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E3 SUMO-protein ligase PIAS1

Functions as an E3-type small ubiquitin-like modifier (SUMO) ligase, stabilizing the interaction between UBE2I and the substrate, and as a SUMO-tethering factor1,2,3,4,5,6. Catalyzes sumoylation of various proteins, such as CEBPB, MRE11, MTA1, PTK2, PML and ZNF767,8,9,10,11,12. Plays a crucial role as a transcriptional coregulation in various cellular pathways, including the STAT pathway, the p53 pathway and the steroid hormone signaling pathway13,14. In vitro, binds A/T-rich DNA15. The effects of this transcriptional coregulation, transactivation or silencing, may vary depending upon the biological context16,17,18,19,20. Mediates sumoylation of MRE11, stabilizing MRE11 on chromatin during end resection21. Sumoylates PML (at 'Lys-65' and 'Lys-160') and PML-RAR and promotes their ubiquitin-mediated degradation (By similarity). PIAS1-mediated sumoylation of PML promotes its interaction with CSNK2A1/CK2 which in turn promotes PML phosphorylation and degradation (By similarity). Enhances the sumoylation of MTA1 and may participate in its paralog-selective sumoylation22. Plays a dynamic role in adipogenesis by promoting the SUMOylation and degradation of CEBPB (By similarity). Mediates the nuclear mobility and localization of MSX1 to the nuclear periphery, whereby MSX1 is brought into the proximity of target myoblast differentiation factor genes (By similarity). Also required for the binding of MSX1 to the core enhancer region in target gene promoter regions, independent of its sumoylation activity (By similarity). Capable of binding to the core enhancer region TAAT box in the MYOD1 gene promoter (By similarity). (Microbial infection) Restricts Epstein-Barr virus (EBV) lytic replication by acting as an inhibitor for transcription factors involved in lytic gene expression23. The virus can use apoptotic caspases to antagonize PIAS1-mediated restriction and express its lytic genes24.

AlphaFold DB , UniProt , Accession O75925, Species HUMAN (Homo sapiens, Human), Gene PIAS1, Length 651 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
1M46.4Very low80.2Confident230 Ų23081.8 Ų81.8100%1.13345%0.454SS*.  0-28.10-68.8-155-161.400114D3 S4M1-D3 PolarHBondContact O-N 3.36Å; M1-S4 PolarHBondContact O-N 3.2Å
2A42.7Very low81.3Confident77 Ų7782.3 Ų82.364%0.63645%0.452SS*.Hα-helixtrans-53.4-48.9-173.700000115S4 A5 E6A2-S4 PolarHBondContact O-N 2.82Å; A2-A5 PolarHBondContact O-N 2.79Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A2-E6 PolarHBondContact O-N 3.08Å
3D71.2Confident82.3Confident89 Ų8977.8 Ų77.848%0.47643%0.431SS..Hα-helixtrans-54.9-31.8-174-62.237.6000114.5M1 E6 L7M1-D3 PolarHBondContact O-N 3.36Å; D3-E6 PolarHBondContact O-N 3.02Å; D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.29Å; D3-L7 WeakPolarHBondContact O-CG 3.4Å; D3-L7 PolarHBondContact O-N 3.33Å
4S81.2Confident83.2Confident76 Ų7672.3 Ų72.353%0.53140%0.4SS..Hα-helixtrans-68.6-36.1-178.5-173.30000112.3M1 A2 K8M1-S4 PolarHBondContact O-N 3.2Å; A2-S4 PolarHBondContact O-N 2.82Å; S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 2.85Å; S4-K8 VanDerWaalsContact O-N 3.1Å
5A84.8Confident83.9Confident69 Ų6976.2 Ų76.257%0.5741%0.406SS*.Hα-helixtrans-71.2-40.9176.600000111.5A2 K8 Q9A2-A5 PolarHBondContact O-N 2.79Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A5-K8 PolarHBondContact O-N 2.76Å; A5-Q9 PolarHBondContact O-N 2.83Å; A5-Q9 VanDerWaalsContact O-N 3.09Å
6E89.5Confident84.6Confident98 Ų9875.1 Ų75.146%0.45840%0.403SS..Hα-helixtrans-64.1-50.3177.1-164.4-162.8-178.800111.3A2 D3 K8 Q9 M10A2-E6 PolarHBondContact O-N 3.08Å; D3-E6 PolarHBondContact O-N 3.02Å; E6-K8 VanDerWaalsContact C-N 3.28Å; E6-K8 PolarHBondContact O-N 3Å; E6-Q9 WeakPolarHBondContact O-CB 3.47Å; E6-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 VanDerWaalsContact O-N 3.08Å; E6-M10 HydrophobicContact CG-CE 3.98Å; E6-M10 WeakPolarHBondContact O-CG 3.39Å; E6-M10 PolarHBondContact O-N 3.18Å; E6-M10 WeakPolarHBondContact OE1-CE 3.41Å
7L91.7Very high85.1Confident5 Ų574.6 Ų74.63%0.02641%0.407CS..Hα-helixtrans-59.2-38.4177-73.9170.4000112.2D3 M10 V11 L45 Q54 I57 K58D3-L7 WeakPolarHBondContact O-CB 3.2Å; D3-L7 VanDerWaalsContact O-CG 3.29Å; D3-L7 WeakPolarHBondContact O-CG 3.4Å; D3-L7 PolarHBondContact O-N 3.33Å; L7-M10 HydrophobicContact CD2-SD 4.45Å; L7-M10 PolarHBondContact O-N 3.06Å; L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 2.78Å; L7-L45 HydrophobicContact CB-CD1 4.16Å; L7-L45 HydrophobicContact CB-CD2 4.05Å; L7-L45 HydrophobicContact CD1-CD2 4.29Å; L7-Q54 HydrophobicContact CD1-CB 4.12Å; L7-Q54 HydrophobicContact CD1-CG 3.8Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; L7-I57 HydrophobicContact CD2-CB 4.03Å; L7-I57 HydrophobicContact CD2-CD1 4.36Å; L7-I57 HydrophobicContact CD2-CG2 3.75Å; L7-K58 HydrophobicContact CD2-CG 4.23Å
8K92.3Very high85.6Confident115 Ų11571.9 Ų71.950%0.539%0.391SS..Hα-helixtrans-60.4-45.6174.2179.2178-180-167.10111.3S4 A5 E6 V11 M12 L42 L45S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 2.85Å; S4-K8 VanDerWaalsContact O-N 3.1Å; A5-K8 PolarHBondContact O-N 2.76Å; E6-K8 VanDerWaalsContact C-N 3.28Å; E6-K8 PolarHBondContact O-N 3Å; K8-V11 PolarHBondContact O-N 3.49Å; K8-M12 HydrophobicContact CG-SD 4.02Å; K8-M12 WeakPolarHBondContact O-CB 3.48Å; K8-M12 VanDerWaalsContact O-CG 3.29Å; K8-M12 WeakPolarHBondContact O-CG 3.38Å; K8-M12 PolarHBondContact O-N 3.33Å; K8-L42 HydrophobicContact CG-CD2 3.83Å; K8-L45 HydrophobicContact CB-CD1 4.31Å
9Q92.5Very high86.2Confident124 Ų12468.1 Ų68.158%0.57937%0.37SS*.Hα-helixtrans-64.8-41.2177.2-173.865.6-0.800111.9A5 E6 M12 S13A5-Q9 PolarHBondContact O-N 2.83Å; A5-Q9 VanDerWaalsContact O-N 3.09Å; E6-Q9 WeakPolarHBondContact O-CB 3.47Å; E6-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 VanDerWaalsContact O-N 3.08Å; Q9-M12 PolarHBondContact O-N 2.9Å; Q9-S13 PolarHBondContact O-N 3.13Å; Q9-S13 VanDerWaalsContact O-N 3.16Å
10M94.6Very high86.6Confident17 Ų1768.1 Ų68.18%0.08437%0.367CS..Hα-helixtrans-58.3-50.3174.3-69.2-176.4177.200111.6E6 L7 M12 S13 I57 K58 Y61E6-M10 HydrophobicContact CG-CE 3.98Å; E6-M10 WeakPolarHBondContact O-CG 3.39Å; E6-M10 PolarHBondContact O-N 3.18Å; E6-M10 WeakPolarHBondContact OE1-CE 3.41Å; L7-M10 HydrophobicContact CD2-SD 4.45Å; L7-M10 PolarHBondContact O-N 3.06Å; M10-M12 PolarHBondContact O-N 2.94Å; M10-S13 WeakPolarHBondContact O-CB 3.3Å; M10-S13 PolarHBondContact O-N 3.35Å; M10-S13 VanDerWaalsContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 2.83Å; M10-I57 HydrophobicContact CB-CG2 3.69Å; M10-I57 HydrophobicContact SD-CG2 4.22Å; M10-K58 HydrophobicContact CE-CG 4.26Å; M10-K58 HydrophobicContact SD-CG 3.84Å; M10-Y61 HydrophobicContact CB-CD2 3.72Å; M10-Y61 HydrophobicContact CB-CE2 4.33Å; M10-Y61 HydrophobicContact CB-CG 4Å; M10-Y61 HydrophobicContact CE-CD1 4.06Å; M10-Y61 HydrophobicContact CE-CE1 4.46Å; M10-Y61 HydrophobicContact CE-CG 4.48Å; M10-Y61 HydrophobicContact CG-CD1 4.04Å; M10-Y61 HydrophobicContact CG-CD2 3.69Å; M10-Y61 HydrophobicContact CG-CE1 4.42Å; M10-Y61 HydrophobicContact CG-CE2 4.09Å; M10-Y61 HydrophobicContact CG-CG 3.65Å; M10-Y61 HydrophobicContact SD-CD1 4.29Å; M10-Y61 HydrophobicContact SD-CG 4.12Å
11V95.1Very high87Confident0 Ų068.4 Ų68.40%037%0.371CS..Hα-helixtrans-62-41.7178.3168.30000112L7 K8 S13 L14 L19 L22 L38 A41 L42 L45 I57L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 2.78Å; K8-V11 PolarHBondContact O-N 3.49Å; V11-S13 PolarHBondContact O-N 2.9Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.14Å; V11-L19 HydrophobicContact CG1-CD2 4.18Å; V11-L22 HydrophobicContact CG2-CD2 4.15Å; V11-L38 HydrophobicContact CG1-CD1 3.79Å; V11-A41 HydrophobicContact CG1-CB 3.7Å; V11-L42 HydrophobicContact CB-CD2 4.35Å; V11-L42 HydrophobicContact CG1-CD2 3.92Å; V11-L42 HydrophobicContact CG1-CG 4.33Å; V11-L45 HydrophobicContact CB-CD1 4.43Å; V11-L45 HydrophobicContact CG2-CD1 4.05Å; V11-I57 HydrophobicContact CG2-CB 4.48Å; V11-I57 HydrophobicContact CG2-CD1 3.66Å; V11-I57 HydrophobicContact CG2-CG1 3.85Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å
12M94.1Very high89.3Confident87 Ų8757.4 Ų57.443%0.42932%0.317SS..Hα-helixtrans-61.9-26.1176.3-75.9175.959.900113.4K8 Q9 M10 L38 L42K8-M12 HydrophobicContact CG-SD 4.02Å; K8-M12 WeakPolarHBondContact O-CB 3.48Å; K8-M12 VanDerWaalsContact O-CG 3.29Å; K8-M12 WeakPolarHBondContact O-CG 3.38Å; K8-M12 PolarHBondContact O-N 3.33Å; Q9-M12 PolarHBondContact O-N 2.9Å; M10-M12 PolarHBondContact O-N 2.94Å; M12-L38 HydrophobicContact CG-CD1 4.22Å; M12-L42 HydrophobicContact CG-CD1 4.46Å; M12-L42 HydrophobicContact CG-CD2 4.46Å
13S93.8Very high91.8Very high25 Ų2553.8 Ų53.818%0.17529%0.287CS..Hα-helixtrans-71.7-32.5176.187.30000112.9Q9 M10 V11 Y61 R64Q9-S13 PolarHBondContact O-N 3.13Å; Q9-S13 VanDerWaalsContact O-N 3.16Å; M10-S13 WeakPolarHBondContact O-CB 3.3Å; M10-S13 PolarHBondContact O-N 3.35Å; M10-S13 VanDerWaalsContact O-N 3.15Å; M10-S13 PolarHBondContact O-OG 2.83Å; V11-S13 PolarHBondContact O-N 2.9Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.28Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.28Å; S13-R64 PolarHBondContact O-NH1 2.61Å; S13-R64 PolarHBondContact O-NH2 3.19Å
14L94.3Very high92.8Very high0 Ų051.5 Ų51.50%029%0.285CS..  trans-61.2150.2-163.6-62.4-178.9000114.3V11 E18 L19 L22 K34 L60V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.14Å; L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.03Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.17Å; L14-E18 HydrophobicContact CG-CB 4.44Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.93Å; L14-L19 HydrophobicContact CD1-CD2 4.22Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; L14-K34 VanDerWaalsContact O-CE 3.26Å; L14-K34 WeakPolarHBondContact O-CE 3.41Å; L14-L60 HydrophobicContact CD1-CB 4.45Å; L14-L60 HydrophobicContact CD1-CD1 4.33Å; L14-L60 HydrophobicContact CD2-CB 4.03Å
15R94.6Very high93.3Very high131 Ų13151.8 Ų51.849%0.49428%0.275SS..  trans-77.1167.1170.8-59.9-173.6-178.897.4-11.4111.2S17 E18 L19R15-S17 PolarHBondContact O-N 2.9Å; R15-E18 HydrophobicContact CB-CG 4.31Å; R15-E18 WeakPolarHBondContact CD-OE1 3.49Å; R15-E18 WeakPolarHBondContact CG-OE1 3.48Å; R15-E18 IonicContact CZ-OE1 3.45Å; R15-E18 PolarHBondContact N-OE2 2.87Å; R15-E18 IonicContact NE-OE1 3.41Å; R15-E18 IonicContact NH1-OE1 2.72Å; R15-E18 PolarHBondContact NH1-OE1 2.74Å; R15-E18 PolarHBondContact O-N 2.84Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 2.81Å
16V94.2Very high93.6Very high59 Ų5949.9 Ų49.936%0.35826%0.259SS..Hα-helixtrans-53.8-52.3176.4171.80000111.5E18 L19 Q20 K34 L37V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.05Å; V16-Q20 HydrophobicContact CG1-CG 4.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.22Å; V16-K34 HydrophobicContact CG2-CB 3.74Å; V16-K34 HydrophobicContact CG2-CG 4.02Å; V16-L37 HydrophobicContact CG1-CD1 3.81Å
17S93.5Very high93.7Very high66 Ų6648.6 Ų48.646%0.46227%0.272SS..Hα-helixtrans-58.5-40.9178.848.20000113.3R15 Q20 V21R15-S17 PolarHBondContact O-N 2.9Å; S17-Q20 WeakPolarHBondContact O-CB 3.3Å; S17-Q20 PolarHBondContact O-N 3.01Å; S17-V21 WeakPolarHBondContact O-CG2 3.43Å; S17-V21 PolarHBondContact O-N 3.08Å
18E94.8Very high93.6Very high26 Ų2656 Ų5612%0.12130%0.3CS..Hα-helixtrans-68.1-40.9178.5-64.6151.9-158.500111.3L14 R15 V16 Q20 V21 L22 L60 R64L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.03Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.17Å; L14-E18 HydrophobicContact CG-CB 4.44Å; R15-E18 HydrophobicContact CB-CG 4.31Å; R15-E18 WeakPolarHBondContact CD-OE1 3.49Å; R15-E18 WeakPolarHBondContact CG-OE1 3.48Å; R15-E18 IonicContact CZ-OE1 3.45Å; R15-E18 PolarHBondContact N-OE2 2.87Å; R15-E18 IonicContact NE-OE1 3.41Å; R15-E18 IonicContact NH1-OE1 2.72Å; R15-E18 PolarHBondContact NH1-OE1 2.74Å; R15-E18 PolarHBondContact O-N 2.84Å; V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 2.83Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-Q20 PolarHBondContact O-N 3.32Å; E18-V21 PolarHBondContact O-N 3.01Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 3.15Å; E18-L60 WeakPolarHBondContact O-CD1 3.24Å; E18-R64 VanDerWaalsContact OE2-CD 3.23Å; E18-R64 WeakPolarHBondContact OE2-CD 3.18Å; E18-R64 IonicContact OE2-NE 2.68Å
19L96.2Very high93.5Very high0 Ų055.1 Ų55.10%030%0.301CS..Hα-helixtrans-64.2-36.4172.3-69.8166.6000112.1V11 L14 R15 V16 L22 L23 K34 L37 L38 A41V11-L19 HydrophobicContact CG1-CD2 4.18Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.93Å; L14-L19 HydrophobicContact CD1-CD2 4.22Å; R15-L19 WeakPolarHBondContact O-CG 3.25Å; R15-L19 PolarHBondContact O-N 2.81Å; V16-L19 PolarHBondContact O-N 3.05Å; L19-L22 PolarHBondContact O-N 3.17Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.04Å; L19-K34 HydrophobicContact CD1-CG 4.34Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.13Å; L19-L38 HydrophobicContact CD1-CB 4.29Å; L19-L38 HydrophobicContact CD2-CD1 4.44Å; L19-A41 HydrophobicContact CD2-CB 3.86Å
20Q95.1Very high93.5Very high67 Ų6754.5 Ų54.531%0.31330%0.296SS..Hα-helixtrans-66.7-40.5175.3-69.9-179.9-44.500112.2V16 S17 E18 G24 K30 L37V16-Q20 HydrophobicContact CG1-CG 4.44Å; V16-Q20 VanDerWaalsContact O-CG 3.26Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.22Å; S17-Q20 WeakPolarHBondContact O-CB 3.3Å; S17-Q20 PolarHBondContact O-N 3.01Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-Q20 PolarHBondContact O-N 3.32Å; Q20-G24 PolarHBondContact O-N 2.98Å; Q20-K30 HydrophobicContact CB-CB 4.35Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.48Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; Q20-L37 HydrophobicContact CG-CD1 3.89Å; Q20-L37 HydrophobicContact CG-CD2 4.44Å
21V94.1Very high93.3Very high75 Ų7559 Ų5946%0.45532%0.317SS..Hα-helixtrans-62.9-45.8172.9170.10000110.6S17 E18 G24 Y25 L60S17-V21 WeakPolarHBondContact O-CG2 3.43Å; S17-V21 PolarHBondContact O-N 3.08Å; E18-V21 PolarHBondContact O-N 3.01Å; V21-G24 PolarHBondContact O-N 3.23Å; V21-Y25 VanDerWaalsContact O-CB 3.31Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 2.99Å; V21-L60 HydrophobicContact CG1-CD2 4.15Å
22L94.7Very high93.1Very high0 Ų060.7 Ų60.70%033%0.334CS..Hα-helixtrans-60.7-47.2177.8179.761.9000112.5V11 L14 E18 L19 Y25 A26 A41 V53 K56 I57 L60V11-L22 HydrophobicContact CG2-CD2 4.15Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 3.15Å; L19-L22 PolarHBondContact O-N 3.17Å; L22-Y25 PolarHBondContact O-N 2.73Å; L22-A26 WeakPolarHBondContact O-CB 3.13Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L22-A41 HydrophobicContact CD2-CB 4.12Å; L22-V53 HydrophobicContact CD1-CG1 3.67Å; L22-K56 HydrophobicContact CD1-CB 4.42Å; L22-I57 HydrophobicContact CD1-CD1 4.42Å; L22-I57 HydrophobicContact CD1-CG1 3.62Å; L22-I57 HydrophobicContact CD2-CD1 4.36Å; L22-I57 HydrophobicContact CD2-CG1 3.8Å; L22-I57 HydrophobicContact CG-CG1 4.38Å; L22-L60 HydrophobicContact CB-CD1 3.85Å; L22-L60 HydrophobicContact CD1-CD1 4.49Å
23L94.8Very high93.1Very high0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-68.2-39.8179.4-71.8167.5000111.8L19 A26 G27 R28 L37 K40L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.04Å; L23-A26 CarbonylContact O-C 3.59Å; L23-A26 PolarHBondContact O-N 2.98Å; L23-G27 PolarHBondContact O-N 2.98Å; L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.85Å; L23-R28 HydrophobicContact CD2-CG 4.43Å; L23-R28 PolarHBondContact O-N 2.91Å; L23-L37 HydrophobicContact CD1-CB 4.17Å; L23-L37 HydrophobicContact CD1-CD2 3.63Å; L23-K40 HydrophobicContact CD1-CB 4.04Å; L23-K40 HydrophobicContact CD1-CD 4.37Å; L23-K40 HydrophobicContact CD2-CB 3.81Å
24G92.7Very high93.1Very high41 Ų4169.7 Ų69.742%0.42336%0.362SS..Hα-helixtrans-62.1-43.817400000112.6Q20 V21 A26 G27Q20-G24 PolarHBondContact O-N 2.98Å; V21-G24 PolarHBondContact O-N 3.23Å; G24-A26 PolarHBondContact O-N 2.92Å; G24-G27 PolarHBondContact O-N 3.25Å; G24-G27 VanDerWaalsContact O-N 3.09Å
25Y92.2Very high93.2Very high82 Ų8276.3 Ų76.332%0.32239%0.392SS..Hα-helixtrans-60.2-33.9174.2-177.7-95.7000112.4V21 L22 G27 A52 V53 K56 S208V21-Y25 VanDerWaalsContact O-CB 3.31Å; V21-Y25 WeakPolarHBondContact O-CB 3.49Å; V21-Y25 PolarHBondContact O-N 2.99Å; L22-Y25 PolarHBondContact O-N 2.73Å; Y25-G27 VanDerWaalsContact C-N 3.35Å; Y25-A52 HydrophobicContact CE1-CB 4.38Å; Y25-V53 HydrophobicContact CD1-CG2 4.06Å; Y25-V53 HydrophobicContact CE1-CG2 4.04Å; Y25-K56 HydrophobicContact CD1-CB 3.89Å; Y25-K56 HydrophobicContact CD1-CG 3.95Å; Y25-K56 HydrophobicContact CD2-CD 4.42Å; Y25-K56 HydrophobicContact CD2-CG 4.31Å; Y25-K56 HydrophobicContact CE1-CB 3.87Å; Y25-K56 HydrophobicContact CE1-CG 4.28Å; Y25-K56 HydrophobicContact CE2-CD 4.48Å; Y25-K56 HydrophobicContact CG-CB 4.42Å; Y25-K56 HydrophobicContact CG-CG 3.98Å; Y25-S208 PolarHBondContact OH-O 2.94Å
26A90.9Very high93.2Very high29 Ų2973.9 Ų73.924%0.2439%0.387CS..THydrogen-bonded Turntrans-87.49176.200000115L22 L23 G24 R28 L44 V53L22-A26 WeakPolarHBondContact O-CB 3.13Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L23-A26 CarbonylContact O-C 3.59Å; L23-A26 PolarHBondContact O-N 2.98Å; G24-A26 PolarHBondContact O-N 2.92Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 HydrophobicContact CB-CG 4.37Å; A26-R28 PolarHBondContact O-N 2.9Å; A26-L44 HydrophobicContact CB-CD1 3.28Å; A26-V53 HydrophobicContact CB-CG2 4.22Å
27G90.5Very high93.3Very high72 Ų7271 Ų7174%0.74237%0.37SS*.THydrogen-bonded Turntrans65.922.2-178.900000114.8L23 G24 Y25L23-G27 PolarHBondContact O-N 2.98Å; G24-G27 PolarHBondContact O-N 3.25Å; G24-G27 VanDerWaalsContact O-N 3.09Å; Y25-G27 VanDerWaalsContact C-N 3.35Å
28R89.4Confident93.4Very high159 Ų15969.3 Ų69.360%0.636%0.355SS*.  trans-103.4158.7-179.6-62.4-63.4-171.9157.81.6111.7L23 A26 K30L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.85Å; L23-R28 HydrophobicContact CD2-CG 4.43Å; L23-R28 PolarHBondContact O-N 2.91Å; A26-R28 VanDerWaalsContact C-N 3.26Å; A26-R28 HydrophobicContact CB-CG 4.37Å; A26-R28 PolarHBondContact O-N 2.9Å; R28-K30 PolarHBondContact O-N 2.76Å
29N90.4Very high93.4Very high98 Ų9871.3 Ų71.352%0.52437%0.369SS..  trans-62.6118.3179.8-176.9-9.8000112H31N29-H31 PolarHBondContact O-N 2.68Å; N29-H31 PolarHBondContact OD1-N 2.58Å; N29-H31 PolarHBondContact OD1-ND1 3.27Å
30K92.9Very high93.3Very high110 Ų11074.8 Ų74.848%0.47838%0.384SS..  trans-82.75.2-177.967.6-177.2179.5-177.80115.7Q20 R28Q20-K30 HydrophobicContact CB-CB 4.35Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.48Å; Q20-K30 PolarHBondContact NE2-O 2.81Å; R28-K30 PolarHBondContact O-N 2.76Å
31H91.6Very high93.2Very high113 Ų11371.6 Ų71.652%0.52337%0.369SS..  trans-102.1148.5-178.7-52100.4000112.1N29 K40N29-H31 PolarHBondContact O-N 2.68Å; N29-H31 PolarHBondContact OD1-N 2.58Å; N29-H31 PolarHBondContact OD1-ND1 3.27Å; H31-K40 PolarHBondContact O-NZ 3.29Å
32G90.8Very high93.2Very high34 Ų3470 Ų7035%0.35136%0.358SS..SBendtrans137.5170.2177.400000113.9E36 L37G32-E36 WeakPolarHBondContact CA-OE2 3.08Å; G32-L37 WeakPolarHBondContact O-CD1 3.29Å
