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Ras-related protein Rab-10

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion (By similarity). RAB10 is mainly involved in the biosynthetic transport of proteins from the Golgi to the plasma membrane1,2,3,4. Regulates, for instance, SLC2A4/GLUT4 glucose transporter-enriched vesicles delivery to the plasma membrane5,6,7. In parallel, RAB10 regulates the transport of TLR4, a toll-like receptor to the plasma membrane and therefore may be important for innate immune response8. Also plays a specific role in asymmetric protein transport to the plasma membrane (By similarity). In neurons, involved in axonogenesis through regulation of vesicular membrane trafficking toward the axonal plasma membrane (By similarity). In epithelial cells, regulates transport from the Golgi to the basolateral membrane (By similarity). May play a role in the basolateral recycling pathway and in phagosome maturation (By similarity). May play a role in endoplasmic reticulum dynamics and morphology controlling tubulation along microtubules and tubules fusion. Together with LRRK2, RAB8A, and RILPL1, regulates ciliogenesis. When phosphorylated by LRRK2 on Thr-73, binds RILPL1 and inhibits ciliogenesis. Participates in the export of a subset of neosynthesized proteins through a Rab8-Rab10-Rab11-dependent endososomal export route. Targeted to and stabilized on stressed lysosomes through LRRK2 phosphorylation where it promotes the extracellular release of lysosomal content through EHBP1 and EHNP1L1 effector proteins9.

AlphaFold DB , UniProt , Accession P61027, Species MOUSE (Mus musculus, Mouse), Gene Rab10, Length 200 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low81.6Confident245 Ų245101.1 Ų101.1100%1.20752%0.522SS*.  01300-68.9178.6-172.400108.2K3M1-K3 PolarHBondContact O-N 3.09Å
2A58Low83Confident106 Ų10692.7 Ų92.788%0.87648%0.478SS*.PPolyproline II helixtrans-63.3122176.600000109.4K4A2-K4 PolarHBondContact O-N 2.99Å
3K64.7Low84Confident198 Ų19885.5 Ų85.586%0.86144%0.442SS*.PPolyproline II helixtrans-59.4123.9178.4-161.6174-176177.20107.9M1 T5M1-K3 PolarHBondContact O-N 3.09Å; K3-T5 PolarHBondContact O-N 3.22Å
4K71.3Confident84.9Confident168 Ų16879.4 Ų79.473%0.7341%0.41SS*.PPolyproline II helixtrans-54.7128.5174-80.3-175.6176.5177.80108.2A2 Y6A2-K4 PolarHBondContact O-N 2.99Å; K4-Y6 PolarHBondContact O-N 3.26Å
5T87.4Confident85.5Confident107 Ų10774.1 Ų74.166%0.65638%0.383SS*.SBendtrans-82.9-1.7-178.952.30000113.2K3K3-T5 PolarHBondContact O-N 3.22Å
6Y92.5Very high86.1Confident55 Ų5569.5 Ų69.522%0.21636%0.359CS..  trans-148.9154.9-177.567-88.6000110K4 L8 L9 K59K4-Y6 PolarHBondContact O-N 3.26Å; Y6-L8 WeakPolarHBondContact CD2-O 3.15Å; Y6-L9 HydrophobicContact CE2-CB 3.73Å; Y6-L9 HydrophobicContact CE2-CD1 4.43Å; Y6-K59 HydrophobicContact CD1-CB 4.3Å; Y6-K59 HydrophobicContact CD1-CD 4.07Å; Y6-K59 VanDerWaalsContact CD1-NZ 3.33Å; Y6-K59 HydrophobicContact CD2-CB 4.01Å; Y6-K59 HydrophobicContact CE1-CD 4.05Å; Y6-K59 VanDerWaalsContact CE1-NZ 3.34Å; Y6-K59 HydrophobicContact CE2-CB 4.5Å; Y6-K59 HydrophobicContact CG-CB 3.88Å; Y6-K59 HydrophobicContact CG-CD 4.5Å
7D94.3Very high86.6Confident97 Ų9766.9 Ų66.952%0.51935%0.346SS..SBendtrans-88.3-42.1-178.6-56.3-60.6000111.6K56 K57D7-K56 HydrophobicContact CB-CB 4.26Å; D7-K56 WeakPolarHBondContact OD2-CA 3.43Å; D7-K57 PolarHBondContact N-O 2.93Å; D7-K57 PolarHBondContact OD2-N 3Å
8L96.4Very high86.9Confident34 Ų3465.2 Ų65.218%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-132.1147.6-175.3-61.4173.2000112Y6 F10 K56 K57 I58 K59 L171 T174Y6-L8 WeakPolarHBondContact CD2-O 3.15Å; L8-F10 HydrophobicContact CB-CD1 4.46Å; L8-F10 HydrophobicContact CB-CE1 3.91Å; L8-F10 HydrophobicContact CB-CZ 4.33Å; L8-F10 HydrophobicContact CD1-CE1 4.12Å; L8-F10 HydrophobicContact CD1-CZ 3.95Å; L8-K56 HydrophobicContact CD1-CD 3.8Å; L8-K56 HydrophobicContact CG-CD 4.46Å; L8-K57 PolarHBondContact N-O 2.8Å; L8-I58 HydrophobicContact CB-CG1 4.27Å; L8-I58 HydrophobicContact CB-CG2 4.28Å; L8-I58 HydrophobicContact CD1-CD1 4.31Å; L8-I58 HydrophobicContact CD1-CG1 4.41Å; L8-I58 CarbonylContact O-C 3.57Å; L8-I58 WeakPolarHBondContact O-CA 2.81Å; L8-K59 PolarHBondContact O-N 3.23Å; L8-L171 HydrophobicContact CD1-CD1 3.32Å; L8-T174 HydrophobicContact CD2-CG2 4.21Å
9L95.9Very high87.2Confident61 Ų6163.2 Ų63.232%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-118.4116.6175.3-176.968.6000108.5Y6 K59 Q61Y6-L9 HydrophobicContact CE2-CB 3.73Å; Y6-L9 HydrophobicContact CE2-CD1 4.43Å; L9-K59 WeakPolarHBondContact CA-O 3.09Å; L9-K59 HydrophobicContact CD1-CB 3.83Å; L9-K59 HydrophobicContact CD1-CD 3.83Å; L9-K59 HydrophobicContact CD1-CG 3.79Å; L9-Q61 HydrophobicContact CD1-CG 3.71Å; L9-Q61 HydrophobicContact CG-CG 4.44Å
10F97.5Very high87.6Confident1 Ų160 Ų600%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-110131.1176.1-63.5-14.5000111L8 I58 K59 L60 Q61 M83 A167 I170 L171L8-F10 HydrophobicContact CB-CD1 4.46Å; L8-F10 HydrophobicContact CB-CE1 3.91Å; L8-F10 HydrophobicContact CB-CZ 4.33Å; L8-F10 HydrophobicContact CD1-CE1 4.12Å; L8-F10 HydrophobicContact CD1-CZ 3.95Å; F10-I58 HydrophobicContact CB-CG2 4.38Å; F10-I58 HydrophobicContact CD1-CG2 4.25Å; F10-I58 HydrophobicContact CD2-CG2 3.42Å; F10-I58 VanDerWaalsContact CD2-CG2 3.42Å; F10-I58 HydrophobicContact CE1-CG2 4.41Å; F10-I58 HydrophobicContact CE2-CD1 3.73Å; F10-I58 HydrophobicContact CE2-CG2 3.61Å; F10-I58 HydrophobicContact CG-CG2 3.75Å; F10-I58 HydrophobicContact CZ-CD1 4.03Å; F10-I58 HydrophobicContact CZ-CG2 4.11Å; F10-K59 PolarHBondContact N-O 2.7Å; F10-L60 HydrophobicContact CB-CD2 3.87Å; F10-L60 HydrophobicContact CD2-CD2 3.98Å; F10-L60 HydrophobicContact CG-CD2 4.35Å; F10-Q61 PolarHBondContact O-N 2.9Å; F10-M83 HydrophobicContact CB-SD 4.32Å; F10-M83 HydrophobicContact CD1-CE 3.45Å; F10-M83 VanDerWaalsContact CD1-CE 3.45Å; F10-M83 HydrophobicContact CD1-SD 3.83Å; F10-M83 HydrophobicContact CE1-CE 3.75Å; F10-M83 HydrophobicContact CG-CE 4.35Å; F10-M83 HydrophobicContact CG-SD 4.42Å; F10-A167 HydrophobicContact CD2-CB 4.31Å; F10-A167 WeakPolarHBondContact CE2-O 3.44Å; F10-I170 HydrophobicContact CD1-CG2 3.9Å; F10-I170 HydrophobicContact CD2-CB 4.14Å; F10-I170 HydrophobicContact CD2-CD1 4.4Å; F10-I170 HydrophobicContact CD2-CG2 3.81Å; F10-I170 HydrophobicContact CE1-CG2 3.84Å; F10-I170 HydrophobicContact CE2-CB 4Å; F10-I170 HydrophobicContact CE2-CG2 3.74Å; F10-I170 HydrophobicContact CG-CG2 3.91Å; F10-I170 HydrophobicContact CZ-CB 4.4Å; F10-I170 HydrophobicContact CZ-CG2 3.77Å; F10-L171 HydrophobicContact CE2-CB 4.14Å; F10-L171 HydrophobicContact CZ-CB 4.05Å; F10-L171 HydrophobicContact CZ-CD1 4.21Å
11K96.2Very high88Confident40 Ų4057.6 Ų57.617%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-95.2115.3173.2-178.1177.9168-167.40109.6Y78 R80 M83 G84K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 3.23Å; K11-R80 PolarHBondContact NZ-O 2.88Å; K11-M83 PolarHBondContact O-N 3.35Å; K11-G84 PolarHBondContact O-N 3.25Å
12L97.6Very high90.5Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-109.7143176.2-53.7-173.6000110.6L60 Q61 I62 W63 G84 F163 L166 I170L12-L60 HydrophobicContact CD1-CB 4.47Å; L12-L60 HydrophobicContact CD1-CD1 4.27Å; L12-L60 HydrophobicContact CD1-CD2 4.29Å; L12-Q61 PolarHBondContact N-O 3.09Å; L12-I62 HydrophobicContact CB-CG1 4.3Å; L12-I62 HydrophobicContact CB-CG2 4.37Å; L12-I62 HydrophobicContact CD1-CG1 4.28Å; L12-I62 WeakPolarHBondContact O-CA 3.26Å; L12-W63 PolarHBondContact O-N 2.92Å; L12-G84 CarbonylContact C-O 3.57Å; L12-G84 VanDerWaalsContact CA-O 3.27Å; L12-G84 WeakPolarHBondContact CA-O 3.28Å; L12-F163 HydrophobicContact CD1-CD1 4Å; L12-F163 HydrophobicContact CD1-CE1 4.45Å; L12-L166 HydrophobicContact CD1-CD2 4.47Å; L12-L166 HydrophobicContact CD2-CD2 4.04Å; L12-L166 HydrophobicContact CD2-CG 4.37Å; L12-I170 HydrophobicContact CD2-CD1 3.42Å; L12-I170 VanDerWaalsContact CD2-CD1 3.42Å
13L96.1Very high92.2Very high0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-123.1131.2177.3-169.667.2000110.3I15 W63 T65 Y79 A82 G84 I85 M86L13-I15 HydrophobicContact CD2-CG2 3.68Å; L13-I15 HydrophobicContact CG-CG2 3.76Å; L13-W63 HydrophobicContact CD1-CB 3.63Å; L13-T65 HydrophobicContact CD1-CG2 3.45Å; L13-T65 VanDerWaalsContact CD1-CG2 3.45Å; L13-T65 HydrophobicContact CG-CG2 4.2Å; L13-Y79 HydrophobicContact CD2-CD1 4.21Å; L13-Y79 HydrophobicContact CD2-CD2 4.48Å; L13-Y79 HydrophobicContact CD2-CE1 4.38Å; L13-Y79 HydrophobicContact CD2-CG 4.28Å; L13-A82 HydrophobicContact CB-CB 4.41Å; L13-G84 PolarHBondContact N-O 3.19Å; L13-I85 HydrophobicContact CB-CG1 4.18Å; L13-I85 WeakPolarHBondContact O-CA 3.42Å; L13-M86 PolarHBondContact O-N 2.84Å
14L96.4Very high93.6Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-97.6122.8169.3-56.4-178.5000109.2K22 L26 I62 W63 T65 M86 F163L14-K22 HydrophobicContact CB-CB 4.23Å; L14-K22 HydrophobicContact CB-CD 4.42Å; L14-K22 HydrophobicContact CD1-CB 4.46Å; L14-K22 WeakPolarHBondContact CD1-O 3.39Å; L14-L26 HydrophobicContact CD1-CB 3.83Å; L14-I62 HydrophobicContact CD1-CG2 4.25Å; L14-I62 HydrophobicContact CG-CG2 4.07Å; L14-W63 PolarHBondContact N-O 3.23Å; L14-T65 PolarHBondContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 3Å; L14-M86 HydrophobicContact CD2-CB 3.62Å; L14-M86 HydrophobicContact CD2-CG 3.97Å; L14-M86 HydrophobicContact CD2-SD 3.63Å; L14-F163 HydrophobicContact CD2-CE1 4.3Å; L14-F163 HydrophobicContact CD2-CZ 4.13Å
15I94.7Very high94.9Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-129.9166177.365165.5000111.5L13 K22 T75 Y79 I85 M86 L87 V88 W103 I107L13-I15 HydrophobicContact CD2-CG2 3.68Å; L13-I15 HydrophobicContact CG-CG2 3.76Å; I15-K22 VanDerWaalsContact C-CD 3.4Å; I15-K22 WeakPolarHBondContact O-CD 3.33Å; I15-T75 HydrophobicContact CG2-CG2 4.19Å; I15-Y79 HydrophobicContact CD1-CE1 4.13Å; I15-I85 HydrophobicContact CD1-CG2 3.73Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-I85 HydrophobicContact CG2-CG2 4.48Å; I15-M86 PolarHBondContact N-O 3.32Å; I15-L87 HydrophobicContact CD1-CD1 4.01Å; I15-L87 HydrophobicContact CG1-CB 4.22Å; I15-L87 HydrophobicContact CG1-CD1 3.8Å; I15-V88 PolarHBondContact O-N 3.46Å; I15-W103 HydrophobicContact CB-CE3 4.11Å; I15-W103 HydrophobicContact CB-CZ3 4.27Å; I15-W103 HydrophobicContact CD1-CB 4.23Å; I15-W103 HydrophobicContact CD1-CE3 4.07Å; I15-W103 HydrophobicContact CG1-CE3 4.49Å; I15-I107 HydrophobicContact CD1-CD1 3.72Å; I15-I107 HydrophobicContact CD1-CG1 3.72Å
16G94.9Very high95.3Very high0 Ų022.3 Ų22.30%013%0.128CC..SBendtrans133.9170.4-175.500000111.6K22 G67 W103G16-K22 PolarHBondContact O-NZ 2.78Å; G16-G67 WeakPolarHBondContact O-CA 3.14Å; G16-W103 WeakPolarHBondContact O-CZ2 3.31Å
17D94.1Very high95.4Very high26 Ų2622.8 Ų22.814%0.13913%0.131CC..  trans-56.7160.1-176.8-78.616.4000113.1V20 K22 S96 N99 W103D17-V20 HydrophobicContact CB-CG1 3.8Å; D17-V20 VanDerWaalsContact O-CG2 3.25Å; D17-V20 WeakPolarHBondContact O-CG2 3.4Å; D17-K22 PolarHBondContact O-NZ 3.39Å; D17-S96 WeakPolarHBondContact OD2-CA 3.43Å; D17-N99 WeakPolarHBondContact OD1-CB 3.27Å; D17-N99 PolarHBondContact OD1-ND2 3.03Å; D17-N99 PolarHBondContact OD2-ND2 3.02Å; D17-W103 PolarHBondContact OD1-NE1 3.07Å
18S92Very high95.5Very high36 Ų3620 Ų2025%0.25211%0.113SC..THydrogen-bonded Turntrans-59.8144.6169-169.70000110.7V20 G67 Q68S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.78Å; S18-G67 PolarHBondContact N-O 2.91Å; S18-Q68 VanDerWaalsContact CB-OE1 3.26Å
19G92.7Very high95.6Very high26 Ų2618.6 Ų18.627%0.26811%0.106SC..THydrogen-bonded Turntrans79.1-4.917500000116.8G21 K123G19-G21 PolarHBondContact O-N 2.74Å; G19-K123 PolarHBondContact O-NZ 3.18Å
20V95.9Very high95.5Very high0 Ų016.8 Ų16.80%010%0.098CC..SBendtrans-70.9-15.9179.1-55.80000113.7D17 S18 K22 V88 D90 N122D17-V20 HydrophobicContact CB-CG1 3.8Å; D17-V20 VanDerWaalsContact O-CG2 3.25Å; D17-V20 WeakPolarHBondContact O-CG2 3.4Å; S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.78Å; V20-K22 HydrophobicContact CG2-CD 4.3Å; V20-K22 HydrophobicContact CG2-CG 3.61Å; V20-V88 HydrophobicContact CB-CG1 4.33Å; V20-V88 HydrophobicContact CG2-CB 3.9Å; V20-V88 HydrophobicContact CG2-CG1 3.87Å; V20-D90 HydrophobicContact CB-CB 4.2Å; V20-D90 HydrophobicContact CG1-CB 4.21Å; V20-N122 PolarHBondContact O-ND2 3.31Å
21G95.8Very high95.4Very high10 Ų1020.5 Ų20.510%0.10312%0.118CC..  trans10122.3174.800000115.6G19 T23 C24 V25G19-G21 PolarHBondContact O-N 2.74Å; G21-T23 VanDerWaalsContact C-N 3.34Å; G21-T23 PolarHBondContact O-N 3.28Å; G21-C24 WeakPolarHBondContact O-CB 3.38Å; G21-C24 PolarHBondContact O-N 2.78Å; G21-C24 VanDerWaalsContact O-N 3.11Å; G21-V25 WeakPolarHBondContact O-CG2 3.35Å; G21-V25 PolarHBondContact O-N 2.9Å
22K95.4Very high95.3Very high10 Ų1023.8 Ų23.84%0.04314%0.138CC..Hα-helixtrans-51-50.5176.4-56.3-174-62-76.60112.6L14 I15 G16 D17 V20 C24 V25 L26 D64 T65 V88L14-K22 HydrophobicContact CB-CB 4.23Å; L14-K22 HydrophobicContact CB-CD 4.42Å; L14-K22 HydrophobicContact CD1-CB 4.46Å; L14-K22 WeakPolarHBondContact CD1-O 3.39Å; I15-K22 VanDerWaalsContact C-CD 3.4Å; I15-K22 WeakPolarHBondContact O-CD 3.33Å; G16-K22 PolarHBondContact O-NZ 2.78Å; D17-K22 PolarHBondContact O-NZ 3.39Å; V20-K22 HydrophobicContact CG2-CD 4.3Å; V20-K22 HydrophobicContact CG2-CG 3.61Å; K22-C24 PolarHBondContact O-N 3.05Å; K22-V25 WeakPolarHBondContact O-CB 3.33Å; K22-V25 PolarHBondContact O-N 2.73Å; K22-L26 PolarHBondContact O-N 2.82Å; K22-D64 WeakPolarHBondContact CB-OD1 2.85Å; K22-T65 WeakPolarHBondContact CE-O 3.2Å; K22-V88 HydrophobicContact CG-CB 4.1Å; K22-V88 HydrophobicContact CG-CG2 4.13Å
23T94Very high95.1Very high35 Ų3525.7 Ų25.722%0.21515%0.153CC..Hα-helixtrans-58.9-47175.7-43.50000111.4G21 V25 L26 F27 T41 D64G21-T23 VanDerWaalsContact C-N 3.34Å; G21-T23 PolarHBondContact O-N 3.28Å; T23-V25 VanDerWaalsContact C-N 3.32Å; T23-V25 PolarHBondContact O-N 2.79Å; T23-L26 WeakPolarHBondContact O-CB 3.18Å; T23-L26 PolarHBondContact O-N 2.87Å; T23-L26 VanDerWaalsContact O-N 3.15Å; T23-F27 HydrophobicContact CG2-CD2 3.68Å; T23-F27 HydrophobicContact CG2-CE2 3.67Å; T23-F27 VanDerWaalsContact O-CD2 3.32Å; T23-F27 WeakPolarHBondContact O-CD2 3.48Å; T23-F27 PolarHBondContact O-N 3.1Å; T23-T41 PolarHBondContact OG1-OG1 3.1Å; T23-D64 VanDerWaalsContact CA-OD2 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.06Å; T23-D64 VanDerWaalsContact CB-OD2 3.27Å; T23-D64 WeakPolarHBondContact CB-OD2 3.2Å; T23-D64 PolarHBondContact OG1-OD2 3.03Å
24C95.5Very high94.9Very high37 Ų3729 Ų2925%0.2517%0.168CC..Hα-helixtrans-60.9-40.2177-57.60000112.4G21 K22 R28 F34 A153G21-C24 WeakPolarHBondContact O-CB 3.38Å; G21-C24 PolarHBondContact O-N 2.78Å; G21-C24 VanDerWaalsContact O-N 3.11Å; K22-C24 PolarHBondContact O-N 3.05Å; C24-R28 VanDerWaalsContact O-CB 3.27Å; C24-R28 WeakPolarHBondContact O-CB 3.06Å; C24-R28 PolarHBondContact O-N 2.78Å; C24-F34 HydrophobicContact CB-CD2 4.15Å; C24-F34 HydrophobicContact CB-CE2 3.92Å; C24-A153 HydrophobicContact CB-CB 3.67Å
