OXDA_HUMAN Loading...

D-amino-acid oxidase

Catalyzes the oxidative deamination of D-amino acids with broad substrate specificity1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21. Required to catabolize D-amino acids synthesized endogenously, of gastrointestinal bacterial origin or obtained from the diet, and to use these as nutrients (By similarity). Regulates the level of D-amino acid neurotransmitters in the brain, such as D-serine, a co-agonist of N-methyl D-aspartate (NMDA) receptors, and may modulate synaptic transmission22. Catalyzes the first step of the racemization of D-DOPA to L-DOPA, for possible use in an alternative dopamine biosynthesis pathway23. Also catalyzes the first step of the chiral inversion of N(gamma)-nitro-D-arginine methyl ester (D-NNA) to its L-enantiomer L-NNA that acts as a nitric oxide synthase inhibitor (By similarity). The hydrogen peroxide produced in the reaction provides protection against microbial infection; it contributes to the oxidative killing activity of phagocytic leukocytes and protects against bacterial colonization of the small intestine (By similarity). Enzyme secreted into the lumen of the intestine may not be catalytically active and could instead be proteolytically cleaved into peptides with antimicrobial activity (By similarity). The hydrogen peroxide produced in the reaction may also play a role in promoting cellular senescence in response to DNA damage24. Could act as a detoxifying agent which removes D-amino acids accumulated during aging25.

AlphaFold DB , UniProt , Accession P14920, Species HUMAN (Homo sapiens, Human), Gene DAO, Length 347 aa.

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

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
1M93.3Very high98.1Very high30 Ų3019.4 Ų19.415%0.14810%0.099CC..  0119.90-161.662.171.200107.6V3 L27 P29 L30 D31 D176 V177 F330 L334 K337M1-V3 HydrophobicContact CG-CG2 4.1Å; M1-L27 HydrophobicContact CB-CD2 3.65Å; M1-L27 HydrophobicContact CG-CD2 4.45Å; M1-P29 PolarHBondContact N-O 3.46Å; M1-L30 HydrophobicContact CB-CD1 4.42Å; M1-D31 PolarHBondContact O-N 3.04Å; M1-D176 VanDerWaalsContact CA-OD2 3.25Å; M1-D176 WeakPolarHBondContact CA-OD2 3.46Å; M1-D176 HydrophobicContact CG-CB 4.2Å; M1-D176 HydrophobicContact SD-CB 3.19Å; M1-D176 WeakPolarHBondContact SD-CB 3.41Å; M1-V177 HydrophobicContact CG-CG2 4.22Å; M1-V177 HydrophobicContact SD-CG2 4.1Å; M1-F330 HydrophobicContact CB-CZ 4.48Å; M1-F330 HydrophobicContact CG-CE2 4.04Å; M1-F330 HydrophobicContact CG-CZ 3.91Å; M1-L334 HydrophobicContact CE-CD2 3.53Å; M1-L334 HydrophobicContact CG-CD2 4.34Å; M1-K337 HydrophobicContact CE-CD 3.52Å; M1-K337 HydrophobicContact SD-CD 4.33Å
2R96.8Very high98.2Very high117 Ų11717.8 Ų17.844%0.4429%0.091SC..EExtended strand (participates in β ladder)trans-95113.7175.1-68.4173.7-70.6173.36.6108D31 G174 D176 V177R2-D31 CarbonylContact C-O 3.57Å; R2-D31 WeakPolarHBondContact CA-O 3.32Å; R2-D31 HydrophobicContact CG-CB 4.34Å; R2-G174 PolarHBondContact NE-O 2.88Å; R2-G174 PolarHBondContact NH1-O 3.19Å; R2-G174 PolarHBondContact NH2-O 3.42Å; R2-D176 PolarHBondContact N-OD2 3.3Å; R2-D176 IonicContact NE-OD2 3.68Å; R2-D176 IonicContact NH2-OD1 3.2Å; R2-D176 PolarHBondContact O-N 3.02Å; R2-V177 PolarHBondContact O-N 3.1Å
3V98.5Very high98.2Very high1 Ų116.4 Ų16.41%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-112.6125.3-177.2-172.50000108.6M1 V5 L30 D31 I32 K33 V177 V179 F330M1-V3 HydrophobicContact CG-CG2 4.1Å; V3-V5 HydrophobicContact CG1-CG2 4.37Å; V3-L30 HydrophobicContact CG2-CD1 3.93Å; V3-D31 PolarHBondContact N-O 3.08Å; V3-I32 HydrophobicContact CB-CG1 4.21Å; V3-I32 WeakPolarHBondContact O-CA 3.35Å; V3-K33 PolarHBondContact O-N 2.89Å; V3-V177 WeakPolarHBondContact CA-O 3.46Å; V3-V177 HydrophobicContact CG1-CB 4.47Å; V3-V177 HydrophobicContact CG2-CB 4.45Å; V3-V179 HydrophobicContact CG1-CG2 3.91Å; V3-F330 HydrophobicContact CG2-CE2 3.5Å; V3-F330 HydrophobicContact CG2-CZ 3.78Å
4V98.7Very high98.3Very high9 Ų915.2 Ų15.26%0.0558%0.078CC..EExtended strand (participates in β ladder)trans-111.4114.9172.5178.70000108.6I6 K33 Y35 V170 A175 V177 I178 V179V4-I6 HydrophobicContact CG1-CG1 4.2Å; V4-K33 WeakPolarHBondContact CA-O 3.42Å; V4-Y35 HydrophobicContact CG1-CD1 4.3Å; V4-Y35 HydrophobicContact CG1-CD2 3.47Å; V4-Y35 VanDerWaalsContact CG1-CD2 3.47Å; V4-Y35 HydrophobicContact CG1-CE2 3.8Å; V4-Y35 HydrophobicContact CG1-CG 3.76Å; V4-Y35 HydrophobicContact CG2-CE2 4.45Å; V4-V170 HydrophobicContact CB-CG1 3.7Å; V4-V170 HydrophobicContact CG1-CG1 3.7Å; V4-V170 HydrophobicContact CG2-CG1 3.85Å; V4-A175 HydrophobicContact CB-CB 4.31Å; V4-A175 HydrophobicContact CG2-CB 3.81Å; V4-V177 PolarHBondContact N-O 2.83Å; V4-I178 CarbonylContact O-C 3.59Å; V4-I178 WeakPolarHBondContact O-CA 3.43Å; V4-V179 PolarHBondContact O-N 3.1Å
5V98.9Very high98.3Very high0 Ų014.2 Ų14.20%07%0.072CC..EExtended strand (participates in β ladder)trans-92.4122.1172-175.80000108.3V3 A16 I32 K33 V34 Y35 V179V3-V5 HydrophobicContact CG1-CG2 4.37Å; V5-A16 HydrophobicContact CB-CB 4.5Å; V5-A16 HydrophobicContact CG2-CB 3.94Å; V5-I32 HydrophobicContact CG2-CG2 4.23Å; V5-K33 PolarHBondContact N-O 3.11Å; V5-V34 HydrophobicContact CB-CG2 4.38Å; V5-V34 CarbonylContact O-C 3.56Å; V5-V34 WeakPolarHBondContact O-CA 3.29Å; V5-Y35 PolarHBondContact O-N 3.46Å; V5-V179 WeakPolarHBondContact CA-O 3.13Å; V5-V179 HydrophobicContact CB-CB 4.38Å; V5-V179 HydrophobicContact CG1-CB 4.27Å; V5-V179 HydrophobicContact CG2-CB 4.04Å; V5-V179 HydrophobicContact CG2-CG2 4.15Å
6I98.9Very high98.4Very high7 Ų713.3 Ų13.34%0.0367%0.068CC..EExtended strand (participates in β ladder)trans-101.2112.6180-49174.3000108.6V4 Y35 V164 F167 V170 I178 V179 C181 T182 L189V4-I6 HydrophobicContact CG1-CG1 4.2Å; I6-Y35 CarbonylContact C-O 3.59Å; I6-Y35 VanDerWaalsContact CA-O 3.32Å; I6-Y35 WeakPolarHBondContact CA-O 3.45Å; I6-V164 HydrophobicContact CD1-CG1 4.12Å; I6-V164 HydrophobicContact CD1-CG2 4.32Å; I6-V164 HydrophobicContact CG1-CG2 4.46Å; I6-V164 HydrophobicContact CG2-CB 4.35Å; I6-V164 HydrophobicContact CG2-CG2 4.01Å; I6-F167 HydrophobicContact CD1-CD1 4.17Å; I6-F167 HydrophobicContact CD1-CE1 4.15Å; I6-V170 HydrophobicContact CD1-CG2 4.31Å; I6-I178 HydrophobicContact CD1-CG2 3.51Å; I6-I178 HydrophobicContact CG1-CG2 4.01Å; I6-V179 PolarHBondContact N-O 3.15Å; I6-C181 CarbonylContact O-C 3.52Å; I6-C181 VanDerWaalsContact O-CA 3.23Å; I6-C181 WeakPolarHBondContact O-CA 3.37Å; I6-C181 WeakPolarHBondContact O-CB 3.29Å; I6-C181 PolarHBondContact O-N 3.49Å; I6-T182 HydrophobicContact CB-CG2 4.07Å; I6-T182 HydrophobicContact CG2-CG2 3.48Å; I6-T182 VanDerWaalsContact CG2-CG2 3.48Å; I6-T182 PolarHBondContact O-N 3.48Å; I6-L189 HydrophobicContact CD1-CD1 4.1Å; I6-L189 HydrophobicContact CG2-CD1 4.44Å
7G98.8Very high98.4Very high11 Ų1112.5 Ų12.511%0.1136%0.064CC..  trans116.8133-17800000112.3G12 Y35G7-G12 WeakPolarHBondContact O-CA 3.43Å; G7-Y35 PolarHBondContact N-O 2.96Å
8A98.9Very high98.4Very high2 Ų212.2 Ų12.22%0.0176%0.063CC..  trans-116.621.7-179.700000113.2L13 V34 A36 F39A8-L13 HydrophobicContact CB-CD2 4.06Å; A8-V34 HydrophobicContact CB-CG1 4.18Å; A8-A36 HydrophobicContact CB-CB 3.6Å; A8-F39 HydrophobicContact CB-CD1 3.32Å; A8-F39 HydrophobicContact CB-CE1 3.34Å; A8-F39 HydrophobicContact CB-CG 4.2Å; A8-F39 HydrophobicContact CB-CZ 4.25Å
9G98.8Very high98.4Very high16 Ų1611.5 Ų11.517%0.1656%0.059CC..SBendtrans-78.4-175.7163.800000111.6I11 G12 L13 L145G9-I11 PolarHBondContact O-N 3.4Å; G9-I11 VanDerWaalsContact O-N 3.13Å; G9-G12 PolarHBondContact O-N 2.95Å; G9-G12 VanDerWaalsContact O-N 3.12Å; G9-L13 PolarHBondContact O-N 3.37Å; G9-L13 VanDerWaalsContact O-N 3.09Å; G9-L145 VanDerWaalsContact C-CD2 3.48Å
10V98.9Very high98.4Very high4 Ų411.7 Ų11.72%0.0246%0.06CC..Hα-helixtrans-57.2-39.5-171.363.30000112.1S14 T45 Y144 L145 L316 H319V10-S14 WeakPolarHBondContact O-CB 3.4Å; V10-S14 PolarHBondContact O-N 3.23Å; V10-S14 PolarHBondContact O-OG 3.17Å; V10-T45 HydrophobicContact CB-CG2 3.77Å; V10-T45 HydrophobicContact CG1-CG2 4.2Å; V10-T45 PolarHBondContact N-OG1 3.16Å; V10-T45 VanDerWaalsContact N-OG1 3.09Å; V10-Y144 HydrophobicContact CG2-CD1 3.86Å; V10-Y144 HydrophobicContact CG2-CE1 3.72Å; V10-L145 HydrophobicContact CB-CD2 4.32Å; V10-L316 HydrophobicContact CB-CD2 4.19Å; V10-L316 HydrophobicContact CG1-CD2 4.25Å; V10-L316 HydrophobicContact CG2-CD2 4.04Å; V10-H319 HydrophobicContact CG1-CB 4.32Å; V10-H319 HydrophobicContact CG2-CB 3.73Å
11I98.9Very high98.3Very high16 Ų1615.4 Ų15.48%0.0828%0.077CC..Hα-helixtrans-66.2-45.4-178-54.7-59.1000111.5G9 S14 T15 C181 N308 H319G9-I11 PolarHBondContact O-N 3.4Å; G9-I11 VanDerWaalsContact O-N 3.13Å; I11-S14 PolarHBondContact O-OG 3.47Å; I11-T15 WeakPolarHBondContact O-CB 3.37Å; I11-T15 PolarHBondContact O-N 2.96Å; I11-T15 PolarHBondContact O-OG1 3.46Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.15Å; I11-N308 HydrophobicContact CG2-CB 4.06Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.08Å; I11-N308 VanDerWaalsContact CG2-O 3.31Å; I11-N308 WeakPolarHBondContact CG2-O 3.41Å; I11-H319 HydrophobicContact CD1-CB 3.84Å
12G98.9Very high98.5Very high0 Ų021.1 Ų21.10%010%0.097CC..Hα-helixtrans-64.5-51179.500000112.1G7 G9 T15 A16 C181G7-G12 WeakPolarHBondContact O-CA 3.43Å; G9-G12 PolarHBondContact O-N 2.95Å; G9-G12 VanDerWaalsContact O-N 3.12Å; G12-T15 PolarHBondContact O-N 3Å; G12-A16 WeakPolarHBondContact O-CB 3.5Å; G12-A16 PolarHBondContact O-N 3.46Å; G12-C181 VanDerWaalsContact CA-CB 3.48Å
13L98.9Very high98.6Very high0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-68.1-43.1-176.6-59.8-168000112.7A8 G9 A16 L17 V34 L145 L148 T149 L152 F159A8-L13 HydrophobicContact CB-CD2 4.06Å; G9-L13 PolarHBondContact O-N 3.37Å; G9-L13 VanDerWaalsContact O-N 3.09Å; L13-A16 PolarHBondContact O-N 3Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.28Å; L13-V34 HydrophobicContact CD2-CG1 4.19Å; L13-L145 HydrophobicContact CD1-CB 4.27Å; L13-L145 HydrophobicContact CD1-CD2 3.68Å; L13-L145 HydrophobicContact CG-CD2 4.27Å; L13-L148 HydrophobicContact CB-CB 3.87Å; L13-L148 HydrophobicContact CB-CD1 3.79Å; L13-L148 HydrophobicContact CB-CG 4.42Å; L13-L148 HydrophobicContact CD1-CB 4.05Å; L13-T149 WeakPolarHBondContact CD1-OG1 3.38Å; L13-L152 HydrophobicContact CB-CD1 4.16Å; L13-L152 HydrophobicContact CD2-CD1 4.05Å; L13-F159 HydrophobicContact CD2-CE1 3.73Å; L13-F159 HydrophobicContact CD2-CZ 4.45Å
14S98.9Very high98.5Very high0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-65.7-39.2176.759.10000112.4V10 I11 L17 C18V10-S14 WeakPolarHBondContact O-CB 3.4Å; V10-S14 PolarHBondContact O-N 3.23Å; V10-S14 PolarHBondContact O-OG 3.17Å; I11-S14 PolarHBondContact O-OG 3.47Å; S14-L17 PolarHBondContact O-N 3.15Å; S14-C18 VanDerWaalsContact O-CB 3.31Å; S14-C18 WeakPolarHBondContact O-CB 3.46Å; S14-C18 PolarHBondContact O-N 3Å
15T98.9Very high98.3Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-64.7-43.3175.4-57.10000111.4I11 G12 L17 C18 I19 V179 N308 A326I11-T15 WeakPolarHBondContact O-CB 3.37Å; I11-T15 PolarHBondContact O-N 2.96Å; I11-T15 PolarHBondContact O-OG1 3.46Å; G12-T15 PolarHBondContact O-N 3Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 3.14Å; T15-C18 PolarHBondContact O-N 3.07Å; T15-I19 HydrophobicContact CG2-CD1 3.86Å; T15-I19 HydrophobicContact CG2-CG1 4.42Å; T15-I19 WeakPolarHBondContact O-CG1 3.39Å; T15-I19 PolarHBondContact O-N 3.42Å; T15-V179 HydrophobicContact CG2-CG1 3.76Å; T15-N308 PolarHBondContact OG1-ND2 3.31Å; T15-A326 HydrophobicContact CG2-CB 3.6Å
16A98.9Very high98Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-58.7-45.1175.300000111.5V5 G12 L13 H20 V34 L152V5-A16 HydrophobicContact CB-CB 4.5Å; V5-A16 HydrophobicContact CG2-CB 3.94Å; G12-A16 WeakPolarHBondContact O-CB 3.5Å; G12-A16 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3Å; A16-H20 WeakPolarHBondContact O-CB 3.33Å; A16-H20 PolarHBondContact O-N 3.43Å; A16-V34 HydrophobicContact CB-CG2 4.29Å; A16-L152 HydrophobicContact CB-CD1 4.14Å; A16-L152 HydrophobicContact CB-CD2 3.91Å
17L98.6Very high97.6Very high0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-65.2-47.7-179.9-17962000110.7L13 S14 T15 I19 H20 E21 W147 L148 R151 L152L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.28Å; S14-L17 PolarHBondContact O-N 3.15Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 3.14Å; L17-I19 PolarHBondContact O-N 2.95Å; L17-H20 PolarHBondContact O-N 3Å; L17-H20 VanDerWaalsContact O-N 3.16Å; L17-E21 HydrophobicContact CD1-CG 3.99Å; L17-E21 HydrophobicContact CG-CG 4.34Å; L17-E21 WeakPolarHBondContact O-CG 3.14Å; L17-E21 PolarHBondContact O-N 2.94Å; L17-W147 HydrophobicContact CD2-CZ3 4.16Å; L17-L148 HydrophobicContact CD2-CD2 3.56Å; L17-R151 HydrophobicContact CD1-CB 4.39Å; L17-L152 HydrophobicContact CB-CD2 4.05Å; L17-L152 HydrophobicContact CB-CG 4.34Å; L17-L152 HydrophobicContact CD1-CD2 4.34Å
18C98.7Very high97.1Very high6 Ų635.9 Ų35.94%0.04118%0.184CC..Hα-helixtrans-61.5-41.5-179.9-173.30000112.3S14 T15 R22 W320 A323S14-C18 VanDerWaalsContact O-CB 3.31Å; S14-C18 WeakPolarHBondContact O-CB 3.46Å; S14-C18 PolarHBondContact O-N 3Å; T15-C18 PolarHBondContact O-N 3.07Å; C18-R22 VanDerWaalsContact O-CB 3.32Å; C18-R22 WeakPolarHBondContact O-CB 3.46Å; C18-R22 PolarHBondContact O-N 3.09Å; C18-W320 HydrophobicContact CB-CH2 4.23Å; C18-W320 HydrophobicContact CB-CZ3 4.36Å; C18-A323 HydrophobicContact CB-CB 3.88Å
19I98.7Very high96.7Very high0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-63.6-46.2174.5-70.2170.3000110.2T15 L17 R22 Y23 I32 V179 A327 F330T15-I19 HydrophobicContact CG2-CD1 3.86Å; T15-I19 HydrophobicContact CG2-CG1 4.42Å; T15-I19 WeakPolarHBondContact O-CG1 3.39Å; T15-I19 PolarHBondContact O-N 3.42Å; L17-I19 PolarHBondContact O-N 2.95Å; I19-R22 PolarHBondContact O-N 3.41Å; I19-Y23 HydrophobicContact CG2-CD2 4.28Å; I19-Y23 WeakPolarHBondContact O-CD2 3.35Å; I19-Y23 PolarHBondContact O-N 2.79Å; I19-Y23 VanDerWaalsContact O-N 3.09Å; I19-I32 HydrophobicContact CG2-CD1 3.98Å; I19-V179 HydrophobicContact CD1-CG2 3.98Å; I19-A327 HydrophobicContact CG1-CB 4.11Å; I19-F330 HydrophobicContact CG2-CD1 3.99Å; I19-F330 HydrophobicContact CG2-CE1 3.92Å; I19-F330 HydrophobicContact CG2-CE2 4.49Å; I19-F330 HydrophobicContact CG2-CG 4.25Å; I19-F330 HydrophobicContact CG2-CZ 4.2Å
20H98.4Very high96.6Very high14 Ų1440.6 Ų40.67%0.06521%0.211CC..Hα-helixtrans-60-52.7179.9-170.7-76.6000111.6A16 L17 R22 Y23 H24 I32 R155A16-H20 WeakPolarHBondContact O-CB 3.33Å; A16-H20 PolarHBondContact O-N 3.43Å; L17-H20 PolarHBondContact O-N 3Å; L17-H20 VanDerWaalsContact O-N 3.16Å; H20-R22 VanDerWaalsContact C-N 3.28Å; H20-R22 PolarHBondContact O-N 2.69Å; H20-Y23 PolarHBondContact O-N 3.1Å; H20-H24 AromaticContact CE1-CG 3.42Å; H20-H24 VanDerWaalsContact CE1-CG 3.42Å; H20-H24 AromaticContact CE1-ND1 3.3Å; H20-H24 PolarHBondContact CE1-ND1 2.81Å; H20-H24 VanDerWaalsContact CE1-ND1 3.3Å; H20-H24 AromaticContact NE2-CE1 3.88Å; H20-H24 AromaticContact NE2-CG 3.68Å; H20-H24 AromaticContact NE2-ND1 3.1Å; H20-H24 PolarHBondContact NE2-ND1 3.39Å; H20-H24 WeakPolarHBondContact O-CB 3.17Å; H20-H24 PolarHBondContact O-N 3.3Å; H20-I32 HydrophobicContact CB-CD1 3.82Å; H20-R155 PolarHBondContact NE2-O 3.26Å
21E97.1Very high96.6Very high90 Ų9042.9 Ų42.942%0.42122%0.223SC..Hα-helixtrans-60.5-37.5-177.2-71.5-173.6153.400112.6L17 R155L17-E21 HydrophobicContact CD1-CG 3.99Å; L17-E21 HydrophobicContact CG-CG 4.34Å; L17-E21 WeakPolarHBondContact O-CG 3.14Å; L17-E21 PolarHBondContact O-N 2.94Å; E21-R155 IonicContact OE1-CZ 2.62Å; E21-R155 IonicContact OE1-NE 3.59Å; E21-R155 IonicContact OE1-NH2 3.96Å; E21-R155 PolarHBondContact OE1-NH2 3.39Å
22R97.5Very high96.6Very high150 Ų15042.4 Ų42.457%0.56622%0.22SC*.Hα-helixtrans-78.5-32.7-177.8-168.7171.5-176.989.92.2113.8C18 I19 H20C18-R22 VanDerWaalsContact O-CB 3.32Å; C18-R22 WeakPolarHBondContact O-CB 3.46Å; C18-R22 PolarHBondContact O-N 3.09Å; I19-R22 PolarHBondContact O-N 3.41Å; H20-R22 VanDerWaalsContact C-N 3.28Å; H20-R22 PolarHBondContact O-N 2.69Å
23Y97.9Very high96.5Very high25 Ų2545.1 Ų45.110%0.09823%0.232CC..Hα-helixtrans-118.1-13.8-167.7-61.9-71.1000115.7I19 H20 S25 V26 L27 A327 F330 G331 L334I19-Y23 HydrophobicContact CG2-CD2 4.28Å; I19-Y23 WeakPolarHBondContact O-CD2 3.35Å; I19-Y23 PolarHBondContact O-N 2.79Å; I19-Y23 VanDerWaalsContact O-N 3.09Å; H20-Y23 PolarHBondContact O-N 3.1Å; Y23-S25 VanDerWaalsContact C-N 3.27Å; Y23-S25 PolarHBondContact O-N 3.25Å; Y23-V26 HydrophobicContact CD1-CG2 4.11Å; Y23-V26 PolarHBondContact O-N 2.71Å; Y23-L27 WeakPolarHBondContact O-CB 3.19Å; Y23-L27 PolarHBondContact O-N 2.75Å; Y23-A327 HydrophobicContact CE2-CB 4.22Å; Y23-A327 WeakPolarHBondContact CE2-O 3.33Å; Y23-A327 VanDerWaalsContact CZ-O 3.29Å; Y23-A327 PolarHBondContact OH-O 3.02Å; Y23-F330 AromaticContact CD2-CD1 3.42Å; Y23-F330 HydrophobicContact CD2-CD1 3.42Å; Y23-F330 VanDerWaalsContact CD2-CD1 3.42Å; Y23-F330 AromaticContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CE2-CB 4.44Å; Y23-F330 AromaticContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CE1 4.35Å; Y23-F330 HydrophobicContact CE2-CG 4.46Å; Y23-F330 AromaticContact CG-CD1 3.94Å; Y23-F330 HydrophobicContact CG-CD1 3.94Å; Y23-F330 AromaticContact CG-CE1 3.91Å; Y23-F330 HydrophobicContact CG-CE1 3.91Å; Y23-G331 WeakPolarHBondContact OH-CA 3.43Å; Y23-G331 PolarHBondContact OH-N 3.3Å; Y23-L334 HydrophobicContact CD1-CD1 3.63Å; Y23-L334 HydrophobicContact CE1-CD1 4.03Å; Y23-L334 HydrophobicContact CG-CD1 4.11Å
24H95.7Very high96.5Very high81 Ų8145.1 Ų45.138%0.37523%0.232SC..THydrogen-bonded Turntrans-57.3-38.7-179.5179.492.3000112.9H20 V26 Q28 L30H20-H24 AromaticContact CE1-CG 3.42Å; H20-H24 VanDerWaalsContact CE1-CG 3.42Å; H20-H24 AromaticContact CE1-ND1 3.3Å; H20-H24 PolarHBondContact CE1-ND1 2.81Å; H20-H24 VanDerWaalsContact CE1-ND1 3.3Å; H20-H24 AromaticContact NE2-CE1 3.88Å; H20-H24 AromaticContact NE2-CG 3.68Å; H20-H24 AromaticContact NE2-ND1 3.1Å; H20-H24 PolarHBondContact NE2-ND1 3.39Å; H20-H24 WeakPolarHBondContact O-CB 3.17Å; H20-H24 PolarHBondContact O-N 3.3Å; H24-V26 PolarHBondContact O-N 2.76Å; H24-Q28 PolarHBondContact O-NE2 3.29Å; H24-L30 HydrophobicContact CB-CD2 4.31Å
25S94.6Very high96.5Very high98 Ų9845.9 Ų45.969%0.68524%0.235SC*.THydrogen-bonded Turntrans-73.4-22.8-17956.80000114.4Y23Y23-S25 VanDerWaalsContact C-N 3.27Å; Y23-S25 PolarHBondContact O-N 3.25Å
26V94.2Very high96.5Very high98 Ų9846.1 Ų46.159%0.59424%0.237SC*.THydrogen-bonded Turntrans-113.5-7.4-172.9-63.10000113.9Y23 H24Y23-V26 HydrophobicContact CD1-CG2 4.11Å; Y23-V26 PolarHBondContact O-N 2.71Å; H24-V26 PolarHBondContact O-N 2.76Å
27L89.4Confident96.5Very high28 Ų2849 Ų4915%0.14725%0.252CS..SBendtrans-134.1107.6-178.4-175.269.9000110.5M1 Y23 L30 F330 L334M1-L27 HydrophobicContact CB-CD2 3.65Å; M1-L27 HydrophobicContact CG-CD2 4.45Å; Y23-L27 WeakPolarHBondContact O-CB 3.19Å; Y23-L27 PolarHBondContact O-N 2.75Å; L27-L30 HydrophobicContact CD2-CB 4.49Å; L27-L30 HydrophobicContact CD2-CD1 4.18Å; L27-L30 WeakPolarHBondContact O-CB 3.25Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-F330 HydrophobicContact CD2-CE1 4.31Å; L27-F330 HydrophobicContact CD2-CZ 4.27Å; L27-L334 HydrophobicContact CD1-CD2 4.27Å; L27-L334 HydrophobicContact CD2-CD1 3.82Å; L27-L334 HydrophobicContact CD2-CD2 3.5Å; L27-L334 HydrophobicContact CD2-CG 4.32Å
28Q87.8Confident96.5Very high126 Ų12654.9 Ų54.959%0.58927%0.274SS*.SBendtrans-126128.7176.4-70.5-66.1-25.400110.2H24H24-Q28 PolarHBondContact O-NE2 3.29Å
29P91.9Very high96.5Very high98 Ų9856.6 Ų56.664%0.63628%0.281SS*.SBendcis-78.3139.4-4.531.9-33.6000112.4M1M1-P29 PolarHBondContact N-O 3.46Å
30L96.9Very high96.5Very high19 Ų1958.2 Ų58.210%0.09929%0.291CS..  trans-110.4106.8163.8173.960.7000108.2M1 V3 H24 L27 I32 F330M1-L30 HydrophobicContact CB-CD1 4.42Å; V3-L30 HydrophobicContact CG2-CD1 3.93Å; H24-L30 HydrophobicContact CB-CD2 4.31Å; L27-L30 HydrophobicContact CD2-CB 4.49Å; L27-L30 HydrophobicContact CD2-CD1 4.18Å; L27-L30 WeakPolarHBondContact O-CB 3.25Å; L27-L30 PolarHBondContact O-N 2.99Å; L30-I32 HydrophobicContact CD1-CD1 4.2Å; L30-I32 HydrophobicContact CD1-CG1 3.9Å; L30-I32 HydrophobicContact CD2-CD1 4.14Å; L30-I32 HydrophobicContact CG-CD1 4.13Å; L30-I32 HydrophobicContact CG-CG1 3.96Å; L30-F330 HydrophobicContact CD1-CZ 4.1Å
31D97.5Very high96.4Very high52 Ų5261.3 Ų61.328%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-106.1112.4178.5178.123.9000108.4M1 R2 V3 K33M1-D31 PolarHBondContact O-N 3.04Å; R2-D31 CarbonylContact C-O 3.57Å; R2-D31 WeakPolarHBondContact CA-O 3.32Å; R2-D31 HydrophobicContact CG-CB 4.34Å; V3-D31 PolarHBondContact N-O 3.08Å; D31-K33 VanDerWaalsContact OD2-CE 3.32Å; D31-K33 WeakPolarHBondContact OD2-CE 3.08Å; D31-K33 IonicContact OD2-NZ 3.35Å
32I98.6Very high96.4Very high5 Ų562.7 Ų62.73%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-112.1129.9178.8-52.4-177.2000109V3 V5 I19 H20 L30 V157 K158V3-I32 HydrophobicContact CB-CG1 4.21Å; V3-I32 WeakPolarHBondContact O-CA 3.35Å; V5-I32 HydrophobicContact CG2-CG2 4.23Å; I19-I32 HydrophobicContact CG2-CD1 3.98Å; H20-I32 HydrophobicContact CB-CD1 3.82Å; L30-I32 HydrophobicContact CD1-CD1 4.2Å; L30-I32 HydrophobicContact CD1-CG1 3.9Å; L30-I32 HydrophobicContact CD2-CD1 4.14Å; L30-I32 HydrophobicContact CG-CD1 4.13Å; L30-I32 HydrophobicContact CG-CG1 3.96Å; I32-V157 HydrophobicContact CB-CG1 4.26Å; I32-V157 HydrophobicContact CB-CG2 4.12Å; I32-V157 HydrophobicContact CG2-CG1 4.02Å; I32-V157 HydrophobicContact CG2-CG2 4.46Å; I32-V157 WeakPolarHBondContact O-CG1 3.38Å; I32-K158 PolarHBondContact O-N 3.15Å
33K98.7Very high96.5Very high57 Ų5756.3 Ų56.325%0.24830%0.3CS..EExtended strand (participates in β ladder)trans-125.1143.9174-60178.3-174.7167.60110V3 V4 V5 D31 Y35 K158 F160V3-K33 PolarHBondContact O-N 2.89Å; V4-K33 WeakPolarHBondContact CA-O 3.42Å; V5-K33 PolarHBondContact N-O 3.11Å; D31-K33 VanDerWaalsContact OD2-CE 3.32Å; D31-K33 WeakPolarHBondContact OD2-CE 3.08Å; D31-K33 IonicContact OD2-NZ 3.35Å; K33-Y35 HydrophobicContact CB-CD1 4.46Å; K33-Y35 HydrophobicContact CB-CE1 4.03Å; K33-Y35 HydrophobicContact CD-CE1 4.37Å; K33-K158 CarbonylContact C-O 3.56Å; K33-K158 VanDerWaalsContact CA-O 3.32Å; K33-K158 WeakPolarHBondContact CA-O 3.43Å; K33-F160 HydrophobicContact CB-CD2 4.25Å; K33-F160 HydrophobicContact CB-CE2 3.93Å; K33-F160 HydrophobicContact CD-CE2 3.75Å; K33-F160 HydrophobicContact CD-CZ 4.18Å; K33-F160 HydrophobicContact CG-CE2 3.82Å
34V98.9Very high96.5Very high0 Ų057 Ų570%031%0.307CS..EExtended strand (participates in β ladder)trans-109.7118.9173.61800000109V5 A8 L13 A16 F39 V157 K158 F159 F160V5-V34 HydrophobicContact CB-CG2 4.38Å; V5-V34 CarbonylContact O-C 3.56Å; V5-V34 WeakPolarHBondContact O-CA 3.29Å; A8-V34 HydrophobicContact CB-CG1 4.18Å; L13-V34 HydrophobicContact CD2-CG1 4.19Å; A16-V34 HydrophobicContact CB-CG2 4.29Å; V34-F39 HydrophobicContact CG1-CE1 4.48Å; V34-V157 HydrophobicContact CG2-CG1 3.99Å; V34-K158 PolarHBondContact N-O 3.04Å; V34-F159 HydrophobicContact CB-CD1 3.6Å; V34-F159 HydrophobicContact CB-CE1 3.8Å; V34-F159 HydrophobicContact CB-CG 4.43Å; V34-F159 HydrophobicContact CG1-CD1 3.91Å; V34-F159 HydrophobicContact CG1-CE1 4.04Å; V34-F159 HydrophobicContact CG2-CD1 4.09Å; V34-F159 HydrophobicContact CG2-CE1 3.78Å; V34-F159 HydrophobicContact CG2-CZ 4.37Å; V34-F160 PolarHBondContact O-N 3.18Å
35Y98.8Very high96.7Very high16 Ų1654 Ų546%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-105125.8173.9-69.5-1000108.8V4 V5 I6 G7 K33 F160 R162 V164 E173V4-Y35 HydrophobicContact CG1-CD1 4.3Å; V4-Y35 HydrophobicContact CG1-CD2 3.47Å; V4-Y35 VanDerWaalsContact CG1-CD2 3.47Å; V4-Y35 HydrophobicContact CG1-CE2 3.8Å; V4-Y35 HydrophobicContact CG1-CG 3.76Å; V4-Y35 HydrophobicContact CG2-CE2 4.45Å; V5-Y35 PolarHBondContact O-N 3.46Å; I6-Y35 CarbonylContact C-O 3.59Å; I6-Y35 VanDerWaalsContact CA-O 3.32Å; I6-Y35 WeakPolarHBondContact CA-O 3.45Å; G7-Y35 PolarHBondContact N-O 2.96Å; K33-Y35 HydrophobicContact CB-CD1 4.46Å; K33-Y35 HydrophobicContact CB-CE1 4.03Å; K33-Y35 HydrophobicContact CD-CE1 4.37Å; Y35-F160 HydrophobicContact CD1-CB 3.67Å; Y35-F160 AromaticContact CD1-CD2 3.72Å; Y35-F160 HydrophobicContact CD1-CD2 3.72Å; Y35-F160 AromaticContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CE1-CB 3.84Å; Y35-F160 HydrophobicContact CE1-CD1 4.5Å; Y35-F160 AromaticContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CE2 4.04Å; Y35-F160 AromaticContact CE1-CG 3.66Å; Y35-F160 HydrophobicContact CE1-CG 3.66Å; Y35-R162 VanDerWaalsContact CE2-NH1 3.31Å; Y35-V164 HydrophobicContact CD2-CG2 4.14Å; Y35-E173 PolarHBondContact OH-OE2 3.12Å
36A98.8Very high96.8Very high5 Ų550.5 Ų50.54%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-153.2150.3172.400000111A8 R38 F39 F160 Q161 R162A8-A36 HydrophobicContact CB-CB 3.6Å; A36-R38 WeakPolarHBondContact CB-O 3.32Å; A36-F39 HydrophobicContact CB-CE1 4.07Å; A36-F39 HydrophobicContact CB-CE2 3.95Å; A36-F39 HydrophobicContact CB-CZ 3.7Å; A36-F39 VanDerWaalsContact O-CE2 3.3Å; A36-F39 WeakPolarHBondContact O-CE2 3.27Å; A36-F160 PolarHBondContact N-O 3.43Å; A36-F160 VanDerWaalsContact N-O 3.17Å; A36-Q161 CarbonylContact O-C 3.3Å; A36-Q161 WeakPolarHBondContact O-CA 3.3Å; A36-R162 CarbonylContact C-O 3.56Å; A36-R162 PolarHBondContact O-N 3.3Å
37D98.5Very high97Very high60 Ų6047.1 Ų47.132%0.32125%0.247SC..SBendtrans-93.3-8.6173.669.5-19.7000112.5Q161 R162 K163D37-Q161 PolarHBondContact O-NE2 2.76Å; D37-R162 PolarHBondContact N-O 3.48Å; D37-K163 HydrophobicContact CB-CB 4.06Å
38R98.4Very high97.4Very high124 Ų12447.4 Ų47.447%0.46825%0.253SS..  trans-136.7132.6172.7-61.4-64-177.8-73.1-7.6109.8A36 L42A36-R38 WeakPolarHBondContact CB-O 3.32Å; R38-L42 HydrophobicContact CB-CB 4.4Å
39F98.6Very high97.9Very high43 Ų4342.5 Ų42.519%0.18924%0.235CC..  trans-121.3168.6170-67.2-88.9000109A8 V34 A36 L42 F159A8-F39 HydrophobicContact CB-CD1 3.32Å; A8-F39 HydrophobicContact CB-CE1 3.34Å; A8-F39 HydrophobicContact CB-CG 4.2Å; A8-F39 HydrophobicContact CB-CZ 4.25Å; V34-F39 HydrophobicContact CG1-CE1 4.48Å; A36-F39 HydrophobicContact CB-CE1 4.07Å; A36-F39 HydrophobicContact CB-CE2 3.95Å; A36-F39 HydrophobicContact CB-CZ 3.7Å; A36-F39 VanDerWaalsContact O-CE2 3.3Å; A36-F39 WeakPolarHBondContact O-CE2 3.27Å; F39-L42 WeakPolarHBondContact O-CA 3.45Å; F39-L42 WeakPolarHBondContact O-CB 3.48Å; F39-L42 PolarHBondContact O-N 2.96Å; F39-F159 HydrophobicContact CE1-CB 4.43Å; F39-F159 AromaticContact CE1-CD1 3.81Å; F39-F159 HydrophobicContact CE1-CD1 3.81Å
40T98.2Very high98.2Very high33 Ų3338 Ų3820%0.20221%0.206CC..THydrogen-bonded Turntrans-46.7130.8170.8-56.60000110.8D46 K142 L145 Q146T40-D46 WeakPolarHBondContact CG2-OD1 3.41Å; T40-K142 HydrophobicContact CG2-CG 3.94Å; T40-L145 WeakPolarHBondContact OG1-CB 3.34Å; T40-L145 WeakPolarHBondContact OG1-CD1 3.31Å; T40-Q146 HydrophobicContact CG2-CG 3.99Å
41P97.1Very high98.3Very high80 Ų8038 Ų3852%0.51921%0.206SC..THydrogen-bonded Turncis-99.431.610.240-37.1000114.6D46P41-D46 VanDerWaalsContact C-CG 3.45Å; P41-D46 VanDerWaalsContact C-OD2 3.26Å; P41-D46 VanDerWaalsContact CA-CG 3.46Å; P41-D46 WeakPolarHBondContact CA-OD1 3.27Å
42L97.8Very high98.3Very high119 Ų11935.7 Ų35.762%0.62319%0.194SC*.SBendtrans-111.513.8-168-55175.3000114.3R38 F39 D46R38-L42 HydrophobicContact CB-CB 4.4Å; F39-L42 WeakPolarHBondContact O-CA 3.45Å; F39-L42 WeakPolarHBondContact O-CB 3.48Å; F39-L42 PolarHBondContact O-N 2.96Å; L42-D46 PolarHBondContact N-OD2 3.48Å
43T98.4Very high98.3Very high15 Ų1535.7 Ų35.79%0.09219%0.193CC..SBendtrans-96.9161.417877.40000111.3T45 D46 L145T43-T45 PolarHBondContact O-N 3.11Å; T43-T45 WeakPolarHBondContact OG1-CB 3.48Å; T43-T45 PolarHBondContact OG1-N 3.39Å; T43-D46 WeakPolarHBondContact CA-OD2 3.37Å; T43-D46 VanDerWaalsContact CB-OD2 3.32Å; T43-D46 WeakPolarHBondContact CB-OD2 3.33Å; T43-D46 PolarHBondContact N-OD2 3.18Å; T43-D46 WeakPolarHBondContact O-CB 3.24Å; T43-D46 PolarHBondContact O-N 3.2Å; T43-D46 VanDerWaalsContact O-N 3.09Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.31Å; T43-L145 HydrophobicContact CG2-CD1 4.27Å; T43-L145 WeakPolarHBondContact OG1-CD1 3.45Å
44T98.4Very high98.2Very high40 Ų4033.7 Ų33.725%0.24519%0.187CC..Hα-helixtrans-56.4-31.9169.6-55.70000112D46 V47 A48 F282T44-D46 VanDerWaalsContact C-N 3.29Å; T44-D46 PolarHBondContact O-N 3.32Å; T44-V47 PolarHBondContact O-N 2.87Å; T44-V47 VanDerWaalsContact O-N 3.17Å; T44-A48 PolarHBondContact O-N 3.16Å; T44-F282 WeakPolarHBondContact CG2-O 3.44Å; T44-F282 PolarHBondContact OG1-O 3.5Å
45T98.6Very high98.1Very high18 Ų1835.8 Ų35.811%0.1120%0.195CC..Hα-helixtrans-62.9-36.3178.4-59.40000111.7V10 T43 V47 A48 L145 L316V10-T45 HydrophobicContact CB-CG2 3.77Å; V10-T45 HydrophobicContact CG1-CG2 4.2Å; V10-T45 PolarHBondContact N-OG1 3.16Å; V10-T45 VanDerWaalsContact N-OG1 3.09Å; T43-T45 PolarHBondContact O-N 3.11Å; T43-T45 WeakPolarHBondContact OG1-CB 3.48Å; T43-T45 PolarHBondContact OG1-N 3.39Å; T45-V47 PolarHBondContact O-N 2.66Å; T45-A48 WeakPolarHBondContact O-CB 3.34Å; T45-A48 PolarHBondContact O-N 2.74Å; T45-A48 VanDerWaalsContact O-N 3.16Å; T45-L145 HydrophobicContact CG2-CD1 3.79Å; T45-L145 HydrophobicContact CG2-CD2 4.01Å; T45-L145 HydrophobicContact CG2-CG 3.79Å; T45-L316 HydrophobicContact CG2-CD2 4.08Å