33R93.5Very high93Very high200 Ų20076 Ų7676%0.75539%0.386SS*.  trans-70.1164172.9-60.4176.9179-175.91.7110.9H35 E36 L37R33-H35 PolarHBondContact O-N 2.91Å; R33-H35 VanDerWaalsContact O-N 3.14Å; R33-E36 VanDerWaalsContact CB-OE1 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.3Å; R33-E36 WeakPolarHBondContact CD-OE1 3.4Å; R33-E36 VanDerWaalsContact CG-OE1 3.27Å; R33-E36 WeakPolarHBondContact CG-OE1 3.46Å; R33-E36 VanDerWaalsContact N-CD 3.3Å; R33-E36 PolarHBondContact N-OE1 3.11Å; R33-E36 PolarHBondContact N-OE2 3.24Å; R33-E36 WeakPolarHBondContact O-CB 3.14Å; R33-E36 PolarHBondContact O-N 2.81Å; R33-L37 PolarHBondContact O-N 2.89Å
34K94.7Very high92.7Very high101 Ų10177 Ų7744%0.43939%0.391SS..Hα-helixtrans-50.6-43.7-179.1-171.4-176.7177.1-174.40112.6L14 V16 L19 L38L14-K34 VanDerWaalsContact O-CE 3.26Å; L14-K34 WeakPolarHBondContact O-CE 3.41Å; V16-K34 HydrophobicContact CG2-CB 3.74Å; V16-K34 HydrophobicContact CG2-CG 4.02Å; L19-K34 HydrophobicContact CD1-CG 4.34Å; K34-L38 WeakPolarHBondContact O-CB 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å
35H95.1Very high92.5Very high139 Ų13976.1 Ų76.164%0.64438%0.376SS*.Hα-helixtrans-64.7-42.4178.8179.872.2000112.6R33 L38 T39R33-H35 PolarHBondContact O-N 2.91Å; R33-H35 VanDerWaalsContact O-N 3.14Å; H35-L38 PolarHBondContact O-N 2.87Å; H35-T39 WeakPolarHBondContact O-CB 3.32Å; H35-T39 PolarHBondContact O-N 3.31Å; H35-T39 PolarHBondContact O-OG1 3.4Å; H35-T39 VanDerWaalsContact O-OG1 3.08Å
36E94.6Very high92Very high80 Ų8080.8 Ų80.837%0.37440%0.398SS..Hα-helixtrans-65-45.3177.6-64.2153-138.300111.8G32 R33 L38 T39 K40G32-E36 WeakPolarHBondContact CA-OE2 3.08Å; R33-E36 VanDerWaalsContact CB-OE1 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.3Å; R33-E36 WeakPolarHBondContact CD-OE1 3.4Å; R33-E36 VanDerWaalsContact CG-OE1 3.27Å; R33-E36 WeakPolarHBondContact CG-OE1 3.46Å; R33-E36 VanDerWaalsContact N-CD 3.3Å; R33-E36 PolarHBondContact N-OE1 3.11Å; R33-E36 PolarHBondContact N-OE2 3.24Å; R33-E36 WeakPolarHBondContact O-CB 3.14Å; R33-E36 PolarHBondContact O-N 2.81Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.14Å; E36-T39 PolarHBondContact O-N 2.85Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.24Å; E36-K40 PolarHBondContact O-N 3.14Å
37L96.4Very high91.3Very high0 Ų082.9 Ų82.90%042%0.416CS..Hα-helixtrans-63.1-40.7176.2-64.4171.6000111.3V16 L19 Q20 L23 G32 R33 K40 A41V16-L37 HydrophobicContact CG1-CD1 3.81Å; L19-L37 HydrophobicContact CB-CB 4.07Å; L19-L37 HydrophobicContact CD1-CB 4.13Å; Q20-L37 HydrophobicContact CG-CD1 3.89Å; Q20-L37 HydrophobicContact CG-CD2 4.44Å; L23-L37 HydrophobicContact CD1-CB 4.17Å; L23-L37 HydrophobicContact CD1-CD2 3.63Å; G32-L37 WeakPolarHBondContact O-CD1 3.29Å; R33-L37 PolarHBondContact O-N 2.89Å; L37-K40 PolarHBondContact O-N 3.44Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 2.83Å
38L95.9Very high90.4Very high30 Ų3082.7 Ų82.716%0.15741%0.413CS..Hα-helixtrans-63.6-46.2175.2-179.465.2000111.1V11 M12 L19 K34 H35 E36 K40 A41 L42V11-L38 HydrophobicContact CG1-CD1 3.79Å; M12-L38 HydrophobicContact CG-CD1 4.22Å; L19-L38 HydrophobicContact CD1-CB 4.29Å; L19-L38 HydrophobicContact CD2-CD1 4.44Å; K34-L38 WeakPolarHBondContact O-CB 3.27Å; K34-L38 PolarHBondContact O-N 2.88Å; H35-L38 PolarHBondContact O-N 2.87Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 3.14Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.21Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CD1-CD1 4.26Å; L38-L42 HydrophobicContact CD1-CG 4.18Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.49Å
39T94.8Very high89.8Confident67 Ų6775.9 Ų75.941%0.41139%0.39SS..Hα-helixtrans-60.1-43.3176.3-67.20000111.4H35 E36 A41 L42 H43H35-T39 WeakPolarHBondContact O-CB 3.32Å; H35-T39 PolarHBondContact O-N 3.31Å; H35-T39 PolarHBondContact O-OG1 3.4Å; H35-T39 VanDerWaalsContact O-OG1 3.08Å; E36-T39 PolarHBondContact O-N 2.85Å; T39-A41 PolarHBondContact O-N 2.85Å; T39-L42 PolarHBondContact O-N 2.84Å; T39-H43 WeakPolarHBondContact O-CB 3.27Å; T39-H43 PolarHBondContact O-N 2.91Å
40K94.1Very high89.6Confident74 Ų7474 Ų7432%0.32238%0.384SS..Hα-helixtrans-59.5-45.4173.3-69.7166.8-174.3-178.80112L23 H31 E36 L37 L38 H43 L44L23-K40 HydrophobicContact CD1-CB 4.04Å; L23-K40 HydrophobicContact CD1-CD 4.37Å; L23-K40 HydrophobicContact CD2-CB 3.81Å; H31-K40 PolarHBondContact O-NZ 3.29Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.24Å; E36-K40 PolarHBondContact O-N 3.14Å; L37-K40 PolarHBondContact O-N 3.44Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.21Å; K40-H43 PolarHBondContact O-N 2.73Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-L44 VanDerWaalsContact O-N 3.1Å
41A94Very high89.2Confident0 Ų073.4 Ų73.40%039%0.392CS..Hα-helixtrans-68.8-35.8179.200000113.2V11 L19 L22 L37 L38 T39 L44 L45V11-A41 HydrophobicContact CG1-CB 3.7Å; L19-A41 HydrophobicContact CD2-CB 3.86Å; L22-A41 HydrophobicContact CD2-CB 4.12Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 2.83Å; L38-A41 PolarHBondContact O-N 2.94Å; T39-A41 PolarHBondContact O-N 2.85Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.96Å; A41-L45 PolarHBondContact O-N 3.36Å
42L93.7Very high89Confident40 Ų4070.1 Ų70.121%0.20938%0.384CS..Hα-helixtrans-71.6-32.8173.6-69.7-179.6000112.3K8 V11 M12 L38 T39 L44 L45 K46K8-L42 HydrophobicContact CG-CD2 3.83Å; V11-L42 HydrophobicContact CB-CD2 4.35Å; V11-L42 HydrophobicContact CG1-CD2 3.92Å; V11-L42 HydrophobicContact CG1-CG 4.33Å; M12-L42 HydrophobicContact CG-CD1 4.46Å; M12-L42 HydrophobicContact CG-CD2 4.46Å; L38-L42 HydrophobicContact CD1-CD1 4.26Å; L38-L42 HydrophobicContact CD1-CG 4.18Å; L38-L42 HydrophobicContact CG-CD1 4.04Å; L38-L42 HydrophobicContact CG-CG 4.33Å; L38-L42 WeakPolarHBondContact O-CB 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 3.49Å; T39-L42 PolarHBondContact O-N 2.84Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 2.63Å; L42-K46 PolarHBondContact O-N 2.87Å; L42-K46 VanDerWaalsContact O-N 3.17Å
43H90.9Very high89Confident127 Ų12769 Ų6959%0.58837%0.371SS*.Hα-helixtrans-65.5-37.8172.8-143.4120.4000111.2T39 K40 L45 K46 A47T39-H43 WeakPolarHBondContact O-CB 3.27Å; T39-H43 PolarHBondContact O-N 2.91Å; K40-H43 PolarHBondContact O-N 2.73Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 2.96Å; H43-K46 PolarHBondContact O-N 2.81Å; H43-K46 VanDerWaalsContact O-N 3.15Å; H43-A47 WeakPolarHBondContact O-CB 3.12Å; H43-A47 PolarHBondContact O-N 2.6Å
44L88.5Confident88.9Confident20 Ų2062.2 Ų62.211%0.10535%0.348CS..Hα-helixtrans-60.7-35.2173.2178.2150.2000112.6A26 K40 A41 L42 C49 V53A26-L44 HydrophobicContact CB-CD1 3.28Å; K40-L44 PolarHBondContact O-N 3.36Å; K40-L44 VanDerWaalsContact O-N 3.1Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.96Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L44-C49 HydrophobicContact CD2-CB 3.99Å; L44-C49 VanDerWaalsContact CD2-SG 3.52Å; L44-V53 HydrophobicContact CD1-CG1 4.19Å; L44-V53 HydrophobicContact CD2-CB 4.38Å; L44-V53 HydrophobicContact CD2-CG1 3.53Å
45L87.7Confident88.7Confident23 Ų2362.3 Ų62.312%0.1235%0.351CS..Hα-helixtrans-67.9-40.9172.4-71.3179.2000112.5L7 K8 V11 A41 L42 H43 C49 I57L7-L45 HydrophobicContact CB-CD1 4.16Å; L7-L45 HydrophobicContact CB-CD2 4.05Å; L7-L45 HydrophobicContact CD1-CD2 4.29Å; K8-L45 HydrophobicContact CB-CD1 4.31Å; V11-L45 HydrophobicContact CB-CD1 4.43Å; V11-L45 HydrophobicContact CG2-CD1 4.05Å; A41-L45 PolarHBondContact O-N 3.36Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 2.63Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 2.96Å; L45-C49 HydrophobicContact CD2-CB 3.92Å; L45-I57 HydrophobicContact CD2-CD1 3.7Å; L45-I57 HydrophobicContact CG-CD1 4.43Å
46K82.3Confident88.5Confident181 Ų18156 Ų5679%0.78732%0.322SS*.Hα-helixtrans-66.9-35178.3-72.1-173.7175.4-172.30113.5L42 H43 G48L42-K46 PolarHBondContact O-N 2.87Å; L42-K46 VanDerWaalsContact O-N 3.17Å; H43-K46 PolarHBondContact O-N 2.81Å; H43-K46 VanDerWaalsContact O-N 3.15Å; K46-G48 PolarHBondContact O-N 2.94Å
47A75.2Confident88.5Confident73 Ų7352.2 Ų52.260%0.60330%0.304SS*.THydrogen-bonded Turntrans-81.412.5-173.600000115H43H43-A47 WeakPolarHBondContact O-CB 3.12Å; H43-A47 PolarHBondContact O-N 2.6Å
48G70.9Confident88.2Confident67 Ų6755.2 Ų55.269%0.69132%0.317SS*.THydrogen-bonded Turntrans84.174-174.300000112.3K46 S50K46-G48 PolarHBondContact O-N 2.94Å; G48-S50 PolarHBondContact O-N 2.68Å
49C78.2Confident88Confident16 Ų1654.2 Ų54.211%0.10831%0.311CS..  trans-64.1123.1179-179.80000112.1L44 L45 Q54L44-C49 HydrophobicContact CD2-CB 3.99Å; L44-C49 VanDerWaalsContact CD2-SG 3.52Å; L45-C49 HydrophobicContact CD2-CB 3.92Å; C49-Q54 HydrophobicContact CB-CG 4.19Å; C49-Q54 PolarHBondContact O-NE2 2.94Å; C49-Q54 VanDerWaalsContact SG-CG 3.52Å
50S85Confident87.9Confident58 Ų5851.4 Ų51.441%0.40629%0.294SS..  trans-64.3150.5178.872.50000111.9G48 A52 V53 Q54G48-S50 PolarHBondContact O-N 2.68Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 VanDerWaalsContact O-N 3.12Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-V53 WeakPolarHBondContact OG-CG2 3.35Å; S50-Q54 PolarHBondContact O-N 3.43Å; S50-Q54 VanDerWaalsContact O-N 3.07Å
51P85.7Confident87.9Confident98 Ų9851.5 Ų51.564%0.63629%0.293SS*.Hα-helixtrans-54.1-36.2-178.7-28.235.6000113.6V53 Q54 M55P51-V53 VanDerWaalsContact C-N 3.35Å; P51-V53 PolarHBondContact O-N 3.26Å; P51-Q54 PolarHBondContact O-N 3Å; P51-M55 VanDerWaalsContact O-CG 3.32Å; P51-M55 WeakPolarHBondContact O-CG 3.31Å; P51-M55 PolarHBondContact O-N 3.3Å
52A86.6Confident87.7Confident44 Ų4458 Ų5836%0.36432%0.317SS..Hα-helixtrans-59.8-41175.600000112.8Y25 S50 M55 K56Y25-A52 HydrophobicContact CE1-CB 4.38Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 VanDerWaalsContact O-N 3.12Å; A52-M55 PolarHBondContact O-N 3.02Å; A52-K56 PolarHBondContact O-N 3.48Å
53V91.2Very high87.4Confident11 Ų1161.6 Ų61.67%0.06733%0.328CS..Hα-helixtrans-77-34178.6-175.70000111.3L22 Y25 A26 L44 S50 P51 M55 K56 I57L22-V53 HydrophobicContact CD1-CG1 3.67Å; Y25-V53 HydrophobicContact CD1-CG2 4.06Å; Y25-V53 HydrophobicContact CE1-CG2 4.04Å; A26-V53 HydrophobicContact CB-CG2 4.22Å; L44-V53 HydrophobicContact CD1-CG1 4.19Å; L44-V53 HydrophobicContact CD2-CB 4.38Å; L44-V53 HydrophobicContact CD2-CG1 3.53Å; S50-V53 PolarHBondContact O-N 3.37Å; S50-V53 WeakPolarHBondContact OG-CG2 3.35Å; P51-V53 VanDerWaalsContact C-N 3.35Å; P51-V53 PolarHBondContact O-N 3.26Å; V53-M55 VanDerWaalsContact C-N 3.31Å; V53-M55 PolarHBondContact O-N 2.96Å; V53-K56 PolarHBondContact O-N 3.26Å; V53-I57 WeakPolarHBondContact O-CG1 3.13Å; V53-I57 PolarHBondContact O-N 3.25Å
54Q91.4Very high87Confident58 Ų5858.8 Ų58.827%0.27131%0.312SS..Hα-helixtrans-59.9-42.7170.4-58.7-177.325.800111.5L7 C49 S50 P51 I57 K58L7-Q54 HydrophobicContact CD1-CB 4.12Å; L7-Q54 HydrophobicContact CD1-CG 3.8Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; C49-Q54 HydrophobicContact CB-CG 4.19Å; C49-Q54 PolarHBondContact O-NE2 2.94Å; C49-Q54 VanDerWaalsContact SG-CG 3.52Å; S50-Q54 PolarHBondContact O-N 3.43Å; S50-Q54 VanDerWaalsContact O-N 3.07Å; P51-Q54 PolarHBondContact O-N 3Å; Q54-I57 PolarHBondContact O-N 2.67Å; Q54-K58 PolarHBondContact O-N 3.21Å; Q54-K58 VanDerWaalsContact O-N 3.07Å
55M90Very high86.9Confident103 Ų10362.3 Ų62.351%0.50733%0.327SS..Hα-helixtrans-61.8-42.3173.4-72.2-67.2-7900111.7P51 A52 V53 I57 K58 E59P51-M55 VanDerWaalsContact O-CG 3.32Å; P51-M55 WeakPolarHBondContact O-CG 3.31Å; P51-M55 PolarHBondContact O-N 3.3Å; A52-M55 PolarHBondContact O-N 3.02Å; V53-M55 VanDerWaalsContact C-N 3.31Å; V53-M55 PolarHBondContact O-N 2.96Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.84Å; M55-K58 PolarHBondContact O-N 3.33Å; M55-E59 WeakPolarHBondContact O-CB 3.4Å; M55-E59 PolarHBondContact O-N 3.1Å
56K92Very high86.2Confident7 Ų765.9 Ų65.93%0.0335%0.351CS..Hα-helixtrans-65.5-34.1176.8-158.260.2167.8179.20112.9L22 Y25 A52 V53 E59 L60 E206 S208L22-K56 HydrophobicContact CD1-CB 4.42Å; Y25-K56 HydrophobicContact CD1-CB 3.89Å; Y25-K56 HydrophobicContact CD1-CG 3.95Å; Y25-K56 HydrophobicContact CD2-CD 4.42Å; Y25-K56 HydrophobicContact CD2-CG 4.31Å; Y25-K56 HydrophobicContact CE1-CB 3.87Å; Y25-K56 HydrophobicContact CE1-CG 4.28Å; Y25-K56 HydrophobicContact CE2-CD 4.48Å; Y25-K56 HydrophobicContact CG-CB 4.42Å; Y25-K56 HydrophobicContact CG-CG 3.98Å; A52-K56 PolarHBondContact O-N 3.48Å; V53-K56 PolarHBondContact O-N 3.26Å; K56-E59 VanDerWaalsContact CD-OE2 3.3Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.93Å; K56-E59 PolarHBondContact NZ-OE1 3.29Å; K56-E59 IonicContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact O-N 3.11Å; K56-L60 HydrophobicContact CG-CD1 4.41Å; K56-L60 WeakPolarHBondContact O-CB 3.24Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 2.86Å; K56-E206 IonicContact NZ-OE2 2.73Å; K56-E206 PolarHBondContact NZ-OE2 2.85Å; K56-S208 PolarHBondContact NZ-OG 3.35Å
57I93.3Very high85.2Confident0 Ų065.8 Ų65.80%035%0.354CS..Hα-helixtrans-62.4-50.8171.8-67.6165.3000110.6L7 M10 V11 L22 L45 V53 Q54 M55 E59 L60 Y61L7-I57 HydrophobicContact CD2-CB 4.03Å; L7-I57 HydrophobicContact CD2-CD1 4.36Å; L7-I57 HydrophobicContact CD2-CG2 3.75Å; M10-I57 HydrophobicContact CB-CG2 3.69Å; M10-I57 HydrophobicContact SD-CG2 4.22Å; V11-I57 HydrophobicContact CG2-CB 4.48Å; V11-I57 HydrophobicContact CG2-CD1 3.66Å; V11-I57 HydrophobicContact CG2-CG1 3.85Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å; L22-I57 HydrophobicContact CD1-CD1 4.42Å; L22-I57 HydrophobicContact CD1-CG1 3.62Å; L22-I57 HydrophobicContact CD2-CD1 4.36Å; L22-I57 HydrophobicContact CD2-CG1 3.8Å; L22-I57 HydrophobicContact CG-CG1 4.38Å; L45-I57 HydrophobicContact CD2-CD1 3.7Å; L45-I57 HydrophobicContact CG-CD1 4.43Å; V53-I57 WeakPolarHBondContact O-CG1 3.13Å; V53-I57 PolarHBondContact O-N 3.25Å; Q54-I57 PolarHBondContact O-N 2.67Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.84Å; I57-E59 VanDerWaalsContact C-N 3.28Å; I57-E59 PolarHBondContact O-N 3.41Å; I57-L60 PolarHBondContact O-N 2.97Å; I57-Y61 WeakPolarHBondContact O-CB 3.37Å; I57-Y61 PolarHBondContact O-N 2.9Å
58K91.6Very high83.6Confident63 Ų6371.9 Ų71.927%0.27437%0.367SS..Hα-helixtrans-60.8-37.7178.3-71.8-178.5175-176.20111.7L7 M10 Q54 M55 R62L7-K58 HydrophobicContact CD2-CG 4.23Å; M10-K58 HydrophobicContact CE-CG 4.26Å; M10-K58 HydrophobicContact SD-CG 3.84Å; Q54-K58 PolarHBondContact O-N 3.21Å; Q54-K58 VanDerWaalsContact O-N 3.07Å; M55-K58 PolarHBondContact O-N 3.33Å; K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.86Å
59E90.9Very high82.2Confident8 Ų876.1 Ų76.14%0.03737%0.372CS..Hα-helixtrans-64.3-51.2175.1-168.7-160.112800112.6M55 K56 I57 Y61 R62 R63 S208M55-E59 WeakPolarHBondContact O-CB 3.4Å; M55-E59 PolarHBondContact O-N 3.1Å; K56-E59 VanDerWaalsContact CD-OE2 3.3Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 IonicContact NZ-OE1 3.93Å; K56-E59 PolarHBondContact NZ-OE1 3.29Å; K56-E59 IonicContact NZ-OE2 3.17Å; K56-E59 PolarHBondContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact O-N 3.11Å; I57-E59 VanDerWaalsContact C-N 3.28Å; I57-E59 PolarHBondContact O-N 3.41Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.39Å; E59-R62 PolarHBondContact O-N 3.28Å; E59-R63 WeakPolarHBondContact O-CG 3.3Å; E59-R63 PolarHBondContact O-N 3.15Å; E59-R63 IonicContact OE1-CZ 3.6Å; E59-R63 IonicContact OE1-NE 3.56Å; E59-R63 PolarHBondContact OE1-NE 2.91Å; E59-R63 IonicContact OE1-NH2 2.82Å; E59-R63 PolarHBondContact OE1-NH2 2.87Å; E59-S208 WeakPolarHBondContact OE2-CB 3.45Å; E59-S208 PolarHBondContact OE2-OG 2.7Å
60L92.3Very high80.1Confident9 Ų982.5 Ų82.55%0.04740%0.402CS..Hα-helixtrans-61.8-39.3178.2-71.1170.4000111.7L14 E18 V21 L22 K56 I57 R64L14-L60 HydrophobicContact CD1-CB 4.45Å; L14-L60 HydrophobicContact CD1-CD1 4.33Å; L14-L60 HydrophobicContact CD2-CB 4.03Å; E18-L60 WeakPolarHBondContact O-CD1 3.24Å; V21-L60 HydrophobicContact CG1-CD2 4.15Å; L22-L60 HydrophobicContact CB-CD1 3.85Å; L22-L60 HydrophobicContact CD1-CD1 4.49Å; K56-L60 HydrophobicContact CG-CD1 4.41Å; K56-L60 WeakPolarHBondContact O-CB 3.24Å; K56-L60 VanDerWaalsContact O-CG 3.27Å; K56-L60 WeakPolarHBondContact O-CG 3.44Å; K56-L60 PolarHBondContact O-N 2.86Å; I57-L60 PolarHBondContact O-N 2.97Å; L60-R64 PolarHBondContact O-N 2.67Å
61Y93.5Very high77.7Confident75 Ų7584.1 Ų84.129%0.29441%0.409SS..Hα-helixtrans-63.6-46.8175-170.8-98000112M10 S13 I57 E59 R63 R64 F65M10-Y61 HydrophobicContact CB-CD2 3.72Å; M10-Y61 HydrophobicContact CB-CE2 4.33Å; M10-Y61 HydrophobicContact CB-CG 4Å; M10-Y61 HydrophobicContact CE-CD1 4.06Å; M10-Y61 HydrophobicContact CE-CE1 4.46Å; M10-Y61 HydrophobicContact CE-CG 4.48Å; M10-Y61 HydrophobicContact CG-CD1 4.04Å; M10-Y61 HydrophobicContact CG-CD2 3.69Å; M10-Y61 HydrophobicContact CG-CE1 4.42Å; M10-Y61 HydrophobicContact CG-CE2 4.09Å; M10-Y61 HydrophobicContact CG-CG 3.65Å; M10-Y61 HydrophobicContact SD-CD1 4.29Å; M10-Y61 HydrophobicContact SD-CG 4.12Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.28Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.28Å; I57-Y61 WeakPolarHBondContact O-CB 3.37Å; I57-Y61 PolarHBondContact O-N 2.9Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.39Å; Y61-R63 PolarHBondContact O-N 2.91Å; Y61-R64 PolarHBondContact O-N 2.87Å; Y61-F65 HydrophobicContact CD1-CD2 4.41Å; Y61-F65 AromaticContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CE2 4.1Å; Y61-F65 HydrophobicContact CE1-CD2 4.07Å; Y61-F65 AromaticContact CE2-CD2 3.49Å; Y61-F65 HydrophobicContact CE2-CD2 3.49Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y61-F65 AromaticContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CG-CD2 4.32Å; Y61-F65 AromaticContact CZ-CD2 3.6Å; Y61-F65 PolarHBondContact O-N 2.9Å
62R90.5Very high75.3Confident138 Ų13886.2 Ų86.252%0.52142%0.423SS..Hα-helixtrans-63.3-37.4178.1-165.3-167.1-53.2111.50.3112.8K58 E59 R64 F65K58-R62 WeakPolarHBondContact O-CB 3.44Å; K58-R62 PolarHBondContact O-N 2.86Å; E59-R62 PolarHBondContact O-N 3.28Å; R62-R64 PolarHBondContact O-N 2.83Å; R62-F65 CarbonylContact O-C 3.54Å; R62-F65 VanDerWaalsContact O-C 3.27Å
63R86.6Confident73.1Confident114 Ų11487.5 Ų87.543%0.4343%0.434SS..Hα-helixtrans-60.8-34.1172.5-73.5-179.2-171.5-149.6-1.7112.4E59 Y61 E206E59-R63 WeakPolarHBondContact O-CG 3.3Å; E59-R63 PolarHBondContact O-N 3.15Å; E59-R63 IonicContact OE1-CZ 3.6Å; E59-R63 IonicContact OE1-NE 3.56Å; E59-R63 PolarHBondContact OE1-NE 2.91Å; E59-R63 IonicContact OE1-NH2 2.82Å; E59-R63 PolarHBondContact OE1-NH2 2.87Å; Y61-R63 PolarHBondContact O-N 2.91Å; R63-E206 IonicContact CZ-OE1 3.42Å; R63-E206 IonicContact NH1-OE1 2.73Å; R63-E206 PolarHBondContact NH1-OE1 3.34Å; R63-E206 IonicContact NH2-OE1 3.96Å; R63-E206 PolarHBondContact NH2-OE1 3.06Å; R63-E206 IonicContact NH2-OE2 3.54Å
64R84Confident70.7Confident69 Ų6993.2 Ų93.226%0.2646%0.464SS..Hα-helixtrans-84.7-33.8-177.9-174.6161.2-174.2-103.26.1113.4S13 E18 L60 Y61 R62S13-R64 PolarHBondContact O-NH1 2.61Å; S13-R64 PolarHBondContact O-NH2 3.19Å; E18-R64 VanDerWaalsContact OE2-CD 3.23Å; E18-R64 WeakPolarHBondContact OE2-CD 3.18Å; E18-R64 IonicContact OE2-NE 2.68Å; L60-R64 PolarHBondContact O-N 2.67Å; Y61-R64 PolarHBondContact O-N 2.87Å; R62-R64 PolarHBondContact O-N 2.83Å
65F85.5Confident68.1Low93 Ų9398.2 Ų98.241%0.40849%0.492SS..SBendtrans-127.878.1177.5-56.3-72.5000110Y61 R62 Q67Y61-F65 HydrophobicContact CD1-CD2 4.41Å; Y61-F65 AromaticContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CD2 3.87Å; Y61-F65 HydrophobicContact CD2-CE2 4.1Å; Y61-F65 HydrophobicContact CE1-CD2 4.07Å; Y61-F65 AromaticContact CE2-CD2 3.49Å; Y61-F65 HydrophobicContact CE2-CD2 3.49Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.49Å; Y61-F65 AromaticContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CE2-CE2 3.58Å; Y61-F65 HydrophobicContact CG-CD2 4.32Å; Y61-F65 AromaticContact CZ-CD2 3.6Å; Y61-F65 PolarHBondContact O-N 2.9Å; R62-F65 CarbonylContact O-C 3.54Å; R62-F65 VanDerWaalsContact O-C 3.27Å; F65-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact O-N 3.13Å