25V97.3Very high94.3Very high1 Ų134 Ų341%0.00619%0.194CC..Hα-helixtrans-62.4-44.2175167.60000110.4G21 K22 T23 F29 L120 A153 I159 F163G21-V25 WeakPolarHBondContact O-CG2 3.35Å; G21-V25 PolarHBondContact O-N 2.9Å; K22-V25 WeakPolarHBondContact O-CB 3.33Å; K22-V25 PolarHBondContact O-N 2.73Å; T23-V25 VanDerWaalsContact C-N 3.32Å; T23-V25 PolarHBondContact O-N 2.79Å; V25-F29 WeakPolarHBondContact O-CB 3.26Å; V25-F29 PolarHBondContact O-N 3.44Å; V25-L120 HydrophobicContact CG1-CD1 4.43Å; V25-A153 HydrophobicContact CG2-CB 4.09Å; V25-I159 HydrophobicContact CB-CD1 4.42Å; V25-I159 HydrophobicContact CG1-CD1 4.16Å; V25-I159 HydrophobicContact CG2-CD1 4Å; V25-F163 HydrophobicContact CG1-CE2 3.68Å; V25-F163 HydrophobicContact CG1-CZ 4.05Å
26L96Very high93.6Very high0 Ų039.9 Ų39.90%023%0.231CC..Hα-helixtrans-61.8-50.5176.1179.354.5000112.3L14 K22 T23 F29 S30 K47 I62 D64L14-L26 HydrophobicContact CD1-CB 3.83Å; K22-L26 PolarHBondContact O-N 2.82Å; T23-L26 WeakPolarHBondContact O-CB 3.18Å; T23-L26 PolarHBondContact O-N 2.87Å; T23-L26 VanDerWaalsContact O-N 3.15Å; L26-F29 PolarHBondContact O-N 2.9Å; L26-S30 WeakPolarHBondContact O-CB 3.45Å; L26-S30 PolarHBondContact O-N 2.85Å; L26-S30 PolarHBondContact O-OG 3.01Å; L26-K47 HydrophobicContact CD1-CB 3.98Å; L26-K47 HydrophobicContact CD1-CG 4.36Å; L26-K47 HydrophobicContact CD2-CB 4.1Å; L26-K47 HydrophobicContact CD2-CG 3.94Å; L26-K47 HydrophobicContact CG-CB 4.25Å; L26-K47 HydrophobicContact CG-CG 4.11Å; L26-I62 HydrophobicContact CD1-CB 3.74Å; L26-I62 HydrophobicContact CD1-CD1 3.87Å; L26-I62 HydrophobicContact CD1-CG1 4.42Å; L26-I62 HydrophobicContact CD1-CG2 3.59Å; L26-D64 HydrophobicContact CD2-CB 3.66Å
27F94.6Very high92.9Very high64 Ų6444 Ų4428%0.28126%0.256SS..Hα-helixtrans-65-39.4-179.2-87.8-84.7000112T23 F29 S30 D31 D32 A33T23-F27 HydrophobicContact CG2-CD2 3.68Å; T23-F27 HydrophobicContact CG2-CE2 3.67Å; T23-F27 VanDerWaalsContact O-CD2 3.32Å; T23-F27 WeakPolarHBondContact O-CD2 3.48Å; T23-F27 PolarHBondContact O-N 3.1Å; F27-F29 VanDerWaalsContact C-N 3.32Å; F27-F29 PolarHBondContact O-N 2.85Å; F27-S30 PolarHBondContact O-N 3.01Å; F27-D31 VanDerWaalsContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CE1-OD2 3.45Å; F27-D31 PolarHBondContact O-N 3.28Å; F27-D32 PolarHBondContact O-N 3.19Å; F27-A33 CarbonylContact C-O 3.51Å; F27-A33 PolarHBondContact O-N 3.25Å
28R96.9Very high91.7Very high38 Ų3849.2 Ų49.214%0.14328%0.278CS..Hα-helixtrans-61.7-42.7174.1176.655.472.4-168.40.8111.2C24 D32 A33 A153 N156 I159C24-R28 VanDerWaalsContact O-CB 3.27Å; C24-R28 WeakPolarHBondContact O-CB 3.06Å; C24-R28 PolarHBondContact O-N 2.78Å; R28-D32 IonicContact CZ-OD1 2.94Å; R28-D32 VanDerWaalsContact NH1-C 3.28Å; R28-D32 PolarHBondContact NH1-O 3.12Å; R28-D32 IonicContact NH1-OD1 2.85Å; R28-D32 PolarHBondContact NH1-OD1 3.1Å; R28-D32 VanDerWaalsContact O-CA 3.3Å; R28-D32 WeakPolarHBondContact O-CA 3.45Å; R28-D32 PolarHBondContact O-N 2.95Å; R28-A33 WeakPolarHBondContact CA-O 3.37Å; R28-A33 PolarHBondContact N-O 2.82Å; R28-A153 HydrophobicContact CB-CB 4.35Å; R28-A153 PolarHBondContact NE-O 2.84Å; R28-N156 WeakPolarHBondContact CD-OD1 3.46Å; R28-N156 HydrophobicContact CG-CB 4.45Å; R28-N156 WeakPolarHBondContact CG-OD1 3.44Å; R28-I159 HydrophobicContact CB-CG2 4.25Å; R28-I159 HydrophobicContact CG-CB 4.15Å; R28-I159 HydrophobicContact CG-CG1 3.87Å; R28-I159 HydrophobicContact CG-CG2 3.92Å
29F97.8Very high91Very high6 Ų653.6 Ų53.63%0.02630%0.297CS..Hα-helixtrans-70.2-45.7178177.8-115.5000112.9V25 L26 F27 K49 V51 L60 I62 I159 E160 F163V25-F29 WeakPolarHBondContact O-CB 3.26Å; V25-F29 PolarHBondContact O-N 3.44Å; L26-F29 PolarHBondContact O-N 2.9Å; F27-F29 VanDerWaalsContact C-N 3.32Å; F27-F29 PolarHBondContact O-N 2.85Å; F29-K49 HydrophobicContact CD1-CD 4.06Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.66Å; F29-K49 HydrophobicContact CE1-CG 4.22Å; F29-K49 HydrophobicContact CE2-CD 4.26Å; F29-K49 HydrophobicContact CZ-CD 3.77Å; F29-K49 HydrophobicContact CZ-CG 4.41Å; F29-K49 WeakPolarHBondContact O-CD 3.28Å; F29-K49 PolarHBondContact O-NZ 3.42Å; F29-V51 HydrophobicContact CZ-CG1 4.05Å; F29-L60 HydrophobicContact CE1-CD1 3.99Å; F29-L60 HydrophobicContact CZ-CD1 4Å; F29-I62 HydrophobicContact CD1-CD1 3.63Å; F29-I62 HydrophobicContact CE1-CD1 3.63Å; F29-I159 HydrophobicContact CB-CG2 3.73Å; F29-E160 HydrophobicContact CE2-CG 4.39Å; F29-F163 HydrophobicContact CB-CD2 3.64Å; F29-F163 HydrophobicContact CB-CE2 3.49Å; F29-F163 VanDerWaalsContact CB-CE2 3.49Å; F29-F163 HydrophobicContact CB-CG 4.45Å; F29-F163 HydrophobicContact CB-CZ 4.21Å; F29-F163 HydrophobicContact CD1-CB 4.28Å; F29-F163 AromaticContact CD1-CD1 3.89Å; F29-F163 HydrophobicContact CD1-CD1 3.89Å; F29-F163 AromaticContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CE1 4.13Å; F29-F163 HydrophobicContact CD1-CE2 4.01Å; F29-F163 AromaticContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CZ 4.18Å; F29-F163 HydrophobicContact CD2-CB 3.93Å; F29-F163 AromaticContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CE2 4.38Å; F29-F163 AromaticContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CE1-CB 3.97Å; F29-F163 AromaticContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD2 4.32Å; F29-F163 AromaticContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE2-CB 3.59Å; F29-F163 HydrophobicContact CE2-CD2 4.21Å; F29-F163 HydrophobicContact CE2-CG 4.02Å; F29-F163 HydrophobicContact CG-CB 4.25Å; F29-F163 HydrophobicContact CG-CD1 4.36Å; F29-F163 AromaticContact CG-CD2 3.37Å; F29-F163 HydrophobicContact CG-CD2 3.37Å; F29-F163 AromaticContact CG-CE2 3.7Å; F29-F163 HydrophobicContact CG-CE2 3.7Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.33Å; F29-F163 HydrophobicContact CZ-CB 3.61Å; F29-F163 HydrophobicContact CZ-CD1 4.46Å; F29-F163 AromaticContact CZ-CG 3.97Å; F29-F163 HydrophobicContact CZ-CG 3.97Å
30S95Very high90.4Very high23 Ų2354.7 Ų54.716%0.16130%0.301CS..Hα-helixtrans-80.2-40.8-170.353.30000113.6L26 F27L26-S30 WeakPolarHBondContact O-CB 3.45Å; L26-S30 PolarHBondContact O-N 2.85Å; L26-S30 PolarHBondContact O-OG 3.01Å; F27-S30 PolarHBondContact O-N 3.01Å
31D93.7Very high89.3Confident78 Ų7856.1 Ų56.142%0.41731%0.31SS..Hα-helixtrans-121.32.6-169.2-56.5-24.2000112.9F27 A33 K47F27-D31 VanDerWaalsContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CE1-OD2 3.45Å; F27-D31 PolarHBondContact O-N 3.28Å; D31-A33 HydrophobicContact CB-CB 4.14Å; D31-A33 PolarHBondContact O-N 3.13Å; D31-K47 IonicContact OD1-NZ 3.98Å; D31-K47 PolarHBondContact OD1-NZ 3.26Å; D31-K47 WeakPolarHBondContact OD2-CE 3.34Å; D31-K47 IonicContact OD2-NZ 2.67Å; D31-K47 PolarHBondContact OD2-NZ 2.85Å
32D94.9Very high88.1Confident110 Ų11062.5 Ų62.559%0.58834%0.34SS*.SBendtrans49.237.7-170.1-164.827.5000113.5F27 R28F27-D32 PolarHBondContact O-N 3.19Å; R28-D32 IonicContact CZ-OD1 2.94Å; R28-D32 VanDerWaalsContact NH1-C 3.28Å; R28-D32 PolarHBondContact NH1-O 3.12Å; R28-D32 IonicContact NH1-OD1 2.85Å; R28-D32 PolarHBondContact NH1-OD1 3.1Å; R28-D32 VanDerWaalsContact O-CA 3.3Å; R28-D32 WeakPolarHBondContact O-CA 3.45Å; R28-D32 PolarHBondContact O-N 2.95Å
33A93.3Very high86.9Confident40 Ų4062.7 Ų62.733%0.33134%0.344SS..  trans-118.8147.9-175.100000112.1F27 R28 D31F27-A33 CarbonylContact C-O 3.51Å; F27-A33 PolarHBondContact O-N 3.25Å; R28-A33 WeakPolarHBondContact CA-O 3.37Å; R28-A33 PolarHBondContact N-O 2.82Å; D31-A33 HydrophobicContact CB-CB 4.14Å; D31-A33 PolarHBondContact O-N 3.13Å
34F91Very high86.2Confident70 Ų7062.9 Ų62.931%0.30734%0.344SS..  trans-139119.7169.7-178.6-92.3000109.7C24 T36 A153 K154C24-F34 HydrophobicContact CB-CD2 4.15Å; C24-F34 HydrophobicContact CB-CE2 3.92Å; F34-T36 HydrophobicContact CD1-CG2 4.49Å; F34-T36 HydrophobicContact CE1-CG2 4.11Å; F34-A153 HydrophobicContact CD2-CB 4.05Å; F34-A153 HydrophobicContact CE2-CB 4.1Å; F34-K154 HydrophobicContact CD1-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.19Å; F34-K154 HydrophobicContact CD2-CB 4.23Å; F34-K154 HydrophobicContact CE1-CB 3.97Å; F34-K154 HydrophobicContact CE1-CD 4.23Å; F34-K154 HydrophobicContact CE1-CG 3.81Å; F34-K154 HydrophobicContact CE2-CB 3.81Å; F34-K154 HydrophobicContact CG-CB 4.49Å; F34-K154 HydrophobicContact CZ-CB 3.67Å; F34-K154 HydrophobicContact CZ-CD 4.36Å; F34-K154 HydrophobicContact CZ-CG 4.01Å
35N85.3Confident85.6Confident103 Ų10364 Ų6455%0.55135%0.347SS*.  trans-99.6132.1173.9-166.9-19.9000109.5T37N35-T37 VanDerWaalsContact C-N 3.28Å; N35-T37 VanDerWaalsContact OD1-CB 3.28Å; N35-T37 WeakPolarHBondContact OD1-CB 3.5Å; N35-T37 PolarHBondContact OD1-N 3.45Å; N35-T37 PolarHBondContact OD1-OG1 3.36Å
36T79.3Confident85.1Confident124 Ų12467.2 Ų67.276%0.76136%0.361SS*.  trans-76.2-17.5175.4510000112.8F34 F38F34-T36 HydrophobicContact CD1-CG2 4.49Å; F34-T36 HydrophobicContact CE1-CG2 4.11Å; T36-F38 PolarHBondContact O-N 2.95Å
37T79.5Confident85Confident88 Ų8869.6 Ų69.654%0.5437%0.372SS..SBendtrans-73.7115178-49.30000109.6N35 I39N35-T37 VanDerWaalsContact C-N 3.28Å; N35-T37 VanDerWaalsContact OD1-CB 3.28Å; N35-T37 WeakPolarHBondContact OD1-CB 3.5Å; N35-T37 PolarHBondContact OD1-N 3.45Å; N35-T37 PolarHBondContact OD1-OG1 3.36Å; T37-I39 HydrophobicContact CG2-CG1 4.13Å; T37-I39 PolarHBondContact O-N 3.26Å
38F70.7Confident85Confident134 Ų13470.5 Ų70.559%0.58838%0.378SS*.  trans-81.8105.8176.1-175.6-103.5000110.5T36T36-F38 PolarHBondContact O-N 2.95Å
39I77.1Confident84.9Confident128 Ų12871.4 Ų71.466%0.65638%0.383SS*.  trans-109.6126.3168.4-55.6177.3000107.1T37 T41T37-I39 HydrophobicContact CG2-CG1 4.13Å; T37-I39 PolarHBondContact O-N 3.26Å; I39-T41 PolarHBondContact O-N 3.23Å
40S78.9Confident84.9Confident50 Ų5074.5 Ų74.535%0.3540%0.403SS..PPolyproline II helixtrans-68.9124173.6-670000109.4I42S40-I42 PolarHBondContact O-N 3.32Å
41T73.9Confident85Confident30 Ų3074.1 Ų74.118%0.18440%0.4CS..PPolyproline II helixtrans-58.7124.3173.2-47.90000109.7T23 I39 D45 A66T23-T41 PolarHBondContact OG1-OG1 3.1Å; I39-T41 PolarHBondContact O-N 3.23Å; T41-D45 HydrophobicContact CG2-CB 4.44Å; T41-A66 VanDerWaalsContact O-CB 3.26Å; T41-A66 WeakPolarHBondContact O-CB 3.34Å
42I69.2Low85.1Confident144 Ų14476.8 Ų76.874%0.73841%0.409SS*.PPolyproline II helixtrans-96.8119173.8-59.5177.3000106.8S40 I44 F71S40-I42 PolarHBondContact O-N 3.32Å; I42-I44 PolarHBondContact O-N 3.01Å; I42-F71 HydrophobicContact CG2-CZ 3.95Å
43G71Confident85.1Confident13 Ų1372.8 Ų72.813%0.13439%0.388CS..SBendtrans72.9-122.3-17800000112.9A66G43-A66 WeakPolarHBondContact O-CB 3.44Å; G43-A66 PolarHBondContact O-N 3.08Å
44I78.3Confident85.1Confident40 Ų4077 Ų7721%0.20540%0.401CS..EExtended strand (participates in β ladder)trans-138.3132-173.1-67.2176.2000109.5I42 W63 D64 T65 I74 Y78I42-I44 PolarHBondContact O-N 3.01Å; I44-W63 HydrophobicContact CG2-CE3 3.71Å; I44-W63 HydrophobicContact CG2-CZ3 4.4Å; I44-D64 CarbonylContact C-O 3.45Å; I44-D64 VanDerWaalsContact CA-O 3.27Å; I44-D64 WeakPolarHBondContact CA-O 3.37Å; I44-D64 WeakPolarHBondContact CG2-O 3.32Å; I44-T65 HydrophobicContact CD1-CG2 4.36Å; I44-T65 HydrophobicContact CG1-CG2 4.34Å; I44-I74 HydrophobicContact CD1-CG2 3.47Å; I44-I74 VanDerWaalsContact CD1-CG2 3.47Å; I44-I74 HydrophobicContact CG1-CG2 4.18Å; I44-Y78 HydrophobicContact CD1-CD1 4.18Å; I44-Y78 HydrophobicContact CD1-CD2 3.22Å; I44-Y78 HydrophobicContact CD1-CE1 3.97Å; I44-Y78 HydrophobicContact CD1-CE2 2.99Å; I44-Y78 HydrophobicContact CD1-CG 3.83Å; I44-Y78 HydrophobicContact CG1-CE2 4.41Å; I44-Y78 HydrophobicContact CG2-CE1 4.23Å
45D84.2Confident85.2Confident60 Ų6076.6 Ų76.632%0.32142%0.416SS..EExtended strand (participates in β ladder)trans-103.6156171.5-160-1.2000110T41 D64T41-D45 HydrophobicContact CG2-CB 4.44Å; D45-D64 HydrophobicContact CB-CB 4.26Å; D45-D64 PolarHBondContact N-O 3.17Å; D45-D64 PolarHBondContact O-N 3Å
46F87.4Confident85.7Confident69 Ų6974 Ų7430%0.30340%0.4SS..EExtended strand (participates in β ladder)trans-141.7127.8-171.5172.9-103.8000111.6I48 Q61 W63F46-I48 HydrophobicContact CE1-CD1 3.67Å; F46-I48 HydrophobicContact CE1-CG1 3.5Å; F46-I48 HydrophobicContact CE2-CG1 4.3Å; F46-I48 HydrophobicContact CZ-CD1 3.65Å; F46-I48 HydrophobicContact CZ-CG1 3.37Å; F46-Q61 HydrophobicContact CE2-CB 3.78Å; F46-Q61 HydrophobicContact CE2-CG 3.87Å; F46-Q61 HydrophobicContact CZ-CB 4.28Å; F46-Q61 HydrophobicContact CZ-CG 3.86Å; F46-W63 HydrophobicContact CB-CE3 3.98Å; F46-W63 HydrophobicContact CB-CZ3 4Å; F46-W63 AromaticContact CD2-CD2 3.54Å; F46-W63 HydrophobicContact CD2-CD2 3.54Å; F46-W63 AromaticContact CD2-CE2 3.5Å; F46-W63 VanDerWaalsContact CD2-CE2 3.5Å; F46-W63 AromaticContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CG 4.16Å; F46-W63 AromaticContact CD2-CH2 3.87Å; F46-W63 HydrophobicContact CD2-CH2 3.87Å; F46-W63 AromaticContact CD2-CZ2 3.7Å; F46-W63 HydrophobicContact CD2-CZ2 3.7Å; F46-W63 AromaticContact CD2-CZ3 3.83Å; F46-W63 HydrophobicContact CD2-CZ3 3.83Å; F46-W63 AromaticContact CD2-NE1 3.97Å; F46-W63 HydrophobicContact CE2-CD2 4.15Å; F46-W63 AromaticContact CE2-CE2 3.61Å; F46-W63 HydrophobicContact CE2-CH2 4.19Å; F46-W63 AromaticContact CE2-CZ2 3.67Å; F46-W63 HydrophobicContact CE2-CZ2 3.67Å; F46-W63 AromaticContact CE2-NE1 3.82Å; F46-W63 HydrophobicContact CG-CD2 4.47Å; F46-W63 HydrophobicContact CG-CE3 4.18Å; F46-W63 HydrophobicContact CG-CH2 4.29Å; F46-W63 HydrophobicContact CG-CZ3 4.08Å
47K92.8Very high86.5Confident50 Ų5073.1 Ų73.122%0.21739%0.386CS..EExtended strand (participates in β ladder)trans-129.3149.5174.9-75.9-78.3-167.3160.10111L26 D31 I62L26-K47 HydrophobicContact CD1-CB 3.98Å; L26-K47 HydrophobicContact CD1-CG 4.36Å; L26-K47 HydrophobicContact CD2-CB 4.1Å; L26-K47 HydrophobicContact CD2-CG 3.94Å; L26-K47 HydrophobicContact CG-CB 4.25Å; L26-K47 HydrophobicContact CG-CG 4.11Å; D31-K47 IonicContact OD1-NZ 3.98Å; D31-K47 PolarHBondContact OD1-NZ 3.26Å; D31-K47 WeakPolarHBondContact OD2-CE 3.34Å; D31-K47 IonicContact OD2-NZ 2.67Å; D31-K47 PolarHBondContact OD2-NZ 2.85Å; K47-I62 PolarHBondContact N-O 3.34Å; K47-I62 PolarHBondContact O-N 2.89Å
48I94.2Very high87.4Confident83 Ų8368.9 Ų68.943%0.42636%0.36SS..EExtended strand (participates in β ladder)trans-116.1125.7171.4-61.2179.3000108.6F46 K59 L60 Q61F46-I48 HydrophobicContact CE1-CD1 3.67Å; F46-I48 HydrophobicContact CE1-CG1 3.5Å; F46-I48 HydrophobicContact CE2-CG1 4.3Å; F46-I48 HydrophobicContact CZ-CD1 3.65Å; F46-I48 HydrophobicContact CZ-CG1 3.37Å; I48-K59 HydrophobicContact CG2-CD 3.7Å; I48-K59 HydrophobicContact CG2-CG 3.38Å; I48-L60 VanDerWaalsContact CA-O 3.28Å; I48-L60 WeakPolarHBondContact CA-O 3.32Å; I48-Q61 HydrophobicContact CG1-CG 4.4Å