46D98.1Very high97.8Very high24 Ų2437.2 Ų37.213%0.12820%0.203CC..Hα-helixtrans-65.5-23.6177.9-61-75.3000113.1T40 P41 L42 T43 T44 K142T40-D46 WeakPolarHBondContact CG2-OD1 3.41Å; P41-D46 VanDerWaalsContact C-CG 3.45Å; P41-D46 VanDerWaalsContact C-OD2 3.26Å; P41-D46 VanDerWaalsContact CA-CG 3.46Å; P41-D46 WeakPolarHBondContact CA-OD1 3.27Å; L42-D46 PolarHBondContact N-OD2 3.48Å; T43-D46 WeakPolarHBondContact CA-OD2 3.37Å; T43-D46 VanDerWaalsContact CB-OD2 3.32Å; T43-D46 WeakPolarHBondContact CB-OD2 3.33Å; T43-D46 PolarHBondContact N-OD2 3.18Å; T43-D46 WeakPolarHBondContact O-CB 3.24Å; T43-D46 PolarHBondContact O-N 3.2Å; T43-D46 VanDerWaalsContact O-N 3.09Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.31Å; T44-D46 VanDerWaalsContact C-N 3.29Å; T44-D46 PolarHBondContact O-N 3.32Å; D46-K142 WeakPolarHBondContact OD1-CA 3.42Å
47V97.6Very high97.4Very high28 Ų2841 Ų4117%0.1723%0.229CC..Hα-helixtrans-90.7-13.8179.3-173.80000111.8T44 T45 I202 R279T44-V47 PolarHBondContact O-N 2.87Å; T44-V47 VanDerWaalsContact O-N 3.17Å; T45-V47 PolarHBondContact O-N 2.66Å; V47-I202 HydrophobicContact CG1-CD1 3.91Å; V47-I202 HydrophobicContact CG1-CG1 3.91Å; V47-I202 WeakPolarHBondContact O-CD1 3.35Å; V47-R279 HydrophobicContact CG1-CB 3.85Å; V47-R279 HydrophobicContact CG2-CB 4.3Å
48A97.8Very high96.9Very high33 Ų3343.2 Ų43.227%0.27324%0.241SC..SBendtrans-60.5146-176.200000112.1T44 T45 G50 L316T44-A48 PolarHBondContact O-N 3.16Å; T45-A48 WeakPolarHBondContact O-CB 3.34Å; T45-A48 PolarHBondContact O-N 2.74Å; T45-A48 VanDerWaalsContact O-N 3.16Å; A48-G50 VanDerWaalsContact C-N 3.25Å; A48-G50 PolarHBondContact O-N 3Å; A48-L316 HydrophobicContact CB-CD1 3.56Å; A48-L316 HydrophobicContact CB-CG 4.38Å
49A97.9Very high96.5Very high24 Ų2439.4 Ų39.420%0.19823%0.233CC..  trans-68.9-24.3-177.300000113.4Y228 I230 T237A49-Y228 HydrophobicContact CB-CE2 4.22Å; A49-I230 HydrophobicContact CB-CB 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.53Å; A49-I230 WeakPolarHBondContact O-CG2 2.94Å; A49-T237 HydrophobicContact CB-CG2 3.95Å
50G98.1Very high96.2Very high4 Ų443.3 Ų43.34%0.04126%0.255CS..  trans100.4-12.6170.900000115.6A48 I138 L139A48-G50 VanDerWaalsContact C-N 3.25Å; A48-G50 PolarHBondContact O-N 3Å; G50-I138 CarbonylContact O-C 3.58Å; G50-I138 WeakPolarHBondContact O-CA 3.43Å; G50-L139 VanDerWaalsContact CA-O 3.32Å; G50-L139 WeakPolarHBondContact CA-O 3.39Å; G50-L139 PolarHBondContact O-N 3.45Å
51L98.8Very high96Very high18 Ų1843 Ų439%0.09425%0.252CS..BIsolated β-bridgetrans-71.8131.9-179.3-176.665.5000112.1Q53 I92 I138 F213 L215 I230L51-Q53 HydrophobicContact CD2-CB 4.11Å; L51-Q53 HydrophobicContact CG-CB 4.18Å; L51-Q53 PolarHBondContact O-N 2.94Å; L51-I92 HydrophobicContact CD1-CG2 3.9Å; L51-I138 HydrophobicContact CB-CD1 4.24Å; L51-I138 HydrophobicContact CD1-CD1 4.11Å; L51-F213 HydrophobicContact CD1-CD1 3.84Å; L51-F213 HydrophobicContact CD1-CE1 4.24Å; L51-F213 HydrophobicContact CD1-CG 4.21Å; L51-F213 HydrophobicContact CD2-CB 4.48Å; L51-F213 HydrophobicContact CD2-CD1 4.49Å; L51-F213 HydrophobicContact CD2-CD2 4.15Å; L51-F213 HydrophobicContact CD2-CG 4.12Å; L51-L215 HydrophobicContact CD2-CD1 3.53Å; L51-L215 HydrophobicContact CD2-CD2 4.08Å; L51-L215 HydrophobicContact CD2-CG 4.49Å; L51-I230 HydrophobicContact CB-CD1 3.92Å; L51-I230 HydrophobicContact CB-CG1 4.44Å; L51-I230 HydrophobicContact CB-CG2 4.05Å; L51-I230 HydrophobicContact CD2-CD1 4.28Å
52W98.7Very high95.9Very high3 Ų343.8 Ų43.81%0.01126%0.257CS..  trans-75107.2161.9-169.4101.4000108.7P54 S68 F72 T110 V111 S136 L137 T317W52-P54 HydrophobicContact CH2-CG 3.74Å; W52-P54 HydrophobicContact CZ2-CG 4.2Å; W52-P54 HydrophobicContact CZ3-CG 4.17Å; W52-S68 VanDerWaalsContact CZ2-O 3.31Å; W52-S68 WeakPolarHBondContact CZ2-O 3.33Å; W52-F72 HydrophobicContact CD2-CB 4.4Å; W52-F72 AromaticContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CD2 3.46Å; W52-F72 VanDerWaalsContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CE2 4.21Å; W52-F72 HydrophobicContact CD2-CG 4.4Å; W52-F72 AromaticContact CE2-CD2 3.71Å; W52-F72 AromaticContact CE3-CD2 3.5Å; W52-F72 HydrophobicContact CE3-CD2 3.5Å; W52-F72 VanDerWaalsContact CE3-CD2 3.5Å; W52-F72 AromaticContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CG-CD2 4.01Å; W52-F72 HydrophobicContact CH2-CB 4.21Å; W52-F72 HydrophobicContact CH2-CD2 4.14Å; W52-F72 HydrophobicContact CH2-CG 4.46Å; W52-F72 HydrophobicContact CZ2-CB 3.67Å; W52-F72 HydrophobicContact CZ2-CD2 4.07Å; W52-F72 HydrophobicContact CZ2-CG 4.28Å; W52-F72 AromaticContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CE2 4.36Å; W52-T110 HydrophobicContact CH2-CG2 3.33Å; W52-T110 HydrophobicContact CZ2-CG2 3.91Å; W52-T110 HydrophobicContact CZ3-CG2 3.97Å; W52-V111 HydrophobicContact CE3-CG1 4.07Å; W52-V111 HydrophobicContact CZ3-CG1 3.64Å; W52-S136 PolarHBondContact O-OG 2.92Å; W52-L137 HydrophobicContact CB-CB 4.18Å; W52-L137 WeakPolarHBondContact CB-O 3.38Å; W52-L137 PolarHBondContact N-O 2.78Å; W52-T317 HydrophobicContact CD2-CG2 3.79Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.43Å; W52-T317 HydrophobicContact CG-CG2 4.06Å; W52-T317 HydrophobicContact CH2-CG2 4.42Å; W52-T317 HydrophobicContact CZ2-CG2 3.8Å; W52-T317 PolarHBondContact NE1-O 2.72Å
53Q98.5Very high95.8Very high5 Ų542.3 Ų42.32%0.02325%0.247CC..  trans-159.4126.6170-165.7-175.684.800108.7L51 N96 W107 T317L51-Q53 HydrophobicContact CD2-CB 4.11Å; L51-Q53 HydrophobicContact CG-CB 4.18Å; L51-Q53 PolarHBondContact O-N 2.94Å; Q53-N96 PolarHBondContact NE2-ND2 2.96Å; Q53-N96 VanDerWaalsContact NE2-ND2 3.17Å; Q53-N96 PolarHBondContact NE2-OD1 3.31Å; Q53-N96 PolarHBondContact OE1-OD1 3.45Å; Q53-W107 HydrophobicContact CG-CH2 3.9Å; Q53-W107 HydrophobicContact CG-CZ2 3.75Å; Q53-W107 HydrophobicContact CG-CZ3 4.47Å; Q53-T317 VanDerWaalsContact C-CG2 3.48Å; Q53-T317 PolarHBondContact N-OG1 3.07Å; Q53-T317 PolarHBondContact O-OG1 3.06Å; Q53-T317 VanDerWaalsContact O-OG1 3.11Å
54P97.5Very high95.8Very high16 Ų1641.8 Ų41.810%0.10424%0.244CC..  trans-69.8174.6168.4-18.631.9000111.3W52 W107 T317W52-P54 HydrophobicContact CH2-CG 3.74Å; W52-P54 HydrophobicContact CZ2-CG 4.2Å; W52-P54 HydrophobicContact CZ3-CG 4.17Å; P54-W107 HydrophobicContact CB-CG 4.22Å; P54-W107 HydrophobicContact CG-CB 3.93Å; P54-W107 HydrophobicContact CG-CG 3.8Å; P54-T317 HydrophobicContact CB-CG2 4.41Å; P54-T317 HydrophobicContact CG-CG2 3.77Å
55Y96.1Very high95.7Very high44 Ų4441.9 Ų41.917%0.17325%0.249CC..  trans-65.3162.4170.5-66.2-11.3000111.5W107 I223 Y224 G313 Y314Y55-W107 PolarHBondContact O-NE1 3.46Å; Y55-I223 HydrophobicContact CD1-CD1 3.15Å; Y55-I223 HydrophobicContact CD1-CG1 4.37Å; Y55-I223 HydrophobicContact CD2-CD1 4.11Å; Y55-I223 HydrophobicContact CE1-CD1 3.68Å; Y55-I223 HydrophobicContact CG-CD1 3.37Å; Y55-Y224 HydrophobicContact CD1-CE2 4.23Å; Y55-Y224 AromaticContact CE1-CE2 3.72Å; Y55-Y224 HydrophobicContact CE1-CE2 3.72Å; Y55-G313 PolarHBondContact OH-N 3.39Å; Y55-Y314 AromaticContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD2-CD1 4.11Å; Y55-Y314 HydrophobicContact CD2-CE1 4.01Å; Y55-Y314 AromaticContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CE1 4.26Å; Y55-Y314 HydrophobicContact CE1-CG 4.45Å; Y55-Y314 AromaticContact CE2-CD1 3.72Å; Y55-Y314 HydrophobicContact CE2-CD1 3.72Å; Y55-Y314 AromaticContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CG-CD1 4.24Å; Y55-Y314 AromaticContact CZ-CD1 3.44Å; Y55-Y314 VanDerWaalsContact CZ-CD1 3.44Å; Y55-Y314 AromaticContact CZ-CE1 3.73Å
56L93.1Very high95.7Very high45 Ų4545.7 Ų45.724%0.23627%0.269CS..SBendtrans-70.9-38.6178.8-60.6-177.9000112.6F98 W107 W132 H217L56-F98 HydrophobicContact CD1-CE1 3.62Å; L56-F98 HydrophobicContact CD1-CZ 4.13Å; L56-F98 HydrophobicContact CD2-CZ 4.21Å; L56-W107 HydrophobicContact CD2-CZ2 4.19Å; L56-W132 HydrophobicContact CD2-CH2 4.06Å; L56-W132 HydrophobicContact CD2-CZ3 3.61Å; L56-H217 HydrophobicContact CD1-CB 4.15Å
57S89Confident95.7Very high84 Ų8445 Ų4559%0.58726%0.264SS*.SBendtrans-81143.9175.5570000110.6
58D88.8Confident95.7Very high108 Ų10844 Ų4458%0.57826%0.258SS*.PPolyproline II helixtrans-58.7143.5173.2-69.2-21.8000111.6S106D58-S106 WeakPolarHBondContact OD1-CB 3.36Å; D58-S106 PolarHBondContact OD1-OG 3.34Å
59P90.4Very high95.7Very high44 Ų4445.2 Ų45.229%0.28626%0.259SS..PPolyproline II helixtrans-69.2149.1178.229.6-34.8000111N61 E64P59-N61 WeakPolarHBondContact CG-O 3.32Å; P59-N61 PolarHBondContact O-N 2.82Å; P59-E64 HydrophobicContact CB-CB 3.77Å; P59-E64 HydrophobicContact CB-CG 4.34Å; P59-E64 HydrophobicContact CG-CB 3.84Å
60N92Very high95.8Very high124 Ų12447.5 Ų47.566%0.66327%0.265SS*.SBendtrans-60.8-33.2174.7-70.9-41.8000112.3P287N60-P287 PolarHBondContact ND2-O 2.81Å
61N93.9Very high95.8Very high26 Ų2647.3 Ų47.314%0.13926%0.263CS..SBendtrans-99.9112.7170.4179.76.2000109.7P59 Q63 E64 Q288P59-N61 WeakPolarHBondContact CG-O 3.32Å; P59-N61 PolarHBondContact O-N 2.82Å; N61-Q63 PolarHBondContact ND2-OE1 3.39Å; N61-Q63 PolarHBondContact O-N 2.79Å; N61-Q63 VanDerWaalsContact O-N 3.11Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.27Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.36Å; N61-Q63 PolarHBondContact OD1-N 3.27Å; N61-Q63 VanDerWaalsContact OD1-N 3.1Å; N61-E64 HydrophobicContact CB-CG 4.16Å; N61-E64 WeakPolarHBondContact O-CB 3.33Å; N61-E64 WeakPolarHBondContact O-CG 3.46Å; N61-E64 PolarHBondContact O-N 3.1Å; N61-Q288 HydrophobicContact CB-CB 4.25Å
62P94.4Very high95.8Very high97 Ų9746.6 Ų46.663%0.6326%0.259SS*.THydrogen-bonded Turntrans-61.6-22.4-178.524.5-34.2000113.7E64 A65P62-E64 PolarHBondContact O-N 2.94Å; P62-E64 VanDerWaalsContact O-N 3.16Å; P62-A65 WeakPolarHBondContact O-CB 3.23Å; P62-A65 PolarHBondContact O-N 3.48Å; P62-A65 VanDerWaalsContact O-N 3.1Å
63Q96.5Very high95.8Very high88 Ų8850.2 Ų50.241%0.41128%0.279SS..Hα-helixtrans-60.9-24175.2-61.7-177.1-60.400112.8N61 A65 D66 W67N61-Q63 PolarHBondContact ND2-OE1 3.39Å; N61-Q63 PolarHBondContact O-N 2.79Å; N61-Q63 VanDerWaalsContact O-N 3.11Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.27Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.36Å; N61-Q63 PolarHBondContact OD1-N 3.27Å; N61-Q63 VanDerWaalsContact OD1-N 3.1Å; Q63-A65 PolarHBondContact O-N 2.94Å; Q63-D66 PolarHBondContact O-N 3.02Å; Q63-W67 HydrophobicContact CB-CH2 4.18Å; Q63-W67 HydrophobicContact CB-CZ2 3.78Å; Q63-W67 VanDerWaalsContact O-CG 3.27Å; Q63-W67 PolarHBondContact O-N 2.9Å
64E97.7Very high95.8Very high4 Ų451.3 Ų51.32%0.01928%0.283CS..Hα-helixtrans-66.2-27.3178.3-63.2-172.3-153.600112.1P59 N61 P62 W67 S68 Q288 I289 Y314 I318P59-E64 HydrophobicContact CB-CB 3.77Å; P59-E64 HydrophobicContact CB-CG 4.34Å; P59-E64 HydrophobicContact CG-CB 3.84Å; N61-E64 HydrophobicContact CB-CG 4.16Å; N61-E64 WeakPolarHBondContact O-CB 3.33Å; N61-E64 WeakPolarHBondContact O-CG 3.46Å; N61-E64 PolarHBondContact O-N 3.1Å; P62-E64 PolarHBondContact O-N 2.94Å; P62-E64 VanDerWaalsContact O-N 3.16Å; E64-W67 HydrophobicContact CB-CE3 4.34Å; E64-W67 HydrophobicContact CG-CE3 3.87Å; E64-W67 HydrophobicContact CG-CZ3 3.75Å; E64-S68 WeakPolarHBondContact O-CB 3.42Å; E64-S68 PolarHBondContact O-N 2.71Å; E64-S68 PolarHBondContact O-OG 3.32Å; E64-Q288 WeakPolarHBondContact OE1-CA 3.43Å; E64-I289 HydrophobicContact CG-CD1 4.04Å; E64-I289 PolarHBondContact OE1-N 3.22Å; E64-Y314 WeakPolarHBondContact OE2-CE2 3.3Å; E64-Y314 PolarHBondContact OE2-OH 3.12Å; E64-I318 HydrophobicContact CB-CD1 3.77Å; E64-I318 HydrophobicContact CG-CD1 4.25Å; E64-I318 VanDerWaalsContact O-CD1 3.3Å; E64-I318 WeakPolarHBondContact O-CD1 3.39Å
65A96.8Very high95.8Very high43 Ų4350.6 Ų50.636%0.35528%0.278SS..Hα-helixtrans-67.6-45.9172.200000110.9P62 Q63 W67 S68 Q69P62-A65 WeakPolarHBondContact O-CB 3.23Å; P62-A65 PolarHBondContact O-N 3.48Å; P62-A65 VanDerWaalsContact O-N 3.1Å; Q63-A65 PolarHBondContact O-N 2.94Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 3.29Å; A65-S68 WeakPolarHBondContact O-CB 3.44Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-Q69 PolarHBondContact O-N 3.06Å
66D97.5Very high95.9Very high98 Ų9850.9 Ų50.952%0.52428%0.283SS..Hα-helixtrans-61.5-41.9176.3-65.9-26.1000111.6Q63 S68 Q69 Q70Q63-D66 PolarHBondContact O-N 3.02Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.3Å; D66-Q69 PolarHBondContact O-N 3.43Å; D66-Q70 WeakPolarHBondContact O-CB 3.31Å; D66-Q70 VanDerWaalsContact O-CG 3.24Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 2.94Å; D66-Q70 PolarHBondContact O-NE2 2.93Å
67W98.6Very high96.1Very high9 Ų953 Ų533%0.03430%0.301CS..Hα-helixtrans-66.1-35.3177.5-62.1-24.4000112.5Q63 E64 A65 T71 I289 L291 I318 G321 E325Q63-W67 HydrophobicContact CB-CH2 4.18Å; Q63-W67 HydrophobicContact CB-CZ2 3.78Å; Q63-W67 VanDerWaalsContact O-CG 3.27Å; Q63-W67 PolarHBondContact O-N 2.9Å; E64-W67 HydrophobicContact CB-CE3 4.34Å; E64-W67 HydrophobicContact CG-CE3 3.87Å; E64-W67 HydrophobicContact CG-CZ3 3.75Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 3.29Å; W67-T71 WeakPolarHBondContact O-CB 3.47Å; W67-T71 PolarHBondContact O-N 2.9Å; W67-T71 PolarHBondContact O-OG1 3.44Å; W67-I289 HydrophobicContact CE3-CD1 4.31Å; W67-I289 HydrophobicContact CZ3-CB 4.25Å; W67-I289 HydrophobicContact CZ3-CD1 4.27Å; W67-I289 HydrophobicContact CZ3-CG2 4.28Å; W67-L291 HydrophobicContact CH2-CB 4Å; W67-L291 HydrophobicContact CH2-CD2 3.71Å; W67-L291 HydrophobicContact CH2-CG 4.39Å; W67-L291 HydrophobicContact CZ2-CD2 3.72Å; W67-L291 HydrophobicContact CZ3-CB 4.45Å; W67-L291 HydrophobicContact CZ3-CD2 4.11Å; W67-I318 HydrophobicContact CB-CD1 4.01Å; W67-I318 HydrophobicContact CB-CG1 3.55Å; W67-I318 HydrophobicContact CE3-CD1 4.14Å; W67-G321 WeakPolarHBondContact O-CA 3.4Å; W67-E325 HydrophobicContact CZ2-CB 4.37Å; W67-E325 HydrophobicContact CZ2-CG 4.04Å
68S98.4Very high96.4Very high7 Ų751.3 Ų51.35%0.04928%0.284CS..Hα-helixtrans-66.4-48.9174.8-60.70000110W52 E64 A65 D66 Q70 T71 F72W52-S68 VanDerWaalsContact CZ2-O 3.31Å; W52-S68 WeakPolarHBondContact CZ2-O 3.33Å; E64-S68 WeakPolarHBondContact O-CB 3.42Å; E64-S68 PolarHBondContact O-N 2.71Å; E64-S68 PolarHBondContact O-OG 3.32Å; A65-S68 WeakPolarHBondContact O-CB 3.44Å; A65-S68 PolarHBondContact O-N 3.48Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.3Å; S68-Q70 PolarHBondContact O-N 3.15Å; S68-T71 WeakPolarHBondContact O-CA 3.24Å; S68-T71 WeakPolarHBondContact O-CB 3.5Å; S68-T71 PolarHBondContact O-N 3.45Å; S68-F72 PolarHBondContact O-N 2.78Å
69Q98.3Very high96.7Very high59 Ų5947 Ų4728%0.27626%0.261SS..Hα-helixtrans-55-49.8175.6-179.663.859.900111.7A65 D66 T71 F72 D73 T110A65-Q69 PolarHBondContact O-N 3.06Å; D66-Q69 PolarHBondContact O-N 3.43Å; Q69-T71 PolarHBondContact O-N 2.94Å; Q69-F72 WeakPolarHBondContact O-CB 3.39Å; Q69-F72 PolarHBondContact O-N 3.36Å; Q69-D73 VanDerWaalsContact NE2-CG 3.27Å; Q69-D73 PolarHBondContact NE2-OD1 3.39Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 VanDerWaalsContact NE2-OD2 3.1Å; Q69-D73 PolarHBondContact O-N 2.85Å; Q69-T110 VanDerWaalsContact OE1-CB 3.24Å; Q69-T110 VanDerWaalsContact OE1-CG2 3.22Å; Q69-T110 PolarHBondContact OE1-OG1 3.29Å
70Q98.6Very high96.8Very high72 Ų7252.6 Ų52.634%0.33628%0.283SS..Hα-helixtrans-58.1-34.5176.8-73167.247.100112.7D66 S68 Y74 L324D66-Q70 WeakPolarHBondContact O-CB 3.31Å; D66-Q70 VanDerWaalsContact O-CG 3.24Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 2.94Å; D66-Q70 PolarHBondContact O-NE2 2.93Å; S68-Q70 PolarHBondContact O-N 3.15Å; Q70-Y74 VanDerWaalsContact O-CB 3.26Å; Q70-Y74 WeakPolarHBondContact O-CB 3.33Å; Q70-Y74 PolarHBondContact O-N 3.43Å; Q70-L324 HydrophobicContact CB-CD1 4.37Å
71T98.9Very high96.8Very high0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-72.6-40.9176.2-55.50000111.5W67 S68 Q69 Y74 L75 T317 I318 W320 G321W67-T71 WeakPolarHBondContact O-CB 3.47Å; W67-T71 PolarHBondContact O-N 2.9Å; W67-T71 PolarHBondContact O-OG1 3.44Å; S68-T71 WeakPolarHBondContact O-CA 3.24Å; S68-T71 WeakPolarHBondContact O-CB 3.5Å; S68-T71 PolarHBondContact O-N 3.45Å; Q69-T71 PolarHBondContact O-N 2.94Å; T71-Y74 PolarHBondContact O-N 3.34Å; T71-L75 HydrophobicContact CG2-CD1 4Å; T71-L75 HydrophobicContact CG2-CG 4.38Å; T71-L75 WeakPolarHBondContact O-CB 3.3Å; T71-L75 VanDerWaalsContact O-CG 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.36Å; T71-L75 PolarHBondContact O-N 3.2Å; T71-T317 WeakPolarHBondContact CB-O 3.32Å; T71-T317 WeakPolarHBondContact CG2-O 3.32Å; T71-I318 PolarHBondContact OG1-O 2.93Å; T71-W320 HydrophobicContact CG2-CB 4.06Å; T71-W320 PolarHBondContact OG1-N 3.43Å; T71-G321 PolarHBondContact OG1-N 2.78Å
72F98.8Very high96.7Very high2 Ų253.6 Ų53.61%0.00930%0.299CS..Hα-helixtrans-60.5-49.4174.5-167.1-96.1000111.3W52 S68 Q69 Y74 L75 L76 T110 L112 L137W52-F72 HydrophobicContact CD2-CB 4.4Å; W52-F72 AromaticContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CD2 3.46Å; W52-F72 VanDerWaalsContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CE2 4.21Å; W52-F72 HydrophobicContact CD2-CG 4.4Å; W52-F72 AromaticContact CE2-CD2 3.71Å; W52-F72 AromaticContact CE3-CD2 3.5Å; W52-F72 HydrophobicContact CE3-CD2 3.5Å; W52-F72 VanDerWaalsContact CE3-CD2 3.5Å; W52-F72 AromaticContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CG-CD2 4.01Å; W52-F72 HydrophobicContact CH2-CB 4.21Å; W52-F72 HydrophobicContact CH2-CD2 4.14Å; W52-F72 HydrophobicContact CH2-CG 4.46Å; W52-F72 HydrophobicContact CZ2-CB 3.67Å; W52-F72 HydrophobicContact CZ2-CD2 4.07Å; W52-F72 HydrophobicContact CZ2-CG 4.28Å; W52-F72 AromaticContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CE2 4.36Å; S68-F72 PolarHBondContact O-N 2.78Å; Q69-F72 WeakPolarHBondContact O-CB 3.39Å; Q69-F72 PolarHBondContact O-N 3.36Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.88Å; F72-L75 PolarHBondContact O-N 2.91Å; F72-L76 HydrophobicContact CE1-CD2 4.04Å; F72-L76 VanDerWaalsContact O-CB 3.24Å; F72-L76 WeakPolarHBondContact O-CB 3.35Å; F72-L76 PolarHBondContact O-N 3.37Å; F72-T110 HydrophobicContact CB-CG2 3.56Å; F72-T110 HydrophobicContact CD1-CG2 3.94Å; F72-T110 VanDerWaalsContact CD1-O 3.27Å; F72-T110 WeakPolarHBondContact CD1-O 3.12Å; F72-T110 HydrophobicContact CD2-CG2 4.23Å; F72-T110 WeakPolarHBondContact CE1-O 3.28Å; F72-T110 HydrophobicContact CG-CG2 3.64Å; F72-L112 HydrophobicContact CE1-CD2 4.3Å; F72-L112 HydrophobicContact CE1-CG 4.35Å; F72-L112 HydrophobicContact CZ-CG 4.12Å; F72-L137 HydrophobicContact CD2-CD1 3.83Å; F72-L137 HydrophobicContact CE2-CD1 3.73Å; F72-L137 HydrophobicContact CE2-CG 4.05Å; F72-L137 HydrophobicContact CG-CD1 4.4Å; F72-L137 HydrophobicContact CZ-CD1 4.18Å; F72-L137 HydrophobicContact CZ-CG 4.47Å
73D98.5Very high96.5Very high79 Ų7952 Ų5242%0.42229%0.285SS..Hα-helixtrans-61.3-42.5-179.6-65.6-27.6000111.7Q69 L76 S77Q69-D73 VanDerWaalsContact NE2-CG 3.27Å; Q69-D73 PolarHBondContact NE2-OD1 3.39Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 VanDerWaalsContact NE2-OD2 3.1Å; Q69-D73 PolarHBondContact O-N 2.85Å; D73-L76 PolarHBondContact O-N 2.93Å; D73-S77 PolarHBondContact O-N 3.31Å
74Y98.2Very high96.4Very high28 Ų2848.2 Ų48.211%0.1127%0.269CS..Hα-helixtrans-61.1-48.3174.9169.7-101.2000112Q70 T71 F72 S77 H78 W320Q70-Y74 VanDerWaalsContact O-CB 3.26Å; Q70-Y74 WeakPolarHBondContact O-CB 3.33Å; Q70-Y74 PolarHBondContact O-N 3.43Å; T71-Y74 PolarHBondContact O-N 3.34Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.88Å; Y74-S77 PolarHBondContact O-N 2.97Å; Y74-S77 PolarHBondContact O-OG 2.89Å; Y74-H78 AromaticContact CD2-CE1 3.64Å; Y74-H78 AromaticContact CD2-ND1 3.97Å; Y74-H78 AromaticContact CE2-CE1 3.23Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.3Å; Y74-H78 AromaticContact CE2-ND1 3.83Å; Y74-H78 AromaticContact CZ-CE1 3.71Å; Y74-H78 PolarHBondContact O-ND1 2.97Å; Y74-W320 HydrophobicContact CD1-CB 3.98Å; Y74-W320 AromaticContact CD1-CD1 3.9Å; Y74-W320 AromaticContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CE3 4.39Å; Y74-W320 AromaticContact CD1-CG 3.62Å; Y74-W320 HydrophobicContact CD1-CG 3.62Å; Y74-W320 AromaticContact CD2-CD1 3.66Å; Y74-W320 AromaticContact CD2-CD2 3.92Å; Y74-W320 HydrophobicContact CD2-CD2 3.92Å; Y74-W320 AromaticContact CD2-CE2 3.43Å; Y74-W320 VanDerWaalsContact CD2-CE2 3.43Å; Y74-W320 HydrophobicContact CD2-CG 4.05Å; Y74-W320 AromaticContact CD2-CZ2 3.92Å; Y74-W320 HydrophobicContact CD2-CZ2 3.92Å; Y74-W320 AromaticContact CD2-NE1 3.24Å; Y74-W320 AromaticContact CE1-CD2 3.85Å; Y74-W320 HydrophobicContact CE1-CD2 3.85Å; Y74-W320 AromaticContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CG 4.13Å; Y74-W320 HydrophobicContact CE1-CZ3 4.49Å; Y74-W320 AromaticContact CE2-CD2 3.91Å; Y74-W320 HydrophobicContact CE2-CD2 3.91Å; Y74-W320 AromaticContact CE2-CE2 3.44Å; Y74-W320 VanDerWaalsContact CE2-CE2 3.44Å; Y74-W320 HydrophobicContact CE2-CE3 4.34Å; Y74-W320 HydrophobicContact CE2-CG 4.48Å; Y74-W320 AromaticContact CE2-CH2 3.99Å; Y74-W320 HydrophobicContact CE2-CH2 3.99Å; Y74-W320 AromaticContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ2 3.5Å; Y74-W320 VanDerWaalsContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ3 4.39Å; Y74-W320 AromaticContact CE2-NE1 3.79Å; Y74-W320 HydrophobicContact CG-CB 4.29Å; Y74-W320 AromaticContact CG-CD1 3.35Å; Y74-W320 AromaticContact CG-CD2 3.87Å; Y74-W320 HydrophobicContact CG-CD2 3.87Å; Y74-W320 AromaticContact CG-CE2 3.84Å; Y74-W320 AromaticContact CG-CG 3.58Å; Y74-W320 HydrophobicContact CG-CG 3.58Å; Y74-W320 AromaticContact CG-NE1 3.49Å; Y74-W320 AromaticContact CZ-CD2 3.88Å; Y74-W320 AromaticContact CZ-CE2 3.9Å; Y74-W320 AromaticContact CZ-CE3 3.94Å; Y74-W320 AromaticContact CZ-CZ2 3.99Å
75L98.4Very high96.1Very high1 Ų155.6 Ų55.61%0.00530%0.303CS..Hα-helixtrans-68.1-41-179.9-67.3175000111.1T71 F72 S77 H78 V79 L89 L137 L139T71-L75 HydrophobicContact CG2-CD1 4Å; T71-L75 HydrophobicContact CG2-CG 4.38Å; T71-L75 WeakPolarHBondContact O-CB 3.3Å; T71-L75 VanDerWaalsContact O-CG 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.36Å; T71-L75 PolarHBondContact O-N 3.2Å; F72-L75 PolarHBondContact O-N 2.91Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.36Å; L75-H78 PolarHBondContact O-N 3.31Å; L75-V79 PolarHBondContact O-N 3.41Å; L75-V79 VanDerWaalsContact O-N 3.13Å; L75-L89 HydrophobicContact CB-CD1 4.1Å; L75-L89 HydrophobicContact CB-CD2 4.41Å; L75-L89 HydrophobicContact CD2-CD1 4.32Å; L75-L89 HydrophobicContact CD2-CD2 4.24Å; L75-L89 WeakPolarHBondContact O-CD2 3.46Å; L75-L137 HydrophobicContact CB-CD1 3.65Å; L75-L139 HydrophobicContact CD1-CD2 3.93Å; L75-L139 HydrophobicContact CD2-CD1 4.08Å; L75-L139 HydrophobicContact CD2-CD2 3.92Å
76L97.7Very high95.9Very high51 Ų5158.3 Ų58.327%0.26731%0.312SS..Hα-helixtrans-59.9-37.1176.6-170.566.3000111.5F72 D73 H78 V79 L91 L112 L137F72-L76 HydrophobicContact CE1-CD2 4.04Å; F72-L76 VanDerWaalsContact O-CB 3.24Å; F72-L76 WeakPolarHBondContact O-CB 3.35Å; F72-L76 PolarHBondContact O-N 3.37Å; D73-L76 PolarHBondContact O-N 2.93Å; L76-H78 PolarHBondContact O-N 3.49Å; L76-V79 HydrophobicContact CD1-CG1 4.22Å; L76-V79 WeakPolarHBondContact O-CG1 3.42Å; L76-V79 PolarHBondContact O-N 2.87Å; L76-L91 HydrophobicContact CD1-CD2 4.24Å; L76-L112 HydrophobicContact CD1-CD1 4.12Å; L76-L112 HydrophobicContact CD2-CD2 4.44Å; L76-L137 HydrophobicContact CB-CD1 4.4Å
77S96.7Very high95.7Very high88 Ų8853.8 Ų53.862%0.61529%0.288SS*.Hα-helixtrans-66.1-17.5175.683.10000113.7D73 Y74 L75D73-S77 PolarHBondContact O-N 3.31Å; Y74-S77 PolarHBondContact O-N 2.97Å; Y74-S77 PolarHBondContact O-OG 2.89Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.36Å
78H95.8Very high95.5Very high49 Ų4953.3 Ų53.323%0.22729%0.286CS..Hα-helixtrans-101.8-13.9-179.8-70.381.8000113.7Y74 L75 L76 H80 S81 L89Y74-H78 AromaticContact CD2-CE1 3.64Å; Y74-H78 AromaticContact CD2-ND1 3.97Å; Y74-H78 AromaticContact CE2-CE1 3.23Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.3Å; Y74-H78 AromaticContact CE2-ND1 3.83Å; Y74-H78 AromaticContact CZ-CE1 3.71Å; Y74-H78 PolarHBondContact O-ND1 2.97Å; L75-H78 PolarHBondContact O-N 3.31Å; L76-H78 PolarHBondContact O-N 3.49Å; H78-H80 PolarHBondContact O-N 2.97Å; H78-H80 VanDerWaalsContact O-N 3.15Å; H78-S81 WeakPolarHBondContact O-CB 3.29Å; H78-S81 PolarHBondContact O-N 3.42Å; H78-L89 HydrophobicContact CB-CD2 3.79Å
79V94.9Very high95.5Very high17 Ų1753.1 Ų53.110%0.10328%0.284CS..THydrogen-bonded Turntrans-65-24.1-170.7810000113.9L75 L76 A84 L89 L91 L137L75-V79 PolarHBondContact O-N 3.41Å; L75-V79 VanDerWaalsContact O-N 3.13Å; L76-V79 HydrophobicContact CD1-CG1 4.22Å; L76-V79 WeakPolarHBondContact O-CG1 3.42Å; L76-V79 PolarHBondContact O-N 2.87Å; V79-A84 WeakPolarHBondContact O-CB 3.41Å; V79-L89 HydrophobicContact CG2-CG 4.36Å; V79-L91 HydrophobicContact CG2-CG 4.08Å; V79-L137 HydrophobicContact CB-CD2 4.23Å; V79-L137 HydrophobicContact CG2-CD2 3.86Å
80H91.8Very high95.5Very high162 Ų16253.1 Ų53.175%0.7528%0.283SS*.THydrogen-bonded Turntrans-98.23.5176.3-60.8-54.7000113.5H78H78-H80 PolarHBondContact O-N 2.97Å; H78-H80 VanDerWaalsContact O-N 3.15Å
81S93Very high95.5Very high41 Ų4153 Ų5329%0.28729%0.285SS..SBendtrans-68.3145.1174.9-178.60000110.4H78 N83 A84H78-S81 WeakPolarHBondContact O-CB 3.29Å; H78-S81 PolarHBondContact O-N 3.42Å; S81-N83 PolarHBondContact O-N 3.38Å; S81-N83 PolarHBondContact OG-N 2.88Å; S81-A84 VanDerWaalsContact O-CB 3.3Å; S81-A84 WeakPolarHBondContact O-CB 3.46Å; S81-A84 PolarHBondContact O-N 2.93Å
82P92.2Very high95.5Very high130 Ų13053.4 Ų53.484%0.84429%0.287SS*.THydrogen-bonded Turntrans-55.2-19.3169.7-25.134.3000113.8
83N90.4Very high95.5Very high64 Ų6454.7 Ų54.734%0.34230%0.296SS..THydrogen-bonded Turntrans-88.9-6.9178.1-66.8-52.6000114S81 E85 N86 L87S81-N83 PolarHBondContact O-N 3.38Å; S81-N83 PolarHBondContact OG-N 2.88Å; N83-E85 VanDerWaalsContact C-N 3.26Å; N83-E85 PolarHBondContact O-N 3.31Å; N83-E85 VanDerWaalsContact O-N 3.16Å; N83-N86 WeakPolarHBondContact O-CA 3.27Å; N83-N86 WeakPolarHBondContact O-CB 3.42Å; N83-N86 PolarHBondContact O-N 3.39Å; N83-L87 HydrophobicContact CB-CD1 3.77Å; N83-L87 WeakPolarHBondContact O-CD1 3.27Å; N83-L87 PolarHBondContact O-N 3.2Å; N83-L87 VanDerWaalsContact O-N 3.13Å
84A94Very high95.5Very high9 Ų951 Ų517%0.07428%0.276CS..Hα-helixtrans-54.1-40.2-170.800000113.2V79 S81 N86 L87 G88 L89V79-A84 WeakPolarHBondContact O-CB 3.41Å; S81-A84 VanDerWaalsContact O-CB 3.3Å; S81-A84 WeakPolarHBondContact O-CB 3.46Å; S81-A84 PolarHBondContact O-N 2.93Å; A84-N86 PolarHBondContact O-N 3.45Å; A84-L87 WeakPolarHBondContact O-CB 3.22Å; A84-L87 PolarHBondContact O-N 3.34Å; A84-G88 PolarHBondContact O-N 2.91Å; A84-L89 PolarHBondContact O-N 3.29Å
85E91Very high95.5Very high158 Ų15850.8 Ų50.874%0.73828%0.276SS*.Hα-helixtrans-61.3-42.2175.4-173.5176.4-178.200112.5N83 L87 G88N83-E85 VanDerWaalsContact C-N 3.26Å; N83-E85 PolarHBondContact O-N 3.31Å; N83-E85 VanDerWaalsContact O-N 3.16Å; E85-L87 VanDerWaalsContact C-N 3.27Å; E85-L87 PolarHBondContact O-N 2.95Å; E85-G88 WeakPolarHBondContact O-CA 3.27Å; E85-G88 PolarHBondContact O-N 2.98Å
86N91.7Very high95.5Very high101 Ų10150.8 Ų50.854%0.5428%0.275SS..Hα-helixtrans-66.3-30.2177.3-64.7-23.4000112.2N83 A84 G88N83-N86 WeakPolarHBondContact O-CA 3.27Å; N83-N86 WeakPolarHBondContact O-CB 3.42Å; N83-N86 PolarHBondContact O-N 3.39Å; A84-N86 PolarHBondContact O-N 3.45Å; N86-G88 PolarHBondContact O-N 3.37Å
87L93.3Very high95.6Very high2 Ų248.3 Ų48.31%0.0126%0.263CS..Hα-helixtrans-71.8-14.8171.8-7782.7000112.3N83 A84 E85 L89 Y144 W147N83-L87 HydrophobicContact CB-CD1 3.77Å; N83-L87 WeakPolarHBondContact O-CD1 3.27Å; N83-L87 PolarHBondContact O-N 3.2Å; N83-L87 VanDerWaalsContact O-N 3.13Å; A84-L87 WeakPolarHBondContact O-CB 3.22Å; A84-L87 PolarHBondContact O-N 3.34Å; E85-L87 VanDerWaalsContact C-N 3.27Å; E85-L87 PolarHBondContact O-N 2.95Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 HydrophobicContact CB-CB 3.87Å; L87-L89 HydrophobicContact CD2-CD2 4.36Å; L87-Y144 HydrophobicContact CB-CD2 4.47Å; L87-Y144 HydrophobicContact CD2-CD2 4.34Å; L87-Y144 HydrophobicContact CD2-CE2 4.17Å; L87-Y144 HydrophobicContact CG-CD2 4.44Å; L87-Y144 PolarHBondContact O-N 3.19Å; L87-W147 HydrophobicContact CD1-CD2 4.1Å; L87-W147 HydrophobicContact CD1-CG 4.1Å; L87-W147 HydrophobicContact CD1-CZ2 4.26Å; L87-W147 HydrophobicContact CD2-CD2 4.27Å; L87-W147 HydrophobicContact CD2-CE3 4.38Å; L87-W147 HydrophobicContact CD2-CH2 4.5Å; L87-W147 HydrophobicContact CD2-CZ2 4.38Å; L87-W147 HydrophobicContact CD2-CZ3 4.5Å; L87-W147 HydrophobicContact CG-CD2 3.8Å; L87-W147 HydrophobicContact CG-CE3 4.32Å; L87-W147 HydrophobicContact CG-CG 3.88Å; L87-W147 HydrophobicContact CG-CZ2 4.49Å
88G95.6Very high95.6Very high0 Ų044.3 Ų44.30%023%0.234CC..THydrogen-bonded Turntrans68.331.9-166.300000112.3A84 E85 N86 L139 E140A84-G88 PolarHBondContact O-N 2.91Å; E85-G88 WeakPolarHBondContact O-CA 3.27Å; E85-G88 PolarHBondContact O-N 2.98Å; N86-G88 PolarHBondContact O-N 3.37Å; G88-L139 CarbonylContact O-C 3.44Å; G88-L139 WeakPolarHBondContact O-CA 3.5Å; G88-E140 PolarHBondContact O-N 3.4Å