66P74.3Confident65.5Low98 Ų9898.6 Ų98.664%0.63650%0.504SS*.  trans-62.4116.3171.7-17.331.1000108.5K68P66-K68 PolarHBondContact O-N 3.37Å
67Q60.4Low63.2Low180 Ų180106.2 Ų106.284%0.84154%0.544SS*.  trans-65.8121.6168.5-75.3-174.1-22.900108F65 I69F65-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact O-N 3.13Å; Q67-I69 PolarHBondContact O-N 2.97Å; Q67-I69 VanDerWaalsContact O-N 3.09Å
68K40.8Very low60.3Low200 Ų200111.9 Ų111.987%0.8758%0.581SS**  trans-61.1112.3163.2-83.3-172172.8-173.20107.1P66 M70P66-K68 PolarHBondContact O-N 3.37Å; K68-M70 PolarHBondContact O-N 2.78Å
69I43.1Very low57.7Low157 Ų157116.4 Ų116.481%0.80561%0.608SS**  trans-67.5103.7165-63173.7000105.8Q67 T71Q67-I69 PolarHBondContact O-N 2.97Å; Q67-I69 VanDerWaalsContact O-N 3.09Å; I69-T71 PolarHBondContact O-N 2.84Å
70M32.4Very low55.2Low150 Ų150121.6 Ų121.674%0.73964%0.64SS**  trans-68.7115.4165.8-75.5168.96100107.4K68K68-M70 PolarHBondContact O-N 2.78Å
71T35Very low52.5Low91 Ų91129.2 Ų129.256%0.55868%0.675SS**  trans-65.4139.5167.140.60000109.4I69 A73I69-T71 PolarHBondContact O-N 2.84Å; T71-A73 PolarHBondContact O-N 2.9Å
72P35.1Very low49.8Very low142 Ų142131 Ų13192%0.92270%0.698SS**THydrogen-bonded Turntrans-76.358.8-177.932.3-36.4000112.4
73A42.2Very low47.4Very low72 Ų72129.7 Ų129.760%0.59571%0.71SS**THydrogen-bonded Turntrans-123.7-22.8178.700000113.2T71 L75T71-A73 PolarHBondContact O-N 2.9Å; A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.17Å
74D40.5Very low45Very low131 Ų131129.4 Ų129.470%0.70172%0.723SS**SBendtrans-90.422.2-174.8-64.2-38.9000114.3
75L36.3Very low43.1Very low163 Ų163134.5 Ų134.585%0.85375%0.752SS**  trans-116.165.2176.8-70179.7000111.8A73A73-L75 VanDerWaalsContact C-N 3.32Å; A73-L75 PolarHBondContact O-N 3.17Å
76S36.1Very low40.8Very low110 Ų110135.2 Ų135.277%0.76977%0.766SS**  trans-142.4125.8158.552.30000110.5
77I42.2Very low39.2Very low167 Ų167134.7 Ų134.786%0.85677%0.77SS**  trans-83.9135.7-171.2-62.7166.5000108.9
78P33.4Very low38Very low120 Ų120131.7 Ų131.778%0.77976%0.764SS**  trans-78.5135-176.631.2-34.3000111.7
79N36.9Very low37.9Very low157 Ų157129.9 Ų129.984%0.8476%0.763SS**  trans-124.4124.5165.1-164.940.8000113
80V39.1Very low37.7Very low117 Ų117127.1 Ų127.171%0.70976%0.758SS**  trans-41.6125.3-177-179.90000117.4
81H34.8Very low38.3Very low170 Ų170125.8 Ų125.879%0.78776%0.76SS**  trans24.5150.2139.1-64.3-79.5000124.7
82S37.3Very low38.5Very low111 Ų111126.4 Ų126.478%0.77677%0.769SS**  trans93.1132.5155.3-36.10000115.7
83S38.8Very low38.7Very low111 Ų111125.3 Ų125.378%0.77676%0.759SS**  cis-158.8161.3-11-82.70000108.6
84P37.7Very low39.1Very low108 Ų108129.4 Ų129.470%0.70177%0.769SS**  trans-100150.8-168.937.1-33.7000115.1
85M42.6Very low39.2Very low176 Ų176128.2 Ų128.287%0.86777%0.769SS**  trans-162.7156.4140.1-95.1-48.998.700111.2
86P38.3Very low39.4Very low109 Ų109129 Ų12971%0.70877%0.768SS**  trans-113.7-167.4-164.344.3-36.9000114.9
87A40.2Very low39.6Very low87 Ų87131 Ų13172%0.71977%0.769SS**  trans82.8144.5171.800000114.7
88T35.4Very low39.4Very low117 Ų117128.4 Ų128.472%0.71876%0.762SS**  cis-167.2154.1-3.25.20000109.7
89L39.8Very low39.9Very low161 Ų161132.9 Ų132.984%0.84377%0.765SS**  trans61.7150.5153.8-61.3161.9000117.1
90S37.3Very low40.2Very low99 Ų99131.3 Ų131.369%0.69276%0.756SS**  cis-179.3171.4-12.956.80000105.4
91P45.5Very low40.3Very low122 Ų122128.3 Ų128.379%0.79275%0.749SS**  trans-107.8-176.6-14840.6-35.6000115.2
92S39.2Very low40.7Very low105 Ų105128.8 Ų128.873%0.73475%0.751SS**  173.5160.4129.7540000115.5
93T40.4Very low41Very low119 Ų119129.1 Ų129.173%0.7375%0.75SS**  trans81.4133148.4-44.60000118.7
94I49Very low41.1Very low157 Ų157128.4 Ų128.481%0.80575%0.751SS**  cis-170.7169.5-27.5-117.3160.1000109.3
95P43.2Very low41.3Very low106 Ų106128.5 Ų128.569%0.68875%0.754SS**  trans-124.6-168.2-150.846.6-38.2000118.3
96Q41.1Very low40.9Very low181 Ų181125.8 Ų125.885%0.84675%0.753SS**  trans-134.5129155.3-77.9179.7-7900108.4
97L40.3Very low41.3Very low150 Ų150126.6 Ų126.679%0.78576%0.758SS**  71.912761.4-71172000112.7
98T37.4Very low41.2Very low114 Ų114130.6 Ų130.670%0.69977%0.766SS**  cis-162.9156.715.624.10000113.3
99Y44Very low41.3Very low214 Ų214133 Ų13384%0.83977%0.774SS**  trans58144.5151.2-100.5-126.3000119.6
100D42.7Very low41.2Very low124 Ų124130.9 Ų130.966%0.66377%0.77SS**  cis-169.9173-16.3-15734.3000107.4
101G41.5Very low41.3Very low54 Ų54132.1 Ų132.156%0.55777%0.773SS**  cis-177.3151.7-0.700000114.9
102H43.9Very low40.6Very low179 Ų179132.1 Ų132.183%0.82978%0.776SS**  trans64.5147.9160.5-68.5-63.2000125.7
103P43.5Very low40.8Very low118 Ų118135 Ų13577%0.76678%0.782SS**  trans-143.1175-14842.9-21.9000118.4
104A41.1Very low40.5Very low96 Ų96137.6 Ų137.679%0.79379%0.791SS**  trans-170.9150.715300000109.9
105S40.5Very low39.9Very low110 Ų110133.6 Ų133.677%0.76979%0.788SS**  cis-165.4143.4-2147.20000108.3
106S34Very low39.5Very low119 Ų119134.2 Ų134.283%0.83279%0.792SS**  trans-149.9124.7176.1-74.60000111.4
107P47.4Very low39.4Very low126 Ų126135.2 Ų135.282%0.81879%0.794SS**  trans-100.5112.4175.734.1-27.8000113.4
108L38.6Very low39.2Very low171 Ų171135.7 Ų135.790%0.89579%0.791SS**  33.4133.6129.4-57.5173.7000121.9
109L36.1Very low38.8Very low168 Ų168137.7 Ų137.788%0.8879%0.793SS**  trans-64.3167.3160-62.3165.2000112.6
110P37.9Very low38.6Very low116 Ų116135.7 Ų135.775%0.75380%0.796SS**  trans-140134.7132.929.6-12.3000116.8
111V40.7Very low37.9Very low125 Ų125139 Ų13976%0.75881%0.808SS**  trans64.2114.4134.9-175.60000120
112S31.2Very low37.6Very low122 Ų122144.2 Ų144.285%0.85382%0.821SS**  trans-75.5141.6159.1-52.60000111.8
113L41.8Very low37.2Very low165 Ų165141 Ų14186%0.86482%0.817SS**  trans-136.5137.8167-125157.6000110.6
114L35.4Very low36.7Very low175 Ų175144 Ų14492%0.91682%0.82SS**  trans-76.5142-166.1-135.775.8000112.7
115G36.6Very low36.3Very low72 Ų72146.7 Ų146.774%0.74282%0.82SS**  trans-171107.7169.800000112.6
116P35.2Very low35.8Very low119 Ų119147.3 Ų147.377%0.77382%0.819SS**  trans-92.1130.2-179.133.4-30.8000111.9
117K38.8Very low35.9Very low203 Ų203146.7 Ų146.788%0.88382%0.815SS**  trans-172.5124.8150.1-106.1152.9-171-178.40114.2
118H35.4Very low35.6Very low159 Ų159143.6 Ų143.674%0.73680%0.8SS**  trans62.192.6141.3-122.5-75.2000120.7
119E29.6Very low36.5Very low156 Ų156143.2 Ų143.273%0.72980%0.798SS**  44.6100.8114.3-131.2-179.6166.700119.1
120L38.1Very low37.8Very low173 Ų173137.4 Ų137.491%0.90677%0.766SS**  trans-165.6110.9132.2-109.6156.3000109.1L122L120-L122 PolarHBondContact O-N 2.83Å
121E29.3Very low39.4Very low194 Ų194135.1 Ų135.191%0.90775%0.752SS**  trans-67.7122.4-177.9-66.5-177.2116.400111.5
122L34.4Very low40.9Very low162 Ų162132.6 Ų132.685%0.84874%0.737SS**  trans-109.8116.8164.4-160.777.6000107.5L120 H124L120-L122 PolarHBondContact O-N 2.83Å; L122-H124 PolarHBondContact O-N 2.9Å
123P36.1Very low42.9Very low112 Ų112130.4 Ų130.473%0.72771%0.713SS**  trans-64.5124.3-175.925-32.8000109.8L125P123-L125 PolarHBondContact O-N 2.72Å; P123-L125 VanDerWaalsContact O-N 3.08Å
124H33.1Very low44.3Very low180 Ų180127.3 Ų127.383%0.83370%0.702SS**  trans-52.9119172.1-92.9-41.2000109.5L122 T126L122-H124 PolarHBondContact O-N 2.9Å; H124-T126 PolarHBondContact O-N 2.64Å
125L32.6Very low46.6Very low154 Ų154124.5 Ų124.581%0.80669%0.688SS**  trans-67.678.9163.8-74.9169.7000108.6P123 S127P123-L125 PolarHBondContact O-N 2.72Å; P123-L125 VanDerWaalsContact O-N 3.08Å; L125-S127 PolarHBondContact O-N 3.16Å
126T30.1Very low49.2Very low122 Ų122121.3 Ų121.375%0.74865%0.654SS**  trans-58.5111.4154.544.90000106H124 A128H124-T126 PolarHBondContact O-N 2.64Å; T126-A128 PolarHBondContact O-N 3.36Å
127S35.3Very low51.9Low106 Ų106122.4 Ų122.474%0.74165%0.647SS**  trans-6883.5173-167.60000107.3L125 L129L125-S127 PolarHBondContact O-N 3.16Å; S127-L129 PolarHBondContact O-N 3.14Å
128A42.2Very low54.6Low61 Ų61113.6 Ų113.650%0.50461%0.609SS.*  trans-56109.9169.300000105.8T126 H130T126-A128 PolarHBondContact O-N 3.36Å; A128-H130 PolarHBondContact O-CE1 3.44Å; A128-H130 PolarHBondContact O-N 3.29Å; A128-H130 PolarHBondContact O-ND1 2.87Å
129L56Low57.4Low163 Ų163109.6 Ų109.685%0.85359%0.591SS**  trans-66.887-178.6-71.1169.6000107.9S127S127-L129 PolarHBondContact O-N 3.14Å
130H65.2Low60.6Low46 Ų46110.6 Ų110.621%0.21359%0.593CS.*  trans-52.1130.6175.4-63.7104.8000108.2A128 V132 T154 T167 C168 F169A128-H130 PolarHBondContact O-CE1 3.44Å; A128-H130 PolarHBondContact O-N 3.29Å; A128-H130 PolarHBondContact O-ND1 2.87Å; H130-V132 PolarHBondContact O-N 2.8Å; H130-T154 HydrophobicContact CB-CG2 3.36Å; H130-T167 WeakPolarHBondContact NE2-CG2 3.37Å; H130-C168 PolarHBondContact CE1-O 2.91Å; H130-C168 VanDerWaalsContact CE1-O 3.31Å; H130-F169 HydrophobicContact CB-CE1 4.12Å; H130-F169 AromaticContact CG-CE1 3.87Å; H130-F169 AromaticContact ND1-CE1 3.77Å
131P71.2Confident63.4Low68 Ų68104.1 Ų104.144%0.44256%0.559SS.*  trans-63.1108.1-172.821.4-30.1000109.6S155P131-S155 PolarHBondContact O-N 2.94Å
132V71Confident66.6Low73 Ų7395.8 Ų95.844%0.44252%0.522SS..BIsolated β-bridgetrans-69.3126.9169.9-178.40000106.9H130 P134 K152H130-V132 PolarHBondContact O-N 2.8Å; V132-P134 VanDerWaalsContact O-CD 3.23Å; V132-P134 WeakPolarHBondContact O-CD 3.34Å; V132-K152 HydrophobicContact CG1-CB 3.9Å
133H73.4Confident69.6Low76 Ų7688.8 Ų88.835%0.35248%0.484SS..  trans-107.890.8178.9-76.6-52.6000108.9D135 I136 P153H133-D135 PolarHBondContact O-N 3.25Å; H133-I136 HydrophobicContact CB-CB 4.48Å; H133-I136 HydrophobicContact CB-CD1 3.53Å; H133-I136 HydrophobicContact CB-CG1 3.8Å; H133-I136 PolarHBondContact O-N 2.92Å; H133-P153 PolarHBondContact N-O 2.82Å
134P70.5Confident72.6Confident100 Ų10086.2 Ų86.265%0.64946%0.461SS*.THydrogen-bonded Turntrans-62.9-17.8-173.726.7-36.3000113.9V132V132-P134 VanDerWaalsContact O-CD 3.23Å; V132-P134 WeakPolarHBondContact O-CD 3.34Å
135D84Confident75.7Confident116 Ų11680 Ų8062%0.6243%0.433SS*.THydrogen-bonded Turntrans-79.8-19.9178-61-31000113.6H133 K137 T207H133-D135 PolarHBondContact O-N 3.25Å; D135-K137 PolarHBondContact O-N 3.44Å; D135-T207 HydrophobicContact CB-CG2 3.72Å
136I90.9Very high78.8Confident5 Ų577.3 Ų77.33%0.02642%0.419CS..  trans-75.2127.1178.1-62.3175.1000108.2H133 P153 T207 S279H133-I136 HydrophobicContact CB-CB 4.48Å; H133-I136 HydrophobicContact CB-CD1 3.53Å; H133-I136 HydrophobicContact CB-CG1 3.8Å; H133-I136 PolarHBondContact O-N 2.92Å; I136-P153 HydrophobicContact CB-CB 3.86Å; I136-P153 HydrophobicContact CG2-CB 3.88Å; I136-P153 WeakPolarHBondContact O-CG 3.19Å; I136-T207 HydrophobicContact CG1-CG2 3.77Å; I136-S279 WeakPolarHBondContact CD1-OG 3.31Å
137K92.7Very high82Confident142 Ų14275 Ų7562%0.61740%0.402SS*.  trans-126133.4175.7-63179.7-177.3178.30108.2D135 P210 Q211D135-K137 PolarHBondContact O-N 3.44Å; K137-P210 CarbonylContact O-C 3.55Å; K137-P210 VanDerWaalsContact O-CA 3.26Å; K137-P210 WeakPolarHBondContact O-CA 3.47Å; K137-Q211 PolarHBondContact O-N 2.98Å
138L95.1Very high85Confident17 Ų1773.2 Ų73.29%0.08938%0.384CS..BIsolated β-bridgetrans-85150.4170.7-73.287.8000110P153 R201 C203 Q211 A281 Y283L138-P153 HydrophobicContact CD1-CB 4.48Å; L138-P153 HydrophobicContact CD1-CG 3.9Å; L138-R201 HydrophobicContact CD2-CB 3.47Å; L138-R201 VanDerWaalsContact CD2-CB 3.47Å; L138-R201 HydrophobicContact CD2-CG 4.33Å; L138-C203 HydrophobicContact CD2-CB 4.16Å; L138-C203 HydrophobicContact CG-CB 4.16Å; L138-Q211 CarbonylContact C-O 3.46Å; L138-Q211 WeakPolarHBondContact CA-O 3.48Å; L138-A281 HydrophobicContact CD1-CB 4.09Å; L138-Y283 HydrophobicContact CD1-CE2 4.45Å
139Q94.8Very high87.5Confident75 Ų7574 Ų7435%0.3538%0.377SS..PPolyproline II helixtrans-63.1136.8173.7-170.3178.91000109.7R201 P210 Q211Q139-R201 PolarHBondContact O-NH1 3.35Å; Q139-R201 PolarHBondContact O-NH2 2.81Å; Q139-P210 HydrophobicContact CB-CB 4.43Å; Q139-Q211 PolarHBondContact N-O 2.97Å
140K95.7Very high89.5Confident177 Ų17767.6 Ų67.677%0.7734%0.344SS*.PPolyproline II helixtrans-62.7141.7174.6-63.9-171.9177.7-172.10109.9
141L97.2Very high91Very high38 Ų3866.3 Ų66.320%0.19934%0.338CS..  trans-106.2118.6178.2-63.1173.1000108F143 Y144 P249L141-F143 PolarHBondContact O-N 3.24Å; L141-F143 VanDerWaalsContact O-N 3.13Å; L141-Y144 HydrophobicContact CB-CD2 3.78Å; L141-Y144 HydrophobicContact CD1-CD2 4.02Å; L141-Y144 HydrophobicContact CD1-CE2 4.45Å; L141-Y144 PolarHBondContact O-N 3.33Å; L141-P249 HydrophobicContact CD1-CB 3.91Å; L141-P249 HydrophobicContact CD1-CG 3.7Å
142P97.4Very high92.1Very high19 Ų1968.8 Ų68.812%0.12334%0.342CS..THydrogen-bonded Turntrans-57.9-34-171.2-3036.9000114.7Y144 L293 W372 Y383P142-Y144 PolarHBondContact O-N 2.77Å; P142-L293 HydrophobicContact CB-CD1 4.38Å; P142-L293 HydrophobicContact CB-CD2 4.12Å; P142-L293 WeakPolarHBondContact O-CD2 3.14Å; P142-W372 HydrophobicContact CB-CH2 4.23Å; P142-W372 HydrophobicContact CB-CZ2 3.78Å; P142-W372 HydrophobicContact CG-CH2 4.35Å; P142-W372 HydrophobicContact CG-CZ2 3.68Å; P142-Y383 HydrophobicContact CB-CD1 3.92Å; P142-Y383 HydrophobicContact CB-CG 3.81Å; P142-Y383 VanDerWaalsContact CG-CB 3.46Å; P142-Y383 HydrophobicContact CG-CD1 4.3Å; P142-Y383 HydrophobicContact CG-CG 4.11Å
143F97.8Very high93.3Very high15 Ų1565.7 Ų65.77%0.06632%0.323CS..THydrogen-bonded Turntrans-797.7179.2-70.8-83.2000114.5L141 Q287 L288 L293 I363 N366 E367 W372L141-F143 PolarHBondContact O-N 3.24Å; L141-F143 VanDerWaalsContact O-N 3.13Å; F143-Q287 CarbonylContact O-C 3.59Å; F143-Q287 WeakPolarHBondContact O-CA 3.42Å; F143-L288 WeakPolarHBondContact CD1-O 3.33Å; F143-L288 PolarHBondContact O-N 2.79Å; F143-L293 HydrophobicContact CB-CD1 4.46Å; F143-L293 HydrophobicContact CD1-CD1 3.31Å; F143-L293 HydrophobicContact CD2-CD1 4.08Å; F143-L293 HydrophobicContact CE1-CD1 3.29Å; F143-L293 HydrophobicContact CE2-CD1 4.06Å; F143-L293 HydrophobicContact CG-CD1 3.7Å; F143-L293 HydrophobicContact CZ-CD1 3.65Å; F143-I363 HydrophobicContact CE1-CG2 4.24Å; F143-I363 HydrophobicContact CZ-CG2 3.93Å; F143-I363 WeakPolarHBondContact CZ-O 3.14Å; F143-N366 HydrophobicContact CE2-CB 4.06Å; F143-N366 HydrophobicContact CZ-CB 4.4Å; F143-E367 HydrophobicContact CD1-CB 4.31Å; F143-E367 HydrophobicContact CD1-CG 4.16Å; F143-E367 HydrophobicContact CE1-CB 3.45Å; F143-E367 VanDerWaalsContact CE1-CB 3.45Å; F143-E367 HydrophobicContact CE1-CG 3.68Å; F143-E367 HydrophobicContact CE2-CB 4.43Å; F143-E367 HydrophobicContact CZ-CB 3.55Å; F143-E367 HydrophobicContact CZ-CG 4.28Å; F143-W372 AromaticContact CD2-CZ2 3.99Å; F143-W372 HydrophobicContact CD2-CZ2 3.99Å; F143-W372 AromaticContact CE2-CH2 3.86Å; F143-W372 HydrophobicContact CE2-CH2 3.86Å; F143-W372 AromaticContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CE2-CZ2 3.47Å; F143-W372 VanDerWaalsContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CZ-CH2 4.42Å; F143-W372 HydrophobicContact CZ-CZ2 4.43Å
144Y98.1Very high94.3Very high58 Ų5862.4 Ų62.423%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-138.5119.9-178.8-61.2-84.1000111.9L141 P142 Q199 V285 K286 Q287L141-Y144 HydrophobicContact CB-CD2 3.78Å; L141-Y144 HydrophobicContact CD1-CD2 4.02Å; L141-Y144 HydrophobicContact CD1-CE2 4.45Å; L141-Y144 PolarHBondContact O-N 3.33Å; P142-Y144 PolarHBondContact O-N 2.77Å; Y144-Q199 VanDerWaalsContact CD1-NE2 3.31Å; Y144-Q199 VanDerWaalsContact CE1-NE2 3.27Å; Y144-V285 HydrophobicContact CD1-CB 4.19Å; Y144-V285 HydrophobicContact CD1-CG2 3.66Å; Y144-V285 HydrophobicContact CE1-CG2 4.31Å; Y144-V285 HydrophobicContact CG-CG2 4.46Å; Y144-K286 WeakPolarHBondContact CA-O 3.41Å; Y144-Q287 HydrophobicContact CD1-CB 4.08Å; Y144-Q287 HydrophobicContact CD1-CG 4.4Å; Y144-Q287 HydrophobicContact CE1-CB 3.83Å; Y144-Q287 HydrophobicContact CE1-CG 3.88Å
145D97.8Very high95.4Very high48 Ų4858.3 Ų58.326%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-77.6131.4160.9-73.1-29.1000109.1V285 K286 R296D145-V285 CarbonylContact O-C 3.57Å; D145-V285 WeakPolarHBondContact O-CA 3.49Å; D145-V285 WeakPolarHBondContact O-CB 3.49Å; D145-K286 HydrophobicContact CB-CB 4.34Å; D145-K286 PolarHBondContact N-O 3.18Å; D145-K286 PolarHBondContact O-N 3.37Å; D145-R296 IonicContact OD1-CZ 3.16Å; D145-R296 IonicContact OD1-NH1 3.71Å; D145-R296 PolarHBondContact OD1-NH1 2.87Å; D145-R296 IonicContact OD1-NH2 2.77Å; D145-R296 PolarHBondContact OD1-NH2 2.88Å; D145-R296 IonicContact OD2-CZ 3.05Å; D145-R296 IonicContact OD2-NH1 2.64Å; D145-R296 IonicContact OD2-NH2 3.51Å; D145-R296 PolarHBondContact OD2-NH2 2.72Å
146L97.6Very high95.7Very high99 Ų9952.9 Ų52.952%0.51825%0.253SS..EExtended strand (participates in β ladder)trans-79.9119.5170.5-172.3158.8000108.3E149 Y283L146-E149 HydrophobicContact CD2-CG 4.31Å; L146-Y283 HydrophobicContact CD1-CD1 3.56Å; L146-Y283 HydrophobicContact CD1-CE1 3.7Å; L146-Y283 HydrophobicContact CD1-CG 4.3Å; L146-Y283 HydrophobicContact CG-CD1 4.05Å
147L98Very high95Very high72 Ų7254.4 Ų54.438%0.37727%0.267SS..EExtended strand (participates in β ladder)trans-94.5-41.3176.6-56.2-176.1000111.6V196 L284 K286L147-V196 HydrophobicContact CD1-CG1 3.79Å; L147-V196 HydrophobicContact CD1-CG2 4.17Å; L147-L284 WeakPolarHBondContact CA-O 3.4Å; L147-L284 HydrophobicContact CB-CB 4.37Å; L147-L284 HydrophobicContact CB-CD2 4.22Å; L147-L284 HydrophobicContact CB-CG 4.15Å; L147-L284 WeakPolarHBondContact CB-O 3.37Å; L147-L284 HydrophobicContact CD1-CD2 4.41Å; L147-L284 HydrophobicContact CD1-CG 4.26Å; L147-L284 PolarHBondContact N-O 2.81Å; L147-K286 HydrophobicContact CD1-CB 4.21Å; L147-K286 HydrophobicContact CD2-CB 4.28Å; L147-K286 HydrophobicContact CG-CB 4.34Å
148D97.7Very high93.5Very high70 Ų7050.5 Ų50.537%0.37426%0.258SS..EExtended strand (participates in β ladder)trans-157.1159.7-179.5-151.8-13.6000113.1Q177 Y283 L284D148-Q177 PolarHBondContact OD2-NE2 3Å; D148-Y283 WeakPolarHBondContact O-CA 3.37Å; D148-L284 HydrophobicContact CB-CB 3.96Å; D148-L284 HydrophobicContact CB-CD2 4.43Å; D148-L284 PolarHBondContact N-O 2.94Å; D148-L284 VanDerWaalsContact N-O 3.17Å; D148-L284 PolarHBondContact O-N 3.47Å
149E96.4Very high92Very high77 Ų7754.1 Ų54.136%0.3628%0.277SS..EExtended strand (participates in β ladder)trans-10582.7176-55.7-160.2136.900111.2L146 I151 K152 Y283L146-E149 HydrophobicContact CD2-CG 4.31Å; E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.41Å; E149-K152 HydrophobicContact CB-CG 4.35Å; E149-Y283 HydrophobicContact CB-CD1 4.35Å; E149-Y283 HydrophobicContact CB-CE1 4.31Å; E149-Y283 HydrophobicContact CG-CD1 4.02Å; E149-Y283 HydrophobicContact CG-CE1 3.79Å
150L97.4Very high90.5Very high29 Ų2957.9 Ų57.915%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-61.9-36.1-179.1-56179.9000113F171 L173 V198 V282 L284L150-F171 HydrophobicContact CB-CD2 4.14Å; L150-F171 HydrophobicContact CB-CG 4.47Å; L150-F171 HydrophobicContact CD1-CD2 3.98Å; L150-F171 HydrophobicContact CD1-CE2 3.85Å; L150-L173 HydrophobicContact CD1-CD2 3.81Å; L150-L173 HydrophobicContact CD2-CD2 4.14Å; L150-V198 HydrophobicContact CD1-CG1 4.01Å; L150-V198 HydrophobicContact CD1-CG2 4.21Å; L150-V282 HydrophobicContact CB-CB 4.36Å; L150-V282 HydrophobicContact CB-CG1 4.14Å; L150-V282 HydrophobicContact CD1-CG1 4.25Å; L150-V282 PolarHBondContact N-O 2.94Å; L150-L284 HydrophobicContact CD1-CB 4.29Å; L150-L284 HydrophobicContact CD2-CB 4.43Å; L150-L284 HydrophobicContact CG-CB 4.26Å