49K96.1Very high88.6Confident56 Ų5664.5 Ų64.524%0.24334%0.341CS..EExtended strand (participates in β ladder)trans-127130.9168-178.8162.6173.6-172.20109.3F29 V51 L60F29-K49 HydrophobicContact CD1-CD 4.06Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.66Å; F29-K49 HydrophobicContact CE1-CG 4.22Å; F29-K49 HydrophobicContact CE2-CD 4.26Å; F29-K49 HydrophobicContact CZ-CD 3.77Å; F29-K49 HydrophobicContact CZ-CG 4.41Å; F29-K49 WeakPolarHBondContact O-CD 3.28Å; F29-K49 PolarHBondContact O-NZ 3.42Å; K49-V51 HydrophobicContact CG-CG1 4.28Å; K49-L60 PolarHBondContact N-O 3.49Å; K49-L60 WeakPolarHBondContact O-CA 3.5Å; K49-L60 WeakPolarHBondContact O-CB 3.27Å; K49-L60 PolarHBondContact O-N 2.89Å
50T96.8Very high89.6Confident72 Ų7258.4 Ų58.444%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-93.1129.4172.9-54.30000108.4K57 I58T50-K57 HydrophobicContact CG2-CB 4.37Å; T50-I58 CarbonylContact C-O 3.41Å; T50-I58 WeakPolarHBondContact CA-O 3.13Å
51V97.2Very high90.4Very high15 Ų1558.3 Ų58.39%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-120.6159175.4-58.70000109.3F29 K49 L53 I58 L60 L164F29-V51 HydrophobicContact CZ-CG1 4.05Å; K49-V51 HydrophobicContact CG-CG1 4.28Å; V51-L53 HydrophobicContact CG2-CD1 4.27Å; V51-L53 HydrophobicContact CG2-CG 4.28Å; V51-I58 HydrophobicContact CG2-CB 4.07Å; V51-I58 PolarHBondContact N-O 2.93Å; V51-I58 PolarHBondContact O-N 2.86Å; V51-L60 HydrophobicContact CG1-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD2 4.43Å; V51-L60 HydrophobicContact CG2-CG 4.07Å; V51-L164 HydrophobicContact CB-CD2 4.04Å; V51-L164 HydrophobicContact CG1-CD2 3.93Å; V51-L164 HydrophobicContact CG2-CD2 4.24Å
52E96.3Very high91.5Very high133 Ų13356.9 Ų56.962%0.62130%0.295SS*.EExtended strand (participates in β ladder)trans-111120.1173.2-168.6171.3154.200109.3K56E52-K56 WeakPolarHBondContact CA-O 3.39Å
53L95.4Very high92.7Very high27 Ų2752.7 Ų52.714%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-134.5128.2178.5-69.6176.3000109V51 G55 K56 I58 L164 A167 L171V51-L53 HydrophobicContact CG2-CD1 4.27Å; V51-L53 HydrophobicContact CG2-CG 4.28Å; L53-G55 PolarHBondContact O-N 3.31Å; L53-K56 PolarHBondContact N-O 2.63Å; L53-K56 WeakPolarHBondContact O-CB 3.23Å; L53-K56 PolarHBondContact O-N 3.34Å; L53-I58 HydrophobicContact CB-CD1 3.92Å; L53-I58 HydrophobicContact CD1-CD1 4.23Å; L53-L164 HydrophobicContact CD2-CD2 4.29Å; L53-A167 HydrophobicContact CD1-CB 3.57Å; L53-L171 HydrophobicContact CB-CD2 4.22Å
54Q92.7Very high93.6Very high127 Ų12752 Ų5259%0.59326%0.263SS*.THydrogen-bonded Turntrans51.641.5-179.7-54.9179.5-1.400112.8K56 L171Q54-K56 PolarHBondContact O-N 3.23Å; Q54-L171 HydrophobicContact CB-CD2 4.06Å; Q54-L171 HydrophobicContact CG-CD2 3.97Å
55G93.1Very high93.8Very high62 Ų6250.2 Ų50.264%0.63925%0.254SS*.THydrogen-bonded Turntrans715.5-178.200000115.2L53L53-G55 PolarHBondContact O-N 3.31Å
56K95.1Very high93.6Very high48 Ų4847.4 Ų47.421%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-103.1134.1177.6-55.2-165.3-175.7-156.80110.7D7 L8 E52 L53 Q54 I58 L171 V176D7-K56 HydrophobicContact CB-CB 4.26Å; D7-K56 WeakPolarHBondContact OD2-CA 3.43Å; L8-K56 HydrophobicContact CD1-CD 3.8Å; L8-K56 HydrophobicContact CG-CD 4.46Å; E52-K56 WeakPolarHBondContact CA-O 3.39Å; L53-K56 PolarHBondContact N-O 2.63Å; L53-K56 WeakPolarHBondContact O-CB 3.23Å; L53-K56 PolarHBondContact O-N 3.34Å; Q54-K56 PolarHBondContact O-N 3.23Å; K56-I58 HydrophobicContact CB-CG1 4.23Å; K56-I58 PolarHBondContact O-N 2.98Å; K56-L171 HydrophobicContact CD-CD1 4.15Å; K56-V176 VanDerWaalsContact NZ-CG1 3.35Å
57K96.4Very high92.9Very high106 Ų10644.6 Ų44.646%0.46123%0.23SC..EExtended strand (participates in β ladder)trans-79.8108.6168.8-68.3-177.2-179.4-178.30109.1D7 L8 T50D7-K57 PolarHBondContact N-O 2.93Å; D7-K57 PolarHBondContact OD2-N 3Å; L8-K57 PolarHBondContact N-O 2.8Å; T50-K57 HydrophobicContact CG2-CB 4.37Å
58I97.5Very high91.8Very high0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-107.6118.3-177.4-51.5-172.7000108.8L8 F10 T50 V51 L53 K56 L60 L171L8-I58 HydrophobicContact CB-CG1 4.27Å; L8-I58 HydrophobicContact CB-CG2 4.28Å; L8-I58 HydrophobicContact CD1-CD1 4.31Å; L8-I58 HydrophobicContact CD1-CG1 4.41Å; L8-I58 CarbonylContact O-C 3.57Å; L8-I58 WeakPolarHBondContact O-CA 2.81Å; F10-I58 HydrophobicContact CB-CG2 4.38Å; F10-I58 HydrophobicContact CD1-CG2 4.25Å; F10-I58 HydrophobicContact CD2-CG2 3.42Å; F10-I58 VanDerWaalsContact CD2-CG2 3.42Å; F10-I58 HydrophobicContact CE1-CG2 4.41Å; F10-I58 HydrophobicContact CE2-CD1 3.73Å; F10-I58 HydrophobicContact CE2-CG2 3.61Å; F10-I58 HydrophobicContact CG-CG2 3.75Å; F10-I58 HydrophobicContact CZ-CD1 4.03Å; F10-I58 HydrophobicContact CZ-CG2 4.11Å; T50-I58 CarbonylContact C-O 3.41Å; T50-I58 WeakPolarHBondContact CA-O 3.13Å; V51-I58 HydrophobicContact CG2-CB 4.07Å; V51-I58 PolarHBondContact N-O 2.93Å; V51-I58 PolarHBondContact O-N 2.86Å; L53-I58 HydrophobicContact CB-CD1 3.92Å; L53-I58 HydrophobicContact CD1-CD1 4.23Å; K56-I58 HydrophobicContact CB-CG1 4.23Å; K56-I58 PolarHBondContact O-N 2.98Å; I58-L60 HydrophobicContact CG2-CD2 3.81Å; I58-L171 HydrophobicContact CD1-CD1 4.19Å; I58-L171 HydrophobicContact CD1-CD2 4.08Å
59K97Very high90.4Very high42 Ų4246.4 Ų46.418%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-85.2112.2172.5-174.3175.4-72.2179.30108.9Y6 L8 L9 F10 I48Y6-K59 HydrophobicContact CD1-CB 4.3Å; Y6-K59 HydrophobicContact CD1-CD 4.07Å; Y6-K59 VanDerWaalsContact CD1-NZ 3.33Å; Y6-K59 HydrophobicContact CD2-CB 4.01Å; Y6-K59 HydrophobicContact CE1-CD 4.05Å; Y6-K59 VanDerWaalsContact CE1-NZ 3.34Å; Y6-K59 HydrophobicContact CE2-CB 4.5Å; Y6-K59 HydrophobicContact CG-CB 3.88Å; Y6-K59 HydrophobicContact CG-CD 4.5Å; L8-K59 PolarHBondContact O-N 3.23Å; L9-K59 WeakPolarHBondContact CA-O 3.09Å; L9-K59 HydrophobicContact CD1-CB 3.83Å; L9-K59 HydrophobicContact CD1-CD 3.83Å; L9-K59 HydrophobicContact CD1-CG 3.79Å; F10-K59 PolarHBondContact N-O 2.7Å; I48-K59 HydrophobicContact CG2-CD 3.7Å; I48-K59 HydrophobicContact CG2-CG 3.38Å
60L97.9Very high89.2Confident0 Ų053.4 Ų53.40%026%0.262CS..EExtended strand (participates in β ladder)trans-87.9120173.8-53.7-178.6000109.2F10 L12 F29 I48 K49 V51 I58 I62 A167F10-L60 HydrophobicContact CB-CD2 3.87Å; F10-L60 HydrophobicContact CD2-CD2 3.98Å; F10-L60 HydrophobicContact CG-CD2 4.35Å; L12-L60 HydrophobicContact CD1-CB 4.47Å; L12-L60 HydrophobicContact CD1-CD1 4.27Å; L12-L60 HydrophobicContact CD1-CD2 4.29Å; F29-L60 HydrophobicContact CE1-CD1 3.99Å; F29-L60 HydrophobicContact CZ-CD1 4Å; I48-L60 VanDerWaalsContact CA-O 3.28Å; I48-L60 WeakPolarHBondContact CA-O 3.32Å; K49-L60 PolarHBondContact N-O 3.49Å; K49-L60 WeakPolarHBondContact O-CA 3.5Å; K49-L60 WeakPolarHBondContact O-CB 3.27Å; K49-L60 PolarHBondContact O-N 2.89Å; V51-L60 HydrophobicContact CG1-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD2 4.43Å; V51-L60 HydrophobicContact CG2-CG 4.07Å; I58-L60 HydrophobicContact CG2-CD2 3.81Å; L60-I62 HydrophobicContact CB-CD1 4.28Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; L60-A167 HydrophobicContact CD2-CB 4.07Å
61Q96.2Very high87.8Confident48 Ų4852.4 Ų52.422%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-95.7105.3168.2-80.2-173.1-22.200108.3L9 F10 L12 F46 I48L9-Q61 HydrophobicContact CD1-CG 3.71Å; L9-Q61 HydrophobicContact CG-CG 4.44Å; F10-Q61 PolarHBondContact O-N 2.9Å; L12-Q61 PolarHBondContact N-O 3.09Å; F46-Q61 HydrophobicContact CE2-CB 3.78Å; F46-Q61 HydrophobicContact CE2-CG 3.87Å; F46-Q61 HydrophobicContact CZ-CB 4.28Å; F46-Q61 HydrophobicContact CZ-CG 3.86Å; I48-Q61 HydrophobicContact CG1-CG 4.4Å
62I96.3Very high86.3Confident0 Ų053.9 Ų53.90%026%0.258CS..EExtended strand (participates in β ladder)trans-109.5118.5-173.3-47168.4000108.4L12 L14 L26 F29 K47 L60 F163L12-I62 HydrophobicContact CB-CG1 4.3Å; L12-I62 HydrophobicContact CB-CG2 4.37Å; L12-I62 HydrophobicContact CD1-CG1 4.28Å; L12-I62 WeakPolarHBondContact O-CA 3.26Å; L14-I62 HydrophobicContact CD1-CG2 4.25Å; L14-I62 HydrophobicContact CG-CG2 4.07Å; L26-I62 HydrophobicContact CD1-CB 3.74Å; L26-I62 HydrophobicContact CD1-CD1 3.87Å; L26-I62 HydrophobicContact CD1-CG1 4.42Å; L26-I62 HydrophobicContact CD1-CG2 3.59Å; F29-I62 HydrophobicContact CD1-CD1 3.63Å; F29-I62 HydrophobicContact CE1-CD1 3.63Å; K47-I62 PolarHBondContact N-O 3.34Å; K47-I62 PolarHBondContact O-N 2.89Å; L60-I62 HydrophobicContact CB-CD1 4.28Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; I62-F163 HydrophobicContact CD1-CD1 4.04Å; I62-F163 HydrophobicContact CD1-CE1 3.73Å; I62-F163 HydrophobicContact CD1-CZ 4.49Å; I62-F163 HydrophobicContact CG1-CE1 4.38Å; I62-F163 HydrophobicContact CG2-CE1 4.02Å
63W93.9Very high84.9Confident55 Ų5553.4 Ų53.421%0.20826%0.264CS..EExtended strand (participates in β ladder)trans-101.7114.5-179.7-62.187.6000108.9L12 L13 L14 I44 F46 Y78L12-W63 PolarHBondContact O-N 2.92Å; L13-W63 HydrophobicContact CD1-CB 3.63Å; L14-W63 PolarHBondContact N-O 3.23Å; I44-W63 HydrophobicContact CG2-CE3 3.71Å; I44-W63 HydrophobicContact CG2-CZ3 4.4Å; F46-W63 HydrophobicContact CB-CE3 3.98Å; F46-W63 HydrophobicContact CB-CZ3 4Å; F46-W63 AromaticContact CD2-CD2 3.54Å; F46-W63 HydrophobicContact CD2-CD2 3.54Å; F46-W63 AromaticContact CD2-CE2 3.5Å; F46-W63 VanDerWaalsContact CD2-CE2 3.5Å; F46-W63 AromaticContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CG 4.16Å; F46-W63 AromaticContact CD2-CH2 3.87Å; F46-W63 HydrophobicContact CD2-CH2 3.87Å; F46-W63 AromaticContact CD2-CZ2 3.7Å; F46-W63 HydrophobicContact CD2-CZ2 3.7Å; F46-W63 AromaticContact CD2-CZ3 3.83Å; F46-W63 HydrophobicContact CD2-CZ3 3.83Å; F46-W63 AromaticContact CD2-NE1 3.97Å; F46-W63 HydrophobicContact CE2-CD2 4.15Å; F46-W63 AromaticContact CE2-CE2 3.61Å; F46-W63 HydrophobicContact CE2-CH2 4.19Å; F46-W63 AromaticContact CE2-CZ2 3.67Å; F46-W63 HydrophobicContact CE2-CZ2 3.67Å; F46-W63 AromaticContact CE2-NE1 3.82Å; F46-W63 HydrophobicContact CG-CD2 4.47Å; F46-W63 HydrophobicContact CG-CE3 4.18Å; F46-W63 HydrophobicContact CG-CH2 4.29Å; F46-W63 HydrophobicContact CG-CZ3 4.08Å; W63-Y78 HydrophobicContact CB-CD1 4.48Å; W63-Y78 AromaticContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CD1 3.82Å; W63-Y78 AromaticContact CD2-CE1 3.85Å; W63-Y78 HydrophobicContact CD2-CE1 3.85Å; W63-Y78 AromaticContact CE3-CD1 3.77Å; W63-Y78 HydrophobicContact CE3-CD1 3.77Å; W63-Y78 AromaticContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CG-CD1 4.17Å; W63-Y78 HydrophobicContact CH2-CE1 4.03Å; W63-Y78 HydrophobicContact CZ2-CE1 4.48Å; W63-Y78 HydrophobicContact CZ3-CD1 4.28Å; W63-Y78 AromaticContact CZ3-CE1 3.46Å; W63-Y78 HydrophobicContact CZ3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.46Å
64D90.6Very high83.5Confident0 Ų055.5 Ų55.50%027%0.274CS..EExtended strand (participates in β ladder)trans-91.8122.8172.8179.939.2000109.6K22 T23 L26 I44 D45K22-D64 WeakPolarHBondContact CB-OD1 2.85Å; T23-D64 VanDerWaalsContact CA-OD2 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.06Å; T23-D64 VanDerWaalsContact CB-OD2 3.27Å; T23-D64 WeakPolarHBondContact CB-OD2 3.2Å; T23-D64 PolarHBondContact OG1-OD2 3.03Å; L26-D64 HydrophobicContact CD2-CB 3.66Å; I44-D64 CarbonylContact C-O 3.45Å; I44-D64 VanDerWaalsContact CA-O 3.27Å; I44-D64 WeakPolarHBondContact CA-O 3.37Å; I44-D64 WeakPolarHBondContact CG2-O 3.32Å; D45-D64 HydrophobicContact CB-CB 4.26Å; D45-D64 PolarHBondContact N-O 3.17Å; D45-D64 PolarHBondContact O-N 3Å
65T83.8Confident82.5Confident1 Ų149.5 Ų49.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-101.1142.6-175.863.70000111.6L13 L14 K22 I44 G67 T75L13-T65 HydrophobicContact CD1-CG2 3.45Å; L13-T65 VanDerWaalsContact CD1-CG2 3.45Å; L13-T65 HydrophobicContact CG-CG2 4.2Å; L14-T65 PolarHBondContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 3Å; K22-T65 WeakPolarHBondContact CE-O 3.2Å; I44-T65 HydrophobicContact CD1-CG2 4.36Å; I44-T65 HydrophobicContact CG1-CG2 4.34Å; T65-G67 PolarHBondContact O-N 3.36Å; T65-T75 HydrophobicContact CG2-CG2 4.11Å
66A79.9Confident81.6Confident2 Ų249 Ų492%0.01723%0.231CC..PPolyproline II helixtrans-61.4129.4165.700000109.6T41 G43 Q68 F71T41-A66 VanDerWaalsContact O-CB 3.26Å; T41-A66 WeakPolarHBondContact O-CB 3.34Å; G43-A66 WeakPolarHBondContact O-CB 3.44Å; G43-A66 PolarHBondContact O-N 3.08Å; A66-Q68 VanDerWaalsContact C-N 3.25Å; A66-Q68 PolarHBondContact O-N 3.46Å; A66-F71 HydrophobicContact CB-CB 4.08Å; A66-F71 HydrophobicContact CB-CD2 3.43Å; A66-F71 VanDerWaalsContact CB-CD2 3.43Å; A66-F71 HydrophobicContact CB-CE2 4.14Å; A66-F71 HydrophobicContact CB-CG 3.99Å
67G71.8Confident81Confident10 Ų1049.8 Ų49.810%0.10324%0.243CC..  trans-85.69.2178.400000114.3G16 S18 T65G16-G67 WeakPolarHBondContact O-CA 3.14Å; S18-G67 PolarHBondContact N-O 2.91Å; T65-G67 PolarHBondContact O-N 3.36Å
68Q70.5Confident80.5Confident62 Ų6247.5 Ų47.529%0.2923%0.231SC..SBendtrans-86.4144.3179.8-60.4-71.448.400110.7S18 A66 R70 F71S18-Q68 VanDerWaalsContact CB-OE1 3.26Å; A66-Q68 VanDerWaalsContact C-N 3.25Å; A66-Q68 PolarHBondContact O-N 3.46Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.4Å; Q68-F71 HydrophobicContact CB-CD2 4.04Å; Q68-F71 PolarHBondContact O-N 2.99Å
69E64.8Low80.2Confident109 Ų10947.5 Ų47.551%0.50923%0.232SC..G310 helixtrans-58.8-36.3-175.169.8-61.7144.100113.9F71 H72E69-F71 PolarHBondContact O-N 3.26Å; E69-F71 VanDerWaalsContact O-N 3.08Å; E69-H72 WeakPolarHBondContact O-CB 3.44Å; E69-H72 VanDerWaalsContact O-CG 3.28Å; E69-H72 PolarHBondContact O-N 2.83Å; E69-H72 VanDerWaalsContact O-N 3.1Å; E69-H72 PolarHBondContact O-ND1 3.35Å
70R69.7Low79.8Confident202 Ų20254.5 Ų54.576%0.76226%0.257SS*.G310 helixtrans-64.1-12.8178.3-71.8-177.2-70.9162.31.1113.8Q68Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.4Å
71F67.5Low79.4Confident52 Ų5256.1 Ų56.123%0.22827%0.273CS..G310 helixtrans-106.63.7177.2-61.6-59.9000113.9I42 A66 Q68 E69 T73 I74 T75I42-F71 HydrophobicContact CG2-CZ 3.95Å; A66-F71 HydrophobicContact CB-CB 4.08Å; A66-F71 HydrophobicContact CB-CD2 3.43Å; A66-F71 VanDerWaalsContact CB-CD2 3.43Å; A66-F71 HydrophobicContact CB-CE2 4.14Å; A66-F71 HydrophobicContact CB-CG 3.99Å; Q68-F71 HydrophobicContact CB-CD2 4.04Å; Q68-F71 PolarHBondContact O-N 2.99Å; E69-F71 PolarHBondContact O-N 3.26Å; E69-F71 VanDerWaalsContact O-N 3.08Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 2.56Å; F71-I74 HydrophobicContact CD1-CD1 3.67Å; F71-I74 HydrophobicContact CE1-CD1 4.4Å; F71-I74 WeakPolarHBondContact O-CA 3.29Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 PolarHBondContact O-N 3.44Å; F71-T75 PolarHBondContact O-N 2.98Å; F71-T75 VanDerWaalsContact O-N 3.1Å; F71-T75 PolarHBondContact O-OG1 3Å
72H66.8Low79.4Confident46 Ų4653.8 Ų53.821%0.21326%0.262CS..Hα-helixtrans-54.8-41.8-177.9-74.3166.4000113.8E69 I74 T75 T76E69-H72 WeakPolarHBondContact O-CB 3.44Å; E69-H72 VanDerWaalsContact O-CG 3.28Å; E69-H72 PolarHBondContact O-N 2.83Å; E69-H72 VanDerWaalsContact O-N 3.1Å; E69-H72 PolarHBondContact O-ND1 3.35Å; H72-I74 PolarHBondContact O-N 2.88Å; H72-T75 WeakPolarHBondContact O-CB 3.33Å; H72-T75 PolarHBondContact O-N 2.79Å; H72-T75 VanDerWaalsContact O-N 3.12Å; H72-T76 PolarHBondContact O-N 2.65Å; H72-T76 PolarHBondContact O-OG1 3.32Å