89L98.3Very high95.7Very high3 Ų347 Ų472%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-111.9122.7-171.6176.361.9000111.7L75 H78 V79 A84 L87 L137 I138 L139L75-L89 HydrophobicContact CB-CD1 4.1Å; L75-L89 HydrophobicContact CB-CD2 4.41Å; L75-L89 HydrophobicContact CD2-CD1 4.32Å; L75-L89 HydrophobicContact CD2-CD2 4.24Å; L75-L89 WeakPolarHBondContact O-CD2 3.46Å; H78-L89 HydrophobicContact CB-CD2 3.79Å; V79-L89 HydrophobicContact CG2-CG 4.36Å; A84-L89 PolarHBondContact O-N 3.29Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 HydrophobicContact CB-CB 3.87Å; L87-L89 HydrophobicContact CD2-CD2 4.36Å; L89-L137 HydrophobicContact CD1-CB 4.19Å; L89-L137 HydrophobicContact CD1-CD2 4.06Å; L89-I138 VanDerWaalsContact CA-O 3.26Å; L89-I138 WeakPolarHBondContact CA-O 3.4Å; L89-I138 VanDerWaalsContact CD1-O 3.3Å; L89-I138 WeakPolarHBondContact CD1-O 3.4Å; L89-L139 HydrophobicContact CB-CD1 4.26Å; L89-L139 HydrophobicContact CD1-CD1 4.4Å
90F97.8Very high95.7Very high58 Ų5852.9 Ų52.925%0.25427%0.273SS..EExtended strand (participates in β ladder)trans-158.2161.2176.559-84000112.1I92 L137 I138 T233F90-I92 HydrophobicContact CE2-CB 4.41Å; F90-L137 CarbonylContact O-C 3.5Å; F90-L137 WeakPolarHBondContact O-CA 3.48Å; F90-I138 HydrophobicContact CD1-CB 3.97Å; F90-I138 HydrophobicContact CD1-CG2 4.16Å; F90-I138 HydrophobicContact CD2-CB 4.24Å; F90-I138 HydrophobicContact CD2-CG1 4.3Å; F90-I138 HydrophobicContact CE1-CB 3.49Å; F90-I138 VanDerWaalsContact CE1-CB 3.49Å; F90-I138 HydrophobicContact CE1-CG1 4.08Å; F90-I138 HydrophobicContact CE1-CG2 3.36Å; F90-I138 HydrophobicContact CE2-CB 3.81Å; F90-I138 HydrophobicContact CE2-CG1 3.57Å; F90-I138 HydrophobicContact CE2-CG2 4.42Å; F90-I138 HydrophobicContact CG-CB 4.32Å; F90-I138 HydrophobicContact CZ-CB 3.43Å; F90-I138 VanDerWaalsContact CZ-CB 3.43Å; F90-I138 HydrophobicContact CZ-CG1 3.45Å; F90-I138 VanDerWaalsContact CZ-CG1 3.45Å; F90-I138 HydrophobicContact CZ-CG2 3.54Å; F90-I138 PolarHBondContact N-O 3.15Å; F90-I138 VanDerWaalsContact N-O 3.17Å; F90-I138 PolarHBondContact O-N 3.34Å; F90-T233 HydrophobicContact CD1-CG2 3.89Å; F90-T233 HydrophobicContact CE1-CG2 3.45Å; F90-T233 VanDerWaalsContact CE1-CG2 3.45Å; F90-T233 HydrophobicContact CZ-CG2 4.35Å
91L98.3Very high95.9Very high70 Ų7048.8 Ų48.837%0.36627%0.267SS..EExtended strand (participates in β ladder)trans-75.4138174.4-69.7168.8000111.2L76 V79 L112 T135 S136 L137L76-L91 HydrophobicContact CD1-CD2 4.24Å; V79-L91 HydrophobicContact CG2-CG 4.08Å; L91-L112 HydrophobicContact CD2-CD1 3.9Å; L91-T135 HydrophobicContact CB-CG2 4.15Å; L91-T135 HydrophobicContact CD2-CG2 4.06Å; L91-S136 WeakPolarHBondContact CA-O 3.39Å; L91-L137 HydrophobicContact CD2-CD2 3.56Å; L91-L137 HydrophobicContact CD2-CG 4.31Å; L91-L137 HydrophobicContact CG-CD2 4.23Å
92I98.6Very high96Very high8 Ų848.6 Ų48.64%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-135.8136.4173.9-167.1165.7000110.6L51 F90 T135 S136 I138 F213 P231L51-I92 HydrophobicContact CD1-CG2 3.9Å; F90-I92 HydrophobicContact CE2-CB 4.41Å; I92-T135 CarbonylContact O-C 3.53Å; I92-T135 WeakPolarHBondContact O-CA 3.36Å; I92-S136 PolarHBondContact N-O 3.38Å; I92-S136 PolarHBondContact O-N 2.81Å; I92-I138 HydrophobicContact CB-CD1 4.48Å; I92-I138 HydrophobicContact CB-CG1 3.92Å; I92-I138 HydrophobicContact CD1-CD1 4.07Å; I92-I138 HydrophobicContact CD1-CG1 3.93Å; I92-I138 HydrophobicContact CG2-CD1 3.75Å; I92-I138 HydrophobicContact CG2-CG1 3.58Å; I92-F213 HydrophobicContact CD1-CB 4.4Å; I92-F213 HydrophobicContact CG1-CD1 4.2Å; I92-F213 HydrophobicContact CG2-CD1 3.86Å; I92-F213 HydrophobicContact CG2-CE1 4.39Å; I92-P231 HydrophobicContact CD1-CB 3.91Å; I92-P231 HydrophobicContact CD1-CG 3.99Å
93S98.8Very high96.2Very high30 Ų3047.9 Ų47.921%0.2126%0.258CS..EExtended strand (participates in β ladder)trans-98.7158.2173.2-580000110.7H134 T135 H212 F213S93-H134 WeakPolarHBondContact CA-O 3.3Å; S93-T135 PolarHBondContact OG-OG1 3.39Å; S93-H212 CarbonylContact O-C 3.56Å; S93-H212 WeakPolarHBondContact O-CA 3.42Å; S93-H212 WeakPolarHBondContact O-CB 3.43Å; S93-H212 PolarHBondContact O-CD2 3.22Å; S93-F213 VanDerWaalsContact C-CE1 3.4Å; S93-F213 WeakPolarHBondContact O-CD1 3.32Å; S93-F213 PolarHBondContact O-N 2.58Å; S93-F213 VanDerWaalsContact O-N 3.08Å
94G98.8Very high96.6Very high0 Ų047.4 Ų47.40%026%0.255CS..EExtended strand (participates in β ladder)trans175-171.3177.500000115.4F133 H134 F213G94-F133 WeakPolarHBondContact O-CA 3.36Å; G94-F133 WeakPolarHBondContact O-CD2 3.47Å; G94-H134 PolarHBondContact N-O 3.05Å; G94-H134 PolarHBondContact O-N 3.39Å; G94-F213 CarbonylContact C-O 3.56Å; G94-F213 VanDerWaalsContact CA-CE1 3.41Å; G94-F213 WeakPolarHBondContact CA-O 3.47Å; G94-F213 WeakPolarHBondContact O-CZ 3.14Å
95Y98.9Very high96.7Very high25 Ų2547.2 Ų47.210%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-120.7133.1-163.4-50.4-89.1000110.5L117 M124 F125 W132 F133 H212 F213 I214 L215Y95-L117 HydrophobicContact CD1-CD1 4.19Å; Y95-L117 HydrophobicContact CD1-CD2 3.73Å; Y95-L117 HydrophobicContact CE1-CD2 4.23Å; Y95-M124 HydrophobicContact CE1-CE 3.77Å; Y95-F125 AromaticContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CZ 4.15Å; Y95-F125 HydrophobicContact CD2-CE2 4.17Å; Y95-F125 AromaticContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CE1-CE2 4.15Å; Y95-F125 HydrophobicContact CE1-CZ 4.5Å; Y95-F125 HydrophobicContact CE2-CZ 4.1Å; Y95-F125 AromaticContact CG-CE2 3.75Å; Y95-F125 HydrophobicContact CG-CE2 3.75Å; Y95-F125 AromaticContact CG-CZ 3.77Å; Y95-F125 HydrophobicContact CG-CZ 3.77Å; Y95-W132 WeakPolarHBondContact CA-O 3.46Å; Y95-F133 HydrophobicContact CD1-CD2 4.01Å; Y95-F133 AromaticContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CE2 4.11Å; Y95-H212 HydrophobicContact CD2-CB 4.11Å; Y95-H212 HydrophobicContact CE2-CB 3.67Å; Y95-H212 AromaticContact CE2-CG 3.77Å; Y95-F213 VanDerWaalsContact N-CE2 3.26Å; Y95-F213 PolarHBondContact N-O 2.96Å; Y95-I214 HydrophobicContact CD2-CG1 4.19Å; Y95-L215 PolarHBondContact O-N 3.46Å
96N98.7Very high96.9Very high0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-106.3128.6159.9-70.6-91000108Q53 F98 G131 W132 H134 L215 H217Q53-N96 PolarHBondContact NE2-ND2 2.96Å; Q53-N96 VanDerWaalsContact NE2-ND2 3.17Å; Q53-N96 PolarHBondContact NE2-OD1 3.31Å; Q53-N96 PolarHBondContact OE1-OD1 3.45Å; N96-F98 HydrophobicContact CB-CE2 3.85Å; N96-F98 HydrophobicContact CB-CZ 4.05Å; N96-G131 CarbonylContact O-C 3.5Å; N96-G131 WeakPolarHBondContact O-CA 3.32Å; N96-W132 HydrophobicContact CB-CB 4.41Å; N96-W132 HydrophobicContact CB-CE3 3.93Å; N96-W132 PolarHBondContact N-O 3.46Å; N96-W132 PolarHBondContact O-N 2.89Å; N96-H134 PolarHBondContact ND2-NE2 2.78Å; N96-L215 CarbonylContact C-O 3.5Å; N96-L215 WeakPolarHBondContact CA-O 3.4Å; N96-H217 PolarHBondContact OD1-NE2 2.98Å
97L98.7Very high97.2Very high0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-121.8136.9-169.8-60.4171.7000111.3L117 F125 Y128 I214 L215 T216 H217 L266L97-L117 HydrophobicContact CD2-CD1 3.57Å; L97-F125 HydrophobicContact CD1-CB 3.84Å; L97-F125 HydrophobicContact CD1-CD1 3.62Å; L97-F125 HydrophobicContact CD1-CD2 3.87Å; L97-F125 HydrophobicContact CD1-CE1 4.09Å; L97-F125 HydrophobicContact CD1-CE2 4.3Å; L97-F125 HydrophobicContact CD1-CG 3.49Å; L97-F125 VanDerWaalsContact CD1-CG 3.49Å; L97-F125 HydrophobicContact CD1-CZ 4.4Å; L97-F125 HydrophobicContact CD2-CB 4.2Å; L97-F125 HydrophobicContact CD2-CD2 3.53Å; L97-F125 HydrophobicContact CD2-CE2 4.04Å; L97-F125 HydrophobicContact CD2-CG 3.93Å; L97-F125 HydrophobicContact CG-CD2 4.34Å; L97-F125 HydrophobicContact CG-CG 4.38Å; L97-Y128 HydrophobicContact CB-CD1 3.64Å; L97-Y128 HydrophobicContact CB-CD2 4.11Å; L97-Y128 HydrophobicContact CB-CE1 4.11Å; L97-Y128 HydrophobicContact CB-CG 3.66Å; L97-Y128 HydrophobicContact CD1-CD2 4Å; L97-Y128 HydrophobicContact CD1-CE2 4.28Å; L97-Y128 HydrophobicContact CD1-CG 4.36Å; L97-Y128 HydrophobicContact CG-CG 4.46Å; L97-I214 HydrophobicContact CD1-CG2 3.61Å; L97-L215 PolarHBondContact N-O 3.48Å; L97-T216 HydrophobicContact CB-CG2 4.17Å; L97-T216 HydrophobicContact CD1-CG2 4Å; L97-H217 PolarHBondContact O-N 2.74Å; L97-L266 HydrophobicContact CD1-CD1 4.05Å
98F97.9Very high97.4Very high3 Ų341.5 Ų41.51%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-136.5148.6-176.1-53.1-85.3000110.1L56 N96 E100 I102 G129 Y130 W132 H217L56-F98 HydrophobicContact CD1-CE1 3.62Å; L56-F98 HydrophobicContact CD1-CZ 4.13Å; L56-F98 HydrophobicContact CD2-CZ 4.21Å; N96-F98 HydrophobicContact CB-CE2 3.85Å; N96-F98 HydrophobicContact CB-CZ 4.05Å; F98-E100 VanDerWaalsContact C-N 3.33Å; F98-E100 WeakPolarHBondContact CB-O 3.26Å; F98-I102 HydrophobicContact CD1-CD1 3.48Å; F98-I102 VanDerWaalsContact CD1-CD1 3.48Å; F98-I102 HydrophobicContact CD1-CG1 4Å; F98-I102 HydrophobicContact CD2-CD1 4.04Å; F98-I102 HydrophobicContact CD2-CG1 4.08Å; F98-I102 HydrophobicContact CE1-CD1 3.19Å; F98-I102 HydrophobicContact CE1-CG1 4.16Å; F98-I102 HydrophobicContact CE2-CD1 3.8Å; F98-I102 HydrophobicContact CE2-CG1 4.24Å; F98-I102 HydrophobicContact CG-CD1 3.92Å; F98-I102 HydrophobicContact CG-CG1 3.98Å; F98-I102 HydrophobicContact CZ-CD1 3.39Å; F98-I102 HydrophobicContact CZ-CG1 4.3Å; F98-G129 PolarHBondContact O-N 3.41Å; F98-Y130 HydrophobicContact CB-CD1 4.43Å; F98-Y130 HydrophobicContact CD2-CD1 4Å; F98-Y130 PolarHBondContact N-O 3.15Å; F98-Y130 PolarHBondContact O-N 3.48Å; F98-Y130 VanDerWaalsContact O-O 3.1Å; F98-W132 AromaticContact CE2-CD2 3.82Å; F98-W132 HydrophobicContact CE2-CD2 3.82Å; F98-W132 AromaticContact CE2-CE2 3.93Å; F98-W132 AromaticContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CG 4.45Å; F98-W132 HydrophobicContact CE2-CH2 4.1Å; F98-W132 HydrophobicContact CE2-CZ2 4.06Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CD2 4.35Å; F98-W132 AromaticContact CZ-CE3 3.96Å; F98-W132 HydrophobicContact CZ-CE3 3.96Å; F98-W132 AromaticContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CZ2 4.17Å; F98-W132 AromaticContact CZ-CZ3 3.67Å; F98-W132 HydrophobicContact CZ-CZ3 3.67Å; F98-H217 HydrophobicContact CD1-CB 3.63Å; F98-H217 HydrophobicContact CE1-CB 3.42Å; F98-H217 VanDerWaalsContact CE1-CB 3.42Å; F98-H217 AromaticContact CE1-CD2 3.29Å; F98-H217 WeakPolarHBondContact CE1-CD2 3.4Å; F98-H217 AromaticContact CE1-CG 3.45Å; F98-H217 VanDerWaalsContact CE1-CG 3.45Å; F98-H217 HydrophobicContact CZ-CB 4.37Å; F98-H217 AromaticContact CZ-CD2 3.34Å; F98-H217 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H217 AromaticContact CZ-CG 3.97Å; F98-H217 AromaticContact CZ-NE2 3.92Å
99H96.8Very high97.6Very high107 Ų10747.9 Ų47.950%0.49526%0.263SS..SBendtrans-70.7-32.5173.8-66.9-61.3000112.1D127 Y128H99-D127 PolarHBondContact CE1-O 3.04Å; H99-D127 PolarHBondContact ND1-O 2.9Å; H99-Y128 AromaticContact CE1-CE1 3.89Å
100E95.4Very high97.6Very high139 Ų13948.6 Ų48.665%0.6527%0.268SS*.SBendtrans-132.5166.6-177.862.7-178.8-175.400112.2F98 I102 Y130F98-E100 VanDerWaalsContact C-N 3.33Å; F98-E100 WeakPolarHBondContact CB-O 3.26Å; E100-I102 PolarHBondContact O-N 3.12Å; E100-Y130 WeakPolarHBondContact O-CB 3.36Å
101A96.2Very high97.6Very high76 Ų7646.2 Ų46.263%0.62826%0.258SS*.  trans-67.9132.2178.100000111Y130A101-Y130 HydrophobicContact CB-CD2 4.02Å; A101-Y130 HydrophobicContact CB-CE2 4.22Å; A101-Y130 HydrophobicContact CB-CG 4.25Å
102I95.5Very high97.6Very high37 Ų3746 Ų4619%0.1926%0.257CS..  trans-128.6158.3177.759.5152.9000111.2F98 E100 Y130 W132F98-I102 HydrophobicContact CD1-CD1 3.48Å; F98-I102 VanDerWaalsContact CD1-CD1 3.48Å; F98-I102 HydrophobicContact CD1-CG1 4Å; F98-I102 HydrophobicContact CD2-CD1 4.04Å; F98-I102 HydrophobicContact CD2-CG1 4.08Å; F98-I102 HydrophobicContact CE1-CD1 3.19Å; F98-I102 HydrophobicContact CE1-CG1 4.16Å; F98-I102 HydrophobicContact CE2-CD1 3.8Å; F98-I102 HydrophobicContact CE2-CG1 4.24Å; F98-I102 HydrophobicContact CG-CD1 3.92Å; F98-I102 HydrophobicContact CG-CG1 3.98Å; F98-I102 HydrophobicContact CZ-CD1 3.39Å; F98-I102 HydrophobicContact CZ-CG1 4.3Å; E100-I102 PolarHBondContact O-N 3.12Å; I102-Y130 HydrophobicContact CG1-CD1 4.24Å; I102-Y130 HydrophobicContact CG1-CE1 4.12Å; I102-W132 HydrophobicContact CD1-CH2 3.39Å; I102-W132 HydrophobicContact CD1-CZ2 3.3Å; I102-W132 HydrophobicContact CD1-CZ3 4.44Å; I102-W132 HydrophobicContact CG1-CH2 4.25Å; I102-W132 HydrophobicContact CG1-CZ2 3.64Å
103P96.2Very high97.6Very high115 Ų11548.4 Ų48.475%0.74728%0.284SS*.PPolyproline II helixtrans-59.8148.7174.7-22.534000112.5W132P103-W132 VanDerWaalsContact O-CZ2 3.23Å; P103-W132 WeakPolarHBondContact O-CZ2 3.5Å
104D97.5Very high97.6Very high54 Ų5448.8 Ų48.829%0.28928%0.282SS..PPolyproline II helixtrans-58.3145.6173.1-70.1-13.2000111.4K108 F114 K116D104-K108 HydrophobicContact CB-CD 3.66Å; D104-K108 IonicContact OD2-NZ 3.4Å; D104-F114 HydrophobicContact CB-CE1 4.5Å; D104-F114 HydrophobicContact CB-CZ 4.48Å; D104-K116 WeakPolarHBondContact OD1-CE 3.45Å; D104-K116 IonicContact OD1-NZ 3.06Å; D104-K116 PolarHBondContact OD1-NZ 2.98Å; D104-K116 IonicContact OD2-NZ 2.73Å; D104-K116 PolarHBondContact OD2-NZ 3.22Å
105P96.7Very high97.6Very high6 Ų653.2 Ų53.24%0.03930%0.298CS..PPolyproline II helixtrans-75.2154.1177.733.2-32.6000110.8W107 K108 F114 W132P105-W107 HydrophobicContact CB-CD2 3.84Å; P105-W107 VanDerWaalsContact CB-CE2 3.43Å; P105-W107 HydrophobicContact CB-CE3 4.48Å; P105-W107 HydrophobicContact CB-CG 4.16Å; P105-W107 HydrophobicContact CB-CH2 4.42Å; P105-W107 HydrophobicContact CB-CZ2 3.77Å; P105-W107 HydrophobicContact CG-CD2 3.86Å; P105-W107 HydrophobicContact CG-CE3 3.99Å; P105-W107 HydrophobicContact CG-CH2 3.87Å; P105-W107 HydrophobicContact CG-CZ2 3.73Å; P105-W107 HydrophobicContact CG-CZ3 3.99Å; P105-W107 PolarHBondContact O-N 2.72Å; P105-K108 HydrophobicContact CG-CB 4.13Å; P105-K108 VanDerWaalsContact O-CB 3.32Å; P105-K108 WeakPolarHBondContact O-CB 3.36Å; P105-K108 PolarHBondContact O-N 2.71Å; P105-K108 VanDerWaalsContact O-N 3.13Å; P105-F114 HydrophobicContact CG-CE2 3.9Å; P105-F114 HydrophobicContact CG-CZ 4.26Å; P105-W132 HydrophobicContact CB-CH2 4.04Å; P105-W132 HydrophobicContact CB-CZ3 4.02Å; P105-W132 VanDerWaalsContact CD-CH2 3.47Å; P105-W132 HydrophobicContact CG-CE3 4.01Å; P105-W132 HydrophobicContact CG-CH2 3.84Å; P105-W132 HydrophobicContact CG-CZ2 4.42Å; P105-W132 HydrophobicContact CG-CZ3 3.59Å
106S96.1Very high97.6Very high64 Ų6456.1 Ų56.145%0.44831%0.312SS..G310 helixtrans-60.9-27.6176.347.20000113.9D58 K108D58-S106 WeakPolarHBondContact OD1-CB 3.36Å; D58-S106 PolarHBondContact OD1-OG 3.34Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.93Å
107W97.6Very high97.6Very high8 Ų857 Ų573%0.0332%0.316CS..G310 helixtrans-86.17.5178.851.2-98.9000114.3Q53 P54 Y55 L56 P105 D109 T110 V111 W132 H134Q53-W107 HydrophobicContact CG-CH2 3.9Å; Q53-W107 HydrophobicContact CG-CZ2 3.75Å; Q53-W107 HydrophobicContact CG-CZ3 4.47Å; P54-W107 HydrophobicContact CB-CG 4.22Å; P54-W107 HydrophobicContact CG-CB 3.93Å; P54-W107 HydrophobicContact CG-CG 3.8Å; Y55-W107 PolarHBondContact O-NE1 3.46Å; L56-W107 HydrophobicContact CD2-CZ2 4.19Å; P105-W107 HydrophobicContact CB-CD2 3.84Å; P105-W107 VanDerWaalsContact CB-CE2 3.43Å; P105-W107 HydrophobicContact CB-CE3 4.48Å; P105-W107 HydrophobicContact CB-CG 4.16Å; P105-W107 HydrophobicContact CB-CH2 4.42Å; P105-W107 HydrophobicContact CB-CZ2 3.77Å; P105-W107 HydrophobicContact CG-CD2 3.86Å; P105-W107 HydrophobicContact CG-CE3 3.99Å; P105-W107 HydrophobicContact CG-CH2 3.87Å; P105-W107 HydrophobicContact CG-CZ2 3.73Å; P105-W107 HydrophobicContact CG-CZ3 3.99Å; P105-W107 PolarHBondContact O-N 2.72Å; W107-D109 PolarHBondContact O-N 2.67Å; W107-D109 VanDerWaalsContact O-N 3.15Å; W107-T110 WeakPolarHBondContact O-CB 3.36Å; W107-T110 PolarHBondContact O-N 3.39Å; W107-V111 HydrophobicContact CE3-CG1 3.85Å; W107-V111 HydrophobicContact CE3-CG2 4.08Å; W107-V111 HydrophobicContact CZ3-CG1 4.12Å; W107-V111 HydrophobicContact CZ3-CG2 4.11Å; W107-V111 PolarHBondContact O-N 2.79Å; W107-W132 HydrophobicContact CH2-CE3 4.19Å; W107-W132 HydrophobicContact CH2-CZ3 4.21Å; W107-W132 HydrophobicContact CZ2-CZ3 4.14Å; W107-H134 AromaticContact CH2-NE2 3.69Å; W107-H134 AromaticContact CZ3-CD2 3.72Å; W107-H134 AromaticContact CZ3-NE2 3.55Å
108K98.2Very high97.6Very high68 Ų6860 Ų6030%0.29634%0.335SS..G310 helixtrans-55.2-34.1-177.574.5-173.2-169.1179.20113.6D104 P105 S106 V111 F114D104-K108 HydrophobicContact CB-CD 3.66Å; D104-K108 IonicContact OD2-NZ 3.4Å; P105-K108 HydrophobicContact CG-CB 4.13Å; P105-K108 VanDerWaalsContact O-CB 3.32Å; P105-K108 WeakPolarHBondContact O-CB 3.36Å; P105-K108 PolarHBondContact O-N 2.71Å; P105-K108 VanDerWaalsContact O-N 3.13Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.93Å; K108-V111 WeakPolarHBondContact O-CG2 3.49Å; K108-F114 HydrophobicContact CB-CB 4.44Å; K108-F114 HydrophobicContact CB-CD1 3.81Å; K108-F114 HydrophobicContact CB-CD2 3.91Å; K108-F114 HydrophobicContact CB-CE1 3.94Å; K108-F114 HydrophobicContact CB-CE2 4.04Å; K108-F114 HydrophobicContact CB-CG 3.79Å; K108-F114 HydrophobicContact CB-CZ 4.06Å; K108-F114 WeakPolarHBondContact O-CB 3.5Å
109D97.9Very high97.6Very high134 Ų13464.6 Ų64.672%0.71737%0.365SS*.G310 helixtrans-92.7-8.6-177.4-60.7-48.7000112.1W107W107-D109 PolarHBondContact O-N 2.67Å; W107-D109 VanDerWaalsContact O-N 3.15Å
110T98.3Very high97.7Very high18 Ų1869.5 Ų69.511%0.1138%0.379CS..THydrogen-bonded Turntrans-76.2-44.5171-54.10000110.9W52 Q69 F72 W107W52-T110 HydrophobicContact CH2-CG2 3.33Å; W52-T110 HydrophobicContact CZ2-CG2 3.91Å; W52-T110 HydrophobicContact CZ3-CG2 3.97Å; Q69-T110 VanDerWaalsContact OE1-CB 3.24Å; Q69-T110 VanDerWaalsContact OE1-CG2 3.22Å; Q69-T110 PolarHBondContact OE1-OG1 3.29Å; F72-T110 HydrophobicContact CB-CG2 3.56Å; F72-T110 HydrophobicContact CD1-CG2 3.94Å; F72-T110 VanDerWaalsContact CD1-O 3.27Å; F72-T110 WeakPolarHBondContact CD1-O 3.12Å; F72-T110 HydrophobicContact CD2-CG2 4.23Å; F72-T110 WeakPolarHBondContact CE1-O 3.28Å; F72-T110 HydrophobicContact CG-CG2 3.64Å; W107-T110 WeakPolarHBondContact O-CB 3.36Å; W107-T110 PolarHBondContact O-N 3.39Å
111V98.6Very high97.8Very high8 Ų863.9 Ų63.95%0.04835%0.353CS..SBendtrans-75.7163.1179-62.60000111.6W52 W107 K108 F114 H134W52-V111 HydrophobicContact CE3-CG1 4.07Å; W52-V111 HydrophobicContact CZ3-CG1 3.64Å; W107-V111 HydrophobicContact CE3-CG1 3.85Å; W107-V111 HydrophobicContact CE3-CG2 4.08Å; W107-V111 HydrophobicContact CZ3-CG1 4.12Å; W107-V111 HydrophobicContact CZ3-CG2 4.11Å; W107-V111 PolarHBondContact O-N 2.79Å; K108-V111 WeakPolarHBondContact O-CG2 3.49Å; V111-F114 HydrophobicContact CG2-CB 4.04Å; V111-F114 HydrophobicContact CG2-CD2 4.26Å; V111-H134 HydrophobicContact CB-CB 4.18Å; V111-H134 HydrophobicContact CG2-CB 3.66Å
112L98.7Very high97.9Very high66 Ų6661.9 Ų61.935%0.34633%0.331SS..EExtended strand (participates in β ladder)trans-90.2129.5-176.6-54.6177.4000110.8F72 L76 L91 F114 T135F72-L112 HydrophobicContact CE1-CD2 4.3Å; F72-L112 HydrophobicContact CE1-CG 4.35Å; F72-L112 HydrophobicContact CZ-CG 4.12Å; L76-L112 HydrophobicContact CD1-CD1 4.12Å; L76-L112 HydrophobicContact CD2-CD2 4.44Å; L91-L112 HydrophobicContact CD2-CD1 3.9Å; L112-F114 PolarHBondContact O-N 2.97Å; L112-T135 PolarHBondContact N-O 2.93Å; L112-T135 PolarHBondContact O-N 2.82Å
113G98.4Very high98.1Very high59 Ų5966 Ų6661%0.60835%0.354SS*.EExtended strand (participates in β ladder)trans66.134.1169.900000114.9R115G113-R115 PolarHBondContact O-N 3.43Å
114F98.8Very high98.1Very high37 Ų3765.1 Ų65.116%0.16234%0.341CS..EExtended strand (participates in β ladder)trans-57.8132.2175.8-178.6-87.1000112D104 P105 K108 V111 L112 W132 F133 H134D104-F114 HydrophobicContact CB-CE1 4.5Å; D104-F114 HydrophobicContact CB-CZ 4.48Å; P105-F114 HydrophobicContact CG-CE2 3.9Å; P105-F114 HydrophobicContact CG-CZ 4.26Å; K108-F114 HydrophobicContact CB-CB 4.44Å; K108-F114 HydrophobicContact CB-CD1 3.81Å; K108-F114 HydrophobicContact CB-CD2 3.91Å; K108-F114 HydrophobicContact CB-CE1 3.94Å; K108-F114 HydrophobicContact CB-CE2 4.04Å; K108-F114 HydrophobicContact CB-CG 3.79Å; K108-F114 HydrophobicContact CB-CZ 4.06Å; K108-F114 WeakPolarHBondContact O-CB 3.5Å; V111-F114 HydrophobicContact CG2-CB 4.04Å; V111-F114 HydrophobicContact CG2-CD2 4.26Å; L112-F114 PolarHBondContact O-N 2.97Å; F114-W132 HydrophobicContact CD2-CB 4.38Å; F114-W132 HydrophobicContact CE2-CB 3.63Å; F114-W132 AromaticContact CE2-CD2 3.71Å; F114-W132 HydrophobicContact CE2-CD2 3.71Å; F114-W132 AromaticContact CE2-CE3 4Å; F114-W132 HydrophobicContact CE2-CE3 4Å; F114-W132 AromaticContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CZ-CB 3.96Å; F114-W132 AromaticContact CZ-CD1 3.57Å; F114-W132 AromaticContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CE3 4.41Å; F114-W132 AromaticContact CZ-CG 3.49Å; F114-W132 HydrophobicContact CZ-CG 3.49Å; F114-W132 VanDerWaalsContact CZ-CG 3.49Å; F114-W132 AromaticContact CZ-NE1 3.86Å; F114-F133 CarbonylContact C-O 3.57Å; F114-F133 WeakPolarHBondContact CA-O 3.36Å; F114-H134 HydrophobicContact CB-CB 4.41Å; F114-H134 HydrophobicContact CD2-CB 4.41Å
115R98.8Very high98.2Very high93 Ų9363.1 Ų63.135%0.35133%0.329SS..EExtended strand (participates in β ladder)trans-158.1167.3173.359.4177.2179.277.72.2111G113 E121 W132 F133G113-R115 PolarHBondContact O-N 3.43Å; R115-E121 IonicContact CZ-OE1 3.31Å; R115-E121 VanDerWaalsContact CZ-OE1 3.31Å; R115-E121 IonicContact CZ-OE2 3.7Å; R115-E121 VanDerWaalsContact NH1-CD 3.3Å; R115-E121 IonicContact NH1-OE1 3.67Å; R115-E121 PolarHBondContact NH1-OE1 3.48Å; R115-E121 IonicContact NH1-OE2 3.55Å; R115-E121 PolarHBondContact NH1-OE2 2.93Å; R115-E121 IonicContact NH2-OE1 2.67Å; R115-E121 PolarHBondContact NH2-OE1 2.89Å; R115-E121 IonicContact NH2-OE2 3.79Å; R115-W132 CarbonylContact O-C 3.54Å; R115-W132 VanDerWaalsContact O-CA 3.29Å; R115-W132 WeakPolarHBondContact O-CA 3.45Å; R115-F133 HydrophobicContact CG-CB 4.09Å; R115-F133 PolarHBondContact N-O 3.2Å; R115-F133 PolarHBondContact O-N 3.49Å
116K98.7Very high98.2Very high87 Ų8768.4 Ų68.438%0.37836%0.364SS..EExtended strand (participates in β ladder)trans-76.8152.8171-7268.7174.5175.90109.4D104 Y130 G131D104-K116 WeakPolarHBondContact OD1-CE 3.45Å; D104-K116 IonicContact OD1-NZ 3.06Å; D104-K116 PolarHBondContact OD1-NZ 2.98Å; D104-K116 IonicContact OD2-NZ 2.73Å; D104-K116 PolarHBondContact OD2-NZ 3.22Å; K116-Y130 HydrophobicContact CG-CE2 4.2Å; K116-Y130 WeakPolarHBondContact CG-OH 3.43Å; K116-G131 WeakPolarHBondContact CA-O 3.24Å
117L98.8Very high98.2Very high18 Ų1869.6 Ų69.69%0.09437%0.365CS..PPolyproline II helixtrans-69.2140.6173.2-62.9-173.1000111Y95 L97 E121 L122 G131 F133Y95-L117 HydrophobicContact CD1-CD1 4.19Å; Y95-L117 HydrophobicContact CD1-CD2 3.73Å; Y95-L117 HydrophobicContact CE1-CD2 4.23Å; L97-L117 HydrophobicContact CD2-CD1 3.57Å; L117-E121 HydrophobicContact CB-CB 4.14Å; L117-E121 HydrophobicContact CD2-CB 4.2Å; L117-L122 HydrophobicContact CB-CD2 4.19Å; L117-L122 HydrophobicContact CB-CG 4.03Å; L117-L122 HydrophobicContact CD1-CD2 3.92Å; L117-L122 HydrophobicContact CD1-CG 4.49Å; L117-G131 PolarHBondContact N-O 3.2Å; L117-F133 HydrophobicContact CD2-CB 3.64Å
118T98.6Very high98.2Very high64 Ų6470.6 Ų70.639%0.39337%0.369SS..PPolyproline II helixtrans-76.6160.5168.863.50000110.3R120 E121 L122T118-R120 PolarHBondContact O-N 3.3Å; T118-E121 WeakPolarHBondContact CB-OE2 3.46Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.36Å; T118-E121 PolarHBondContact N-OE2 3.35Å; T118-E121 WeakPolarHBondContact O-CB 3.25Å; T118-E121 PolarHBondContact O-N 2.84Å; T118-E121 WeakPolarHBondContact OG1-CG 3.19Å; T118-E121 PolarHBondContact OG1-N 2.62Å; T118-E121 PolarHBondContact OG1-OE2 3.1Å; T118-L122 PolarHBondContact O-N 2.81Å; T118-L122 VanDerWaalsContact O-N 3.08Å
119P98.2Very high98.2Very high99 Ų9969.7 Ų69.764%0.64338%0.379SS*.Hα-helixtrans-53.4-41.5175.1-28.736.1000113.2E121 L122 D123P119-E121 PolarHBondContact O-N 2.87Å; P119-L122 PolarHBondContact O-N 2.91Å; P119-L122 VanDerWaalsContact O-N 3.12Å; P119-D123 VanDerWaalsContact O-CG 3.29Å; P119-D123 PolarHBondContact O-N 3.06Å
120R98.4Very high98.2Very high209 Ų20965.5 Ų65.579%0.78935%0.354SS*.Hα-helixtrans-62.8-27.5177.1-71.6179.762.2-162.9-2.4113.9T118T118-R120 PolarHBondContact O-N 3.3Å
121E98.6Very high98.2Very high22 Ų2264.7 Ų64.710%0.10335%0.349CS..Hα-helixtrans-81.2-35.4175.1-70.6167.9116.100111.7R115 L117 T118 P119 D123 M124 F125R115-E121 IonicContact CZ-OE1 3.31Å; R115-E121 VanDerWaalsContact CZ-OE1 3.31Å; R115-E121 IonicContact CZ-OE2 3.7Å; R115-E121 VanDerWaalsContact NH1-CD 3.3Å; R115-E121 IonicContact NH1-OE1 3.67Å; R115-E121 PolarHBondContact NH1-OE1 3.48Å; R115-E121 IonicContact NH1-OE2 3.55Å; R115-E121 PolarHBondContact NH1-OE2 2.93Å; R115-E121 IonicContact NH2-OE1 2.67Å; R115-E121 PolarHBondContact NH2-OE1 2.89Å; R115-E121 IonicContact NH2-OE2 3.79Å; L117-E121 HydrophobicContact CB-CB 4.14Å; L117-E121 HydrophobicContact CD2-CB 4.2Å; T118-E121 WeakPolarHBondContact CB-OE2 3.46Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.36Å; T118-E121 PolarHBondContact N-OE2 3.35Å; T118-E121 WeakPolarHBondContact O-CB 3.25Å; T118-E121 PolarHBondContact O-N 2.84Å; T118-E121 WeakPolarHBondContact OG1-CG 3.19Å; T118-E121 PolarHBondContact OG1-N 2.62Å; T118-E121 PolarHBondContact OG1-OE2 3.1Å; P119-E121 PolarHBondContact O-N 2.87Å; E121-D123 VanDerWaalsContact C-N 3.3Å; E121-M124 HydrophobicContact CB-CE 4.05Å; E121-M124 HydrophobicContact CG-CE 4.18Å; E121-M124 WeakPolarHBondContact O-CB 3.22Å; E121-M124 PolarHBondContact O-N 2.77Å; E121-F125 WeakPolarHBondContact O-CD2 3.41Å
122L98.4Very high98.2Very high34 Ų3464.4 Ų64.418%0.17835%0.347CS..Hα-helixtrans-66.5-31.5173.1-70.4169.6000112.1L117 T118 P119 M124 F125L117-L122 HydrophobicContact CB-CD2 4.19Å; L117-L122 HydrophobicContact CB-CG 4.03Å; L117-L122 HydrophobicContact CD1-CD2 3.92Å; L117-L122 HydrophobicContact CD1-CG 4.49Å; T118-L122 PolarHBondContact O-N 2.81Å; T118-L122 VanDerWaalsContact O-N 3.08Å; P119-L122 PolarHBondContact O-N 2.91Å; P119-L122 VanDerWaalsContact O-N 3.12Å; L122-M124 PolarHBondContact O-N 3.24Å; L122-F125 CarbonylContact O-C 3.56Å; L122-F125 WeakPolarHBondContact O-CA 3.39Å; L122-F125 PolarHBondContact O-N 3.21Å
123D97.9Very high98.2Very high124 Ų12462.7 Ų62.766%0.66334%0.337SS*.THydrogen-bonded Turntrans-57.5-22.1173.1-67.8-26.9000112.8P119 E121 F125P119-D123 VanDerWaalsContact O-CG 3.29Å; P119-D123 PolarHBondContact O-N 3.06Å; E121-D123 VanDerWaalsContact C-N 3.3Å; D123-F125 VanDerWaalsContact C-N 3.28Å
124M97.8Very high98.2Very high95 Ų9559.9 Ų59.947%0.46831%0.308SS..THydrogen-bonded Turntrans-75.2-17.1174.2-55.2-170.4-67.800113Y95 E121 L122Y95-M124 HydrophobicContact CE1-CE 3.77Å; E121-M124 HydrophobicContact CB-CE 4.05Å; E121-M124 HydrophobicContact CG-CE 4.18Å; E121-M124 WeakPolarHBondContact O-CB 3.22Å; E121-M124 PolarHBondContact O-N 2.77Å; L122-M124 PolarHBondContact O-N 3.24Å
125F98.1Very high98.2Very high12 Ų1259.5 Ų59.55%0.05331%0.308CS..SBendtrans-132.472.7-174-49.1-69.5000111.2Y95 L97 E121 L122 D123 D127 Y128 I214 L266Y95-F125 AromaticContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CZ 4.15Å; Y95-F125 HydrophobicContact CD2-CE2 4.17Å; Y95-F125 AromaticContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CE1-CE2 4.15Å; Y95-F125 HydrophobicContact CE1-CZ 4.5Å; Y95-F125 HydrophobicContact CE2-CZ 4.1Å; Y95-F125 AromaticContact CG-CE2 3.75Å; Y95-F125 HydrophobicContact CG-CE2 3.75Å; Y95-F125 AromaticContact CG-CZ 3.77Å; Y95-F125 HydrophobicContact CG-CZ 3.77Å; L97-F125 HydrophobicContact CD1-CB 3.84Å; L97-F125 HydrophobicContact CD1-CD1 3.62Å; L97-F125 HydrophobicContact CD1-CD2 3.87Å; L97-F125 HydrophobicContact CD1-CE1 4.09Å; L97-F125 HydrophobicContact CD1-CE2 4.3Å; L97-F125 HydrophobicContact CD1-CG 3.49Å; L97-F125 VanDerWaalsContact CD1-CG 3.49Å; L97-F125 HydrophobicContact CD1-CZ 4.4Å; L97-F125 HydrophobicContact CD2-CB 4.2Å; L97-F125 HydrophobicContact CD2-CD2 3.53Å; L97-F125 HydrophobicContact CD2-CE2 4.04Å; L97-F125 HydrophobicContact CD2-CG 3.93Å; L97-F125 HydrophobicContact CG-CD2 4.34Å; L97-F125 HydrophobicContact CG-CG 4.38Å; E121-F125 WeakPolarHBondContact O-CD2 3.41Å; L122-F125 CarbonylContact O-C 3.56Å; L122-F125 WeakPolarHBondContact O-CA 3.39Å; L122-F125 PolarHBondContact O-N 3.21Å; D123-F125 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 3.17Å; F125-Y128 HydrophobicContact CB-CD2 3.95Å; F125-Y128 PolarHBondContact O-N 3.07Å; F125-I214 HydrophobicContact CE1-CD1 4.03Å; F125-I214 HydrophobicContact CE1-CG1 4.39Å; F125-I214 HydrophobicContact CE1-CG2 3.99Å; F125-I214 HydrophobicContact CZ-CG2 4.44Å; F125-L266 HydrophobicContact CD1-CD1 4.17Å
126P96.3Very high98.2Very high118 Ų11855 Ų5577%0.76629%0.292SS*.THydrogen-bonded Turntrans-58.5-21.5-166.4-26.935.6000116.5Y128P126-Y128 VanDerWaalsContact C-N 3.29Å; P126-Y128 PolarHBondContact O-N 3.03Å
127D96.6Very high98.2Very high89 Ų8950.9 Ų50.948%0.47627%0.274SS..THydrogen-bonded Turntrans-80.6-6.3-180-66.9-19.9000113.2H99 F125H99-D127 PolarHBondContact CE1-O 3.04Å; H99-D127 PolarHBondContact ND1-O 2.9Å; F125-D127 PolarHBondContact O-N 3.17Å
128Y98Very high98.2Very high28 Ų2850 Ų5011%0.1127%0.269CS..  trans-121.2136.5-170.5-59.8-84.5000112.4L97 H99 F125 P126 T216 L266L97-Y128 HydrophobicContact CB-CD1 3.64Å; L97-Y128 HydrophobicContact CB-CD2 4.11Å; L97-Y128 HydrophobicContact CB-CE1 4.11Å; L97-Y128 HydrophobicContact CB-CG 3.66Å; L97-Y128 HydrophobicContact CD1-CD2 4Å; L97-Y128 HydrophobicContact CD1-CE2 4.28Å; L97-Y128 HydrophobicContact CD1-CG 4.36Å; L97-Y128 HydrophobicContact CG-CG 4.46Å; H99-Y128 AromaticContact CE1-CE1 3.89Å; F125-Y128 HydrophobicContact CB-CD2 3.95Å; F125-Y128 PolarHBondContact O-N 3.07Å; P126-Y128 VanDerWaalsContact C-N 3.29Å; P126-Y128 PolarHBondContact O-N 3.03Å; Y128-T216 HydrophobicContact CE1-CG2 3.82Å; Y128-T216 HydrophobicContact CE2-CG2 3.73Å; Y128-T216 WeakPolarHBondContact OH-CB 3.32Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.33Å; Y128-T216 PolarHBondContact OH-OG1 3.07Å; Y128-L266 HydrophobicContact CE2-CD1 3.85Å