151I96.6Very high89.1Confident18 Ų1853.8 Ų53.89%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-137.8115.9167-56.4-175.1000108E149 F169 F171 A281 V282E149-I151 VanDerWaalsContact C-N 3.31Å; E149-I151 PolarHBondContact O-N 3.41Å; I151-F169 HydrophobicContact CD1-CB 3.97Å; I151-F171 HydrophobicContact CD1-CB 4.09Å; I151-F171 HydrophobicContact CD1-CD1 4.11Å; I151-F171 HydrophobicContact CD1-CG 4.5Å; I151-F171 HydrophobicContact CG1-CB 3.87Å; I151-F171 HydrophobicContact CG1-CG 4.47Å; I151-A281 WeakPolarHBondContact O-CA 3.26Å; I151-V282 HydrophobicContact CB-CB 3.88Å; I151-V282 HydrophobicContact CB-CG2 3.99Å; I151-V282 HydrophobicContact CD1-CB 4.37Å; I151-V282 HydrophobicContact CD1-CG2 3.84Å; I151-V282 HydrophobicContact CG1-CB 4.01Å; I151-V282 HydrophobicContact CG1-CG2 4.02Å; I151-V282 PolarHBondContact N-O 3.33Å; I151-V282 PolarHBondContact O-N 3.43Å
152K95.1Very high88Confident121 Ų12158.4 Ų58.453%0.52631%0.314SS..EExtended strand (participates in β ladder)trans-62157.1174.9-64.8-170172.2178.30111.7V132 E149 T154V132-K152 HydrophobicContact CG1-CB 3.9Å; E149-K152 HydrophobicContact CB-CG 4.35Å; K152-T154 WeakPolarHBondContact O-CB 3.21Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-T154 PolarHBondContact O-OG1 3.06Å
153P95.1Very high87.4Confident7 Ų767.8 Ų67.85%0.04535%0.347CS..EExtended strand (participates in β ladder)trans-48.5106.6174.5-31.739.1000113.1H133 I136 L138 M280 A281H133-P153 PolarHBondContact N-O 2.82Å; I136-P153 HydrophobicContact CB-CB 3.86Å; I136-P153 HydrophobicContact CG2-CB 3.88Å; I136-P153 WeakPolarHBondContact O-CG 3.19Å; L138-P153 HydrophobicContact CD1-CB 4.48Å; L138-P153 HydrophobicContact CD1-CG 3.9Å; P153-M280 WeakPolarHBondContact CA-O 3.44Å; P153-A281 HydrophobicContact CG-CB 4.13Å
154T94.6Very high86.9Confident8 Ų872.1 Ų72.15%0.04937%0.366CS..EExtended strand (participates in β ladder)trans-121.7138.3-171.2-60.30000109.4H130 K152 F169 S279 M280H130-T154 HydrophobicContact CB-CG2 3.36Å; K152-T154 WeakPolarHBondContact O-CB 3.21Å; K152-T154 PolarHBondContact O-N 2.91Å; K152-T154 PolarHBondContact O-OG1 3.06Å; T154-F169 HydrophobicContact CG2-CE1 3.8Å; T154-S279 CarbonylContact O-C 3.27Å; T154-S279 WeakPolarHBondContact O-CA 3.45Å; T154-S279 WeakPolarHBondContact O-CB 3.42Å; T154-M280 PolarHBondContact N-O 3.46Å; T154-M280 PolarHBondContact O-N 2.9Å
155S92.6Very high86.5Confident13 Ų1370.5 Ų70.59%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-67.9132.7-178.8-151.90000112P131 A157P131-S155 PolarHBondContact O-N 2.94Å; S155-A157 PolarHBondContact O-N 3.5Å
156L91.5Very high86.3Confident2 Ų273.4 Ų73.41%0.0137%0.371CS..  trans-75.3107.2164.8-65.3-173000107.6S158 F169 F202 P216 V268 W270 Y278 M280L156-S158 PolarHBondContact O-N 3.43Å; L156-F169 HydrophobicContact CD2-CE2 3.65Å; L156-F169 HydrophobicContact CD2-CZ 3.68Å; L156-F202 HydrophobicContact CD1-CD1 4.09Å; L156-F202 HydrophobicContact CD1-CE1 4.1Å; L156-P216 HydrophobicContact CD1-CG 3.75Å; L156-V268 HydrophobicContact CD1-CG1 4.22Å; L156-V268 HydrophobicContact CD2-CG1 4.32Å; L156-W270 HydrophobicContact CB-CH2 3.7Å; L156-W270 HydrophobicContact CB-CZ2 3.61Å; L156-W270 HydrophobicContact CB-CZ3 4.25Å; L156-W270 HydrophobicContact CD1-CD2 4.29Å; L156-W270 HydrophobicContact CD1-CE3 4.33Å; L156-W270 HydrophobicContact CD2-CZ3 4.46Å; L156-Y278 WeakPolarHBondContact CB-O 3.32Å; L156-Y278 PolarHBondContact N-O 3.38Å; L156-M280 HydrophobicContact CD2-CB 3.85Å; L156-M280 HydrophobicContact CD2-SD 4.24Å; L156-M280 HydrophobicContact CG-CB 4.37Å
157A75.1Confident86.1Confident38 Ų3869.3 Ų69.331%0.31435%0.35SS..  trans-62.2119.6-164.900000112.9S155S155-A157 PolarHBondContact O-N 3.5Å
158S63Low85.9Confident60 Ų6068.5 Ų68.542%0.4235%0.35SS..  trans-97.880.2168.6-173.70000110.1L156L156-S158 PolarHBondContact O-N 3.43Å
159D63.4Low85.9Confident93 Ų9365.8 Ų65.850%0.49734%0.335SS..  trans-57.6166.2146.2165.454.5000108.9S161 R165D159-S161 WeakPolarHBondContact OD2-CB 3.47Å; D159-S161 PolarHBondContact OD2-N 3.46Å; D159-S161 PolarHBondContact OD2-OG 2.87Å; D159-R165 PolarHBondContact O-NH1 2.93Å; D159-R165 PolarHBondContact O-NH2 2.83Å; D159-R165 IonicContact OD2-CZ 3.84Å; D159-R165 IonicContact OD2-NH1 2.88Å; D159-R165 PolarHBondContact OD2-NH1 3.01Å; D159-R165 IonicContact OD2-NH2 3.91Å
160N61.6Low85.9Confident154 Ų15465.2 Ų65.282%0.82434%0.343SS*.SBendtrans-109.40.4-167.6-119.3-1.8000115.3R165N160-R165 VanDerWaalsContact C-NH2 3.27Å
161S66.8Low85.9Confident91 Ų9164.3 Ų64.364%0.63634%0.338SS*.SBendtrans-80.2-36-172.261.70000117.9D159D159-S161 WeakPolarHBondContact OD2-CB 3.47Å; D159-S161 PolarHBondContact OD2-N 3.46Å; D159-S161 PolarHBondContact OD2-OG 2.87Å
162Q74.8Confident86Confident134 Ų13466.6 Ų66.663%0.62636%0.36SS*.  trans-123.5150.8-172-62.5-174.8-300113.6F164 R165Q162-F164 WeakPolarHBondContact CB-O 3.36Å; Q162-R165 PolarHBondContact O-NE 3.17Å; Q162-R165 PolarHBondContact O-NH2 3.08Å
163R83.8Confident86.1Confident216 Ų21661.1 Ų61.182%0.81534%0.336SS*.SBendtrans-76.6-46.1174.4-76.1-167.1-179-164.73112.6T271 A272R163-T271 WeakPolarHBondContact O-CA 3.42Å; R163-A272 PolarHBondContact O-N 3.34Å
164F87.6Confident86.3Confident106 Ų10663.7 Ų63.747%0.46535%0.352SS..EExtended strand (participates in β ladder)trans-79.8141.6172.2-167.2-102.1000108.9Q162 W270Q162-F164 WeakPolarHBondContact CB-O 3.36Å; F164-W270 CarbonylContact C-O 3.58Å; F164-W270 WeakPolarHBondContact CA-O 3.48Å
165R90.4Very high86.4Confident24 Ų2467.8 Ų67.89%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-131.3148.2179.9-64.5-63.8165.3166.46.3109.5D159 N160 Q162 S269 W270 A272D159-R165 PolarHBondContact O-NH1 2.93Å; D159-R165 PolarHBondContact O-NH2 2.83Å; D159-R165 IonicContact OD2-CZ 3.84Å; D159-R165 IonicContact OD2-NH1 2.88Å; D159-R165 PolarHBondContact OD2-NH1 3.01Å; D159-R165 IonicContact OD2-NH2 3.91Å; N160-R165 VanDerWaalsContact C-NH2 3.27Å; Q162-R165 PolarHBondContact O-NE 3.17Å; Q162-R165 PolarHBondContact O-NH2 3.08Å; R165-S269 CarbonylContact O-C 3.55Å; R165-S269 WeakPolarHBondContact O-CA 3.39Å; R165-S269 WeakPolarHBondContact O-CB 3.47Å; R165-W270 HydrophobicContact CB-CD2 3.79Å; R165-W270 HydrophobicContact CB-CE3 3.9Å; R165-W270 HydrophobicContact CB-CH2 3.6Å; R165-W270 HydrophobicContact CB-CZ2 3.48Å; R165-W270 VanDerWaalsContact CB-CZ2 3.48Å; R165-W270 HydrophobicContact CB-CZ3 3.81Å; R165-W270 HydrophobicContact CG-CH2 4.44Å; R165-W270 HydrophobicContact CG-CZ2 3.95Å; R165-W270 PolarHBondContact N-O 3.29Å; R165-W270 PolarHBondContact O-N 2.76Å; R165-A272 HydrophobicContact CG-CB 4.12Å
166E92.7Very high86.7Confident110 Ų11073.4 Ų73.451%0.51440%0.403SS..EExtended strand (participates in β ladder)trans-136.5144.8170.7-173.3157.2105.200108.8V267 V268 S269E166-V267 HydrophobicContact CG-CG1 3.43Å; E166-V267 VanDerWaalsContact CG-CG1 3.43Å; E166-V268 CarbonylContact C-O 3.57Å; E166-V268 VanDerWaalsContact CA-O 3.3Å; E166-V268 WeakPolarHBondContact CA-O 3.36Å; E166-S269 WeakPolarHBondContact OE2-CB 3.32Å; E166-S269 PolarHBondContact OE2-OG 3.24Å
167T93.4Very high87Confident13 Ų1373.9 Ų73.98%0.0841%0.405CS..EExtended strand (participates in β ladder)trans-148.4137.9178.7-60.10000109.6H130 F169 V268 W270H130-T167 WeakPolarHBondContact NE2-CG2 3.37Å; T167-F169 HydrophobicContact CG2-CD2 4.2Å; T167-F169 HydrophobicContact CG2-CE1 4.29Å; T167-F169 HydrophobicContact CG2-CE2 3.43Å; T167-F169 VanDerWaalsContact CG2-CE2 3.43Å; T167-F169 HydrophobicContact CG2-CZ 3.47Å; T167-F169 VanDerWaalsContact CG2-CZ 3.47Å; T167-V268 PolarHBondContact N-O 2.93Å; T167-V268 PolarHBondContact O-N 2.91Å; T167-W270 VanDerWaalsContact OG1-CH2 3.27Å; T167-W270 WeakPolarHBondContact OG1-CH2 3.31Å; T167-W270 WeakPolarHBondContact OG1-CZ3 3.28Å
168C94.9Very high88Confident55 Ų5573.1 Ų73.137%0.37240%0.397SS..EExtended strand (participates in β ladder)trans-107.2133179.6-1700000110.6H130 I266 V267H130-C168 PolarHBondContact CE1-O 2.91Å; H130-C168 VanDerWaalsContact CE1-O 3.31Å; C168-I266 WeakPolarHBondContact CA-O 3.41Å; C168-V267 HydrophobicContact CB-CG2 4.44Å
169F96.8Very high89.7Confident12 Ų1276.9 Ų76.95%0.05341%0.408CS..EExtended strand (participates in β ladder)trans-120.7153.1175.7-61.6-88.2000109.4H130 I151 T154 L156 T167 T265 I266 V268 M280H130-F169 HydrophobicContact CB-CE1 4.12Å; H130-F169 AromaticContact CG-CE1 3.87Å; H130-F169 AromaticContact ND1-CE1 3.77Å; I151-F169 HydrophobicContact CD1-CB 3.97Å; T154-F169 HydrophobicContact CG2-CE1 3.8Å; L156-F169 HydrophobicContact CD2-CE2 3.65Å; L156-F169 HydrophobicContact CD2-CZ 3.68Å; T167-F169 HydrophobicContact CG2-CD2 4.2Å; T167-F169 HydrophobicContact CG2-CE1 4.29Å; T167-F169 HydrophobicContact CG2-CE2 3.43Å; T167-F169 VanDerWaalsContact CG2-CE2 3.43Å; T167-F169 HydrophobicContact CG2-CZ 3.47Å; T167-F169 VanDerWaalsContact CG2-CZ 3.47Å; F169-T265 CarbonylContact O-C 3.57Å; F169-T265 WeakPolarHBondContact O-CA 3.26Å; F169-I266 PolarHBondContact N-O 3.22Å; F169-I266 PolarHBondContact O-N 3.44Å; F169-V268 HydrophobicContact CD2-CG2 4.32Å; F169-V268 HydrophobicContact CE2-CG2 4.39Å; F169-M280 HydrophobicContact CD1-SD 4.36Å; F169-M280 HydrophobicContact CD2-CE 3.99Å; F169-M280 HydrophobicContact CD2-SD 3.32Å; F169-M280 WeakPolarHBondContact CD2-SD 3.39Å; F169-M280 HydrophobicContact CE1-SD 4.44Å; F169-M280 HydrophobicContact CE2-SD 3.41Å; F169-M280 WeakPolarHBondContact CE2-SD 3.3Å; F169-M280 HydrophobicContact CG-CE 4.37Å; F169-M280 HydrophobicContact CG-SD 3.84Å; F169-M280 HydrophobicContact CZ-SD 4.01Å
170A97Very high91.3Very high65 Ų6575.7 Ų75.754%0.53740%0.399SS..EExtended strand (participates in β ladder)trans-137.1147.2174.800000111.1N264 T265A170-N264 CarbonylContact C-O 3.57Å; A170-N264 VanDerWaalsContact CA-O 3.24Å; A170-N264 WeakPolarHBondContact CA-O 3.14Å; A170-T265 HydrophobicContact CB-CG2 4.49Å
171F97.9Very high92.9Very high11 Ų1168.3 Ų68.35%0.04836%0.36CS..EExtended strand (participates in β ladder)trans-144.7155.7171.369-81.9000110.3L150 I151 L173 V198 V256 N264 I266 V282L150-F171 HydrophobicContact CB-CD2 4.14Å; L150-F171 HydrophobicContact CB-CG 4.47Å; L150-F171 HydrophobicContact CD1-CD2 3.98Å; L150-F171 HydrophobicContact CD1-CE2 3.85Å; I151-F171 HydrophobicContact CD1-CB 4.09Å; I151-F171 HydrophobicContact CD1-CD1 4.11Å; I151-F171 HydrophobicContact CD1-CG 4.5Å; I151-F171 HydrophobicContact CG1-CB 3.87Å; I151-F171 HydrophobicContact CG1-CG 4.47Å; F171-L173 HydrophobicContact CD2-CD2 4.32Å; F171-L173 HydrophobicContact CE2-CD2 3.98Å; F171-L173 HydrophobicContact CE2-CG 4.26Å; F171-V198 HydrophobicContact CE2-CG1 4.36Å; F171-V198 HydrophobicContact CZ-CG1 4.02Å; F171-V256 HydrophobicContact CZ-CG1 4.43Å; F171-V256 HydrophobicContact CZ-CG2 3.98Å; F171-N264 HydrophobicContact CD1-CB 3.9Å; F171-N264 HydrophobicContact CD2-CB 4.25Å; F171-N264 HydrophobicContact CE1-CB 3.45Å; F171-N264 VanDerWaalsContact CE1-CB 3.45Å; F171-N264 HydrophobicContact CE2-CB 3.85Å; F171-N264 HydrophobicContact CG-CB 4.28Å; F171-N264 HydrophobicContact CZ-CB 3.44Å; F171-N264 VanDerWaalsContact CZ-CB 3.44Å; F171-N264 PolarHBondContact N-O 3.2Å; F171-N264 PolarHBondContact O-N 2.88Å; F171-I266 HydrophobicContact CD1-CD1 4.33Å; F171-I266 HydrophobicContact CE1-CD1 3.89Å; F171-I266 HydrophobicContact CE1-CG1 4.08Å; F171-V282 HydrophobicContact CE1-CG1 4.44Å
172A97.8Very high94.3Very high65 Ų6566.8 Ų66.854%0.53735%0.349SS..  trans-113.7156.3172.100000109.7
173L98Very high95.2Very high7 Ų764.9 Ų64.94%0.03735%0.351CS..  trans-103.9141.8172.1-65.3175.6000109.9L150 F171 Q177 V178 I181 V256 L258L150-L173 HydrophobicContact CD1-CD2 3.81Å; L150-L173 HydrophobicContact CD2-CD2 4.14Å; F171-L173 HydrophobicContact CD2-CD2 4.32Å; F171-L173 HydrophobicContact CE2-CD2 3.98Å; F171-L173 HydrophobicContact CE2-CG 4.26Å; L173-Q177 VanDerWaalsContact CA-OE1 3.3Å; L173-Q177 HydrophobicContact CD2-CB 4.36Å; L173-V178 HydrophobicContact CB-CG2 3.68Å; L173-V178 HydrophobicContact CD1-CG2 4.03Å; L173-I181 HydrophobicContact CD1-CD1 4.09Å; L173-V256 HydrophobicContact CD1-CG1 3.82Å; L173-L258 HydrophobicContact CD1-CD2 4.08Å
174T97.9Very high95.7Very high61 Ų6155.2 Ų55.237%0.37432%0.316SS..  trans-78.5159.7171.178.10000110.8Q176 Q177 V178T174-Q176 PolarHBondContact O-N 2.99Å; T174-Q177 PolarHBondContact O-N 2.67Å; T174-Q177 VanDerWaalsContact O-N 3.11Å; T174-Q177 VanDerWaalsContact OG1-CG 3.28Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q177 PolarHBondContact OG1-N 3.5Å; T174-V178 PolarHBondContact O-N 2.83Å
175P97.9Very high95.8Very high94 Ų9454.6 Ų54.661%0.6132%0.316SS*.Hα-helixtrans-54.3-39.9175.9-23.531.2000113V178 Q179 T260P175-V178 PolarHBondContact O-N 3.13Å; P175-Q179 WeakPolarHBondContact O-CB 3.28Å; P175-Q179 PolarHBondContact O-N 3.24Å; P175-T260 HydrophobicContact CB-CG2 4.17Å; P175-T260 HydrophobicContact CG-CG2 3.9Å
176Q98Very high95.3Very high130 Ų13056.8 Ų56.861%0.60733%0.33SS*.Hα-helixtrans-64.4-43.5177.4-175.3178.92.500111.9T174 Q179 Q180T174-Q176 PolarHBondContact O-N 2.99Å; Q176-Q179 PolarHBondContact O-N 3.13Å; Q176-Q180 WeakPolarHBondContact O-CB 3.48Å; Q176-Q180 VanDerWaalsContact O-CG 3.3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 3.11Å
177Q98Very high94.3Very high12 Ų1257.6 Ų57.66%0.05634%0.336CS..Hα-helixtrans-65.8-40.7178-64.7167.9-14.100111.5D148 L173 T174 Q179 Q180 I181 L284D148-Q177 PolarHBondContact OD2-NE2 3Å; L173-Q177 VanDerWaalsContact CA-OE1 3.3Å; L173-Q177 HydrophobicContact CD2-CB 4.36Å; T174-Q177 PolarHBondContact O-N 2.67Å; T174-Q177 VanDerWaalsContact O-N 3.11Å; T174-Q177 VanDerWaalsContact OG1-CG 3.28Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.47Å; T174-Q177 PolarHBondContact OG1-N 3.5Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.83Å; Q177-Q180 PolarHBondContact O-N 3.28Å; Q177-I181 WeakPolarHBondContact O-CG1 2.94Å; Q177-I181 PolarHBondContact O-N 2.93Å; Q177-L284 HydrophobicContact CB-CD2 4.02Å; Q177-L284 HydrophobicContact CG-CD2 3.72Å
178V97.4Very high93.2Very high23 Ų2362.1 Ų62.114%0.13937%0.368CS..Hα-helixtrans-60.9-42.4174171.70000111.2L173 T174 P175 S182 L258 T260L173-V178 HydrophobicContact CB-CG2 3.68Å; L173-V178 HydrophobicContact CD1-CG2 4.03Å; T174-V178 PolarHBondContact O-N 2.83Å; P175-V178 PolarHBondContact O-N 3.13Å; V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.04Å; V178-S182 PolarHBondContact O-OG 2.7Å; V178-L258 HydrophobicContact CG1-CB 4.3Å; V178-T260 HydrophobicContact CG2-CG2 3.99Å
179Q97Very high91.6Very high138 Ų13861.9 Ų61.965%0.64538%0.375SS*.Hα-helixtrans-66.8-40.5175.9-172.3-17910.200112.1P175 Q176 Q177 S183P175-Q179 WeakPolarHBondContact O-CB 3.28Å; P175-Q179 PolarHBondContact O-N 3.24Å; Q176-Q179 PolarHBondContact O-N 3.13Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-Q179 PolarHBondContact O-N 2.83Å; Q179-S183 VanDerWaalsContact O-CB 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.31Å; Q179-S183 PolarHBondContact O-N 3.09Å; Q179-S183 PolarHBondContact O-OG 3.04Å
180Q96.9Very high89.9Confident68 Ų6868.7 Ų68.732%0.31842%0.418SS..Hα-helixtrans-63.6-44.1176.8-77.8174.9-46.200112Q176 Q177 S184 V196Q176-Q180 WeakPolarHBondContact O-CB 3.48Å; Q176-Q180 VanDerWaalsContact O-CG 3.3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 3.28Å; Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.44Å; Q180-S184 PolarHBondContact O-N 3.25Å; Q180-S184 PolarHBondContact O-OG 3.3Å; Q180-V196 HydrophobicContact CB-CG1 4.41Å
181I96.9Very high88.5Confident0 Ų072.9 Ų72.90%042%0.424CS..Hα-helixtrans-64.5-54.5175.8-63161.8000109.5L173 Q177 S183 S184 F194 V196 V198 T253 L258 L284L173-I181 HydrophobicContact CD1-CD1 4.09Å; Q177-I181 WeakPolarHBondContact O-CG1 2.94Å; Q177-I181 PolarHBondContact O-N 2.93Å; I181-S183 VanDerWaalsContact C-N 3.31Å; I181-S183 PolarHBondContact O-N 2.68Å; I181-S184 WeakPolarHBondContact O-CB 3.28Å; I181-S184 PolarHBondContact O-N 2.91Å; I181-S184 PolarHBondContact O-OG 2.85Å; I181-F194 HydrophobicContact CG2-CD1 4.22Å; I181-F194 HydrophobicContact CG2-CG 4.3Å; I181-F194 VanDerWaalsContact O-CD1 3.24Å; I181-F194 WeakPolarHBondContact O-CD1 3.34Å; I181-V196 HydrophobicContact CG1-CG1 3.99Å; I181-V198 HydrophobicContact CD1-CG2 3.9Å; I181-T253 HydrophobicContact CG2-CG2 3.75Å; I181-L258 HydrophobicContact CB-CD2 4.13Å; I181-L258 HydrophobicContact CD1-CD2 3.74Å; I181-L258 HydrophobicContact CG2-CD1 3.9Å; I181-L258 HydrophobicContact CG2-CD2 3.74Å; I181-L284 HydrophobicContact CD1-CD1 3.83Å; I181-L284 HydrophobicContact CG1-CD1 3.82Å
182S94.5Very high87Confident58 Ų5876 Ų7641%0.40645%0.446SS..Hα-helixtrans-60.6-36-174.2-54.10000113.6V178 S184V178-S182 VanDerWaalsContact O-CB 3.3Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 3.04Å; V178-S182 PolarHBondContact O-OG 2.7Å; S182-S184 VanDerWaalsContact C-N 3.33Å
183S94.4Very high86.4Confident94 Ų9477.1 Ų77.166%0.65744%0.443SS*.Hα-helixtrans-81.6-8.317861.30000114.3Q179 I181Q179-S183 VanDerWaalsContact O-CB 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.31Å; Q179-S183 PolarHBondContact O-N 3.09Å; Q179-S183 PolarHBondContact O-OG 3.04Å; I181-S183 VanDerWaalsContact C-N 3.31Å; I181-S183 PolarHBondContact O-N 2.68Å
184S94.7Very high86.2Confident14 Ų1479.2 Ų79.210%0.09845%0.452CS..THydrogen-bonded Turntrans-91.25.6-17777.40000115.1Q180 I181 S182 D186 T195 V196Q180-S184 VanDerWaalsContact O-CB 3.24Å; Q180-S184 WeakPolarHBondContact O-CB 3.44Å; Q180-S184 PolarHBondContact O-N 3.25Å; Q180-S184 PolarHBondContact O-OG 3.3Å; I181-S184 WeakPolarHBondContact O-CB 3.28Å; I181-S184 PolarHBondContact O-N 2.91Å; I181-S184 PolarHBondContact O-OG 2.85Å; S182-S184 VanDerWaalsContact C-N 3.33Å; S184-D186 PolarHBondContact O-N 3.34Å; S184-T195 WeakPolarHBondContact CB-OG1 3.45Å; S184-T195 PolarHBondContact O-N 3.17Å; S184-T195 PolarHBondContact O-OG1 2.83Å; S184-V196 WeakPolarHBondContact OG-CB 3.29Å; S184-V196 PolarHBondContact OG-N 3.47Å
185M88.7Confident86Confident92 Ų9278.5 Ų78.545%0.45345%0.448SS..EExtended strand (participates in β ladder)trans-63.3113.1-177-169.3172.470.300110.8I187 C192 F194M185-I187 HydrophobicContact CE-CD1 4.17Å; M185-I187 HydrophobicContact CE-CG1 4.48Å; M185-C192 WeakPolarHBondContact CG-SG 3.19Å; M185-C192 PolarHBondContact SD-SG 3.47Å; M185-F194 HydrophobicContact CB-CD1 3.86Å; M185-F194 HydrophobicContact CB-CE1 3.75Å; M185-F194 HydrophobicContact CG-CD1 4.3Å; M185-F194 HydrophobicContact CG-CE1 3.95Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; M185-F194 HydrophobicContact SD-CE1 4.24Å; M185-F194 HydrophobicContact SD-CZ 4.46Å
186D80.5Confident86Confident71 Ų7174.6 Ų74.638%0.3842%0.422SS..EExtended strand (participates in β ladder)trans-98.1122.3177.4-170.62.9000110.1S184 S188 D193 T195S184-D186 PolarHBondContact O-N 3.34Å; D186-S188 WeakPolarHBondContact OD1-CB 3.36Å; D186-S188 PolarHBondContact OD1-N 3.1Å; D186-S188 PolarHBondContact OD1-OG 2.8Å; D186-D193 PolarHBondContact N-O 3Å; D186-T195 HydrophobicContact CB-CG2 4Å
187I72Confident86Confident127 Ų12768.5 Ų68.565%0.65139%0.394SS*.  trans-98.71.8-178.3-43.7178.4000110.3M185 G189M185-I187 HydrophobicContact CE-CD1 4.17Å; M185-I187 HydrophobicContact CE-CG1 4.48Å; I187-G189 PolarHBondContact O-N 3.45Å
188S69.2Low86Confident108 Ų10868 Ų6876%0.75539%0.391SS*.SBendtrans-69-0.8-175.3-51.60000114.9D186D186-S188 WeakPolarHBondContact OD1-CB 3.36Å; D186-S188 PolarHBondContact OD1-N 3.1Å; D186-S188 PolarHBondContact OD1-OG 2.8Å
