V436-L464 CarbonylContact C-O 3.53Å; V436-L464 WeakPolarHBondContact CA-O 3.38Å; V436-L464 HydrophobicContact CG1-CD2 4.21Å; V436-L464 HydrophobicContact CG2-CB 4.16Å
437K96.5Very high93.5Very high118 Ų11874 Ų7451%0.51339%0.393SS..EExtended strand (participates in β ladder)trans-130.2105173.6-68.3-175.5178.9178.60110.2L464 T465 V466K437-L464 PolarHBondContact N-O 2.67Å; K437-T465 WeakPolarHBondContact O-CA 3.46Å; K437-V466 PolarHBondContact O-N 3.05Å
438L97.4Very high93.5Very high22 Ų2267.8 Ų67.812%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-95.8135.9173.1-52.2179.7000110.5S405 L408 V436 F442 F448 F452 L464 V466S405-L438 PolarHBondContact OG-N 3.11Å; L408-L438 HydrophobicContact CB-CD1 4.33Å; L408-L438 HydrophobicContact CD2-CD1 4.06Å; L408-L438 HydrophobicContact CD2-CD2 4.08Å; L408-L438 HydrophobicContact CD2-CG 4.49Å; V436-L438 HydrophobicContact CG1-CD2 4.09Å; V436-L438 HydrophobicContact CG1-CG 4.03Å; L438-F442 HydrophobicContact CB-CB 3.66Å; L438-F442 HydrophobicContact CB-CD2 4.19Å; L438-F442 HydrophobicContact CB-CG 3.94Å; L438-F442 HydrophobicContact CD1-CB 4.1Å; L438-F442 HydrophobicContact CD1-CD1 4.25Å; L438-F442 HydrophobicContact CD1-CG 4.28Å; L438-F442 HydrophobicContact CG-CB 4.49Å; L438-F448 HydrophobicContact CD1-CD2 3.85Å; L438-F448 HydrophobicContact CD1-CE2 3.84Å; L438-F452 HydrophobicContact CD1-CE2 4.43Å; L438-L464 HydrophobicContact CD2-CD2 4.47Å; L438-V466 HydrophobicContact CD2-CB 3.99Å; L438-V466 HydrophobicContact CD2-CG2 3.87Å
439G96.1Very high93.6Very high19 Ų1970.8 Ų70.820%0.19638%0.378CS..  trans-71.1-178.6-178.200000114.2H441 F442 V466G439-H441 PolarHBondContact O-N 2.79Å; G439-H441 VanDerWaalsContact O-N 3.14Å; G439-F442 PolarHBondContact O-N 2.96Å; G439-V466 WeakPolarHBondContact CA-O 3.36Å; G439-V466 PolarHBondContact N-O 3.5Å
440S95.5Very high93.9Very high95 Ų9569.8 Ų69.866%0.66437%0.371SS*.G310 helixtrans-54.9-34.3-175.852.60000114.3F442 K443S440-F442 PolarHBondContact O-N 2.99Å; S440-K443 VanDerWaalsContact O-CB 3.25Å; S440-K443 WeakPolarHBondContact O-CB 3.36Å; S440-K443 PolarHBondContact O-N 2.9Å
441H96.1Very high94.3Very high72 Ų7264.6 Ų64.633%0.33335%0.347SS..G310 helixtrans-62.3-18.9177.5-75.4-95.6000114.2G439 D447 R451G439-H441 PolarHBondContact O-N 2.79Å; G439-H441 VanDerWaalsContact O-N 3.14Å; H441-D447 WeakPolarHBondContact O-CB 3.41Å; H441-R451 PolarHBondContact ND1-NH2 3.28Å; H441-R451 PolarHBondContact O-NE 3.03Å
442F97.3Very high94.9Very high0 Ų059.6 Ų59.60%031%0.314CS..G310 helixtrans-103.22.6178.3-63.6-94.9000112.2T404 L438 G439 S440 K444 F448 R451 F452 V466 V470 F472T404-F442 VanDerWaalsContact CB-O 3.23Å; T404-F442 WeakPolarHBondContact CB-O 3.33Å; T404-F442 WeakPolarHBondContact CG2-O 3.15Å; T404-F442 PolarHBondContact OG1-O 3.31Å; L438-F442 HydrophobicContact CB-CB 3.66Å; L438-F442 HydrophobicContact CB-CD2 4.19Å; L438-F442 HydrophobicContact CB-CG 3.94Å; L438-F442 HydrophobicContact CD1-CB 4.1Å; L438-F442 HydrophobicContact CD1-CD1 4.25Å; L438-F442 HydrophobicContact CD1-CG 4.28Å; L438-F442 HydrophobicContact CG-CB 4.49Å; G439-F442 PolarHBondContact O-N 2.96Å; S440-F442 PolarHBondContact O-N 2.99Å; F442-K444 VanDerWaalsContact C-N 3.32Å; F442-K444 PolarHBondContact O-N 3.07Å; F442-F448 HydrophobicContact CD1-CD2 4.13Å; F442-R451 HydrophobicContact CD1-CB 4.16Å; F442-R451 HydrophobicContact CE1-CB 3.52Å; F442-R451 HydrophobicContact CE1-CG 4.15Å; F442-R451 HydrophobicContact CZ-CB 4.16Å; F442-R451 HydrophobicContact CZ-CG 4.49Å; F442-F452 HydrophobicContact CD1-CD2 4.46Å; F442-F452 AromaticContact CD1-CE2 3.81Å; F442-F452 HydrophobicContact CD1-CE2 3.81Å; F442-F452 HydrophobicContact CE1-CD2 4.18Å; F442-F452 AromaticContact CE1-CE2 3.54Å; F442-F452 HydrophobicContact CE1-CE2 3.54Å; F442-F452 HydrophobicContact CE1-CZ 4.13Å; F442-V466 HydrophobicContact CE2-CB 4.43Å; F442-V466 HydrophobicContact CE2-CG1 3.66Å; F442-V466 HydrophobicContact CZ-CG1 3.91Å; F442-V470 HydrophobicContact CE2-CB 4.38Å; F442-V470 HydrophobicContact CZ-CB 4.15Å; F442-V470 WeakPolarHBondContact CZ-O 3.42Å; F442-F472 HydrophobicContact CE1-CE2 4.4Å; F442-F472 HydrophobicContact CZ-CE2 4.14Å
443K95.1Very high95.4Very high131 Ų13161.6 Ų61.657%0.5732%0.323SS*.SBendtrans-63.1-36.9-171.8-172.3177.4-179.3-178.20112.8M112 S440M112-K443 WeakPolarHBondContact CA-O 3.38Å; S440-K443 VanDerWaalsContact O-CB 3.25Å; S440-K443 WeakPolarHBondContact O-CB 3.36Å; S440-K443 PolarHBondContact O-N 2.9Å
444K94.3Very high95.6Very high120 Ų12060.1 Ų60.152%0.52232%0.316SS..SBendtrans-90137.5178.8-60.9-179.6176.2174.60110.2M112 F442 K446 D447 F448M112-K444 CarbonylContact O-C 3.55Å; M112-K444 VanDerWaalsContact O-CA 3.29Å; M112-K444 WeakPolarHBondContact O-CA 3.4Å; F442-K444 VanDerWaalsContact C-N 3.32Å; F442-K444 PolarHBondContact O-N 3.07Å; K444-K446 VanDerWaalsContact C-N 3.26Å; K444-K446 PolarHBondContact O-N 3.38Å; K444-D447 HydrophobicContact CB-CB 4.47Å; K444-D447 WeakPolarHBondContact CB-OD2 3.45Å; K444-D447 PolarHBondContact O-N 2.83Å; K444-D447 VanDerWaalsContact O-N 3.09Å; K444-F448 WeakPolarHBondContact O-CB 3.29Å; K444-F448 PolarHBondContact O-N 3.34Å
445V93.3Very high95.7Very high15 Ų1562.2 Ų62.29%0.09133%0.326CS..Hα-helixtrans-55.4-41.4179.8178.60000111.6M112 I121 T404 L407 D447 F448 L449M112-V445 HydrophobicContact CB-CG2 3.71Å; M112-V445 WeakPolarHBondContact O-CG2 3.33Å; M112-V445 PolarHBondContact O-N 2.75Å; M112-V445 HydrophobicContact SD-CG2 4.41Å; I121-V445 HydrophobicContact CG2-CG2 4.35Å; T404-V445 HydrophobicContact CG2-CG2 4.41Å; L407-V445 HydrophobicContact CD2-CG1 4.47Å; V445-D447 VanDerWaalsContact C-N 3.34Å; V445-D447 PolarHBondContact O-N 2.95Å; V445-F448 PolarHBondContact O-N 3.09Å; V445-L449 HydrophobicContact CG1-CD1 3.72Å; V445-L449 HydrophobicContact CG1-CG 4.02Å; V445-L449 WeakPolarHBondContact O-CB 3.5Å; V445-L449 VanDerWaalsContact O-CG 3.3Å; V445-L449 WeakPolarHBondContact O-CG 3.46Å; V445-L449 PolarHBondContact O-N 3.08Å