73T66.6Low79.4Confident123 Ų12356.8 Ų56.876%0.75528%0.277SS*.Hα-helixtrans-61.2-35177.5-50.30000112F71F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 2.56Å
74I65.6Low79.6Confident70 Ų7054.1 Ų54.136%0.35927%0.267SS..Hα-helixtrans-65.6-50.1175.2-52.2-172.4000108.3I44 F71 H72 T76 S77 Y78I44-I74 HydrophobicContact CD1-CG2 3.47Å; I44-I74 VanDerWaalsContact CD1-CG2 3.47Å; I44-I74 HydrophobicContact CG1-CG2 4.18Å; F71-I74 HydrophobicContact CD1-CD1 3.67Å; F71-I74 HydrophobicContact CE1-CD1 4.4Å; F71-I74 WeakPolarHBondContact O-CA 3.29Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 PolarHBondContact O-N 3.44Å; H72-I74 PolarHBondContact O-N 2.88Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 2.67Å; I74-S77 PolarHBondContact O-N 2.87Å; I74-S77 VanDerWaalsContact O-N 3.13Å; I74-S77 PolarHBondContact O-OG 3.41Å; I74-Y78 HydrophobicContact CG2-CD2 4.47Å; I74-Y78 HydrophobicContact CG2-CE2 3.86Å; I74-Y78 WeakPolarHBondContact O-CD2 3.3Å
75T71.2Confident80Confident2 Ų254.2 Ų54.21%0.01227%0.267CS..Hα-helixtrans-53.4-42.8178.8-49.10000112.4I15 T65 F71 H72 S77 Y78 Y79I15-T75 HydrophobicContact CG2-CG2 4.19Å; T65-T75 HydrophobicContact CG2-CG2 4.11Å; F71-T75 PolarHBondContact O-N 2.98Å; F71-T75 VanDerWaalsContact O-N 3.1Å; F71-T75 PolarHBondContact O-OG1 3Å; H72-T75 WeakPolarHBondContact O-CB 3.33Å; H72-T75 PolarHBondContact O-N 2.79Å; H72-T75 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact O-N 3.4Å; T75-Y78 PolarHBondContact O-N 2.92Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 3.66Å; T75-Y79 WeakPolarHBondContact O-CD2 3.46Å
76T75.7Confident80.7Confident52 Ų5254.1 Ų54.132%0.31927%0.267SS..Hα-helixtrans-51.5-41.6179.1-58.50000112.9H72 I74 Y78 Y79 H110H72-T76 PolarHBondContact O-N 2.65Å; H72-T76 PolarHBondContact O-OG1 3.32Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 2.67Å; T76-Y78 PolarHBondContact O-N 3.28Å; T76-Y79 PolarHBondContact O-N 3.19Å; T76-H110 HydrophobicContact CG2-CB 4.27Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.35Å
77S81.5Confident81.5Confident64 Ų6454.2 Ų54.245%0.44827%0.267SS..Hα-helixtrans-66.9-22.6-179.671.50000114I74 T75I74-S77 PolarHBondContact O-N 2.87Å; I74-S77 VanDerWaalsContact O-N 3.13Å; I74-S77 PolarHBondContact O-OG 3.41Å; T75-S77 PolarHBondContact O-N 3.4Å
78Y85.7Confident82.8Confident57 Ų5753.7 Ų53.722%0.22426%0.262CS..Hα-helixtrans-88.4-19.9-176.5-72.7-97.2000113.6K11 I44 W63 I74 T75 T76 R80K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 3.23Å; I44-Y78 HydrophobicContact CD1-CD1 4.18Å; I44-Y78 HydrophobicContact CD1-CD2 3.22Å; I44-Y78 HydrophobicContact CD1-CE1 3.97Å; I44-Y78 HydrophobicContact CD1-CE2 2.99Å; I44-Y78 HydrophobicContact CD1-CG 3.83Å; I44-Y78 HydrophobicContact CG1-CE2 4.41Å; I44-Y78 HydrophobicContact CG2-CE1 4.23Å; W63-Y78 HydrophobicContact CB-CD1 4.48Å; W63-Y78 AromaticContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CD1 3.82Å; W63-Y78 AromaticContact CD2-CE1 3.85Å; W63-Y78 HydrophobicContact CD2-CE1 3.85Å; W63-Y78 AromaticContact CE3-CD1 3.77Å; W63-Y78 HydrophobicContact CE3-CD1 3.77Å; W63-Y78 AromaticContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CG-CD1 4.17Å; W63-Y78 HydrophobicContact CH2-CE1 4.03Å; W63-Y78 HydrophobicContact CZ2-CE1 4.48Å; W63-Y78 HydrophobicContact CZ3-CD1 4.28Å; W63-Y78 AromaticContact CZ3-CE1 3.46Å; W63-Y78 HydrophobicContact CZ3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.46Å; I74-Y78 HydrophobicContact CG2-CD2 4.47Å; I74-Y78 HydrophobicContact CG2-CE2 3.86Å; I74-Y78 WeakPolarHBondContact O-CD2 3.3Å; T75-Y78 PolarHBondContact O-N 2.92Å; T76-Y78 PolarHBondContact O-N 3.28Å; Y78-R80 PolarHBondContact O-N 3.15Å
79Y90.9Very high84.1Confident1 Ų150.8 Ų50.80%0.00425%0.248CC..Hα-helixtrans-58.3-37.3171.3-72.9-88.2000111.4L13 I15 T75 T76 G81 A82 I85 N106 I107 H110 A111L13-Y79 HydrophobicContact CD2-CD1 4.21Å; L13-Y79 HydrophobicContact CD2-CD2 4.48Å; L13-Y79 HydrophobicContact CD2-CE1 4.38Å; L13-Y79 HydrophobicContact CD2-CG 4.28Å; I15-Y79 HydrophobicContact CD1-CE1 4.13Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 3.66Å; T75-Y79 WeakPolarHBondContact O-CD2 3.46Å; T76-Y79 PolarHBondContact O-N 3.19Å; Y79-G81 PolarHBondContact O-N 3.23Å; Y79-A82 WeakPolarHBondContact O-CB 3.32Å; Y79-A82 PolarHBondContact O-N 3.09Å; Y79-I85 HydrophobicContact CD1-CD1 3.63Å; Y79-I85 HydrophobicContact CE1-CD1 4.02Å; Y79-N106 WeakPolarHBondContact OH-CB 3.38Å; Y79-I107 HydrophobicContact CD1-CG1 4.35Å; Y79-I107 HydrophobicContact CE1-CB 4.24Å; Y79-I107 HydrophobicContact CE1-CG1 3.64Å; Y79-H110 WeakPolarHBondContact CB-O 3.36Å; Y79-H110 HydrophobicContact CD2-CB 4.11Å; Y79-H110 HydrophobicContact CG-CB 3.92Å; Y79-A111 HydrophobicContact CD1-CB 4.17Å
80R88.6Confident85.7Confident189 Ų18945.9 Ų45.971%0.71323%0.226SC*.THydrogen-bonded Turntrans-58.7122.5178-172.6177.6-66.8129.20.3110.8K11 Y78 A82K11-R80 PolarHBondContact NZ-O 2.88Å; Y78-R80 PolarHBondContact O-N 3.15Å; R80-A82 PolarHBondContact O-N 2.99Å
81G90.7Very high87.1Confident33 Ų3336.3 Ų36.334%0.3419%0.189SC..THydrogen-bonded Turntrans69.98.3-179.900000114.9Y79 M83Y79-G81 PolarHBondContact O-N 3.23Å; G81-M83 PolarHBondContact O-N 2.97Å
82A95.5Very high88.6Confident0 Ų035.5 Ų35.50%019%0.189CC..  trans-63.3130164.500000108.4L13 Y79 R80 I85 V115L13-A82 HydrophobicContact CB-CB 4.41Å; Y79-A82 WeakPolarHBondContact O-CB 3.32Å; Y79-A82 PolarHBondContact O-N 3.09Å; R80-A82 PolarHBondContact O-N 2.99Å; A82-I85 HydrophobicContact CB-CD1 4.29Å; A82-I85 HydrophobicContact CB-CG1 4.03Å; A82-V115 WeakPolarHBondContact O-CG2 3.48Å
83M97.3Very high90.1Very high62 Ų6236.2 Ų36.231%0.30519%0.194SC..SBendtrans-93.4-28.6177.4-61.2172.972.600110.7F10 K11 G81 E116 I170F10-M83 HydrophobicContact CB-SD 4.32Å; F10-M83 HydrophobicContact CD1-CE 3.45Å; F10-M83 VanDerWaalsContact CD1-CE 3.45Å; F10-M83 HydrophobicContact CD1-SD 3.83Å; F10-M83 HydrophobicContact CE1-CE 3.75Å; F10-M83 HydrophobicContact CG-CE 4.35Å; F10-M83 HydrophobicContact CG-SD 4.42Å; K11-M83 PolarHBondContact O-N 3.35Å; G81-M83 PolarHBondContact O-N 2.97Å; M83-E116 PolarHBondContact O-N 2.67Å; M83-I170 HydrophobicContact CB-CD1 4.12Å; M83-I170 HydrophobicContact CB-CG1 4.48Å; M83-I170 HydrophobicContact CB-CG2 3.96Å; M83-I170 HydrophobicContact CE-CG2 3.61Å
84G98Very high91.6Very high0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-138.9145172.200000112.2K11 L12 L13 E116K11-G84 PolarHBondContact O-N 3.25Å; L12-G84 CarbonylContact C-O 3.57Å; L12-G84 VanDerWaalsContact CA-O 3.27Å; L12-G84 WeakPolarHBondContact CA-O 3.28Å; L13-G84 PolarHBondContact N-O 3.19Å; G84-E116 CarbonylContact C-O 3.54Å; G84-E116 VanDerWaalsContact CA-O 3.23Å; G84-E116 WeakPolarHBondContact CA-O 3.35Å
85I97.7Very high93.1Very high1 Ų134.8 Ų34.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-128.7126.1176.7-59.1178.8000109L13 I15 Y79 A82 I107 A111 V115 E116 R117 M118L13-I85 HydrophobicContact CB-CG1 4.18Å; L13-I85 WeakPolarHBondContact O-CA 3.42Å; I15-I85 HydrophobicContact CD1-CG2 3.73Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-I85 HydrophobicContact CG2-CG2 4.48Å; Y79-I85 HydrophobicContact CD1-CD1 3.63Å; Y79-I85 HydrophobicContact CE1-CD1 4.02Å; A82-I85 HydrophobicContact CB-CD1 4.29Å; A82-I85 HydrophobicContact CB-CG1 4.03Å; I85-I107 HydrophobicContact CD1-CG1 4.03Å; I85-I107 HydrophobicContact CD1-CG2 3.96Å; I85-I107 HydrophobicContact CG2-CD1 3.98Å; I85-I107 HydrophobicContact CG2-CG1 4.2Å; I85-A111 HydrophobicContact CD1-CB 3.96Å; I85-V115 HydrophobicContact CD1-CG2 3.86Å; I85-V115 HydrophobicContact CG1-CG2 3.74Å; I85-E116 PolarHBondContact N-O 3.15Å; I85-R117 WeakPolarHBondContact O-CA 3.28Å; I85-M118 PolarHBondContact O-N 2.89Å
86M98.5Very high94.4Very high0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-103.3115.9170.7-51.3177.6100.200108.9L13 L14 I15 M118 L120 A162 F163 L166L13-M86 PolarHBondContact O-N 2.84Å; L14-M86 HydrophobicContact CD2-CB 3.62Å; L14-M86 HydrophobicContact CD2-CG 3.97Å; L14-M86 HydrophobicContact CD2-SD 3.63Å; I15-M86 PolarHBondContact N-O 3.32Å; M86-M118 CarbonylContact C-O 3.35Å; M86-M118 WeakPolarHBondContact CA-O 3.37Å; M86-M118 HydrophobicContact CE-SD 3.69Å; M86-L120 HydrophobicContact CB-CD1 4.3Å; M86-L120 HydrophobicContact CE-CD1 3.79Å; M86-L120 HydrophobicContact CE-CD2 4.28Å; M86-L120 HydrophobicContact CE-CG 4.39Å; M86-L120 HydrophobicContact SD-CD1 4.4Å; M86-A162 HydrophobicContact CE-CB 3.59Å; M86-F163 HydrophobicContact CE-CD1 4.31Å; M86-F163 HydrophobicContact CE-CD2 4.34Å; M86-F163 HydrophobicContact CE-CE1 4.47Å; M86-F163 HydrophobicContact CE-CE2 4.5Å; M86-F163 HydrophobicContact CE-CG 4.24Å; M86-F163 HydrophobicContact SD-CD1 3.71Å; M86-F163 HydrophobicContact SD-CD2 4.42Å; M86-F163 HydrophobicContact SD-CE1 3.44Å; M86-F163 WeakPolarHBondContact SD-CE1 3.2Å; M86-F163 HydrophobicContact SD-CE2 4.2Å; M86-F163 HydrophobicContact SD-CG 4.2Å; M86-F163 HydrophobicContact SD-CZ 3.71Å; M86-L166 HydrophobicContact CG-CD2 3.43Å; M86-L166 VanDerWaalsContact CG-CD2 3.43Å; M86-L166 HydrophobicContact SD-CD2 4.19Å
87L97.6Very high95.5Very high3 Ų333.7 Ų33.72%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-94.7121.6176.4175.155.1000109.4I15 I100 W103 L104 M118 L119 L120I15-L87 HydrophobicContact CD1-CD1 4.01Å; I15-L87 HydrophobicContact CG1-CB 4.22Å; I15-L87 HydrophobicContact CG1-CD1 3.8Å; L87-I100 HydrophobicContact CD1-CD1 3.77Å; L87-I100 HydrophobicContact CD2-CB 4.48Å; L87-I100 HydrophobicContact CD2-CD1 3.7Å; L87-I100 HydrophobicContact CD2-CG2 3.8Å; L87-I100 HydrophobicContact CG-CD1 3.5Å; L87-W103 HydrophobicContact CD1-CB 3.37Å; L87-W103 HydrophobicContact CD1-CD2 4.44Å; L87-W103 HydrophobicContact CD1-CG 3.66Å; L87-W103 HydrophobicContact CD2-CB 3.92Å; L87-W103 HydrophobicContact CG-CB 4.32Å; L87-L104 HydrophobicContact CD2-CD2 3.99Å; L87-L104 HydrophobicContact CD2-CG 3.82Å; L87-M118 PolarHBondContact N-O 2.76Å; L87-L119 HydrophobicContact CB-CD1 4.34Å; L87-L119 HydrophobicContact CD2-CD1 4.21Å; L87-L119 HydrophobicContact CG-CD1 3.98Å; L87-L119 CarbonylContact O-C 3.51Å; L87-L119 WeakPolarHBondContact O-CA 3.44Å; L87-L120 PolarHBondContact O-N 2.85Å
88V98.4Very high96.3Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-115.7131.4-171.2-167.20000110.8I15 V20 K22 L120 N122I15-V88 PolarHBondContact O-N 3.46Å; V20-V88 HydrophobicContact CB-CG1 4.33Å; V20-V88 HydrophobicContact CG2-CB 3.9Å; V20-V88 HydrophobicContact CG2-CG1 3.87Å; K22-V88 HydrophobicContact CG-CB 4.1Å; K22-V88 HydrophobicContact CG-CG2 4.13Å; V88-L120 WeakPolarHBondContact CA-O 3.46Å; V88-L120 HydrophobicContact CG1-CB 4.3Å; V88-L120 HydrophobicContact CG2-CB 4.28Å; V88-L120 HydrophobicContact CG2-CD1 4.15Å; V88-N122 HydrophobicContact CG1-CB 3.76Å
89Y98.6Very high96.8Very high0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-121.6167.1163.471.4-85000110.6I91 F97 I100 L119 L120 G121 N122 V132 F148Y89-I91 HydrophobicContact CE2-CG2 3.93Å; Y89-F97 HydrophobicContact CD1-CD2 4.01Å; Y89-F97 HydrophobicContact CD2-CB 4.04Å; Y89-F97 AromaticContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CG 4.43Å; Y89-F97 AromaticContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CE2 4.22Å; Y89-F97 AromaticContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CG-CB 4.37Å; Y89-F97 AromaticContact CG-CD2 3.98Å; Y89-F97 HydrophobicContact CG-CD2 3.98Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; Y89-I100 HydrophobicContact CD1-CD1 4.15Å; Y89-I100 HydrophobicContact CD1-CG1 4.35Å; Y89-I100 HydrophobicContact CG-CD1 4.49Å; Y89-L119 HydrophobicContact CD1-CD1 3.85Å; Y89-L119 HydrophobicContact CD1-CG 4.28Å; Y89-L119 HydrophobicContact CE1-CD1 4.1Å; Y89-L119 HydrophobicContact CE1-CD2 4.16Å; Y89-L119 HydrophobicContact CE1-CG 4.02Å; Y89-L120 VanDerWaalsContact CD1-O 3.28Å; Y89-L120 WeakPolarHBondContact CD1-O 3.29Å; Y89-L120 PolarHBondContact N-O 2.94Å; Y89-G121 VanDerWaalsContact CE1-CA 3.42Å; Y89-N122 PolarHBondContact O-N 3.21Å; Y89-V132 HydrophobicContact CD2-CG1 4.47Å; Y89-V132 HydrophobicContact CE2-CB 4.02Å; Y89-V132 HydrophobicContact CE2-CG1 3.71Å; Y89-V132 HydrophobicContact CE2-CG2 4.38Å; Y89-F148 HydrophobicContact CE1-CE2 4.06Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.48Å
90D98.6Very high97.1Very high7 Ų736.5 Ų36.54%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-104.5124175.8172.1-4.1000109.6V20 T92 N93 S96 K123V20-D90 HydrophobicContact CB-CB 4.2Å; V20-D90 HydrophobicContact CG1-CB 4.21Å; D90-T92 VanDerWaalsContact CG-OG1 3.25Å; D90-T92 PolarHBondContact O-N 3.46Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 WeakPolarHBondContact OD1-CB 3.49Å; D90-T92 PolarHBondContact OD1-N 3.41Å; D90-T92 PolarHBondContact OD1-OG1 3.06Å; D90-T92 PolarHBondContact OD2-OG1 2.93Å; D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 PolarHBondContact O-N 3.35Å; D90-S96 PolarHBondContact N-OG 3.25Å; D90-S96 PolarHBondContact O-OG 3.03Å; D90-K123 WeakPolarHBondContact OD2-CD 3.49Å; D90-K123 VanDerWaalsContact OD2-CE 3.26Å; D90-K123 WeakPolarHBondContact OD2-CE 3.47Å; D90-K123 IonicContact OD2-NZ 3.14Å; D90-K123 PolarHBondContact OD2-NZ 3.27Å
91I98.8Very high97.4Very high0 Ų030 Ų300%017%0.166CC..THydrogen-bonded Turntrans-62.8-17.5-177.764.5144.8000113.6Y89 N122 K123 R130 V131 V132Y89-I91 HydrophobicContact CE2-CG2 3.93Å; I91-N122 WeakPolarHBondContact CG1-O 3.32Å; I91-N122 PolarHBondContact N-O 3.32Å; I91-K123 WeakPolarHBondContact CD1-O 3.45Å; I91-K123 HydrophobicContact CG1-CB 4.5Å; I91-K123 WeakPolarHBondContact CG1-O 3.42Å; I91-R130 HydrophobicContact CD1-CB 4.14Å; I91-R130 HydrophobicContact CD1-CG 4.25Å; I91-R130 VanDerWaalsContact CD1-CZ 3.47Å; I91-V131 PolarHBondContact O-N 3.19Å; I91-V132 PolarHBondContact O-N 3.42Å
92T98.5Very high97.5Very high36 Ų3632.4 Ų32.422%0.22117%0.167CC..THydrogen-bonded Turntrans-94.8-2.2177.972.70000112.9D90 M126 K129 V131D90-T92 VanDerWaalsContact CG-OG1 3.25Å; D90-T92 PolarHBondContact O-N 3.46Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 WeakPolarHBondContact OD1-CB 3.49Å; D90-T92 PolarHBondContact OD1-N 3.41Å; D90-T92 PolarHBondContact OD1-OG1 3.06Å; D90-T92 PolarHBondContact OD2-OG1 2.93Å; T92-M126 HydrophobicContact CG2-CB 3.71Å; T92-M126 HydrophobicContact CG2-CE 4.31Å; T92-M126 HydrophobicContact CG2-SD 4.47Å; T92-K129 WeakPolarHBondContact CB-O 3.21Å; T92-K129 HydrophobicContact CG2-CB 3.92Å; T92-V131 VanDerWaalsContact C-CG2 3.4Å; T92-V131 WeakPolarHBondContact O-CG2 3.46Å