189G62.9Low86.1Confident49 Ų4967 Ų6751%0.50539%0.385SS..SBendtrans-129.6168.8-179.400000113.6I187 K191I187-G189 PolarHBondContact O-N 3.45Å; G189-K191 PolarHBondContact O-N 2.82Å; G189-K191 VanDerWaalsContact O-N 3.08Å
190T59.7Low86.1Confident156 Ų15660.5 Ų60.596%0.95735%0.354SS*.SBendtrans-68.8-2.2175.256.70000114
191K67.2Low86.2Confident153 Ų15357.8 Ų57.867%0.66534%0.341SS*.SBendtrans-126.8131.2170.7-66.5-175178.1-1770108G189 D193G189-K191 PolarHBondContact O-N 2.82Å; G189-K191 VanDerWaalsContact O-N 3.08Å; K191-D193 PolarHBondContact O-N 2.81Å
192C68.1Low86.2Confident76 Ų7657.8 Ų57.851%0.51434%0.341SS..  trans-76.9102.2172-172.10000108.2M185M185-C192 WeakPolarHBondContact CG-SG 3.19Å; M185-C192 PolarHBondContact SD-SG 3.47Å
193D84.5Confident86.3Confident89 Ų8955.1 Ų55.148%0.47632%0.322SS..EExtended strand (participates in β ladder)trans-117141.9-179.6-81.9-47.3000109.8D186 K191D186-D193 PolarHBondContact N-O 3Å; K191-D193 PolarHBondContact O-N 2.81Å
194F93Very high86.3Confident50 Ų5052.1 Ų52.122%0.21930%0.299CS..EExtended strand (participates in β ladder)trans-84.6131175.8-63.2-81.5000110I181 M185 V196 Q197 T253I181-F194 HydrophobicContact CG2-CD1 4.22Å; I181-F194 HydrophobicContact CG2-CG 4.3Å; I181-F194 VanDerWaalsContact O-CD1 3.24Å; I181-F194 WeakPolarHBondContact O-CD1 3.34Å; M185-F194 HydrophobicContact CB-CD1 3.86Å; M185-F194 HydrophobicContact CB-CE1 3.75Å; M185-F194 HydrophobicContact CG-CD1 4.3Å; M185-F194 HydrophobicContact CG-CE1 3.95Å; M185-F194 HydrophobicContact CG-CZ 4.5Å; M185-F194 HydrophobicContact SD-CE1 4.24Å; M185-F194 HydrophobicContact SD-CZ 4.46Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 WeakPolarHBondContact CB-O 3.21Å; F194-Q197 WeakPolarHBondContact O-CG 3.29Å; F194-Q197 PolarHBondContact O-NE2 3.44Å; F194-T253 HydrophobicContact CB-CG2 4.46Å; F194-T253 HydrophobicContact CD2-CG2 3.98Å; F194-T253 HydrophobicContact CG-CG2 4.39Å
195T94.9Very high86.2Confident47 Ų4752.8 Ų52.829%0.28830%0.303SS..SBendtrans-76.1-24.1173.858.40000112.2S184 D186 K286 Q287S184-T195 WeakPolarHBondContact CB-OG1 3.45Å; S184-T195 PolarHBondContact O-N 3.17Å; S184-T195 PolarHBondContact O-OG1 2.83Å; D186-T195 HydrophobicContact CB-CG2 4Å; T195-K286 CarbonylContact O-C 3.5Å; T195-K286 WeakPolarHBondContact O-CA 3.18Å; T195-Q287 PolarHBondContact O-N 3.04Å
196V97.8Very high86.3Confident12 Ų1250.2 Ų50.27%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-100.7122.5167178.20000109.2L147 Q180 I181 S184 F194 L284 V285 K286L147-V196 HydrophobicContact CD1-CG1 3.79Å; L147-V196 HydrophobicContact CD1-CG2 4.17Å; Q180-V196 HydrophobicContact CB-CG1 4.41Å; I181-V196 HydrophobicContact CG1-CG1 3.99Å; S184-V196 WeakPolarHBondContact OG-CB 3.29Å; S184-V196 PolarHBondContact OG-N 3.47Å; F194-V196 VanDerWaalsContact C-N 3.35Å; F194-V196 WeakPolarHBondContact CB-O 3.21Å; V196-L284 HydrophobicContact CG1-CD1 3.78Å; V196-L284 HydrophobicContact CG1-CG 4.15Å; V196-V285 CarbonylContact C-O 3.37Å; V196-V285 VanDerWaalsContact CA-O 3.31Å; V196-V285 WeakPolarHBondContact CA-O 3.23Å; V196-K286 HydrophobicContact CG2-CB 4.35Å; V196-K286 HydrophobicContact CG2-CG 4.28Å
197Q97.5Very high86.8Confident2 Ų249.1 Ų49.11%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-130.7150.1-165.5-63.3174.62.700112F194 N251 T253 V285F194-Q197 WeakPolarHBondContact O-CG 3.29Å; F194-Q197 PolarHBondContact O-NE2 3.44Å; Q197-N251 VanDerWaalsContact CD-ND2 3.27Å; Q197-N251 PolarHBondContact NE2-ND2 3.11Å; Q197-N251 PolarHBondContact OE1-ND2 3.41Å; Q197-T253 VanDerWaalsContact CA-OG1 3.27Å; Q197-T253 WeakPolarHBondContact CA-OG1 3.3Å; Q197-T253 WeakPolarHBondContact CB-OG1 3.43Å; Q197-V285 HydrophobicContact CB-CG2 4.03Å; Q197-V285 PolarHBondContact N-O 3.05Å; Q197-V285 PolarHBondContact O-N 3.06Å
198V98.3Very high87.6Confident0 Ų044 Ų440%026%0.262CS..EExtended strand (participates in β ladder)trans-88.7114.2162.9-176.90000108.4L150 F171 I181 I252 T253 V256 V282 L284L150-V198 HydrophobicContact CD1-CG1 4.01Å; L150-V198 HydrophobicContact CD1-CG2 4.21Å; F171-V198 HydrophobicContact CE2-CG1 4.36Å; F171-V198 HydrophobicContact CZ-CG1 4.02Å; I181-V198 HydrophobicContact CD1-CG2 3.9Å; V198-I252 HydrophobicContact CB-CG1 4.07Å; V198-I252 HydrophobicContact CG1-CD1 3.83Å; V198-I252 HydrophobicContact CG1-CG1 3.68Å; V198-I252 WeakPolarHBondContact O-CG1 3.36Å; V198-I252 PolarHBondContact O-N 2.81Å; V198-T253 PolarHBondContact N-OG1 3.46Å; V198-V256 HydrophobicContact CB-CG2 4.11Å; V198-V256 HydrophobicContact CG1-CG2 4.14Å; V198-V256 HydrophobicContact CG2-CG1 4.3Å; V198-V256 HydrophobicContact CG2-CG2 4.24Å; V198-V282 HydrophobicContact CG1-CG1 3.59Å; V198-L284 HydrophobicContact CG2-CD1 4.41Å
199Q98.3Very high88.6Confident4 Ų441.6 Ų41.62%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-111.2117.2-174.9-173.6177.899.600110.9Y144 R201 P249 I250 V282 Y283 V285Y144-Q199 VanDerWaalsContact CD1-NE2 3.31Å; Y144-Q199 VanDerWaalsContact CE1-NE2 3.27Å; Q199-R201 HydrophobicContact CG-CG 4.15Å; Q199-P249 VanDerWaalsContact CD-CB 3.46Å; Q199-P249 HydrophobicContact CG-CB 3.72Å; Q199-I250 WeakPolarHBondContact CA-O 3.49Å; Q199-V282 WeakPolarHBondContact O-CA 3.43Å; Q199-Y283 PolarHBondContact N-O 3.37Å; Q199-Y283 PolarHBondContact O-N 2.96Å; Q199-V285 HydrophobicContact CB-CG1 4.16Å; Q199-V285 HydrophobicContact CB-CG2 3.73Å
200L98.4Very high90.1Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-89131.6171.7168.861.1000109.8F202 V221 I250 I252 M280 V282L200-F202 HydrophobicContact CD1-CE2 3.97Å; L200-F202 HydrophobicContact CD1-CZ 3.93Å; L200-F202 HydrophobicContact CD2-CE2 3.75Å; L200-F202 HydrophobicContact CD2-CZ 3.98Å; L200-F202 HydrophobicContact CG-CD2 4.44Å; L200-F202 HydrophobicContact CG-CE2 3.76Å; L200-F202 HydrophobicContact CG-CZ 4.15Å; L200-V221 HydrophobicContact CD2-CG1 3.75Å; L200-V221 HydrophobicContact CD2-CG2 4.33Å; L200-I250 HydrophobicContact CB-CB 4.27Å; L200-I250 HydrophobicContact CD2-CD1 4.13Å; L200-I250 HydrophobicContact CG-CD1 4.24Å; L200-I250 PolarHBondContact N-O 2.94Å; L200-I250 PolarHBondContact O-N 3.48Å; L200-I252 HydrophobicContact CB-CD1 4.21Å; L200-I252 HydrophobicContact CB-CG1 4.41Å; L200-I252 HydrophobicContact CB-CG2 3.93Å; L200-I252 HydrophobicContact CD2-CG2 4.22Å; L200-M280 HydrophobicContact CD1-CE 3.38Å; L200-M280 HydrophobicContact CD1-CG 3.71Å; L200-M280 HydrophobicContact CD1-SD 4.35Å; L200-M280 HydrophobicContact CD2-CE 4.45Å; L200-V282 HydrophobicContact CD1-CG2 4.08Å
201R98.2Very high91.8Very high12 Ų1236.4 Ų36.45%0.04520%0.203CC..EExtended strand (participates in β ladder)trans-130.7150.2176.1-60.4-17570.9-173.12.8111.4L138 Q139 Q199 D213 P249 M280 A281 Y283L138-R201 HydrophobicContact CD2-CB 3.47Å; L138-R201 VanDerWaalsContact CD2-CB 3.47Å; L138-R201 HydrophobicContact CD2-CG 4.33Å; Q139-R201 PolarHBondContact O-NH1 3.35Å; Q139-R201 PolarHBondContact O-NH2 2.81Å; Q199-R201 HydrophobicContact CG-CG 4.15Å; R201-D213 IonicContact CZ-OD1 2.94Å; R201-D213 IonicContact CZ-OD2 2.65Å; R201-D213 IonicContact NE-OD1 3.78Å; R201-D213 PolarHBondContact NE-OD1 3.38Å; R201-D213 IonicContact NE-OD2 2.74Å; R201-D213 PolarHBondContact NE-OD2 3.06Å; R201-D213 IonicContact NH2-OD1 2.8Å; R201-D213 IonicContact NH2-OD2 3.25Å; R201-D213 PolarHBondContact NH2-OD2 3.25Å; R201-P249 HydrophobicContact CG-CB 4.14Å; R201-M280 WeakPolarHBondContact O-CA 3.07Å; R201-A281 PolarHBondContact N-O 3.03Å; R201-A281 PolarHBondContact O-N 2.95Å; R201-Y283 HydrophobicContact CG-CD2 4.37Å
202F97.5Very high93.1Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-127.3146.1174.6-66.2-80.9000109.6L156 L200 D213 H214 F215 L219 V221 I250 V268 S279 M280L156-F202 HydrophobicContact CD1-CD1 4.09Å; L156-F202 HydrophobicContact CD1-CE1 4.1Å; L200-F202 HydrophobicContact CD1-CE2 3.97Å; L200-F202 HydrophobicContact CD1-CZ 3.93Å; L200-F202 HydrophobicContact CD2-CE2 3.75Å; L200-F202 HydrophobicContact CD2-CZ 3.98Å; L200-F202 HydrophobicContact CG-CD2 4.44Å; L200-F202 HydrophobicContact CG-CE2 3.76Å; L200-F202 HydrophobicContact CG-CZ 4.15Å; F202-D213 CarbonylContact O-C 3.58Å; F202-D213 VanDerWaalsContact O-CA 3.28Å; F202-D213 WeakPolarHBondContact O-CA 3.35Å; F202-H214 CarbonylContact C-O 3.59Å; F202-H214 WeakPolarHBondContact CB-O 3.39Å; F202-H214 PolarHBondContact O-N 2.65Å; F202-F215 HydrophobicContact CB-CD1 4.21Å; F202-F215 AromaticContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CE1 4.12Å; F202-F215 HydrophobicContact CG-CD1 4.43Å; F202-L219 HydrophobicContact CD2-CD2 3.85Å; F202-L219 HydrophobicContact CE1-CD1 4.29Å; F202-L219 HydrophobicContact CE2-CD1 4.19Å; F202-L219 HydrophobicContact CE2-CD2 3.76Å; F202-L219 HydrophobicContact CZ-CD1 3.96Å; F202-L219 HydrophobicContact CZ-CD2 4.37Å; F202-V221 HydrophobicContact CE2-CG2 4Å; F202-V221 HydrophobicContact CZ-CG2 3.89Å; F202-I250 HydrophobicContact CD2-CD1 4.08Å; F202-I250 HydrophobicContact CE2-CD1 3.83Å; F202-V268 HydrophobicContact CE1-CG1 3.78Å; F202-V268 HydrophobicContact CE1-CG2 4.11Å; F202-V268 HydrophobicContact CZ-CG1 3.92Å; F202-V268 HydrophobicContact CZ-CG2 3.92Å; F202-S279 CarbonylContact C-O 3.59Å; F202-S279 VanDerWaalsContact CA-O 3.32Å; F202-S279 WeakPolarHBondContact CA-O 3.18Å; F202-M280 HydrophobicContact CD1-CB 4.02Å; F202-M280 HydrophobicContact CD1-CG 4.22Å; F202-M280 HydrophobicContact CE1-CB 3.9Å; F202-M280 HydrophobicContact CE1-CG 3.74Å; F202-M280 HydrophobicContact CE1-SD 4.18Å; F202-M280 HydrophobicContact CZ-CG 4.32Å
203C96.6Very high94.4Very high1 Ų132.4 Ų32.41%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-146.7171.917758.30000111.3L138 Q211 Y278 S279L138-C203 HydrophobicContact CD2-CB 4.16Å; L138-C203 HydrophobicContact CG-CB 4.16Å; C203-Q211 HydrophobicContact CB-CB 3.66Å; C203-Q211 HydrophobicContact CB-CG 4.37Å; C203-Y278 CarbonylContact O-C 3.55Å; C203-Y278 VanDerWaalsContact O-CA 3.31Å; C203-Y278 WeakPolarHBondContact O-CA 3.06Å; C203-S279 PolarHBondContact N-O 3.35Å; C203-S279 PolarHBondContact O-N 3.09Å
204L94.4Very high94.9Very high32 Ų3230.2 Ų30.217%0.16817%0.167CC..EExtended strand (participates in β ladder)trans-73.1146.3164.2-65.7172.1000109.6E206 Q211 H214 Y278L204-E206 HydrophobicContact CB-CG 3.84Å; L204-E206 PolarHBondContact O-N 2.84Å; L204-Q211 WeakPolarHBondContact O-CG 3.48Å; L204-H214 HydrophobicContact CG-CB 4.19Å; L204-Y278 HydrophobicContact CD2-CD1 3.94Å; L204-Y278 HydrophobicContact CD2-CE1 3.53Å
205S92.4Very high95.1Very high27 Ų2728.5 Ų28.519%0.18916%0.159CC..  trans-79.752175.9-46.60000112.6N277 Y278 S279S205-N277 PolarHBondContact N-O 3.5Å; S205-N277 VanDerWaalsContact OG-C 3.3Å; S205-N277 PolarHBondContact OG-O 3.31Å; S205-Y278 WeakPolarHBondContact OG-CA 3.49Å; S205-Y278 PolarHBondContact OG-N 2.96Å; S205-Y278 PolarHBondContact OG-O 2.7Å; S205-S279 PolarHBondContact OG-N 3.34Å; S205-S279 PolarHBondContact OG-OG 2.96Å
206E90.7Very high95Very high38 Ų3826.5 Ų26.518%0.17815%0.148CC..  trans-99.2144.1171.9-29.1-151.7142.200111K56 R63 L204 Q211K56-E206 IonicContact NZ-OE2 2.73Å; K56-E206 PolarHBondContact NZ-OE2 2.85Å; R63-E206 IonicContact CZ-OE1 3.42Å; R63-E206 IonicContact NH1-OE1 2.73Å; R63-E206 PolarHBondContact NH1-OE1 3.34Å; R63-E206 IonicContact NH2-OE1 3.96Å; R63-E206 PolarHBondContact NH2-OE1 3.06Å; R63-E206 IonicContact NH2-OE2 3.54Å; L204-E206 HydrophobicContact CB-CG 3.84Å; L204-E206 PolarHBondContact O-N 2.84Å; E206-Q211 PolarHBondContact O-NE2 3.3Å
207T91Very high94.8Very high49 Ų4927.4 Ų27.430%0.30115%0.154SC..  trans-115.91.5-177.556.60000113.8D135 I136 C209D135-T207 HydrophobicContact CB-CG2 3.72Å; I136-T207 HydrophobicContact CG1-CG2 3.77Å; T207-C209 VanDerWaalsContact C-N 3.3Å; T207-C209 PolarHBondContact O-N 3.32Å
208S89.7Confident94.5Very high20 Ų2031.2 Ų31.214%0.1417%0.174CC..SBendtrans-71.8-18.7178.253.50000115Y25 K56 E59Y25-S208 PolarHBondContact OH-O 2.94Å; K56-S208 PolarHBondContact NZ-OG 3.35Å; E59-S208 WeakPolarHBondContact OE2-CB 3.45Å; E59-S208 PolarHBondContact OE2-OG 2.7Å
209C90.3Very high94.3Very high56 Ų5631.6 Ų31.638%0.37818%0.176SC..SBendtrans-160.5163.1-178.652.20000110.5T207 Q211T207-C209 VanDerWaalsContact C-N 3.3Å; T207-C209 PolarHBondContact O-N 3.32Å; C209-Q211 PolarHBondContact O-N 3.43Å; C209-Q211 PolarHBondContact O-NE2 2.76Å; C209-Q211 PolarHBondContact SG-NE2 2.87Å
210P92.9Very high94.2Very high83 Ų8333.9 Ų33.954%0.53919%0.192SC..PPolyproline II helixtrans-57.4133.7166.1-22.334.1000111K137 Q139K137-P210 CarbonylContact O-C 3.55Å; K137-P210 VanDerWaalsContact O-CA 3.26Å; K137-P210 WeakPolarHBondContact O-CA 3.47Å; Q139-P210 HydrophobicContact CB-CB 4.43Å
211Q95.5Very high94.2Very high13 Ų1334 Ų346%0.06119%0.192CC..BIsolated β-bridgetrans-91.8132.7-171.9-60.5-62.2-65.300112.4K137 L138 Q139 C203 L204 E206 C209K137-Q211 PolarHBondContact O-N 2.98Å; L138-Q211 CarbonylContact C-O 3.46Å; L138-Q211 WeakPolarHBondContact CA-O 3.48Å; Q139-Q211 PolarHBondContact N-O 2.97Å; C203-Q211 HydrophobicContact CB-CB 3.66Å; C203-Q211 HydrophobicContact CB-CG 4.37Å; L204-Q211 WeakPolarHBondContact O-CG 3.48Å; E206-Q211 PolarHBondContact O-NE2 3.3Å; C209-Q211 PolarHBondContact O-N 3.43Å; C209-Q211 PolarHBondContact O-NE2 2.76Å; C209-Q211 PolarHBondContact SG-NE2 2.87Å
212E94.8Very high94.2Very high123 Ų12337.2 Ų37.258%0.57521%0.207SC*.PPolyproline II helixtrans-64.7157.6163.8-77.5-176.7165.500110.6H214E212-H214 PolarHBondContact O-N 3.25Å
213D96.5Very high94.2Very high23 Ų2337.2 Ų37.212%0.12321%0.207CC..PPolyproline II helixtrans-60.6127.1172.6-66.2-88.2000110.1R201 F202 S247R201-D213 IonicContact CZ-OD1 2.94Å; R201-D213 IonicContact CZ-OD2 2.65Å; R201-D213 IonicContact NE-OD1 3.78Å; R201-D213 PolarHBondContact NE-OD1 3.38Å; R201-D213 IonicContact NE-OD2 2.74Å; R201-D213 PolarHBondContact NE-OD2 3.06Å; R201-D213 IonicContact NH2-OD1 2.8Å; R201-D213 IonicContact NH2-OD2 3.25Å; R201-D213 PolarHBondContact NH2-OD2 3.25Å; F202-D213 CarbonylContact O-C 3.58Å; F202-D213 VanDerWaalsContact O-CA 3.28Å; F202-D213 WeakPolarHBondContact O-CA 3.35Å; D213-S247 WeakPolarHBondContact O-CB 3.39Å
214H95.4Very high94.3Very high43 Ų4337.6 Ų37.620%0.19921%0.209CC..  trans-140.1110.9177.1-162-44.5000110.7F202 L204 E212 S247 Y278F202-H214 CarbonylContact C-O 3.59Å; F202-H214 WeakPolarHBondContact CB-O 3.39Å; F202-H214 PolarHBondContact O-N 2.65Å; L204-H214 HydrophobicContact CG-CB 4.19Å; E212-H214 PolarHBondContact O-N 3.25Å; H214-S247 WeakPolarHBondContact CA-OG 3.39Å; H214-Y278 AromaticContact ND1-CE1 3.87Å
215F95.8Very high94.4Very high13 Ų1341.8 Ų41.86%0.05724%0.236CC..PPolyproline II helixtrans-69.8140.9172.7-63.1-29.5000111.5F202 L219 P231 R245 P246 S247 R248 I250F202-F215 HydrophobicContact CB-CD1 4.21Å; F202-F215 AromaticContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CD1 3.9Å; F202-F215 HydrophobicContact CD2-CE1 4.12Å; F202-F215 HydrophobicContact CG-CD1 4.43Å; F215-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CD1-CD2 3.56Å; F215-L219 HydrophobicContact CD2-CD2 4.43Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 HydrophobicContact CG-CD2 3.7Å; F215-P231 HydrophobicContact CE2-CG 4.08Å; F215-P231 HydrophobicContact CZ-CG 4.21Å; F215-R245 HydrophobicContact CD2-CB 4.47Å; F215-R245 HydrophobicContact CD2-CG 3.84Å; F215-R245 HydrophobicContact CE2-CG 3.83Å; F215-P246 WeakPolarHBondContact CE2-O 3.32Å; F215-S247 PolarHBondContact N-OG 3.42Å; F215-S247 VanDerWaalsContact N-OG 3.15Å; F215-R248 WeakPolarHBondContact CE1-O 3.43Å; F215-R248 WeakPolarHBondContact CZ-O 3.35Å; F215-I250 HydrophobicContact CE1-CD1 3.73Å; F215-I250 HydrophobicContact CE1-CG1 4.05Å; F215-I250 HydrophobicContact CZ-CD1 4.06Å; F215-I250 HydrophobicContact CZ-CG1 4.03Å
216P94.4Very high94.7Very high6 Ų646.5 Ų46.54%0.03925%0.253CS..PPolyproline II helixtrans-58.8156.5160.1-2333.3000112.3L156 L219 W270 Y278L156-P216 HydrophobicContact CD1-CG 3.75Å; P216-L219 HydrophobicContact CG-CD1 4.37Å; P216-L219 WeakPolarHBondContact O-CB 3.5Å; P216-W270 HydrophobicContact CB-CB 3.6Å; P216-W270 HydrophobicContact CB-CG 3.81Å; P216-W270 HydrophobicContact CG-CB 4.36Å; P216-W270 HydrophobicContact CG-CG 4.38Å; P216-Y278 HydrophobicContact CB-CD1 4.23Å; P216-Y278 HydrophobicContact CB-CD2 4.24Å; P216-Y278 HydrophobicContact CB-CE1 4.43Å; P216-Y278 HydrophobicContact CB-CE2 4.45Å; P216-Y278 HydrophobicContact CB-CG 4.14Å; P216-Y278 HydrophobicContact CG-CD1 3.86Å; P216-Y278 HydrophobicContact CG-CD2 4.31Å; P216-Y278 HydrophobicContact CG-CE1 4.49Å; P216-Y278 HydrophobicContact CG-CG 3.76Å
217P91.6Very high95Very high31 Ų3149.4 Ų49.420%0.20128%0.275CS..THydrogen-bonded Turntrans-63.9144.8172-1831.2000111.6L219 T271 E273P217-L219 PolarHBondContact O-N 2.99Å; P217-L219 VanDerWaalsContact O-N 3.11Å; P217-T271 PolarHBondContact O-N 2.97Å; P217-E273 HydrophobicContact CG-CG 3.87Å; P217-E273 WeakPolarHBondContact CG-OE1 3.5Å
218N91.8Very high95.2Very high82 Ų8247.8 Ų47.844%0.43927%0.266SS..THydrogen-bonded Turntrans51.831-178.6-57.2-39000114.1C220 T271N218-C220 PolarHBondContact O-N 3.27Å; N218-T271 WeakPolarHBondContact CB-OG1 3.4Å; N218-T271 PolarHBondContact ND2-OG1 3.44Å
219L95.5Very high95.3Very high7 Ų752.3 Ų52.34%0.03730%0.297CS..  trans-55.8123.9178.6178.967.6000111.2F202 F215 P216 P217 V221 L230 R245 V268 S269F202-L219 HydrophobicContact CD2-CD2 3.85Å; F202-L219 HydrophobicContact CE1-CD1 4.29Å; F202-L219 HydrophobicContact CE2-CD1 4.19Å; F202-L219 HydrophobicContact CE2-CD2 3.76Å; F202-L219 HydrophobicContact CZ-CD1 3.96Å; F202-L219 HydrophobicContact CZ-CD2 4.37Å; F215-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CD1-CD2 3.56Å; F215-L219 HydrophobicContact CD2-CD2 4.43Å; F215-L219 HydrophobicContact CE1-CD2 4.2Å; F215-L219 HydrophobicContact CG-CD2 3.7Å; P216-L219 HydrophobicContact CG-CD1 4.37Å; P216-L219 WeakPolarHBondContact O-CB 3.5Å; P217-L219 PolarHBondContact O-N 2.99Å; P217-L219 VanDerWaalsContact O-N 3.11Å; L219-V221 HydrophobicContact CD1-CG2 3.85Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 4.05Å; L219-L230 HydrophobicContact CB-CD1 4.38Å; L219-L230 HydrophobicContact CD2-CD1 4.11Å; L219-L230 HydrophobicContact CD2-CD2 4.44Å; L219-L230 HydrophobicContact CG-CD1 3.95Å; L219-L230 WeakPolarHBondContact O-CD1 3.42Å; L219-R245 PolarHBondContact O-NH1 2.77Å; L219-R245 VanDerWaalsContact O-NH1 3.14Å; L219-V268 HydrophobicContact CD1-CG1 3.68Å; L219-S269 WeakPolarHBondContact CA-O 3.48Å
220C95.7Very high95.5Very high52 Ų5251.1 Ų51.135%0.35129%0.287SS..EExtended strand (participates in β ladder)trans-122.3141.2166.1-175.90000108.2N218 S269N218-C220 PolarHBondContact O-N 3.27Å; C220-S269 PolarHBondContact N-O 3.13Å; C220-S269 PolarHBondContact O-N 3.15Å
221V97.9Very high95.3Very high2 Ų248.8 Ų48.81%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-135135178.7178.40000108.7L200 F202 L219 V223 C228 L230 I266 V267L200-V221 HydrophobicContact CD2-CG1 3.75Å; L200-V221 HydrophobicContact CD2-CG2 4.33Å; F202-V221 HydrophobicContact CE2-CG2 4Å; F202-V221 HydrophobicContact CZ-CG2 3.89Å; L219-V221 HydrophobicContact CD1-CG2 3.85Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 4.05Å; V221-V223 HydrophobicContact CG1-CG2 4.21Å; V221-C228 HydrophobicContact CB-CB 3.96Å; V221-C228 HydrophobicContact CG1-CB 3.93Å; V221-C228 WeakPolarHBondContact O-CB 3.24Å; V221-C228 PolarHBondContact O-N 3.06Å; V221-L230 HydrophobicContact CG2-CD2 4.37Å; V221-I266 HydrophobicContact CG1-CG2 3.76Å; V221-V267 CarbonylContact C-O 3.45Å; V221-V267 WeakPolarHBondContact CA-O 3.43Å