446K94Very high95.9Very high174 Ų17458.1 Ų58.176%0.75731%0.305SS*.Hα-helixtrans-58-46178.3-176.5-178.5176.9-177.40112.2K444 S450K444-K446 VanDerWaalsContact C-N 3.26Å; K444-K446 PolarHBondContact O-N 3.38Å; K446-S450 WeakPolarHBondContact O-CB 3.36Å; K446-S450 PolarHBondContact O-N 2.69Å; K446-S450 VanDerWaalsContact O-N 3.09Å; K446-S450 PolarHBondContact O-OG 3Å
447D95.9Very high95.9Very high58 Ų5860.1 Ų60.131%0.3132%0.315SS..Hα-helixtrans-74.4-37.2-178.7-56.6-34000110.9H441 K444 V445 S450 R451H441-D447 WeakPolarHBondContact O-CB 3.41Å; K444-D447 HydrophobicContact CB-CB 4.47Å; K444-D447 WeakPolarHBondContact CB-OD2 3.45Å; K444-D447 PolarHBondContact O-N 2.83Å; K444-D447 VanDerWaalsContact O-N 3.09Å; V445-D447 VanDerWaalsContact C-N 3.34Å; V445-D447 PolarHBondContact O-N 2.95Å; D447-S450 PolarHBondContact O-N 3.2Å; D447-S450 PolarHBondContact O-OG 3.21Å; D447-S450 VanDerWaalsContact O-OG 3.05Å; D447-R451 WeakPolarHBondContact O-CB 3.5Å; D447-R451 VanDerWaalsContact O-CD 3.25Å; D447-R451 WeakPolarHBondContact O-CD 3.4Å; D447-R451 WeakPolarHBondContact O-CG 3.11Å; D447-R451 PolarHBondContact O-N 3.02Å
448F96.4Very high96Very high0 Ų054.5 Ų54.50%029%0.291CS..Hα-helixtrans-57.9-51.6172164.2-101.1000111.7T404 L407 L408 M411 L438 F442 K444 V445 S450 R451 F452 I455T404-F448 HydrophobicContact CG2-CB 3.92Å; T404-F448 HydrophobicContact CG2-CG 4.13Å; L407-F448 HydrophobicContact CD2-CD1 4.03Å; L407-F448 HydrophobicContact CD2-CE1 3.8Å; L407-F448 HydrophobicContact CG-CE1 4.18Å; L408-F448 HydrophobicContact CB-CE2 3.87Å; L408-F448 HydrophobicContact CB-CZ 3.99Å; L408-F448 HydrophobicContact CD1-CE2 4.13Å; L408-F448 HydrophobicContact CD1-CZ 4.12Å; L408-F448 HydrophobicContact CG-CE2 4.44Å; M411-F448 HydrophobicContact SD-CE1 3.7Å; M411-F448 HydrophobicContact SD-CZ 4.09Å; L438-F448 HydrophobicContact CD1-CD2 3.85Å; L438-F448 HydrophobicContact CD1-CE2 3.84Å; F442-F448 HydrophobicContact CD1-CD2 4.13Å; K444-F448 WeakPolarHBondContact O-CB 3.29Å; K444-F448 PolarHBondContact O-N 3.34Å; V445-F448 PolarHBondContact O-N 3.09Å; F448-S450 PolarHBondContact O-N 3.46Å; F448-R451 PolarHBondContact O-N 3.01Å; F448-F452 AromaticContact CD2-CD2 3.87Å; F448-F452 HydrophobicContact CD2-CD2 3.87Å; F448-F452 AromaticContact CD2-CE2 3.79Å; F448-F452 HydrophobicContact CD2-CE2 3.79Å; F448-F452 AromaticContact CE2-CD2 3.62Å; F448-F452 HydrophobicContact CE2-CD2 3.62Å; F448-F452 AromaticContact CE2-CE2 3.51Å; F448-F452 HydrophobicContact CE2-CE2 3.51Å; F448-F452 HydrophobicContact CZ-CD2 4.25Å; F448-F452 HydrophobicContact CZ-CE2 4.48Å; F448-F452 WeakPolarHBondContact O-CD2 3.43Å; F448-F452 PolarHBondContact O-N 2.93Å; F448-I455 HydrophobicContact CZ-CD1 4.37Å
449L94.3Very high95.9Very high85 Ų8554.5 Ų54.545%0.44529%0.291SS..Hα-helixtrans-65.8-37.9-179-68.8176000112.3M411 V445 R451 F452M411-L449 HydrophobicContact CE-CD2 4Å; M411-L449 HydrophobicContact SD-CD2 4.47Å; V445-L449 HydrophobicContact CG1-CD1 3.72Å; V445-L449 HydrophobicContact CG1-CG 4.02Å; V445-L449 WeakPolarHBondContact O-CB 3.5Å; V445-L449 VanDerWaalsContact O-CG 3.3Å; V445-L449 WeakPolarHBondContact O-CG 3.46Å; V445-L449 PolarHBondContact O-N 3.08Å; L449-R451 PolarHBondContact O-N 3.09Å; L449-F452 PolarHBondContact O-N 2.78Å
450S95.8Very high95.9Very high71 Ų7158.1 Ų58.150%0.49730%0.303SS..Hα-helixtrans-69.6-22.3178.769.40000113.3K446 D447 F448K446-S450 WeakPolarHBondContact O-CB 3.36Å; K446-S450 PolarHBondContact O-N 2.69Å; K446-S450 VanDerWaalsContact O-N 3.09Å; K446-S450 PolarHBondContact O-OG 3Å; D447-S450 PolarHBondContact O-N 3.2Å; D447-S450 PolarHBondContact O-OG 3.21Å; D447-S450 VanDerWaalsContact O-OG 3.05Å; F448-S450 PolarHBondContact O-N 3.46Å
451R97.1Very high96Very high18 Ų1853.6 Ų53.67%0.06827%0.271CS..Hα-helixtrans-86.4-15.5179.8-72169.9179.6-70.9-7.4114.1H441 F442 D447 F448 L449 D469 V470 Y471 F472H441-R451 PolarHBondContact ND1-NH2 3.28Å; H441-R451 PolarHBondContact O-NE 3.03Å; F442-R451 HydrophobicContact CD1-CB 4.16Å; F442-R451 HydrophobicContact CE1-CB 3.52Å; F442-R451 HydrophobicContact CE1-CG 4.15Å; F442-R451 HydrophobicContact CZ-CB 4.16Å; F442-R451 HydrophobicContact CZ-CG 4.49Å; D447-R451 WeakPolarHBondContact O-CB 3.5Å; D447-R451 VanDerWaalsContact O-CD 3.25Å; D447-R451 WeakPolarHBondContact O-CD 3.4Å; D447-R451 WeakPolarHBondContact O-CG 3.11Å; D447-R451 PolarHBondContact O-N 3.02Å; F448-R451 PolarHBondContact O-N 3.01Å; L449-R451 PolarHBondContact O-N 3.09Å; R451-D469 IonicContact CZ-OD1 3.43Å; R451-D469 IonicContact NH1-OD1 3.9Å; R451-D469 PolarHBondContact NH1-OD1 2.91Å; R451-D469 IonicContact NH2-OD1 3.47Å; R451-D469 PolarHBondContact NH2-OD1 3.48Å; R451-V470 PolarHBondContact NH1-O 3.45Å; R451-Y471 HydrophobicContact CB-CD1 4.32Å; R451-Y471 HydrophobicContact CG-CD1 4.01Å; R451-Y471 HydrophobicContact CG-CE1 3.84Å; R451-Y471 CarbonylContact O-C 3.54Å; R451-Y471 WeakPolarHBondContact O-CA 3.4Å; R451-F472 PolarHBondContact O-N 2.9Å
452F96.7Very high96Very high13 Ų1354 Ų546%0.05728%0.275CS..BIsolated β-bridgetrans-113.9102.1174.9-74.1-79.9000109.8L408 L438 F442 F448 L449 S454 P456 F472L408-F452 HydrophobicContact CD1-CE1 4.32Å; L408-F452 HydrophobicContact CD1-CE2 4.35Å; L408-F452 HydrophobicContact CD1-CZ 4.16Å; L408-F452 HydrophobicContact CD2-CE1 4.49Å; L408-F452 HydrophobicContact CD2-CE2 4.36Å; L408-F452 HydrophobicContact CD2-CZ 3.86Å; L438-F452 HydrophobicContact CD1-CE2 4.43Å; F442-F452 HydrophobicContact CD1-CD2 4.46Å; F442-F452 AromaticContact CD1-CE2 3.81Å; F442-F452 HydrophobicContact CD1-CE2 3.81Å; F442-F452 HydrophobicContact CE1-CD2 4.18Å; F442-F452 AromaticContact CE1-CE2 3.54Å; F442-F452 HydrophobicContact CE1-CE2 3.54Å; F442-F452 HydrophobicContact CE1-CZ 4.13Å; F448-F452 AromaticContact CD2-CD2 3.87Å; F448-F452 HydrophobicContact CD2-CD2 3.87Å; F448-F452 AromaticContact CD2-CE2 3.79Å; F448-F452 HydrophobicContact CD2-CE2 3.79Å; F448-F452 AromaticContact CE2-CD2 3.62Å; F448-F452 HydrophobicContact CE2-CD2 3.62Å; F448-F452 AromaticContact CE2-CE2 3.51Å; F448-F452 HydrophobicContact CE2-CE2 3.51Å; F448-F452 HydrophobicContact CZ-CD2 4.25Å; F448-F452 HydrophobicContact CZ-CE2 4.48Å; F448-F452 WeakPolarHBondContact O-CD2 3.43Å; F448-F452 PolarHBondContact O-N 2.93Å; L449-F452 PolarHBondContact O-N 