93N98.2Very high97.5Very high60 Ų6032.6 Ų32.632%0.32117%0.168SC..  trans-127.198.1-178.4-176.6-17.6000111.5D90 K95 S96D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 PolarHBondContact O-N 3.35Å; N93-K95 VanDerWaalsContact C-N 3.31Å; N93-K95 PolarHBondContact O-N 3.29Å; N93-K95 WeakPolarHBondContact OD1-CB 3.31Å; N93-K95 PolarHBondContact OD1-N 2.91Å; N93-K95 VanDerWaalsContact OD1-N 3.17Å; N93-S96 WeakPolarHBondContact O-CB 3.47Å; N93-S96 PolarHBondContact O-N 3.45Å; N93-S96 VanDerWaalsContact O-N 3.13Å; N93-S96 PolarHBondContact O-OG 3.34Å; N93-S96 PolarHBondContact OD1-N 2.86Å
94G98.2Very high97.3Very high25 Ų2529.8 Ų29.826%0.25815%0.154SC..Hα-helixtrans-58.1-38.4-179.100000113.9S96 F97 E98 V131G94-S96 VanDerWaalsContact C-N 3.29Å; G94-S96 PolarHBondContact O-N 2.81Å; G94-F97 WeakPolarHBondContact O-CB 3.44Å; G94-F97 PolarHBondContact O-N 2.85Å; G94-E98 WeakPolarHBondContact O-CG 3.27Å; G94-E98 PolarHBondContact O-N 2.9Å; G94-V131 VanDerWaalsContact N-CG2 3.31Å
95K98Very high97.1Very high138 Ų13835.9 Ų35.960%0.618%0.177SC*.Hα-helixtrans-61.7-38.1178.1-175.7176.4-179.8178.10112.2N93 F97 E98 N99N93-K95 VanDerWaalsContact C-N 3.31Å; N93-K95 PolarHBondContact O-N 3.29Å; N93-K95 WeakPolarHBondContact OD1-CB 3.31Å; N93-K95 PolarHBondContact OD1-N 2.91Å; N93-K95 VanDerWaalsContact OD1-N 3.17Å; K95-F97 PolarHBondContact O-N 2.67Å; K95-E98 PolarHBondContact O-N 3.19Å; K95-N99 WeakPolarHBondContact O-CB 3.47Å; K95-N99 PolarHBondContact O-N 2.9Å; K95-N99 PolarHBondContact O-ND2 3.48Å
96S97.8Very high96.9Very high1 Ų137.3 Ų37.31%0.00719%0.185CC..Hα-helixtrans-63.6-31.3176.576.60000112.6D17 D90 N93 G94D17-S96 WeakPolarHBondContact OD2-CA 3.43Å; D90-S96 PolarHBondContact N-OG 3.25Å; D90-S96 PolarHBondContact O-OG 3.03Å; N93-S96 WeakPolarHBondContact O-CB 3.47Å; N93-S96 PolarHBondContact O-N 3.45Å; N93-S96 VanDerWaalsContact O-N 3.13Å; N93-S96 PolarHBondContact O-OG 3.34Å; N93-S96 PolarHBondContact OD1-N 2.86Å; G94-S96 VanDerWaalsContact C-N 3.29Å; G94-S96 PolarHBondContact O-N 2.81Å
97F98.5Very high96.6Very high30 Ų3037.4 Ų37.413%0.13219%0.185CC..Hα-helixtrans-77-41.6174.3-177.7-99.8000112.2Y89 G94 K95 N99 I100 V132 K136 I140Y89-F97 HydrophobicContact CD1-CD2 4.01Å; Y89-F97 HydrophobicContact CD2-CB 4.04Å; Y89-F97 AromaticContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CG 4.43Å; Y89-F97 AromaticContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CE2 4.22Å; Y89-F97 AromaticContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CG-CB 4.37Å; Y89-F97 AromaticContact CG-CD2 3.98Å; Y89-F97 HydrophobicContact CG-CD2 3.98Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; G94-F97 WeakPolarHBondContact O-CB 3.44Å; G94-F97 PolarHBondContact O-N 2.85Å; K95-F97 PolarHBondContact O-N 2.67Å; F97-N99 PolarHBondContact O-N 3.47Å; F97-I100 HydrophobicContact CD2-CG1 4.26Å; F97-I100 WeakPolarHBondContact O-CB 3.39Å; F97-I100 WeakPolarHBondContact O-CG1 3.38Å; F97-I100 PolarHBondContact O-N 3.34Å; F97-V132 HydrophobicContact CB-CG1 4.11Å; F97-V132 HydrophobicContact CB-CG2 3.73Å; F97-V132 HydrophobicContact CD1-CG1 4.05Å; F97-V132 HydrophobicContact CD2-CG1 3.72Å; F97-V132 HydrophobicContact CE1-CG1 4.45Å; F97-V132 HydrophobicContact CE2-CG1 4.15Å; F97-V132 HydrophobicContact CG-CG1 3.67Å; F97-V132 HydrophobicContact CG-CG2 4.2Å; F97-K136 HydrophobicContact CE1-CB 3.91Å; F97-K136 HydrophobicContact CE1-CD 4.07Å; F97-K136 HydrophobicContact CE2-CB 4.41Å; F97-K136 HydrophobicContact CZ-CB 3.66Å; F97-I140 HydrophobicContact CE2-CG2 4.03Å; F97-I140 HydrophobicContact CZ-CG2 4.09Å
98E97.8Very high96.5Very high136 Ų13641.5 Ų41.564%0.63621%0.207SC*.Hα-helixtrans-57.8-37.2174.9-69.9166.6-173.600112.1G94 K95 I100 S101G94-E98 WeakPolarHBondContact O-CG 3.27Å; G94-E98 PolarHBondContact O-N 2.9Å; K95-E98 PolarHBondContact O-N 3.19Å; E98-I100 PolarHBondContact O-N 3.31Å; E98-S101 PolarHBondContact O-OG 2.95Å
99N96.5Very high96.3Very high44 Ų4447.7 Ų47.724%0.23524%0.236CC..THydrogen-bonded Turntrans-72.3-10178.1-74.1-26.5000114.3D17 K95 F97 S101 K102 W103D17-N99 WeakPolarHBondContact OD1-CB 3.27Å; D17-N99 PolarHBondContact OD1-ND2 3.03Å; D17-N99 PolarHBondContact OD2-ND2 3.02Å; K95-N99 WeakPolarHBondContact O-CB 3.47Å; K95-N99 PolarHBondContact O-N 2.9Å; K95-N99 PolarHBondContact O-ND2 3.48Å; F97-N99 PolarHBondContact O-N 3.47Å; N99-S101 PolarHBondContact O-N 3.45Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.43Å; N99-W103 PolarHBondContact O-N 3.39Å; N99-W103 VanDerWaalsContact O-N 3.12Å
100I96.9Very high96Very high1 Ų151 Ų511%0.00525%0.251CS..Hα-helixtrans-54.8-41.1177.6-70-64.7000111.8L87 Y89 F97 E98 K102 W103 L104 L119 I140L87-I100 HydrophobicContact CD1-CD1 3.77Å; L87-I100 HydrophobicContact CD2-CB 4.48Å; L87-I100 HydrophobicContact CD2-CD1 3.7Å; L87-I100 HydrophobicContact CD2-CG2 3.8Å; L87-I100 HydrophobicContact CG-CD1 3.5Å; Y89-I100 HydrophobicContact CD1-CD1 4.15Å; Y89-I100 HydrophobicContact CD1-CG1 4.35Å; Y89-I100 HydrophobicContact CG-CD1 4.49Å; F97-I100 HydrophobicContact CD2-CG1 4.26Å; F97-I100 WeakPolarHBondContact O-CB 3.39Å; F97-I100 WeakPolarHBondContact O-CG1 3.38Å; F97-I100 PolarHBondContact O-N 3.34Å; E98-I100 PolarHBondContact O-N 3.31Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.45Å; I100-W103 PolarHBondContact O-N 3.18Å; I100-W103 VanDerWaalsContact O-N 3.12Å; I100-L104 HydrophobicContact CG2-CD1 3.69Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.05Å; I100-L119 HydrophobicContact CD1-CD1 3.62Å; I100-L119 HydrophobicContact CG1-CD1 4.28Å; I100-L119 HydrophobicContact CG2-CD1 4.22Å; I100-I140 HydrophobicContact CB-CD1 4.28Å; I100-I140 HydrophobicContact CG2-CD1 3.55Å; I100-I140 HydrophobicContact CG2-CG1 4.46Å
101S95.1Very high95.8Very high53 Ų5351.5 Ų51.537%0.37126%0.256SS..Hα-helixtrans-59.1-37.8177.9650000112.6E98 N99 R105E98-S101 PolarHBondContact O-OG 2.95Å; N99-S101 PolarHBondContact O-N 3.45Å; S101-R105 WeakPolarHBondContact O-CG 3.25Å; S101-R105 PolarHBondContact O-N 3.11Å; S101-R105 VanDerWaalsContact O-N 3.15Å; S101-R105 PolarHBondContact O-NH1 3.37Å
102K93.4Very high95.5Very high83 Ų8354.9 Ų54.936%0.36128%0.275SS..Hα-helixtrans-68.4-43.1175.6179.8-174.5174.5-176.50111.2N99 I100 L104 R105 N106N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.43Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.45Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-R105 PolarHBondContact O-N 3.15Å; K102-N106 PolarHBondContact O-N 3.32Å; K102-N106 PolarHBondContact O-OD1 2.99Å
103W94.1Very high95.2Very high4 Ų462.6 Ų62.62%0.01531%0.308CS..Hα-helixtrans-65.5-36.9177.9-70.2111000112.9I15 G16 D17 L87 N99 I100 N106 I107I15-W103 HydrophobicContact CB-CE3 4.11Å; I15-W103 HydrophobicContact CB-CZ3 4.27Å; I15-W103 HydrophobicContact CD1-CB 4.23Å; I15-W103 HydrophobicContact CD1-CE3 4.07Å; I15-W103 HydrophobicContact CG1-CE3 4.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.31Å; D17-W103 PolarHBondContact OD1-NE1 3.07Å; L87-W103 HydrophobicContact CD1-CB 3.37Å; L87-W103 HydrophobicContact CD1-CD2 4.44Å; L87-W103 HydrophobicContact CD1-CG 3.66Å; L87-W103 HydrophobicContact CD2-CB 3.92Å; L87-W103 HydrophobicContact CG-CB 4.32Å; N99-W103 PolarHBondContact O-N 3.39Å; N99-W103 VanDerWaalsContact O-N 3.12Å; I100-W103 PolarHBondContact O-N 3.18Å; I100-W103 VanDerWaalsContact O-N 3.12Å; W103-N106 PolarHBondContact O-N 2.91Å; W103-I107 WeakPolarHBondContact O-CG1 3.28Å; W103-I107 PolarHBondContact O-N 2.75Å; W103-I107 VanDerWaalsContact O-N 3.09Å
104L95.1Very high95Very high3 Ų364.7 Ų64.72%0.01632%0.32CS..Hα-helixtrans-63.4-46.6174-73.2165.6000111.4L87 I100 K102 N106 I107 D108 I140 I146L87-L104 HydrophobicContact CD2-CD2 3.99Å; L87-L104 HydrophobicContact CD2-CG 3.82Å; I100-L104 HydrophobicContact CG2-CD1 3.69Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.05Å; K102-L104 VanDerWaalsContact C-N 3.34Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 3.47Å; L104-I107 HydrophobicContact CD2-CD1 4.21Å; L104-I107 WeakPolarHBondContact O-CA 3.42Å; L104-I107 WeakPolarHBondContact O-CB 3.42Å; L104-I107 PolarHBondContact O-N 2.8Å; L104-D108 PolarHBondContact O-N 2.88Å; L104-I140 HydrophobicContact CD1-CD1 4.37Å; L104-I140 HydrophobicContact CD1-CG1 4.48Å; L104-I146 HydrophobicContact CD2-CD1 4.16Å
105R93.8Very high94.9Very high129 Ų12963.9 Ų63.949%0.48731%0.309SS..Hα-helixtrans-56.6-42.6173.5-71.1-170.2-57.7-92.14.9112.4S101 K102 I107 D108 E109S101-R105 WeakPolarHBondContact O-CG 3.25Å; S101-R105 PolarHBondContact O-N 3.11Å; S101-R105 VanDerWaalsContact O-N 3.15Å; S101-R105 PolarHBondContact O-NH1 3.37Å; K102-R105 PolarHBondContact O-N 3.15Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.97Å; R105-D108 PolarHBondContact O-N 2.81Å; R105-D108 VanDerWaalsContact O-N 3.15Å; R105-E109 WeakPolarHBondContact O-CG 3.32Å; R105-E109 PolarHBondContact O-N 3.24Å
106N91.8Very high94.9Very high30 Ų3058.9 Ų58.916%0.1629%0.288CS..Hα-helixtrans-62.4-34.5176.2-70.5-1.6000112.7Y79 K102 W103 L104 H110Y79-N106 WeakPolarHBondContact OH-CB 3.38Å; K102-N106 PolarHBondContact O-N 3.32Å; K102-N106 PolarHBondContact O-OD1 2.99Å; W103-N106 PolarHBondContact O-N 2.91Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 3.47Å; N106-H110 PolarHBondContact O-N 2.9Å; N106-H110 PolarHBondContact O-ND1 2.88Å
107I93.9Very high94.9Very high2 Ų261 Ų611%0.0130%0.296CS..Hα-helixtrans-64.2-50.2172.9-65.7161.1000109.3I15 Y79 I85 W103 L104 R105 E109 H110 A111 V115 R117I15-I107 HydrophobicContact CD1-CD1 3.72Å; I15-I107 HydrophobicContact CD1-CG1 3.72Å; Y79-I107 HydrophobicContact CD1-CG1 4.35Å; Y79-I107 HydrophobicContact CE1-CB 4.24Å; Y79-I107 HydrophobicContact CE1-CG1 3.64Å; I85-I107 HydrophobicContact CD1-CG1 4.03Å; I85-I107 HydrophobicContact CD1-CG2 3.96Å; I85-I107 HydrophobicContact CG2-CD1 3.98Å; I85-I107 HydrophobicContact CG2-CG1 4.2Å; W103-I107 WeakPolarHBondContact O-CG1 3.28Å; W103-I107 PolarHBondContact O-N 2.75Å; W103-I107 VanDerWaalsContact O-N 3.09Å; L104-I107 HydrophobicContact CD2-CD1 4.21Å; L104-I107 WeakPolarHBondContact O-CA 3.42Å; L104-I107 WeakPolarHBondContact O-CB 3.42Å; L104-I107 PolarHBondContact O-N 2.8Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.97Å; I107-E109 VanDerWaalsContact C-N 3.27Å; I107-E109 PolarHBondContact O-N 2.96Å; I107-H110 PolarHBondContact O-N 2.81Å; I107-A111 HydrophobicContact CG2-CB 3.87Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 3.35Å; I107-V115 HydrophobicContact CG2-CG1 4.04Å; I107-R117 HydrophobicContact CG2-CG 4.37Å
108D94.5Very high94.9Very high90 Ų9059.6 Ų59.648%0.48129%0.29SS..Hα-helixtrans-59.7-36.5-178.6-66-38.8000112.7L104 R105 R117L104-D108 PolarHBondContact O-N 2.88Å; R105-D108 PolarHBondContact O-N 2.81Å; R105-D108 VanDerWaalsContact O-N 3.15Å; D108-R117 IonicContact OD1-CZ 3.29Å; D108-R117 IonicContact OD1-NH1 2.75Å; D108-R117 PolarHBondContact OD1-NH1 3.15Å; D108-R117 IonicContact OD1-NH2 2.65Å; D108-R117 PolarHBondContact OD1-NH2 2.72Å
109E93.6Very high94.9Very high130 Ų13053.1 Ų53.161%0.60726%0.26SS*.Hα-helixtrans-76.3-27.6-178.7-73.6170.9-173.100114.2R105 I107R105-E109 WeakPolarHBondContact O-CG 3.32Å; R105-E109 PolarHBondContact O-N 3.24Å; I107-E109 VanDerWaalsContact C-N 3.27Å; I107-E109 PolarHBondContact O-N 2.96Å
110H92.7Very high95Very high68 Ų6851 Ų5132%0.31525%0.249SC..Hα-helixtrans-130.1-18.9-164.6-53.3105.8000115.8T76 Y79 N106 I107T76-H110 HydrophobicContact CG2-CB 4.27Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.35Å; Y79-H110 WeakPolarHBondContact CB-O 3.36Å; Y79-H110 HydrophobicContact CD2-CB 4.11Å; Y79-H110 HydrophobicContact CG-CB 3.92Å; N106-H110 PolarHBondContact O-N 2.9Å; N106-H110 PolarHBondContact O-ND1 2.88Å; I107-H110 PolarHBondContact O-N 2.81Å
111A94.4Very high95.1Very high18 Ų1851 Ų5115%0.14925%0.248CC..SBendtrans-87.4166.3177.300000111.2Y79 I85 I107 V115Y79-A111 HydrophobicContact CD1-CB 4.17Å; I85-A111 HydrophobicContact CD1-CB 3.96Å; I107-A111 HydrophobicContact CG2-CB 3.87Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 3.35Å; A111-V115 HydrophobicContact CB-CB 4.27Å; A111-V115 HydrophobicContact CB-CG1 3.8Å; A111-V115 HydrophobicContact CB-CG2 4.49Å
112N93.2Very high95.3Very high71 Ų7148.6 Ų48.638%0.3823%0.231SC..  trans-68.8148.8170.4-60.9-7.9000110.1D114 V115N112-D114 WeakPolarHBondContact CB-OD1 3.27Å; N112-D114 PolarHBondContact O-N 3.12Å; N112-V115 VanDerWaalsContact O-CB 3.29Å; N112-V115 WeakPolarHBondContact O-CB 3.5Å; N112-V115 WeakPolarHBondContact O-CG1 3.27Å; N112-V115 PolarHBondContact O-N 3.32Å; N112-V115 VanDerWaalsContact O-N 3.15Å
113E92.1Very high95.5Very high199 Ų19947.1 Ų47.193%0.9323%0.225SC*.THydrogen-bonded Turntrans-58.9-30179.4-65.9-178.9178.300113.2V115E113-V115 VanDerWaalsContact C-N 3.33Å
114D92.8Very high95.8Very high104 Ų10447.9 Ų47.956%0.55623%0.231SC*.THydrogen-bonded Turntrans-84.5-4.3-177.467.3-28.9000114.3N112 E116 K173N112-D114 WeakPolarHBondContact CB-OD1 3.27Å; N112-D114 PolarHBondContact O-N 3.12Å; D114-E116 PolarHBondContact O-N 3.38Å; D114-K173 PolarHBondContact O-NZ 3.12Å
115V96.9Very high95.9Very high7 Ų750.3 Ų50.34%0.04224%0.244CC..  trans-55.3130.8-176.472.80000111.8A82 I85 I107 A111 N112 E113 R117A82-V115 WeakPolarHBondContact O-CG2 3.48Å; I85-V115 HydrophobicContact CD1-CG2 3.86Å; I85-V115 HydrophobicContact CG1-CG2 3.74Å; I107-V115 HydrophobicContact CG2-CG1 4.04Å; A111-V115 HydrophobicContact CB-CB 4.27Å; A111-V115 HydrophobicContact CB-CG1 3.8Å; A111-V115 HydrophobicContact CB-CG2 4.49Å; N112-V115 VanDerWaalsContact O-CB 3.29Å; N112-V115 WeakPolarHBondContact O-CB 3.5Å; N112-V115 WeakPolarHBondContact O-CG1 3.27Å; N112-V115 PolarHBondContact O-N 3.32Å; N112-V115 VanDerWaalsContact O-N 3.15Å; E113-V115 VanDerWaalsContact C-N 3.33Å; V115-R117 HydrophobicContact CG1-CG 4.09Å
116E98Very high96.1Very high33 Ų3346.9 Ų46.915%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-77139.8172.3-72.9-63.5167.600111.2M83 G84 I85 D114 L166 D169 I170 K173M83-E116 PolarHBondContact O-N 2.67Å; G84-E116 CarbonylContact C-O 3.54Å; G84-E116 VanDerWaalsContact CA-O 3.23Å; G84-E116 WeakPolarHBondContact CA-O 3.35Å; I85-E116 PolarHBondContact N-O 3.15Å; D114-E116 PolarHBondContact O-N 3.38Å; E116-L166 HydrophobicContact CB-CD1 3.55Å; E116-D169 HydrophobicContact CG-CB 4.14Å; E116-I170 HydrophobicContact CB-CG1 3.79Å; E116-I170 HydrophobicContact CG-CG1 3.69Å; E116-K173 VanDerWaalsContact CD-NZ 3.26Å; E116-K173 HydrophobicContact CG-CD 4.32Å; E116-K173 WeakPolarHBondContact OE1-CD 3.22Å; E116-K173 WeakPolarHBondContact OE1-CE 3.13Å; E116-K173 IonicContact OE1-NZ 2.63Å; E116-K173 PolarHBondContact OE1-NZ 3Å; E116-K173 IonicContact OE2-NZ 2.93Å
117R97.6Very high96.4Very high45 Ų4549.9 Ų49.917%0.1725%0.25CC..EExtended strand (participates in β ladder)trans-129.2138.7-173.1-57.1172.9-164.8-169.6-3.9110.2I85 I107 D108 V115 I146 R147I85-R117 WeakPolarHBondContact O-CA 3.28Å; I107-R117 HydrophobicContact CG2-CG 4.37Å; D108-R117 IonicContact OD1-CZ 3.29Å; D108-R117 IonicContact OD1-NH1 2.75Å; D108-R117 PolarHBondContact OD1-NH1 3.15Å; D108-R117 IonicContact OD1-NH2 2.65Å; D108-R117 PolarHBondContact OD1-NH2 2.72Å; V115-R117 HydrophobicContact CG1-CG 4.09Å; R117-I146 HydrophobicContact CB-CB 4.18Å; R117-I146 HydrophobicContact CB-CG2 3.52Å; R117-I146 HydrophobicContact CG-CG2 4.44Å; R117-R147 PolarHBondContact O-N 3.47Å