129G97.5Very high98.2Very high49 Ų4947.1 Ų47.151%0.50525%0.251SS..SBendtrans-101.3-10.8-177.100000114.6F98F98-G129 PolarHBondContact O-N 3.41Å
130Y98.3Very high98.2Very high46 Ų4643.4 Ų43.418%0.1823%0.225CC..EExtended strand (participates in β ladder)trans-152.4159.2-176.5-171.8-102.7000111.3F98 E100 A101 I102 K116 W132F98-Y130 HydrophobicContact CB-CD1 4.43Å; F98-Y130 HydrophobicContact CD2-CD1 4Å; F98-Y130 PolarHBondContact N-O 3.15Å; F98-Y130 PolarHBondContact O-N 3.48Å; F98-Y130 VanDerWaalsContact O-O 3.1Å; E100-Y130 WeakPolarHBondContact O-CB 3.36Å; A101-Y130 HydrophobicContact CB-CD2 4.02Å; A101-Y130 HydrophobicContact CB-CE2 4.22Å; A101-Y130 HydrophobicContact CB-CG 4.25Å; I102-Y130 HydrophobicContact CG1-CD1 4.24Å; I102-Y130 HydrophobicContact CG1-CE1 4.12Å; K116-Y130 HydrophobicContact CG-CE2 4.2Å; K116-Y130 WeakPolarHBondContact CG-OH 3.43Å; Y130-W132 AromaticContact CE1-CD1 3.98Å; Y130-W132 AromaticContact CE1-NE1 3.42Å; Y130-W132 AromaticContact CZ-NE1 3.99Å
131G98.4Very high98.2Very high1 Ų133.6 Ų33.61%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-176.1171.6177.300000115.4N96 K116 L117N96-G131 CarbonylContact O-C 3.5Å; N96-G131 WeakPolarHBondContact O-CA 3.32Å; K116-G131 WeakPolarHBondContact CA-O 3.24Å; L117-G131 PolarHBondContact N-O 3.2Å
132W98.8Very high98.1Very high2 Ų237.4 Ų37.41%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-121.1147.2172.4-48.5-40.6000111.3L56 Y95 N96 F98 I102 P103 P105 W107 F114 R115 Y130L56-W132 HydrophobicContact CD2-CH2 4.06Å; L56-W132 HydrophobicContact CD2-CZ3 3.61Å; Y95-W132 WeakPolarHBondContact CA-O 3.46Å; N96-W132 HydrophobicContact CB-CB 4.41Å; N96-W132 HydrophobicContact CB-CE3 3.93Å; N96-W132 PolarHBondContact N-O 3.46Å; N96-W132 PolarHBondContact O-N 2.89Å; F98-W132 AromaticContact CE2-CD2 3.82Å; F98-W132 HydrophobicContact CE2-CD2 3.82Å; F98-W132 AromaticContact CE2-CE2 3.93Å; F98-W132 AromaticContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CG 4.45Å; F98-W132 HydrophobicContact CE2-CH2 4.1Å; F98-W132 HydrophobicContact CE2-CZ2 4.06Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CD2 4.35Å; F98-W132 AromaticContact CZ-CE3 3.96Å; F98-W132 HydrophobicContact CZ-CE3 3.96Å; F98-W132 AromaticContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CZ2 4.17Å; F98-W132 AromaticContact CZ-CZ3 3.67Å; F98-W132 HydrophobicContact CZ-CZ3 3.67Å; I102-W132 HydrophobicContact CD1-CH2 3.39Å; I102-W132 HydrophobicContact CD1-CZ2 3.3Å; I102-W132 HydrophobicContact CD1-CZ3 4.44Å; I102-W132 HydrophobicContact CG1-CH2 4.25Å; I102-W132 HydrophobicContact CG1-CZ2 3.64Å; P103-W132 VanDerWaalsContact O-CZ2 3.23Å; P103-W132 WeakPolarHBondContact O-CZ2 3.5Å; P105-W132 HydrophobicContact CB-CH2 4.04Å; P105-W132 HydrophobicContact CB-CZ3 4.02Å; P105-W132 VanDerWaalsContact CD-CH2 3.47Å; P105-W132 HydrophobicContact CG-CE3 4.01Å; P105-W132 HydrophobicContact CG-CH2 3.84Å; P105-W132 HydrophobicContact CG-CZ2 4.42Å; P105-W132 HydrophobicContact CG-CZ3 3.59Å; W107-W132 HydrophobicContact CH2-CE3 4.19Å; W107-W132 HydrophobicContact CH2-CZ3 4.21Å; W107-W132 HydrophobicContact CZ2-CZ3 4.14Å; F114-W132 HydrophobicContact CD2-CB 4.38Å; F114-W132 HydrophobicContact CE2-CB 3.63Å; F114-W132 AromaticContact CE2-CD2 3.71Å; F114-W132 HydrophobicContact CE2-CD2 3.71Å; F114-W132 AromaticContact CE2-CE3 4Å; F114-W132 HydrophobicContact CE2-CE3 4Å; F114-W132 AromaticContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CZ-CB 3.96Å; F114-W132 AromaticContact CZ-CD1 3.57Å; F114-W132 AromaticContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CE3 4.41Å; F114-W132 AromaticContact CZ-CG 3.49Å; F114-W132 HydrophobicContact CZ-CG 3.49Å; F114-W132 VanDerWaalsContact CZ-CG 3.49Å; F114-W132 AromaticContact CZ-NE1 3.86Å; R115-W132 CarbonylContact O-C 3.54Å; R115-W132 VanDerWaalsContact O-CA 3.29Å; R115-W132 WeakPolarHBondContact O-CA 3.45Å; Y130-W132 AromaticContact CE1-CD1 3.98Å; Y130-W132 AromaticContact CE1-NE1 3.42Å; Y130-W132 AromaticContact CZ-NE1 3.99Å
133F98.9Very high98.1Very high30 Ų3037.5 Ų37.513%0.13221%0.206CC..EExtended strand (participates in β ladder)trans-114.4138.3166.2-177.8-88.2000109.3G94 Y95 F114 R115 L117G94-F133 WeakPolarHBondContact O-CA 3.36Å; G94-F133 WeakPolarHBondContact O-CD2 3.47Å; Y95-F133 HydrophobicContact CD1-CD2 4.01Å; Y95-F133 AromaticContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CE2 4.11Å; F114-F133 CarbonylContact C-O 3.57Å; F114-F133 WeakPolarHBondContact CA-O 3.36Å; R115-F133 HydrophobicContact CG-CB 4.09Å; R115-F133 PolarHBondContact N-O 3.2Å; R115-F133 PolarHBondContact O-N 3.49Å; L117-F133 HydrophobicContact CD2-CB 3.64Å
134H98.9Very high98.1Very high0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-157.3164.51696375.2000111S93 G94 N96 W107 V111 F114 F213S93-H134 WeakPolarHBondContact CA-O 3.3Å; G94-H134 PolarHBondContact N-O 3.05Å; G94-H134 PolarHBondContact O-N 3.39Å; N96-H134 PolarHBondContact ND2-NE2 2.78Å; W107-H134 AromaticContact CH2-NE2 3.69Å; W107-H134 AromaticContact CZ3-CD2 3.72Å; W107-H134 AromaticContact CZ3-NE2 3.55Å; V111-H134 HydrophobicContact CB-CB 4.18Å; V111-H134 HydrophobicContact CG2-CB 3.66Å; F114-H134 HydrophobicContact CB-CB 4.41Å; F114-H134 HydrophobicContact CD2-CB 4.41Å; H134-F213 AromaticContact CE1-CE1 3.8Å; H134-F213 AromaticContact CE1-CE2 3.95Å; H134-F213 AromaticContact CE1-CZ 3.14Å; H134-F213 WeakPolarHBondContact CE1-CZ 2.97Å; H134-F213 AromaticContact ND1-CE1 3.99Å; H134-F213 AromaticContact ND1-CZ 3.53Å; H134-F213 AromaticContact NE2-CZ 3.6Å
135T98.9Very high98.1Very high29 Ų2927.1 Ų27.118%0.17815%0.152CC..EExtended strand (participates in β ladder)trans-100.3129.6165.2-55.60000109.2L91 I92 S93 L112L91-T135 HydrophobicContact CB-CG2 4.15Å; L91-T135 HydrophobicContact CD2-CG2 4.06Å; I92-T135 CarbonylContact O-C 3.53Å; I92-T135 WeakPolarHBondContact O-CA 3.36Å; S93-T135 PolarHBondContact OG-OG1 3.39Å; L112-T135 PolarHBondContact N-O 2.93Å; L112-T135 PolarHBondContact O-N 2.82Å
136S98.7Very high98.1Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-127-162.7176.1-164.70000109.9W52 L91 I92W52-S136 PolarHBondContact O-OG 2.92Å; L91-S136 WeakPolarHBondContact CA-O 3.39Å; I92-S136 PolarHBondContact N-O 3.38Å; I92-S136 PolarHBondContact O-N 2.81Å
137L98.6Very high98.1Very high0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-117.1139.9179.6-63.7159.7000109.7W52 F72 L75 L76 V79 L89 F90 L91W52-L137 HydrophobicContact CB-CB 4.18Å; W52-L137 WeakPolarHBondContact CB-O 3.38Å; W52-L137 PolarHBondContact N-O 2.78Å; F72-L137 HydrophobicContact CD2-CD1 3.83Å; F72-L137 HydrophobicContact CE2-CD1 3.73Å; F72-L137 HydrophobicContact CE2-CG 4.05Å; F72-L137 HydrophobicContact CG-CD1 4.4Å; F72-L137 HydrophobicContact CZ-CD1 4.18Å; F72-L137 HydrophobicContact CZ-CG 4.47Å; L75-L137 HydrophobicContact CB-CD1 3.65Å; L76-L137 HydrophobicContact CB-CD1 4.4Å; V79-L137 HydrophobicContact CB-CD2 4.23Å; V79-L137 HydrophobicContact CG2-CD2 3.86Å; L89-L137 HydrophobicContact CD1-CB 4.19Å; L89-L137 HydrophobicContact CD1-CD2 4.06Å; F90-L137 CarbonylContact O-C 3.5Å; F90-L137 WeakPolarHBondContact O-CA 3.48Å; L91-L137 HydrophobicContact CD2-CD2 3.56Å; L91-L137 HydrophobicContact CD2-CG 4.31Å; L91-L137 HydrophobicContact CG-CD2 4.23Å
138I98.6Very high98.2Very high0 Ų022.3 Ų22.30%012%0.116CC..EExtended strand (participates in β ladder)trans-90.1138.2156.4-65.6-57.6000107.8G50 L51 L89 F90 I92 E140 I230G50-I138 CarbonylContact O-C 3.58Å; G50-I138 WeakPolarHBondContact O-CA 3.43Å; L51-I138 HydrophobicContact CB-CD1 4.24Å; L51-I138 HydrophobicContact CD1-CD1 4.11Å; L89-I138 VanDerWaalsContact CA-O 3.26Å; L89-I138 WeakPolarHBondContact CA-O 3.4Å; L89-I138 VanDerWaalsContact CD1-O 3.3Å; L89-I138 WeakPolarHBondContact CD1-O 3.4Å; F90-I138 HydrophobicContact CD1-CB 3.97Å; F90-I138 HydrophobicContact CD1-CG2 4.16Å; F90-I138 HydrophobicContact CD2-CB 4.24Å; F90-I138 HydrophobicContact CD2-CG1 4.3Å; F90-I138 HydrophobicContact CE1-CB 3.49Å; F90-I138 VanDerWaalsContact CE1-CB 3.49Å; F90-I138 HydrophobicContact CE1-CG1 4.08Å; F90-I138 HydrophobicContact CE1-CG2 3.36Å; F90-I138 HydrophobicContact CE2-CB 3.81Å; F90-I138 HydrophobicContact CE2-CG1 3.57Å; F90-I138 HydrophobicContact CE2-CG2 4.42Å; F90-I138 HydrophobicContact CG-CB 4.32Å; F90-I138 HydrophobicContact CZ-CB 3.43Å; F90-I138 VanDerWaalsContact CZ-CB 3.43Å; F90-I138 HydrophobicContact CZ-CG1 3.45Å; F90-I138 VanDerWaalsContact CZ-CG1 3.45Å; F90-I138 HydrophobicContact CZ-CG2 3.54Å; F90-I138 PolarHBondContact N-O 3.15Å; F90-I138 VanDerWaalsContact N-O 3.17Å; F90-I138 PolarHBondContact O-N 3.34Å; I92-I138 HydrophobicContact CB-CD1 4.48Å; I92-I138 HydrophobicContact CB-CG1 3.92Å; I92-I138 HydrophobicContact CD1-CD1 4.07Å; I92-I138 HydrophobicContact CD1-CG1 3.93Å; I92-I138 HydrophobicContact CG2-CD1 3.75Å; I92-I138 HydrophobicContact CG2-CG1 3.58Å; I138-E140 HydrophobicContact CG2-CG 3.79Å; I138-I230 HydrophobicContact CD1-CG2 3.64Å
139L98.6Very high98.2Very high2 Ų222.8 Ų22.81%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-130.4100.5166.4-177.565.5000108.1G50 L75 G88 L89 G141 Y144 L316G50-L139 VanDerWaalsContact CA-O 3.32Å; G50-L139 WeakPolarHBondContact CA-O 3.39Å; G50-L139 PolarHBondContact O-N 3.45Å; L75-L139 HydrophobicContact CD1-CD2 3.93Å; L75-L139 HydrophobicContact CD2-CD1 4.08Å; L75-L139 HydrophobicContact CD2-CD2 3.92Å; G88-L139 CarbonylContact O-C 3.44Å; G88-L139 WeakPolarHBondContact O-CA 3.5Å; L89-L139 HydrophobicContact CB-CD1 4.26Å; L89-L139 HydrophobicContact CD1-CD1 4.4Å; L139-G141 PolarHBondContact O-N 3.47Å; L139-Y144 HydrophobicContact CD1-CD1 4.02Å; L139-Y144 HydrophobicContact CD1-CD2 3.87Å; L139-Y144 HydrophobicContact CD1-CE1 4.48Å; L139-Y144 HydrophobicContact CD1-CE2 4.39Å; L139-Y144 HydrophobicContact CD1-CG 3.67Å; L139-Y144 HydrophobicContact CD2-CD1 3.66Å; L139-Y144 HydrophobicContact CD2-CE1 3.78Å; L139-Y144 HydrophobicContact CD2-CG 4.21Å; L139-Y144 HydrophobicContact CG-CD1 3.98Å; L139-Y144 HydrophobicContact CG-CG 4.07Å; L139-L316 HydrophobicContact CD2-CD2 3.99Å; L139-L316 HydrophobicContact CG-CD2 4.33Å; L139-L316 WeakPolarHBondContact O-CD1 3.4Å
140E98Very high98.2Very high22 Ų2225.6 Ų25.610%0.10312%0.122CC..  trans-72.4112-179.2-64.6-170.2129.400110.8G88 I138 K142 N143 Y144 G232 T233G88-E140 PolarHBondContact O-N 3.4Å; I138-E140 HydrophobicContact CG2-CG 3.79Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 3.39Å; E140-N143 HydrophobicContact CB-CB 4.39Å; E140-N143 PolarHBondContact O-N 3.23Å; E140-N143 VanDerWaalsContact O-N 3.15Å; E140-Y144 WeakPolarHBondContact O-CB 2.95Å; E140-Y144 PolarHBondContact O-N 2.9Å; E140-G232 WeakPolarHBondContact OE1-CA 3.37Å; E140-T233 VanDerWaalsContact CD-OG1 3.24Å; E140-T233 PolarHBondContact OE1-N 3.31Å; E140-T233 PolarHBondContact OE1-OG1 2.96Å; E140-T233 WeakPolarHBondContact OE2-CB 3.16Å; E140-T233 WeakPolarHBondContact OE2-CG2 3.35Å; E140-T233 PolarHBondContact OE2-OG1 3.35Å
141G98.1Very high98.1Very high3 Ų325.8 Ų25.83%0.03112%0.122CC..Hα-helixtrans-53.4-42.9-173.400000113.7L139 Y144 L145L139-G141 PolarHBondContact O-N 3.47Å; G141-Y144 PolarHBondContact O-N 2.74Å; G141-L145 WeakPolarHBondContact O-CB 3.49Å; G141-L145 VanDerWaalsContact O-CG 3.24Å; G141-L145 WeakPolarHBondContact O-CG 3.01Å; G141-L145 PolarHBondContact O-N 3.41Å
142K97.1Very high98.1Very high102 Ų10225.8 Ų25.844%0.44312%0.122SC..Hα-helixtrans-59.2-50.8178.9-176.2-178174.9-172.90112.5T40 D46 E140 Q146T40-K142 HydrophobicContact CG2-CG 3.94Å; D46-K142 WeakPolarHBondContact OD1-CA 3.42Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 3.39Å; K142-Q146 WeakPolarHBondContact O-CG 3.3Å; K142-Q146 PolarHBondContact O-N 2.79Å
143N97.6Very high98.1Very high36 Ų3629.4 Ų29.419%0.19314%0.144CC..Hα-helixtrans-66.6-43.5-178.9-61.336.3000110.2E140 L145 Q146 W147E140-N143 HydrophobicContact CB-CB 4.39Å; E140-N143 PolarHBondContact O-N 3.23Å; E140-N143 VanDerWaalsContact O-N 3.15Å; N143-L145 PolarHBondContact O-N 3.48Å; N143-Q146 WeakPolarHBondContact O-CB 3.46Å; N143-Q146 PolarHBondContact O-N 2.97Å; N143-W147 PolarHBondContact O-N 2.84Å
144Y98.2Very high98.1Very high0 Ų033.8 Ų33.80%017%0.165CC..Hα-helixtrans-64.7-38.1-178.8-171.5-134.4000112.8V10 L87 L139 E140 G141 W147 L148 H319V10-Y144 HydrophobicContact CG2-CD1 3.86Å; V10-Y144 HydrophobicContact CG2-CE1 3.72Å; L87-Y144 HydrophobicContact CB-CD2 4.47Å; L87-Y144 HydrophobicContact CD2-CD2 4.34Å; L87-Y144 HydrophobicContact CD2-CE2 4.17Å; L87-Y144 HydrophobicContact CG-CD2 4.44Å; L87-Y144 PolarHBondContact O-N 3.19Å; L139-Y144 HydrophobicContact CD1-CD1 4.02Å; L139-Y144 HydrophobicContact CD1-CD2 3.87Å; L139-Y144 HydrophobicContact CD1-CE1 4.48Å; L139-Y144 HydrophobicContact CD1-CE2 4.39Å; L139-Y144 HydrophobicContact CD1-CG 3.67Å; L139-Y144 HydrophobicContact CD2-CD1 3.66Å; L139-Y144 HydrophobicContact CD2-CE1 3.78Å; L139-Y144 HydrophobicContact CD2-CG 4.21Å; L139-Y144 HydrophobicContact CG-CD1 3.98Å; L139-Y144 HydrophobicContact CG-CG 4.07Å; E140-Y144 WeakPolarHBondContact O-CB 2.95Å; E140-Y144 PolarHBondContact O-N 2.9Å; G141-Y144 PolarHBondContact O-N 2.74Å; Y144-W147 HydrophobicContact CD2-CE3 4.21Å; Y144-W147 AromaticContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CZ3 4.13Å; Y144-W147 PolarHBondContact O-N 2.67Å; Y144-L148 HydrophobicContact CD1-CD1 3.91Å; Y144-L148 HydrophobicContact CD2-CD1 4.48Å; Y144-L148 HydrophobicContact CD2-CG 4.25Å; Y144-L148 HydrophobicContact CE1-CD1 3.66Å; Y144-L148 HydrophobicContact CE1-CG 4.31Å; Y144-L148 HydrophobicContact CE2-CD1 4.23Å; Y144-L148 HydrophobicContact CE2-CD2 4.13Å; Y144-L148 HydrophobicContact CE2-CG 3.96Å; Y144-L148 HydrophobicContact CG-CD1 4.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.21Å; Y144-L148 WeakPolarHBondContact O-CG 3.31Å; Y144-L148 PolarHBondContact O-N 3.33Å; Y144-H319 AromaticContact CE1-CD2 3.93Å; Y144-H319 AromaticContact CE1-CE1 3.72Å; Y144-H319 AromaticContact CE1-NE2 3.36Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.44Å; Y144-H319 AromaticContact CZ-NE2 3.5Å; Y144-H319 PolarHBondContact OH-NE2 3.07Å
145L98.6Very high98Very high0 Ų037.7 Ų37.70%018%0.18CC..Hα-helixtrans-65.4-38.6174.2-70.2-174.7000112.9G9 V10 L13 T40 T43 T45 G141 N143 L148 T149G9-L145 VanDerWaalsContact C-CD2 3.48Å; V10-L145 HydrophobicContact CB-CD2 4.32Å; L13-L145 HydrophobicContact CD1-CB 4.27Å; L13-L145 HydrophobicContact CD1-CD2 3.68Å; L13-L145 HydrophobicContact CG-CD2 4.27Å; T40-L145 WeakPolarHBondContact OG1-CB 3.34Å; T40-L145 WeakPolarHBondContact OG1-CD1 3.31Å; T43-L145 HydrophobicContact CG2-CD1 4.27Å; T43-L145 WeakPolarHBondContact OG1-CD1 3.45Å; T45-L145 HydrophobicContact CG2-CD1 3.79Å; T45-L145 HydrophobicContact CG2-CD2 4.01Å; T45-L145 HydrophobicContact CG2-CG 3.79Å; G141-L145 WeakPolarHBondContact O-CB 3.49Å; G141-L145 VanDerWaalsContact O-CG 3.24Å; G141-L145 WeakPolarHBondContact O-CG 3.01Å; G141-L145 PolarHBondContact O-N 3.41Å; N143-L145 PolarHBondContact O-N 3.48Å; L145-L148 PolarHBondContact O-N 2.61Å; L145-T149 WeakPolarHBondContact O-CB 3.34Å; L145-T149 PolarHBondContact O-N 2.83Å; L145-T149 PolarHBondContact O-OG1 2.89Å
146Q97.7Very high97.9Very high93 Ų9338.9 Ų38.944%0.43520%0.198SC..Hα-helixtrans-60.5-50.1173.8-69.5177.5-3400110.2T40 K142 N143 L148 T149 E150T40-Q146 HydrophobicContact CG2-CG 3.99Å; K142-Q146 WeakPolarHBondContact O-CG 3.3Å; K142-Q146 PolarHBondContact O-N 2.79Å; N143-Q146 WeakPolarHBondContact O-CB 3.46Å; N143-Q146 PolarHBondContact O-N 2.97Å; Q146-L148 PolarHBondContact O-N 2.85Å; Q146-T149 PolarHBondContact O-N 3.35Å; Q146-E150 WeakPolarHBondContact O-CG 3.48Å; Q146-E150 PolarHBondContact O-N 2.85Å
147W97.1Very high97.9Very high26 Ų2639.1 Ų39.110%0.09820%0.199CC..Hα-helixtrans-58.8-46.4177.9-176.289.5000112.8L17 L87 N143 Y144 T149 E150 R151L17-W147 HydrophobicContact CD2-CZ3 4.16Å; L87-W147 HydrophobicContact CD1-CD2 4.1Å; L87-W147 HydrophobicContact CD1-CG 4.1Å; L87-W147 HydrophobicContact CD1-CZ2 4.26Å; L87-W147 HydrophobicContact CD2-CD2 4.27Å; L87-W147 HydrophobicContact CD2-CE3 4.38Å; L87-W147 HydrophobicContact CD2-CH2 4.5Å; L87-W147 HydrophobicContact CD2-CZ2 4.38Å; L87-W147 HydrophobicContact CD2-CZ3 4.5Å; L87-W147 HydrophobicContact CG-CD2 3.8Å; L87-W147 HydrophobicContact CG-CE3 4.32Å; L87-W147 HydrophobicContact CG-CG 3.88Å; L87-W147 HydrophobicContact CG-CZ2 4.49Å; N143-W147 PolarHBondContact O-N 2.84Å; Y144-W147 HydrophobicContact CD2-CE3 4.21Å; Y144-W147 AromaticContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CZ3 4.13Å; Y144-W147 PolarHBondContact O-N 2.67Å; W147-T149 VanDerWaalsContact C-N 3.33Å; W147-T149 PolarHBondContact O-N 3.05Å; W147-E150 PolarHBondContact O-N 3.42Å; W147-R151 HydrophobicContact CD2-CG 3.87Å; W147-R151 HydrophobicContact CE3-CG 4.03Å; W147-R151 HydrophobicContact CH2-CG 3.85Å; W147-R151 HydrophobicContact CZ2-CG 3.67Å; W147-R151 HydrophobicContact CZ3-CG 4.02Å; W147-R151 VanDerWaalsContact O-CG 3.3Å; W147-R151 WeakPolarHBondContact O-CG 3.23Å; W147-R151 PolarHBondContact O-N 2.73Å
148L98Very high97.9Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-61.7-41.4177.4-74.2171.9000111.7L13 L17 Y144 L145 Q146 R151 L152L13-L148 HydrophobicContact CB-CB 3.87Å; L13-L148 HydrophobicContact CB-CD1 3.79Å; L13-L148 HydrophobicContact CB-CG 4.42Å; L13-L148 HydrophobicContact CD1-CB 4.05Å; L17-L148 HydrophobicContact CD2-CD2 3.56Å; Y144-L148 HydrophobicContact CD1-CD1 3.91Å; Y144-L148 HydrophobicContact CD2-CD1 4.48Å; Y144-L148 HydrophobicContact CD2-CG 4.25Å; Y144-L148 HydrophobicContact CE1-CD1 3.66Å; Y144-L148 HydrophobicContact CE1-CG 4.31Å; Y144-L148 HydrophobicContact CE2-CD1 4.23Å; Y144-L148 HydrophobicContact CE2-CD2 4.13Å; Y144-L148 HydrophobicContact CE2-CG 3.96Å; Y144-L148 HydrophobicContact CG-CD1 4.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.21Å; Y144-L148 WeakPolarHBondContact O-CG 3.31Å; Y144-L148 PolarHBondContact O-N 3.33Å; L145-L148 PolarHBondContact O-N 2.61Å; Q146-L148 PolarHBondContact O-N 2.85Å; L148-R151 PolarHBondContact O-N 2.66Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.23Å; L148-L152 WeakPolarHBondContact O-CD1 3.34Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.08Å; L148-L152 PolarHBondContact O-N 2.78Å
149T98.4Very high97.9Very high38 Ų3847.6 Ų47.623%0.23324%0.236CC..Hα-helixtrans-63.6-42.9178.2-57.60000111.3L13 L145 Q146 W147 L152 T153 F159L13-T149 WeakPolarHBondContact CD1-OG1 3.38Å; L145-T149 WeakPolarHBondContact O-CB 3.34Å; L145-T149 PolarHBondContact O-N 2.83Å; L145-T149 PolarHBondContact O-OG1 2.89Å; Q146-T149 PolarHBondContact O-N 3.35Å; W147-T149 VanDerWaalsContact C-N 3.33Å; W147-T149 PolarHBondContact O-N 3.05Å; T149-L152 PolarHBondContact O-N 3.15Å; T149-T153 WeakPolarHBondContact O-CB 3.31Å; T149-T153 PolarHBondContact O-N 3.13Å; T149-T153 PolarHBondContact O-OG1 3.09Å; T149-F159 HydrophobicContact CG2-CD2 4.46Å; T149-F159 HydrophobicContact CG2-CE1 4.15Å; T149-F159 HydrophobicContact CG2-CE2 4Å; T149-F159 HydrophobicContact CG2-CZ 3.82Å
150E97.3Very high97.9Very high108 Ų10851.2 Ų51.251%0.50525%0.252SS..Hα-helixtrans-61.4-50.6175.2-72.4173.4-17500111.4Q146 W147 L152 T153 E154Q146-E150 WeakPolarHBondContact O-CG 3.48Å; Q146-E150 PolarHBondContact O-N 2.85Å; W147-E150 PolarHBondContact O-N 3.42Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.94Å; E150-T153 PolarHBondContact O-N 3.28Å; E150-T153 VanDerWaalsContact O-N 3.12Å; E150-E154 WeakPolarHBondContact O-CG 3.45Å; E150-E154 PolarHBondContact O-N 3.46Å
151R96.4Very high98Very high50 Ų5056.8 Ų56.819%0.18928%0.278CS..Hα-helixtrans-59.9-37.3178.7-68.9-6694106.52.5113L17 W147 L148 E154 R155L17-R151 HydrophobicContact CD1-CB 4.39Å; W147-R151 HydrophobicContact CD2-CG 3.87Å; W147-R151 HydrophobicContact CE3-CG 4.03Å; W147-R151 HydrophobicContact CH2-CG 3.85Å; W147-R151 HydrophobicContact CZ2-CG 3.67Å; W147-R151 HydrophobicContact CZ3-CG 4.02Å; W147-R151 VanDerWaalsContact O-CG 3.3Å; W147-R151 WeakPolarHBondContact O-CG 3.23Å; W147-R151 PolarHBondContact O-N 2.73Å; L148-R151 PolarHBondContact O-N 2.66Å; R151-E154 IonicContact CZ-OE1 3.77Å; R151-E154 IonicContact CZ-OE2 2.96Å; R151-E154 VanDerWaalsContact CZ-OE2 3.32Å; R151-E154 IonicContact NE-OE1 3.13Å; R151-E154 IonicContact NE-OE2 3.64Å; R151-E154 PolarHBondContact NE-OE2 2.94Å; R151-E154 IonicContact NH2-OE1 2.73Å; R151-E154 PolarHBondContact NH2-OE1 3.19Å; R151-E154 IonicContact NH2-OE2 3.35Å; R151-E154 PolarHBondContact NH2-OE2 3.37Å; R151-R155 VanDerWaalsContact O-CD 3.27Å; R151-R155 WeakPolarHBondContact O-CD 3.23Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.07Å; R151-R155 PolarHBondContact O-N 3.13Å; R151-R155 PolarHBondContact O-NH1 3.5Å
152L98.5Very high97.9Very high0 Ų059.4 Ų59.40%029%0.287CS..Hα-helixtrans-69.6-42.8174.8-79.2168.1000111.9L13 A16 L17 L148 T149 E150 R155 G156 V157 F159L13-L152 HydrophobicContact CB-CD1 4.16Å; L13-L152 HydrophobicContact CD2-CD1 4.05Å; A16-L152 HydrophobicContact CB-CD1 4.14Å; A16-L152 HydrophobicContact CB-CD2 3.91Å; L17-L152 HydrophobicContact CB-CD2 4.05Å; L17-L152 HydrophobicContact CB-CG 4.34Å; L17-L152 HydrophobicContact CD1-CD2 4.34Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.23Å; L148-L152 WeakPolarHBondContact O-CD1 3.34Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.08Å; L148-L152 PolarHBondContact O-N 2.78Å; T149-L152 PolarHBondContact O-N 3.15Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.94Å; L152-R155 CarbonylContact O-C 3.53Å; L152-R155 WeakPolarHBondContact O-CA 3.41Å; L152-R155 WeakPolarHBondContact O-CB 3.35Å; L152-R155 PolarHBondContact O-N 2.88Å; L152-R155 VanDerWaalsContact O-N 3.1Å; L152-G156 PolarHBondContact O-N 3.32Å; L152-V157 HydrophobicContact CB-CB 4.06Å; L152-V157 HydrophobicContact CB-CG1 4.45Å; L152-V157 HydrophobicContact CB-CG2 4.45Å; L152-V157 HydrophobicContact CD2-CB 4.09Å; L152-V157 HydrophobicContact CD2-CG1 4.19Å; L152-V157 HydrophobicContact CD2-CG2 3.74Å; L152-V157 WeakPolarHBondContact O-CB 3.3Å; L152-V157 PolarHBondContact O-N 3.39Å; L152-F159 HydrophobicContact CB-CE2 3.99Å; L152-F159 HydrophobicContact CB-CZ 3.67Å; L152-F159 HydrophobicContact CD1-CE1 4.38Å; L152-F159 HydrophobicContact CD1-CZ 3.79Å; L152-F159 HydrophobicContact CG-CZ 4.38Å
153T98.4Very high98Very high79 Ų7960.5 Ų60.549%0.48529%0.292SS..Hα-helixtrans-62.7-44178.3-590000111.3T149 E150 R155 G156T149-T153 WeakPolarHBondContact O-CB 3.31Å; T149-T153 PolarHBondContact O-N 3.13Å; T149-T153 PolarHBondContact O-OG1 3.09Å; E150-T153 PolarHBondContact O-N 3.28Å; E150-T153 VanDerWaalsContact O-N 3.12Å; T153-R155 PolarHBondContact O-N 3.43Å; T153-G156 PolarHBondContact O-N 3.42Å
154E97.7Very high98Very high122 Ų12259.6 Ų59.657%0.5729%0.287SS*.Hα-helixtrans-59.3-28.6174.1-72.2167.4177.400113E150 R151 G156E150-E154 WeakPolarHBondContact O-CG 3.45Å; E150-E154 PolarHBondContact O-N 3.46Å; R151-E154 IonicContact CZ-OE1 3.77Å; R151-E154 IonicContact CZ-OE2 2.96Å; R151-E154 VanDerWaalsContact CZ-OE2 3.32Å; R151-E154 IonicContact NE-OE1 3.13Å; R151-E154 IonicContact NE-OE2 3.64Å; R151-E154 PolarHBondContact NE-OE2 2.94Å; R151-E154 IonicContact NH2-OE1 2.73Å; R151-E154 PolarHBondContact NH2-OE1 3.19Å; R151-E154 IonicContact NH2-OE2 3.35Å; R151-E154 PolarHBondContact NH2-OE2 3.37Å; E154-G156 VanDerWaalsContact C-N 3.29Å
155R97.6Very high98Very high82 Ų8264.9 Ų64.931%0.30931%0.312SS..THydrogen-bonded Turntrans-86.84.4176.7-74.3166179.165.2-5.3113.1H20 E21 R151 L152 T153 V157H20-R155 PolarHBondContact NE2-O 3.26Å; E21-R155 IonicContact OE1-CZ 2.62Å; E21-R155 IonicContact OE1-NE 3.59Å; E21-R155 IonicContact OE1-NH2 3.96Å; E21-R155 PolarHBondContact OE1-NH2 3.39Å; R151-R155 VanDerWaalsContact O-CD 3.27Å; R151-R155 WeakPolarHBondContact O-CD 3.23Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.07Å; R151-R155 PolarHBondContact O-N 3.13Å; R151-R155 PolarHBondContact O-NH1 3.5Å; L152-R155 CarbonylContact O-C 3.53Å; L152-R155 WeakPolarHBondContact O-CA 3.41Å; L152-R155 WeakPolarHBondContact O-CB 3.35Å; L152-R155 PolarHBondContact O-N 2.88Å; L152-R155 VanDerWaalsContact O-N 3.1Å; T153-R155 PolarHBondContact O-N 3.43Å; R155-V157 VanDerWaalsContact C-N 3.33Å
156G97.5Very high97.9Very high53 Ų5366.6 Ų66.655%0.54632%0.324SS..THydrogen-bonded Turntrans79.310.717800000114.9L152 T153 E154L152-G156 PolarHBondContact O-N 3.32Å; T153-G156 PolarHBondContact O-N 3.42Å; E154-G156 VanDerWaalsContact C-N 3.29Å
157V98.5Very high97.9Very high6 Ų662.6 Ų62.64%0.03631%0.305CS..  trans-70.7132.3173.21790000109.3I32 V34 L152 R155I32-V157 HydrophobicContact CB-CG1 4.26Å; I32-V157 HydrophobicContact CB-CG2 4.12Å; I32-V157 HydrophobicContact CG2-CG1 4.02Å; I32-V157 HydrophobicContact CG2-CG2 4.46Å; I32-V157 WeakPolarHBondContact O-CG1 3.38Å; V34-V157 HydrophobicContact CG2-CG1 3.99Å; L152-V157 HydrophobicContact CB-CB 4.06Å; L152-V157 HydrophobicContact CB-CG1 4.45Å; L152-V157 HydrophobicContact CB-CG2 4.45Å; L152-V157 HydrophobicContact CD2-CB 4.09Å; L152-V157 HydrophobicContact CD2-CG1 4.19Å; L152-V157 HydrophobicContact CD2-CG2 3.74Å; L152-V157 WeakPolarHBondContact O-CB 3.3Å; L152-V157 PolarHBondContact O-N 3.39Å; R155-V157 VanDerWaalsContact C-N 3.33Å
158K98.3Very high97.8Very high123 Ų12365 Ų6554%0.53532%0.317SS..EExtended strand (participates in β ladder)trans-102.7140.7-175.2-64.4177-177.8175.20111.7I32 K33 V34 F160I32-K158 PolarHBondContact O-N 3.15Å; K33-K158 CarbonylContact C-O 3.56Å; K33-K158 VanDerWaalsContact CA-O 3.32Å; K33-K158 WeakPolarHBondContact CA-O 3.43Å; V34-K158 PolarHBondContact N-O 3.04Å; K158-F160 HydrophobicContact CB-CD2 4.49Å; K158-F160 HydrophobicContact CB-CE2 3.54Å; K158-F160 HydrophobicContact CB-CZ 3.95Å; K158-F160 HydrophobicContact CD-CZ 4.47Å
159F98.8Very high97.7Very high54 Ų5467 Ų6724%0.23733%0.327CS..EExtended strand (participates in β ladder)trans-111.2140.3-177.9-66-92.3000111.3L13 V34 F39 T149 L152L13-F159 HydrophobicContact CD2-CE1 3.73Å; L13-F159 HydrophobicContact CD2-CZ 4.45Å; V34-F159 HydrophobicContact CB-CD1 3.6Å; V34-F159 HydrophobicContact CB-CE1 3.8Å; V34-F159 HydrophobicContact CB-CG 4.43Å; V34-F159 HydrophobicContact CG1-CD1 3.91Å; V34-F159 HydrophobicContact CG1-CE1 4.04Å; V34-F159 HydrophobicContact CG2-CD1 4.09Å; V34-F159 HydrophobicContact CG2-CE1 3.78Å; V34-F159 HydrophobicContact CG2-CZ 4.37Å; F39-F159 HydrophobicContact CE1-CB 4.43Å; F39-F159 AromaticContact CE1-CD1 3.81Å; F39-F159 HydrophobicContact CE1-CD1 3.81Å; T149-F159 HydrophobicContact CG2-CD2 4.46Å; T149-F159 HydrophobicContact CG2-CE1 4.15Å; T149-F159 HydrophobicContact CG2-CE2 4Å; T149-F159 HydrophobicContact CG2-CZ 3.82Å; L152-F159 HydrophobicContact CB-CE2 3.99Å; L152-F159 HydrophobicContact CB-CZ 3.67Å; L152-F159 HydrophobicContact CD1-CE1 4.38Å; L152-F159 HydrophobicContact CD1-CZ 3.79Å; L152-F159 HydrophobicContact CG-CZ 4.38Å
160F98.7Very high97.6Very high78 Ų7865.2 Ų65.234%0.34232%0.316SS..EExtended strand (participates in β ladder)trans-136.7124.9-178.8-57.7-98.5000110.9K33 V34 Y35 A36 K158 R162K33-F160 HydrophobicContact CB-CD2 4.25Å; K33-F160 HydrophobicContact CB-CE2 3.93Å; K33-F160 HydrophobicContact CD-CE2 3.75Å; K33-F160 HydrophobicContact CD-CZ 4.18Å; K33-F160 HydrophobicContact CG-CE2 3.82Å; V34-F160 PolarHBondContact O-N 3.18Å; Y35-F160 HydrophobicContact CD1-CB 3.67Å; Y35-F160 AromaticContact CD1-CD2 3.72Å; Y35-F160 HydrophobicContact CD1-CD2 3.72Å; Y35-F160 AromaticContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CE1-CB 3.84Å; Y35-F160 HydrophobicContact CE1-CD1 4.5Å; Y35-F160 AromaticContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CE2 4.04Å; Y35-F160 AromaticContact CE1-CG 3.66Å; Y35-F160 HydrophobicContact CE1-CG 3.66Å; A36-F160 PolarHBondContact N-O 3.43Å; A36-F160 VanDerWaalsContact N-O 3.17Å; K158-F160 HydrophobicContact CB-CD2 4.49Å; K158-F160 HydrophobicContact CB-CE2 3.54Å; K158-F160 HydrophobicContact CB-CZ 3.95Å; K158-F160 HydrophobicContact CD-CZ 4.47Å; F160-R162 PolarHBondContact O-N 2.97Å; F160-R162 VanDerWaalsContact O-N 3.13Å
161Q98.5Very high97.6Very high139 Ų13960.3 Ų60.365%0.6529%0.294SS*.EExtended strand (participates in β ladder)trans-69.4101.4168.9-174.473.925.200109.1A36 D37A36-Q161 CarbonylContact O-C 3.3Å; A36-Q161 WeakPolarHBondContact O-CA 3.3Å; D37-Q161 PolarHBondContact O-NE2 2.76Å
162R97.1Very high97.5Very high59 Ų5966.1 Ų66.122%0.22332%0.316CS..  trans-153.2128.7-173.3-175.4174.6177.2162.74.1112.2Y35 A36 D37 F160 V164 E169 E173Y35-R162 VanDerWaalsContact CE2-NH1 3.31Å; A36-R162 CarbonylContact C-O 3.56Å; A36-R162 PolarHBondContact O-N 3.3Å; D37-R162 PolarHBondContact N-O 3.48Å; F160-R162 PolarHBondContact O-N 2.97Å; F160-R162 VanDerWaalsContact O-N 3.13Å; R162-V164 HydrophobicContact CG-CG2 4.44Å; R162-E169 IonicContact CZ-OE1 2.84Å; R162-E169 IonicContact NE-OE1 3.14Å; R162-E169 PolarHBondContact NE-OE1 2.92Å; R162-E169 IonicContact NH2-OE1 3.56Å; R162-E169 PolarHBondContact NH2-OE1 3.04Å; R162-E173 IonicContact CZ-OE1 3.21Å; R162-E173 IonicContact CZ-OE2 2.71Å; R162-E173 IonicContact NH1-OE1 3.54Å; R162-E173 PolarHBondContact NH1-OE1 3.35Å; R162-E173 IonicContact NH1-OE2 2.86Å; R162-E173 PolarHBondContact NH1-OE2 3.2Å; R162-E173 IonicContact NH2-OE1 3.99Å; R162-E173 PolarHBondContact NH2-OE1 2.8Å; R162-E173 IonicContact NH2-OE2 3.93Å