2.78Å; F452-S454 PolarHBondContact O-N 2.85Å; F452-P456 HydrophobicContact CD1-CG 4.35Å; F452-P456 HydrophobicContact CE1-CG 4.02Å; F452-F472 HydrophobicContact CD1-CB 3.54Å; F452-F472 HydrophobicContact CD1-CD1 4.47Å; F452-F472 AromaticContact CD1-CD2 3.65Å; F452-F472 HydrophobicContact CD1-CD2 3.65Å; F452-F472 HydrophobicContact CD1-CE2 4.45Å; F452-F472 AromaticContact CD1-CG 3.65Å; F452-F472 HydrophobicContact CD1-CG 3.65Å; F452-F472 HydrophobicContact CE1-CB 3.85Å; F452-F472 AromaticContact CE1-CD1 3.93Å; F452-F472 HydrophobicContact CE1-CD1 3.93Å; F452-F472 AromaticContact CE1-CD2 3.17Å; F452-F472 HydrophobicContact CE1-CD2 3.17Å; F452-F472 HydrophobicContact CE1-CE1 4.26Å; F452-F472 AromaticContact CE1-CE2 3.56Å; F452-F472 HydrophobicContact CE1-CE2 3.56Å; F452-F472 AromaticContact CE1-CG 3.38Å; F452-F472 HydrophobicContact CE1-CG 3.38Å; F452-F472 HydrophobicContact CE1-CZ 4.08Å; F452-F472 HydrophobicContact CE2-CD2 4.29Å; F452-F472 HydrophobicContact CE2-CE2 4.44Å; F452-F472 HydrophobicContact CG-CB 4.42Å; F452-F472 HydrophobicContact CG-CD2 4.37Å; F452-F472 AromaticContact CZ-CD2 3.55Å; F452-F472 HydrophobicContact CZ-CD2 3.55Å; F452-F472 AromaticContact CZ-CE2 3.55Å; F452-F472 HydrophobicContact CZ-CE2 3.55Å; F452-F472 HydrophobicContact CZ-CG 4.21Å; F452-F472 HydrophobicContact CZ-CZ 4.22Å
453T95.6Very high96Very high109 Ų10956.4 Ų56.467%0.66929%0.286SS*.SBendtrans-59.6-34.8174.4-51.30000111.5F472 K474T453-F472 PolarHBondContact N-O 3.24Å; T453-F472 PolarHBondContact OG1-O 2.81Å; T453-K474 HydrophobicContact CG2-CB 4.33Å
454S95.5Very high96.1Very high35 Ų3550.1 Ų50.125%0.24526%0.259CS..SBendtrans-144156163.665.90000109.2F452 K474 G475F452-S454 PolarHBondContact O-N 2.85Å; S454-K474 WeakPolarHBondContact OG-CA 3.3Å; S454-G475 PolarHBondContact OG-N 2.85Å
455I96.4Very high96.3Very high49 Ų4946.1 Ų46.125%0.25125%0.245SC..PPolyproline II helixtrans-65.1128.3172.8-55.2-64.1000109L408 M411 F448L408-I455 HydrophobicContact CD1-CD1 4.24Å; L408-I455 HydrophobicContact CD1-CG2 4.07Å; M411-I455 HydrophobicContact CB-CD1 3.93Å; M411-I455 HydrophobicContact CB-CG1 3.97Å; M411-I455 HydrophobicContact CB-CG2 4.2Å; M411-I455 HydrophobicContact CE-CD1 3.84Å; M411-I455 HydrophobicContact CE-CG1 4.15Å; M411-I455 HydrophobicContact CG-CD1 4.48Å; M411-I455 HydrophobicContact SD-CD1 3.82Å; F448-I455 HydrophobicContact CZ-CD1 4.37Å
456P97.4Very high96.6Very high2 Ų245.5 Ų45.51%0.01324%0.241CC..PPolyproline II helixtrans-69.4160.8-179.528.6-36.2000112.3L408 F452 L458 V476 L478L408-P456 HydrophobicContact CD1-CG 4.31Å; F452-P456 HydrophobicContact CD1-CG 4.35Å; F452-P456 HydrophobicContact CE1-CG 4.02Å; P456-L458 HydrophobicContact CB-CD2 4.16Å; P456-L458 HydrophobicContact CG-CD2 3.76Å; P456-L458 HydrophobicContact CG-CG 4.33Å; P456-L458 PolarHBondContact O-N 3.06Å; P456-V476 CarbonylContact C-O 3.36Å; P456-V476 WeakPolarHBondContact CA-O 3.32Å; P456-V476 HydrophobicContact CB-CB 4.22Å; P456-V476 HydrophobicContact CB-CG1 4.31Å; P456-V476 VanDerWaalsContact CB-O 3.3Å; P456-V476 WeakPolarHBondContact CB-O 3.29Å; P456-L478 HydrophobicContact CB-CD1 4.21Å; P456-L478 HydrophobicContact CB-CG 4.23Å; P456-L478 HydrophobicContact CG-CD1 4.14Å
457D97.8Very high96.7Very high56 Ų5639.9 Ų39.930%0.29922%0.224SC..BIsolated β-bridgetrans-71.8120.8166.1-176.6-13.8000109.5N413 L459 V476 V477 L478N413-D457 PolarHBondContact ND2-OD1 2.97Å; N413-D457 PolarHBondContact OD1-OD1 3.17Å; D457-L459 VanDerWaalsContact OD1-CB 3.24Å; D457-L459 WeakPolarHBondContact OD1-CB 3.45Å; D457-L459 PolarHBondContact OD1-N 3.33Å; D457-V476 PolarHBondContact N-O 2.77Å; D457-V477 HydrophobicContact CB-CB 4.23Å; D457-V477 HydrophobicContact CB-CG1 4.05Å; D457-V477 HydrophobicContact CB-CG2 4Å; D457-L478 PolarHBondContact O-N 3.18Å
458L97.4Very high96.8Very high0 Ų037.7 Ų37.70%022%0.215CC..  trans-117.511.3179.8-55-171.3000112.5L408 N413 R428 P456 E460 L461 L478L408-L458 HydrophobicContact CG-CD1 4.07Å; N413-L458 PolarHBondContact OD1-N 3.14Å; R428-L458 PolarHBondContact NH1-O 2.91Å; P456-L458 HydrophobicContact CB-CD2 4.16Å; P456-L458 HydrophobicContact CG-CD2 3.76Å; P456-L458 HydrophobicContact CG-CG 4.33Å; P456-L458 PolarHBondContact O-N 3.06Å; L458-E460 VanDerWaalsContact C-N 3.27Å; L458-E460 PolarHBondContact O-N 2.87Å; L458-L461 HydrophobicContact CB-CB 4.18Å; L458-L461 HydrophobicContact CB-CD2 4.35Å; L458-L461 HydrophobicContact CD1-CD2 4.38Å; L458-L461 HydrophobicContact CD2-CD2 3.93Å; L458-L461 HydrophobicContact CG-CD2 4.45Å; L458-L461 WeakPolarHBondContact O-CB 3.2Å; L458-L461 PolarHBondContact O-N 3.29Å; L458-L461 VanDerWaalsContact O-N 3.11Å; L458-L478 HydrophobicContact CD2-CB 3.98Å; L458-L478 HydrophobicContact CD2-CD1 3.78Å; L458-L478 HydrophobicContact CD2-CG 4.19Å
459L96.2Very high96.8Very high23 Ų2339.7 Ų39.712%0.1223%0.225CC..THydrogen-bonded Turntrans-63.3-33.9-170.1-169.968.9000112.5L427 R428 D457L427-L459 HydrophobicContact CB-CD1 4.15Å; L427-L459 HydrophobicContact CB-CD2 3.63Å; L427-L459 HydrophobicContact CB-CG 4.43Å; L427-L459 HydrophobicContact CD1-CD2 4.44Å; R428-L459 HydrophobicContact CB-CD1 4.09Å; R428-L459 WeakPolarHBondContact CD-O 3.2Å; R428-L459 PolarHBondContact NH1-O 2.98Å; D457-L459 VanDerWaalsContact OD1-CB 3.24Å; D457-L459 WeakPolarHBondContact OD1-CB 3.45Å; D457-L459 PolarHBondContact OD1-N 3.33Å
460E96.3Very high97Very high95 Ų9535.6 Ų35.644%0.44420%0.204SC..THydrogen-bonded Turntrans-10715177-66.2175.4-145.900112.6L458 K479 G480L458-E460 VanDerWaalsContact C-N 3.27Å; L458-E460 PolarHBondContact O-N 2.87Å; E460-K479 HydrophobicContact CB-CB 4.29Å; E460-K479 HydrophobicContact CB-CD 4.38Å; E460-K479 HydrophobicContact CB-CG 4.04Å; E460-K479 WeakPolarHBondContact O-CA 3.45Å; E460-K479 IonicContact OE1-NZ 3.93Å; E460-K479 PolarHBondContact OE1-NZ 2.67Å; E460-K479 VanDerWaalsContact OE1-NZ 3.08Å; E460-K479 VanDerWaalsContact OE2-CD 3.28Å; E460-K479 WeakPolarHBondContact OE2-CD 3.44Å; E460-K479 VanDerWaalsContact OE2-CE 3.27Å; E460-K479 WeakPolarHBondContact OE2-CE 3.25Å; E460-K479 IonicContact OE2-NZ 3.75Å; E460-K479 PolarHBondContact OE2-NZ 3.26Å; E460-G480 PolarHBondContact O-N 3.44Å