118M98.5Very high96.6Very high1 Ų158 Ų581%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-139.6135177.1-179.2175.8-6900110.5I85 M86 L87 L120 R147 F149 A162 T165 L166I85-M118 PolarHBondContact O-N 2.89Å; M86-M118 CarbonylContact C-O 3.35Å; M86-M118 WeakPolarHBondContact CA-O 3.37Å; M86-M118 HydrophobicContact CE-SD 3.69Å; L87-M118 PolarHBondContact N-O 2.76Å; M118-L120 HydrophobicContact CG-CD2 3.92Å; M118-L120 HydrophobicContact SD-CD2 3.83Å; M118-R147 HydrophobicContact CB-CB 4.35Å; M118-R147 HydrophobicContact CE-CB 3.79Å; M118-R147 HydrophobicContact CE-CG 4.21Å; M118-R147 HydrophobicContact CG-CB 4.02Å; M118-F149 HydrophobicContact CE-CD2 4.04Å; M118-F149 HydrophobicContact CE-CE2 3.73Å; M118-F149 HydrophobicContact CG-CD2 4.44Å; M118-F149 HydrophobicContact SD-CD2 3.67Å; M118-F149 HydrophobicContact SD-CE2 4.01Å; M118-A162 WeakPolarHBondContact CE-O 3.28Å; M118-A162 HydrophobicContact SD-CB 3.82Å; M118-T165 HydrophobicContact CE-CG2 3.92Å; M118-L166 HydrophobicContact CB-CD1 4.45Å; M118-L166 HydrophobicContact CE-CB 3.88Å
119L98.8Very high96.8Very high0 Ų060.3 Ų60.30%030%0.299CS..EExtended strand (participates in β ladder)trans-96.8132.1172.8-177.466.5000110.5L87 Y89 I100 I140 A141 I146 R147 F148 F149L87-L119 HydrophobicContact CB-CD1 4.34Å; L87-L119 HydrophobicContact CD2-CD1 4.21Å; L87-L119 HydrophobicContact CG-CD1 3.98Å; L87-L119 CarbonylContact O-C 3.51Å; L87-L119 WeakPolarHBondContact O-CA 3.44Å; Y89-L119 HydrophobicContact CD1-CD1 3.85Å; Y89-L119 HydrophobicContact CD1-CG 4.28Å; Y89-L119 HydrophobicContact CE1-CD1 4.1Å; Y89-L119 HydrophobicContact CE1-CD2 4.16Å; Y89-L119 HydrophobicContact CE1-CG 4.02Å; I100-L119 HydrophobicContact CD1-CD1 3.62Å; I100-L119 HydrophobicContact CG1-CD1 4.28Å; I100-L119 HydrophobicContact CG2-CD1 4.22Å; L119-I140 HydrophobicContact CD2-CG2 3.39Å; L119-A141 HydrophobicContact CD2-CB 4.4Å; L119-I146 HydrophobicContact CB-CD1 3.91Å; L119-R147 PolarHBondContact N-O 2.99Å; L119-F148 HydrophobicContact CB-CD2 4.1Å; L119-F148 HydrophobicContact CD2-CD2 3.89Å; L119-F148 HydrophobicContact CD2-CE2 4.34Å; L119-F148 HydrophobicContact CG-CD2 3.91Å; L119-F148 HydrophobicContact CG-CE2 4.39Å; L119-F148 VanDerWaalsContact O-CA 3.32Å; L119-F148 WeakPolarHBondContact O-CA 3.39Å; L119-F148 WeakPolarHBondContact O-CD2 3.36Å; L119-F149 PolarHBondContact O-N 3.02Å
120L98.9Very high97Very high1 Ų157 Ų571%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-118.7120.9175.5-56.8-173.9000111V25 M86 L87 V88 Y89 M118 F149 T151 A162V25-L120 HydrophobicContact CG1-CD1 4.43Å; M86-L120 HydrophobicContact CB-CD1 4.3Å; M86-L120 HydrophobicContact CE-CD1 3.79Å; M86-L120 HydrophobicContact CE-CD2 4.28Å; M86-L120 HydrophobicContact CE-CG 4.39Å; M86-L120 HydrophobicContact SD-CD1 4.4Å; L87-L120 PolarHBondContact O-N 2.85Å; V88-L120 WeakPolarHBondContact CA-O 3.46Å; V88-L120 HydrophobicContact CG1-CB 4.3Å; V88-L120 HydrophobicContact CG2-CB 4.28Å; V88-L120 HydrophobicContact CG2-CD1 4.15Å; Y89-L120 VanDerWaalsContact CD1-O 3.28Å; Y89-L120 WeakPolarHBondContact CD1-O 3.29Å; Y89-L120 PolarHBondContact N-O 2.94Å; M118-L120 HydrophobicContact CG-CD2 3.92Å; M118-L120 HydrophobicContact SD-CD2 3.83Å; L120-F149 CarbonylContact C-O 3.56Å; L120-F149 VanDerWaalsContact CA-O 3.29Å; L120-F149 WeakPolarHBondContact CA-O 3.28Å; L120-F149 HydrophobicContact CD2-CB 3.95Å; L120-T151 HydrophobicContact CD1-CG2 4.39Å; L120-T151 HydrophobicContact CD2-CG2 3.99Å; L120-A162 HydrophobicContact CD2-CB 3.84Å
121G98.8Very high97.3Very high0 Ų057.9 Ų57.90%029%0.291CS..EExtended strand (participates in β ladder)trans-89.194.8163.700000109.9Y89 F149 E150 T151Y89-G121 VanDerWaalsContact CE1-CA 3.42Å; G121-F149 PolarHBondContact N-O 3.34Å; G121-E150 CarbonylContact O-C 3.57Å; G121-E150 VanDerWaalsContact O-CA 3.22Å; G121-E150 WeakPolarHBondContact O-CA 3.49Å; G121-T151 PolarHBondContact O-N 2.94Å
122N98.8Very high97.5Very high3 Ų357.2 Ų57.22%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-85.1163.5-175.3-171.335.7000112.6V20 V88 Y89 I91 T151 A153V20-N122 PolarHBondContact O-ND2 3.31Å; V88-N122 HydrophobicContact CG1-CB 3.76Å; Y89-N122 PolarHBondContact O-N 3.21Å; I91-N122 WeakPolarHBondContact CG1-O 3.32Å; I91-N122 PolarHBondContact N-O 3.32Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 VanDerWaalsContact CA-O 3.27Å; N122-T151 WeakPolarHBondContact CA-O 3.32Å; N122-T151 WeakPolarHBondContact CA-OG1 3.46Å; N122-T151 PolarHBondContact OD1-O 3.39Å; N122-T151 PolarHBondContact OD1-OG1 3.26Å; N122-A153 PolarHBondContact OD1-N 2.91Å
123K98.3Very high97.7Very high51 Ų5157 Ų5722%0.22229%0.287CS..  trans68.933.9-177.6-46.5-172.2-166.2167.30113.5G19 D90 I91 D125 M126 T151G19-K123 PolarHBondContact O-NZ 3.18Å; D90-K123 WeakPolarHBondContact OD2-CD 3.49Å; D90-K123 VanDerWaalsContact OD2-CE 3.26Å; D90-K123 WeakPolarHBondContact OD2-CE 3.47Å; D90-K123 IonicContact OD2-NZ 3.14Å; D90-K123 PolarHBondContact OD2-NZ 3.27Å; I91-K123 WeakPolarHBondContact CD1-O 3.45Å; I91-K123 HydrophobicContact CG1-CB 4.5Å; I91-K123 WeakPolarHBondContact CG1-O 3.42Å; K123-D125 WeakPolarHBondContact CA-OD1 3.48Å; K123-D125 PolarHBondContact O-N 2.93Å; K123-D125 VanDerWaalsContact O-N 3.07Å; K123-M126 HydrophobicContact CB-CG 4.42Å; K123-M126 HydrophobicContact CB-SD 4.23Å; K123-M126 HydrophobicContact CD-SD 4.17Å; K123-M126 WeakPolarHBondContact O-CB 3.36Å; K123-M126 PolarHBondContact O-N 3.39Å; K123-T151 PolarHBondContact N-O 2.53Å
124C98.6Very high98Very high20 Ų2052.2 Ų52.214%0.13526%0.263CS..THydrogen-bonded Turntrans-64.5-9.6177.569.60000114.6M126 E150 T151C124-M126 PolarHBondContact O-N 2.97Å; C124-E150 HydrophobicContact CB-CB 3.97Å; C124-T151 PolarHBondContact N-O 3.45Å; C124-T151 PolarHBondContact SG-O 3.29Å
125D98.3Very high98.3Very high54 Ų5449 Ų4929%0.28926%0.255SS..THydrogen-bonded Turntrans-69.6-14.1167.262.3-74.1000113.5K123 S152 K154 A155K123-D125 WeakPolarHBondContact CA-OD1 3.48Å; K123-D125 PolarHBondContact O-N 2.93Å; K123-D125 VanDerWaalsContact O-N 3.07Å; D125-S152 WeakPolarHBondContact CB-OG 3.47Å; D125-S152 VanDerWaalsContact OD1-CB 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.42Å; D125-S152 PolarHBondContact OD1-OG 3.03Å; D125-K154 WeakPolarHBondContact OD2-CD 3.47Å; D125-K154 IonicContact OD2-NZ 2.67Å; D125-A155 HydrophobicContact CB-CB 4Å
126M97.8Very high98.4Very high58 Ų5854 Ų5429%0.28628%0.276SS..  trans-100.642.3-179.9-59.2-176.360.900111.9T92 K123 C124 D128 K129 R130T92-M126 HydrophobicContact CG2-CB 3.71Å; T92-M126 HydrophobicContact CG2-CE 4.31Å; T92-M126 HydrophobicContact CG2-SD 4.47Å; K123-M126 HydrophobicContact CB-CG 4.42Å; K123-M126 HydrophobicContact CB-SD 4.23Å; K123-M126 HydrophobicContact CD-SD 4.17Å; K123-M126 WeakPolarHBondContact O-CB 3.36Å; K123-M126 PolarHBondContact O-N 3.39Å; C124-M126 PolarHBondContact O-N 2.97Å; M126-D128 VanDerWaalsContact C-N 3.27Å; M126-D128 PolarHBondContact O-N 2.86Å; M126-K129 HydrophobicContact CE-CD 3.73Å; M126-K129 CarbonylContact O-C 3.57Å; M126-K129 PolarHBondContact O-N 3.02Å; M126-R130 PolarHBondContact O-N 2.89Å
127D97.7Very high98.4Very high92 Ų9252.4 Ų52.449%0.49227%0.269SS..G310 helixtrans-59.3-35.7-173.2-155.464.9000113K129 R130D127-K129 PolarHBondContact O-N 2.94Å; D127-R130 WeakPolarHBondContact O-CB 3.49Å; D127-R130 PolarHBondContact O-N 3.31Å; D127-R130 IonicContact OD1-CZ 2.94Å; D127-R130 VanDerWaalsContact OD1-CZ 3.27Å; D127-R130 IonicContact OD1-NE 3.4Å; D127-R130 PolarHBondContact OD1-NE 2.87Å; D127-R130 IonicContact OD1-NH2 3.77Å; D127-R130 PolarHBondContact OD1-NH2 2.94Å
128D98.2Very high98.4Very high174 Ų17453.6 Ų53.693%0.9328%0.276SS*.G310 helixtrans-59.6-19.5174.3-62.1-34.3000113.8M126M126-D128 VanDerWaalsContact C-N 3.27Å; M126-D128 PolarHBondContact O-N 2.86Å
129K98.3Very high98.4Very high138 Ų13858.1 Ų58.160%0.630%0.297SS*.G310 helixtrans-111.511.1178.6-57.2-170.5-172.7-179.80112.4T92 M126 D127 V131T92-K129 WeakPolarHBondContact CB-O 3.21Å; T92-K129 HydrophobicContact CG2-CB 3.92Å; M126-K129 HydrophobicContact CE-CD 3.73Å; M126-K129 CarbonylContact O-C 3.57Å; M126-K129 PolarHBondContact O-N 3.02Å; D127-K129 PolarHBondContact O-N 2.94Å; K129-V131 PolarHBondContact O-N 3.4Å
130R98.7Very high98.4Very high61 Ų6159.2 Ų59.223%0.2330%0.303CS..  trans-61.9128.1-179179.3-179.8-67.8-88.29.3110.5I91 M126 D127 V132 E150I91-R130 HydrophobicContact CD1-CB 4.14Å; I91-R130 HydrophobicContact CD1-CG 4.25Å; I91-R130 VanDerWaalsContact CD1-CZ 3.47Å; M126-R130 PolarHBondContact O-N 2.89Å; D127-R130 WeakPolarHBondContact O-CB 3.49Å; D127-R130 PolarHBondContact O-N 3.31Å; D127-R130 IonicContact OD1-CZ 2.94Å; D127-R130 VanDerWaalsContact OD1-CZ 3.27Å; D127-R130 IonicContact OD1-NE 3.4Å; D127-R130 PolarHBondContact OD1-NE 2.87Å; D127-R130 IonicContact OD1-NH2 3.77Å; D127-R130 PolarHBondContact OD1-NH2 2.94Å; R130-V132 WeakPolarHBondContact CD-O 3.19Å; R130-V132 VanDerWaalsContact CG-O 3.23Å; R130-V132 WeakPolarHBondContact CG-O 3.42Å; R130-V132 PolarHBondContact NH1-O 3.27Å; R130-E150 IonicContact CZ-OE1 3.27Å; R130-E150 IonicContact CZ-OE2 3.75Å; R130-E150 IonicContact NH1-OE1 3.62Å; R130-E150 PolarHBondContact NH1-OE1 2.84Å; R130-E150 IonicContact NH1-OE2 3.02Å; R130-E150 IonicContact NH2-OE1 3.79Å; R130-E150 PolarHBondContact NH2-OE1 2.77Å; R130-E150 IonicContact NH2-OE2 2.72Å; R130-E150 PolarHBondContact NH2-OE2 3.06Å
131V98.6Very high98.3Very high85 Ų8559.3 Ų59.352%0.51530%0.304SS..  trans-116.5-16.8171-540000112.1I91 T92 G94 K129 P133I91-V131 PolarHBondContact O-N 3.19Å; T92-V131 VanDerWaalsContact C-CG2 3.4Å; T92-V131 WeakPolarHBondContact O-CG2 3.46Å; G94-V131 VanDerWaalsContact N-CG2 3.31Å; K129-V131 PolarHBondContact O-N 3.4Å; V131-P133 WeakPolarHBondContact O-CD 3.26Å
132V98.5Very high98.3Very high4 Ų467.3 Ų67.32%0.02433%0.334CS..SBendtrans-106.7107.8174.8-172.60000109.1Y89 I91 F97 R130 K136Y89-V132 HydrophobicContact CD2-CG1 4.47Å; Y89-V132 HydrophobicContact CE2-CB 4.02Å; Y89-V132 HydrophobicContact CE2-CG1 3.71Å; Y89-V132 HydrophobicContact CE2-CG2 4.38Å; I91-V132 PolarHBondContact O-N 3.42Å; F97-V132 HydrophobicContact CB-CG1 4.11Å; F97-V132 HydrophobicContact CB-CG2 3.73Å; F97-V132 HydrophobicContact CD1-CG1 4.05Å; F97-V132 HydrophobicContact CD2-CG1 3.72Å; F97-V132 HydrophobicContact CE1-CG1 4.45Å; F97-V132 HydrophobicContact CE2-CG1 4.15Å; F97-V132 HydrophobicContact CG-CG1 3.67Å; F97-V132 HydrophobicContact CG-CG2 4.2Å; R130-V132 WeakPolarHBondContact CD-O 3.19Å; R130-V132 VanDerWaalsContact CG-O 3.23Å; R130-V132 WeakPolarHBondContact CG-O 3.42Å; R130-V132 PolarHBondContact NH1-O 3.27Å; V132-K136 HydrophobicContact CG1-CB 4.35Å
133P98.4Very high98.2Very high67 Ų6773 Ų7344%0.43536%0.36SS..  trans-60139.2173.6-23.133.6000111V131 G135 K136V131-P133 WeakPolarHBondContact O-CD 3.26Å; P133-G135 PolarHBondContact O-N 2.81Å; P133-G135 VanDerWaalsContact O-N 3.15Å; P133-K136 WeakPolarHBondContact O-CB 3.46Å; P133-K136 PolarHBondContact O-N 3.25Å
134K98.6Very high98.1Very high98 Ų9874.5 Ų74.543%0.42637%0.368SS..Hα-helixtrans-51.1-40.8177.6-175.3177.4179.1-165.50112.7K136 G137 E138 F148 E150K134-K136 PolarHBondContact O-N 3.36Å; K134-G137 WeakPolarHBondContact O-CA 3.49Å; K134-G137 PolarHBondContact O-N 2.91Å; K134-E138 WeakPolarHBondContact CE-OE1 3.22Å; K134-E138 HydrophobicContact CG-CG 4.33Å; K134-E138 IonicContact NZ-OE1 2.73Å; K134-E138 PolarHBondContact O-N 3.49Å; K134-F148 HydrophobicContact CG-CE1 3.9Å; K134-F148 HydrophobicContact CG-CZ 4.31Å; K134-E150 WeakPolarHBondContact CA-OE1 3.4Å; K134-E150 VanDerWaalsContact CB-OE1 3.28Å; K134-E150 WeakPolarHBondContact CB-OE1 3.49Å; K134-E150 HydrophobicContact CD-CG 4.25Å; K134-E150 HydrophobicContact CG-CG 4.02Å; K134-E150 WeakPolarHBondContact CG-OE1 3.26Å
135G98.5Very high98Very high36 Ų3677 Ų7737%0.37140%0.398SS..Hα-helixtrans-58.4-27.8178.700000114.5P133 Q139P133-G135 PolarHBondContact O-N 2.81Å; P133-G135 VanDerWaalsContact O-N 3.15Å; G135-Q139 VanDerWaalsContact O-CB 3.24Å; G135-Q139 WeakPolarHBondContact O-CB 3.37Å; G135-Q139 PolarHBondContact O-N 2.99Å
136K98.2Very high97.9Very high113 Ų11375.5 Ų75.549%0.49139%0.389SS..Hα-helixtrans-69.2-42.3173.3-71.2-164175.4-177.30111.7F97 V132 P133 K134 Q139 I140F97-K136 HydrophobicContact CE1-CB 3.91Å; F97-K136 HydrophobicContact CE1-CD 4.07Å; F97-K136 HydrophobicContact CE2-CB 4.41Å; F97-K136 HydrophobicContact CZ-CB 3.66Å; V132-K136 HydrophobicContact CG1-CB 4.35Å; P133-K136 WeakPolarHBondContact O-CB 3.46Å; P133-K136 PolarHBondContact O-N 3.25Å; K134-K136 PolarHBondContact O-N 3.36Å; K136-Q139 PolarHBondContact O-N 3.16Å; K136-I140 WeakPolarHBondContact O-CG2 3.42Å; K136-I140 PolarHBondContact O-N 3.05Å
137G98.4Very high97.9Very high0 Ų078.6 Ų78.60%040%0.398CS..Hα-helixtrans-63.2-42.6174.200000112.1K134 I140 A141K134-G137 WeakPolarHBondContact O-CA 3.49Å; K134-G137 PolarHBondContact O-N 2.91Å; G137-I140 WeakPolarHBondContact O-CG2 3.29Å; G137-A141 VanDerWaalsContact O-CB 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.45Å; G137-A141 PolarHBondContact O-N 3.02Å; G137-A141 VanDerWaalsContact O-N 3.13Å
138E98.5Very high98Very high70 Ų7075.9 Ų75.933%0.32738%0.381SS..Hα-helixtrans-64.9-39.7175.1-65.6173.3165.100112.2K134 R142 F148K134-E138 WeakPolarHBondContact CE-OE1 3.22Å; K134-E138 HydrophobicContact CG-CG 4.33Å; K134-E138 IonicContact NZ-OE1 2.73Å; K134-E138 PolarHBondContact O-N 3.49Å; E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-N 2.84Å; E138-F148 HydrophobicContact CB-CD1 4.37Å; E138-F148 HydrophobicContact CG-CD1 3.52Å; E138-F148 HydrophobicContact CG-CE1 3.56Å
139Q98.4Very high98Very high95 Ų9569.1 Ų69.144%0.44434%0.344SS..Hα-helixtrans-62.5-55178.3176.6178.8-0.100111.6G135 K136 A141 R142 E143G135-Q139 VanDerWaalsContact O-CB 3.24Å; G135-Q139 WeakPolarHBondContact O-CB 3.37Å; G135-Q139 PolarHBondContact O-N 2.99Å; K136-Q139 PolarHBondContact O-N 3.16Å; Q139-A141 PolarHBondContact O-N 3.25Å; Q139-R142 PolarHBondContact O-N 3.3Å; Q139-R142 VanDerWaalsContact O-N 3.12Å; Q139-E143 HydrophobicContact CG-CG 4.46Å; Q139-E143 VanDerWaalsContact CG-OE1 3.22Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.26Å; Q139-E143 PolarHBondContact NE2-OE1 3.47Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.75Å
140I97.6Very high98Very high24 Ų2463.5 Ų63.512%0.12332%0.32CS..Hα-helixtrans-63.2-33-178.1-167.5164.8000111.5F97 I100 L104 L119 K136 G137 E143 H144F97-I140 HydrophobicContact CE2-CG2 4.03Å; F97-I140 HydrophobicContact CZ-CG2 4.09Å; I100-I140 HydrophobicContact CB-CD1 4.28Å; I100-I140 HydrophobicContact CG2-CD1 3.55Å; I100-I140 HydrophobicContact CG2-CG1 4.46Å; L104-I140 HydrophobicContact CD1-CD1 4.37Å; L104-I140 HydrophobicContact CD1-CG1 4.48Å; L119-I140 HydrophobicContact CD2-CG2 3.39Å; K136-I140 WeakPolarHBondContact O-CG2 3.42Å; K136-I140 PolarHBondContact O-N 3.05Å; G137-I140 WeakPolarHBondContact O-CG2 3.29Å; I140-E143 PolarHBondContact O-N 3.31Å; I140-H144 PolarHBondContact O-N 3.13Å; I140-H144 VanDerWaalsContact O-N 3.13Å; I140-H144 PolarHBondContact O-ND1 2.9Å