163K98.4Very high97.2Very high125 Ų12570.6 Ų70.654%0.54334%0.337SS..  trans-85.8115.6162.3-172.8175.3176.3-114.50108.2D37 E165D37-K163 HydrophobicContact CB-CB 4.06Å; K163-E165 WeakPolarHBondContact CD-OE1 3.3Å; K163-E165 WeakPolarHBondContact CE-OE1 3.38Å; K163-E165 VanDerWaalsContact NZ-CD 3.35Å; K163-E165 IonicContact NZ-OE1 2.75Å; K163-E165 PolarHBondContact NZ-OE1 2.98Å; K163-E165 IonicContact NZ-OE2 2.71Å; K163-E165 PolarHBondContact NZ-OE2 3.2Å; K163-E165 VanDerWaalsContact NZ-OE2 3.14Å
164V98.4Very high97Very high16 Ų1667.6 Ų67.610%0.09732%0.321CS..  trans-84.1127.1175.7176.90000107.9I6 Y35 R162 S166 E169 V170 L189I6-V164 HydrophobicContact CD1-CG1 4.12Å; I6-V164 HydrophobicContact CD1-CG2 4.32Å; I6-V164 HydrophobicContact CG1-CG2 4.46Å; I6-V164 HydrophobicContact CG2-CB 4.35Å; I6-V164 HydrophobicContact CG2-CG2 4.01Å; Y35-V164 HydrophobicContact CD2-CG2 4.14Å; R162-V164 HydrophobicContact CG-CG2 4.44Å; V164-S166 VanDerWaalsContact CG1-O 3.23Å; V164-S166 WeakPolarHBondContact CG1-O 3.26Å; V164-E169 HydrophobicContact CG1-CG 4.27Å; V164-V170 HydrophobicContact CG1-CG2 3.52Å; V164-V170 HydrophobicContact CG2-CG2 4.14Å; V164-L189 HydrophobicContact CB-CD2 4.31Å; V164-L189 HydrophobicContact CG1-CD2 3.88Å; V164-L189 WeakPolarHBondContact O-CD2 3.19Å
165E98.1Very high97Very high112 Ų11262 Ų6252%0.52330%0.296SS..  trans-96.6-18.4-179.2-58.5-67.7167.900112.6K163 E169K163-E165 WeakPolarHBondContact CD-OE1 3.3Å; K163-E165 WeakPolarHBondContact CE-OE1 3.38Å; K163-E165 VanDerWaalsContact NZ-CD 3.35Å; K163-E165 IonicContact NZ-OE1 2.75Å; K163-E165 PolarHBondContact NZ-OE1 2.98Å; K163-E165 IonicContact NZ-OE2 2.71Å; K163-E165 PolarHBondContact NZ-OE2 3.2Å; K163-E165 VanDerWaalsContact NZ-OE2 3.14Å; E165-E169 PolarHBondContact N-OE2 3.1Å
166S97.3Very high96.8Very high36 Ų3660.4 Ų60.425%0.25229%0.293SS..  trans-160.2159.8173.465.40000112.4V164 E168 E169V164-S166 VanDerWaalsContact CG1-O 3.23Å; V164-S166 WeakPolarHBondContact CG1-O 3.26Å; S166-E168 PolarHBondContact O-N 2.92Å; S166-E168 PolarHBondContact OG-N 2.96Å; S166-E169 WeakPolarHBondContact O-CG 3.36Å; S166-E169 PolarHBondContact OG-N 3.16Å; S166-E169 VanDerWaalsContact OG-N 3.15Å
167F97.1Very high96.9Very high8 Ų857.9 Ų57.94%0.03527%0.267CS..Hα-helixtrans-65.5-27.4167.5-62-52.3000112.4I6 V170 A171 I178 N180 L189 Q190 L296 V305I6-F167 HydrophobicContact CD1-CD1 4.17Å; I6-F167 HydrophobicContact CD1-CE1 4.15Å; F167-V170 PolarHBondContact O-N 3.16Å; F167-A171 WeakPolarHBondContact O-CB 3.24Å; F167-A171 PolarHBondContact O-N 3.11Å; F167-I178 HydrophobicContact CB-CD1 4.15Å; F167-I178 HydrophobicContact CD1-CD1 4.37Å; F167-I178 HydrophobicContact CD1-CG2 4.03Å; F167-I178 HydrophobicContact CE1-CG2 4.31Å; F167-I178 WeakPolarHBondContact O-CD1 3.47Å; F167-N180 HydrophobicContact CE1-CB 3.93Å; F167-N180 HydrophobicContact CZ-CB 4.05Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.05Å; F167-L189 HydrophobicContact CD1-CD1 4.16Å; F167-L189 HydrophobicContact CD2-CB 4.44Å; F167-L189 HydrophobicContact CE1-CB 3.94Å; F167-L189 HydrophobicContact CE1-CD1 3.49Å; F167-L189 VanDerWaalsContact CE1-CD1 3.49Å; F167-L189 HydrophobicContact CE1-CG 4.33Å; F167-L189 HydrophobicContact CE2-CB 3.86Å; F167-L189 HydrophobicContact CZ-CB 3.55Å; F167-L189 HydrophobicContact CZ-CD1 3.89Å; F167-L189 HydrophobicContact CZ-CG 4.38Å; F167-Q190 HydrophobicContact CE2-CB 3.84Å; F167-L296 HydrophobicContact CB-CD2 3.56Å; F167-V305 HydrophobicContact CE1-CG1 4.5Å
168E95.4Very high96.9Very high76 Ų7657.6 Ų57.636%0.35527%0.266SS..Hα-helixtrans-66.3-39.1-178.1-173.2177.2-151.900112.6S166 V170 A171 R172 T298S166-E168 PolarHBondContact O-N 2.92Å; S166-E168 PolarHBondContact OG-N 2.96Å; E168-V170 VanDerWaalsContact C-N 3.32Å; E168-V170 PolarHBondContact O-N 3.46Å; E168-A171 PolarHBondContact O-N 3.39Å; E168-R172 HydrophobicContact CG-CG 4.4Å; E168-R172 VanDerWaalsContact CG-CZ 3.45Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 2.86Å; E168-R172 IonicContact OE1-CZ 2.66Å; E168-R172 IonicContact OE1-NE 2.82Å; E168-R172 IonicContact OE1-NH1 3.21Å; E168-R172 IonicContact OE1-NH2 2.78Å; E168-R172 PolarHBondContact OE1-NH2 3.1Å; E168-R172 IonicContact OE2-CZ 3.65Å; E168-R172 IonicContact OE2-NH1 3.75Å; E168-R172 PolarHBondContact OE2-NH1 3.21Å; E168-R172 IonicContact OE2-NH2 2.75Å; E168-R172 PolarHBondContact OE2-NH2 3.5Å; E168-T298 HydrophobicContact CB-CG2 4.15Å; E168-T298 HydrophobicContact CG-CG2 3.78Å
169E95.6Very high96.9Very high43 Ų4351.7 Ų51.720%0.20124%0.24CC..Hα-helixtrans-62-41174.859.2164.9-121.600112R162 V164 E165 S166 R172 E173R162-E169 IonicContact CZ-OE1 2.84Å; R162-E169 IonicContact NE-OE1 3.14Å; R162-E169 PolarHBondContact NE-OE1 2.92Å; R162-E169 IonicContact NH2-OE1 3.56Å; R162-E169 PolarHBondContact NH2-OE1 3.04Å; V164-E169 HydrophobicContact CG1-CG 4.27Å; E165-E169 PolarHBondContact N-OE2 3.1Å; S166-E169 WeakPolarHBondContact O-CG 3.36Å; S166-E169 PolarHBondContact OG-N 3.16Å; S166-E169 VanDerWaalsContact OG-N 3.15Å; E169-R172 PolarHBondContact O-N 2.8Å; E169-E173 WeakPolarHBondContact O-CG 3.5Å; E169-E173 PolarHBondContact O-N 3.01Å
170V96.7Very high96.9Very high1 Ų149.1 Ų49.11%0.00623%0.229CC..Hα-helixtrans-69.7-39179.8-177.30000110.7V4 I6 V164 F167 E168 E173 A175 I178V4-V170 HydrophobicContact CB-CG1 3.7Å; V4-V170 HydrophobicContact CG1-CG1 3.7Å; V4-V170 HydrophobicContact CG2-CG1 3.85Å; I6-V170 HydrophobicContact CD1-CG2 4.31Å; V164-V170 HydrophobicContact CG1-CG2 3.52Å; V164-V170 HydrophobicContact CG2-CG2 4.14Å; F167-V170 PolarHBondContact O-N 3.16Å; E168-V170 VanDerWaalsContact C-N 3.32Å; E168-V170 PolarHBondContact O-N 3.46Å; V170-E173 PolarHBondContact O-N 3.15Å; V170-A175 HydrophobicContact CG1-CB 3.78Å; V170-A175 WeakPolarHBondContact O-CB 3.5Å; V170-A175 PolarHBondContact O-N 3.09Å; V170-I178 HydrophobicContact CB-CD1 3.79Å; V170-I178 HydrophobicContact CB-CG1 4.36Å; V170-I178 HydrophobicContact CG1-CD1 3.79Å; V170-I178 HydrophobicContact CG1-CG1 3.79Å
171A95.8Very high96.9Very high4 Ų445.9 Ų45.93%0.03322%0.216CC..Hα-helixtrans-62.6-44.4173.700000112.1F167 E168 E173 G174 L296 T298 T303F167-A171 WeakPolarHBondContact O-CB 3.24Å; F167-A171 PolarHBondContact O-N 3.11Å; E168-A171 PolarHBondContact O-N 3.39Å; A171-E173 PolarHBondContact O-N 2.82Å; A171-G174 WeakPolarHBondContact O-CA 3.3Å; A171-G174 PolarHBondContact O-N 2.71Å; A171-L296 HydrophobicContact CB-CD2 4.46Å; A171-T298 HydrophobicContact CB-CG2 3.96Å; A171-T303 HydrophobicContact CB-CG2 4.08Å; A171-T303 VanDerWaalsContact CB-OG1 3.27Å; A171-T303 WeakPolarHBondContact CB-OG1 3.39Å
172R94.2Very high96.9Very high172 Ų17240.4 Ų40.465%0.64919%0.192SC*.Hα-helixtrans-64.5-26.2178.6-75176.6-176.4142.9-5.6113.3E168 E169 G174E168-R172 HydrophobicContact CG-CG 4.4Å; E168-R172 VanDerWaalsContact CG-CZ 3.45Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 2.86Å; E168-R172 IonicContact OE1-CZ 2.66Å; E168-R172 IonicContact OE1-NE 2.82Å; E168-R172 IonicContact OE1-NH1 3.21Å; E168-R172 IonicContact OE1-NH2 2.78Å; E168-R172 PolarHBondContact OE1-NH2 3.1Å; E168-R172 IonicContact OE2-CZ 3.65Å; E168-R172 IonicContact OE2-NH1 3.75Å; E168-R172 PolarHBondContact OE2-NH1 3.21Å; E168-R172 IonicContact OE2-NH2 2.75Å; E168-R172 PolarHBondContact OE2-NH2 3.5Å; E169-R172 PolarHBondContact O-N 2.8Å; R172-G174 PolarHBondContact O-N 3.02Å
173E94Very high97Very high95 Ų9538.6 Ų38.644%0.44419%0.192SC..THydrogen-bonded Turntrans-74.1-4.1170.7-71.3174.6-17000113.5Y35 R162 E169 V170 A171Y35-E173 PolarHBondContact OH-OE2 3.12Å; R162-E173 IonicContact CZ-OE1 3.21Å; R162-E173 IonicContact CZ-OE2 2.71Å; R162-E173 IonicContact NH1-OE1 3.54Å; R162-E173 PolarHBondContact NH1-OE1 3.35Å; R162-E173 IonicContact NH1-OE2 2.86Å; R162-E173 PolarHBondContact NH1-OE2 3.2Å; R162-E173 IonicContact NH2-OE1 3.99Å; R162-E173 PolarHBondContact NH2-OE1 2.8Å; R162-E173 IonicContact NH2-OE2 3.93Å; E169-E173 WeakPolarHBondContact O-CG 3.5Å; E169-E173 PolarHBondContact O-N 3.01Å; V170-E173 PolarHBondContact O-N 3.15Å; A171-E173 PolarHBondContact O-N 2.82Å
174G94.1Very high97Very high15 Ų1532.9 Ų32.916%0.15517%0.167CC..THydrogen-bonded Turntrans93.222175.600000114R2 A171 R172 D176R2-G174 PolarHBondContact NE-O 2.88Å; R2-G174 PolarHBondContact NH1-O 3.19Å; R2-G174 PolarHBondContact NH2-O 3.42Å; A171-G174 WeakPolarHBondContact O-CA 3.3Å; A171-G174 PolarHBondContact O-N 2.71Å; R172-G174 PolarHBondContact O-N 3.02Å; G174-D176 PolarHBondContact O-N 2.92Å
175A95.9Very high97Very high6 Ų637.7 Ų37.75%0.0518%0.184CC..  trans-59.6123.9167.600000109.7V4 V170 I178 T303V4-A175 HydrophobicContact CB-CB 4.31Å; V4-A175 HydrophobicContact CG2-CB 3.81Å; V170-A175 HydrophobicContact CG1-CB 3.78Å; V170-A175 WeakPolarHBondContact O-CB 3.5Å; V170-A175 PolarHBondContact O-N 3.09Å; A175-I178 HydrophobicContact CB-CG1 3.92Å; A175-T303 WeakPolarHBondContact O-CG2 3.5Å
176D95.2Very high97Very high47 Ų4732.4 Ų32.425%0.25116%0.159SC..SBendtrans-82.4-28.3174.4-59.6-50.4000111.1M1 R2 G174 E304 K337M1-D176 VanDerWaalsContact CA-OD2 3.25Å; M1-D176 WeakPolarHBondContact CA-OD2 3.46Å; M1-D176 HydrophobicContact CG-CB 4.2Å; M1-D176 HydrophobicContact SD-CB 3.19Å; M1-D176 WeakPolarHBondContact SD-CB 3.41Å; R2-D176 PolarHBondContact N-OD2 3.3Å; R2-D176 IonicContact NE-OD2 3.68Å; R2-D176 IonicContact NH2-OD1 3.2Å; R2-D176 PolarHBondContact O-N 3.02Å; G174-D176 PolarHBondContact O-N 2.92Å; D176-E304 PolarHBondContact O-N 3.18Å; D176-K337 PolarHBondContact O-NZ 3.29Å; D176-K337 VanDerWaalsContact O-NZ 3.11Å
177V97.9Very high97Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-140.7132.8175.2-1740000109.2M1 R2 V3 V4 V179 E304 I306 F330 I333M1-V177 HydrophobicContact CG-CG2 4.22Å; M1-V177 HydrophobicContact SD-CG2 4.1Å; R2-V177 PolarHBondContact O-N 3.1Å; V3-V177 WeakPolarHBondContact CA-O 3.46Å; V3-V177 HydrophobicContact CG1-CB 4.47Å; V3-V177 HydrophobicContact CG2-CB 4.45Å; V4-V177 PolarHBondContact N-O 2.83Å; V177-V179 HydrophobicContact CG1-CG2 4.49Å; V177-E304 CarbonylContact C-O 3.5Å; V177-E304 VanDerWaalsContact CA-O 3.27Å; V177-E304 WeakPolarHBondContact CA-O 3.33Å; V177-E304 HydrophobicContact CG1-CB 4.38Å; V177-E304 HydrophobicContact CG2-CB 4.23Å; V177-I306 HydrophobicContact CG1-CD1 4.17Å; V177-I306 HydrophobicContact CG1-CG1 4.32Å; V177-F330 HydrophobicContact CB-CD2 4.47Å; V177-F330 HydrophobicContact CB-CE2 4.23Å; V177-F330 HydrophobicContact CG1-CD2 4.17Å; V177-F330 HydrophobicContact CG1-CE2 4.42Å; V177-F330 HydrophobicContact CG2-CD2 4.19Å; V177-F330 HydrophobicContact CG2-CE2 3.86Å; V177-I333 HydrophobicContact CG1-CD1 4.45Å; V177-I333 HydrophobicContact CG2-CG2 4.14Å
178I98.5Very high97Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-108.9130170.7-60170.8000107.9V4 I6 F167 V170 A175 T303 E304 V305 I306V4-I178 CarbonylContact O-C 3.59Å; V4-I178 WeakPolarHBondContact O-CA 3.43Å; I6-I178 HydrophobicContact CD1-CG2 3.51Å; I6-I178 HydrophobicContact CG1-CG2 4.01Å; F167-I178 HydrophobicContact CB-CD1 4.15Å; F167-I178 HydrophobicContact CD1-CD1 4.37Å; F167-I178 HydrophobicContact CD1-CG2 4.03Å; F167-I178 HydrophobicContact CE1-CG2 4.31Å; F167-I178 WeakPolarHBondContact O-CD1 3.47Å; V170-I178 HydrophobicContact CB-CD1 3.79Å; V170-I178 HydrophobicContact CB-CG1 4.36Å; V170-I178 HydrophobicContact CG1-CD1 3.79Å; V170-I178 HydrophobicContact CG1-CG1 3.79Å; A175-I178 HydrophobicContact CB-CG1 3.92Å; I178-T303 HydrophobicContact CD1-CG2 3.8Å; I178-T303 HydrophobicContact CG1-CG2 3.92Å; I178-E304 PolarHBondContact N-O 2.87Å; I178-V305 HydrophobicContact CB-CG2 4.38Å; I178-V305 CarbonylContact O-C 3.51Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.47Å; I178-I306 PolarHBondContact O-N 3.09Å
179V98.9Very high97.2Very high0 Ų033.7 Ų33.70%019%0.186CC..EExtended strand (participates in β ladder)trans-106.9109172-170.30000108V3 V4 V5 I6 T15 I19 V177 C181 I306V3-V179 HydrophobicContact CG1-CG2 3.91Å; V4-V179 PolarHBondContact O-N 3.1Å; V5-V179 WeakPolarHBondContact CA-O 3.13Å; V5-V179 HydrophobicContact CB-CB 4.38Å; V5-V179 HydrophobicContact CG1-CB 4.27Å; V5-V179 HydrophobicContact CG2-CB 4.04Å; V5-V179 HydrophobicContact CG2-CG2 4.15Å; I6-V179 PolarHBondContact N-O 3.15Å; T15-V179 HydrophobicContact CG2-CG1 3.76Å; I19-V179 HydrophobicContact CD1-CG2 3.98Å; V177-V179 HydrophobicContact CG1-CG2 4.49Å; V179-C181 PolarHBondContact O-N 2.9Å; V179-I306 CarbonylContact C-O 3.48Å; V179-I306 WeakPolarHBondContact CA-O 3.32Å; V179-I306 HydrophobicContact CG1-CB 4.47Å
180N98.9Very high97.2Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-88.199.5-176.7174.918.2000111F167 T182 V305 I306 H307 N308F167-N180 HydrophobicContact CE1-CB 3.93Å; F167-N180 HydrophobicContact CZ-CB 4.05Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.05Å; N180-T182 WeakPolarHBondContact OD1-CB 3.32Å; N180-T182 WeakPolarHBondContact OD1-CG2 2.99Å; N180-T182 PolarHBondContact OD1-N 3.21Å; N180-T182 PolarHBondContact OD1-OG1 2.88Å; N180-V305 HydrophobicContact CB-CG1 4.33Å; N180-I306 PolarHBondContact N-O 3.01Å; N180-H307 PolarHBondContact ND2-ND1 2.84Å; N180-N308 CarbonylContact O-C 3.53Å; N180-N308 PolarHBondContact O-N 2.79Å
181C98.9Very high97.2Very high9 Ų944.4 Ų44.46%0.06123%0.226CC..  trans-116.136.2178.5-58.30000112.2I6 I11 G12 V179 G183 N308I6-C181 CarbonylContact O-C 3.52Å; I6-C181 VanDerWaalsContact O-CA 3.23Å; I6-C181 WeakPolarHBondContact O-CA 3.37Å; I6-C181 WeakPolarHBondContact O-CB 3.29Å; I6-C181 PolarHBondContact O-N 3.49Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.15Å; G12-C181 VanDerWaalsContact CA-CB 3.48Å; V179-C181 PolarHBondContact O-N 2.9Å; C181-G183 PolarHBondContact O-N 2.62Å; C181-G183 VanDerWaalsContact O-N 3.14Å; C181-N308 WeakPolarHBondContact CA-O 3.47Å
182T98.8Very high97.4Very high25 Ų2545 Ų4515%0.15323%0.229CC..  trans-78.39.7-171.450.30000115.3I6 N180 V184 W185 A186 L189I6-T182 HydrophobicContact CB-CG2 4.07Å; I6-T182 HydrophobicContact CG2-CG2 3.48Å; I6-T182 VanDerWaalsContact CG2-CG2 3.48Å; I6-T182 PolarHBondContact O-N 3.48Å; N180-T182 WeakPolarHBondContact OD1-CB 3.32Å; N180-T182 WeakPolarHBondContact OD1-CG2 2.99Å; N180-T182 PolarHBondContact OD1-N 3.21Å; N180-T182 PolarHBondContact OD1-OG1 2.88Å; T182-V184 PolarHBondContact O-N 3.35Å; T182-W185 PolarHBondContact O-N 2.83Å; T182-A186 WeakPolarHBondContact OG1-CA 3.4Å; T182-A186 VanDerWaalsContact OG1-CB 3.23Å; T182-A186 WeakPolarHBondContact OG1-CB 3.39Å; T182-A186 PolarHBondContact OG1-N 2.87Å; T182-L189 HydrophobicContact CG2-CD1 3.84Å
183G98.7Very high97.5Very high21 Ų2141.5 Ų41.522%0.21623%0.228CC..G310 helixtrans57.6-125.9174.500000112.1C181 W185C181-G183 PolarHBondContact O-N 2.62Å; C181-G183 VanDerWaalsContact O-N 3.14Å; G183-W185 VanDerWaalsContact C-N 3.26Å; G183-W185 PolarHBondContact O-N 3.46Å
184V98.6Very high97.7Very high5 Ų541.1 Ų41.13%0.0323%0.229CC..G310 helixtrans-76.1-17.4-173.673.30000112.2T182 L195 P197 W247 F282 P284T182-V184 PolarHBondContact O-N 3.35Å; V184-L195 WeakPolarHBondContact O-CD2 3.29Å; V184-P197 HydrophobicContact CG2-CB 4.03Å; V184-W247 HydrophobicContact CG1-CH2 4.31Å; V184-W247 HydrophobicContact CG1-CZ3 4.16Å; V184-W247 HydrophobicContact CG2-CH2 3.76Å; V184-W247 HydrophobicContact CG2-CZ2 4.5Å; V184-W247 HydrophobicContact CG2-CZ3 4.2Å; V184-F282 HydrophobicContact CB-CB 4.46Å; V184-F282 HydrophobicContact CG1-CB 3.92Å; V184-F282 HydrophobicContact CG2-CB 4.41Å; V184-P284 HydrophobicContact CB-CB 4.03Å
185W98.6Very high97.9Very high117 Ų11741.3 Ų41.344%0.44323%0.226SC..G310 helixtrans-947.9-177-60.1-79.4000113.6T182 G183 G187 A188 W247 F282T182-W185 PolarHBondContact O-N 2.83Å; G183-W185 VanDerWaalsContact C-N 3.26Å; G183-W185 PolarHBondContact O-N 3.46Å; W185-G187 PolarHBondContact O-N 3.45Å; W185-G187 VanDerWaalsContact O-N 3.09Å; W185-A188 VanDerWaalsContact O-CB 3.3Å; W185-A188 WeakPolarHBondContact O-CB 3.28Å; W185-A188 PolarHBondContact O-N 3.12Å; W185-W247 AromaticContact NE1-CZ3 3.86Å; W185-F282 HydrophobicContact CZ2-CD2 4.18Å
186A98.5Very high98Very high0 Ų045.3 Ų45.30%024%0.244CC..G310 helixtrans-55.7-31.2179.700000113.5T182 A188 L189 Q190 L195 Y309T182-A186 WeakPolarHBondContact OG1-CA 3.4Å; T182-A186 VanDerWaalsContact OG1-CB 3.23Å; T182-A186 WeakPolarHBondContact OG1-CB 3.39Å; T182-A186 PolarHBondContact OG1-N 2.87Å; A186-A188 PolarHBondContact O-N 3.13Å; A186-A188 VanDerWaalsContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 2.98Å; A186-L189 VanDerWaalsContact O-N 3.07Å; A186-Q190 PolarHBondContact O-N 2.82Å; A186-L195 HydrophobicContact CB-CD2 3.84Å; A186-Y309 HydrophobicContact CB-CD1 3.76Å; A186-Y309 HydrophobicContact CB-CD2 3.63Å; A186-Y309 HydrophobicContact CB-CE1 3.71Å; A186-Y309 HydrophobicContact CB-CE2 3.61Å; A186-Y309 HydrophobicContact CB-CG 3.71Å
187G97.3Very high98.2Very high35 Ų3543.2 Ų43.236%0.36123%0.233SC..G310 helixtrans-55.5-22.9174.300000114.9W185 Q190W185-G187 PolarHBondContact O-N 3.45Å; W185-G187 VanDerWaalsContact O-N 3.09Å; G187-Q190 VanDerWaalsContact CA-O 3.29Å; G187-Q190 WeakPolarHBondContact CA-O 3.27Å; G187-Q190 CarbonylContact O-C 3.53Å
188A97.4Very high98.2Very high84 Ų8443.2 Ų43.269%0.69423%0.233SC*.G310 helixtrans-75-3017800000113.1W185 A186W185-A188 VanDerWaalsContact O-CB 3.3Å; W185-A188 WeakPolarHBondContact O-CB 3.28Å; W185-A188 PolarHBondContact O-N 3.12Å; A186-A188 PolarHBondContact O-N 3.13Å; A186-A188 VanDerWaalsContact O-N 3.09Å
189L97.8Very high98.2Very high29 Ų2943.2 Ų43.215%0.15223%0.233CC..THydrogen-bonded Turntrans-89.2-33.8176.8-61.8-178.1000111.9I6 V164 F167 T182 A186I6-L189 HydrophobicContact CD1-CD1 4.1Å; I6-L189 HydrophobicContact CG2-CD1 4.44Å; V164-L189 HydrophobicContact CB-CD2 4.31Å; V164-L189 HydrophobicContact CG1-CD2 3.88Å; V164-L189 WeakPolarHBondContact O-CD2 3.19Å; F167-L189 HydrophobicContact CD1-CD1 4.16Å; F167-L189 HydrophobicContact CD2-CB 4.44Å; F167-L189 HydrophobicContact CE1-CB 3.94Å; F167-L189 HydrophobicContact CE1-CD1 3.49Å; F167-L189 VanDerWaalsContact CE1-CD1 3.49Å; F167-L189 HydrophobicContact CE1-CG 4.33Å; F167-L189 HydrophobicContact CE2-CB 3.86Å; F167-L189 HydrophobicContact CZ-CB 3.55Å; F167-L189 HydrophobicContact CZ-CD1 3.89Å; F167-L189 HydrophobicContact CZ-CG 4.38Å; T182-L189 HydrophobicContact CG2-CD1 3.84Å; A186-L189 PolarHBondContact O-N 2.98Å; A186-L189 VanDerWaalsContact O-N 3.07Å
190Q96.9Very high98.2Very high48 Ų4843.4 Ų43.422%0.22424%0.235CC..SBendtrans-155124.7175.4177.1174.4-31.500109.3F167 A186 G187 D192 E294F167-Q190 HydrophobicContact CE2-CB 3.84Å; A186-Q190 PolarHBondContact O-N 2.82Å; G187-Q190 VanDerWaalsContact CA-O 3.29Å; G187-Q190 WeakPolarHBondContact CA-O 3.27Å; G187-Q190 CarbonylContact O-C 3.53Å; Q190-D192 PolarHBondContact O-N 3.45Å; Q190-E294 PolarHBondContact NE2-OE1 3.16Å; Q190-E294 PolarHBondContact NE2-OE2 2.91Å; Q190-E294 PolarHBondContact OE1-OE2 3.2Å
191R97.1Very high98.2Very high221 Ų22143.4 Ų43.483%0.83424%0.235SC*.  trans-55.7120.5-175.7-175.3-179.4-179.9-178.10.2111.2
192D98.3Very high98.2Very high17 Ų1743.3 Ų43.39%0.09123%0.234CC..  trans-131.494.2174-173.1-10000109.3Q190 L194 L195 R286 Y309Q190-D192 PolarHBondContact O-N 3.45Å; D192-L194 PolarHBondContact O-N 2.89Å; D192-L194 WeakPolarHBondContact OD1-CB 3.34Å; D192-L194 PolarHBondContact OD1-N 2.87Å; D192-L194 VanDerWaalsContact OD1-N 3.16Å; D192-L195 HydrophobicContact CB-CB 4.36Å; D192-L195 PolarHBondContact O-N 3.17Å; D192-R286 IonicContact OD1-NE 2.79Å; D192-R286 IonicContact OD1-NH2 3.74Å; D192-R286 IonicContact OD2-CZ 3.29Å; D192-R286 IonicContact OD2-NE 3.53Å; D192-R286 PolarHBondContact OD2-NE 2.97Å; D192-R286 IonicContact OD2-NH2 3.95Å; D192-R286 PolarHBondContact OD2-NH2 3.24Å; D192-Y309 VanDerWaalsContact OD2-CE2 3.27Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.15Å; D192-Y309 PolarHBondContact OD2-OH 3.42Å
193P97.7Very high98.1Very high97 Ų9742.1 Ų42.163%0.6323%0.226SC*.THydrogen-bonded Turntrans-70.6-10.9-176.730.4-35.6000113.5L195P193-L195 VanDerWaalsContact C-N 3.28Å
194L98.2Very high98.1Very high88 Ų8843.2 Ų43.246%0.46123%0.225SC..THydrogen-bonded Turntrans-78.9-17176.1-58179.1000112D192 R286 P287D192-L194 PolarHBondContact O-N 2.89Å; D192-L194 WeakPolarHBondContact OD1-CB 3.34Å; D192-L194 PolarHBondContact OD1-N 2.87Å; D192-L194 VanDerWaalsContact OD1-N 3.16Å; L194-R286 HydrophobicContact CB-CG 3.97Å; L194-P287 WeakPolarHBondContact O-CD 3.38Å
195L98.6Very high98.1Very high19 Ų1943 Ų4310%0.09922%0.224CC..  trans-89127.8-179.6-176.167.8000110.9V184 A186 D192 P193 P284 V285 R286 Y309V184-L195 WeakPolarHBondContact O-CD2 3.29Å; A186-L195 HydrophobicContact CB-CD2 3.84Å; D192-L195 HydrophobicContact CB-CB 4.36Å; D192-L195 PolarHBondContact O-N 3.17Å; P193-L195 VanDerWaalsContact C-N 3.28Å; L195-P284 HydrophobicContact CD1-CB 4.02Å; L195-V285 CarbonylContact C-O 3.49Å; L195-V285 WeakPolarHBondContact CA-O 3.46Å; L195-R286 HydrophobicContact CD1-CB 4.3Å; L195-Y309 HydrophobicContact CD1-CD2 4.3Å; L195-Y309 HydrophobicContact CD2-CD2 3.99Å; L195-Y309 HydrophobicContact CD2-CE2 3.94Å
196Q98.2Very high98.1Very high90 Ų9040.1 Ų40.142%0.42122%0.217SC..EExtended strand (participates in β ladder)trans-137.6153.8-180-64.5-176.955.400111G198 V285Q196-G198 PolarHBondContact O-N 2.83Å; Q196-V285 PolarHBondContact N-O 3.08Å; Q196-V285 WeakPolarHBondContact O-CB 3.32Å; Q196-V285 PolarHBondContact O-N 3.45Å
197P98.4Very high98.1Very high2 Ų240.2 Ų40.21%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-73.6128.8170.934-37.1000109.9V184 L244 G245 W247 F282V184-P197 HydrophobicContact CG2-CB 4.03Å; P197-L244 CarbonylContact O-C 3.59Å; P197-L244 WeakPolarHBondContact O-CA 3.34Å; P197-G245 PolarHBondContact O-N 2.76Å; P197-W247 HydrophobicContact CB-CD2 4.09Å; P197-W247 HydrophobicContact CB-CE3 4.17Å; P197-W247 HydrophobicContact CB-CH2 4.37Å; P197-W247 HydrophobicContact CB-CZ2 4.28Å; P197-W247 HydrophobicContact CB-CZ3 4.3Å; P197-W247 HydrophobicContact CG-CD2 3.63Å; P197-W247 VanDerWaalsContact CG-CE2 3.42Å; P197-W247 HydrophobicContact CG-CE3 4.22Å; P197-W247 HydrophobicContact CG-CG 3.9Å; P197-W247 HydrophobicContact CG-CH2 4.45Å; P197-W247 HydrophobicContact CG-CZ2 3.89Å; P197-F282 HydrophobicContact CB-CB 4.23Å; P197-F282 HydrophobicContact CB-CD1 3.83Å; P197-F282 HydrophobicContact CB-CG 4.32Å
198G98.3Very high98.1Very high0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-96.586.7159.500000108.6Q196 G200 R283Q196-G198 PolarHBondContact O-N 2.83Å; G198-G200 PolarHBondContact O-N 3.09Å; G198-R283 PolarHBondContact N-O 3.5Å; G198-R283 WeakPolarHBondContact O-CB 3.33Å; G198-R283 WeakPolarHBondContact O-CG 3.34Å; G198-R283 PolarHBondContact O-N 3.17Å
199R98.5Very high98.2Very high0 Ų043.9 Ų43.90%021%0.213CC..EExtended strand (participates in β ladder)trans-63.6127-178.8-177.4-177.6172.8-76.3-8.4110Q201 F242 Q243 N246 S248 L250 N252 D255 T280 G281 F282R199-Q201 VanDerWaalsContact NH2-OE1 3.08Å; R199-F242 CarbonylContact O-C 3.38Å; R199-F242 WeakPolarHBondContact O-CA 3.29Å; R199-Q243 HydrophobicContact CB-CB 4.29Å; R199-Q243 PolarHBondContact N-O 2.82Å; R199-Q243 PolarHBondContact O-N 3.09Å; R199-N246 HydrophobicContact CB-CB 4.07Å; R199-N246 WeakPolarHBondContact CB-O 3.49Å; R199-N246 VanDerWaalsContact CD-CG 3.42Å; R199-N246 WeakPolarHBondContact CD-ND2 3.42Å; R199-S248 WeakPolarHBondContact CD-O 3.18Å; R199-S248 PolarHBondContact NE-O 3Å; R199-L250 PolarHBondContact NH2-O 3.17Å; R199-N252 PolarHBondContact NH2-ND2 2.89Å; R199-N252 VanDerWaalsContact NH2-ND2 3.19Å; R199-D255 IonicContact CZ-OD2 3.6Å; R199-D255 IonicContact NH1-OD2 2.63Å; R199-D255 PolarHBondContact NH1-OD2 3.14Å; R199-D255 IonicContact NH2-OD2 3.72Å; R199-T280 HydrophobicContact CG-CG2 3.72Å; R199-T280 PolarHBondContact NH2-OG1 2.85Å; R199-G281 WeakPolarHBondContact CA-O 3.45Å; R199-F282 HydrophobicContact CB-CD1 4.04Å; R199-F282 HydrophobicContact CB-CE1 4.06Å; R199-F282 HydrophobicContact CG-CD1 4.28Å; R199-F282 HydrophobicContact CG-CE1 3.93Å
200G98.5Very high98.2Very high4 Ų443.3 Ų43.34%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-127.1128.7172.500000110.7G198 I241 T280 G281G198-G200 PolarHBondContact O-N 3.09Å; G200-I241 WeakPolarHBondContact CA-O 3.39Å; G200-T280 CarbonylContact O-C 3.54Å; G200-T280 VanDerWaalsContact O-CA 3.31Å; G200-T280 WeakPolarHBondContact O-CA 3.43Å; G200-G281 PolarHBondContact N-O 2.69Å; G200-G281 PolarHBondContact O-N 2.76Å
201Q98.7Very high98.2Very high0 Ų047.8 Ų47.80%023%0.229CC..EExtended strand (participates in β ladder)trans-98.8139.7166.2-171.5168.4-41.400108.4R199 N251 N252 D255 I259 E278 R279R199-Q201 VanDerWaalsContact NH2-OE1 3.08Å; Q201-N251 VanDerWaalsContact OE1-CA 3.31Å; Q201-N252 PolarHBondContact NE2-O 3.41Å; Q201-D255 HydrophobicContact CB-CB 4.26Å; Q201-I259 HydrophobicContact CB-CD1 4.13Å; Q201-I259 HydrophobicContact CG-CD1 4.27Å; Q201-I259 WeakPolarHBondContact O-CD1 3.44Å; Q201-E278 PolarHBondContact NE2-OE2 2.92Å; Q201-R279 WeakPolarHBondContact CA-O 3.31Å
202I98.5Very high98.3Very high8 Ų840.7 Ų40.74%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-132.7154.9175.958.9155000110.7V47 Y228 T237 L238 E278 R279V47-I202 HydrophobicContact CG1-CD1 3.91Å; V47-I202 HydrophobicContact CG1-CG1 3.91Å; V47-I202 WeakPolarHBondContact O-CD1 3.35Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.32Å; I202-T237 HydrophobicContact CB-CG2 3.95Å; I202-T237 HydrophobicContact CD1-CG2 3.75Å; I202-T237 HydrophobicContact CG1-CG2 4.48Å; I202-T237 HydrophobicContact CG2-CG2 4.03Å; I202-L238 WeakPolarHBondContact CA-O 3.37Å; I202-L238 WeakPolarHBondContact CB-O 3.48Å; I202-E278 WeakPolarHBondContact O-CA 3.25Å; I202-R279 HydrophobicContact CG1-CB 4.28Å; I202-R279 PolarHBondContact N-O 3.39Å; I202-R279 PolarHBondContact O-N 3.41Å
203M98.3Very high98.3Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-113.6136.1168.9-46.1178.567.100109T237 L238 H256 I259 W260 I275 E278M203-T237 WeakPolarHBondContact O-CA 3.49Å; M203-L238 HydrophobicContact CB-CB 4.22Å; M203-L238 PolarHBondContact N-O 3.42Å; M203-L238 PolarHBondContact O-N 3.27Å; M203-H256 VanDerWaalsContact CE-CE1 3.4Å; M203-H256 WeakPolarHBondContact CE-CE1 3.16Å; M203-I259 HydrophobicContact CG-CB 4.47Å; M203-I259 HydrophobicContact CG-CG2 3.9Å; M203-I259 HydrophobicContact SD-CB 4.19Å; M203-I259 HydrophobicContact SD-CG2 3.84Å; M203-W260 HydrophobicContact CE-CB 4.49Å; M203-W260 HydrophobicContact CE-CD2 4.47Å; M203-W260 HydrophobicContact CE-CE3 3.78Å; M203-W260 HydrophobicContact CE-CZ3 4.46Å; M203-W260 HydrophobicContact SD-CB 4.01Å; M203-W260 HydrophobicContact SD-CE3 4.08Å; M203-I275 HydrophobicContact CE-CD1 3.45Å; M203-I275 VanDerWaalsContact CE-CD1 3.45Å; M203-I275 HydrophobicContact CE-CG1 3.88Å; M203-I275 HydrophobicContact CE-CG2 4.18Å; M203-E278 HydrophobicContact CB-CG 4.21Å; M203-E278 HydrophobicContact CE-CG 4.35Å; M203-E278 HydrophobicContact CG-CG 3.91Å
204K98.4Very high98.4Very high44 Ų4435.5 Ų35.519%0.19117%0.171CC..EExtended strand (participates in β ladder)trans-100.7128.9168.4-67.6-66.7-165.4168.10108.2V236 T237 I276 G277K204-V236 WeakPolarHBondContact CA-O 3.42Å; K204-T237 HydrophobicContact CD-CG2 4.39Å; K204-T237 PolarHBondContact NZ-OG1 3.37Å; K204-I276 HydrophobicContact CB-CB 4.39Å; K204-I276 WeakPolarHBondContact O-CB 3.33Å; K204-I276 PolarHBondContact O-N 2.94Å; K204-G277 PolarHBondContact N-O 3.08Å; K204-G277 PolarHBondContact O-N 3.43Å
205V98.6Very high98.4Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-128.7154.2-179-54.80000111.6A207 T235 V236 L238 W260 L270 A273 R274 I275V205-A207 HydrophobicContact CG2-CB 4.1Å; V205-A207 PolarHBondContact O-N 3.15Å; V205-T235 WeakPolarHBondContact O-CA 3.44Å; V205-V236 HydrophobicContact CG2-CB 3.86Å; V205-V236 HydrophobicContact CG2-CG1 4.44Å; V205-V236 PolarHBondContact N-O 2.85Å; V205-V236 PolarHBondContact O-N 3.35Å; V205-L238 HydrophobicContact CG1-CD1 3.65Å; V205-L238 HydrophobicContact CG1-CG 4.12Å; V205-L238 HydrophobicContact CG2-CD1 4.08Å; V205-L238 HydrophobicContact CG2-CD2 4.25Å; V205-L238 HydrophobicContact CG2-CG 4.04Å; V205-W260 HydrophobicContact CG1-CZ3 4.14Å; V205-L270 HydrophobicContact CG2-CD2 4.1Å; V205-A273 HydrophobicContact CB-CB 4.11Å; V205-A273 HydrophobicContact CG2-CB 4.2Å; V205-R274 CarbonylContact C-O 2.99Å; V205-R274 WeakPolarHBondContact CA-O 3.46Å; V205-I275 HydrophobicContact CG1-CG1 4.25Å
206D98.6Very high98.4Very high56 Ų5630.7 Ų30.730%0.29915%0.147SC..EExtended strand (participates in β ladder)trans-90.594.4173.2-168.73.2000108.9R274 I276D206-R274 HydrophobicContact CB-CB 4.21Å; D206-R274 PolarHBondContact N-O 2.94Å; D206-R274 IonicContact OD2-CZ 3.79Å; D206-R274 IonicContact OD2-NE 3.7Å; D206-R274 IonicContact OD2-NH2 2.96Å; D206-R274 PolarHBondContact OD2-NH2 3.19Å; D206-I276 HydrophobicContact CB-CD1 3.99Å; D206-I276 HydrophobicContact CB-CG1 4.05Å
207A98.4Very high98.4Very high2 Ų226.8 Ų26.82%0.01713%0.128CC..  trans-140.364.4-17900000110.3V205 W209 M210 V236 L270 A273V205-A207 HydrophobicContact CG2-CB 4.1Å; V205-A207 PolarHBondContact O-N 3.15Å; A207-W209 HydrophobicContact CB-CD2 4.38Å; A207-W209 HydrophobicContact CB-CH2 4.02Å; A207-W209 HydrophobicContact CB-CZ2 3.71Å; A207-W209 HydrophobicContact CB-CZ3 4.46Å; A207-W209 PolarHBondContact O-N 3.18Å; A207-M210 HydrophobicContact CB-CG 4.02Å; A207-M210 WeakPolarHBondContact O-CB 3.41Å; A207-M210 PolarHBondContact O-N 3.13Å; A207-V236 HydrophobicContact CB-CB 4.44Å; A207-V236 HydrophobicContact CB-CG2 3.94Å; A207-V236 WeakPolarHBondContact O-CG2 3.34Å; A207-L270 HydrophobicContact CB-CD2 3.9Å; A207-A273 HydrophobicContact CB-CB 3.94Å