461L97.6Very high97.1Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-75.5141.4177.2-176.473000110.9R428 P434 V436 L458 L464 L478 G480 V482R428-L461 PolarHBondContact NH1-O 2.77Å; R428-L461 PolarHBondContact NH2-O 3.26Å; P434-L461 HydrophobicContact CB-CB 4.33Å; P434-L461 HydrophobicContact CB-CD2 4.04Å; P434-L461 HydrophobicContact CB-CG 4.09Å; P434-L461 WeakPolarHBondContact CB-O 3.43Å; P434-L461 HydrophobicContact CG-CB 4.48Å; P434-L461 HydrophobicContact CG-CD2 4.3Å; V436-L461 HydrophobicContact CG2-CD2 4.02Å; L458-L461 HydrophobicContact CB-CB 4.18Å; L458-L461 HydrophobicContact CB-CD2 4.35Å; L458-L461 HydrophobicContact CD1-CD2 4.38Å; L458-L461 HydrophobicContact CD2-CD2 3.93Å; L458-L461 HydrophobicContact CG-CD2 4.45Å; L458-L461 WeakPolarHBondContact O-CB 3.2Å; L458-L461 PolarHBondContact O-N 3.29Å; L458-L461 VanDerWaalsContact O-N 3.11Å; L461-L464 HydrophobicContact CD1-CB 4.11Å; L461-L464 HydrophobicContact CD2-CB 3.68Å; L461-L464 HydrophobicContact CD2-CD2 4.47Å; L461-L464 HydrophobicContact CG-CB 4.44Å; L461-L478 HydrophobicContact CD1-CB 3.97Å; L461-G480 WeakPolarHBondContact CD1-O 3.46Å; L461-V482 HydrophobicContact CD1-CG2 4.46Å
462D95.7Very high97.1Very high79 Ų7935.2 Ų35.242%0.42219%0.192SC..EExtended strand (participates in β ladder)trans-110.1-44.5167.1-65.1-40.7000111.9R428 P434 L435 G480R428-D462 IonicContact NH2-OD1 3.46Å; P434-D462 CarbonylContact C-O 3.55Å; P434-D462 VanDerWaalsContact CA-O 3.28Å; P434-D462 WeakPolarHBondContact CA-O 3.35Å; P434-D462 WeakPolarHBondContact CB-O 3.48Å; L435-D462 PolarHBondContact N-O 3.47Å; D462-G480 PolarHBondContact N-O 3.44Å
463H97Very high97.1Very high51 Ų5135 Ų3524%0.23619%0.194CC..EExtended strand (participates in β ladder)trans-143.7127.7-176.4-177117.7000110.5L435 T465 G480 T481 V482L435-H463 CarbonylContact O-C 3.49Å; L435-H463 WeakPolarHBondContact O-CA 3.27Å; H463-T465 PolarHBondContact NE2-OG1 3.34Å; H463-G480 PolarHBondContact N-O 3.09Å; H463-T481 HydrophobicContact CB-CG2 4.17Å; H463-T481 WeakPolarHBondContact O-CA 3.39Å; H463-V482 PolarHBondContact O-N 3.43Å
464L98.4Very high97.2Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-122.7125.9171.3177.759.9000110L408 L435 V436 K437 L438 L461 V466 L478 V482L408-L464 HydrophobicContact CD2-CD2 3.95Å; L435-L464 PolarHBondContact O-N 2.88Å; V436-L464 CarbonylContact C-O 3.53Å; V436-L464 WeakPolarHBondContact CA-O 3.38Å; V436-L464 HydrophobicContact CG1-CD2 4.21Å; V436-L464 HydrophobicContact CG2-CB 4.16Å; K437-L464 PolarHBondContact N-O 2.67Å; L438-L464 HydrophobicContact CD2-CD2 4.47Å; L461-L464 HydrophobicContact CD1-CB 4.11Å; L461-L464 HydrophobicContact CD2-CB 3.68Å; L461-L464 HydrophobicContact CD2-CD2 4.47Å; L461-L464 HydrophobicContact CG-CB 4.44Å; L464-V466 HydrophobicContact CD1-CG2 3.64Å; L464-V466 HydrophobicContact CD2-CG2 4.3Å; L464-V466 HydrophobicContact CG-CG2 3.9Å; L464-L478 HydrophobicContact CD1-CD1 3.96Å; L464-L478 HydrophobicContact CD2-CD1 3.79Å; L464-L478 HydrophobicContact CG-CD1 4.49Å; L464-V482 WeakPolarHBondContact CA-O 3.28Å; L464-V482 HydrophobicContact CD1-CB 4.1Å; L464-V482 HydrophobicContact CD1-CG1 4.15Å
465T98.3Very high97.3Very high35 Ų3537.1 Ų37.122%0.21520%0.201CC..EExtended strand (participates in β ladder)trans-127124.3166.3-65.40000109.9K437 H463 V482 I483 I484K437-T465 WeakPolarHBondContact O-CA 3.46Å; H463-T465 PolarHBondContact NE2-OG1 3.34Å; T465-V482 PolarHBondContact N-O 2.86Å; T465-I483 CarbonylContact O-C 3.57Å; T465-I483 WeakPolarHBondContact O-CA 3.46Å; T465-I484 PolarHBondContact O-N 3.18Å
466V98.2Very high97.4Very high2 Ų234.9 Ų34.91%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-124.2120.3178.6-173.30000108.3K437 L438 G439 F442 L464 V470 F472 I484K437-V466 PolarHBondContact O-N 3.05Å; L438-V466 HydrophobicContact CD2-CB 3.99Å; L438-V466 HydrophobicContact CD2-CG2 3.87Å; G439-V466 WeakPolarHBondContact CA-O 3.36Å; G439-V466 PolarHBondContact N-O 3.5Å; F442-V466 HydrophobicContact CE2-CB 4.43Å; F442-V466 HydrophobicContact CE2-CG1 3.66Å; F442-V466 HydrophobicContact CZ-CG1 3.91Å; L464-V466 HydrophobicContact CD1-CG2 3.64Å; L464-V466 HydrophobicContact CD2-CG2 4.3Å; L464-V466 HydrophobicContact CG-CG2 3.9Å; V466-V470 HydrophobicContact CG1-CB 3.72Å; V466-V470 HydrophobicContact CG1-CG1 3.95Å; V466-V470 HydrophobicContact CG1-CG2 3.75Å; V466-F472 HydrophobicContact CG1-CE2 4.23Å; V466-F472 HydrophobicContact CG1-CZ 4.31Å; V466-F472 HydrophobicContact CG2-CE2 4.35Å; V466-F472 HydrophobicContact CG2-CZ 3.85Å; V466-I484 CarbonylContact C-O 3.55Å; V466-I484 WeakPolarHBondContact CA-O 3.25Å; V466-I484 HydrophobicContact CG1-CB 4.42Å
467S97.4Very high97.4Very high57 Ų5736.1 Ų36.140%0.39920%0.197SC..EExtended strand (participates in β ladder)trans-128140.5178.7-169.40000110.9I484 A486S467-I484 PolarHBondContact N-O 3.36Å; S467-A486 PolarHBondContact O-N 3.07Å
468G96.6Very high97.5Very high11 Ų1133.5 Ų33.511%0.11318%0.183CC..SBendtrans87-164.1-179.100000115V470 A486G468-V470 PolarHBondContact O-N 3.41Å; G468-A486 WeakPolarHBondContact CA-O 3.1Å
469D97.2Very high97.5Very high42 Ų4235.7 Ų35.723%0.22519%0.193CC..EExtended strand (participates in β ladder)trans-82.688.9-175.5-162.18000111R451 Y471 L491 I492R451-D469 IonicContact CZ-OD1 3.43Å; R451-D469 IonicContact NH1-OD1 3.9Å; R451-D469 PolarHBondContact NH1-OD1 2.91Å; R451-D469 IonicContact NH2-OD1 3.47Å; R451-D469 PolarHBondContact NH2-OD1 3.48Å; D469-Y471 VanDerWaalsContact OD1-CE2 3.32Å; D469-Y471 WeakPolarHBondContact OD1-CE2 3.2Å; D469-L491 HydrophobicContact CB-CB 4.44Å; D469-L491 CarbonylContact O-C 3.54Å; D469-L491 VanDerWaalsContact O-CA 3.29Å; D469-L491 WeakPolarHBondContact O-CA 3.25Å; D469-I492 PolarHBondContact O-N 3.09Å