141A98.1Very high98Very high3 Ų360.6 Ų60.63%0.02531%0.309CS..Hα-helixtrans-66.1-42.5175.600000112.3L119 G137 Q139 H144 G145 I146 F148L119-A141 HydrophobicContact CD2-CB 4.4Å; G137-A141 VanDerWaalsContact O-CB 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.45Å; G137-A141 PolarHBondContact O-N 3.02Å; G137-A141 VanDerWaalsContact O-N 3.13Å; Q139-A141 PolarHBondContact O-N 3.25Å; A141-H144 PolarHBondContact O-N 3.3Å; A141-G145 PolarHBondContact O-N 2.91Å; A141-I146 HydrophobicContact CB-CG1 4.01Å; A141-I146 PolarHBondContact O-N 3.41Å; A141-F148 HydrophobicContact CB-CB 3.58Å; A141-F148 HydrophobicContact CB-CG 4.39Å
142R98Very high98Very high168 Ų16856.5 Ų56.563%0.63428%0.284SS*.Hα-helixtrans-62.5-44.7172.9-74.3-171.6-58-921.1112E138 Q139 H144 G145E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-N 2.84Å; Q139-R142 PolarHBondContact O-N 3.3Å; Q139-R142 VanDerWaalsContact O-N 3.12Å; R142-H144 PolarHBondContact O-N 3.3Å; R142-G145 PolarHBondContact O-N 3.33Å; R142-G145 VanDerWaalsContact O-N 3.16Å
143E97.3Very high98Very high122 Ų12256.4 Ų56.457%0.5728%0.284SS*.Hα-helixtrans-59.7-34.2180-73169-177.300112.5Q139 I140Q139-E143 HydrophobicContact CG-CG 4.46Å; Q139-E143 VanDerWaalsContact CG-OE1 3.22Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.26Å; Q139-E143 PolarHBondContact NE2-OE1 3.47Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.75Å; I140-E143 PolarHBondContact O-N 3.31Å
144H95.6Very high97.9Very high83 Ų8359.3 Ų59.338%0.38429%0.289SS..THydrogen-bonded Turntrans-99.12179.4-63.279000113.6I140 A141 R142 I146I140-H144 PolarHBondContact O-N 3.13Å; I140-H144 VanDerWaalsContact O-N 3.13Å; I140-H144 PolarHBondContact O-ND1 2.9Å; A141-H144 PolarHBondContact O-N 3.3Å; R142-H144 PolarHBondContact O-N 3.3Å; H144-I146 VanDerWaalsContact C-N 3.29Å; H144-I146 HydrophobicContact CB-CD1 4.38Å; H144-I146 HydrophobicContact CB-CG1 4.27Å; H144-I146 HydrophobicContact CB-CG2 4.25Å; H144-I146 WeakPolarHBondContact O-CG2 3.22Å; H144-I146 PolarHBondContact O-N 3.03Å
145G95.9Very high97.9Very high73 Ų7357.2 Ų57.275%0.75329%0.29SS*.THydrogen-bonded Turntrans63.729.5-178.900000114.5A141 R142A141-G145 PolarHBondContact O-N 2.91Å; R142-G145 PolarHBondContact O-N 3.33Å; R142-G145 VanDerWaalsContact O-N 3.16Å
146I97.1Very high97.9Very high22 Ų2259.3 Ų59.311%0.11329%0.293CS..  trans-109.6157-176.665.1177000111.8L104 R117 L119 A141 H144L104-I146 HydrophobicContact CD2-CD1 4.16Å; R117-I146 HydrophobicContact CB-CB 4.18Å; R117-I146 HydrophobicContact CB-CG2 3.52Å; R117-I146 HydrophobicContact CG-CG2 4.44Å; L119-I146 HydrophobicContact CB-CD1 3.91Å; A141-I146 HydrophobicContact CB-CG1 4.01Å; A141-I146 PolarHBondContact O-N 3.41Å; H144-I146 VanDerWaalsContact C-N 3.29Å; H144-I146 HydrophobicContact CB-CD1 4.38Å; H144-I146 HydrophobicContact CB-CG1 4.27Å; H144-I146 HydrophobicContact CB-CG2 4.25Å; H144-I146 WeakPolarHBondContact O-CG2 3.22Å; H144-I146 PolarHBondContact O-N 3.03Å
147R97.5Very high97.9Very high123 Ų12357 Ų5746%0.46429%0.286SS..EExtended strand (participates in β ladder)trans-69.3151.4175.1-62.4-65.2-167.6-175.40.1110.9R117 M118 L119 D169R117-R147 PolarHBondContact O-N 3.47Å; M118-R147 HydrophobicContact CB-CB 4.35Å; M118-R147 HydrophobicContact CE-CB 3.79Å; M118-R147 HydrophobicContact CE-CG 4.21Å; M118-R147 HydrophobicContact CG-CB 4.02Å; L119-R147 PolarHBondContact N-O 2.99Å; R147-D169 IonicContact CZ-OD2 3.38Å; R147-D169 IonicContact NE-OD2 3.7Å; R147-D169 PolarHBondContact NE-OD2 2.95Å; R147-D169 IonicContact NH2-OD1 3.42Å; R147-D169 PolarHBondContact NH2-OD1 3.42Å; R147-D169 IonicContact NH2-OD2 2.68Å
148F98.6Very high97.9Very high34 Ų3459.9 Ų59.915%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-133.5135.5174.5173.6-108.6000112.5Y89 L119 K134 E138 A141 E150Y89-F148 HydrophobicContact CE1-CE2 4.06Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.48Å; L119-F148 HydrophobicContact CB-CD2 4.1Å; L119-F148 HydrophobicContact CD2-CD2 3.89Å; L119-F148 HydrophobicContact CD2-CE2 4.34Å; L119-F148 HydrophobicContact CG-CD2 3.91Å; L119-F148 HydrophobicContact CG-CE2 4.39Å; L119-F148 VanDerWaalsContact O-CA 3.32Å; L119-F148 WeakPolarHBondContact O-CA 3.39Å; L119-F148 WeakPolarHBondContact O-CD2 3.36Å; K134-F148 HydrophobicContact CG-CE1 3.9Å; K134-F148 HydrophobicContact CG-CZ 4.31Å; E138-F148 HydrophobicContact CB-CD1 4.37Å; E138-F148 HydrophobicContact CG-CD1 3.52Å; E138-F148 HydrophobicContact CG-CE1 3.56Å; A141-F148 HydrophobicContact CB-CB 3.58Å; A141-F148 HydrophobicContact CB-CG 4.39Å; F148-E150 HydrophobicContact CE1-CG 4Å; F148-E150 HydrophobicContact CZ-CG 3.59Å
149F98.7Very high97.9Very high32 Ų3256.6 Ų56.614%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-135.5141.5166.8-68.8-76000110.7M118 L119 L120 G121 T151 K161 A162 T165M118-F149 HydrophobicContact CE-CD2 4.04Å; M118-F149 HydrophobicContact CE-CE2 3.73Å; M118-F149 HydrophobicContact CG-CD2 4.44Å; M118-F149 HydrophobicContact SD-CD2 3.67Å; M118-F149 HydrophobicContact SD-CE2 4.01Å; L119-F149 PolarHBondContact O-N 3.02Å; L120-F149 CarbonylContact C-O 3.56Å; L120-F149 VanDerWaalsContact CA-O 3.29Å; L120-F149 WeakPolarHBondContact CA-O 3.28Å; L120-F149 HydrophobicContact CD2-CB 3.95Å; G121-F149 PolarHBondContact N-O 3.34Å; F149-T151 HydrophobicContact CB-CG2 4.2Å; F149-K161 HydrophobicContact CD1-CD 4.5Å; F149-K161 HydrophobicContact CE1-CD 3.83Å; F149-K161 HydrophobicContact CE1-CG 4.14Å; F149-K161 HydrophobicContact CZ-CD 4.33Å; F149-K161 HydrophobicContact CZ-CG 4.18Å; F149-A162 HydrophobicContact CD2-CB 4.04Å; F149-T165 HydrophobicContact CE2-CG2 4.13Å; F149-T165 HydrophobicContact CZ-CG2 4.32Å
150E98.8Very high97.9Very high20 Ų2057.4 Ų57.49%0.09329%0.289CS..EExtended strand (participates in β ladder)trans-83136155.4-67.9-159.6154.500109.5G121 C124 R130 K134 F148 N158G121-E150 CarbonylContact O-C 3.57Å; G121-E150 VanDerWaalsContact O-CA 3.22Å; G121-E150 WeakPolarHBondContact O-CA 3.49Å; C124-E150 HydrophobicContact CB-CB 3.97Å; R130-E150 IonicContact CZ-OE1 3.27Å; R130-E150 IonicContact CZ-OE2 3.75Å; R130-E150 IonicContact NH1-OE1 3.62Å; R130-E150 PolarHBondContact NH1-OE1 2.84Å; R130-E150 IonicContact NH1-OE2 3.02Å; R130-E150 IonicContact NH2-OE1 3.79Å; R130-E150 PolarHBondContact NH2-OE1 2.77Å; R130-E150 IonicContact NH2-OE2 2.72Å; R130-E150 PolarHBondContact NH2-OE2 3.06Å; K134-E150 WeakPolarHBondContact CA-OE1 3.4Å; K134-E150 VanDerWaalsContact CB-OE1 3.28Å; K134-E150 WeakPolarHBondContact CB-OE1 3.49Å; K134-E150 HydrophobicContact CD-CG 4.25Å; K134-E150 HydrophobicContact CG-CG 4.02Å; K134-E150 WeakPolarHBondContact CG-OE1 3.26Å; F148-E150 HydrophobicContact CE1-CG 4Å; F148-E150 HydrophobicContact CZ-CG 3.59Å; E150-N158 WeakPolarHBondContact O-CB 3.38Å; E150-N158 PolarHBondContact O-ND2 2.97Å
151T98.8Very high98Very high0 Ų061.8 Ų61.80%031%0.307CS..EExtended strand (participates in β ladder)trans-130155.8-175.654.20000111.2L120 G121 N122 K123 C124 F149 I157 N158 I159 A162L120-T151 HydrophobicContact CD1-CG2 4.39Å; L120-T151 HydrophobicContact CD2-CG2 3.99Å; G121-T151 PolarHBondContact O-N 2.94Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 VanDerWaalsContact CA-O 3.27Å; N122-T151 WeakPolarHBondContact CA-O 3.32Å; N122-T151 WeakPolarHBondContact CA-OG1 3.46Å; N122-T151 PolarHBondContact OD1-O 3.39Å; N122-T151 PolarHBondContact OD1-OG1 3.26Å; K123-T151 PolarHBondContact N-O 2.53Å; C124-T151 PolarHBondContact N-O 3.45Å; C124-T151 PolarHBondContact SG-O 3.29Å; F149-T151 HydrophobicContact CB-CG2 4.2Å; T151-I157 VanDerWaalsContact CA-O 3.26Å; T151-I157 WeakPolarHBondContact CA-O 3.43Å; T151-N158 HydrophobicContact CG2-CB 4.02Å; T151-I159 HydrophobicContact CG2-CD1 4.36Å; T151-A162 HydrophobicContact CG2-CB 4.43Å
152S98.6Very high98Very high0 Ų061.6 Ų61.60%031%0.306CS..BIsolated β-bridgetrans-136.3111.5165.1174.20000108.8D125 K154 A155 N156 I157D125-S152 WeakPolarHBondContact CB-OG 3.47Å; D125-S152 VanDerWaalsContact OD1-CB 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.42Å; D125-S152 PolarHBondContact OD1-OG 3.03Å; S152-K154 PolarHBondContact O-N 2.81Å; S152-K154 PolarHBondContact OG-N 2.67Å; S152-A155 WeakPolarHBondContact OG-CB 3.4Å; S152-A155 PolarHBondContact OG-N 3.04Å; S152-N156 CarbonylContact O-C 3.58Å; S152-N156 VanDerWaalsContact O-CA 3.22Å; S152-N156 WeakPolarHBondContact O-CA 3.46Å; S152-N156 PolarHBondContact O-N 2.81Å; S152-I157 PolarHBondContact N-O 2.69Å; S152-I157 PolarHBondContact O-N 2.92Å
153A98Very high98Very high2 Ų253.6 Ų53.62%0.01728%0.276CS..THydrogen-bonded Turntrans-62.7-32.4171.100000111.9C24 V25 R28 F34 N122 I159C24-A153 HydrophobicContact CB-CB 3.67Å; V25-A153 HydrophobicContact CG2-CB 4.09Å; R28-A153 HydrophobicContact CB-CB 4.35Å; R28-A153 PolarHBondContact NE-O 2.84Å; F34-A153 HydrophobicContact CD2-CB 4.05Å; F34-A153 HydrophobicContact CE2-CB 4.1Å; N122-A153 PolarHBondContact OD1-N 2.91Å; A153-I159 HydrophobicContact CB-CD1 4.35Å
154K97.6Very high98.1Very high127 Ų12749.9 Ų49.955%0.55226%0.26SS*.THydrogen-bonded Turntrans-71-52.1-179.5-177.1177165.8-160.20111.6F34 D125 S152 N156F34-K154 HydrophobicContact CD1-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.19Å; F34-K154 HydrophobicContact CD2-CB 4.23Å; F34-K154 HydrophobicContact CE1-CB 3.97Å; F34-K154 HydrophobicContact CE1-CD 4.23Å; F34-K154 HydrophobicContact CE1-CG 3.81Å; F34-K154 HydrophobicContact CE2-CB 3.81Å; F34-K154 HydrophobicContact CG-CB 4.49Å; F34-K154 HydrophobicContact CZ-CB 3.67Å; F34-K154 HydrophobicContact CZ-CD 4.36Å; F34-K154 HydrophobicContact CZ-CG 4.01Å; D125-K154 WeakPolarHBondContact OD2-CD 3.47Å; D125-K154 IonicContact OD2-NZ 2.67Å; S152-K154 PolarHBondContact O-N 2.81Å; S152-K154 PolarHBondContact OG-N 2.67Å; K154-N156 VanDerWaalsContact C-N 3.33Å
155A97.8Very high98.2Very high54 Ų5447.3 Ų47.345%0.44625%0.25SC..THydrogen-bonded Turntrans-89.75.6-178.300000113.7D125 S152 I157D125-A155 HydrophobicContact CB-CB 4Å; S152-A155 WeakPolarHBondContact OG-CB 3.4Å; S152-A155 PolarHBondContact OG-N 3.04Å; A155-I157 VanDerWaalsContact C-N 3.29Å; A155-I157 HydrophobicContact CB-CD1 3.84Å; A155-I157 HydrophobicContact CB-CG1 3.93Å; A155-I157 PolarHBondContact O-N 3.33Å
156N98.1Very high98.3Very high80 Ų8043.9 Ų43.943%0.42821%0.214SC..THydrogen-bonded Turntrans53.140.7-176.3-16421.1000114.1R28 S152 K154R28-N156 WeakPolarHBondContact CD-OD1 3.46Å; R28-N156 HydrophobicContact CG-CB 4.45Å; R28-N156 WeakPolarHBondContact CG-OD1 3.44Å; S152-N156 CarbonylContact O-C 3.58Å; S152-N156 VanDerWaalsContact O-CA 3.22Å; S152-N156 WeakPolarHBondContact O-CA 3.46Å; S152-N156 PolarHBondContact O-N 2.81Å; K154-N156 VanDerWaalsContact C-N 3.33Å
157I98.7Very high98.4Very high66 Ų6642.9 Ų42.934%0.33821%0.209SC..BIsolated β-bridgetrans-90.6124.3-179.3-61.3171.5000109.3T151 S152 A155 I159T151-I157 VanDerWaalsContact CA-O 3.26Å; T151-I157 WeakPolarHBondContact CA-O 3.43Å; S152-I157 PolarHBondContact N-O 2.69Å; S152-I157 PolarHBondContact O-N 2.92Å; A155-I157 VanDerWaalsContact C-N 3.29Å; A155-I157 HydrophobicContact CB-CD1 3.84Å; A155-I157 HydrophobicContact CB-CG1 3.93Å; A155-I157 PolarHBondContact O-N 3.33Å; I157-I159 PolarHBondContact O-N 3.03Å
158N98.6Very high98.4Very high59 Ų5940.6 Ų40.632%0.31620%0.204SC..SBendtrans56.311.9175.4-66-40.3000116.1E150 T151 A162E150-N158 WeakPolarHBondContact O-CB 3.38Å; E150-N158 PolarHBondContact O-ND2 2.97Å; T151-N158 HydrophobicContact CG2-CB 4.02Å; N158-A162 VanDerWaalsContact O-CB 3.27Å; N158-A162 WeakPolarHBondContact O-CB 3.35Å; N158-A162 PolarHBondContact O-N 2.67Å
159I98.6Very high98.4Very high2 Ų239.3 Ų39.31%0.0120%0.198CC..Hα-helixtrans-64.6-60.5-176.3-61.2-66.7000110.7V25 R28 F29 T151 A153 I157 K161 A162 F163V25-I159 HydrophobicContact CB-CD1 4.42Å; V25-I159 HydrophobicContact CG1-CD1 4.16Å; V25-I159 HydrophobicContact CG2-CD1 4Å; R28-I159 HydrophobicContact CB-CG2 4.25Å; R28-I159 HydrophobicContact CG-CB 4.15Å; R28-I159 HydrophobicContact CG-CG1 3.87Å; R28-I159 HydrophobicContact CG-CG2 3.92Å; F29-I159 HydrophobicContact CB-CG2 3.73Å; T151-I159 HydrophobicContact CG2-CD1 4.36Å; A153-I159 HydrophobicContact CB-CD1 4.35Å; I157-I159 PolarHBondContact O-N 3.03Å; I159-K161 VanDerWaalsContact C-N 3.32Å; I159-K161 PolarHBondContact O-N 3.23Å; I159-A162 PolarHBondContact O-N 2.82Å; I159-F163 HydrophobicContact CG2-CD2 4.38Å; I159-F163 HydrophobicContact CG2-CE2 4.34Å; I159-F163 WeakPolarHBondContact O-CD2 3.44Å; I159-F163 PolarHBondContact O-N 3.13Å
160E98.1Very high98.3Very high111 Ų11138 Ų3852%0.51919%0.193SC..Hα-helixtrans-59.7-44.1178.1179168-137.200111.7F29 A162 F163 L164F29-E160 HydrophobicContact CE2-CG 4.39Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 3.08Å; E160-F163 PolarHBondContact O-N 3.27Å; E160-L164 HydrophobicContact CG-CD1 3.58Å; E160-L164 HydrophobicContact CG-CG 3.89Å; E160-L164 WeakPolarHBondContact O-CB 3.48Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.43Å
161K98.6Very high98.2Very high116 Ų11637.4 Ų37.450%0.50419%0.19SC..Hα-helixtrans-53.5-47.3177.6-172.9176.9-175.9177.60112F149 I159 L164 T165F149-K161 HydrophobicContact CD1-CD 4.5Å; F149-K161 HydrophobicContact CE1-CD 3.83Å; F149-K161 HydrophobicContact CE1-CG 4.14Å; F149-K161 HydrophobicContact CZ-CD 4.33Å; F149-K161 HydrophobicContact CZ-CG 4.18Å; I159-K161 VanDerWaalsContact C-N 3.32Å; I159-K161 PolarHBondContact O-N 3.23Å; K161-L164 PolarHBondContact O-N 3.22Å; K161-T165 VanDerWaalsContact O-CB 3.28Å; K161-T165 WeakPolarHBondContact O-CB 3.41Å; K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.03Å
162A98.8Very high98.1Very high0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-61.4-47-179.900000112.2M86 M118 L120 F149 T151 N158 I159 E160 L166M86-A162 HydrophobicContact CE-CB 3.59Å; M118-A162 WeakPolarHBondContact CE-O 3.28Å; M118-A162 HydrophobicContact SD-CB 3.82Å; L120-A162 HydrophobicContact CD2-CB 3.84Å; F149-A162 HydrophobicContact CD2-CB 4.04Å; T151-A162 HydrophobicContact CG2-CB 4.43Å; N158-A162 VanDerWaalsContact O-CB 3.27Å; N158-A162 WeakPolarHBondContact O-CB 3.35Å; N158-A162 PolarHBondContact O-N 2.67Å; I159-A162 PolarHBondContact O-N 2.82Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 3.08Å; A162-L166 WeakPolarHBondContact O-CB 3.23Å; A162-L166 PolarHBondContact O-N 3.29Å; A162-L166 VanDerWaalsContact O-N 3.07Å