208P97.6Very high98.1Very high80 Ų8028 Ų2852%0.51914%0.135SC..THydrogen-bonded Turntrans-64.9-13.3-170.926.8-36.4000113.9M210 K211P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.27Å; P208-K211 WeakPolarHBondContact O-CE 3.14Å; P208-K211 PolarHBondContact O-NZ 3.13Å
209W98Very high97.6Very high117 Ų11732.4 Ų32.444%0.44316%0.163SC..THydrogen-bonded Turntrans-72.6-17.1173.658.387.7000113.3A207 K211 T269 A273A207-W209 HydrophobicContact CB-CD2 4.38Å; A207-W209 HydrophobicContact CB-CH2 4.02Å; A207-W209 HydrophobicContact CB-CZ2 3.71Å; A207-W209 HydrophobicContact CB-CZ3 4.46Å; A207-W209 PolarHBondContact O-N 3.18Å; W209-K211 PolarHBondContact O-N 2.7Å; W209-T269 PolarHBondContact NE1-OG1 2.87Å; W209-A273 HydrophobicContact CH2-CB 4.16Å; W209-A273 HydrophobicContact CZ2-CB 4.22Å
210M98Very high97.2Very high16 Ų1641.4 Ų41.48%0.07921%0.205CC..  trans-76.7112.1177-61.5-53.1-62.200110.7A207 P208 I214 I229 P231 V236 E267A207-M210 HydrophobicContact CB-CG 4.02Å; A207-M210 WeakPolarHBondContact O-CB 3.41Å; A207-M210 PolarHBondContact O-N 3.13Å; P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.27Å; M210-I214 HydrophobicContact CE-CD1 3.93Å; M210-I229 HydrophobicContact CE-CG2 4.27Å; M210-P231 HydrophobicContact CB-CG 4.05Å; M210-P231 WeakPolarHBondContact O-CB 3.3Å; M210-P231 WeakPolarHBondContact O-CG 3.36Å; M210-V236 HydrophobicContact CB-CG2 3.9Å; M210-V236 HydrophobicContact CG-CG2 4.31Å; M210-E267 HydrophobicContact CE-CB 4.49Å; M210-E267 HydrophobicContact CE-CG 3.65Å; M210-E267 HydrophobicContact SD-CG 3.68Å
211K97.9Very high96.9Very high143 Ų14349.4 Ų49.462%0.62223%0.234SC*.  trans-114.8-5.4-177.3-57.4-52.4-173.3-168.30114.6P208 W209P208-K211 WeakPolarHBondContact O-CE 3.14Å; P208-K211 PolarHBondContact O-NZ 3.13Å; W209-K211 PolarHBondContact O-N 2.7Å
212H98.7Very high96.6Very high71 Ų7150.9 Ų50.933%0.32925%0.25SC..EExtended strand (participates in β ladder)trans-119.7142.7177.8-62.795.7000110.4S93 Y95 P231S93-H212 CarbonylContact O-C 3.56Å; S93-H212 WeakPolarHBondContact O-CA 3.42Å; S93-H212 WeakPolarHBondContact O-CB 3.43Å; S93-H212 PolarHBondContact O-CD2 3.22Å; Y95-H212 HydrophobicContact CD2-CB 4.11Å; Y95-H212 HydrophobicContact CE2-CB 3.67Å; Y95-H212 AromaticContact CE2-CG 3.77Å; H212-P231 WeakPolarHBondContact O-CD 3.45Å; H212-P231 WeakPolarHBondContact O-CG 3.5Å
213F98.9Very high96.3Very high0 Ų052.7 Ų52.70%026%0.259CS..EExtended strand (participates in β ladder)trans-72.7147.6163.369.9-99.7000109.4L51 I92 S93 G94 Y95 H134 L215 I229 I230L51-F213 HydrophobicContact CD1-CD1 3.84Å; L51-F213 HydrophobicContact CD1-CE1 4.24Å; L51-F213 HydrophobicContact CD1-CG 4.21Å; L51-F213 HydrophobicContact CD2-CB 4.48Å; L51-F213 HydrophobicContact CD2-CD1 4.49Å; L51-F213 HydrophobicContact CD2-CD2 4.15Å; L51-F213 HydrophobicContact CD2-CG 4.12Å; I92-F213 HydrophobicContact CD1-CB 4.4Å; I92-F213 HydrophobicContact CG1-CD1 4.2Å; I92-F213 HydrophobicContact CG2-CD1 3.86Å; I92-F213 HydrophobicContact CG2-CE1 4.39Å; S93-F213 VanDerWaalsContact C-CE1 3.4Å; S93-F213 WeakPolarHBondContact O-CD1 3.32Å; S93-F213 PolarHBondContact O-N 2.58Å; S93-F213 VanDerWaalsContact O-N 3.08Å; G94-F213 CarbonylContact C-O 3.56Å; G94-F213 VanDerWaalsContact CA-CE1 3.41Å; G94-F213 WeakPolarHBondContact CA-O 3.47Å; G94-F213 WeakPolarHBondContact O-CZ 3.14Å; Y95-F213 VanDerWaalsContact N-CE2 3.26Å; Y95-F213 PolarHBondContact N-O 2.96Å; H134-F213 AromaticContact CE1-CE1 3.8Å; H134-F213 AromaticContact CE1-CE2 3.95Å; H134-F213 AromaticContact CE1-CZ 3.14Å; H134-F213 WeakPolarHBondContact CE1-CZ 2.97Å; H134-F213 AromaticContact ND1-CE1 3.99Å; H134-F213 AromaticContact ND1-CZ 3.53Å; H134-F213 AromaticContact NE2-CZ 3.6Å; F213-L215 HydrophobicContact CB-CD1 4.12Å; F213-L215 HydrophobicContact CD2-CD1 3.45Å; F213-L215 VanDerWaalsContact CD2-CD1 3.45Å; F213-L215 HydrophobicContact CE2-CD1 4.28Å; F213-L215 HydrophobicContact CG-CD1 4.13Å; F213-I229 CarbonylContact C-O 3.57Å; F213-I229 VanDerWaalsContact CA-O 3.28Å; F213-I229 WeakPolarHBondContact CA-O 3.37Å; F213-I230 HydrophobicContact CB-CG1 4.42Å
214I98.8Very high96.1Very high5 Ų554 Ų543%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-135.5111.9175.1-50.2166.5000106.7Y95 L97 F125 M210 Y228 I229 L266Y95-I214 HydrophobicContact CD2-CG1 4.19Å; L97-I214 HydrophobicContact CD1-CG2 3.61Å; F125-I214 HydrophobicContact CE1-CD1 4.03Å; F125-I214 HydrophobicContact CE1-CG1 4.39Å; F125-I214 HydrophobicContact CE1-CG2 3.99Å; F125-I214 HydrophobicContact CZ-CG2 4.44Å; M210-I214 HydrophobicContact CE-CD1 3.93Å; I214-Y228 CarbonylContact O-C 3.52Å; I214-Y228 WeakPolarHBondContact O-CA 3.48Å; I214-I229 HydrophobicContact CB-CB 4.37Å; I214-I229 HydrophobicContact CD1-CD1 4.33Å; I214-I229 PolarHBondContact N-O 3.29Å; I214-I229 PolarHBondContact O-N 2.81Å; I214-L266 HydrophobicContact CB-CD2 4.32Å; I214-L266 HydrophobicContact CG2-CD1 4.08Å; I214-L266 HydrophobicContact CG2-CD2 3.72Å; I214-L266 HydrophobicContact CG2-CG 4.08Å
215L98.6Very high96.1Very high4 Ų454 Ų542%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-114.4122.4176.7-82.778.4000108.7L51 Y95 N96 L97 F213 Y224 I230L51-L215 HydrophobicContact CD2-CD1 3.53Å; L51-L215 HydrophobicContact CD2-CD2 4.08Å; L51-L215 HydrophobicContact CD2-CG 4.49Å; Y95-L215 PolarHBondContact O-N 3.46Å; N96-L215 CarbonylContact C-O 3.5Å; N96-L215 WeakPolarHBondContact CA-O 3.4Å; L97-L215 PolarHBondContact N-O 3.48Å; F213-L215 HydrophobicContact CB-CD1 4.12Å; F213-L215 HydrophobicContact CD2-CD1 3.45Å; F213-L215 VanDerWaalsContact CD2-CD1 3.45Å; F213-L215 HydrophobicContact CE2-CD1 4.28Å; F213-L215 HydrophobicContact CG-CD1 4.13Å; L215-Y224 HydrophobicContact CD2-CE1 4.19Å; L215-I230 HydrophobicContact CD1-CD1 4.26Å; L215-I230 HydrophobicContact CD1-CG1 4.05Å
216T98.6Very high96.1Very high3 Ų354.5 Ų54.52%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-101.5148.4172.667.20000109.3L97 Y128 S226 P227 L266L97-T216 HydrophobicContact CB-CG2 4.17Å; L97-T216 HydrophobicContact CD1-CG2 4Å; Y128-T216 HydrophobicContact CE1-CG2 3.82Å; Y128-T216 HydrophobicContact CE2-CG2 3.73Å; Y128-T216 WeakPolarHBondContact OH-CB 3.32Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.33Å; Y128-T216 PolarHBondContact OH-OG1 3.07Å; T216-S226 WeakPolarHBondContact O-CB 3.32Å; T216-S226 PolarHBondContact O-OG 3.16Å; T216-S226 PolarHBondContact OG1-OG 3.42Å; T216-P227 PolarHBondContact N-O 2.87Å; T216-P227 VanDerWaalsContact OG1-CD 3.27Å; T216-P227 WeakPolarHBondContact OG1-CD 3.42Å; T216-P227 PolarHBondContact OG1-O 3.05Å; T216-L266 HydrophobicContact CG2-CD1 3.68Å; T216-L266 HydrophobicContact CG2-CD2 3.56Å; T216-L266 HydrophobicContact CG2-CG 4.25Å
217H97.8Very high96Very high8 Ų853 Ų534%0.03726%0.263CS..  trans-129.4136.2-174.9-58.5-82.6000110.3L56 N96 L97 F98L56-H217 HydrophobicContact CD1-CB 4.15Å; N96-H217 PolarHBondContact OD1-NE2 2.98Å; L97-H217 PolarHBondContact O-N 2.74Å; F98-H217 HydrophobicContact CD1-CB 3.63Å; F98-H217 HydrophobicContact CE1-CB 3.42Å; F98-H217 VanDerWaalsContact CE1-CB 3.42Å; F98-H217 AromaticContact CE1-CD2 3.29Å; F98-H217 WeakPolarHBondContact CE1-CD2 3.4Å; F98-H217 AromaticContact CE1-CG 3.45Å; F98-H217 VanDerWaalsContact CE1-CG 3.45Å; F98-H217 HydrophobicContact CZ-CB 4.37Å; F98-H217 AromaticContact CZ-CD2 3.34Å; F98-H217 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H217 AromaticContact CZ-CG 3.97Å; F98-H217 AromaticContact CZ-NE2 3.92Å
218D93.3Very high96.1Very high27 Ų2753.4 Ų53.414%0.14427%0.265CS..  trans-129.795.7173-178-19.6000107.1E220 R221 G222D218-E220 PolarHBondContact O-N 3.16Å; D218-E220 WeakPolarHBondContact OD1-CB 3.32Å; D218-E220 PolarHBondContact OD1-N 2.94Å; D218-E220 VanDerWaalsContact OD1-N 3.1Å; D218-R221 HydrophobicContact CB-CB 4.24Å; D218-R221 HydrophobicContact CB-CG 4.33Å; D218-R221 PolarHBondContact O-N 2.61Å; D218-R221 VanDerWaalsContact O-N 3.12Å; D218-R221 PolarHBondContact OD1-N 3.26Å; D218-R221 WeakPolarHBondContact OD2-CD 3.36Å; D218-R221 VanDerWaalsContact OD2-CG 3.29Å; D218-R221 WeakPolarHBondContact OD2-CG 3.37Å; D218-R221 IonicContact OD2-CZ 3.77Å; D218-R221 IonicContact OD2-NE 2.89Å; D218-R221 PolarHBondContact OD2-NE 3.47Å; D218-G222 PolarHBondContact O-N 3.17Å
219P86.7Confident96.1Very high93 Ų9349.6 Ų49.660%0.60424%0.24SC*.THydrogen-bonded Turntrans-55.9-29.5-178.2-27.335.8000113.8G222P219-G222 PolarHBondContact O-N 2.84Å
220E89.9Confident96.2Very high189 Ų18944.4 Ų44.488%0.88322%0.221SC*.THydrogen-bonded Turntrans-71.2-32180-59.5-171.3163.300112.2D218D218-E220 PolarHBondContact O-N 3.16Å; D218-E220 WeakPolarHBondContact OD1-CB 3.32Å; D218-E220 PolarHBondContact OD1-N 2.94Å; D218-E220 VanDerWaalsContact OD1-N 3.1Å
221R92.3Very high96.2Very high171 Ų17144 Ų4465%0.64522%0.219SC*.THydrogen-bonded Turntrans-87.8-9.7177.1-63.4-178.3-168.4-159.1-4.3113.7D218 N225D218-R221 HydrophobicContact CB-CB 4.24Å; D218-R221 HydrophobicContact CB-CG 4.33Å; D218-R221 PolarHBondContact O-N 2.61Å; D218-R221 VanDerWaalsContact O-N 3.12Å; D218-R221 PolarHBondContact OD1-N 3.26Å; D218-R221 WeakPolarHBondContact OD2-CD 3.36Å; D218-R221 VanDerWaalsContact OD2-CG 3.29Å; D218-R221 WeakPolarHBondContact OD2-CG 3.37Å; D218-R221 IonicContact OD2-CZ 3.77Å; D218-R221 IonicContact OD2-NE 2.89Å; D218-R221 PolarHBondContact OD2-NE 3.47Å; R221-N225 HydrophobicContact CB-CB 3.92Å; R221-N225 WeakPolarHBondContact O-CB 3.43Å; R221-N225 PolarHBondContact O-ND2 2.71Å
222G91.8Very high96.2Very high32 Ų3238 Ų3833%0.3320%0.197SC..  trans79.4176-174.900000113.8D218 P219 N225D218-G222 PolarHBondContact O-N 3.17Å; P219-G222 PolarHBondContact O-N 2.84Å; G222-N225 PolarHBondContact O-N 3.17Å
223I92.3Very high95.9Very high45 Ų4537.6 Ų37.623%0.23120%0.2CC..THydrogen-bonded Turntrans-64.9136.1-168.6-166.7157.4000113.3Y55 N225 F242Y55-I223 HydrophobicContact CD1-CD1 3.15Å; Y55-I223 HydrophobicContact CD1-CG1 4.37Å; Y55-I223 HydrophobicContact CD2-CD1 4.11Å; Y55-I223 HydrophobicContact CE1-CD1 3.68Å; Y55-I223 HydrophobicContact CG-CD1 3.37Å; I223-N225 PolarHBondContact O-N 2.95Å; I223-N225 VanDerWaalsContact O-N 3.07Å; I223-F242 HydrophobicContact CG2-CD2 4.36Å; I223-F242 HydrophobicContact CG2-CE2 4.23Å; I223-F242 VanDerWaalsContact O-CB 3.31Å; I223-F242 WeakPolarHBondContact O-CB 3.41Å
224Y96Very high95.8Very high27 Ų2745.4 Ų45.411%0.10624%0.237CC..THydrogen-bonded Turntrans56.917.8178.3-49.4-40.2000115.5Y55 L215 G240 I241 F242Y55-Y224 HydrophobicContact CD1-CE2 4.23Å; Y55-Y224 AromaticContact CE1-CE2 3.72Å; Y55-Y224 HydrophobicContact CE1-CE2 3.72Å; L215-Y224 HydrophobicContact CD2-CE1 4.19Å; Y224-G240 CarbonylContact O-C 3.56Å; Y224-G240 WeakPolarHBondContact O-CA 3.15Å; Y224-I241 PolarHBondContact O-N 3.43Å; Y224-I241 VanDerWaalsContact O-N 3.07Å; Y224-F242 AromaticContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CE2 4.2Å
225N97.5Very high95.7Very high45 Ų4546.7 Ų46.724%0.24125%0.245CC..  trans-92.223.8166.2-74.9-46.9000112.3R221 G222 I223 G240 F242R221-N225 HydrophobicContact CB-CB 3.92Å; R221-N225 WeakPolarHBondContact O-CB 3.43Å; R221-N225 PolarHBondContact O-ND2 2.71Å; G222-N225 PolarHBondContact O-N 3.17Å; I223-N225 PolarHBondContact O-N 2.95Å; I223-N225 VanDerWaalsContact O-N 3.07Å; N225-G240 CarbonylContact C-O 3.33Å; N225-G240 WeakPolarHBondContact CA-O 3.39Å; N225-F242 PolarHBondContact ND2-O 3.09Å; N225-F242 VanDerWaalsContact ND2-O 3.08Å; N225-F242 WeakPolarHBondContact OD1-CA 3.41Å; N225-F242 PolarHBondContact OD1-N 3.14Å; N225-F242 PolarHBondContact OD1-O 3.07Å; N225-F242 VanDerWaalsContact OD1-O 3.06Å
226S97.6Very high95.7Very high10 Ų1046.8 Ų46.87%0.0725%0.245CC..SBendtrans-134.7150.4176.4-173.50000107.9T216 G240T216-S226 WeakPolarHBondContact O-CB 3.32Å; T216-S226 PolarHBondContact O-OG 3.16Å; T216-S226 PolarHBondContact OG1-OG 3.42Å; S226-G240 VanDerWaalsContact O-CA 3.3Å; S226-G240 WeakPolarHBondContact O-CA 3.4Å
227P98.5Very high95.7Very high26 Ų2646.6 Ų46.617%0.16925%0.245CC..  trans-50.8140.4-174-30.637000114.7T216 G239 L266T216-P227 PolarHBondContact N-O 2.87Å; T216-P227 VanDerWaalsContact OG1-CD 3.27Å; T216-P227 WeakPolarHBondContact OG1-CD 3.42Å; T216-P227 PolarHBondContact OG1-O 3.05Å; P227-G239 WeakPolarHBondContact CA-O 3.35Å; P227-L266 HydrophobicContact CB-CD2 4.18Å
228Y98.7Very high95.8Very high10 Ų1046.2 Ų46.24%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-141.3145.7167.260.8-98.4000111.8A49 I202 I214 I230 T237 L238 G239A49-Y228 HydrophobicContact CB-CE2 4.22Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.32Å; I214-Y228 CarbonylContact O-C 3.52Å; I214-Y228 WeakPolarHBondContact O-CA 3.48Å; Y228-I230 HydrophobicContact CD2-CD1 3.79Å; Y228-I230 HydrophobicContact CD2-CG1 4.21Å; Y228-I230 HydrophobicContact CE2-CD1 4.29Å; Y228-T237 HydrophobicContact CE2-CG2 4.5Å; Y228-L238 WeakPolarHBondContact O-CA 3.15Å; Y228-G239 VanDerWaalsContact CE1-C 3.47Å; Y228-G239 VanDerWaalsContact CZ-CA 3.43Å; Y228-G239 PolarHBondContact N-O 3.11Å; Y228-G239 PolarHBondContact O-N 3.34Å
229I98.8Very high96Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-127.6115.2-178.5-55.7173.5000107.3M210 F213 I214 V236 T237 L238 C263 L266 E267 L270M210-I229 HydrophobicContact CE-CG2 4.27Å; F213-I229 CarbonylContact C-O 3.57Å; F213-I229 VanDerWaalsContact CA-O 3.28Å; F213-I229 WeakPolarHBondContact CA-O 3.37Å; I214-I229 HydrophobicContact CB-CB 4.37Å; I214-I229 HydrophobicContact CD1-CD1 4.33Å; I214-I229 PolarHBondContact N-O 3.29Å; I214-I229 PolarHBondContact O-N 2.81Å; I229-V236 HydrophobicContact CG2-CG1 3.5Å; I229-T237 WeakPolarHBondContact CA-O 3.46Å; I229-L238 HydrophobicContact CB-CD2 4.38Å; I229-L238 HydrophobicContact CG1-CD2 3.98Å; I229-L238 HydrophobicContact CG2-CD2 4.01Å; I229-C263 HydrophobicContact CD1-CB 4.45Å; I229-C263 HydrophobicContact CG1-CB 4.33Å; I229-L266 HydrophobicContact CD1-CB 4.49Å; I229-L266 HydrophobicContact CD1-CD2 3.9Å; I229-L266 HydrophobicContact CD1-CG 4.22Å; I229-L266 HydrophobicContact CG1-CD2 4.27Å; I229-E267 HydrophobicContact CD1-CB 3.51Å; I229-E267 HydrophobicContact CD1-CG 4.41Å; I229-L270 HydrophobicContact CD1-CD1 3.8Å; I229-L270 HydrophobicContact CG1-CD1 4.37Å
230I98.8Very high96.6Very high8 Ų840.8 Ų40.84%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-127.9104.2-176.2-63.2168.3000108.9A49 L51 I138 F213 L215 Y228 G232 T237A49-I230 HydrophobicContact CB-CB 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.53Å; A49-I230 WeakPolarHBondContact O-CG2 2.94Å; L51-I230 HydrophobicContact CB-CD1 3.92Å; L51-I230 HydrophobicContact CB-CG1 4.44Å; L51-I230 HydrophobicContact CB-CG2 4.05Å; L51-I230 HydrophobicContact CD2-CD1 4.28Å; I138-I230 HydrophobicContact CD1-CG2 3.64Å; F213-I230 HydrophobicContact CB-CG1 4.42Å; L215-I230 HydrophobicContact CD1-CD1 4.26Å; L215-I230 HydrophobicContact CD1-CG1 4.05Å; Y228-I230 HydrophobicContact CD2-CD1 3.79Å; Y228-I230 HydrophobicContact CD2-CG1 4.21Å; Y228-I230 HydrophobicContact CE2-CD1 4.29Å; I230-G232 PolarHBondContact O-N 3.03Å; I230-T237 PolarHBondContact N-O 3.41Å; I230-T237 PolarHBondContact O-N 3.35Å
231P98.6Very high97Very high7 Ų732.2 Ų32.25%0.04517%0.17CC..EExtended strand (participates in β ladder)trans-62.7126.6172.6-22.533.3000112.1I92 M210 H212 V236I92-P231 HydrophobicContact CD1-CB 3.91Å; I92-P231 HydrophobicContact CD1-CG 3.99Å; M210-P231 HydrophobicContact CB-CG 4.05Å; M210-P231 WeakPolarHBondContact O-CB 3.3Å; M210-P231 WeakPolarHBondContact O-CG 3.36Å; H212-P231 WeakPolarHBondContact O-CD 3.45Å; H212-P231 WeakPolarHBondContact O-CG 3.5Å; P231-V236 HydrophobicContact CB-CG2 4.42Å
232G97.4Very high97.2Very high16 Ų1624.7 Ų24.717%0.16514%0.142CC..  trans-97-167.7165.300000111.7E140 I230 T235E140-G232 WeakPolarHBondContact OE1-CA 3.37Å; I230-G232 PolarHBondContact O-N 3.03Å; G232-T235 VanDerWaalsContact CA-O 3.3Å; G232-T235 WeakPolarHBondContact CA-O 3.23Å; G232-T235 PolarHBondContact N-O 3.09Å
233T94Very high97.5Very high64 Ų6425.7 Ų25.739%0.39314%0.138SC..SBendtrans-68.3-43.2179.157.40000112F90 E140F90-T233 HydrophobicContact CD1-CG2 3.89Å; F90-T233 HydrophobicContact CE1-CG2 3.45Å; F90-T233 VanDerWaalsContact CE1-CG2 3.45Å; F90-T233 HydrophobicContact CZ-CG2 4.35Å; E140-T233 VanDerWaalsContact CD-OG1 3.24Å; E140-T233 PolarHBondContact OE1-N 3.31Å; E140-T233 PolarHBondContact OE1-OG1 2.96Å; E140-T233 WeakPolarHBondContact OE2-CB 3.16Å; E140-T233 WeakPolarHBondContact OE2-CG2 3.35Å; E140-T233 PolarHBondContact OE2-OG1 3.35Å
234Q95Very high97.7Very high164 Ų16428.6 Ų28.677%0.76615%0.154SC*.SBendtrans-115.3-25.9-174-63.9-18029.600114.1
235T97.6Very high97.8Very high32 Ų3229 Ų2920%0.19617%0.166CC..  trans-139.6156-175.156.80000110.3V205 G232 I276V205-T235 WeakPolarHBondContact O-CA 3.44Å; G232-T235 VanDerWaalsContact CA-O 3.3Å; G232-T235 WeakPolarHBondContact CA-O 3.23Å; G232-T235 PolarHBondContact N-O 3.09Å; T235-I276 HydrophobicContact CG2-CG1 4.22Å; T235-I276 HydrophobicContact CG2-CG2 4.42Å
236V98.7Very high97.8Very high5 Ų529.4 Ų29.43%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-97.3133.7172.9-178.70000108.9K204 V205 A207 M210 I229 P231 L238K204-V236 WeakPolarHBondContact CA-O 3.42Å; V205-V236 HydrophobicContact CG2-CB 3.86Å; V205-V236 HydrophobicContact CG2-CG1 4.44Å; V205-V236 PolarHBondContact N-O 2.85Å; V205-V236 PolarHBondContact O-N 3.35Å; A207-V236 HydrophobicContact CB-CB 4.44Å; A207-V236 HydrophobicContact CB-CG2 3.94Å; A207-V236 WeakPolarHBondContact O-CG2 3.34Å; M210-V236 HydrophobicContact CB-CG2 3.9Å; M210-V236 HydrophobicContact CG-CG2 4.31Å; I229-V236 HydrophobicContact CG2-CG1 3.5Å; P231-V236 HydrophobicContact CB-CG2 4.42Å; V236-L238 HydrophobicContact CG1-CD2 4.09Å
237T98.7Very high97.9Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-90.2123.5173.8-44.20000109.7A49 I202 M203 K204 Y228 I229 I230A49-T237 HydrophobicContact CB-CG2 3.95Å; I202-T237 HydrophobicContact CB-CG2 3.95Å; I202-T237 HydrophobicContact CD1-CG2 3.75Å; I202-T237 HydrophobicContact CG1-CG2 4.48Å; I202-T237 HydrophobicContact CG2-CG2 4.03Å; M203-T237 WeakPolarHBondContact O-CA 3.49Å; K204-T237 HydrophobicContact CD-CG2 4.39Å; K204-T237 PolarHBondContact NZ-OG1 3.37Å; Y228-T237 HydrophobicContact CE2-CG2 4.5Å; I229-T237 WeakPolarHBondContact CA-O 3.46Å; I230-T237 PolarHBondContact N-O 3.41Å; I230-T237 PolarHBondContact O-N 3.35Å
238L98.8Very high97.8Very high0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-104.3139168.3-48.8-176000108.8I202 M203 V205 Y228 I229 V236 I259 W260 C263 L270I202-L238 WeakPolarHBondContact CA-O 3.37Å; I202-L238 WeakPolarHBondContact CB-O 3.48Å; M203-L238 HydrophobicContact CB-CB 4.22Å; M203-L238 PolarHBondContact N-O 3.42Å; M203-L238 PolarHBondContact O-N 3.27Å; V205-L238 HydrophobicContact CG1-CD1 3.65Å; V205-L238 HydrophobicContact CG1-CG 4.12Å; V205-L238 HydrophobicContact CG2-CD1 4.08Å; V205-L238 HydrophobicContact CG2-CD2 4.25Å; V205-L238 HydrophobicContact CG2-CG 4.04Å; Y228-L238 WeakPolarHBondContact O-CA 3.15Å; I229-L238 HydrophobicContact CB-CD2 4.38Å; I229-L238 HydrophobicContact CG1-CD2 3.98Å; I229-L238 HydrophobicContact CG2-CD2 4.01Å; V236-L238 HydrophobicContact CG1-CD2 4.09Å; L238-I259 HydrophobicContact CB-CG2 3.75Å; L238-W260 HydrophobicContact CD1-CE3 4.18Å; L238-W260 HydrophobicContact CD1-CZ3 4.19Å; L238-C263 HydrophobicContact CB-CB 4.39Å; L238-C263 HydrophobicContact CD1-CB 4.16Å; L238-C263 HydrophobicContact CD2-CB 4.19Å; L238-C263 HydrophobicContact CG-CB 4.49Å; L238-L270 HydrophobicContact CD1-CD1 4.11Å; L238-L270 HydrophobicContact CD2-CD1 3.65Å; L238-L270 HydrophobicContact CD2-CD2 4.26Å
239G98.6Very high97.7Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-159.1-168.5171.600000112.6P227 Y228P227-G239 WeakPolarHBondContact CA-O 3.35Å; Y228-G239 VanDerWaalsContact CE1-C 3.47Å; Y228-G239 VanDerWaalsContact CZ-CA 3.43Å; Y228-G239 PolarHBondContact N-O 3.11Å; Y228-G239 PolarHBondContact O-N 3.34Å
240G98.2Very high97.7Very high6 Ų648.7 Ų48.76%0.06226%0.26CS..  trans155.227.4-178.600000112.4Y224 N225 S226Y224-G240 CarbonylContact O-C 3.56Å; Y224-G240 WeakPolarHBondContact O-CA 3.15Å; N225-G240 CarbonylContact C-O 3.33Å; N225-G240 WeakPolarHBondContact CA-O 3.39Å; S226-G240 VanDerWaalsContact O-CA 3.3Å; S226-G240 WeakPolarHBondContact O-CA 3.4Å
241I98.3Very high97.6Very high9 Ų951.6 Ų51.65%0.04628%0.275CS..  trans-130.2125.4-175.9-56.9-66.3000109.9G200 Y224 Q243 D255 T258 I259 R283G200-I241 WeakPolarHBondContact CA-O 3.39Å; Y224-I241 PolarHBondContact O-N 3.43Å; Y224-I241 VanDerWaalsContact O-N 3.07Å; I241-Q243 HydrophobicContact CG2-CG 3.95Å; I241-D255 HydrophobicContact CD1-CB 4.13Å; I241-D255 HydrophobicContact CG1-CB 4.02Å; I241-T258 HydrophobicContact CD1-CG2 3.94Å; I241-I259 HydrophobicContact CG1-CD1 3.77Å; I241-I259 HydrophobicContact CG1-CG1 3.72Å; I241-R283 PolarHBondContact O-NH1 2.86Å; I241-R283 VanDerWaalsContact O-NH1 3.16Å
242F97.8Very high97.6Very high13 Ų1353.9 Ų53.96%0.05729%0.287CS..  trans-145.593.5173.3-162.9-60.3000109.9R199 I223 Y224 N225 L244 R283 V285R199-F242 CarbonylContact O-C 3.38Å; R199-F242 WeakPolarHBondContact O-CA 3.29Å; I223-F242 HydrophobicContact CG2-CD2 4.36Å; I223-F242 HydrophobicContact CG2-CE2 4.23Å; I223-F242 VanDerWaalsContact O-CB 3.31Å; I223-F242 WeakPolarHBondContact O-CB 3.41Å; Y224-F242 AromaticContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CE2 4.2Å; N225-F242 PolarHBondContact ND2-O 3.09Å; N225-F242 VanDerWaalsContact ND2-O 3.08Å; N225-F242 WeakPolarHBondContact OD1-CA 3.41Å; N225-F242 PolarHBondContact OD1-N 3.14Å; N225-F242 PolarHBondContact OD1-O 3.07Å; N225-F242 VanDerWaalsContact OD1-O 3.06Å; F242-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD1-CG 4.39Å; F242-L244 HydrophobicContact CE1-CD2 3.67Å; F242-L244 HydrophobicContact CE1-CG 4.07Å; F242-R283 HydrophobicContact CE2-CG 4.46Å; F242-V285 HydrophobicContact CE1-CG2 3.74Å; F242-V285 HydrophobicContact CZ-CG2 3.46Å; F242-V285 VanDerWaalsContact CZ-CG2 3.46Å
243Q97.7Very high97.6Very high53 Ų5358.8 Ų58.825%0.24831%0.308CS..EExtended strand (participates in β ladder)trans-106.9106.8-176.3-65.8164.9-11.900110.4R199 I241 N246 D255R199-Q243 HydrophobicContact CB-CB 4.29Å; R199-Q243 PolarHBondContact N-O 2.82Å; R199-Q243 PolarHBondContact O-N 3.09Å; I241-Q243 HydrophobicContact CG2-CG 3.95Å; Q243-N246 HydrophobicContact CB-CB 3.99Å; Q243-N246 PolarHBondContact OE1-ND2 2.94Å; Q243-D255 PolarHBondContact NE2-OD1 2.85Å; Q243-D255 PolarHBondContact NE2-OD2 2.73Å
244L97.3Very high97.8Very high106 Ų10661.6 Ų61.656%0.55532%0.317SS*.EExtended strand (participates in β ladder)trans-67.5138.4176.6-72.4173.8000111.8P197 F242 N246 V285P197-L244 CarbonylContact O-C 3.59Å; P197-L244 WeakPolarHBondContact O-CA 3.34Å; F242-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD1-CG 4.39Å; F242-L244 HydrophobicContact CE1-CD2 3.67Å; F242-L244 HydrophobicContact CE1-CG 4.07Å; L244-N246 PolarHBondContact O-N 3.2Å; L244-N246 VanDerWaalsContact O-N 3.16Å; L244-V285 HydrophobicContact CD2-CB 3.88Å; L244-V285 HydrophobicContact CD2-CG1 3.76Å; L244-V285 HydrophobicContact CD2-CG2 3.85Å
245G97.4Very high98Very high36 Ų3654.2 Ų54.237%0.37128%0.283SS..THydrogen-bonded Turntrans77.2-9.6175.900000115P197 W247P197-G245 PolarHBondContact O-N 2.76Å; G245-W247 PolarHBondContact O-N 2.8Å
246N98.1Very high98Very high53 Ų5354.4 Ų54.428%0.28328%0.281SS..  trans-78.8116.7178.4-171.4-9.9000110.9R199 Q243 L244 S248 F282R199-N246 HydrophobicContact CB-CB 4.07Å; R199-N246 WeakPolarHBondContact CB-O 3.49Å; R199-N246 VanDerWaalsContact CD-CG 3.42Å; R199-N246 WeakPolarHBondContact CD-ND2 3.42Å; Q243-N246 HydrophobicContact CB-CB 3.99Å; Q243-N246 PolarHBondContact OE1-ND2 2.94Å; L244-N246 PolarHBondContact O-N 3.2Å; L244-N246 VanDerWaalsContact O-N 3.16Å; N246-S248 WeakPolarHBondContact OD1-CB 3.12Å; N246-S248 PolarHBondContact OD1-N 2.77Å; N246-F282 WeakPolarHBondContact O-CE1 3.5Å
247W98.1Very high98Very high128 Ų12856.8 Ų56.849%0.48529%0.294SS..  trans-98.15.8179.7-75.8100.7000114.2V184 W185 P197 G245 E249 F282V184-W247 HydrophobicContact CG1-CH2 4.31Å; V184-W247 HydrophobicContact CG1-CZ3 4.16Å; V184-W247 HydrophobicContact CG2-CH2 3.76Å; V184-W247 HydrophobicContact CG2-CZ2 4.5Å; V184-W247 HydrophobicContact CG2-CZ3 4.2Å; W185-W247 AromaticContact NE1-CZ3 3.86Å; P197-W247 HydrophobicContact CB-CD2 4.09Å; P197-W247 HydrophobicContact CB-CE3 4.17Å; P197-W247 HydrophobicContact CB-CH2 4.37Å; P197-W247 HydrophobicContact CB-CZ2 4.28Å; P197-W247 HydrophobicContact CB-CZ3 4.3Å; P197-W247 HydrophobicContact CG-CD2 3.63Å; P197-W247 VanDerWaalsContact CG-CE2 3.42Å; P197-W247 HydrophobicContact CG-CE3 4.22Å; P197-W247 HydrophobicContact CG-CG 3.9Å; P197-W247 HydrophobicContact CG-CH2 4.45Å; P197-W247 HydrophobicContact CG-CZ2 3.89Å; G245-W247 PolarHBondContact O-N 2.8Å; W247-E249 PolarHBondContact O-N 3.26Å; W247-F282 WeakPolarHBondContact O-CZ 3.4Å
248S97.8Very high98Very high54 Ų5459.7 Ų59.738%0.37831%0.312SS..  trans-68.3115.4-180-176.90000111.4R199 N246 L250R199-S248 WeakPolarHBondContact CD-O 3.18Å; R199-S248 PolarHBondContact NE-O 3Å; N246-S248 WeakPolarHBondContact OD1-CB 3.12Å; N246-S248 PolarHBondContact OD1-N 2.77Å; S248-L250 VanDerWaalsContact C-N 3.29Å
249E96.1Very high98Very high135 Ų13559.8 Ų59.863%0.63131%0.312SS*.  trans-78.6-15.5178.6-40.7-159.9174.500112.9W247 T280 F282W247-E249 PolarHBondContact O-N 3.26Å; E249-T280 WeakPolarHBondContact O-CB 3.34Å; E249-F282 HydrophobicContact CB-CE2 4.18Å; E249-F282 HydrophobicContact CB-CZ 4.1Å; E249-F282 HydrophobicContact CG-CE2 3.69Å; E249-F282 HydrophobicContact CG-CZ 3.75Å
250L97.7Very high98Very high134 Ų13462.7 Ų62.770%0.70232%0.323SS*.SBendtrans-78139.9-176.8-61179.1000110.7R199 S248R199-L250 PolarHBondContact NH2-O 3.17Å; S248-L250 VanDerWaalsContact C-N 3.29Å
251N98Very high98Very high69 Ų6967.7 Ų67.737%0.36935%0.345SS..  trans-62.8144.7164.1-60.9-20.9000108.8Q201 E278 T280Q201-N251 VanDerWaalsContact OE1-CA 3.31Å; N251-E278 WeakPolarHBondContact ND2-CB 3.32Å; N251-E278 PolarHBondContact ND2-O 3.33Å; N251-E278 VanDerWaalsContact ND2-O 3.09Å; N251-T280 PolarHBondContact OD1-N 3.43Å; N251-T280 PolarHBondContact OD1-OG1 2.83Å
252N98.2Very high98Very high54 Ų5467.8 Ų67.829%0.28935%0.348SS..  trans-127.5156.7173.873.773.7000111.5R199 Q201 Q254 D255 H256R199-N252 PolarHBondContact NH2-ND2 2.89Å; R199-N252 VanDerWaalsContact NH2-ND2 3.19Å; Q201-N252 PolarHBondContact NE2-O 3.41Å; N252-Q254 PolarHBondContact OD1-N 2.64Å; N252-Q254 VanDerWaalsContact OD1-N 3.14Å; N252-D255 VanDerWaalsContact ND2-CG 3.33Å; N252-D255 PolarHBondContact ND2-OD2 3.17Å; N252-D255 WeakPolarHBondContact OD1-CB 3.34Å; N252-D255 PolarHBondContact OD1-N 3.31Å; N252-H256 PolarHBondContact O-N 2.76Å; N252-H256 VanDerWaalsContact O-N 3.13Å
253I98.2Very high98Very high119 Ų11967.2 Ų67.261%0.6135%0.345SS*.Hα-helixtrans-71.9-29.1-173.8-168.959.5000113H256 N257I253-H256 HydrophobicContact CD1-CB 4.35Å; I253-H256 WeakPolarHBondContact O-CB 3.28Å; I253-H256 PolarHBondContact O-N 3.16Å; I253-N257 WeakPolarHBondContact O-CB 3.46Å; I253-N257 PolarHBondContact O-N 3.27Å; I253-N257 PolarHBondContact O-ND2 3.41Å
254Q98.3Very high98.1Very high124 Ų12465.8 Ų65.858%0.57934%0.341SS*.Hα-helixtrans-67.7-46179.8-17661.627.700111N252 N257 T258N252-Q254 PolarHBondContact OD1-N 2.64Å; N252-Q254 VanDerWaalsContact OD1-N 3.14Å; Q254-N257 PolarHBondContact O-N 3.34Å; Q254-T258 WeakPolarHBondContact O-CB 3.13Å; Q254-T258 PolarHBondContact O-N 3.09Å; Q254-T258 PolarHBondContact O-OG1 2.62Å
255D98.4Very high98.1Very high8 Ų868.8 Ų68.84%0.04335%0.345CS..Hα-helixtrans-68.1-37.9176.3-70.3-12.3000111.4R199 Q201 I241 Q243 N252 T258 I259R199-D255 IonicContact CZ-OD2 3.6Å; R199-D255 IonicContact NH1-OD2 2.63Å; R199-D255 PolarHBondContact NH1-OD2 3.14Å; R199-D255 IonicContact NH2-OD2 3.72Å; Q201-D255 HydrophobicContact CB-CB 4.26Å; I241-D255 HydrophobicContact CD1-CB 4.13Å; I241-D255 HydrophobicContact CG1-CB 4.02Å; Q243-D255 PolarHBondContact NE2-OD1 2.85Å; Q243-D255 PolarHBondContact NE2-OD2 2.73Å; N252-D255 VanDerWaalsContact ND2-CG 3.33Å; N252-D255 PolarHBondContact ND2-OD2 3.17Å; N252-D255 WeakPolarHBondContact OD1-CB 3.34Å; N252-D255 PolarHBondContact OD1-N 3.31Å; D255-T258 PolarHBondContact O-N 3.2Å; D255-I259 WeakPolarHBondContact O-CD1 3.45Å; D255-I259 VanDerWaalsContact O-CG1 3.23Å; D255-I259 WeakPolarHBondContact O-CG1 3.43Å; D255-I259 PolarHBondContact O-N 2.6Å
256H98.4Very high98.1Very high36 Ų3667.9 Ų67.917%0.16733%0.332CS..Hα-helixtrans-53.9-55.6171.4172.6106.9000111.1M203 N252 I253 T258 I259 W260 E278M203-H256 VanDerWaalsContact CE-CE1 3.4Å; M203-H256 WeakPolarHBondContact CE-CE1 3.16Å; N252-H256 PolarHBondContact O-N 2.76Å; N252-H256 VanDerWaalsContact O-N 3.13Å; I253-H256 HydrophobicContact CD1-CB 4.35Å; I253-H256 WeakPolarHBondContact O-CB 3.28Å; I253-H256 PolarHBondContact O-N 3.16Å; H256-T258 VanDerWaalsContact C-N 3.31Å; H256-T258 PolarHBondContact O-N 3.19Å; H256-I259 PolarHBondContact O-N 3.21Å; H256-W260 WeakPolarHBondContact O-CB 3.38Å; H256-W260 PolarHBondContact O-N 2.82Å; H256-E278 IonicContact CE1-OE1 3.1Å; H256-E278 PolarHBondContact CE1-OE1 3.17Å; H256-E278 IonicContact CG-OE1 3.96Å; H256-E278 IonicContact CG-OE2 3.89Å; H256-E278 IonicContact ND1-OE1 2.67Å; H256-E278 PolarHBondContact ND1-OE1 3.31Å; H256-E278 IonicContact ND1-OE2 3.16Å; H256-E278 PolarHBondContact ND1-OE2 3.31Å; H256-E278 VanDerWaalsContact ND1-OE2 3.16Å