470V98.2Very high97.5Very high0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans-120.3140.3-174.6-175.70000110.9F442 R451 V466 G468 F472 I484 A486 I492 I494F442-V470 HydrophobicContact CE2-CB 4.38Å; F442-V470 HydrophobicContact CZ-CB 4.15Å; F442-V470 WeakPolarHBondContact CZ-O 3.42Å; R451-V470 PolarHBondContact NH1-O 3.45Å; V466-V470 HydrophobicContact CG1-CB 3.72Å; V466-V470 HydrophobicContact CG1-CG1 3.95Å; V466-V470 HydrophobicContact CG1-CG2 3.75Å; G468-V470 PolarHBondContact O-N 3.41Å; V470-F472 HydrophobicContact CG1-CD2 4.29Å; V470-F472 HydrophobicContact CG1-CE2 3.74Å; V470-F472 HydrophobicContact CG1-CZ 4.07Å; V470-I484 HydrophobicContact CG1-CG2 3.96Å; V470-I484 HydrophobicContact CG2-CG2 3.99Å; V470-A486 HydrophobicContact CG2-CB 3.99Å; V470-I492 CarbonylContact C-O 3.48Å; V470-I492 WeakPolarHBondContact CA-O 3.23Å; V470-I492 HydrophobicContact CG2-CB 4.41Å; V470-I494 HydrophobicContact CG1-CG1 4.35Å
471Y97.9Very high97.6Very high78 Ų7833.2 Ų33.231%0.30619%0.186SC..EExtended strand (participates in β ladder)trans-126.3145.9173.7-68.2-99.1000110.5R451 D469 L491 I492 N493 I494R451-Y471 HydrophobicContact CB-CD1 4.32Å; R451-Y471 HydrophobicContact CG-CD1 4.01Å; R451-Y471 HydrophobicContact CG-CE1 3.84Å; R451-Y471 CarbonylContact O-C 3.54Å; R451-Y471 WeakPolarHBondContact O-CA 3.4Å; D469-Y471 VanDerWaalsContact OD1-CE2 3.32Å; D469-Y471 WeakPolarHBondContact OD1-CE2 3.2Å; Y471-L491 HydrophobicContact CD2-CD1 4.19Å; Y471-L491 HydrophobicContact CD2-CG 4.31Å; Y471-L491 HydrophobicContact CE2-CD1 3.87Å; Y471-L491 HydrophobicContact CE2-CG 4.4Å; Y471-I492 PolarHBondContact N-O 2.87Å; Y471-N493 WeakPolarHBondContact CB-OD1 3.23Å; Y471-I494 PolarHBondContact O-N 2.9Å
472F98.2Very high97.7Very high2 Ų233.2 Ų33.21%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-119.2121.5-179.5-67.1-97.2000110.5F442 R451 F452 T453 V466 V470 V476 L478 I484 I494F442-F472 HydrophobicContact CE1-CE2 4.4Å; F442-F472 HydrophobicContact CZ-CE2 4.14Å; R451-F472 PolarHBondContact O-N 2.9Å; F452-F472 HydrophobicContact CD1-CB 3.54Å; F452-F472 HydrophobicContact CD1-CD1 4.47Å; F452-F472 AromaticContact CD1-CD2 3.65Å; F452-F472 HydrophobicContact CD1-CD2 3.65Å; F452-F472 HydrophobicContact CD1-CE2 4.45Å; F452-F472 AromaticContact CD1-CG 3.65Å; F452-F472 HydrophobicContact CD1-CG 3.65Å; F452-F472 HydrophobicContact CE1-CB 3.85Å; F452-F472 AromaticContact CE1-CD1 3.93Å; F452-F472 HydrophobicContact CE1-CD1 3.93Å; F452-F472 AromaticContact CE1-CD2 3.17Å; F452-F472 HydrophobicContact CE1-CD2 3.17Å; F452-F472 HydrophobicContact CE1-CE1 4.26Å; F452-F472 AromaticContact CE1-CE2 3.56Å; F452-F472 HydrophobicContact CE1-CE2 3.56Å; F452-F472 AromaticContact CE1-CG 3.38Å; F452-F472 HydrophobicContact CE1-CG 3.38Å; F452-F472 HydrophobicContact CE1-CZ 4.08Å; F452-F472 HydrophobicContact CE2-CD2 4.29Å; F452-F472 HydrophobicContact CE2-CE2 4.44Å; F452-F472 HydrophobicContact CG-CB 4.42Å; F452-F472 HydrophobicContact CG-CD2 4.37Å; F452-F472 AromaticContact CZ-CD2 3.55Å; F452-F472 HydrophobicContact CZ-CD2 3.55Å; F452-F472 AromaticContact CZ-CE2 3.55Å; F452-F472 HydrophobicContact CZ-CE2 3.55Å; F452-F472 HydrophobicContact CZ-CG 4.21Å; F452-F472 HydrophobicContact CZ-CZ 4.22Å; T453-F472 PolarHBondContact N-O 3.24Å; T453-F472 PolarHBondContact OG1-O 2.81Å; V466-F472 HydrophobicContact CG1-CE2 4.23Å; V466-F472 HydrophobicContact CG1-CZ 4.31Å; V466-F472 HydrophobicContact CG2-CE2 4.35Å; V466-F472 HydrophobicContact CG2-CZ 3.85Å; V470-F472 HydrophobicContact CG1-CD2 4.29Å; V470-F472 HydrophobicContact CG1-CE2 3.74Å; V470-F472 HydrophobicContact CG1-CZ 4.07Å; F472-V476 HydrophobicContact CD1-CG1 4.21Å; F472-L478 HydrophobicContact CE1-CD1 4.37Å; F472-I484 HydrophobicContact CE1-CD1 3.71Å; F472-I484 HydrophobicContact CZ-CD1 3.73Å; F472-I494 HydrophobicContact CD1-CB 4.2Å; F472-I494 HydrophobicContact CD1-CG1 4.12Å; F472-I494 HydrophobicContact CD1-CG2 4.45Å; F472-I494 HydrophobicContact CE1-CG1 4.16Å
473G96.9Very high97.8Very high9 Ų931.3 Ų31.39%0.09318%0.176CC..  trans-69179.5172.900000113.7V476 I494G473-V476 WeakPolarHBondContact O-CG2 3.41Å; G473-I494 PolarHBondContact N-O 3.18Å
474K97.2Very high97.9Very high147 Ų14728.9 Ų28.964%0.63917%0.165SC*.THydrogen-bonded Turntrans-70.6140.4179.8-172.4176.9178.9-178.40111.7T453 S454 V476 P496 G497T453-K474 HydrophobicContact CG2-CB 4.33Å; S454-K474 WeakPolarHBondContact OG-CA 3.3Å; K474-V476 PolarHBondContact O-N 3.16Å; K474-P496 CarbonylContact O-C 3.57Å; K474-P496 VanDerWaalsContact O-CA 3.23Å; K474-P496 WeakPolarHBondContact O-CA 3.49Å; K474-P496 WeakPolarHBondContact O-CB 3.32Å; K474-G497 PolarHBondContact O-N 2.93Å
475G97Very high97.8Very high41 Ų4131.8 Ų31.842%0.42318%0.179SC..THydrogen-bonded Turntrans69.727.7170.800000115.1S454 G497S454-G475 PolarHBondContact OG-N 2.85Å; G475-G497 WeakPolarHBondContact O-CA 3.37Å
476V98.3Very high97.8Very high2 Ų230.3 Ų30.31%0.01217%0.171CC..  trans-69.5140.7173.7172.70000110.4P456 D457 F472 G473 K474 L478 I494 S498P456-V476 CarbonylContact C-O 3.36Å; P456-V476 WeakPolarHBondContact CA-O 3.32Å; P456-V476 HydrophobicContact CB-CB 4.22Å; P456-V476 HydrophobicContact CB-CG1 4.31Å; P456-V476 VanDerWaalsContact CB-O 3.3Å; P456-V476 WeakPolarHBondContact CB-O 3.29Å; D457-V476 PolarHBondContact N-O 2.77Å; F472-V476 HydrophobicContact CD1-CG1 4.21Å; G473-V476 WeakPolarHBondContact O-CG2 3.41Å; K474-V476 PolarHBondContact O-N 3.16Å; V476-L478 HydrophobicContact CG1-CD2 3.68Å; V476-L478 HydrophobicContact CG1-CG 4.13Å; V476-I494 HydrophobicContact CG1-CG2 4.26Å; V476-I494 HydrophobicContact CG2-CG2 3.94Å; V476-S498 WeakPolarHBondContact CA-O 3.3Å
477V98.4Very high97.6Very high29 Ų2935 Ų3518%0.17620%0.196CC..EExtended strand (participates in β ladder)trans-120126.9177.5-178.30000109.6D457 K479 S498 I499 L500D457-V477 HydrophobicContact CB-CB 4.23Å; D457-V477 HydrophobicContact CB-CG1 4.05Å; D457-V477 HydrophobicContact CB-CG2 4Å; V477-K479 HydrophobicContact CG1-CD 4.41Å; V477-K479 HydrophobicContact CG1-CG 4.02Å; V477-S498 PolarHBondContact N-O 2.96Å; V477-I499 HydrophobicContact CB-CG1 4.19Å; V477-I499 HydrophobicContact CB-CG2 4.27Å; V477-I499 HydrophobicContact CG1-CG2 4.37Å; V477-I499 HydrophobicContact CG2-CG1 4.42Å; V477-I499 WeakPolarHBondContact O-CA 3.35Å; V477-L500 PolarHBondContact O-N 3.18Å