222K98.2Very high95Very high81 Ų8150.9 Ų50.935%0.35230%0.297SS..EExtended strand (participates in β ladder)trans-122.2133.7168.9-58.1170-174.1163.30108.8K226 I266 V267K222-K226 CarbonylContact C-O 3.45Å; K222-K226 WeakPolarHBondContact CA-O 3.41Å; K222-I266 CarbonylContact O-C 3.45Å; K222-I266 WeakPolarHBondContact O-CA 3.47Å; K222-V267 HydrophobicContact CB-CB 4.35Å; K222-V267 PolarHBondContact N-O 2.9Å; K222-V267 PolarHBondContact O-N 3.35Å
223V98.4Very high94.6Very high0 Ų050.8 Ų50.80%029%0.292CS..EExtended strand (participates in β ladder)trans-117.6122.9175.7-179.70000107.6V221 T225 K226 I252 L255 V256 T265 I266V221-V223 HydrophobicContact CG1-CG2 4.21Å; V223-T225 VanDerWaalsContact C-N 3.31Å; V223-T225 PolarHBondContact O-N 2.74Å; V223-K226 PolarHBondContact N-O 2.81Å; V223-K226 PolarHBondContact O-N 3.47Å; V223-I252 HydrophobicContact CG1-CD1 4.42Å; V223-I252 HydrophobicContact CG2-CB 4.21Å; V223-I252 HydrophobicContact CG2-CD1 4.12Å; V223-I252 HydrophobicContact CG2-CG2 4.14Å; V223-L255 HydrophobicContact CB-CB 3.73Å; V223-L255 HydrophobicContact CB-CD1 4.06Å; V223-L255 HydrophobicContact CG1-CB 3.79Å; V223-L255 HydrophobicContact CG2-CD1 4.31Å; V223-V256 HydrophobicContact CG1-CG2 4.38Å; V223-T265 CarbonylContact C-O 3.51Å; V223-T265 WeakPolarHBondContact CA-O 3.39Å; V223-I266 HydrophobicContact CG2-CG1 4.29Å; V223-I266 HydrophobicContact CG2-CG2 4.2Å
224N97.9Very high93.9Very high9 Ų954.5 Ų54.55%0.04831%0.311CS..THydrogen-bonded Turntrans47.752.3-174.4-62.2-51000112.5K226 L255 R257 N264 T265N224-K226 PolarHBondContact O-N 3.08Å; N224-L255 PolarHBondContact ND2-O 3.28Å; N224-R257 PolarHBondContact OD1-NH1 3.2Å; N224-N264 PolarHBondContact ND2-OD1 2.8Å; N224-N264 WeakPolarHBondContact OD1-CA 3.35Å; N224-T265 PolarHBondContact N-O 2.94Å; N224-T265 PolarHBondContact OD1-N 2.93Å
225T96.4Very high93.1Very high120 Ų12057.6 Ų57.674%0.73634%0.335SS*.THydrogen-bonded Turntrans63.2-17.3-172.676.30000117.2V223V223-T225 VanDerWaalsContact C-N 3.31Å; V223-T225 PolarHBondContact O-N 2.74Å
226K97.9Very high92.1Very high125 Ų12560.8 Ų60.854%0.54336%0.357SS..EExtended strand (participates in β ladder)trans-77.5135.2178.2-62.8-177.7179.7-178.20111.5K222 V223 N224 L255K222-K226 CarbonylContact C-O 3.45Å; K222-K226 WeakPolarHBondContact CA-O 3.41Å; V223-K226 PolarHBondContact N-O 2.81Å; V223-K226 PolarHBondContact O-N 3.47Å; N224-K226 PolarHBondContact O-N 3.08Å; K226-L255 HydrophobicContact CB-CD2 4.07Å; K226-L255 HydrophobicContact CD-CD2 4.18Å
227P96.9Very high91.3Very high99 Ų9966.6 Ų66.664%0.64339%0.393SS*.EExtended strand (participates in β ladder)trans-65.6139.717628.3-34.3000111.1
228C95.8Very high90.6Very high16 Ų1672.5 Ų72.511%0.10842%0.415CS..PPolyproline II helixtrans-94.3129.6178.6-177.10000111.1V221 L230 I250 L255V221-C228 HydrophobicContact CB-CB 3.96Å; V221-C228 HydrophobicContact CG1-CB 3.93Å; V221-C228 WeakPolarHBondContact O-CB 3.24Å; V221-C228 PolarHBondContact O-N 3.06Å; C228-L230 PolarHBondContact O-N 3.35Å; C228-I250 VanDerWaalsContact SG-CG2 3.56Å; C228-L255 HydrophobicContact CB-CD1 3.87Å
229S93.1Very high89.7Confident115 Ų11576.8 Ų76.880%0.80444%0.439SS*.  trans-71.9107.8176.8-63.40000111.1
230L93.4Very high88.7Confident31 Ų3180.7 Ų80.716%0.16248%0.48CS..PPolyproline II helixtrans-86.9157.4174.7-59.7177.7000110.9L219 V221 C228 R245 I250L219-L230 HydrophobicContact CB-CD1 4.38Å; L219-L230 HydrophobicContact CD2-CD1 4.11Å; L219-L230 HydrophobicContact CD2-CD2 4.44Å; L219-L230 HydrophobicContact CG-CD1 3.95Å; L219-L230 WeakPolarHBondContact O-CD1 3.42Å; V221-L230 HydrophobicContact CG2-CD2 4.37Å; C228-L230 PolarHBondContact O-N 3.35Å; L230-R245 VanDerWaalsContact CD1-NH1 3.33Å; L230-I250 HydrophobicContact CD2-CD1 3.44Å; L230-I250 VanDerWaalsContact CD2-CD1 3.44Å; L230-I250 HydrophobicContact CD2-CG1 4.1Å
231P89.7Confident87.5Confident34 Ų3481.8 Ų81.822%0.22149%0.485CS..PPolyproline II helixtrans-50.5143.9174.9-28.735.3000113.1F215 R245 P246 R248F215-P231 HydrophobicContact CE2-CG 4.08Å; F215-P231 HydrophobicContact CZ-CG 4.21Å; P231-R245 HydrophobicContact CB-CG 4.2Å; P231-R245 VanDerWaalsContact O-CD 3.29Å; P231-R245 WeakPolarHBondContact O-CD 3.47Å; P231-R245 VanDerWaalsContact O-CG 3.3Å; P231-R245 WeakPolarHBondContact O-CG 3.43Å; P231-R245 PolarHBondContact O-NE 2.84Å; P231-P246 HydrophobicContact CB-CG 3.99Å; P231-R248 HydrophobicContact CG-CB 4.42Å
232G87.6Confident86.3Confident57 Ų5788.8 Ų88.859%0.58852%0.518SS*.PPolyproline II helixtrans-60.6152.5175.800000112.3P246G232-P246 WeakPolarHBondContact O-CD 3.35Å
233Y86.8Confident85Confident121 Ų12187.8 Ų87.848%0.47552%0.52SS..PPolyproline II helixtrans-66.4139.6172-73.7-86.1000110.4P243 R245Y233-P243 HydrophobicContact CD1-CB 3.82Å; Y233-P243 WeakPolarHBondContact CD1-O 3.44Å; Y233-P243 WeakPolarHBondContact CE1-O 3.39Å; Y233-P243 HydrophobicContact CG-CB 4.28Å; Y233-R245 HydrophobicContact CD1-CB 4.15Å; Y233-R245 HydrophobicContact CE1-CB 4.14Å; Y233-R245 VanDerWaalsContact CE2-NH2 3.28Å
234L80.9Confident84.2Confident100 Ų10094.2 Ų94.252%0.52455%0.547SS..PPolyproline II helixtrans-75.7145.1168.9-64.1176.4000109.5K244 P246L234-K244 PolarHBondContact N-O 3.25Å; L234-P246 HydrophobicContact CD1-CB 4.35Å; L234-P246 HydrophobicContact CG-CG 4.32Å
235P79Confident83.7Confident108 Ų10896 Ų9670%0.70155%0.554SS**PPolyproline II helixtrans-54.1141.5169.8-24.734.3000111.1T237P235-T237 PolarHBondContact O-N 3.46Å
236P76.2Confident83.4Confident80 Ų8092 Ų9252%0.51953%0.529SS..PPolyproline II helixtrans-63.5127.8177.526.9-33.8000110K238P236-K238 VanDerWaalsContact C-N 3.32Å
237T76Confident83.2Confident128 Ų12887.6 Ų87.679%0.78552%0.515SS*.SBendtrans-79.7-14.6-177.454.20000113.6P235P235-T237 PolarHBondContact O-N 3.46Å
238K77.3Confident83.1Confident155 Ų15587.3 Ų87.367%0.67450%0.501SS*.SBendtrans-149.7148.5175.3-62.1-172.2178.7-172.70109.5P236 G240 V241P236-K238 VanDerWaalsContact C-N 3.32Å; K238-G240 PolarHBondContact O-N 3.42Å; K238-V241 HydrophobicContact CB-CG2 3.97Å; K238-V241 PolarHBondContact O-N 2.85Å
239N73.3Confident83.1Confident173 Ų17388.2 Ų88.293%0.92551%0.506SS*.THydrogen-bonded Turntrans-57.3133.8175.9-62.323.1000110.3
240G73.8Confident83.3Confident89 Ų8983.1 Ų83.192%0.91847%0.47SS*.THydrogen-bonded Turntrans83.6-2.4-179.400000116K238K238-G240 PolarHBondContact O-N 3.42Å
241V72Confident83.5Confident75 Ų7584.7 Ų84.746%0.45548%0.479SS..PPolyproline II helixtrans-85.1123.4170.8-179.20000109.4K238K238-V241 HydrophobicContact CB-CG2 3.97Å; K238-V241 PolarHBondContact O-N 2.85Å
242E70.9Confident83.8Confident148 Ų14883.1 Ų83.169%0.69247%0.468SS*.PPolyproline II helixtrans-59.1134.5176.8-170.6179.3178.500111K244E242-K244 PolarHBondContact O-N 3.17Å; E242-K244 VanDerWaalsContact O-N 3.1Å
243P72.3Confident84.3Confident60 Ų6080.7 Ų80.739%0.3944%0.442SS..PPolyproline II helixtrans-56.3117.2178.7-26.135.2000111.6Y233Y233-P243 HydrophobicContact CD1-CB 3.82Å; Y233-P243 WeakPolarHBondContact CD1-O 3.44Å; Y233-P243 WeakPolarHBondContact CE1-O 3.39Å; Y233-P243 HydrophobicContact CG-CB 4.28Å
244K80.4Confident84.7Confident135 Ų13579.9 Ų79.959%0.58745%0.454SS*.PPolyproline II helixtrans-94.2123.8179-167.7169-177.4177.10110.8L234 E242L234-K244 PolarHBondContact N-O 3.25Å; E242-K244 PolarHBondContact O-N 3.17Å; E242-K244 VanDerWaalsContact O-N 3.1Å
245R88.3Confident85.4Confident47 Ų4776.8 Ų76.818%0.17744%0.438CS..PPolyproline II helixtrans-69.5133167.1-179.1176.1-74.2138.71.9109.4F215 L219 L230 P231 Y233 S247F215-R245 HydrophobicContact CD2-CB 4.47Å; F215-R245 HydrophobicContact CD2-CG 3.84Å; F215-R245 HydrophobicContact CE2-CG 3.83Å; L219-R245 PolarHBondContact O-NH1 2.77Å; L219-R245 VanDerWaalsContact O-NH1 3.14Å; L230-R245 VanDerWaalsContact CD1-NH1 3.33Å; P231-R245 HydrophobicContact CB-CG 4.2Å; P231-R245 VanDerWaalsContact O-CD 3.29Å; P231-R245 WeakPolarHBondContact O-CD 3.47Å; P231-R245 VanDerWaalsContact O-CG 3.3Å; P231-R245 WeakPolarHBondContact O-CG 3.43Å; P231-R245 PolarHBondContact O-NE 2.84Å; Y233-R245 HydrophobicContact CD1-CB 4.15Å; Y233-R245 HydrophobicContact CE1-CB 4.14Å; Y233-R245 VanDerWaalsContact CE2-NH2 3.28Å; R245-S247 PolarHBondContact O-N 3.26Å
246P90.3Very high86.3Confident35 Ų3572.3 Ų72.323%0.22741%0.408CS..PPolyproline II helixtrans-72.8116.9176.328.9-29.8000109.6F215 P231 G232 L234 R248F215-P246 WeakPolarHBondContact CE2-O 3.32Å; P231-P246 HydrophobicContact CB-CG 3.99Å; G232-P246 WeakPolarHBondContact O-CD 3.35Å; L234-P246 HydrophobicContact CD1-CB 4.35Å; L234-P246 HydrophobicContact CG-CG 4.32Å; P246-R248 PolarHBondContact O-N 3.1Å
247S94.2Very high87.3Confident33 Ų3373.6 Ų73.623%0.23140%0.403CS..PPolyproline II helixtrans-62.3125.5174.3-50.90000110.6D213 H214 F215 R245D213-S247 WeakPolarHBondContact O-CB 3.39Å; H214-S247 WeakPolarHBondContact CA-OG 3.39Å; F215-S247 PolarHBondContact N-OG 3.42Å; F215-S247 VanDerWaalsContact N-OG 3.15Å; R245-S247 PolarHBondContact O-N 3.26Å
248R93.9Very high88.3Confident94 Ų9470.3 Ų70.336%0.35538%0.38SS..  trans-151.9157.9-179-70.6-167.5173.9-155.3-4.7110.1F215 P231 P246F215-R248 WeakPolarHBondContact CE1-O 3.43Å; F215-R248 WeakPolarHBondContact CZ-O 3.35Å; P231-R248 HydrophobicContact CG-CB 4.42Å; P246-R248 PolarHBondContact O-N 3.1Å
249P96.6Very high89.1Confident35 Ų3564.7 Ų64.723%0.22736%0.36CS..  trans-55145.1163.527.8-39.1000110.9L141 Q199 R201L141-P249 HydrophobicContact CD1-CB 3.91Å; L141-P249 HydrophobicContact CD1-CG 3.7Å; Q199-P249 VanDerWaalsContact CD-CB 3.46Å; Q199-P249 HydrophobicContact CG-CB 3.72Å; R201-P249 HydrophobicContact CG-CB 4.14Å
250I96.8Very high90.2Very high8 Ų860 Ų604%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-114.7116-179-54.7157.2000108Q199 L200 F202 F215 C228 L230 I252Q199-I250 WeakPolarHBondContact CA-O 3.49Å; L200-I250 HydrophobicContact CB-CB 4.27Å; L200-I250 HydrophobicContact CD2-CD1 4.13Å; L200-I250 HydrophobicContact CG-CD1 4.24Å; L200-I250 PolarHBondContact N-O 2.94Å; L200-I250 PolarHBondContact O-N 3.48Å; F202-I250 HydrophobicContact CD2-CD1 4.08Å; F202-I250 HydrophobicContact CE2-CD1 3.83Å; F215-I250 HydrophobicContact CE1-CD1 3.73Å; F215-I250 HydrophobicContact CE1-CG1 4.05Å; F215-I250 HydrophobicContact CZ-CD1 4.06Å; F215-I250 HydrophobicContact CZ-CG1 4.03Å; C228-I250 VanDerWaalsContact SG-CG2 3.56Å; L230-I250 HydrophobicContact CD2-CD1 3.44Å; L230-I250 VanDerWaalsContact CD2-CD1 3.44Å; L230-I250 HydrophobicContact CD2-CG1 4.1Å; I250-I252 HydrophobicContact CB-CG2 4.48Å; I250-I252 HydrophobicContact CG2-CG2 3.8Å; I250-I252 PolarHBondContact O-N 2.84Å
251N96.5Very high91.2Very high64 Ų6461.3 Ų61.334%0.34233%0.329SS..EExtended strand (participates in β ladder)trans-73.7115.7169.1178.7-0.1000108.5Q197 T253Q197-N251 VanDerWaalsContact CD-ND2 3.27Å; Q197-N251 PolarHBondContact NE2-ND2 3.11Å; Q197-N251 PolarHBondContact OE1-ND2 3.41Å; N251-T253 VanDerWaalsContact OD1-CB 3.25Å; N251-T253 WeakPolarHBondContact OD1-CB 3.19Å; N251-T253 PolarHBondContact OD1-N 2.9Å; N251-T253 PolarHBondContact OD1-OG1 2.97Å
252I97.4Very high92.3Very high0 Ų060.7 Ų60.70%033%0.325CS..  trans-1084.9179.362.8165.7000113.2V198 L200 V223 I250 S254 L255 V256 I266V198-I252 HydrophobicContact CB-CG1 4.07Å; V198-I252 HydrophobicContact CG1-CD1 3.83Å; V198-I252 HydrophobicContact CG1-CG1 3.68Å; V198-I252 WeakPolarHBondContact O-CG1 3.36Å; V198-I252 PolarHBondContact O-N 2.81Å; L200-I252 HydrophobicContact CB-CD1 4.21Å; L200-I252 HydrophobicContact CB-CG1 4.41Å; L200-I252 HydrophobicContact CB-CG2 3.93Å; L200-I252 HydrophobicContact CD2-CG2 4.22Å; V223-I252 HydrophobicContact CG1-CD1 4.42Å; V223-I252 HydrophobicContact CG2-CB 4.21Å; V223-I252 HydrophobicContact CG2-CD1 4.12Å; V223-I252 HydrophobicContact CG2-CG2 4.14Å; I250-I252 HydrophobicContact CB-CG2 4.48Å; I250-I252 HydrophobicContact CG2-CG2 3.8Å; I250-I252 PolarHBondContact O-N 2.84Å; I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact O-N 3.15Å; I252-L255 PolarHBondContact O-N 2.81Å; I252-V256 HydrophobicContact CD1-CG2 4.17Å; I252-V256 HydrophobicContact CG1-CG2 4.11Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 2.93Å; I252-I266 HydrophobicContact CD1-CD1 3.79Å
253T96.6Very high93.6Very high6 Ų657 Ų574%0.03731%0.313CS..G310 helixtrans-53.1-40.3-171.4-46.90000113.2I181 F194 Q197 V198 N251 L255 V256I181-T253 HydrophobicContact CG2-CG2 3.75Å; F194-T253 HydrophobicContact CB-CG2 4.46Å; F194-T253 HydrophobicContact CD2-CG2 3.98Å; F194-T253 HydrophobicContact CG-CG2 4.39Å; Q197-T253 VanDerWaalsContact CA-OG1 3.27Å; Q197-T253 WeakPolarHBondContact CA-OG1 3.3Å; Q197-T253 WeakPolarHBondContact CB-OG1 3.43Å; V198-T253 PolarHBondContact N-OG1 3.46Å; N251-T253 VanDerWaalsContact OD1-CB 3.25Å; N251-T253 WeakPolarHBondContact OD1-CB 3.19Å; N251-T253 PolarHBondContact OD1-N 2.9Å; N251-T253 PolarHBondContact OD1-OG1 2.97Å; T253-L255 PolarHBondContact O-N 3.18Å; T253-V256 PolarHBondContact O-N 3.34Å; T253-V256 VanDerWaalsContact O-N 3.17Å
254S95.1Very high94.8Very high104 Ų10454.1 Ų54.173%0.72730%0.295SS*.G310 helixtrans-69.2-11.8178.956.50000115I252I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact O-N 3.15Å
255L96.9Very high95.7Very high36 Ų3649.7 Ų49.719%0.18828%0.279CS..G310 helixtrans-104.9-9.6175.6-53.9177.5000112.4V223 N224 K226 C228 I252 T253V223-L255 HydrophobicContact CB-CB 3.73Å; V223-L255 HydrophobicContact CB-CD1 4.06Å; V223-L255 HydrophobicContact CG1-CB 3.79Å; V223-L255 HydrophobicContact CG2-CD1 4.31Å; N224-L255 PolarHBondContact ND2-O 3.28Å; K226-L255 HydrophobicContact CB-CD2 4.07Å; K226-L255 HydrophobicContact CD-CD2 4.18Å; C228-L255 HydrophobicContact CB-CD1 3.87Å; I252-L255 PolarHBondContact O-N 2.81Å; T253-L255 PolarHBondContact O-N 3.18Å
256V97.4Very high96.2Very high13 Ų1347.4 Ų47.48%0.07927%0.271CS..SBendtrans-81.4134.6-179.7168.70000110.2F171 L173 V198 V223 I252 T253 L258 N264F171-V256 HydrophobicContact CZ-CG1 4.43Å; F171-V256 HydrophobicContact CZ-CG2 3.98Å; L173-V256 HydrophobicContact CD1-CG1 3.82Å; V198-V256 HydrophobicContact CB-CG2 4.11Å; V198-V256 HydrophobicContact CG1-CG2 4.14Å; V198-V256 HydrophobicContact CG2-CG1 4.3Å; V198-V256 HydrophobicContact CG2-CG2 4.24Å; V223-V256 HydrophobicContact CG1-CG2 4.38Å; I252-V256 HydrophobicContact CD1-CG2 4.17Å; I252-V256 HydrophobicContact CG1-CG2 4.11Å; I252-V256 WeakPolarHBondContact O-CG2 3.4Å; I252-V256 PolarHBondContact O-N 2.93Å; T253-V256 PolarHBondContact O-N 3.34Å; T253-V256 VanDerWaalsContact O-N 3.17Å; V256-L258 HydrophobicContact CG1-CD2 4.11Å; V256-L258 PolarHBondContact O-N 3.33Å; V256-N264 WeakPolarHBondContact CA-OD1 3.2Å; V256-N264 WeakPolarHBondContact CG1-OD1 3.46Å
257R97.3Very high96.5Very high108 Ų10847.1 Ų47.141%0.40827%0.268SS..  trans-73.5110.7166.6-64.5168.2-177.3148.6-2.1107.6N224 S259 P263 N264N224-R257 PolarHBondContact OD1-NH1 3.2Å; R257-S259 PolarHBondContact O-N 2.97Å; R257-P263 PolarHBondContact NH1-O 3.46Å; R257-N264 PolarHBondContact N-OD1 3.33Å; R257-N264 PolarHBondContact O-ND2 3.02Å
258L96.1Very high96.7Very high59 Ų5945.6 Ų45.631%0.30926%0.257SS..  trans-76.961.8172.3-58.4-176.8000110.2L173 V178 I181 V256L173-L258 HydrophobicContact CD1-CD2 4.08Å; V178-L258 HydrophobicContact CG1-CB 4.3Å; I181-L258 HydrophobicContact CB-CD2 4.13Å; I181-L258 HydrophobicContact CD1-CD2 3.74Å; I181-L258 HydrophobicContact CG2-CD1 3.9Å; I181-L258 HydrophobicContact CG2-CD2 3.74Å; V256-L258 HydrophobicContact CG1-CD2 4.11Å; V256-L258 PolarHBondContact O-N 3.33Å
259S95.5Very high96.7Very high36 Ų3641.2 Ų41.225%0.25224%0.241SC..  trans-134.2147-179.9179.50000110.5R257 T261R257-S259 PolarHBondContact O-N 2.97Å; S259-T261 PolarHBondContact OG-N 3.32Å; S259-T261 VanDerWaalsContact OG-N 3.13Å; S259-T261 PolarHBondContact OG-OG1 3.36Å
260T95.7Very high96.6Very high74 Ų7439.9 Ų39.945%0.45423%0.232SC..SBendtrans-92.3-14.3173.856.30000112.6P175 V178P175-T260 HydrophobicContact CB-CG2 4.17Å; P175-T260 HydrophobicContact CG-CG2 3.9Å; V178-T260 HydrophobicContact CG2-CG2 3.99Å
261T95.8Very high96.4Very high118 Ų11841.1 Ų41.172%0.72424%0.239SC*.SBendtrans-93.8-12.5-174.959.20000114S259S259-T261 PolarHBondContact OG-N 3.32Å; S259-T261 VanDerWaalsContact OG-N 3.13Å; S259-T261 PolarHBondContact OG-OG1 3.36Å
262V95.3Very high96.1Very high62 Ų6239.4 Ų39.438%0.37623%0.234SC..SBendtrans-136.2127.8-175.9-177.90000109.7
263P97.1Very high95.6Very high69 Ų6942.9 Ų42.945%0.44825%0.251SS..  trans-68.2154.4176.529.2-35000112.1R257R257-P263 PolarHBondContact NH1-O 3.46Å
264N98.6Very high95Very high0 Ų051.4 Ų51.40%029%0.294CS..EExtended strand (participates in β ladder)trans-90.5135.1168.9-76.4-81.6000109.6A170 F171 N224 V256 R257A170-N264 CarbonylContact C-O 3.57Å; A170-N264 VanDerWaalsContact CA-O 3.24Å; A170-N264 WeakPolarHBondContact CA-O 3.14Å; F171-N264 HydrophobicContact CD1-CB 3.9Å; F171-N264 HydrophobicContact CD2-CB 4.25Å; F171-N264 HydrophobicContact CE1-CB 3.45Å; F171-N264 VanDerWaalsContact CE1-CB 3.45Å; F171-N264 HydrophobicContact CE2-CB 3.85Å; F171-N264 HydrophobicContact CG-CB 4.28Å; F171-N264 HydrophobicContact CZ-CB 3.44Å; F171-N264 VanDerWaalsContact CZ-CB 3.44Å; F171-N264 PolarHBondContact N-O 3.2Å; F171-N264 PolarHBondContact O-N 2.88Å; N224-N264 PolarHBondContact ND2-OD1 2.8Å; N224-N264 WeakPolarHBondContact OD1-CA 3.35Å; V256-N264 WeakPolarHBondContact CA-OD1 3.2Å; V256-N264 WeakPolarHBondContact CG1-OD1 3.46Å; R257-N264 PolarHBondContact N-OD1 3.33Å; R257-N264 PolarHBondContact O-ND2 3.02Å
265T98.3Very high94.5Very high42 Ų4249.5 Ų49.526%0.25829%0.29SS..EExtended strand (participates in β ladder)trans-112.6141.9176.159.40000111.3F169 A170 V223 N224F169-T265 CarbonylContact O-C 3.57Å; F169-T265 WeakPolarHBondContact O-CA 3.26Å; A170-T265 HydrophobicContact CB-CG2 4.49Å; V223-T265 CarbonylContact C-O 3.51Å; V223-T265 WeakPolarHBondContact CA-O 3.39Å; N224-T265 PolarHBondContact N-O 2.94Å; N224-T265 PolarHBondContact OD1-N 2.93Å
266I98.4Very high94.1Very high0 Ų053.6 Ų53.60%030%0.304CS..EExtended strand (participates in β ladder)trans-126.5119172.5-48177.6000108.6C168 F169 F171 V221 K222 V223 I252 V268 M280 V282C168-I266 WeakPolarHBondContact CA-O 3.41Å; F169-I266 PolarHBondContact N-O 3.22Å; F169-I266 PolarHBondContact O-N 3.44Å; F171-I266 HydrophobicContact CD1-CD1 4.33Å; F171-I266 HydrophobicContact CE1-CD1 3.89Å; F171-I266 HydrophobicContact CE1-CG1 4.08Å; V221-I266 HydrophobicContact CG1-CG2 3.76Å; K222-I266 CarbonylContact O-C 3.45Å; K222-I266 WeakPolarHBondContact O-CA 3.47Å; V223-I266 HydrophobicContact CG2-CG1 4.29Å; V223-I266 HydrophobicContact CG2-CG2 4.2Å; I252-I266 HydrophobicContact CD1-CD1 3.79Å; I266-V268 HydrophobicContact CG2-CG2 4Å; I266-M280 HydrophobicContact CB-CE 3.9Å; I266-M280 HydrophobicContact CD1-CE 3.75Å; I266-M280 HydrophobicContact CG1-CE 4.44Å; I266-M280 HydrophobicContact CG2-CE 3.54Å; I266-V282 HydrophobicContact CD1-CG2 3.67Å
267V97.5Very high93.8Very high29 Ų2957.2 Ų57.218%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-99.3123.8170.2-177.50000107.9E166 C168 V221 K222E166-V267 HydrophobicContact CG-CG1 3.43Å; E166-V267 VanDerWaalsContact CG-CG1 3.43Å; C168-V267 HydrophobicContact CB-CG2 4.44Å; V221-V267 CarbonylContact C-O 3.45Å; V221-V267 WeakPolarHBondContact CA-O 3.43Å; K222-V267 HydrophobicContact CB-CB 4.35Å; K222-V267 PolarHBondContact N-O 2.9Å; K222-V267 PolarHBondContact O-N 3.35Å