257N98.4Very high98.1Very high56 Ų5667.2 Ų67.230%0.29933%0.327SS..Hα-helixtrans-61.2-43.3-178.4-67.9-15.1000110.7I253 Q254 I259 W260 E261I253-N257 WeakPolarHBondContact O-CB 3.46Å; I253-N257 PolarHBondContact O-N 3.27Å; I253-N257 PolarHBondContact O-ND2 3.41Å; Q254-N257 PolarHBondContact O-N 3.34Å; N257-I259 PolarHBondContact O-N 2.83Å; N257-W260 PolarHBondContact O-N 3.3Å; N257-E261 VanDerWaalsContact O-CB 3.24Å; N257-E261 WeakPolarHBondContact O-CB 3.12Å; N257-E261 VanDerWaalsContact O-CG 3.25Å; N257-E261 WeakPolarHBondContact O-CG 3.44Å; N257-E261 PolarHBondContact O-N 2.88Å
258T98.3Very high98Very high60 Ų6064.9 Ų64.937%0.36833%0.328SS..Hα-helixtrans-58.3-47.1178.3-57.90000111.8I241 Q254 D255 H256 G262I241-T258 HydrophobicContact CD1-CG2 3.94Å; Q254-T258 WeakPolarHBondContact O-CB 3.13Å; Q254-T258 PolarHBondContact O-N 3.09Å; Q254-T258 PolarHBondContact O-OG1 2.62Å; D255-T258 PolarHBondContact O-N 3.2Å; H256-T258 VanDerWaalsContact C-N 3.31Å; H256-T258 PolarHBondContact O-N 3.19Å; T258-G262 PolarHBondContact O-N 2.71Å; T258-G262 VanDerWaalsContact O-N 3.12Å
259I98.6Very high98Very high2 Ų265.1 Ų65.11%0.0133%0.327CS..Hα-helixtrans-66.1-50.4178.5-66.2163.2000110.4Q201 M203 L238 I241 D255 H256 N257 C263Q201-I259 HydrophobicContact CB-CD1 4.13Å; Q201-I259 HydrophobicContact CG-CD1 4.27Å; Q201-I259 WeakPolarHBondContact O-CD1 3.44Å; M203-I259 HydrophobicContact CG-CB 4.47Å; M203-I259 HydrophobicContact CG-CG2 3.9Å; M203-I259 HydrophobicContact SD-CB 4.19Å; M203-I259 HydrophobicContact SD-CG2 3.84Å; L238-I259 HydrophobicContact CB-CG2 3.75Å; I241-I259 HydrophobicContact CG1-CD1 3.77Å; I241-I259 HydrophobicContact CG1-CG1 3.72Å; D255-I259 WeakPolarHBondContact O-CD1 3.45Å; D255-I259 VanDerWaalsContact O-CG1 3.23Å; D255-I259 WeakPolarHBondContact O-CG1 3.43Å; D255-I259 PolarHBondContact O-N 2.6Å; H256-I259 PolarHBondContact O-N 3.21Å; N257-I259 PolarHBondContact O-N 2.83Å; I259-C263 VanDerWaalsContact O-CB 3.25Å; I259-C263 WeakPolarHBondContact O-CB 3.07Å; I259-C263 PolarHBondContact O-N 3.23Å; I259-C263 PolarHBondContact O-SG 2.96Å
260W98.6Very high98.1Very high61 Ų6158.7 Ų58.723%0.23130%0.297CS..Hα-helixtrans-64-50.3-174.2-177.3-104.6000112.1M203 V205 L238 H256 N257 C264 I275M203-W260 HydrophobicContact CE-CB 4.49Å; M203-W260 HydrophobicContact CE-CD2 4.47Å; M203-W260 HydrophobicContact CE-CE3 3.78Å; M203-W260 HydrophobicContact CE-CZ3 4.46Å; M203-W260 HydrophobicContact SD-CB 4.01Å; M203-W260 HydrophobicContact SD-CE3 4.08Å; V205-W260 HydrophobicContact CG1-CZ3 4.14Å; L238-W260 HydrophobicContact CD1-CE3 4.18Å; L238-W260 HydrophobicContact CD1-CZ3 4.19Å; H256-W260 WeakPolarHBondContact O-CB 3.38Å; H256-W260 PolarHBondContact O-N 2.82Å; N257-W260 PolarHBondContact O-N 3.3Å; W260-C264 VanDerWaalsContact CE2-SG 3.58Å; W260-C264 VanDerWaalsContact O-CB 3.27Å; W260-C264 WeakPolarHBondContact O-CB 3.3Å; W260-C264 PolarHBondContact O-N 2.75Å; W260-C264 PolarHBondContact O-SG 2.83Å; W260-I275 HydrophobicContact CE3-CD1 4.18Å; W260-I275 HydrophobicContact CE3-CG1 4.34Å; W260-I275 HydrophobicContact CH2-CD1 4.4Å; W260-I275 HydrophobicContact CH2-CG1 4.23Å; W260-I275 HydrophobicContact CZ3-CD1 4.02Å; W260-I275 HydrophobicContact CZ3-CG1 3.79Å
261E98.2Very high98Very high112 Ų11259.5 Ų59.552%0.52330%0.295SS..Hα-helixtrans-65.4-42.8179.9-67.4173.4-17200111.5N257 R265N257-E261 VanDerWaalsContact O-CB 3.24Å; N257-E261 WeakPolarHBondContact O-CB 3.12Å; N257-E261 VanDerWaalsContact O-CG 3.25Å; N257-E261 WeakPolarHBondContact O-CG 3.44Å; N257-E261 PolarHBondContact O-N 2.88Å; E261-R265 WeakPolarHBondContact O-CB 3.4Å; E261-R265 PolarHBondContact O-N 3.06Å
262G98Very high97.8Very high11 Ų1162.2 Ų62.211%0.11331%0.31CS..Hα-helixtrans-63.3-47.6177.700000112.4T258 R265 L266T258-G262 PolarHBondContact O-N 2.71Å; T258-G262 VanDerWaalsContact O-N 3.12Å; G262-R265 PolarHBondContact O-N 2.84Å; G262-L266 PolarHBondContact O-N 2.9Å; G262-L266 VanDerWaalsContact O-N 3.09Å
263C98.6Very high97.8Very high0 Ų060.1 Ų60.10%030%0.3CS..Hα-helixtrans-69.8-38.6179.1-66.80000112.4I229 L238 I259 R265 L266 E267 L270I229-C263 HydrophobicContact CD1-CB 4.45Å; I229-C263 HydrophobicContact CG1-CB 4.33Å; L238-C263 HydrophobicContact CB-CB 4.39Å; L238-C263 HydrophobicContact CD1-CB 4.16Å; L238-C263 HydrophobicContact CD2-CB 4.19Å; L238-C263 HydrophobicContact CG-CB 4.49Å; I259-C263 VanDerWaalsContact O-CB 3.25Å; I259-C263 WeakPolarHBondContact O-CB 3.07Å; I259-C263 PolarHBondContact O-N 3.23Å; I259-C263 PolarHBondContact O-SG 2.96Å; C263-R265 VanDerWaalsContact C-N 3.31Å; C263-R265 PolarHBondContact O-N 2.82Å; C263-L266 PolarHBondContact O-N 3.23Å; C263-E267 PolarHBondContact O-N 3.17Å; C263-L270 HydrophobicContact CB-CD1 3.88Å
264C98.3Very high97.8Very high24 Ų2462 Ų6216%0.16230%0.3CS..Hα-helixtrans-68.8-28.2175.6-72.70000112.9W260 E267 P268W260-C264 VanDerWaalsContact CE2-SG 3.58Å; W260-C264 VanDerWaalsContact O-CB 3.27Å; W260-C264 WeakPolarHBondContact O-CB 3.3Å; W260-C264 PolarHBondContact O-N 2.75Å; W260-C264 PolarHBondContact O-SG 2.83Å; C264-E267 CarbonylContact O-C 3.14Å; C264-P268 VanDerWaalsContact O-CA 3.23Å; C264-P268 WeakPolarHBondContact O-CA 3.48Å
265R97.7Very high97.8Very high169 Ų16959.3 Ų59.364%0.63829%0.289SS*.Hα-helixtrans-69-43.4171.4-171.9-177.1-54.1157.67.3111.1E261 G262 C263E261-R265 WeakPolarHBondContact O-CB 3.4Å; E261-R265 PolarHBondContact O-N 3.06Å; G262-R265 PolarHBondContact O-N 2.84Å; C263-R265 VanDerWaalsContact C-N 3.31Å; C263-R265 PolarHBondContact O-N 2.82Å
266L97.7Very high97.8Very high17 Ų1762.7 Ų62.79%0.08931%0.306CS..Hα-helixtrans-67.1-41.7178.4-179.161.8000112.5L97 F125 Y128 I214 T216 P227 I229 G262 C263L97-L266 HydrophobicContact CD1-CD1 4.05Å; F125-L266 HydrophobicContact CD1-CD1 4.17Å; Y128-L266 HydrophobicContact CE2-CD1 3.85Å; I214-L266 HydrophobicContact CB-CD2 4.32Å; I214-L266 HydrophobicContact CG2-CD1 4.08Å; I214-L266 HydrophobicContact CG2-CD2 3.72Å; I214-L266 HydrophobicContact CG2-CG 4.08Å; T216-L266 HydrophobicContact CG2-CD1 3.68Å; T216-L266 HydrophobicContact CG2-CD2 3.56Å; T216-L266 HydrophobicContact CG2-CG 4.25Å; P227-L266 HydrophobicContact CB-CD2 4.18Å; I229-L266 HydrophobicContact CD1-CB 4.49Å; I229-L266 HydrophobicContact CD1-CD2 3.9Å; I229-L266 HydrophobicContact CD1-CG 4.22Å; I229-L266 HydrophobicContact CG1-CD2 4.27Å; G262-L266 PolarHBondContact O-N 2.9Å; G262-L266 VanDerWaalsContact O-N 3.09Å; C263-L266 PolarHBondContact O-N 3.23Å
267E97.8Very high97.7Very high38 Ų3862 Ų6218%0.17831%0.308CS..  trans-132.689.4179.7177.550.2-105.200110.2M210 I229 C263 C264 T269 L270M210-E267 HydrophobicContact CE-CB 4.49Å; M210-E267 HydrophobicContact CE-CG 3.65Å; M210-E267 HydrophobicContact SD-CG 3.68Å; I229-E267 HydrophobicContact CD1-CB 3.51Å; I229-E267 HydrophobicContact CD1-CG 4.41Å; C263-E267 PolarHBondContact O-N 3.17Å; C264-E267 CarbonylContact O-C 3.14Å; E267-T269 WeakPolarHBondContact CG-OG1 3.5Å; E267-T269 PolarHBondContact O-N 3.48Å; E267-T269 VanDerWaalsContact OE1-CB 3.24Å; E267-T269 WeakPolarHBondContact OE1-CB 3.29Å; E267-T269 WeakPolarHBondContact OE1-CG2 3.48Å; E267-T269 PolarHBondContact OE1-N 2.95Å; E267-T269 PolarHBondContact OE1-OG1 2.84Å; E267-L270 HydrophobicContact CB-CD1 4.02Å; E267-L270 HydrophobicContact CB-CG 4.14Å; E267-L270 HydrophobicContact CG-CD1 4.31Å; E267-L270 HydrophobicContact CG-CG 3.91Å; E267-L270 WeakPolarHBondContact O-CB 3.34Å; E267-L270 PolarHBondContact O-N 3.49Å
268P97.5Very high97.7Very high79 Ų7961 Ų6151%0.51330%0.302SS..G310 helixtrans-60.6-18.4-175.8-27.236.3000115.2C264 L270 K271C264-P268 VanDerWaalsContact O-CA 3.23Å; C264-P268 WeakPolarHBondContact O-CA 3.48Å; P268-L270 PolarHBondContact O-N 2.67Å; P268-K271 WeakPolarHBondContact O-CD 3.4Å; P268-K271 VanDerWaalsContact O-CG 3.26Å; P268-K271 WeakPolarHBondContact O-CG 3.35Å; P268-K271 PolarHBondContact O-N 2.87Å
269T97.6Very high97.6Very high59 Ų5965.3 Ų65.336%0.36231%0.311SS..G310 helixtrans-68.8-20.9175.866.70000112.7W209 E267 K271 N272W209-T269 PolarHBondContact NE1-OG1 2.87Å; E267-T269 WeakPolarHBondContact CG-OG1 3.5Å; E267-T269 PolarHBondContact O-N 3.48Å; E267-T269 VanDerWaalsContact OE1-CB 3.24Å; E267-T269 WeakPolarHBondContact OE1-CB 3.29Å; E267-T269 WeakPolarHBondContact OE1-CG2 3.48Å; E267-T269 PolarHBondContact OE1-N 2.95Å; E267-T269 PolarHBondContact OE1-OG1 2.84Å; T269-K271 PolarHBondContact O-N 2.83Å; T269-K271 VanDerWaalsContact O-N 3.14Å; T269-N272 PolarHBondContact O-N 2.92Å
270L97.9Very high97.6Very high0 Ų066.2 Ų66.20%032%0.317CS..G310 helixtrans-62.1-18.9177-73.8176.2000113.9V205 A207 I229 L238 C263 E267 P268 N272 A273V205-L270 HydrophobicContact CG2-CD2 4.1Å; A207-L270 HydrophobicContact CB-CD2 3.9Å; I229-L270 HydrophobicContact CD1-CD1 3.8Å; I229-L270 HydrophobicContact CG1-CD1 4.37Å; L238-L270 HydrophobicContact CD1-CD1 4.11Å; L238-L270 HydrophobicContact CD2-CD1 3.65Å; L238-L270 HydrophobicContact CD2-CD2 4.26Å; C263-L270 HydrophobicContact CB-CD1 3.88Å; E267-L270 HydrophobicContact CB-CD1 4.02Å; E267-L270 HydrophobicContact CB-CG 4.14Å; E267-L270 HydrophobicContact CG-CD1 4.31Å; E267-L270 HydrophobicContact CG-CG 3.91Å; E267-L270 WeakPolarHBondContact O-CB 3.34Å; E267-L270 PolarHBondContact O-N 3.49Å; P268-L270 PolarHBondContact O-N 2.67Å; L270-N272 PolarHBondContact O-N 2.9Å; L270-A273 HydrophobicContact CD2-CB 4.12Å; L270-A273 VanDerWaalsContact O-CB 3.22Å; L270-A273 WeakPolarHBondContact O-CB 2.99Å; L270-A273 PolarHBondContact O-N 3.31Å
271K95.6Very high97.6Very high151 Ų15163.8 Ų63.866%0.65731%0.31SS*.G310 helixtrans-55.5-23.917673.5-172.3177.7179.80113.8P268 T269P268-K271 WeakPolarHBondContact O-CD 3.4Å; P268-K271 VanDerWaalsContact O-CG 3.26Å; P268-K271 WeakPolarHBondContact O-CG 3.35Å; P268-K271 PolarHBondContact O-N 2.87Å; T269-K271 PolarHBondContact O-N 2.83Å; T269-K271 VanDerWaalsContact O-N 3.14Å
272N94.2Very high97.6Very high126 Ų12658.9 Ų58.967%0.67429%0.287SS*.G310 helixtrans-99.2-3.2178.3-61.4-34.8000112.9T269 L270T269-N272 PolarHBondContact O-N 2.92Å; L270-N272 PolarHBondContact O-N 2.9Å
273A98Very high97.6Very high11 Ų1160 Ų609%0.09129%0.288CS..PPolyproline II helixtrans-74.5136-179.600000110.4V205 A207 W209 L270V205-A273 HydrophobicContact CB-CB 4.11Å; V205-A273 HydrophobicContact CG2-CB 4.2Å; A207-A273 HydrophobicContact CB-CB 3.94Å; W209-A273 HydrophobicContact CH2-CB 4.16Å; W209-A273 HydrophobicContact CZ2-CB 4.22Å; L270-A273 HydrophobicContact CD2-CB 4.12Å; L270-A273 VanDerWaalsContact O-CB 3.22Å; L270-A273 WeakPolarHBondContact O-CB 2.99Å; L270-A273 PolarHBondContact O-N 3.31Å
274R98.1Very high97.6Very high157 Ų15760.7 Ų60.759%0.59229%0.293SS*.EExtended strand (participates in β ladder)trans-81.9126.8175.7178.6176.459.7123.10.4109.5V205 D206 I276V205-R274 CarbonylContact C-O 2.99Å; V205-R274 WeakPolarHBondContact CA-O 3.46Å; D206-R274 HydrophobicContact CB-CB 4.21Å; D206-R274 PolarHBondContact N-O 2.94Å; D206-R274 IonicContact OD2-CZ 3.79Å; D206-R274 IonicContact OD2-NE 3.7Å; D206-R274 IonicContact OD2-NH2 2.96Å; D206-R274 PolarHBondContact OD2-NH2 3.19Å; R274-I276 PolarHBondContact O-N 3.45Å
275I97.9Very high97.6Very high68 Ų6860.9 Ų60.935%0.34929%0.293SS..EExtended strand (participates in β ladder)trans-69.3123.1172.1-59.9166.5000108.8M203 V205 W260M203-I275 HydrophobicContact CE-CD1 3.45Å; M203-I275 VanDerWaalsContact CE-CD1 3.45Å; M203-I275 HydrophobicContact CE-CG1 3.88Å; M203-I275 HydrophobicContact CE-CG2 4.18Å; V205-I275 HydrophobicContact CG1-CG1 4.25Å; W260-I275 HydrophobicContact CE3-CD1 4.18Å; W260-I275 HydrophobicContact CE3-CG1 4.34Å; W260-I275 HydrophobicContact CH2-CD1 4.4Å; W260-I275 HydrophobicContact CH2-CG1 4.23Å; W260-I275 HydrophobicContact CZ3-CD1 4.02Å; W260-I275 HydrophobicContact CZ3-CG1 3.79Å
276I97.8Very high97.6Very high80 Ų8054.5 Ų54.541%0.4127%0.269SS..EExtended strand (participates in β ladder)trans-91.6-35178.7-61.6-60.5000111K204 D206 T235 R274K204-I276 HydrophobicContact CB-CB 4.39Å; K204-I276 WeakPolarHBondContact O-CB 3.33Å; K204-I276 PolarHBondContact O-N 2.94Å; D206-I276 HydrophobicContact CB-CD1 3.99Å; D206-I276 HydrophobicContact CB-CG1 4.05Å; T235-I276 HydrophobicContact CG2-CG1 4.22Å; T235-I276 HydrophobicContact CG2-CG2 4.42Å; R274-I276 PolarHBondContact O-N 3.45Å
277G97.4Very high97.6Very high20 Ų2057.1 Ų57.121%0.20629%0.287CS..EExtended strand (participates in β ladder)trans171.1170.4174.200000113.2K204K204-G277 PolarHBondContact N-O 3.08Å; K204-G277 PolarHBondContact O-N 3.43Å
278E97.9Very high97.6Very high36 Ų3659.4 Ų59.417%0.16830%0.298CS..EExtended strand (participates in β ladder)trans-128.4143.5-178.8-68.6179.2-131.200110.9Q201 I202 M203 N251 H256Q201-E278 PolarHBondContact NE2-OE2 2.92Å; I202-E278 WeakPolarHBondContact O-CA 3.25Å; M203-E278 HydrophobicContact CB-CG 4.21Å; M203-E278 HydrophobicContact CE-CG 4.35Å; M203-E278 HydrophobicContact CG-CG 3.91Å; N251-E278 WeakPolarHBondContact ND2-CB 3.32Å; N251-E278 PolarHBondContact ND2-O 3.33Å; N251-E278 VanDerWaalsContact ND2-O 3.09Å; H256-E278 IonicContact CE1-OE1 3.1Å; H256-E278 PolarHBondContact CE1-OE1 3.17Å; H256-E278 IonicContact CG-OE1 3.96Å; H256-E278 IonicContact CG-OE2 3.89Å; H256-E278 IonicContact ND1-OE1 2.67Å; H256-E278 PolarHBondContact ND1-OE1 3.31Å; H256-E278 IonicContact ND1-OE2 3.16Å; H256-E278 PolarHBondContact ND1-OE2 3.31Å; H256-E278 VanDerWaalsContact ND1-OE2 3.16Å
279R97.4Very high97.6Very high150 Ų15055.8 Ų55.857%0.56627%0.274SS*.EExtended strand (participates in β ladder)trans-142.6146.3-177.6-63.3-65.3-178.3-91.21.4110.4V47 Q201 I202V47-R279 HydrophobicContact CG1-CB 3.85Å; V47-R279 HydrophobicContact CG2-CB 4.3Å; Q201-R279 WeakPolarHBondContact CA-O 3.31Å; I202-R279 HydrophobicContact CG1-CB 4.28Å; I202-R279 PolarHBondContact N-O 3.39Å; I202-R279 PolarHBondContact O-N 3.41Å
280T98.4Very high97.6Very high22 Ų2254 Ų5414%0.13526%0.261CS..EExtended strand (participates in β ladder)trans-111.3141.6170-67.90000109R199 G200 E249 N251R199-T280 HydrophobicContact CG-CG2 3.72Å; R199-T280 PolarHBondContact NH2-OG1 2.85Å; G200-T280 CarbonylContact O-C 3.54Å; G200-T280 VanDerWaalsContact O-CA 3.31Å; G200-T280 WeakPolarHBondContact O-CA 3.43Å; E249-T280 WeakPolarHBondContact O-CB 3.34Å; N251-T280 PolarHBondContact OD1-N 3.43Å; N251-T280 PolarHBondContact OD1-OG1 2.83Å
281G97.6Very high97.7Very high9 Ų955.1 Ų55.19%0.09327%0.267CS..EExtended strand (participates in β ladder)trans-142.9164.7174.100000111.9R199 G200R199-G281 WeakPolarHBondContact CA-O 3.45Å; G200-G281 PolarHBondContact N-O 2.69Å; G200-G281 PolarHBondContact O-N 2.76Å
282F98.5Very high97.8Very high9 Ų952 Ų524%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-116.9108.7-177.6-57.4-66.9000111.1T44 V184 W185 P197 R199 N246 W247 E249T44-F282 WeakPolarHBondContact CG2-O 3.44Å; T44-F282 PolarHBondContact OG1-O 3.5Å; V184-F282 HydrophobicContact CB-CB 4.46Å; V184-F282 HydrophobicContact CG1-CB 3.92Å; V184-F282 HydrophobicContact CG2-CB 4.41Å; W185-F282 HydrophobicContact CZ2-CD2 4.18Å; P197-F282 HydrophobicContact CB-CB 4.23Å; P197-F282 HydrophobicContact CB-CD1 3.83Å; P197-F282 HydrophobicContact CB-CG 4.32Å; R199-F282 HydrophobicContact CB-CD1 4.04Å; R199-F282 HydrophobicContact CB-CE1 4.06Å; R199-F282 HydrophobicContact CG-CD1 4.28Å; R199-F282 HydrophobicContact CG-CE1 3.93Å; N246-F282 WeakPolarHBondContact O-CE1 3.5Å; W247-F282 WeakPolarHBondContact O-CZ 3.4Å; E249-F282 HydrophobicContact CB-CE2 4.18Å; E249-F282 HydrophobicContact CB-CZ 4.1Å; E249-F282 HydrophobicContact CG-CE2 3.69Å; E249-F282 HydrophobicContact CG-CZ 3.75Å
283R98.5Very high98Very high34 Ų3449 Ų4913%0.12823%0.234CC..EExtended strand (participates in β ladder)trans-66.9129.4171.1-64.3173.1-173.9101.2-5.1108.8G198 I241 F242 V285 G312G198-R283 PolarHBondContact N-O 3.5Å; G198-R283 WeakPolarHBondContact O-CB 3.33Å; G198-R283 WeakPolarHBondContact O-CG 3.34Å; G198-R283 PolarHBondContact O-N 3.17Å; I241-R283 PolarHBondContact O-NH1 2.86Å; I241-R283 VanDerWaalsContact O-NH1 3.16Å; F242-R283 HydrophobicContact CE2-CG 4.46Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.06Å; R283-V285 PolarHBondContact O-N 2.87Å; R283-G312 WeakPolarHBondContact CB-O 3.49Å
284P98.5Very high98Very high16 Ų1651.2 Ų51.210%0.10424%0.242CC..EExtended strand (participates in β ladder)trans-75.477.717730.6-36.6000110.9V184 L195 G310 H311 G312V184-P284 HydrophobicContact CB-CB 4.03Å; L195-P284 HydrophobicContact CD1-CB 4.02Å; P284-G310 CarbonylContact O-C 3.54Å; P284-G310 WeakPolarHBondContact O-CA 3.48Å; P284-H311 PolarHBondContact O-N 3.1Å; P284-G312 WeakPolarHBondContact CD-O 3.33Å; P284-G312 WeakPolarHBondContact O-CA 3.34Å; P284-G312 PolarHBondContact O-N 3.12Å
285V98.4Very high97.8Very high27 Ų2748.6 Ų48.616%0.16424%0.237CC..EExtended strand (participates in β ladder)trans-78.1128-173.4-175.20000110.5L195 Q196 F242 L244 R283L195-V285 CarbonylContact C-O 3.49Å; L195-V285 WeakPolarHBondContact CA-O 3.46Å; Q196-V285 PolarHBondContact N-O 3.08Å; Q196-V285 WeakPolarHBondContact O-CB 3.32Å; Q196-V285 PolarHBondContact O-N 3.45Å; F242-V285 HydrophobicContact CE1-CG2 3.74Å; F242-V285 HydrophobicContact CZ-CG2 3.46Å; F242-V285 VanDerWaalsContact CZ-CG2 3.46Å; L244-V285 HydrophobicContact CD2-CB 3.88Å; L244-V285 HydrophobicContact CD2-CG1 3.76Å; L244-V285 HydrophobicContact CD2-CG2 3.85Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.06Å; R283-V285 PolarHBondContact O-N 2.87Å
286R98.1Very high97.5Very high35 Ų3547.1 Ų47.113%0.13223%0.229CC..EExtended strand (participates in β ladder)trans-144.4151.2174.8-162.1171.4-179.1-83.51.2107.8D192 L194 L195 Q288D192-R286 IonicContact OD1-NE 2.79Å; D192-R286 IonicContact OD1-NH2 3.74Å; D192-R286 IonicContact OD2-CZ 3.29Å; D192-R286 IonicContact OD2-NE 3.53Å; D192-R286 PolarHBondContact OD2-NE 2.97Å; D192-R286 IonicContact OD2-NH2 3.95Å; D192-R286 PolarHBondContact OD2-NH2 3.24Å; L194-R286 HydrophobicContact CB-CG 3.97Å; L195-R286 HydrophobicContact CD1-CB 4.3Å; R286-Q288 WeakPolarHBondContact CD-O 3.43Å; R286-Q288 VanDerWaalsContact CG-O 3.29Å; R286-Q288 WeakPolarHBondContact CG-O 3.42Å; R286-Q288 PolarHBondContact NH1-O 2.88Å; R286-Q288 PolarHBondContact O-N 2.87Å; R286-Q288 VanDerWaalsContact O-N 3.16Å
287P96.6Very high96.9Very high72 Ų7252.9 Ų52.947%0.46825%0.246SC..EExtended strand (participates in β ladder)trans-58-27.8178.8-2836000114.3N60 L194N60-P287 PolarHBondContact ND2-O 2.81Å; L194-P287 WeakPolarHBondContact O-CD 3.38Å
288Q97Very high95.8Very high86 Ų8652.5 Ų52.540%0.40224%0.24SC..EExtended strand (participates in β ladder)trans-151.7155.9169.465.8-174.551.100108.7N61 E64 R286 R290N61-Q288 HydrophobicContact CB-CB 4.25Å; E64-Q288 WeakPolarHBondContact OE1-CA 3.43Å; R286-Q288 WeakPolarHBondContact CD-O 3.43Å; R286-Q288 VanDerWaalsContact CG-O 3.29Å; R286-Q288 WeakPolarHBondContact CG-O 3.42Å; R286-Q288 PolarHBondContact NH1-O 2.88Å; R286-Q288 PolarHBondContact O-N 2.87Å; R286-Q288 VanDerWaalsContact O-N 3.16Å; Q288-R290 PolarHBondContact O-N 2.84Å
289I98.5Very high94.6Very high4 Ų453.9 Ų53.92%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-59.5137.4175.5-68.7166.5000109.6E64 W67 L291 H311 Y314 I318E64-I289 HydrophobicContact CG-CD1 4.04Å; E64-I289 PolarHBondContact OE1-N 3.22Å; W67-I289 HydrophobicContact CE3-CD1 4.31Å; W67-I289 HydrophobicContact CZ3-CB 4.25Å; W67-I289 HydrophobicContact CZ3-CD1 4.27Å; W67-I289 HydrophobicContact CZ3-CG2 4.28Å; I289-L291 HydrophobicContact CG2-CB 4Å; I289-L291 PolarHBondContact O-N 3.01Å; I289-H311 HydrophobicContact CD1-CB 4.44Å; I289-H311 VanDerWaalsContact CD1-CD2 3.46Å; I289-H311 WeakPolarHBondContact CD1-CD2 3.48Å; I289-H311 HydrophobicContact CG1-CB 4.48Å; I289-Y314 HydrophobicContact CD1-CE2 3.83Å; I289-Y314 HydrophobicContact CG1-CE2 4.46Å; I289-I318 HydrophobicContact CD1-CD1 3.65Å; I289-I318 HydrophobicContact CD1-CG2 4.15Å
290R98.6Very high93.4Very high20 Ų2053.5 Ų53.58%0.07528%0.28CS..EExtended strand (participates in β ladder)trans-89.694.9167.9-164-177.4-174.4-157.6-12.5108.3Q288 E292 E294 H307 N308 Y309Q288-R290 PolarHBondContact O-N 2.84Å; R290-E292 HydrophobicContact CG-CG 4.08Å; R290-E292 IonicContact CZ-OE1 2.87Å; R290-E292 IonicContact NE-OE1 3.55Å; R290-E292 PolarHBondContact NE-OE1 3.34Å; R290-E292 IonicContact NH2-OE1 3.42Å; R290-E292 PolarHBondContact NH2-OE1 2.98Å; R290-E294 IonicContact CZ-OE2 2.7Å; R290-E294 IonicContact NH2-OE2 3.58Å; R290-E294 PolarHBondContact NH2-OE2 2.85Å; R290-H307 HydrophobicContact CG-CB 4.03Å; R290-H307 CarbonylContact O-C 3.06Å; R290-H307 VanDerWaalsContact O-C 3.3Å; R290-N308 WeakPolarHBondContact O-CA 3.32Å; R290-N308 PolarHBondContact O-N 3.45Å; R290-Y309 HydrophobicContact CB-CD2 4.47Å; R290-Y309 HydrophobicContact CB-CE1 4.19Å; R290-Y309 HydrophobicContact CB-CE2 4.1Å; R290-Y309 WeakPolarHBondContact CD-OH 3.45Å; R290-Y309 HydrophobicContact CG-CE1 4.37Å; R290-Y309 PolarHBondContact N-O 2.96Å; R290-Y309 PolarHBondContact NH1-OH 2.91Å; R290-Y309 PolarHBondContact O-N 3.07Å
291L98.7Very high92.3Very high24 Ų2455.4 Ų55.413%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-122.288.4174.5-172.654.9000110.1W67 I289 H307 N308 C322 E325 A326W67-L291 HydrophobicContact CH2-CB 4Å; W67-L291 HydrophobicContact CH2-CD2 3.71Å; W67-L291 HydrophobicContact CH2-CG 4.39Å; W67-L291 HydrophobicContact CZ2-CD2 3.72Å; W67-L291 HydrophobicContact CZ3-CB 4.45Å; W67-L291 HydrophobicContact CZ3-CD2 4.11Å; I289-L291 HydrophobicContact CG2-CB 4Å; I289-L291 PolarHBondContact O-N 3.01Å; L291-H307 VanDerWaalsContact CA-O 3.27Å; L291-H307 WeakPolarHBondContact CA-O 3.31Å; L291-H307 WeakPolarHBondContact CD1-O 3.42Å; L291-N308 HydrophobicContact CD1-CB 3.69Å; L291-C322 HydrophobicContact CD2-CB 4.13Å; L291-E325 HydrophobicContact CD2-CB 3.73Å; L291-E325 HydrophobicContact CD2-CG 3.85Å; L291-E325 HydrophobicContact CG-CG 4.38Å; L291-A326 HydrophobicContact CD1-CB 4.1Å
292E98.5Very high91.8Very high86 Ų8658.9 Ų58.940%0.40231%0.311SS..EExtended strand (participates in β ladder)trans-153.1165-172.669.3-174.6-171.600111.8R290 I306 H307R290-E292 HydrophobicContact CG-CG 4.08Å; R290-E292 IonicContact CZ-OE1 2.87Å; R290-E292 IonicContact NE-OE1 3.55Å; R290-E292 PolarHBondContact NE-OE1 3.34Å; R290-E292 IonicContact NH2-OE1 3.42Å; R290-E292 PolarHBondContact NH2-OE1 2.98Å; E292-I306 CarbonylContact O-C 3Å; E292-I306 WeakPolarHBondContact O-CA 3.32Å; E292-H307 HydrophobicContact CG-CB 4.43Å; E292-H307 PolarHBondContact N-O 3.47Å; E292-H307 PolarHBondContact O-N 3.03Å
293R98.1Very high91.6Very high64 Ų6458.6 Ų58.624%0.24231%0.31CS..EExtended strand (participates in β ladder)trans-99.8136.9174.4175.9-176.1171.5-170.1-0.2110.1E304 V305 I333 E336R293-E304 IonicContact CZ-OE1 2.72Å; R293-E304 IonicContact CZ-OE2 3.91Å; R293-E304 IonicContact NE-OE1 2.71Å; R293-E304 IonicContact NE-OE2 2.76Å; R293-E304 PolarHBondContact NE-OE2 2.87Å; R293-E304 IonicContact NH2-OE1 3.59Å; R293-E304 PolarHBondContact NH2-OE1 2.91Å; R293-E304 IonicContact NH2-OE2 2.81Å; R293-E304 PolarHBondContact NH2-OE2 3.03Å; R293-V305 CarbonylContact C-O 3.56Å; R293-V305 VanDerWaalsContact CA-O 3.29Å; R293-V305 WeakPolarHBondContact CA-O 3.47Å; R293-I333 HydrophobicContact CG-CD1 4.31Å; R293-I333 VanDerWaalsContact CZ-CG1 3.42Å; R293-E336 IonicContact CZ-OE1 2.9Å; R293-E336 IonicContact CZ-OE2 2.71Å; R293-E336 IonicContact NH1-OE1 3.29Å; R293-E336 PolarHBondContact NH1-OE1 3.29Å; R293-E336 IonicContact NH1-OE2 3.22Å; R293-E336 PolarHBondContact NH1-OE2 2.87Å; R293-E336 IonicContact NH2-OE2 3.32Å; R293-E336 PolarHBondContact NH2-OE2 3.36Å
294E97.2Very high91.6Very high57 Ų5757.4 Ų57.427%0.26631%0.306SS..EExtended strand (participates in β ladder)trans-129.9144173.6-173.6174.3158.100109.8Q190 R290 V305 H307Q190-E294 PolarHBondContact NE2-OE1 3.16Å; Q190-E294 PolarHBondContact NE2-OE2 2.91Å; Q190-E294 PolarHBondContact OE1-OE2 3.2Å; R290-E294 IonicContact CZ-OE2 2.7Å; R290-E294 IonicContact NH2-OE2 3.58Å; R290-E294 PolarHBondContact NH2-OE2 2.85Å; E294-V305 HydrophobicContact CB-CB 4.41Å; E294-V305 PolarHBondContact N-O 2.81Å; E294-V305 PolarHBondContact O-N 3.05Å; E294-H307 IonicContact OE2-CD2 3.78Å; E294-H307 IonicContact OE2-NE2 3.47Å; E294-H307 PolarHBondContact OE2-NE2 2.87Å
295Q94.7Very high91.6Very high101 Ų10156.7 Ų56.747%0.47230%0.302SS..EExtended strand (participates in β ladder)trans-100.3119.4175.5-76.2-175.9-24.700110.5E304Q295-E304 WeakPolarHBondContact CG-OE2 3.4Å; Q295-E304 PolarHBondContact NE2-OE1 2.79Å
296L90.4Very high91.6Very high38 Ų3855.4 Ų55.420%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-98.4120.1175.2-169.476.8000110.1F167 A171 T298 T303 V305F167-L296 HydrophobicContact CB-CD2 3.56Å; A171-L296 HydrophobicContact CB-CD2 4.46Å; L296-T298 HydrophobicContact CD2-CG2 3.49Å; L296-T298 VanDerWaalsContact CD2-CG2 3.49Å; L296-T298 HydrophobicContact CG-CG2 3.75Å; L296-T303 PolarHBondContact N-O 2.91Å; L296-T303 PolarHBondContact O-N 2.88Å; L296-V305 HydrophobicContact CB-CG2 4.12Å
297R85.7Confident91.6Very high200 Ų20053.8 Ų53.876%0.75529%0.287SS*.EExtended strand (participates in β ladder)trans-91.7104.8173.5-64.6-173.9-176.9-176.61109.6
298T74Confident91.7Very high13 Ų1350.3 Ų50.38%0.0827%0.265CS..EExtended strand (participates in β ladder)trans-117.895.6176.154.50000108.8E168 A171 L296 S301E168-T298 HydrophobicContact CB-CG2 4.15Å; E168-T298 HydrophobicContact CG-CG2 3.78Å; A171-T298 HydrophobicContact CB-CG2 3.96Å; L296-T298 HydrophobicContact CD2-CG2 3.49Å; L296-T298 VanDerWaalsContact CD2-CG2 3.49Å; L296-T298 HydrophobicContact CG-CG2 3.75Å; T298-S301 PolarHBondContact N-O 2.9Å; T298-S301 PolarHBondContact O-OG 2.79Å
299G74.2Confident91.8Very high65 Ų6546.3 Ų46.367%0.6725%0.246SC*.THydrogen-bonded Turntrans64.5-136-175.400000112.3S301G299-S301 VanDerWaalsContact C-N 3.32Å; G299-S301 PolarHBondContact O-N 2.99Å
300P72.2Confident91.8Very high141 Ų14146.1 Ų46.192%0.91625%0.245SC*.THydrogen-bonded Turntrans-79.7-10.4-175.532.7-35.4000114.2
301S74.3Confident91.8Very high62 Ų6245.2 Ų45.243%0.43424%0.242SC..EExtended strand (participates in β ladder)trans-109136.2-176.552.80000112T298 G299T298-S301 PolarHBondContact N-O 2.9Å; T298-S301 PolarHBondContact O-OG 2.79Å; G299-S301 VanDerWaalsContact C-N 3.32Å; G299-S301 PolarHBondContact O-N 2.99Å
302N87.7Confident91.8Very high82 Ų8244.4 Ų44.444%0.43924%0.24SC..EExtended strand (participates in β ladder)trans-87123.4169.5-70.6-4.2000109.7
303T94.5Very high91.7Very high3 Ų341.6 Ų41.62%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-101.7133.3170.5-57.80000108.6A171 A175 I178 L296A171-T303 HydrophobicContact CB-CG2 4.08Å; A171-T303 VanDerWaalsContact CB-OG1 3.27Å; A171-T303 WeakPolarHBondContact CB-OG1 3.39Å; A175-T303 WeakPolarHBondContact O-CG2 3.5Å; I178-T303 HydrophobicContact CD1-CG2 3.8Å; I178-T303 HydrophobicContact CG1-CG2 3.92Å; L296-T303 PolarHBondContact N-O 2.91Å; L296-T303 PolarHBondContact O-N 2.88Å
304E97.2Very high91.7Very high9 Ų939.5 Ų39.54%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-89.3136.9176-63.9-68.3171.300109.5D176 V177 I178 R293 Q295 I333D176-E304 PolarHBondContact O-N 3.18Å; V177-E304 CarbonylContact C-O 3.5Å; V177-E304 VanDerWaalsContact CA-O 3.27Å; V177-E304 WeakPolarHBondContact CA-O 3.33Å; V177-E304 HydrophobicContact CG1-CB 4.38Å; V177-E304 HydrophobicContact CG2-CB 4.23Å; I178-E304 PolarHBondContact N-O 2.87Å; R293-E304 IonicContact CZ-OE1 2.72Å; R293-E304 IonicContact CZ-OE2 3.91Å; R293-E304 IonicContact NE-OE1 2.71Å; R293-E304 IonicContact NE-OE2 2.76Å; R293-E304 PolarHBondContact NE-OE2 2.87Å; R293-E304 IonicContact NH2-OE1 3.59Å; R293-E304 PolarHBondContact NH2-OE1 2.91Å; R293-E304 IonicContact NH2-OE2 2.81Å; R293-E304 PolarHBondContact NH2-OE2 3.03Å; Q295-E304 WeakPolarHBondContact CG-OE2 3.4Å; Q295-E304 PolarHBondContact NE2-OE1 2.79Å; E304-I333 HydrophobicContact CB-CD1 3.83Å; E304-I333 HydrophobicContact CB-CG1 4.38Å; E304-I333 HydrophobicContact CB-CG2 4.43Å; E304-I333 HydrophobicContact CG-CD1 4.19Å; E304-I333 HydrophobicContact CG-CG1 4.17Å; E304-I333 HydrophobicContact CG-CG2 3.9Å
305V98.3Very high91.8Very high2 Ų237.4 Ų37.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-116.8130.2174.2-174.60000108.5F167 I178 N180 R293 E294 L296F167-V305 HydrophobicContact CE1-CG1 4.5Å; I178-V305 HydrophobicContact CB-CG2 4.38Å; I178-V305 CarbonylContact O-C 3.51Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.47Å; N180-V305 HydrophobicContact CB-CG1 4.33Å; R293-V305 CarbonylContact C-O 3.56Å; R293-V305 VanDerWaalsContact CA-O 3.29Å; R293-V305 WeakPolarHBondContact CA-O 3.47Å; E294-V305 HydrophobicContact CB-CB 4.41Å; E294-V305 PolarHBondContact N-O 2.81Å; E294-V305 PolarHBondContact O-N 3.05Å; L296-V305 HydrophobicContact CB-CG2 4.12Å