478L98.4Very high97.4Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-118.6123.6-178.4-54-179.5000110.1P456 D457 L458 L461 L464 F472 V476 V482 L500P456-L478 HydrophobicContact CB-CD1 4.21Å; P456-L478 HydrophobicContact CB-CG 4.23Å; P456-L478 HydrophobicContact CG-CD1 4.14Å; D457-L478 PolarHBondContact O-N 3.18Å; L458-L478 HydrophobicContact CD2-CB 3.98Å; L458-L478 HydrophobicContact CD2-CD1 3.78Å; L458-L478 HydrophobicContact CD2-CG 4.19Å; L461-L478 HydrophobicContact CD1-CB 3.97Å; L464-L478 HydrophobicContact CD1-CD1 3.96Å; L464-L478 HydrophobicContact CD2-CD1 3.79Å; L464-L478 HydrophobicContact CG-CD1 4.49Å; F472-L478 HydrophobicContact CE1-CD1 4.37Å; V476-L478 HydrophobicContact CG1-CD2 3.68Å; V476-L478 HydrophobicContact CG1-CG 4.13Å; L478-V482 HydrophobicContact CB-CG2 4.35Å; L478-V482 HydrophobicContact CD2-CG1 4.32Å; L478-L500 WeakPolarHBondContact CA-O 3.33Å; L478-L500 HydrophobicContact CD2-CB 3.9Å; L478-L500 HydrophobicContact CD2-CD1 3.94Å; L478-L500 HydrophobicContact CD2-CG 4.23Å
479K97.8Very high97.2Very high46 Ų4645.2 Ų45.220%0.225%0.248CC..EExtended strand (participates in β ladder)trans-130.3145.1-174.4-55.3-172.2167.2-148.60112.4E460 V477 T481 L500 E501 N502E460-K479 HydrophobicContact CB-CB 4.29Å; E460-K479 HydrophobicContact CB-CD 4.38Å; E460-K479 HydrophobicContact CB-CG 4.04Å; E460-K479 WeakPolarHBondContact O-CA 3.45Å; E460-K479 IonicContact OE1-NZ 3.93Å; E460-K479 PolarHBondContact OE1-NZ 2.67Å; E460-K479 VanDerWaalsContact OE1-NZ 3.08Å; E460-K479 VanDerWaalsContact OE2-CD 3.28Å; E460-K479 WeakPolarHBondContact OE2-CD 3.44Å; E460-K479 VanDerWaalsContact OE2-CE 3.27Å; E460-K479 WeakPolarHBondContact OE2-CE 3.25Å; E460-K479 IonicContact OE2-NZ 3.75Å; E460-K479 PolarHBondContact OE2-NZ 3.26Å; V477-K479 HydrophobicContact CG1-CD 4.41Å; V477-K479 HydrophobicContact CG1-CG 4.02Å; K479-T481 PolarHBondContact O-N 3.36Å; K479-L500 PolarHBondContact N-O 3.28Å; K479-E501 HydrophobicContact CB-CB 3.88Å; K479-E501 HydrophobicContact CB-CG 3.78Å; K479-E501 WeakPolarHBondContact O-CA 3.42Å; K479-N502 PolarHBondContact O-N 2.81Å
480G97.1Very high97.2Very high6 Ų645.5 Ų45.56%0.06225%0.25CC..EExtended strand (participates in β ladder)trans58.2-127.3179.700000112E460 L461 D462 H463 N502E460-G480 PolarHBondContact O-N 3.44Å; L461-G480 WeakPolarHBondContact CD1-O 3.46Å; D462-G480 PolarHBondContact N-O 3.44Å; H463-G480 PolarHBondContact N-O 3.09Å; G480-N502 WeakPolarHBondContact CA-OD1 3.36Å
481T98.2Very high97.1Very high60 Ų6046.5 Ų46.537%0.36826%0.255SS..EExtended strand (participates in β ladder)trans-101116.2177.7-62.20000111.9H463 K479 I483 N502 K503H463-T481 HydrophobicContact CB-CG2 4.17Å; H463-T481 WeakPolarHBondContact O-CA 3.39Å; K479-T481 PolarHBondContact O-N 3.36Å; T481-I483 HydrophobicContact CG2-CD1 4.38Å; T481-I483 HydrophobicContact CG2-CG1 4.31Å; T481-N502 PolarHBondContact N-OD1 3.43Å; T481-N502 CarbonylContact O-C 3.57Å; T481-N502 WeakPolarHBondContact O-CA 3.32Å; T481-N502 PolarHBondContact O-N 3.13Å; T481-K503 PolarHBondContact O-N 2.92Å; T481-K503 VanDerWaalsContact O-N 3.13Å
482V98.6Very high97.1Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-119.5125.7176.6-176.80000110.5L461 H463 L464 T465 L478 I484 L500 K503L461-V482 HydrophobicContact CD1-CG2 4.46Å; H463-V482 PolarHBondContact O-N 3.43Å; L464-V482 WeakPolarHBondContact CA-O 3.28Å; L464-V482 HydrophobicContact CD1-CB 4.1Å; L464-V482 HydrophobicContact CD1-CG1 4.15Å; T465-V482 PolarHBondContact N-O 2.86Å; L478-V482 HydrophobicContact CB-CG2 4.35Å; L478-V482 HydrophobicContact CD2-CG1 4.32Å; V482-I484 HydrophobicContact CG1-CD1 4.19Å; V482-I484 HydrophobicContact CG1-CG1 3.93Å; V482-L500 HydrophobicContact CG1-CB 4.07Å; V482-L500 HydrophobicContact CG1-CD1 4.05Å; V482-L500 HydrophobicContact CG2-CB 4.06Å; V482-L500 VanDerWaalsContact CG2-O 3.29Å; V482-L500 WeakPolarHBondContact CG2-O 3.29Å; V482-K503 WeakPolarHBondContact CA-O 3.44Å
483I98.5Very high97Very high40 Ų4044.4 Ų44.421%0.20525%0.249CC..EExtended strand (participates in β ladder)trans-125.5123176.7-59174.4000108.3T465 T481 I485 K503 I504 V505T465-I483 CarbonylContact O-C 3.57Å; T465-I483 WeakPolarHBondContact O-CA 3.46Å; T481-I483 HydrophobicContact CG2-CD1 4.38Å; T481-I483 HydrophobicContact CG2-CG1 4.31Å; I483-I485 HydrophobicContact CG2-CD1 3.83Å; I483-I485 HydrophobicContact CG2-CG1 3.83Å; I483-K503 PolarHBondContact N-O 3.26Å; I483-I504 HydrophobicContact CB-CG1 4.19Å; I483-I504 HydrophobicContact CB-CG2 4.24Å; I483-I504 HydrophobicContact CD1-CD1 4.4Å; I483-I504 HydrophobicContact CD1-CG1 4.39Å; I483-I504 HydrophobicContact CG2-CG2 4.28Å; I483-I504 CarbonylContact O-C 3.59Å; I483-I504 VanDerWaalsContact O-CA 3.27Å; I483-I504 WeakPolarHBondContact O-CA 3.37Å; I483-V505 PolarHBondContact O-N 2.77Å
484I98.3Very high97.1Very high0 Ų044.4 Ų44.40%025%0.247CC..EExtended strand (participates in β ladder)trans-121.9120.9-179.9-49.3-179.6000108.8T465 V466 S467 V470 F472 V482 I492 I494 L500 V505T465-I484 PolarHBondContact O-N 3.18Å; V466-I484 CarbonylContact C-O 3.55Å; V466-I484 WeakPolarHBondContact CA-O 3.25Å; V466-I484 HydrophobicContact CG1-CB 4.42Å; S467-I484 PolarHBondContact N-O 3.36Å; V470-I484 HydrophobicContact CG1-CG2 3.96Å; V470-I484 HydrophobicContact CG2-CG2 3.99Å; F472-I484 HydrophobicContact CE1-CD1 3.71Å; F472-I484 HydrophobicContact CZ-CD1 3.73Å; V482-I484 HydrophobicContact CG1-CD1 4.19Å; V482-I484 HydrophobicContact CG1-CG1 3.93Å; I484-I492 HydrophobicContact CG2-CD1 4.18Å; I484-I492 HydrophobicContact CG2-CG2 4.36Å; I484-I494 HydrophobicContact CD1-CD1 4.08Å; I484-I494 HydrophobicContact CD1-CG1 4.14Å; I484-I494 HydrophobicContact CG2-CD1 4.46Å; I484-L500 HydrophobicContact CD1-CD1 3.92Å; I484-V505 CarbonylContact C-O 3.57Å; I484-V505 VanDerWaalsContact CA-O 3.28Å; I484-V505 WeakPolarHBondContact CA-O 3.4Å; I484-V505 HydrophobicContact CG1-CB 4.33Å; I484-V505 HydrophobicContact CG2-CB 4.31Å; I484-V505 HydrophobicContact CG2-CG1 4.48Å
485I97.7Very high97Very high60 Ų6039.8 Ų39.831%0.30823%0.232SC..EExtended strand (participates in β ladder)trans-129.4106.6-175.1-53.7176.1000109.8I483 I492 V505 S506I483-I485 HydrophobicContact CG2-CD1 3.83Å; I483-I485 HydrophobicContact CG2-CG1 3.83Å; I485-I492 WeakPolarHBondContact O-CD1 3.3Å; I485-V505 PolarHBondContact N-O 3.02Å; I485-S506 VanDerWaalsContact O-CA 3.3Å; I485-S506 WeakPolarHBondContact O-CA 3.35Å