268V97.2Very high93.7Very high0 Ų052.2 Ų52.20%030%0.304CS..EExtended strand (participates in β ladder)trans-114.3125.4178-178.80000108.5L156 E166 T167 F169 F202 L219 I266 W270 M280L156-V268 HydrophobicContact CD1-CG1 4.22Å; L156-V268 HydrophobicContact CD2-CG1 4.32Å; E166-V268 CarbonylContact C-O 3.57Å; E166-V268 VanDerWaalsContact CA-O 3.3Å; E166-V268 WeakPolarHBondContact CA-O 3.36Å; T167-V268 PolarHBondContact N-O 2.93Å; T167-V268 PolarHBondContact O-N 2.91Å; F169-V268 HydrophobicContact CD2-CG2 4.32Å; F169-V268 HydrophobicContact CE2-CG2 4.39Å; F202-V268 HydrophobicContact CE1-CG1 3.78Å; F202-V268 HydrophobicContact CE1-CG2 4.11Å; F202-V268 HydrophobicContact CZ-CG1 3.92Å; F202-V268 HydrophobicContact CZ-CG2 3.92Å; L219-V268 HydrophobicContact CD1-CG1 3.68Å; I266-V268 HydrophobicContact CG2-CG2 4Å; V268-W270 HydrophobicContact CG1-CE3 4.09Å; V268-M280 HydrophobicContact CG2-CE 3.53Å; V268-M280 HydrophobicContact CG2-SD 3.62Å
269S95.2Very high93.6Very high3 Ų349.4 Ų49.42%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-123137.1176.8-17.60000110.2R165 E166 L219 C220R165-S269 CarbonylContact O-C 3.55Å; R165-S269 WeakPolarHBondContact O-CA 3.39Å; R165-S269 WeakPolarHBondContact O-CB 3.47Å; E166-S269 WeakPolarHBondContact OE2-CB 3.32Å; E166-S269 PolarHBondContact OE2-OG 3.24Å; L219-S269 WeakPolarHBondContact CA-O 3.48Å; C220-S269 PolarHBondContact N-O 3.13Å; C220-S269 PolarHBondContact O-N 3.15Å
270W94.8Very high93.7Very high7 Ų747.7 Ų47.73%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-155172.5-175.574103.8000112.5L156 F164 R165 T167 P216 V268L156-W270 HydrophobicContact CB-CH2 3.7Å; L156-W270 HydrophobicContact CB-CZ2 3.61Å; L156-W270 HydrophobicContact CB-CZ3 4.25Å; L156-W270 HydrophobicContact CD1-CD2 4.29Å; L156-W270 HydrophobicContact CD1-CE3 4.33Å; L156-W270 HydrophobicContact CD2-CZ3 4.46Å; F164-W270 CarbonylContact C-O 3.58Å; F164-W270 WeakPolarHBondContact CA-O 3.48Å; R165-W270 HydrophobicContact CB-CD2 3.79Å; R165-W270 HydrophobicContact CB-CE3 3.9Å; R165-W270 HydrophobicContact CB-CH2 3.6Å; R165-W270 HydrophobicContact CB-CZ2 3.48Å; R165-W270 VanDerWaalsContact CB-CZ2 3.48Å; R165-W270 HydrophobicContact CB-CZ3 3.81Å; R165-W270 HydrophobicContact CG-CH2 4.44Å; R165-W270 HydrophobicContact CG-CZ2 3.95Å; R165-W270 PolarHBondContact N-O 3.29Å; R165-W270 PolarHBondContact O-N 2.76Å; T167-W270 VanDerWaalsContact OG1-CH2 3.27Å; T167-W270 WeakPolarHBondContact OG1-CH2 3.31Å; T167-W270 WeakPolarHBondContact OG1-CZ3 3.28Å; P216-W270 HydrophobicContact CB-CB 3.6Å; P216-W270 HydrophobicContact CB-CG 3.81Å; P216-W270 HydrophobicContact CG-CB 4.36Å; P216-W270 HydrophobicContact CG-CG 4.38Å; V268-W270 HydrophobicContact CG1-CE3 4.09Å
271T92Very high93.8Very high33 Ų3344.2 Ų44.220%0.20226%0.255CS..EExtended strand (participates in β ladder)trans-99.7125.7168.5-57.70000110.5R163 P217 N218R163-T271 WeakPolarHBondContact O-CA 3.42Å; P217-T271 PolarHBondContact O-N 2.97Å; N218-T271 WeakPolarHBondContact CB-OG1 3.4Å; N218-T271 PolarHBondContact ND2-OG1 3.44Å
272A89.6Confident93.9Very high29 Ų2938.6 Ų38.624%0.2422%0.221CC..  trans-72.3137.8178.200000111.9R163 R165R163-A272 PolarHBondContact O-N 3.34Å; R165-A272 HydrophobicContact CG-CB 4.12Å
273E86.5Confident94.1Very high72 Ų7236.1 Ų36.134%0.33621%0.205SC..BIsolated β-bridgetrans-111.4133.5175.5-87.6-177.5-174.900111.4P217 G275 R276 Y278P217-E273 HydrophobicContact CG-CG 3.87Å; P217-E273 WeakPolarHBondContact CG-OE1 3.5Å; E273-G275 PolarHBondContact O-N 2.73Å; E273-G275 VanDerWaalsContact O-N 3.14Å; E273-R276 HydrophobicContact CB-CB 4.2Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.16Å; E273-R276 IonicContact OE1-NH1 3.19Å; E273-R276 VanDerWaalsContact OE2-CD 3.28Å; E273-R276 WeakPolarHBondContact OE2-CD 3.44Å; E273-R276 IonicContact OE2-CZ 3.73Å; E273-R276 IonicContact OE2-NE 3.65Å; E273-R276 IonicContact OE2-NH1 3.49Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; E273-Y278 PolarHBondContact OE2-OH 2.98Å
274I84.6Confident94.1Very high186 Ų18632.9 Ų32.995%0.95418%0.184SC*.THydrogen-bonded Turntrans-63.1119.1179-59.1174.1000109.5
275G84.8Confident94.1Very high63 Ų6333.1 Ų33.165%0.64919%0.185SC*.THydrogen-bonded Turntrans85.44.9177.900000115.4E273E273-G275 PolarHBondContact O-N 2.73Å; E273-G275 VanDerWaalsContact O-N 3.14Å
276R88.3Confident94.1Very high123 Ų12335.7 Ų35.746%0.46419%0.193SC..BIsolated β-bridgetrans-121.6122.9169.1-64.1-163.7-174.5135.4-4.4110.9E273 Y278E273-R276 HydrophobicContact CB-CB 4.2Å; E273-R276 PolarHBondContact O-N 3.36Å; E273-R276 VanDerWaalsContact O-N 3.16Å; E273-R276 IonicContact OE1-NH1 3.19Å; E273-R276 VanDerWaalsContact OE2-CD 3.28Å; E273-R276 WeakPolarHBondContact OE2-CD 3.44Å; E273-R276 IonicContact OE2-CZ 3.73Å; E273-R276 IonicContact OE2-NE 3.65Å; E273-R276 IonicContact OE2-NH1 3.49Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; R276-Y278 HydrophobicContact CB-CE2 3.95Å
277N91.3Very high94Very high88 Ų8839.3 Ų39.347%0.47121%0.21SC..  trans-104.1149.8168.8-63.4-60.6000108.8S205S205-N277 PolarHBondContact N-O 3.5Å; S205-N277 VanDerWaalsContact OG-C 3.3Å; S205-N277 PolarHBondContact OG-O 3.31Å
278Y94.6Very high93.9Very high4 Ų438.4 Ų38.42%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-125.1149.1-177.6-62.9-89.9000110L156 C203 L204 S205 H214 P216 E273 R276L156-Y278 WeakPolarHBondContact CB-O 3.32Å; L156-Y278 PolarHBondContact N-O 3.38Å; C203-Y278 CarbonylContact O-C 3.55Å; C203-Y278 VanDerWaalsContact O-CA 3.31Å; C203-Y278 WeakPolarHBondContact O-CA 3.06Å; L204-Y278 HydrophobicContact CD2-CD1 3.94Å; L204-Y278 HydrophobicContact CD2-CE1 3.53Å; S205-Y278 WeakPolarHBondContact OG-CA 3.49Å; S205-Y278 PolarHBondContact OG-N 2.96Å; S205-Y278 PolarHBondContact OG-O 2.7Å; H214-Y278 AromaticContact ND1-CE1 3.87Å; P216-Y278 HydrophobicContact CB-CD1 4.23Å; P216-Y278 HydrophobicContact CB-CD2 4.24Å; P216-Y278 HydrophobicContact CB-CE1 4.43Å; P216-Y278 HydrophobicContact CB-CE2 4.45Å; P216-Y278 HydrophobicContact CB-CG 4.14Å; P216-Y278 HydrophobicContact CG-CD1 3.86Å; P216-Y278 HydrophobicContact CG-CD2 4.31Å; P216-Y278 HydrophobicContact CG-CE1 4.49Å; P216-Y278 HydrophobicContact CG-CG 3.76Å; E273-Y278 PolarHBondContact OE2-OH 2.98Å; R276-Y278 HydrophobicContact CB-CE2 3.95Å
279S95.5Very high93.9Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-127.3152.5176.5-68.10000111.2I136 T154 F202 C203 S205I136-S279 WeakPolarHBondContact CD1-OG 3.31Å; T154-S279 CarbonylContact O-C 3.27Å; T154-S279 WeakPolarHBondContact O-CA 3.45Å; T154-S279 WeakPolarHBondContact O-CB 3.42Å; F202-S279 CarbonylContact C-O 3.59Å; F202-S279 VanDerWaalsContact CA-O 3.32Å; F202-S279 WeakPolarHBondContact CA-O 3.18Å; C203-S279 PolarHBondContact N-O 3.35Å; C203-S279 PolarHBondContact O-N 3.09Å; S205-S279 PolarHBondContact OG-N 3.34Å; S205-S279 PolarHBondContact OG-OG 2.96Å
280M96.8Very high94Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-120.5142.9-177.8178.6-172.6-173.700109.1P153 T154 L156 F169 L200 R201 F202 I266 V268 V282P153-M280 WeakPolarHBondContact CA-O 3.44Å; T154-M280 PolarHBondContact N-O 3.46Å; T154-M280 PolarHBondContact O-N 2.9Å; L156-M280 HydrophobicContact CD2-CB 3.85Å; L156-M280 HydrophobicContact CD2-SD 4.24Å; L156-M280 HydrophobicContact CG-CB 4.37Å; F169-M280 HydrophobicContact CD1-SD 4.36Å; F169-M280 HydrophobicContact CD2-CE 3.99Å; F169-M280 HydrophobicContact CD2-SD 3.32Å; F169-M280 WeakPolarHBondContact CD2-SD 3.39Å; F169-M280 HydrophobicContact CE1-SD 4.44Å; F169-M280 HydrophobicContact CE2-SD 3.41Å; F169-M280 WeakPolarHBondContact CE2-SD 3.3Å; F169-M280 HydrophobicContact CG-CE 4.37Å; F169-M280 HydrophobicContact CG-SD 3.84Å; F169-M280 HydrophobicContact CZ-SD 4.01Å; L200-M280 HydrophobicContact CD1-CE 3.38Å; L200-M280 HydrophobicContact CD1-CG 3.71Å; L200-M280 HydrophobicContact CD1-SD 4.35Å; L200-M280 HydrophobicContact CD2-CE 4.45Å; R201-M280 WeakPolarHBondContact O-CA 3.07Å; F202-M280 HydrophobicContact CD1-CB 4.02Å; F202-M280 HydrophobicContact CD1-CG 4.22Å; F202-M280 HydrophobicContact CE1-CB 3.9Å; F202-M280 HydrophobicContact CE1-CG 3.74Å; F202-M280 HydrophobicContact CE1-SD 4.18Å; F202-M280 HydrophobicContact CZ-CG 4.32Å; I266-M280 HydrophobicContact CB-CE 3.9Å; I266-M280 HydrophobicContact CD1-CE 3.75Å; I266-M280 HydrophobicContact CG1-CE 4.44Å; I266-M280 HydrophobicContact CG2-CE 3.54Å; V268-M280 HydrophobicContact CG2-CE 3.53Å; V268-M280 HydrophobicContact CG2-SD 3.62Å; M280-V282 HydrophobicContact CE-CG2 4.37Å
281A97.5Very high94.1Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-141.2150.7170.800000110.3L138 I151 P153 R201 Y283L138-A281 HydrophobicContact CD1-CB 4.09Å; I151-A281 WeakPolarHBondContact O-CA 3.26Å; P153-A281 HydrophobicContact CG-CB 4.13Å; R201-A281 PolarHBondContact N-O 3.03Å; R201-A281 PolarHBondContact O-N 2.95Å; A281-Y283 HydrophobicContact CB-CD2 4.28Å; A281-Y283 HydrophobicContact CB-CE2 3.45Å; A281-Y283 VanDerWaalsContact CB-CE2 3.45Å
282V98.3Very high94.3Very high0 Ų045.2 Ų45.20%025%0.248CC..EExtended strand (participates in β ladder)trans-126.2125.3175.3-174.20000108.2L150 I151 F171 V198 Q199 L200 I266 M280L150-V282 HydrophobicContact CB-CB 4.36Å; L150-V282 HydrophobicContact CB-CG1 4.14Å; L150-V282 HydrophobicContact CD1-CG1 4.25Å; L150-V282 PolarHBondContact N-O 2.94Å; I151-V282 HydrophobicContact CB-CB 3.88Å; I151-V282 HydrophobicContact CB-CG2 3.99Å; I151-V282 HydrophobicContact CD1-CB 4.37Å; I151-V282 HydrophobicContact CD1-CG2 3.84Å; I151-V282 HydrophobicContact CG1-CB 4.01Å; I151-V282 HydrophobicContact CG1-CG2 4.02Å; I151-V282 PolarHBondContact N-O 3.33Å; I151-V282 PolarHBondContact O-N 3.43Å; F171-V282 HydrophobicContact CE1-CG1 4.44Å; V198-V282 HydrophobicContact CG1-CG1 3.59Å; Q199-V282 WeakPolarHBondContact O-CA 3.43Å; L200-V282 HydrophobicContact CD1-CG2 4.08Å; I266-V282 HydrophobicContact CD1-CG2 3.67Å; M280-V282 HydrophobicContact CE-CG2 4.37Å
283Y98.5Very high94.8Very high11 Ų1143.9 Ų43.94%0.04324%0.237CC..EExtended strand (participates in β ladder)trans-120.1146.2-176.3-62-72.5000110.6L138 L146 D148 E149 Q199 R201 A281L138-Y283 HydrophobicContact CD1-CE2 4.45Å; L146-Y283 HydrophobicContact CD1-CD1 3.56Å; L146-Y283 HydrophobicContact CD1-CE1 3.7Å; L146-Y283 HydrophobicContact CD1-CG 4.3Å; L146-Y283 HydrophobicContact CG-CD1 4.05Å; D148-Y283 WeakPolarHBondContact O-CA 3.37Å; E149-Y283 HydrophobicContact CB-CD1 4.35Å; E149-Y283 HydrophobicContact CB-CE1 4.31Å; E149-Y283 HydrophobicContact CG-CD1 4.02Å; E149-Y283 HydrophobicContact CG-CE1 3.79Å; Q199-Y283 PolarHBondContact N-O 3.37Å; Q199-Y283 PolarHBondContact O-N 2.96Å; R201-Y283 HydrophobicContact CG-CD2 4.37Å; A281-Y283 HydrophobicContact CB-CD2 4.28Å; A281-Y283 HydrophobicContact CB-CE2 3.45Å; A281-Y283 VanDerWaalsContact CB-CE2 3.45Å
284L98.6Very high95.3Very high1 Ų141.4 Ų41.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-88.1125.3157.7-17368.1000107.3L147 D148 L150 Q177 I181 V196 V198L147-L284 WeakPolarHBondContact CA-O 3.4Å; L147-L284 HydrophobicContact CB-CB 4.37Å; L147-L284 HydrophobicContact CB-CD2 4.22Å; L147-L284 HydrophobicContact CB-CG 4.15Å; L147-L284 WeakPolarHBondContact CB-O 3.37Å; L147-L284 HydrophobicContact CD1-CD2 4.41Å; L147-L284 HydrophobicContact CD1-CG 4.26Å; L147-L284 PolarHBondContact N-O 2.81Å; D148-L284 HydrophobicContact CB-CB 3.96Å; D148-L284 HydrophobicContact CB-CD2 4.43Å; D148-L284 PolarHBondContact N-O 2.94Å; D148-L284 VanDerWaalsContact N-O 3.17Å; D148-L284 PolarHBondContact O-N 3.47Å; L150-L284 HydrophobicContact CD1-CB 4.29Å; L150-L284 HydrophobicContact CD2-CB 4.43Å; L150-L284 HydrophobicContact CG-CB 4.26Å; Q177-L284 HydrophobicContact CB-CD2 4.02Å; Q177-L284 HydrophobicContact CG-CD2 3.72Å; I181-L284 HydrophobicContact CD1-CD1 3.83Å; I181-L284 HydrophobicContact CG1-CD1 3.82Å; V196-L284 HydrophobicContact CG1-CD1 3.78Å; V196-L284 HydrophobicContact CG1-CG 4.15Å; V198-L284 HydrophobicContact CG2-CD1 4.41Å
285V98.4Very high96Very high4 Ų438.3 Ų38.32%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-133154-175.2-59.30000111.8Y144 D145 V196 Q197 Q199Y144-V285 HydrophobicContact CD1-CB 4.19Å; Y144-V285 HydrophobicContact CD1-CG2 3.66Å; Y144-V285 HydrophobicContact CE1-CG2 4.31Å; Y144-V285 HydrophobicContact CG-CG2 4.46Å; D145-V285 CarbonylContact O-C 3.57Å; D145-V285 WeakPolarHBondContact O-CA 3.49Å; D145-V285 WeakPolarHBondContact O-CB 3.49Å; V196-V285 CarbonylContact C-O 3.37Å; V196-V285 VanDerWaalsContact CA-O 3.31Å; V196-V285 WeakPolarHBondContact CA-O 3.23Å; Q197-V285 HydrophobicContact CB-CG2 4.03Å; Q197-V285 PolarHBondContact N-O 3.05Å; Q197-V285 PolarHBondContact O-N 3.06Å; Q199-V285 HydrophobicContact CB-CG1 4.16Å; Q199-V285 HydrophobicContact CB-CG2 3.73Å
286K97.6Very high96.6Very high96 Ų9640 Ų4042%0.41720%0.195SC..EExtended strand (participates in β ladder)trans-105.9117.2165-175175.5-178.7174.50109.5Y144 D145 L147 T195 V196 L288Y144-K286 WeakPolarHBondContact CA-O 3.41Å; D145-K286 HydrophobicContact CB-CB 4.34Å; D145-K286 PolarHBondContact N-O 3.18Å; D145-K286 PolarHBondContact O-N 3.37Å; L147-K286 HydrophobicContact CD1-CB 4.21Å; L147-K286 HydrophobicContact CD2-CB 4.28Å; L147-K286 HydrophobicContact CG-CB 4.34Å; T195-K286 CarbonylContact O-C 3.5Å; T195-K286 WeakPolarHBondContact O-CA 3.18Å; V196-K286 HydrophobicContact CG2-CB 4.35Å; V196-K286 HydrophobicContact CG2-CG 4.28Å; K286-L288 HydrophobicContact CG-CD2 4.39Å
287Q96.5Very high97.1Very high76 Ų7634.2 Ų34.236%0.35517%0.173SC..EExtended strand (participates in β ladder)trans-67.5137171.1-172.6174-11.700109.8F143 Y144 T195F143-Q287 CarbonylContact O-C 3.59Å; F143-Q287 WeakPolarHBondContact O-CA 3.42Å; Y144-Q287 HydrophobicContact CD1-CB 4.08Å; Y144-Q287 HydrophobicContact CD1-CG 4.4Å; Y144-Q287 HydrophobicContact CE1-CB 3.83Å; Y144-Q287 HydrophobicContact CE1-CG 3.88Å; T195-Q287 PolarHBondContact O-N 3.04Å
288L95.9Very high97.4Very high10 Ų1036.6 Ų36.65%0.05218%0.175CC..  trans-111.5151.2-179.5-51.4-179.5000109.9F143 K286 V292F143-L288 WeakPolarHBondContact CD1-O 3.33Å; F143-L288 PolarHBondContact O-N 2.79Å; K286-L288 HydrophobicContact CG-CD2 4.39Å; L288-V292 HydrophobicContact CB-CB 4.44Å; L288-V292 HydrophobicContact CB-CG1 4.43Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-V292 HydrophobicContact CD2-CG1 4.28Å
289S95.6Very high97.6Very high47 Ų4740.5 Ų40.533%0.32921%0.209SC..  trans-89.9163.8171.465.80000112.3T291 V292 L293 E367S289-T291 PolarHBondContact O-N 3.27Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V292 VanDerWaalsContact O-N 3.11Å; S289-L293 PolarHBondContact O-N 3.27Å; S289-L293 VanDerWaalsContact O-N 3.13Å; S289-E367 WeakPolarHBondContact CA-OE1 3.45Å
290S97.3Very high97.6Very high12 Ų1245.4 Ų45.48%0.08423%0.23CC..Hα-helixtrans-53.2-3717147.50000112.9L293 L294 E367S290-L293 PolarHBondContact O-N 3.07Å; S290-L294 WeakPolarHBondContact O-CB 3.45Å; S290-L294 PolarHBondContact O-N 2.79Å; S290-E367 WeakPolarHBondContact CB-OE2 3.31Å; S290-E367 PolarHBondContact N-OE1 2.94Å; S290-E367 PolarHBondContact N-OE2 3.08Å; S290-E367 PolarHBondContact OG-OE2 3.39Å
291T97.4Very high97.6Very high82 Ų8247.2 Ų47.250%0.50325%0.249SC..Hα-helixtrans-60.8-44.5176.3-52.90000112.3S289 L294 Q295S289-T291 PolarHBondContact O-N 3.27Å; T291-L294 PolarHBondContact O-N 3Å; T291-Q295 WeakPolarHBondContact O-CG 3.36Å; T291-Q295 PolarHBondContact O-N 3.02Å
292V97.7Very high97.6Very high45 Ų4551.9 Ų51.927%0.27327%0.272SS..Hα-helixtrans-66.6-41.1178.3176.10000110.8L288 S289 L294 Q295 R296L288-V292 HydrophobicContact CB-CB 4.44Å; L288-V292 HydrophobicContact CB-CG1 4.43Å; L288-V292 HydrophobicContact CD1-CG1 4.47Å; L288-V292 HydrophobicContact CD2-CG1 4.28Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V292 VanDerWaalsContact O-N 3.11Å; V292-L294 VanDerWaalsContact C-N 3.34Å; V292-Q295 PolarHBondContact O-N 2.85Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.3Å
293L98.2Very high97.6Very high2 Ų255.7 Ų55.71%0.0129%0.287CS..Hα-helixtrans-65.9-35.7174.8-86.1162.4000112.7P142 F143 S289 S290 R296 L297 I363 Y383P142-L293 HydrophobicContact CB-CD1 4.38Å; P142-L293 HydrophobicContact CB-CD2 4.12Å; P142-L293 WeakPolarHBondContact O-CD2 3.14Å; F143-L293 HydrophobicContact CB-CD1 4.46Å; F143-L293 HydrophobicContact CD1-CD1 3.31Å; F143-L293 HydrophobicContact CD2-CD1 4.08Å; F143-L293 HydrophobicContact CE1-CD1 3.29Å; F143-L293 HydrophobicContact CE2-CD1 4.06Å; F143-L293 HydrophobicContact CG-CD1 3.7Å; F143-L293 HydrophobicContact CZ-CD1 3.65Å; S289-L293 PolarHBondContact O-N 3.27Å; S289-L293 VanDerWaalsContact O-N 3.13Å; S290-L293 PolarHBondContact O-N 3.07Å; L293-R296 PolarHBondContact O-N 3.41Å; L293-L297 WeakPolarHBondContact O-CB 3.23Å; L293-L297 PolarHBondContact O-N 3.28Å; L293-I363 HydrophobicContact CB-CD1 4.43Å; L293-I363 HydrophobicContact CB-CG2 3.84Å; L293-I363 HydrophobicContact CD1-CG2 4.32Å; L293-Y383 HydrophobicContact CB-CE2 4.26Å; L293-Y383 HydrophobicContact CD2-CD1 4.02Å; L293-Y383 HydrophobicContact CD2-CD2 3.97Å; L293-Y383 HydrophobicContact CD2-CE1 3.59Å; L293-Y383 HydrophobicContact CD2-CE2 3.54Å; L293-Y383 HydrophobicContact CD2-CG 4.2Å; L293-Y383 HydrophobicContact CG-CE2 4.5Å; L293-Y383 PolarHBondContact O-OH 3.45Å; L293-Y383 VanDerWaalsContact O-OH 3.06Å
294L98.3Very high97.6Very high20 Ų2059 Ų5911%0.10531%0.305CS..Hα-helixtrans-67.7-41176.2-166.668.4000112S290 T291 V292 L297 R298 I344 A359 T360 I363S290-L294 WeakPolarHBondContact O-CB 3.45Å; S290-L294 PolarHBondContact O-N 2.79Å; T291-L294 PolarHBondContact O-N 3Å; V292-L294 VanDerWaalsContact C-N 3.34Å; L294-L297 PolarHBondContact O-N 3.34Å; L294-R298 WeakPolarHBondContact O-CG 3.31Å; L294-R298 PolarHBondContact O-N 2.92Å; L294-I344 HydrophobicContact CD1-CD1 3.69Å; L294-I344 HydrophobicContact CD2-CD1 3.78Å; L294-I344 HydrophobicContact CG-CD1 3.95Å; L294-A359 HydrophobicContact CD1-CB 3.72Å; L294-T360 HydrophobicContact CD2-CG2 3.98Å; L294-I363 HydrophobicContact CB-CD1 4.47Å; L294-I363 HydrophobicContact CD1-CD1 3.96Å
295Q98.3Very high97.5Very high121 Ų12160 Ų6057%0.56531%0.311SS*.Hα-helixtrans-60.2-45.7171.5-73.4171.9-21.400111.1T291 V292 L297 R298 A299T291-Q295 WeakPolarHBondContact O-CG 3.36Å; T291-Q295 PolarHBondContact O-N 3.02Å; V292-Q295 PolarHBondContact O-N 2.85Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.05Å; Q295-R298 PolarHBondContact O-N 3.29Å; Q295-A299 WeakPolarHBondContact O-CB 3.27Å; Q295-A299 PolarHBondContact O-N 3.14Å
296R98.3Very high97.3Very high98 Ų9863.9 Ų63.937%0.3733%0.332SS..Hα-helixtrans-62.8-37.8175.7-73.2174.7-179.7-157.7-0.6112.9D145 V292 L293 A299 K300 Y383D145-R296 IonicContact OD1-CZ 3.16Å; D145-R296 IonicContact OD1-NH1 3.71Å; D145-R296 PolarHBondContact OD1-NH1 2.87Å; D145-R296 IonicContact OD1-NH2 2.77Å; D145-R296 PolarHBondContact OD1-NH2 2.88Å; D145-R296 IonicContact OD2-CZ 3.05Å; D145-R296 IonicContact OD2-NH1 2.64Å; D145-R296 IonicContact OD2-NH2 3.51Å; D145-R296 PolarHBondContact OD2-NH2 2.72Å; V292-R296 WeakPolarHBondContact O-CG 3.49Å; V292-R296 PolarHBondContact O-N 3.3Å; L293-R296 PolarHBondContact O-N 3.41Å; R296-A299 PolarHBondContact O-N 2.96Å; R296-K300 PolarHBondContact O-N 3.3Å; R296-Y383 VanDerWaalsContact CB-OH 3.31Å; R296-Y383 WeakPolarHBondContact CB-OH 3.39Å