306I98.8Very high92Very high0 Ų033.3 Ų33.30%020%0.201CC..EExtended strand (participates in β ladder)trans-110.9111.3168.8-57.2174.1000106.9V177 I178 V179 N180 E292 A326 L329 F330 I333V177-I306 HydrophobicContact CG1-CD1 4.17Å; V177-I306 HydrophobicContact CG1-CG1 4.32Å; I178-I306 PolarHBondContact O-N 3.09Å; V179-I306 CarbonylContact C-O 3.48Å; V179-I306 WeakPolarHBondContact CA-O 3.32Å; V179-I306 HydrophobicContact CG1-CB 4.47Å; N180-I306 PolarHBondContact N-O 3.01Å; E292-I306 CarbonylContact O-C 3Å; E292-I306 WeakPolarHBondContact O-CA 3.32Å; I306-A326 HydrophobicContact CG2-CB 4.22Å; I306-L329 HydrophobicContact CD1-CB 4.21Å; I306-L329 HydrophobicContact CG2-CD1 4.08Å; I306-F330 HydrophobicContact CD1-CB 3.96Å; I306-I333 HydrophobicContact CD1-CD1 3.89Å; I306-I333 HydrophobicContact CG1-CD1 3.98Å
307H98.9Very high92.4Very high0 Ų031.6 Ų31.60%019%0.192CC..EExtended strand (participates in β ladder)trans-78.1136.6172.7-62.3-73.2000109.6N180 R290 L291 E292 E294 Y309N180-H307 PolarHBondContact ND2-ND1 2.84Å; R290-H307 HydrophobicContact CG-CB 4.03Å; R290-H307 CarbonylContact O-C 3.06Å; R290-H307 VanDerWaalsContact O-C 3.3Å; L291-H307 VanDerWaalsContact CA-O 3.27Å; L291-H307 WeakPolarHBondContact CA-O 3.31Å; L291-H307 WeakPolarHBondContact CD1-O 3.42Å; E292-H307 HydrophobicContact CG-CB 4.43Å; E292-H307 PolarHBondContact N-O 3.47Å; E292-H307 PolarHBondContact O-N 3.03Å; E294-H307 IonicContact OE2-CD2 3.78Å; E294-H307 IonicContact OE2-NE2 3.47Å; E294-H307 PolarHBondContact OE2-NE2 2.87Å; H307-Y309 HydrophobicContact CB-CD1 4.17Å; H307-Y309 HydrophobicContact CB-CE1 3.91Å; H307-Y309 AromaticContact ND1-CE1 3.65Å
308N98.9Very high93Very high0 Ų022.1 Ų22.10%016%0.156CC..EExtended strand (participates in β ladder)trans-147.681.2170.1-171.11.8000108.3I11 T15 N180 C181 R290 L291 H311I11-N308 HydrophobicContact CG2-CB 4.06Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.08Å; I11-N308 VanDerWaalsContact CG2-O 3.31Å; I11-N308 WeakPolarHBondContact CG2-O 3.41Å; T15-N308 PolarHBondContact OG1-ND2 3.31Å; N180-N308 CarbonylContact O-C 3.53Å; N180-N308 PolarHBondContact O-N 2.79Å; C181-N308 WeakPolarHBondContact CA-O 3.47Å; R290-N308 WeakPolarHBondContact O-CA 3.32Å; R290-N308 PolarHBondContact O-N 3.45Å; L291-N308 HydrophobicContact CD1-CB 3.69Å; N308-H311 PolarHBondContact O-CE1 3Å; N308-H311 PolarHBondContact OD1-CE1 3.01Å; N308-H311 PolarHBondContact OD1-NE2 3.22Å
309Y98.9Very high94.2Very high1 Ų121.5 Ų21.50%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-150.7172.9179.368.1-96.1000111.5A186 D192 L195 R290 H307 H311A186-Y309 HydrophobicContact CB-CD1 3.76Å; A186-Y309 HydrophobicContact CB-CD2 3.63Å; A186-Y309 HydrophobicContact CB-CE1 3.71Å; A186-Y309 HydrophobicContact CB-CE2 3.61Å; A186-Y309 HydrophobicContact CB-CG 3.71Å; D192-Y309 VanDerWaalsContact OD2-CE2 3.27Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.15Å; D192-Y309 PolarHBondContact OD2-OH 3.42Å; L195-Y309 HydrophobicContact CD1-CD2 4.3Å; L195-Y309 HydrophobicContact CD2-CD2 3.99Å; L195-Y309 HydrophobicContact CD2-CE2 3.94Å; R290-Y309 HydrophobicContact CB-CD2 4.47Å; R290-Y309 HydrophobicContact CB-CE1 4.19Å; R290-Y309 HydrophobicContact CB-CE2 4.1Å; R290-Y309 WeakPolarHBondContact CD-OH 3.45Å; R290-Y309 HydrophobicContact CG-CE1 4.37Å; R290-Y309 PolarHBondContact N-O 2.96Å; R290-Y309 PolarHBondContact NH1-OH 2.91Å; R290-Y309 PolarHBondContact O-N 3.07Å; H307-Y309 HydrophobicContact CB-CD1 4.17Å; H307-Y309 HydrophobicContact CB-CE1 3.91Å; H307-Y309 AromaticContact ND1-CE1 3.65Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.37Å; Y309-H311 PolarHBondContact N-CE1 3.45Å
310G98.6Very high95.3Very high0 Ų019.4 Ų19.40%012%0.124CC..EExtended strand (participates in β ladder)trans93.525178.200000114.8P284 G312P284-G310 CarbonylContact O-C 3.54Å; P284-G310 WeakPolarHBondContact O-CA 3.48Å; G310-G312 VanDerWaalsContact C-N 3.25Å; G310-G312 PolarHBondContact O-N 3.18Å
311H98.6Very high96.6Very high2 Ų212.7 Ų12.71%0.0098%0.081CC..EExtended strand (participates in β ladder)trans-79.79.9-174.4-46.679.1000115.8P284 I289 N308 Y309 G313 Y314 G315 I318P284-H311 PolarHBondContact O-N 3.1Å; I289-H311 HydrophobicContact CD1-CB 4.44Å; I289-H311 VanDerWaalsContact CD1-CD2 3.46Å; I289-H311 WeakPolarHBondContact CD1-CD2 3.48Å; I289-H311 HydrophobicContact CG1-CB 4.48Å; N308-H311 PolarHBondContact O-CE1 3Å; N308-H311 PolarHBondContact OD1-CE1 3.01Å; N308-H311 PolarHBondContact OD1-NE2 3.22Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.37Å; Y309-H311 PolarHBondContact N-CE1 3.45Å; H311-G313 PolarHBondContact O-N 3.41Å; H311-Y314 WeakPolarHBondContact O-CD1 3.27Å; H311-Y314 VanDerWaalsContact O-CE1 3.28Å; H311-Y314 WeakPolarHBondContact O-CE1 3.42Å; H311-Y314 PolarHBondContact O-N 2.92Å; H311-Y314 VanDerWaalsContact O-N 3.09Å; H311-G315 PolarHBondContact O-N 3.25Å; H311-I318 HydrophobicContact CB-CG2 4.34Å
312G97.8Very high97.8Very high7 Ų79.7 Ų9.77%0.0726%0.06CC..THydrogen-bonded Turntrans48.2-131.9177.800000113.9R283 P284 G310R283-G312 WeakPolarHBondContact CB-O 3.49Å; P284-G312 WeakPolarHBondContact CD-O 3.33Å; P284-G312 WeakPolarHBondContact O-CA 3.34Å; P284-G312 PolarHBondContact O-N 3.12Å; G310-G312 VanDerWaalsContact C-N 3.25Å; G310-G312 PolarHBondContact O-N 3.18Å
313G97.4Very high98.3Very high27 Ų275.8 Ų5.828%0.2784%0.039SC..THydrogen-bonded Turntrans-88.26.3178.700000115.3Y55 H311Y55-G313 PolarHBondContact OH-N 3.39Å; H311-G313 PolarHBondContact O-N 3.41Å
314Y97.6Very high98.5Very high19 Ų198.4 Ų8.48%0.0755%0.053CC..  trans-124.322.7-171.857.2-81.4000112.4Y55 E64 I289 H311 L316 T317 I318Y55-Y314 AromaticContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD2-CD1 4.11Å; Y55-Y314 HydrophobicContact CD2-CE1 4.01Å; Y55-Y314 AromaticContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CE1 4.26Å; Y55-Y314 HydrophobicContact CE1-CG 4.45Å; Y55-Y314 AromaticContact CE2-CD1 3.72Å; Y55-Y314 HydrophobicContact CE2-CD1 3.72Å; Y55-Y314 AromaticContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CG-CD1 4.24Å; Y55-Y314 AromaticContact CZ-CD1 3.44Å; Y55-Y314 VanDerWaalsContact CZ-CD1 3.44Å; Y55-Y314 AromaticContact CZ-CE1 3.73Å; E64-Y314 WeakPolarHBondContact OE2-CE2 3.3Å; E64-Y314 PolarHBondContact OE2-OH 3.12Å; I289-Y314 HydrophobicContact CD1-CE2 3.83Å; I289-Y314 HydrophobicContact CG1-CE2 4.46Å; H311-Y314 WeakPolarHBondContact O-CD1 3.27Å; H311-Y314 VanDerWaalsContact O-CE1 3.28Å; H311-Y314 WeakPolarHBondContact O-CE1 3.42Å; H311-Y314 PolarHBondContact O-N 2.92Å; H311-Y314 VanDerWaalsContact O-N 3.09Å; Y314-L316 PolarHBondContact O-N 3.16Å; Y314-T317 WeakPolarHBondContact O-CA 3.38Å; Y314-T317 VanDerWaalsContact O-CB 3.25Å; Y314-T317 WeakPolarHBondContact O-CB 3.21Å; Y314-T317 PolarHBondContact O-N 2.94Å; Y314-I318 HydrophobicContact CD2-CB 4.09Å; Y314-I318 HydrophobicContact CD2-CD1 4.02Å; Y314-I318 HydrophobicContact CD2-CG2 3.9Å; Y314-I318 HydrophobicContact CE2-CD1 3.79Å; Y314-I318 HydrophobicContact CE2-CG2 4.28Å; Y314-I318 VanDerWaalsContact O-CG2 3.31Å; Y314-I318 WeakPolarHBondContact O-CG2 3.4Å; Y314-I318 PolarHBondContact O-N 3.08Å; Y314-I318 VanDerWaalsContact O-N 3.1Å
315G98.5Very high98.6Very high14 Ų149.5 Ų9.514%0.1446%0.058CC..Hα-helixtrans-55.5-43.3178.700000114.1H311 H319H311-G315 PolarHBondContact O-N 3.25Å; G315-H319 VanDerWaalsContact O-CB 3.3Å; G315-H319 WeakPolarHBondContact O-CB 3.25Å; G315-H319 PolarHBondContact O-N 3.41Å; G315-H319 VanDerWaalsContact O-N 3.1Å
316L98.7Very high98.6Very high14 Ų149.4 Ų9.47%0.0736%0.057CC..Hα-helixtrans-66.1-39.2174-71.8171.7000111.9V10 T45 A48 L139 Y314 I318 H319V10-L316 HydrophobicContact CB-CD2 4.19Å; V10-L316 HydrophobicContact CG1-CD2 4.25Å; V10-L316 HydrophobicContact CG2-CD2 4.04Å; T45-L316 HydrophobicContact CG2-CD2 4.08Å; A48-L316 HydrophobicContact CB-CD1 3.56Å; A48-L316 HydrophobicContact CB-CG 4.38Å; L139-L316 HydrophobicContact CD2-CD2 3.99Å; L139-L316 HydrophobicContact CG-CD2 4.33Å; L139-L316 WeakPolarHBondContact O-CD1 3.4Å; Y314-L316 PolarHBondContact O-N 3.16Å; L316-I318 PolarHBondContact O-N 2.82Å; L316-H319 PolarHBondContact O-ND1 3.41Å
317T98.8Very high98.6Very high3 Ų39.4 Ų9.42%0.0186%0.057CC..Hα-helixtrans-61.5-29.6-180-49.40000113W52 Q53 P54 T71 Y314W52-T317 HydrophobicContact CD2-CG2 3.79Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.43Å; W52-T317 HydrophobicContact CG-CG2 4.06Å; W52-T317 HydrophobicContact CH2-CG2 4.42Å; W52-T317 HydrophobicContact CZ2-CG2 3.8Å; W52-T317 PolarHBondContact NE1-O 2.72Å; Q53-T317 VanDerWaalsContact C-CG2 3.48Å; Q53-T317 PolarHBondContact N-OG1 3.07Å; Q53-T317 PolarHBondContact O-OG1 3.06Å; Q53-T317 VanDerWaalsContact O-OG1 3.11Å; P54-T317 HydrophobicContact CB-CG2 4.41Å; P54-T317 HydrophobicContact CG-CG2 3.77Å; T71-T317 WeakPolarHBondContact CB-O 3.32Å; T71-T317 WeakPolarHBondContact CG2-O 3.32Å; Y314-T317 WeakPolarHBondContact O-CA 3.38Å; Y314-T317 VanDerWaalsContact O-CB 3.25Å; Y314-T317 WeakPolarHBondContact O-CB 3.21Å; Y314-T317 PolarHBondContact O-N 2.94Å
318I98.8Very high98.6Very high0 Ų013.6 Ų13.60%08%0.076CC..Hα-helixtrans-121.1-5.5-167.7-156.4165.3000114.8E64 W67 T71 I289 H311 Y314 L316 W320 G321 C322E64-I318 HydrophobicContact CB-CD1 3.77Å; E64-I318 HydrophobicContact CG-CD1 4.25Å; E64-I318 VanDerWaalsContact O-CD1 3.3Å; E64-I318 WeakPolarHBondContact O-CD1 3.39Å; W67-I318 HydrophobicContact CB-CD1 4.01Å; W67-I318 HydrophobicContact CB-CG1 3.55Å; W67-I318 HydrophobicContact CE3-CD1 4.14Å; T71-I318 PolarHBondContact OG1-O 2.93Å; I289-I318 HydrophobicContact CD1-CD1 3.65Å; I289-I318 HydrophobicContact CD1-CG2 4.15Å; H311-I318 HydrophobicContact CB-CG2 4.34Å; Y314-I318 HydrophobicContact CD2-CB 4.09Å; Y314-I318 HydrophobicContact CD2-CD1 4.02Å; Y314-I318 HydrophobicContact CD2-CG2 3.9Å; Y314-I318 HydrophobicContact CE2-CD1 3.79Å; Y314-I318 HydrophobicContact CE2-CG2 4.28Å; Y314-I318 VanDerWaalsContact O-CG2 3.31Å; Y314-I318 WeakPolarHBondContact O-CG2 3.4Å; Y314-I318 PolarHBondContact O-N 3.08Å; Y314-I318 VanDerWaalsContact O-N 3.1Å; L316-I318 PolarHBondContact O-N 2.82Å; I318-W320 VanDerWaalsContact C-N 3.31Å; I318-W320 PolarHBondContact O-N 2.87Å; I318-W320 VanDerWaalsContact O-N 3.15Å; I318-G321 PolarHBondContact O-N 3.21Å; I318-C322 PolarHBondContact O-N 2.84Å
319H98.9Very high98.6Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-55-40.6-166.171.6-79.7000114.4V10 I11 Y144 G315 L316 C322 A323V10-H319 HydrophobicContact CG1-CB 4.32Å; V10-H319 HydrophobicContact CG2-CB 3.73Å; I11-H319 HydrophobicContact CD1-CB 3.84Å; Y144-H319 AromaticContact CE1-CD2 3.93Å; Y144-H319 AromaticContact CE1-CE1 3.72Å; Y144-H319 AromaticContact CE1-NE2 3.36Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.44Å; Y144-H319 AromaticContact CZ-NE2 3.5Å; Y144-H319 PolarHBondContact OH-NE2 3.07Å; G315-H319 VanDerWaalsContact O-CB 3.3Å; G315-H319 WeakPolarHBondContact O-CB 3.25Å; G315-H319 PolarHBondContact O-N 3.41Å; G315-H319 VanDerWaalsContact O-N 3.1Å; L316-H319 PolarHBondContact O-ND1 3.41Å; H319-C322 PolarHBondContact O-N 3.01Å; H319-A323 WeakPolarHBondContact O-CB 3.15Å; H319-A323 PolarHBondContact O-N 2.63Å
320W98.8Very high98.6Very high21 Ų2114.4 Ų14.48%0.088%0.08CC..Hα-helixtrans-76.7-40.3-170.9-167.8-107.7000111.7C18 T71 Y74 I318 C322 A323 L324C18-W320 HydrophobicContact CB-CH2 4.23Å; C18-W320 HydrophobicContact CB-CZ3 4.36Å; T71-W320 HydrophobicContact CG2-CB 4.06Å; T71-W320 PolarHBondContact OG1-N 3.43Å; Y74-W320 HydrophobicContact CD1-CB 3.98Å; Y74-W320 AromaticContact CD1-CD1 3.9Å; Y74-W320 AromaticContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CE3 4.39Å; Y74-W320 AromaticContact CD1-CG 3.62Å; Y74-W320 HydrophobicContact CD1-CG 3.62Å; Y74-W320 AromaticContact CD2-CD1 3.66Å; Y74-W320 AromaticContact CD2-CD2 3.92Å; Y74-W320 HydrophobicContact CD2-CD2 3.92Å; Y74-W320 AromaticContact CD2-CE2 3.43Å; Y74-W320 VanDerWaalsContact CD2-CE2 3.43Å; Y74-W320 HydrophobicContact CD2-CG 4.05Å; Y74-W320 AromaticContact CD2-CZ2 3.92Å; Y74-W320 HydrophobicContact CD2-CZ2 3.92Å; Y74-W320 AromaticContact CD2-NE1 3.24Å; Y74-W320 AromaticContact CE1-CD2 3.85Å; Y74-W320 HydrophobicContact CE1-CD2 3.85Å; Y74-W320 AromaticContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CG 4.13Å; Y74-W320 HydrophobicContact CE1-CZ3 4.49Å; Y74-W320 AromaticContact CE2-CD2 3.91Å; Y74-W320 HydrophobicContact CE2-CD2 3.91Å; Y74-W320 AromaticContact CE2-CE2 3.44Å; Y74-W320 VanDerWaalsContact CE2-CE2 3.44Å; Y74-W320 HydrophobicContact CE2-CE3 4.34Å; Y74-W320 HydrophobicContact CE2-CG 4.48Å; Y74-W320 AromaticContact CE2-CH2 3.99Å; Y74-W320 HydrophobicContact CE2-CH2 3.99Å; Y74-W320 AromaticContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ2 3.5Å; Y74-W320 VanDerWaalsContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ3 4.39Å; Y74-W320 AromaticContact CE2-NE1 3.79Å; Y74-W320 HydrophobicContact CG-CB 4.29Å; Y74-W320 AromaticContact CG-CD1 3.35Å; Y74-W320 AromaticContact CG-CD2 3.87Å; Y74-W320 HydrophobicContact CG-CD2 3.87Å; Y74-W320 AromaticContact CG-CE2 3.84Å; Y74-W320 AromaticContact CG-CG 3.58Å; Y74-W320 HydrophobicContact CG-CG 3.58Å; Y74-W320 AromaticContact CG-NE1 3.49Å; Y74-W320 AromaticContact CZ-CD2 3.88Å; Y74-W320 AromaticContact CZ-CE2 3.9Å; Y74-W320 AromaticContact CZ-CE3 3.94Å; Y74-W320 AromaticContact CZ-CZ2 3.99Å; I318-W320 VanDerWaalsContact C-N 3.31Å; I318-W320 PolarHBondContact O-N 2.87Å; I318-W320 VanDerWaalsContact O-N 3.15Å; W320-C322 VanDerWaalsContact C-N 3.32Å; W320-C322 PolarHBondContact O-N 2.76Å; W320-A323 HydrophobicContact CE3-CB 4.48Å; W320-A323 WeakPolarHBondContact O-CB 3.23Å; W320-A323 PolarHBondContact O-N 3.32Å; W320-A323 VanDerWaalsContact O-N 3.15Å; W320-L324 WeakPolarHBondContact O-CG 3.18Å; W320-L324 PolarHBondContact O-N 2.93Å
321G98.8Very high98.5Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-59.5-43.3171.400000112.2W67 T71 I318 A323 L324 E325W67-G321 WeakPolarHBondContact O-CA 3.4Å; T71-G321 PolarHBondContact OG1-N 2.78Å; I318-G321 PolarHBondContact O-N 3.21Å; G321-A323 PolarHBondContact O-N 2.75Å; G321-L324 PolarHBondContact O-N 2.78Å; G321-E325 PolarHBondContact O-N 2.82Å
322C98.9Very high98.5Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-63.6-39.2173.2-68.70000112.5L291 I318 H319 W320 E325 A326L291-C322 HydrophobicContact CD2-CB 4.13Å; I318-C322 PolarHBondContact O-N 2.84Å; H319-C322 PolarHBondContact O-N 3.01Å; W320-C322 VanDerWaalsContact C-N 3.32Å; W320-C322 PolarHBondContact O-N 2.76Å; C322-E325 PolarHBondContact O-N 3.22Å; C322-A326 WeakPolarHBondContact O-CB 3.49Å; C322-A326 PolarHBondContact O-N 3.3Å
323A98.9Very high98.4Very high0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-63.9-40.4176.400000111.9C18 H319 W320 G321 A326 A327C18-A323 HydrophobicContact CB-CB 3.88Å; H319-A323 WeakPolarHBondContact O-CB 3.15Å; H319-A323 PolarHBondContact O-N 2.63Å; W320-A323 HydrophobicContact CE3-CB 4.48Å; W320-A323 WeakPolarHBondContact O-CB 3.23Å; W320-A323 PolarHBondContact O-N 3.32Å; W320-A323 VanDerWaalsContact O-N 3.15Å; G321-A323 PolarHBondContact O-N 2.75Å; A323-A326 PolarHBondContact O-N 3.41Å; A323-A327 WeakPolarHBondContact O-CB 3.24Å; A323-A327 PolarHBondContact O-N 2.73Å
324L98.8Very high98.3Very high58 Ų5819.1 Ų19.130%0.3049%0.089SC..Hα-helixtrans-62.5-45.4174.9-72.9168.3000111.8Q70 W320 G321 A327 K328Q70-L324 HydrophobicContact CB-CD1 4.37Å; W320-L324 WeakPolarHBondContact O-CG 3.18Å; W320-L324 PolarHBondContact O-N 2.93Å; G321-L324 PolarHBondContact O-N 2.78Å; L324-A327 PolarHBondContact O-N 2.96Å; L324-K328 PolarHBondContact O-N 3.34Å
325E98.8Very high98.1Very high31 Ų3124.3 Ų24.315%0.14511%0.114CC..Hα-helixtrans-69.7-38178.1-175.466.6-148.400111.6W67 L291 G321 C322 A327 K328 L329W67-E325 HydrophobicContact CZ2-CB 4.37Å; W67-E325 HydrophobicContact CZ2-CG 4.04Å; L291-E325 HydrophobicContact CD2-CB 3.73Å; L291-E325 HydrophobicContact CD2-CG 3.85Å; L291-E325 HydrophobicContact CG-CG 4.38Å; G321-E325 PolarHBondContact O-N 2.82Å; C322-E325 PolarHBondContact O-N 3.22Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.47Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 3.19Å; E325-K328 VanDerWaalsContact O-N 3.15Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.9Å; E325-K328 WeakPolarHBondContact OE2-CD 3.22Å; E325-K328 IonicContact OE2-NZ 3.18Å; E325-K328 PolarHBondContact OE2-NZ 3.06Å; E325-L329 WeakPolarHBondContact O-CG 3.46Å; E325-L329 PolarHBondContact O-N 3.05Å
326A98.8Very high97.8Very high0 Ų027.9 Ų27.90%013%0.127CC..Hα-helixtrans-59.6-43.1170.400000112.1T15 L291 I306 C322 A323 K328 L329 F330T15-A326 HydrophobicContact CG2-CB 3.6Å; L291-A326 HydrophobicContact CD1-CB 4.1Å; I306-A326 HydrophobicContact CG2-CB 4.22Å; C322-A326 WeakPolarHBondContact O-CB 3.49Å; C322-A326 PolarHBondContact O-N 3.3Å; A323-A326 PolarHBondContact O-N 3.41Å; A326-K328 VanDerWaalsContact C-N 3.3Å; A326-K328 PolarHBondContact O-N 2.8Å; A326-L329 PolarHBondContact O-N 3.16Å; A326-F330 PolarHBondContact O-N 3.1Å
327A98.8Very high97.3Very high0 Ų029.2 Ų29.20%013%0.133CC..Hα-helixtrans-65-33.1175.800000112.1I19 Y23 A323 L324 E325 F330 G331I19-A327 HydrophobicContact CG1-CB 4.11Å; Y23-A327 HydrophobicContact CE2-CB 4.22Å; Y23-A327 WeakPolarHBondContact CE2-O 3.33Å; Y23-A327 VanDerWaalsContact CZ-O 3.29Å; Y23-A327 PolarHBondContact OH-O 3.02Å; A323-A327 WeakPolarHBondContact O-CB 3.24Å; A323-A327 PolarHBondContact O-N 2.73Å; L324-A327 PolarHBondContact O-N 2.96Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.47Å; A327-F330 WeakPolarHBondContact O-CB 3.38Å; A327-F330 PolarHBondContact O-N 2.67Å; A327-G331 PolarHBondContact O-N 3.14Å
328K98.5Very high96.6Very high89 Ų8935.2 Ų35.239%0.38716%0.158SC..Hα-helixtrans-68.5-42173.2178-179.6160.2-153.70112.2L324 E325 A326 F330 G331 R332L324-K328 PolarHBondContact O-N 3.34Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 3.19Å; E325-K328 VanDerWaalsContact O-N 3.15Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.9Å; E325-K328 WeakPolarHBondContact OE2-CD 3.22Å; E325-K328 IonicContact OE2-NZ 3.18Å; E325-K328 PolarHBondContact OE2-NZ 3.06Å; A326-K328 VanDerWaalsContact C-N 3.3Å; A326-K328 PolarHBondContact O-N 2.8Å; K328-F330 VanDerWaalsContact C-N 3.3Å; K328-F330 PolarHBondContact O-N 3.03Å; K328-G331 PolarHBondContact O-N 3.38Å; K328-G331 VanDerWaalsContact O-N 3.15Å; K328-R332 PolarHBondContact O-N 2.58Å; K328-R332 VanDerWaalsContact O-N 3.08Å
329L98.6Very high95.6Very high17 Ų1740.9 Ų40.99%0.08919%0.188CC..Hα-helixtrans-60.2-40.9171.6-67.2177.9000111.5I306 E325 A326 G331 R332 I333I306-L329 HydrophobicContact CD1-CB 4.21Å; I306-L329 HydrophobicContact CG2-CD1 4.08Å; E325-L329 WeakPolarHBondContact O-CG 3.46Å; E325-L329 PolarHBondContact O-N 3.05Å; A326-L329 PolarHBondContact O-N 3.16Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-G331 PolarHBondContact O-N 2.85Å; L329-R332 PolarHBondContact O-N 2.89Å; L329-I333 PolarHBondContact O-N 3.2Å; L329-I333 VanDerWaalsContact O-N 3.12Å
330F98.6Very high94.6Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-60-42.7172.6-176.5-97.2000112.2M1 V3 I19 Y23 L27 L30 V177 I306 A326 A327 K328 R332 I333 L334M1-F330 HydrophobicContact CB-CZ 4.48Å; M1-F330 HydrophobicContact CG-CE2 4.04Å; M1-F330 HydrophobicContact CG-CZ 3.91Å; V3-F330 HydrophobicContact CG2-CE2 3.5Å; V3-F330 HydrophobicContact CG2-CZ 3.78Å; I19-F330 HydrophobicContact CG2-CD1 3.99Å; I19-F330 HydrophobicContact CG2-CE1 3.92Å; I19-F330 HydrophobicContact CG2-CE2 4.49Å; I19-F330 HydrophobicContact CG2-CG 4.25Å; I19-F330 HydrophobicContact CG2-CZ 4.2Å; Y23-F330 AromaticContact CD2-CD1 3.42Å; Y23-F330 HydrophobicContact CD2-CD1 3.42Å; Y23-F330 VanDerWaalsContact CD2-CD1 3.42Å; Y23-F330 AromaticContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CE2-CB 4.44Å; Y23-F330 AromaticContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CE1 4.35Å; Y23-F330 HydrophobicContact CE2-CG 4.46Å; Y23-F330 AromaticContact CG-CD1 3.94Å; Y23-F330 HydrophobicContact CG-CD1 3.94Å; Y23-F330 AromaticContact CG-CE1 3.91Å; Y23-F330 HydrophobicContact CG-CE1 3.91Å; L27-F330 HydrophobicContact CD2-CE1 4.31Å; L27-F330 HydrophobicContact CD2-CZ 4.27Å; L30-F330 HydrophobicContact CD1-CZ 4.1Å; V177-F330 HydrophobicContact CB-CD2 4.47Å; V177-F330 HydrophobicContact CB-CE2 4.23Å; V177-F330 HydrophobicContact CG1-CD2 4.17Å; V177-F330 HydrophobicContact CG1-CE2 4.42Å; V177-F330 HydrophobicContact CG2-CD2 4.19Å; V177-F330 HydrophobicContact CG2-CE2 3.86Å; I306-F330 HydrophobicContact CD1-CB 3.96Å; A326-F330 PolarHBondContact O-N 3.1Å; A327-F330 WeakPolarHBondContact O-CB 3.38Å; A327-F330 PolarHBondContact O-N 2.67Å; K328-F330 VanDerWaalsContact C-N 3.3Å; K328-F330 PolarHBondContact O-N 3.03Å; F330-R332 PolarHBondContact O-N 3.49Å; F330-I333 WeakPolarHBondContact O-CB 3.09Å; F330-I333 PolarHBondContact O-N 2.77Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.14Å; F330-L334 HydrophobicContact CE1-CD1 3.66Å; F330-L334 HydrophobicContact CE1-CD2 3.99Å; F330-L334 HydrophobicContact CE1-CG 3.9Å; F330-L334 HydrophobicContact CZ-CD1 4.48Å; F330-L334 HydrophobicContact CZ-CD2 4.01Å; F330-L334 HydrophobicContact CZ-CG 4.38Å; F330-L334 WeakPolarHBondContact O-CG 3.29Å; F330-L334 PolarHBondContact O-N 3.01Å
331G97.9Very high93.4Very high5 Ų554.2 Ų54.25%0.05225%0.253CS..Hα-helixtrans-56.9-45.4174.800000113Y23 A327 K328 L329 I333 L334 E335Y23-G331 WeakPolarHBondContact OH-CA 3.43Å; Y23-G331 PolarHBondContact OH-N 3.3Å; A327-G331 PolarHBondContact O-N 3.14Å; K328-G331 PolarHBondContact O-N 3.38Å; K328-G331 VanDerWaalsContact O-N 3.15Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-G331 PolarHBondContact O-N 2.85Å; G331-I333 VanDerWaalsContact C-N 3.34Å; G331-I333 PolarHBondContact O-N 3.36Å; G331-L334 WeakPolarHBondContact O-CB 3.23Å; G331-L334 PolarHBondContact O-N 2.82Å; G331-L334 VanDerWaalsContact O-N 3.07Å; G331-E335 WeakPolarHBondContact O-CG 3.27Å; G331-E335 PolarHBondContact O-N 3.09Å
332R97.4Very high91.8Very high118 Ų11860.4 Ų60.445%0.44528%0.284SS..Hα-helixtrans-60-41.8175.4-67.1177.4179.6168.4-1.9112.2K328 L329 F330 L334 E335 E336K328-R332 PolarHBondContact O-N 2.58Å; K328-R332 VanDerWaalsContact O-N 3.08Å; L329-R332 PolarHBondContact O-N 2.89Å; F330-R332 PolarHBondContact O-N 3.49Å; R332-L334 VanDerWaalsContact C-N 3.29Å; R332-L334 PolarHBondContact O-N 3Å; R332-E335 PolarHBondContact O-N 2.96Å; R332-E336 WeakPolarHBondContact O-CG 3.25Å; R332-E336 PolarHBondContact O-N 2.89Å
333I96.2Very high89.9Confident0 Ų065.7 Ų65.70%032%0.318CS..Hα-helixtrans-58.9-41.7173.9-70.5159.3000111V177 R293 E304 I306 L329 F330 G331 K337V177-I333 HydrophobicContact CG1-CD1 4.45Å; V177-I333 HydrophobicContact CG2-CG2 4.14Å; R293-I333 HydrophobicContact CG-CD1 4.31Å; R293-I333 VanDerWaalsContact CZ-CG1 3.42Å; E304-I333 HydrophobicContact CB-CD1 3.83Å; E304-I333 HydrophobicContact CB-CG1 4.38Å; E304-I333 HydrophobicContact CB-CG2 4.43Å; E304-I333 HydrophobicContact CG-CD1 4.19Å; E304-I333 HydrophobicContact CG-CG1 4.17Å; E304-I333 HydrophobicContact CG-CG2 3.9Å; I306-I333 HydrophobicContact CD1-CD1 3.89Å; I306-I333 HydrophobicContact CG1-CD1 3.98Å; L329-I333 PolarHBondContact O-N 3.2Å; L329-I333 VanDerWaalsContact O-N 3.12Å; F330-I333 WeakPolarHBondContact O-CB 3.09Å; F330-I333 PolarHBondContact O-N 2.77Å; G331-I333 VanDerWaalsContact C-N 3.34Å; G331-I333 PolarHBondContact O-N 3.36Å; I333-K337 HydrophobicContact CG2-CD 4.1Å; I333-K337 WeakPolarHBondContact O-CB 3.24Å; I333-K337 WeakPolarHBondContact O-CG 3.36Å; I333-K337 PolarHBondContact O-N 2.9Å
334L94.9Very high88Confident13 Ų1370.4 Ų70.47%0.06835%0.349CS..Hα-helixtrans-64.8-43.1177.6-62.5-177.6000112.1M1 Y23 L27 F330 G331 R332 K337 K338M1-L334 HydrophobicContact CE-CD2 3.53Å; M1-L334 HydrophobicContact CG-CD2 4.34Å; Y23-L334 HydrophobicContact CD1-CD1 3.63Å; Y23-L334 HydrophobicContact CE1-CD1 4.03Å; Y23-L334 HydrophobicContact CG-CD1 4.11Å; L27-L334 HydrophobicContact CD1-CD2 4.27Å; L27-L334 HydrophobicContact CD2-CD1 3.82Å; L27-L334 HydrophobicContact CD2-CD2 3.5Å; L27-L334 HydrophobicContact CD2-CG 4.32Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.14Å; F330-L334 HydrophobicContact CE1-CD1 3.66Å; F330-L334 HydrophobicContact CE1-CD2 3.99Å; F330-L334 HydrophobicContact CE1-CG 3.9Å; F330-L334 HydrophobicContact CZ-CD1 4.48Å; F330-L334 HydrophobicContact CZ-CD2 4.01Å; F330-L334 HydrophobicContact CZ-CG 4.38Å; F330-L334 WeakPolarHBondContact O-CG 3.29Å; F330-L334 PolarHBondContact O-N 3.01Å; G331-L334 WeakPolarHBondContact O-CB 3.23Å; G331-L334 PolarHBondContact O-N 2.82Å; G331-L334 VanDerWaalsContact O-N 3.07Å; R332-L334 VanDerWaalsContact C-N 3.29Å; R332-L334 PolarHBondContact O-N 3Å; L334-K337 PolarHBondContact O-N 3.43Å; L334-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 2.94Å
335E94.2Very high86.2Confident128 Ų12872.9 Ų72.960%0.59837%0.371SS*.Hα-helixtrans-61.6-47.7178.5-71.5170.4-176.900111.2G331 R332 K337 K338 L339G331-E335 WeakPolarHBondContact O-CG 3.27Å; G331-E335 PolarHBondContact O-N 3.09Å; R332-E335 PolarHBondContact O-N 2.96Å; E335-K337 PolarHBondContact O-N 3.39Å; E335-K338 WeakPolarHBondContact O-CB 3.37Å; E335-K338 PolarHBondContact O-N 2.99Å; E335-K338 VanDerWaalsContact O-N 3.14Å; E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 2.98Å
336E92.8Very high84.2Confident88 Ų8879.9 Ų79.941%0.41140%0.403SS..Hα-helixtrans-64.1-39.4177.1-70.3170.7-154.100112.8R293 R332 K338 L339 S340R293-E336 IonicContact CZ-OE1 2.9Å; R293-E336 IonicContact CZ-OE2 2.71Å; R293-E336 IonicContact NH1-OE1 3.29Å; R293-E336 PolarHBondContact NH1-OE1 3.29Å; R293-E336 IonicContact NH1-OE2 3.22Å; R293-E336 PolarHBondContact NH1-OE2 2.87Å; R293-E336 IonicContact NH2-OE2 3.32Å; R293-E336 PolarHBondContact NH2-OE2 3.36Å; R332-E336 WeakPolarHBondContact O-CG 3.25Å; R332-E336 PolarHBondContact O-N 2.89Å; E336-K338 VanDerWaalsContact C-N 3.3Å; E336-K338 PolarHBondContact O-N 2.89Å; E336-L339 PolarHBondContact O-N 3.44Å; E336-S340 PolarHBondContact O-N 3.13Å; E336-S340 PolarHBondContact O-OG 3.12Å
337K87.4Confident81.5Confident43 Ų4391.1 Ų91.119%0.18746%0.462CS..Hα-helixtrans-69.2-25.6174.6-76.3-175.3178.1-178.60112.7M1 D176 I333 L334 E335 S340 R341M1-K337 HydrophobicContact CE-CD 3.52Å; M1-K337 HydrophobicContact SD-CD 4.33Å; D176-K337 PolarHBondContact O-NZ 3.29Å; D176-K337 VanDerWaalsContact O-NZ 3.11Å; I333-K337 HydrophobicContact CG2-CD 4.1Å; I333-K337 WeakPolarHBondContact O-CB 3.24Å; I333-K337 WeakPolarHBondContact O-CG 3.36Å; I333-K337 PolarHBondContact O-N 2.9Å; L334-K337 PolarHBondContact O-N 3.43Å; E335-K337 PolarHBondContact O-N 3.39Å; K337-S340 WeakPolarHBondContact CA-OG 3.26Å; K337-S340 PolarHBondContact O-OG 3.14Å; K337-R341 WeakPolarHBondContact O-CD 3.45Å; K337-R341 VanDerWaalsContact O-CG 3.29Å; K337-R341 WeakPolarHBondContact O-CG 3.49Å
338K84.9Confident80.6Confident128 Ų12895.7 Ų95.756%0.55749%0.485SS*.Hα-helixtrans-73.8-46.2171.3-77.3177.3-179.7-1780110.9L334 E335 E336 S340 R341 M342L334-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 2.94Å; E335-K338 WeakPolarHBondContact O-CB 3.37Å; E335-K338 PolarHBondContact O-N 2.99Å; E335-K338 VanDerWaalsContact O-N 3.14Å; E336-K338 VanDerWaalsContact C-N 3.3Å; E336-K338 PolarHBondContact O-N 2.89Å; K338-S340 PolarHBondContact O-N 2.88Å; K338-R341 PolarHBondContact O-N 3.4Å; K338-R341 VanDerWaalsContact O-N 3.15Å; K338-M342 PolarHBondContact O-N 3.37Å
339L76.3Confident79.7Confident119 Ų11996 Ų9662%0.62349%0.49SS*.Hα-helixtrans-62.4-40.6179.1-70.5169.3000112.2E335 E336 R341 M342E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 2.98Å; E336-L339 PolarHBondContact O-N 3.44Å; L339-R341 PolarHBondContact O-N 2.96Å; L339-M342 HydrophobicContact CD2-SD 4.34Å; L339-M342 PolarHBondContact O-N 3.45Å; L339-M342 VanDerWaalsContact O-N 3.16Å
340S78Confident78.7Confident97 Ų97100.4 Ų100.468%0.67851%0.512SS*.THydrogen-bonded Turntrans-69.4-13.2177.256.10000114.4E336 K337 K338E336-S340 PolarHBondContact O-N 3.13Å; E336-S340 PolarHBondContact O-OG 3.12Å; K337-S340 WeakPolarHBondContact CA-OG 3.26Å; K337-S340 PolarHBondContact O-OG 3.14Å; K338-S340 PolarHBondContact O-N 2.88Å
341R74.2Confident77.5Confident205 Ų205106.3 Ų106.377%0.77454%0.542SS*.THydrogen-bonded Turntrans-94.5-11.6173.8-70.3175.2-178.3-169-0.8113.3K337 K338 L339K337-R341 WeakPolarHBondContact O-CD 3.45Å; K337-R341 VanDerWaalsContact O-CG 3.29Å; K337-R341 WeakPolarHBondContact O-CG 3.49Å; K338-R341 PolarHBondContact O-N 3.4Å; K338-R341 VanDerWaalsContact O-N 3.15Å; L339-R341 PolarHBondContact O-N 2.96Å
342M65.2Low76.2Confident130 Ų130112.6 Ų112.664%0.6457%0.573SS**SBendtrans-72.5131.8174-67.2-175.475.500108.7K338 L339K338-M342 PolarHBondContact O-N 3.37Å; L339-M342 HydrophobicContact CD2-SD 4.34Å; L339-M342 PolarHBondContact O-N 3.45Å; L339-M342 VanDerWaalsContact O-N 3.16Å
343P58.6Low74.8Confident111 Ų111112.3 Ų112.372%0.72158%0.582SS**PPolyproline II helixtrans-55.1146.4171.6-17.427.9000109.4S345P343-S345 PolarHBondContact O-N 3.46Å; P343-S345 VanDerWaalsContact O-N 3.11Å
344P58.9Low73.3Confident99 Ų99120.3 Ų120.364%0.64362%0.623SS**PPolyproline II helixtrans-51.5124.3168.9-19.129.3000108.4H346P344-H346 PolarHBondContact O-N 3.01Å
345S61.9Low71.6Confident110 Ų110128.5 Ų128.577%0.76967%0.666SS**  trans-64.8100.1172.256.20000107.6P343 L347P343-S345 PolarHBondContact O-N 3.46Å; P343-S345 VanDerWaalsContact O-N 3.11Å; S345-L347 VanDerWaalsContact C-N 3.3Å; S345-L347 PolarHBondContact O-N 3.4Å
346H55.9Low69.7Low178 Ų178128.6 Ų128.682%0.82467%0.671SS**  trans-72.991.3166.3-67.1-67000107.5P344P344-H346 PolarHBondContact O-N 3.01Å
347L42.7Very low67.6Low235 Ų235132.3 Ų132.3100%1.2370%0.695SS**  trans-98.10155.3-90.4166.3000108.5S345S345-L347 VanDerWaalsContact C-N 3.3Å; S345-L347 PolarHBondContact O-N 3.4Å

Retrieved 347 of 347 residues in 1027.7 ms (Link to these results)