486A97.2Very high97Very high4 Ų442.2 Ų42.23%0.03324%0.24CC..  trans-93.5112.7163.900000108.7S467 G468 V470 I492S467-A486 PolarHBondContact O-N 3.07Å; G468-A486 WeakPolarHBondContact CA-O 3.1Å; V470-A486 HydrophobicContact CG2-CB 3.99Å; A486-I492 HydrophobicContact CB-CD1 3.93Å; A486-I492 HydrophobicContact CB-CG1 3.95Å
487N94.7Very high97Very high102 Ų10244.5 Ų44.555%0.54526%0.264SS..  trans-65.8164.5176-71.3-21.2000111.3G489 N490N487-G489 PolarHBondContact O-N 3.1Å; N487-N490 WeakPolarHBondContact O-CB 3.48Å; N487-N490 PolarHBondContact O-N 2.88Å
488F93Very high96.9Very high217 Ų21744.3 Ų44.395%0.95226%0.264SS*.THydrogen-bonded Turntrans-51.2128.6177.8-176.6-95.4000111.7N490F488-N490 VanDerWaalsContact C-N 3.28Å; F488-N490 PolarHBondContact O-N 2.94Å
489G93Very high96.9Very high64 Ų6449.7 Ų49.766%0.6629%0.292SS*.THydrogen-bonded Turntrans83.9-11.9-177.200000115.4N487N487-G489 PolarHBondContact O-N 3.1Å
490N95.7Very high96.9Very high48 Ų4848.6 Ų48.626%0.25729%0.288SS..  trans-94.9155.6176.1-64.6-18.1000111.4N487 F488 G507 N508N487-N490 WeakPolarHBondContact O-CB 3.48Å; N487-N490 PolarHBondContact O-N 2.88Å; F488-N490 VanDerWaalsContact C-N 3.28Å; F488-N490 PolarHBondContact O-N 2.94Å; N490-G507 WeakPolarHBondContact CB-O 3.16Å; N490-N508 HydrophobicContact CB-CB 3.85Å
491L96.2Very high97Very high22 Ų2253 Ų5312%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-130141.3174.3174.9158.5000109.3D469 Y471 N493 N508 L509 R510D469-L491 HydrophobicContact CB-CB 4.44Å; D469-L491 CarbonylContact O-C 3.54Å; D469-L491 VanDerWaalsContact O-CA 3.29Å; D469-L491 WeakPolarHBondContact O-CA 3.25Å; Y471-L491 HydrophobicContact CD2-CD1 4.19Å; Y471-L491 HydrophobicContact CD2-CG 4.31Å; Y471-L491 HydrophobicContact CE2-CD1 3.87Å; Y471-L491 HydrophobicContact CE2-CG 4.4Å; L491-N493 HydrophobicContact CD2-CB 4.47Å; L491-N493 WeakPolarHBondContact CD2-OD1 3.49Å; L491-N508 PolarHBondContact N-OD1 3.23Å; L491-N508 VanDerWaalsContact N-OD1 3.1Å; L491-N508 CarbonylContact O-C 3.5Å; L491-N508 WeakPolarHBondContact O-CA 3.32Å; L491-N508 PolarHBondContact O-OD1 2.85Å; L491-L509 CarbonylContact O-C 3.56Å; L491-L509 PolarHBondContact O-N 3.1Å; L491-R510 HydrophobicContact CD2-CG 3.81Å
492I98.1Very high97Very high4 Ų454.8 Ų54.82%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-123114.9175.1-63.1174.2000109.6D469 V470 Y471 I484 I485 A486 I494 V505D469-I492 PolarHBondContact O-N 3.09Å; V470-I492 CarbonylContact C-O 3.48Å; V470-I492 WeakPolarHBondContact CA-O 3.23Å; V470-I492 HydrophobicContact CG2-CB 4.41Å; Y471-I492 PolarHBondContact N-O 2.87Å; I484-I492 HydrophobicContact CG2-CD1 4.18Å; I484-I492 HydrophobicContact CG2-CG2 4.36Å; I485-I492 WeakPolarHBondContact O-CD1 3.3Å; A486-I492 HydrophobicContact CB-CD1 3.93Å; A486-I492 HydrophobicContact CB-CG1 3.95Å; I492-I494 HydrophobicContact CG2-CD1 3.62Å; I492-I494 HydrophobicContact CG2-CG1 4.35Å; I492-V505 HydrophobicContact CG2-CG1 4.49Å
493N97.6Very high96.9Very high31 Ų3160.8 Ų60.817%0.16634%0.341CS..EExtended strand (participates in β ladder)trans-93.1113.2166.4-71-14.7000108.6Y471 L491 P495 L509 I511Y471-N493 WeakPolarHBondContact CB-OD1 3.23Å; L491-N493 HydrophobicContact CD2-CB 4.47Å; L491-N493 WeakPolarHBondContact CD2-OD1 3.49Å; N493-P495 WeakPolarHBondContact O-CD 3.49Å; N493-L509 PolarHBondContact N-O 2.84Å; N493-I511 HydrophobicContact CB-CB 3.98Å; N493-I511 HydrophobicContact CB-CD1 3.86Å; N493-I511 HydrophobicContact CB-CG1 3.83Å; N493-I511 PolarHBondContact ND2-N 3.14Å; N493-I511 PolarHBondContact ND2-O 3.08Å; N493-I511 VanDerWaalsContact ND2-O 3.14Å; N493-I511 WeakPolarHBondContact O-CD1 3.44Å
494I97.8Very high96.8Very high10 Ų1064.7 Ų64.75%0.05136%0.36CS..EExtended strand (participates in β ladder)trans-77.4116.7170.4-56.5-58.4000108V470 Y471 F472 G473 V476 I484 I492 L500 V505V470-I494 HydrophobicContact CG1-CG1 4.35Å; Y471-I494 PolarHBondContact O-N 2.9Å; F472-I494 HydrophobicContact CD1-CB 4.2Å; F472-I494 HydrophobicContact CD1-CG1 4.12Å; F472-I494 HydrophobicContact CD1-CG2 4.45Å; F472-I494 HydrophobicContact CE1-CG1 4.16Å; G473-I494 PolarHBondContact N-O 3.18Å; V476-I494 HydrophobicContact CG1-CG2 4.26Å; V476-I494 HydrophobicContact CG2-CG2 3.94Å; I484-I494 HydrophobicContact CD1-CD1 4.08Å; I484-I494 HydrophobicContact CD1-CG1 4.14Å; I484-I494 HydrophobicContact CG2-CD1 4.46Å; I492-I494 HydrophobicContact CG2-CD1 3.62Å; I492-I494 HydrophobicContact CG2-CG1 4.35Å; I494-L500 HydrophobicContact CD1-CD1 4.35Å; I494-L500 HydrophobicContact CG2-CD1 4.4Å; I494-V505 HydrophobicContact CD1-CG1 4.37Å
495P96.3Very high96.7Very high49 Ų4966.5 Ų66.532%0.31837%0.371SS..PPolyproline II helixtrans-58150.3-176.7-16.221.8000112.8N493 S498 I511N493-P495 WeakPolarHBondContact O-CD 3.49Å; P495-S498 WeakPolarHBondContact CD-OG 3.44Å; P495-S498 VanDerWaalsContact O-CB 3.32Å; P495-S498 WeakPolarHBondContact O-CB 3.46Å; P495-S498 PolarHBondContact O-N 3.24Å; P495-S498 PolarHBondContact O-OG 2.66Å; P495-I511 HydrophobicContact CB-CD1 3.86Å; P495-I511 HydrophobicContact CG-CD1 3.66Å
496P96.9Very high96.6Very high92 Ų9267.7 Ų67.760%0.59739%0.385SS*.THydrogen-bonded Turntrans-53.4141.5170.2-23.233.3000112.3K474 S498K474-P496 CarbonylContact O-C 3.57Å; K474-P496 VanDerWaalsContact O-CA 3.23Å; K474-P496 WeakPolarHBondContact O-CA 3.49Å; K474-P496 WeakPolarHBondContact O-CB 3.32Å; P496-S498 PolarHBondContact O-N 2.76Å
497G96.9Very high96.4Very high50 Ų5068.9 Ų68.952%0.51540%0.398SS..THydrogen-bonded Turntrans73.73.1179.900000115.5K474 G475 I499K474-G497 PolarHBondContact O-N 2.93Å; G475-G497 WeakPolarHBondContact O-CA 3.37Å; G497-I499 PolarHBondContact O-N 2.92Å
498S97.7Very high96.4Very high25 Ų2568.4 Ų68.418%0.17540%0.395CS..  trans-61.7134.5180-62.90000111.8V476 V477 P495 P496V476-S498 WeakPolarHBondContact CA-O 3.3Å; V477-S498 PolarHBondContact N-O 2.96Å; P495-S498 WeakPolarHBondContact CD-OG 3.44Å; P495-S498 VanDerWaalsContact O-CB 3.32Å; P495-S498 WeakPolarHBondContact O-CB 3.46Å; P495-S498 PolarHBondContact O-N 3.24Å; P495-S498 PolarHBondContact O-OG 2.66Å; P496-S498 PolarHBondContact O-N 2.76Å