163F98.6Very high97.8Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-65.8-43.3178.4-80.3-81.3000112.7L12 L14 V25 F29 I62 M86 I159 E160 L166 A167L12-F163 HydrophobicContact CD1-CD1 4Å; L12-F163 HydrophobicContact CD1-CE1 4.45Å; L14-F163 HydrophobicContact CD2-CE1 4.3Å; L14-F163 HydrophobicContact CD2-CZ 4.13Å; V25-F163 HydrophobicContact CG1-CE2 3.68Å; V25-F163 HydrophobicContact CG1-CZ 4.05Å; F29-F163 HydrophobicContact CB-CD2 3.64Å; F29-F163 HydrophobicContact CB-CE2 3.49Å; F29-F163 VanDerWaalsContact CB-CE2 3.49Å; F29-F163 HydrophobicContact CB-CG 4.45Å; F29-F163 HydrophobicContact CB-CZ 4.21Å; F29-F163 HydrophobicContact CD1-CB 4.28Å; F29-F163 AromaticContact CD1-CD1 3.89Å; F29-F163 HydrophobicContact CD1-CD1 3.89Å; F29-F163 AromaticContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CE1 4.13Å; F29-F163 HydrophobicContact CD1-CE2 4.01Å; F29-F163 AromaticContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CZ 4.18Å; F29-F163 HydrophobicContact CD2-CB 3.93Å; F29-F163 AromaticContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CE2 4.38Å; F29-F163 AromaticContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CE1-CB 3.97Å; F29-F163 AromaticContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD2 4.32Å; F29-F163 AromaticContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE2-CB 3.59Å; F29-F163 HydrophobicContact CE2-CD2 4.21Å; F29-F163 HydrophobicContact CE2-CG 4.02Å; F29-F163 HydrophobicContact CG-CB 4.25Å; F29-F163 HydrophobicContact CG-CD1 4.36Å; F29-F163 AromaticContact CG-CD2 3.37Å; F29-F163 HydrophobicContact CG-CD2 3.37Å; F29-F163 AromaticContact CG-CE2 3.7Å; F29-F163 HydrophobicContact CG-CE2 3.7Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.33Å; F29-F163 HydrophobicContact CZ-CB 3.61Å; F29-F163 HydrophobicContact CZ-CD1 4.46Å; F29-F163 AromaticContact CZ-CG 3.97Å; F29-F163 HydrophobicContact CZ-CG 3.97Å; I62-F163 HydrophobicContact CD1-CD1 4.04Å; I62-F163 HydrophobicContact CD1-CE1 3.73Å; I62-F163 HydrophobicContact CD1-CZ 4.49Å; I62-F163 HydrophobicContact CG1-CE1 4.38Å; I62-F163 HydrophobicContact CG2-CE1 4.02Å; M86-F163 HydrophobicContact CE-CD1 4.31Å; M86-F163 HydrophobicContact CE-CD2 4.34Å; M86-F163 HydrophobicContact CE-CE1 4.47Å; M86-F163 HydrophobicContact CE-CE2 4.5Å; M86-F163 HydrophobicContact CE-CG 4.24Å; M86-F163 HydrophobicContact SD-CD1 3.71Å; M86-F163 HydrophobicContact SD-CD2 4.42Å; M86-F163 HydrophobicContact SD-CE1 3.44Å; M86-F163 WeakPolarHBondContact SD-CE1 3.2Å; M86-F163 HydrophobicContact SD-CE2 4.2Å; M86-F163 HydrophobicContact SD-CG 4.2Å; M86-F163 HydrophobicContact SD-CZ 3.71Å; I159-F163 HydrophobicContact CG2-CD2 4.38Å; I159-F163 HydrophobicContact CG2-CE2 4.34Å; I159-F163 WeakPolarHBondContact O-CD2 3.44Å; I159-F163 PolarHBondContact O-N 3.13Å; E160-F163 PolarHBondContact O-N 3.27Å; F163-L166 PolarHBondContact O-N 3.03Å; F163-A167 WeakPolarHBondContact O-CB 3.5Å; F163-A167 PolarHBondContact O-N 3.12Å
164L98.4Very high97.4Very high44 Ų4451.2 Ų51.223%0.2325%0.248CC..Hα-helixtrans-69.3-39.9-179.7-64.6-174.3000112V51 L53 E160 K161 A167 E168V51-L164 HydrophobicContact CB-CD2 4.04Å; V51-L164 HydrophobicContact CG1-CD2 3.93Å; V51-L164 HydrophobicContact CG2-CD2 4.24Å; L53-L164 HydrophobicContact CD2-CD2 4.29Å; E160-L164 HydrophobicContact CG-CD1 3.58Å; E160-L164 HydrophobicContact CG-CG 3.89Å; E160-L164 WeakPolarHBondContact O-CB 3.48Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.43Å; K161-L164 PolarHBondContact O-N 3.22Å; L164-A167 PolarHBondContact O-N 3.13Å; L164-E168 WeakPolarHBondContact O-CB 3.43Å; L164-E168 PolarHBondContact O-N 3.35Å
165T98.5Very high96.6Very high28 Ų2850.6 Ų50.617%0.17226%0.257CS..Hα-helixtrans-61.9-43.8174.1-64.70000111.3M118 F149 K161 E168 D169M118-T165 HydrophobicContact CE-CG2 3.92Å; F149-T165 HydrophobicContact CE2-CG2 4.13Å; F149-T165 HydrophobicContact CZ-CG2 4.32Å; K161-T165 VanDerWaalsContact O-CB 3.28Å; K161-T165 WeakPolarHBondContact O-CB 3.41Å; K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.03Å; T165-E168 PolarHBondContact O-N 3.31Å; T165-D169 PolarHBondContact O-N 3.28Å
166L98.6Very high95.2Very high2 Ų252.2 Ų52.21%0.0126%0.262CS..Hα-helixtrans-63-44.9176.2-177.961000111.5L12 M86 E116 M118 A162 F163 E168 D169 I170L12-L166 HydrophobicContact CD1-CD2 4.47Å; L12-L166 HydrophobicContact CD2-CD2 4.04Å; L12-L166 HydrophobicContact CD2-CG 4.37Å; M86-L166 HydrophobicContact CG-CD2 3.43Å; M86-L166 VanDerWaalsContact CG-CD2 3.43Å; M86-L166 HydrophobicContact SD-CD2 4.19Å; E116-L166 HydrophobicContact CB-CD1 3.55Å; M118-L166 HydrophobicContact CB-CD1 4.45Å; M118-L166 HydrophobicContact CE-CB 3.88Å; A162-L166 WeakPolarHBondContact O-CB 3.23Å; A162-L166 PolarHBondContact O-N 3.29Å; A162-L166 VanDerWaalsContact O-N 3.07Å; F163-L166 PolarHBondContact O-N 3.03Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.96Å; L166-D169 PolarHBondContact O-N 3.04Å; L166-I170 HydrophobicContact CG-CD1 4.18Å; L166-I170 VanDerWaalsContact O-CG1 3.28Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 2.91Å
167A98.3Very high93.4Very high0 Ų057.8 Ų57.80%028%0.282CS..Hα-helixtrans-63.2-36.5177.600000112.3F10 L53 L60 F163 L164 I170 L171F10-A167 HydrophobicContact CD2-CB 4.31Å; F10-A167 WeakPolarHBondContact CE2-O 3.44Å; L53-A167 HydrophobicContact CD1-CB 3.57Å; L60-A167 HydrophobicContact CD2-CB 4.07Å; F163-A167 WeakPolarHBondContact O-CB 3.5Å; F163-A167 PolarHBondContact O-N 3.12Å; L164-A167 PolarHBondContact O-N 3.13Å; A167-I170 PolarHBondContact O-N 3.34Å; A167-L171 WeakPolarHBondContact O-CB 3.24Å; A167-L171 PolarHBondContact O-N 3.17Å
168E97.9Very high91.2Very high76 Ų7662 Ų6236%0.35530%0.3SS..Hα-helixtrans-67.5-41.9175.3-176.5172.6-146.800112.5L164 T165 L166 I170 L171 R172L164-E168 WeakPolarHBondContact O-CB 3.43Å; L164-E168 PolarHBondContact O-N 3.35Å; T165-E168 PolarHBondContact O-N 3.31Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.96Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.41Å; E168-L171 PolarHBondContact O-N 3.07Å; E168-R172 PolarHBondContact O-N 3.38Å
169D97.5Very high88.9Confident6 Ų664.7 Ų64.73%0.03232%0.321CS..Hα-helixtrans-62.2-41.1176.1-75.2-24000110.6E116 R147 T165 L166 R172 K173E116-D169 HydrophobicContact CG-CB 4.14Å; R147-D169 IonicContact CZ-OD2 3.38Å; R147-D169 IonicContact NE-OD2 3.7Å; R147-D169 PolarHBondContact NE-OD2 2.95Å; R147-D169 IonicContact NH2-OD1 3.42Å; R147-D169 PolarHBondContact NH2-OD1 3.42Å; R147-D169 IonicContact NH2-OD2 2.68Å; T165-D169 PolarHBondContact O-N 3.28Å; L166-D169 PolarHBondContact O-N 3.04Å; D169-R172 PolarHBondContact O-N 3.06Å; D169-R172 IonicContact OD1-CZ 3.78Å; D169-R172 VanDerWaalsContact OD1-CZ 3.29Å; D169-R172 IonicContact OD1-NH1 2.76Å; D169-R172 PolarHBondContact OD1-NH1 3.35Å; D169-R172 IonicContact OD1-NH2 3.68Å; D169-R172 PolarHBondContact OD1-NH2 3.07Å; D169-K173 PolarHBondContact O-N 2.9Å
170I97.8Very high86.4Confident5 Ų570.5 Ų70.53%0.02635%0.352CS..Hα-helixtrans-63.8-44.1172.9-64.2166.2000111.7F10 L12 M83 E116 L166 A167 E168 R172 K173 T174F10-I170 HydrophobicContact CD1-CG2 3.9Å; F10-I170 HydrophobicContact CD2-CB 4.14Å; F10-I170 HydrophobicContact CD2-CD1 4.4Å; F10-I170 HydrophobicContact CD2-CG2 3.81Å; F10-I170 HydrophobicContact CE1-CG2 3.84Å; F10-I170 HydrophobicContact CE2-CB 4Å; F10-I170 HydrophobicContact CE2-CG2 3.74Å; F10-I170 HydrophobicContact CG-CG2 3.91Å; F10-I170 HydrophobicContact CZ-CB 4.4Å; F10-I170 HydrophobicContact CZ-CG2 3.77Å; L12-I170 HydrophobicContact CD2-CD1 3.42Å; L12-I170 VanDerWaalsContact CD2-CD1 3.42Å; M83-I170 HydrophobicContact CB-CD1 4.12Å; M83-I170 HydrophobicContact CB-CG1 4.48Å; M83-I170 HydrophobicContact CB-CG2 3.96Å; M83-I170 HydrophobicContact CE-CG2 3.61Å; E116-I170 HydrophobicContact CB-CG1 3.79Å; E116-I170 HydrophobicContact CG-CG1 3.69Å; L166-I170 HydrophobicContact CG-CD1 4.18Å; L166-I170 VanDerWaalsContact O-CG1 3.28Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 2.91Å; A167-I170 PolarHBondContact O-N 3.34Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.41Å; I170-R172 VanDerWaalsContact C-N 3.26Å; I170-R172 PolarHBondContact O-N 2.68Å; I170-K173 PolarHBondContact O-N 2.98Å; I170-K173 VanDerWaalsContact O-N 3.16Å; I170-T174 PolarHBondContact O-N 3.17Å; I170-T174 PolarHBondContact O-OG1 2.96Å
171L96.7Very high83.7Confident8 Ų870 Ų704%0.04236%0.361CS..Hα-helixtrans-59.7-39.7179.9177.662.4000111.2L8 F10 L53 Q54 K56 I58 A167 E168 K173 T174L8-L171 HydrophobicContact CD1-CD1 3.32Å; F10-L171 HydrophobicContact CE2-CB 4.14Å; F10-L171 HydrophobicContact CZ-CB 4.05Å; F10-L171 HydrophobicContact CZ-CD1 4.21Å; L53-L171 HydrophobicContact CB-CD2 4.22Å; Q54-L171 HydrophobicContact CB-CD2 4.06Å; Q54-L171 HydrophobicContact CG-CD2 3.97Å; K56-L171 HydrophobicContact CD-CD1 4.15Å; I58-L171 HydrophobicContact CD1-CD1 4.19Å; I58-L171 HydrophobicContact CD1-CD2 4.08Å; A167-L171 WeakPolarHBondContact O-CB 3.24Å; A167-L171 PolarHBondContact O-N 3.17Å; E168-L171 PolarHBondContact O-N 3.07Å; L171-K173 VanDerWaalsContact C-N 3.26Å; L171-K173 PolarHBondContact O-N 2.94Å; L171-T174 PolarHBondContact O-N 2.85Å; L171-T174 VanDerWaalsContact O-N 3.09Å
172R95.4Very high81.1Confident152 Ų15271.7 Ų71.757%0.57437%0.37SS*.Hα-helixtrans-62.9-31.5178.6-160.9-177.4-53.9115.38.7112.9E168 D169 I170E168-R172 PolarHBondContact O-N 3.38Å; D169-R172 PolarHBondContact O-N 3.06Å; D169-R172 IonicContact OD1-CZ 3.78Å; D169-R172 VanDerWaalsContact OD1-CZ 3.29Å; D169-R172 IonicContact OD1-NH1 2.76Å; D169-R172 PolarHBondContact OD1-NH1 3.35Å; D169-R172 IonicContact OD1-NH2 3.68Å; D169-R172 PolarHBondContact OD1-NH2 3.07Å; I170-R172 VanDerWaalsContact C-N 3.26Å; I170-R172 PolarHBondContact O-N 2.68Å
173K93.1Very high78.3Confident110 Ų11078.9 Ų78.948%0.47841%0.409SS..Hα-helixtrans-84.4-18.7174.7-73.3-178.2169.1165.90113.6D114 E116 D169 I170 L171 P175D114-K173 PolarHBondContact O-NZ 3.12Å; E116-K173 VanDerWaalsContact CD-NZ 3.26Å; E116-K173 HydrophobicContact CG-CD 4.32Å; E116-K173 WeakPolarHBondContact OE1-CD 3.22Å; E116-K173 WeakPolarHBondContact OE1-CE 3.13Å; E116-K173 IonicContact OE1-NZ 2.63Å; E116-K173 PolarHBondContact OE1-NZ 3Å; E116-K173 IonicContact OE2-NZ 2.93Å; D169-K173 PolarHBondContact O-N 2.9Å; I170-K173 PolarHBondContact O-N 2.98Å; I170-K173 VanDerWaalsContact O-N 3.16Å; L171-K173 VanDerWaalsContact C-N 3.26Å; L171-K173 PolarHBondContact O-N 2.94Å; K173-P175 VanDerWaalsContact O-CD 3.31Å; K173-P175 WeakPolarHBondContact O-CD 3.47Å
174T89.8Confident75.6Confident30 Ų3084 Ų8418%0.18444%0.44CS..SBendtrans-76.2118.1-176.2-590000109.6L8 I170 L171 V176L8-T174 HydrophobicContact CD2-CG2 4.21Å; I170-T174 PolarHBondContact O-N 3.17Å; I170-T174 PolarHBondContact O-OG1 2.96Å; L171-T174 PolarHBondContact O-N 2.85Å; L171-T174 VanDerWaalsContact O-N 3.09Å; T174-V176 PolarHBondContact O-N 3Å; T174-V176 VanDerWaalsContact O-N 3.1Å
175P81.5Confident72.9Confident113 Ų11388.8 Ų88.873%0.73447%0.465SS*.  trans-59.4120.3175.7-19.731.4000109.4K173 K177K173-P175 VanDerWaalsContact O-CD 3.31Å; K173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-K177 PolarHBondContact O-N 3.15Å
176V67.4Low70.2Confident89 Ų8994.7 Ų94.754%0.53949%0.494SS..  trans-71.3103.7170.9-177.10000106.4K56 T174 E178K56-V176 VanDerWaalsContact NZ-CG1 3.35Å; T174-V176 PolarHBondContact O-N 3Å; T174-V176 VanDerWaalsContact O-N 3.1Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 2.9Å
177K61Low67.5Low197 Ų19799 Ų9986%0.85753%0.525SS*.  trans-62.9106.9154.4-71.6-171.1177.7-172.80104.9P175P175-K177 PolarHBondContact O-N 3.15Å
178E51.4Low64.7Low153 Ų153104.6 Ų104.672%0.71556%0.564SS**  trans-52.1133.2165.2-67.4-156.7163.100107V176 N180V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 2.9Å; E178-N180 PolarHBondContact O-N 3.37Å
179P51.4Low61.7Low117 Ų117104.8 Ų104.876%0.7659%0.587SS**  trans-57.1117.4169.523.8-29.2000106.1S181P179-S181 PolarHBondContact O-N 3.05Å
180N45.4Very low58.6Low124 Ų124108.7 Ų108.766%0.66363%0.628SS**  trans-38.7109.4177.2-98.720.4000108.3E178 E182E178-N180 PolarHBondContact O-N 3.37Å; N180-E182 HydrophobicContact CB-CB 4.42Å; N180-E182 HydrophobicContact CB-CG 4.29Å; N180-E182 VanDerWaalsContact ND2-CD 3.29Å; N180-E182 PolarHBondContact ND2-OE2 2.93Å; N180-E182 PolarHBondContact O-N 2.86Å
181S41.9Very low55.6Low100 Ų100112.2 Ų112.270%0.69967%0.665SS**  trans-73.952164.148.30000108.5P179 N183P179-S181 PolarHBondContact O-N 3.05Å; S181-N183 PolarHBondContact O-N 3.27Å
182E42.8Very low52.6Low152 Ų152118.6 Ų118.671%0.7170%0.704SS**  trans-88.463.3164-72.5177.5160.700107.6N180N180-E182 HydrophobicContact CB-CB 4.42Å; N180-E182 HydrophobicContact CB-CG 4.29Å; N180-E182 VanDerWaalsContact ND2-CD 3.29Å; N180-E182 PolarHBondContact ND2-OE2 2.93Å; N180-E182 PolarHBondContact O-N 2.86Å
183N39.9Very low49.9Very low151 Ų151118 Ų11881%0.80772%0.718SS**  trans-114.271.2152-93.1-13.1000106.1S181S181-N183 PolarHBondContact O-N 3.27Å
184V43.7Very low47.1Very low106 Ų106116 Ų11664%0.64273%0.728SS**  trans-112.269.8160.6-170.70000106.1I186V184-I186 HydrophobicContact CG1-CD1 3.44Å; V184-I186 VanDerWaalsContact CG1-CD1 3.44Å; V184-I186 HydrophobicContact CG1-CG1 3.57Å; V184-I186 PolarHBondContact O-N 2.96Å
185D41.2Very low44.6Very low145 Ų145126.8 Ų126.878%0.77577%0.766SS**  trans-71.883.6158.9-87.7-32.6000107.2S187D185-S187 PolarHBondContact O-N 3.37Å; D185-S187 VanDerWaalsContact O-N 3.09Å
186I41.1Very low42.3Very low152 Ų152130.4 Ų130.478%0.77977%0.77SS**  trans-79.674.9158.2-67.3161.4000106V184 S188V184-I186 HydrophobicContact CG1-CD1 3.44Å; V184-I186 VanDerWaalsContact CG1-CD1 3.44Å; V184-I186 HydrophobicContact CG1-CG1 3.57Å; V184-I186 PolarHBondContact O-N 2.96Å; I186-S188 PolarHBondContact O-N 2.73Å
187S42.5Very low40.8Very low92 Ų92131.3 Ų131.364%0.64378%0.78SS**  trans-80.894.2163.561.90000108.8D185D185-S187 PolarHBondContact O-N 3.37Å; D185-S187 VanDerWaalsContact O-N 3.09Å
188S39.6Very low39.9Very low118 Ų118132 Ų13283%0.82578%0.783SS**  61.888.3129.3-38.20000117I186I186-S188 PolarHBondContact O-N 2.73Å
189G34.5Very low38.7Very low81 Ų81130.6 Ų130.684%0.83579%0.789SS**  trans-150.670.7171.800000114
190G32.5Very low38.6Very low88 Ų88135 Ų13591%0.90782%0.82SS**  trans79.5121.5148.900000118.2
191G35.1Very low38.2Very low78 Ų78135.5 Ų135.580%0.80483%0.828SS**  trans163.371.516600000114.2
192V33.5Very low38Very low142 Ų142137.4 Ų137.486%0.86184%0.835SS**  trans-70.9126.2175.5177.10000110.5
193T38.4Very low37.8Very low141 Ų141136.6 Ų136.687%0.86584%0.841SS**  trans-179.6126.5137.9440000105
194G34.1Very low37.6Very low66 Ų66135.7 Ų135.768%0.6884%0.843SS**  cis121.39431.700000107.2
195W37.4Very low37.2Very low258 Ų258137.6 Ų137.698%0.97786%0.856SS**  trans-162.7152144-118-40.3000113
196K34.6Very low37Very low188 Ų188137.1 Ų137.182%0.81786%0.861SS**  trans-99.7161.7-153.1-73.2179.5167.6-179.80113
197S34.7Very low36.7Very low109 Ų109136 Ų13676%0.76287%0.867SS**  trans69.7118.6138.2630000120.1
198K42.3Very low36.3Very low210 Ų210139.4 Ų139.491%0.91388%0.884SS**  -154.5116.8113.5-110172.7-179.7177.90110.2
199C27.5Very low36Very low125 Ų125141.2 Ų141.285%0.84589%0.889SS**  trans-87.2139160.8-640000108.1
200C47.4Very low36.1Very low208 Ų208146.6 Ų146.6100%1.40589%0.894SS**  trans-145.90142-80.30000106

Retrieved 200 of 200 residues in 42.3 ms (Link to these results)