499I98.1Very high96.5Very high114 Ų11462.2 Ų62.259%0.58537%0.372SS*.EExtended strand (participates in β ladder)trans-109.2114.6172.6-53178000107.7V477 G497V477-I499 HydrophobicContact CB-CG1 4.19Å; V477-I499 HydrophobicContact CB-CG2 4.27Å; V477-I499 HydrophobicContact CG1-CG2 4.37Å; V477-I499 HydrophobicContact CG2-CG1 4.42Å; V477-I499 WeakPolarHBondContact O-CA 3.35Å; G497-I499 PolarHBondContact O-N 2.92Å
500L97.9Very high96.4Very high22 Ų2267.2 Ų67.212%0.11537%0.371CS..EExtended strand (participates in β ladder)trans-111.5112.2177.3-59179.2000109.1V477 L478 K479 V482 I484 I494 V505V477-L500 PolarHBondContact O-N 3.18Å; L478-L500 WeakPolarHBondContact CA-O 3.33Å; L478-L500 HydrophobicContact CD2-CB 3.9Å; L478-L500 HydrophobicContact CD2-CD1 3.94Å; L478-L500 HydrophobicContact CD2-CG 4.23Å; K479-L500 PolarHBondContact N-O 3.28Å; V482-L500 HydrophobicContact CG1-CB 4.07Å; V482-L500 HydrophobicContact CG1-CD1 4.05Å; V482-L500 HydrophobicContact CG2-CB 4.06Å; V482-L500 VanDerWaalsContact CG2-O 3.29Å; V482-L500 WeakPolarHBondContact CG2-O 3.29Å; I484-L500 HydrophobicContact CD1-CD1 3.92Å; I494-L500 HydrophobicContact CD1-CD1 4.35Å; I494-L500 HydrophobicContact CG2-CD1 4.4Å; L500-V505 HydrophobicContact CD1-CG2 4.2Å; L500-V505 HydrophobicContact CD2-CG2 4.1Å
501E98.1Very high96.2Very high100 Ų10068.4 Ų68.447%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-126.4118179.8-179.9175.2-177.700110.6K479 K503K479-E501 HydrophobicContact CB-CB 3.88Å; K479-E501 HydrophobicContact CB-CG 3.78Å; K479-E501 WeakPolarHBondContact O-CA 3.42Å; E501-K503 VanDerWaalsContact C-N 3.29Å; E501-K503 WeakPolarHBondContact O-CG 3.43Å; E501-K503 PolarHBondContact O-N 2.96Å
502N97.9Very high95.8Very high97 Ų9774.3 Ų74.352%0.51941%0.407SS..EExtended strand (participates in β ladder)trans53.444.8177.9-62.2-48.4000112.8K479 G480 T481K479-N502 PolarHBondContact O-N 2.81Å; G480-N502 WeakPolarHBondContact CA-OD1 3.36Å; T481-N502 PolarHBondContact N-OD1 3.43Å; T481-N502 CarbonylContact O-C 3.57Å; T481-N502 WeakPolarHBondContact O-CA 3.32Å; T481-N502 PolarHBondContact O-N 3.13Å
503K97.1Very high95.3Very high126 Ų12682.2 Ų82.255%0.54845%0.449SS..EExtended strand (participates in β ladder)trans-122.5148.2-176.3-61.9-52.5173.6-173.40112.9T481 V482 I483 E501T481-K503 PolarHBondContact O-N 2.92Å; T481-K503 VanDerWaalsContact O-N 3.13Å; V482-K503 WeakPolarHBondContact CA-O 3.44Å; I483-K503 PolarHBondContact N-O 3.26Å; E501-K503 VanDerWaalsContact C-N 3.29Å; E501-K503 WeakPolarHBondContact O-CG 3.43Å; E501-K503 PolarHBondContact O-N 2.96Å
504I96.8Very high94.6Very high121 Ų12192.9 Ų92.962%0.62150%0.498SS*.EExtended strand (participates in β ladder)trans-105.9122.9162.4-53-177.5000107.2I483I483-I504 HydrophobicContact CB-CG1 4.19Å; I483-I504 HydrophobicContact CB-CG2 4.24Å; I483-I504 HydrophobicContact CD1-CD1 4.4Å; I483-I504 HydrophobicContact CD1-CG1 4.39Å; I483-I504 HydrophobicContact CG2-CG2 4.28Å; I483-I504 CarbonylContact O-C 3.59Å; I483-I504 VanDerWaalsContact O-CA 3.27Å; I483-I504 WeakPolarHBondContact O-CA 3.37Å
505V96.1Very high94.5Very high38 Ų3897.1 Ų97.123%0.2352%0.52CS..EExtended strand (participates in β ladder)trans-111.2120.5176.6-177.90000107.9I483 I484 I485 I492 I494 L500I483-V505 PolarHBondContact O-N 2.77Å; I484-V505 CarbonylContact C-O 3.57Å; I484-V505 VanDerWaalsContact CA-O 3.28Å; I484-V505 WeakPolarHBondContact CA-O 3.4Å; I484-V505 HydrophobicContact CG1-CB 4.33Å; I484-V505 HydrophobicContact CG2-CB 4.31Å; I484-V505 HydrophobicContact CG2-CG1 4.48Å; I485-V505 PolarHBondContact N-O 3.02Å; I492-V505 HydrophobicContact CG2-CG1 4.49Å; I494-V505 HydrophobicContact CD1-CG1 4.37Å; L500-V505 HydrophobicContact CD1-CG2 4.2Å; L500-V505 HydrophobicContact CD2-CG2 4.1Å
506S95.6Very high94.4Very high85 Ų8599.6 Ų99.659%0.59453%0.531SS*.EExtended strand (participates in β ladder)trans-141.1146.6175.762.90000110.6I485I485-S506 VanDerWaalsContact O-CA 3.3Å; I485-S506 WeakPolarHBondContact O-CA 3.35Å
507G93.1Very high94.2Very high29 Ų29100 Ų10030%0.29953%0.527SS..SBendtrans146.7-147.1176.500000112.9N490N490-G507 WeakPolarHBondContact CB-O 3.16Å
508N94.6Very high94.1Very high93 Ų93102.9 Ų102.950%0.49753%0.528SS..  trans-141.6113.5177.2-17111.6000108N490 L491N490-N508 HydrophobicContact CB-CB 3.85Å; L491-N508 PolarHBondContact N-OD1 3.23Å; L491-N508 VanDerWaalsContact N-OD1 3.1Å; L491-N508 CarbonylContact O-C 3.5Å; L491-N508 WeakPolarHBondContact O-CA 3.32Å; L491-N508 PolarHBondContact O-OD1 2.85Å
509L94.6Very high93.8Very high87 Ų87107.8 Ų107.846%0.45555%0.55SS..BIsolated β-bridgetrans-138.5110.6-178179.164.4000109.2L491 N493 I511L491-L509 CarbonylContact O-C 3.56Å; L491-L509 PolarHBondContact O-N 3.1Å; N493-L509 PolarHBondContact N-O 2.84Å; L509-I511 HydrophobicContact CG-CG1 4.47Å
510R92.1Very high93.5Very high169 Ų169107.4 Ų107.464%0.63855%0.547SS*.  trans-103.4127.2171.4-70.9-176.9-177.4-173.21.5109.6L491L491-R510 HydrophobicContact CD2-CG 3.81Å
511I90.4Very high93.2Very high72 Ų72113.5 Ų113.537%0.36958%0.578SS.*  trans-106.6124.8171.3-59.1172.8000106.4N493 P495 L509N493-I511 HydrophobicContact CB-CB 3.98Å; N493-I511 HydrophobicContact CB-CD1 3.86Å; N493-I511 HydrophobicContact CB-CG1 3.83Å; N493-I511 PolarHBondContact ND2-N 3.14Å; N493-I511 PolarHBondContact ND2-O 3.08Å; N493-I511 VanDerWaalsContact ND2-O 3.14Å; N493-I511 WeakPolarHBondContact O-CD1 3.44Å; P495-I511 HydrophobicContact CB-CD1 3.86Å; P495-I511 HydrophobicContact CG-CD1 3.66Å; L509-I511 HydrophobicContact CG-CG1 4.47Å
512L87.7Confident92.9Very high147 Ų147114.5 Ų114.577%0.7759%0.587SS**  trans-116.3145.9179.9-60.2174.9000109
513D88Confident92.4Very high170 Ų170116 Ų11691%0.90959%0.593SS**  trans-67.6136.7171.3-62.6-31.2000109.2
514H83.2Confident92Very high255 Ų255115.1 Ų115.1100%1.18160%0.597SS**  trans-960176.7-178.6-55.1000110.8

Retrieved 514 of 514 residues in 1059.5 ms (Link to these results)

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