297L98.4Very high97.3Very high2 Ų263.7 Ų63.71%0.0133%0.333CS..Hα-helixtrans-65.8-44.9175.8-179.361.7000111.1L293 L294 Q295 A299 K300 A359 I363 Y383 L386 I388L293-L297 WeakPolarHBondContact O-CB 3.23Å; L293-L297 PolarHBondContact O-N 3.28Å; L294-L297 PolarHBondContact O-N 3.34Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.05Å; L297-A299 VanDerWaalsContact C-N 3.3Å; L297-A299 PolarHBondContact O-N 2.9Å; L297-K300 HydrophobicContact CD1-CD 4.23Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 2.84Å; L297-A359 HydrophobicContact CD2-CB 3.79Å; L297-I363 HydrophobicContact CD2-CD1 4.08Å; L297-Y383 HydrophobicContact CB-CE2 4.23Å; L297-Y383 PolarHBondContact N-OH 3.07Å; L297-L386 HydrophobicContact CD1-CB 3.87Å; L297-L386 WeakPolarHBondContact CD1-O 3.36Å; L297-L386 HydrophobicContact CD2-CB 4.46Å; L297-I388 HydrophobicContact CG-CD1 4.35Å; L297-I388 HydrophobicContact CG-CG1 4.23Å
298R98Very high97.2Very high137 Ų13760.1 Ų60.152%0.51732%0.316SS..Hα-helixtrans-60.2-39.3172.9-73.2173.5170.5179.1-5.2111.9L294 Q295 K300 G301 I344 I388L294-R298 WeakPolarHBondContact O-CG 3.31Å; L294-R298 PolarHBondContact O-N 2.92Å; Q295-R298 PolarHBondContact O-N 3.29Å; R298-K300 VanDerWaalsContact C-N 3.26Å; R298-K300 PolarHBondContact O-N 3.13Å; R298-G301 PolarHBondContact O-N 3.19Å; R298-I344 VanDerWaalsContact NH2-CD1 3.31Å; R298-I388 HydrophobicContact CB-CD1 4.49Å; R298-I388 HydrophobicContact CG-CD1 4Å
299A98.1Very high97.1Very high87 Ų8763.8 Ų63.872%0.71933%0.329SS*.Hα-helixtrans-68.2-17.4177.400000114.3Q295 R296 L297 G301Q295-A299 WeakPolarHBondContact O-CB 3.27Å; Q295-A299 PolarHBondContact O-N 3.14Å; R296-A299 PolarHBondContact O-N 2.96Å; L297-A299 VanDerWaalsContact C-N 3.3Å; L297-A299 PolarHBondContact O-N 2.9Å; A299-G301 PolarHBondContact O-N 3.44Å
300K96.5Very high97Very high103 Ų10364.2 Ų64.245%0.44834%0.336SS..THydrogen-bonded Turntrans-68.4-13.9167.1-60.9-173.4-168.2172.60112.8R296 L297 R298 Y383 E384R296-K300 PolarHBondContact O-N 3.3Å; L297-K300 HydrophobicContact CD1-CD 4.23Å; L297-K300 WeakPolarHBondContact O-CB 3.46Å; L297-K300 PolarHBondContact O-N 2.84Å; R298-K300 VanDerWaalsContact C-N 3.26Å; R298-K300 PolarHBondContact O-N 3.13Å; K300-Y383 PolarHBondContact NZ-O 3.37Å; K300-E384 PolarHBondContact NZ-O 2.74Å; K300-E384 VanDerWaalsContact NZ-O 3.13Å
301G96.6Very high96.9Very high38 Ų3865 Ų6539%0.39234%0.339SS..  trans88.9173.3-175.400000114R298 A299R298-G301 PolarHBondContact O-N 3.19Å; A299-G301 PolarHBondContact O-N 3.44Å
302I98Very high96.7Very high97 Ų9761.3 Ų61.350%0.49732%0.316SS..EExtended strand (participates in β ladder)trans-95.3135.4177.1-60174.4000108.2I388 M393I302-I388 HydrophobicContact CG1-CB 4.47Å; I302-I388 HydrophobicContact CG1-CG2 4.19Å; I302-I388 HydrophobicContact CG2-CG2 4.36Å; I302-M393 HydrophobicContact CD1-CE 4.23Å; I302-M393 HydrophobicContact CD1-CG 4.37Å; I302-M393 HydrophobicContact CG2-CG 4.27Å
303R97.9Very high96.5Very high81 Ų8165.8 Ų65.831%0.30633%0.331SS..EExtended strand (participates in β ladder)trans-68.1133177.2-179.1171.8-176.274.9-1.1109.7H307 I387 I388 G390R303-H307 HydrophobicContact CG-CB 4.34Å; R303-H307 VanDerWaalsContact CZ-CD2 3.45Å; R303-H307 VanDerWaalsContact NH2-CG 3.32Å; R303-I387 HydrophobicContact CB-CB 4.37Å; R303-I387 HydrophobicContact CB-CD1 4.4Å; R303-I388 VanDerWaalsContact CB-O 3.25Å; R303-I388 WeakPolarHBondContact CB-O 3.43Å; R303-I388 PolarHBondContact N-O 2.9Å; R303-G390 WeakPolarHBondContact O-CA 3.48Å; R303-G390 PolarHBondContact O-N 3Å
304N97.5Very high96.2Very high80 Ų8072.4 Ų72.443%0.42836%0.362SS..PPolyproline II helixtrans-50.2126.9177.5178.2-24.8000110.5D306 H307N304-D306 PolarHBondContact O-N 3.34Å; N304-D306 VanDerWaalsContact O-N 3.17Å; N304-D306 VanDerWaalsContact OD1-CB 3.3Å; N304-D306 WeakPolarHBondContact OD1-CB 3.38Å; N304-D306 VanDerWaalsContact OD1-CG 3.3Å; N304-D306 PolarHBondContact OD1-N 3.33Å; N304-D306 PolarHBondContact OD1-OD2 2.99Å; N304-H307 PolarHBondContact O-CD2 2.98Å; N304-H307 PolarHBondContact O-N 3.01Å
305P96.4Very high95.9Very high21 Ų2175.1 Ų75.114%0.13637%0.373CS..THydrogen-bonded Turntrans-55.3-28.4-179.927.2-40.9000114H307 S308 R309 L391 E394P305-H307 PolarHBondContact O-N 3.14Å; P305-S308 WeakPolarHBondContact O-CA 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.32Å; P305-S308 PolarHBondContact O-N 2.95Å; P305-R309 VanDerWaalsContact CG-NH1 3.33Å; P305-R309 PolarHBondContact O-N 2.73Å; P305-L391 HydrophobicContact CB-CB 3.94Å; P305-L391 HydrophobicContact CB-CD1 4.42Å; P305-E394 WeakPolarHBondContact CG-OE1 3.4Å
306D95.8Very high95.6Very high86 Ų8669.7 Ų69.746%0.4635%0.348SS..Hα-helixtrans-63.3-25.2-179.1-61.5-28.1000112.8N304 S308 R309 A310N304-D306 PolarHBondContact O-N 3.34Å; N304-D306 VanDerWaalsContact O-N 3.17Å; N304-D306 VanDerWaalsContact OD1-CB 3.3Å; N304-D306 WeakPolarHBondContact OD1-CB 3.38Å; N304-D306 VanDerWaalsContact OD1-CG 3.3Å; N304-D306 PolarHBondContact OD1-N 3.33Å; N304-D306 PolarHBondContact OD1-OD2 2.99Å; D306-S308 VanDerWaalsContact C-N 3.3Å; D306-S308 PolarHBondContact O-N 3.45Å; D306-R309 PolarHBondContact O-N 2.96Å; D306-R309 IonicContact OD1-CZ 2.76Å; D306-R309 IonicContact OD1-NH1 3.98Å; D306-R309 PolarHBondContact OD1-NH1 3.48Å; D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.33Å; D306-A310 PolarHBondContact O-N 2.91Å
307H95.8Very high95.3Very high93 Ų9369.2 Ų69.243%0.43136%0.356SS..Hα-helixtrans-66-34.5171.2-68.1-55.9000112.6R303 N304 P305 L311R303-H307 HydrophobicContact CG-CB 4.34Å; R303-H307 VanDerWaalsContact CZ-CD2 3.45Å; R303-H307 VanDerWaalsContact NH2-CG 3.32Å; N304-H307 PolarHBondContact O-CD2 2.98Å; N304-H307 PolarHBondContact O-N 3.01Å; P305-H307 PolarHBondContact O-N 3.14Å; H307-L311 PolarHBondContact O-N 3.24Å
308S94.8Very high94.7Very high0 Ų071.7 Ų71.70%038%0.377CS..Hα-helixtrans-77.2-38.9176-60.80000110.4P305 D306 A310 L311 I312 R347 D389P305-S308 WeakPolarHBondContact O-CA 3.38Å; P305-S308 WeakPolarHBondContact O-CB 3.32Å; P305-S308 PolarHBondContact O-N 2.95Å; D306-S308 VanDerWaalsContact C-N 3.3Å; D306-S308 PolarHBondContact O-N 3.45Å; S308-A310 PolarHBondContact O-N 3.14Å; S308-L311 PolarHBondContact O-N 3.15Å; S308-I312 WeakPolarHBondContact O-CD1 3.33Å; S308-I312 VanDerWaalsContact O-CG1 3.27Å; S308-I312 WeakPolarHBondContact O-CG1 3.45Å; S308-I312 PolarHBondContact O-N 3.21Å; S308-R347 PolarHBondContact OG-NH2 3.01Å; S308-D389 PolarHBondContact OG-OD1 2.92Å; S308-D389 PolarHBondContact OG-OD2 3.22Å
309R94.6Very high94.3Very high88 Ų8869.7 Ų69.733%0.33238%0.377SS..Hα-helixtrans-58.7-43.7170.9-62.8179.1178.2112.511.7112P305 D306 I312 K313 L391 E394P305-R309 VanDerWaalsContact CG-NH1 3.33Å; P305-R309 PolarHBondContact O-N 2.73Å; D306-R309 PolarHBondContact O-N 2.96Å; D306-R309 IonicContact OD1-CZ 2.76Å; D306-R309 IonicContact OD1-NH1 3.98Å; D306-R309 PolarHBondContact OD1-NH1 3.48Å; R309-I312 WeakPolarHBondContact O-CB 3.47Å; R309-I312 PolarHBondContact O-N 2.92Å; R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 3.49Å; R309-L391 HydrophobicContact CG-CD1 4.32Å; R309-L391 HydrophobicContact CG-CD2 4.11Å; R309-E394 IonicContact CZ-OE2 2.65Å; R309-E394 IonicContact NH2-OE2 2.67Å; R309-E394 PolarHBondContact NH2-OE2 2.72Å
310A93.8Very high93.8Very high56 Ų5671.6 Ų71.646%0.46338%0.381SS..Hα-helixtrans-62.5-43.5175.800000112.2D306 S308 K313 E314D306-A310 VanDerWaalsContact O-CB 3.28Å; D306-A310 WeakPolarHBondContact O-CB 3.33Å; D306-A310 PolarHBondContact O-N 2.91Å; S308-A310 PolarHBondContact O-N 3.14Å; A310-K313 PolarHBondContact O-N 2.95Å; A310-E314 WeakPolarHBondContact O-CB 3.48Å; A310-E314 PolarHBondContact O-N 3.16Å
311L93.8Very high93.6Very high29 Ų2974.2 Ų74.215%0.15240%0.4CS..Hα-helixtrans-66.7-34.8176-179.165.7000112.8H307 S308 K315H307-L311 PolarHBondContact O-N 3.24Å; S308-L311 PolarHBondContact O-N 3.15Å; L311-K315 HydrophobicContact CG-CD 4.42Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 VanDerWaalsContact O-CG 3.29Å; L311-K315 WeakPolarHBondContact O-CG 3.39Å; L311-K315 PolarHBondContact O-N 3.37Å; L311-K315 VanDerWaalsContact O-N 3.11Å
312I94.5Very high93.3Very high3 Ų375 Ų752%0.01540%0.4CS..Hα-helixtrans-62.4-50.4171.8-73.1156000109.4S308 R309 E314 K315 L316 L329 L354 L391 F407S308-I312 WeakPolarHBondContact O-CD1 3.33Å; S308-I312 VanDerWaalsContact O-CG1 3.27Å; S308-I312 WeakPolarHBondContact O-CG1 3.45Å; S308-I312 PolarHBondContact O-N 3.21Å; R309-I312 WeakPolarHBondContact O-CB 3.47Å; R309-I312 PolarHBondContact O-N 2.92Å; I312-E314 PolarHBondContact O-N 3.42Å; I312-K315 PolarHBondContact O-N 2.95Å; I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.48Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.36Å; I312-L329 HydrophobicContact CB-CD1 4.45Å; I312-L329 HydrophobicContact CG1-CD1 4.36Å; I312-L329 HydrophobicContact CG2-CD1 4.3Å; I312-L354 HydrophobicContact CD1-CD1 4.33Å; I312-L354 HydrophobicContact CD1-CD2 3.9Å; I312-L354 HydrophobicContact CG1-CD1 4.1Å; I312-L354 HydrophobicContact CG1-CD2 3.44Å; I312-L354 VanDerWaalsContact CG1-CD2 3.44Å; I312-L354 HydrophobicContact CG1-CG 4.44Å; I312-L391 HydrophobicContact CD1-CD2 3.43Å; I312-L391 VanDerWaalsContact CD1-CD2 3.43Å; I312-F407 HydrophobicContact CD1-CD1 3.56Å; I312-F407 HydrophobicContact CD1-CD2 4.02Å; I312-F407 HydrophobicContact CD1-CE1 3.55Å; I312-F407 HydrophobicContact CD1-CE2 3.99Å; I312-F407 HydrophobicContact CD1-CG 3.8Å; I312-F407 HydrophobicContact CD1-CZ 3.76Å; I312-F407 HydrophobicContact CG1-CD1 4.45Å; I312-F407 HydrophobicContact CG1-CD2 4.34Å; I312-F407 HydrophobicContact CG1-CG 4.24Å; I312-F407 HydrophobicContact CG2-CB 3.94Å; I312-F407 HydrophobicContact CG2-CG 4.33Å
313K92.7Very high92.9Very high139 Ų13980.1 Ų80.160%0.60442%0.422SS*.Hα-helixtrans-60.8-43.8178.5-173.9172.9-178172.70112.1R309 A310 K315 L316 T317R309-K313 WeakPolarHBondContact O-CB 3.34Å; R309-K313 PolarHBondContact O-N 3.49Å; A310-K313 PolarHBondContact O-N 2.95Å; K313-K315 VanDerWaalsContact C-N 3.3Å; K313-K315 PolarHBondContact O-N 3.42Å; K313-L316 CarbonylContact O-C 3.57Å; K313-L316 PolarHBondContact O-N 3.34Å; K313-T317 PolarHBondContact O-N 3.29Å; K313-T317 PolarHBondContact O-OG1 2.83Å
314E91.6Very high92.5Very high141 Ų14183.2 Ų83.266%0.65944%0.443SS*.Hα-helixtrans-55.7-44.7174.5-176.3-170.315500111.5A310 I312A310-E314 WeakPolarHBondContact O-CB 3.48Å; A310-E314 PolarHBondContact O-N 3.16Å; I312-E314 PolarHBondContact O-N 3.42Å
315K92.4Very high92Very high78 Ų7881.8 Ų81.834%0.33944%0.442SS..Hα-helixtrans-74.4-24.3179.5-76.3178.7178.9-58.70115.2L311 I312 K313 L329 S352L311-K315 HydrophobicContact CG-CD 4.42Å; L311-K315 WeakPolarHBondContact O-CB 3.32Å; L311-K315 VanDerWaalsContact O-CG 3.29Å; L311-K315 WeakPolarHBondContact O-CG 3.39Å; L311-K315 PolarHBondContact O-N 3.37Å; L311-K315 VanDerWaalsContact O-N 3.11Å; I312-K315 PolarHBondContact O-N 2.95Å; K313-K315 VanDerWaalsContact C-N 3.3Å; K313-K315 PolarHBondContact O-N 3.42Å; K315-L329 HydrophobicContact CB-CD1 3.74Å; K315-L329 HydrophobicContact CB-CD2 4.37Å; K315-L329 HydrophobicContact CD-CD1 3.97Å; K315-S352 WeakPolarHBondContact CE-O 3.47Å; K315-S352 PolarHBondContact NZ-O 2.9Å
316L92.8Very high91.7Very high6 Ų684.5 Ų84.53%0.03146%0.459CS..Hα-helixtrans-97-6.3177.4-68.5177.4000112.8I312 K313 A318 T326 L329 K408 E409I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.48Å; I312-L316 WeakPolarHBondContact O-CB 3.36Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.36Å; K313-L316 CarbonylContact O-C 3.57Å; K313-L316 PolarHBondContact O-N 3.34Å; L316-A318 PolarHBondContact O-N 3.33Å; L316-T326 HydrophobicContact CD2-CG2 3.9Å; L316-T326 WeakPolarHBondContact CD2-O 3.48Å; L316-L329 HydrophobicContact CD1-CD1 4.47Å; L316-L329 HydrophobicContact CD1-CG 4.34Å; L316-L329 HydrophobicContact CD2-CD1 4.48Å; L316-L329 HydrophobicContact CD2-CD2 4.31Å; L316-L329 HydrophobicContact CD2-CG 3.81Å; L316-L329 HydrophobicContact CG-CD1 4.11Å; L316-L329 HydrophobicContact CG-CG 3.97Å; L316-K408 WeakPolarHBondContact CD1-O 3.29Å; L316-E409 HydrophobicContact CB-CG 4.43Å
317T90.8Very high91.3Very high88 Ų8885.9 Ų85.954%0.5447%0.47SS..SBendtrans-69113.7170.7-59.60000108K313 D319K313-T317 PolarHBondContact O-N 3.29Å; K313-T317 PolarHBondContact O-OG1 2.83Å; T317-D319 PolarHBondContact O-N 3.2Å
318A87.6Confident91.1Very high54 Ų5482.8 Ų82.845%0.44646%0.459SS..  trans-61.613317500000110.5L316 A325L316-A318 PolarHBondContact O-N 3.33Å; A318-A325 HydrophobicContact CB-CB 3.77Å
319D88.6Confident91.1Very high96 Ų9684.2 Ų84.251%0.51347%0.467SS..  trans-73.2120.4167.1-174.3-21000107.9T317 D321 S322T317-D319 PolarHBondContact O-N 3.2Å; D319-D321 PolarHBondContact O-N 3.21Å; D319-D321 VanDerWaalsContact O-N 3.17Å; D319-D321 PolarHBondContact OD1-N 3.1Å; D319-S322 PolarHBondContact O-N 3.32Å
320P88.5Confident91.1Very high126 Ų12686.2 Ų86.282%0.81847%0.474SS*.THydrogen-bonded Turntrans-63.1-19.2-178.227.6-36.7000113.7
321D91.5Very high91.3Very high158 Ų15884.1 Ų84.185%0.84546%0.456SS*.THydrogen-bonded Turntrans-91.6-1176.9-64.8-29.3000112.6D319D319-D321 PolarHBondContact O-N 3.21Å; D319-D321 VanDerWaalsContact O-N 3.17Å; D319-D321 PolarHBondContact OD1-N 3.1Å
322S89.7Confident91.5Very high56 Ų5684 Ų8439%0.39246%0.457SS..  trans-104.9125.5-180-175.20000112.6D319 I324D319-S322 PolarHBondContact O-N 3.32Å; S322-I324 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact OG-N 2.95Å; S322-I324 PolarHBondContact OG-O 3.32Å
323E90.2Very high91.6Very high204 Ų20483.8 Ų83.895%0.95346%0.456SS*.SBendtrans-67.4-19.7171.6-62.5-175.5169.600112.9
324I88.5Confident91.9Very high145 Ų14579.3 Ų79.374%0.74444%0.439SS*.  trans-110.4118.1179.9-57.2175.3000109.1S322S322-I324 PolarHBondContact O-N 3.44Å; S322-I324 PolarHBondContact OG-N 2.95Å; S322-I324 PolarHBondContact OG-O 3.32Å
325A88Confident92.2Very high50 Ų5072.6 Ų72.641%0.41341%0.407SS..  trans-111.7139.8174.800000111A318 T327A318-A325 HydrophobicContact CB-CB 3.77Å; A325-T327 PolarHBondContact O-N 3.07Å
326T90Very high92.5Very high78 Ų7870.7 Ų70.748%0.47940%0.403SS..  trans-80.2109.4173.4-57.70000108.8L316 S328 L329L316-T326 HydrophobicContact CD2-CG2 3.9Å; L316-T326 WeakPolarHBondContact CD2-O 3.48Å; T326-S328 VanDerWaalsContact CG2-O 3.31Å; T326-S328 WeakPolarHBondContact CG2-O 3.27Å; T326-L329 HydrophobicContact CG2-CD2 3.78Å
327T88.2Confident92.6Very high115 Ų11573.2 Ų73.271%0.70642%0.416SS*.  trans-84.4-20.2-176.356.30000113.9A325A325-T327 PolarHBondContact O-N 3.07Å
328S90.9Very high92.9Very high29 Ų2970.1 Ų70.120%0.20340%0.402CS..EExtended strand (participates in β ladder)trans-156.2155.717966.20000111.9T326 Q406 F407T326-S328 VanDerWaalsContact CG2-O 3.31Å; T326-S328 WeakPolarHBondContact CG2-O 3.27Å; S328-Q406 PolarHBondContact OG-NE2 3.3Å; S328-F407 CarbonylContact C-O 3.57Å; S328-F407 VanDerWaalsContact CA-O 3.23Å; S328-F407 WeakPolarHBondContact CA-O 3.4Å; S328-F407 VanDerWaalsContact CB-O 3.31Å; S328-F407 WeakPolarHBondContact CB-O 3.45Å
329L94.2Very high93.3Very high30 Ų3075.2 Ų75.216%0.15741%0.414CS..EExtended strand (participates in β ladder)trans-116.8116.9174.4-61.8173.7000110.3I312 K315 L316 T326 L354 Q406 F407I312-L329 HydrophobicContact CB-CD1 4.45Å; I312-L329 HydrophobicContact CG1-CD1 4.36Å; I312-L329 HydrophobicContact CG2-CD1 4.3Å; K315-L329 HydrophobicContact CB-CD1 3.74Å; K315-L329 HydrophobicContact CB-CD2 4.37Å; K315-L329 HydrophobicContact CD-CD1 3.97Å; L316-L329 HydrophobicContact CD1-CD1 4.47Å; L316-L329 HydrophobicContact CD1-CG 4.34Å; L316-L329 HydrophobicContact CD2-CD1 4.48Å; L316-L329 HydrophobicContact CD2-CD2 4.31Å; L316-L329 HydrophobicContact CD2-CG 3.81Å; L316-L329 HydrophobicContact CG-CD1 4.11Å; L316-L329 HydrophobicContact CG-CG 3.97Å; T326-L329 HydrophobicContact CG2-CD2 3.78Å; L329-L354 HydrophobicContact CD1-CD2 4.38Å; L329-Q406 WeakPolarHBondContact O-CA 3.27Å; L329-F407 HydrophobicContact CB-CB 4.32Å; L329-F407 PolarHBondContact N-O 3.32Å; L329-F407 PolarHBondContact O-N 3.46Å
330R95.2Very high93.7Very high130 Ų13075.8 Ų75.849%0.49142%0.415SS..EExtended strand (participates in β ladder)trans-84.6137.6171.1-61.4177.756.7176.3-1.5110.2E404 I405 Q406 M416R330-E404 IonicContact CZ-OE2 3.16Å; R330-E404 IonicContact NE-OE2 3.97Å; R330-E404 PolarHBondContact NE-OE2 3.11Å; R330-E404 IonicContact NH2-OE1 3.81Å; R330-E404 IonicContact NH2-OE2 2.72Å; R330-E404 PolarHBondContact NH2-OE2 2.67Å; R330-I405 WeakPolarHBondContact CA-O 3.49Å; R330-Q406 HydrophobicContact CG-CG 4.49Å; R330-M416 HydrophobicContact CB-SD 4.24Å; R330-M416 HydrophobicContact CG-CE 4.36Å; R330-M416 HydrophobicContact CG-SD 3.59Å; R330-M416 VanDerWaalsContact CG-SD 3.59Å; R330-M416 PolarHBondContact NE-SD 3.46Å
331V97Very high94.1Very high11 Ų1172.9 Ų72.97%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-142152.7168.5-620000110.9L354 F392 E404 I405 F407V331-L354 HydrophobicContact CG1-CB 4.09Å; V331-L354 HydrophobicContact CG1-CD2 3.91Å; V331-L354 HydrophobicContact CG1-CG 4.06Å; V331-F392 HydrophobicContact CB-CE1 4.44Å; V331-F392 HydrophobicContact CB-CZ 4.14Å; V331-F392 HydrophobicContact CG1-CZ 4.35Å; V331-F392 HydrophobicContact CG2-CE1 3.93Å; V331-F392 HydrophobicContact CG2-CZ 3.74Å; V331-E404 WeakPolarHBondContact O-CA 3.25Å; V331-I405 HydrophobicContact CG2-CD1 3.75Å; V331-I405 HydrophobicContact CG2-CG1 3.53Å; V331-I405 PolarHBondContact N-O 2.93Å; V331-I405 PolarHBondContact O-N 2.93Å; V331-F407 HydrophobicContact CG2-CD2 4.26Å; V331-F407 HydrophobicContact CG2-CE2 3.66Å
332S97.6Very high94.5Very high26 Ų2665.6 Ų65.618%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-92.3142174.2-173.50000112L334 Q355 D403S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 WeakPolarHBondContact OG-CB 2.94Å; S332-L334 PolarHBondContact OG-N 3.48Å; S332-Q355 PolarHBondContact O-NE2 3.27Å; S332-Q355 PolarHBondContact O-OE1 3.43Å; S332-D403 CarbonylContact C-O 3.51Å; S332-D403 WeakPolarHBondContact CA-O 3.4Å; S332-D403 PolarHBondContact OG-O 2.93Å
333L98.1Very high94.8Very high0 Ų067.7 Ų67.70%036%0.359CS..SBendtrans-87.3-0.2168.4-59.1-176.4000112.1R341 L342 F392 I395 L396 C399 D403 I405L333-R341 VanDerWaalsContact CD1-NH2 3.35Å; L333-L342 WeakPolarHBondContact O-CB 3.29Å; L333-L342 WeakPolarHBondContact O-CG 3.43Å; L333-L342 PolarHBondContact O-N 3.05Å; L333-F392 HydrophobicContact CD2-CD1 4.05Å; L333-F392 HydrophobicContact CD2-CE1 4.26Å; L333-I395 HydrophobicContact CD1-CG2 3.98Å; L333-I395 HydrophobicContact CD2-CG2 3.86Å; L333-L396 HydrophobicContact CB-CD2 3.93Å; L333-L396 HydrophobicContact CD1-CD2 4.45Å; L333-L396 HydrophobicContact CD2-CD2 4.15Å; L333-L396 HydrophobicContact CD2-CG 4.48Å; L333-L396 HydrophobicContact CG-CD2 4.4Å; L333-C399 HydrophobicContact CD1-CB 4.05Å; L333-D403 PolarHBondContact N-O 3.39Å; L333-I405 HydrophobicContact CD1-CG2 3.9Å; L333-I405 HydrophobicContact CD2-CG1 4.23Å; L333-I405 HydrophobicContact CG-CG1 4.44Å; L333-I405 HydrophobicContact CG-CG2 4.37Å
334L98Very high95.2Very high45 Ų4558.2 Ų58.224%0.23632%0.315CS..BIsolated β-bridgetrans-88.3147.3169.3-56.9-179.4000111.3S332 R341 D403S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 WeakPolarHBondContact OG-CB 2.94Å; S332-L334 PolarHBondContact OG-N 3.48Å; L334-R341 HydrophobicContact CD2-CB 4.32Å; L334-D403 HydrophobicContact CD1-CB 3.96Å; L334-D403 HydrophobicContact CD2-CB 4.27Å; L334-D403 WeakPolarHBondContact CD2-OD1 3.26Å; L334-D403 HydrophobicContact CG-CB 3.87Å
335C98.4Very high95.7Very high0 Ų051.3 Ų51.30%028%0.279CS..  trans-74.1120.9175.3-178.60000110.3L337 G338 K339 M340 L342 D358C335-L337 PolarHBondContact O-N 3.42Å; C335-L337 VanDerWaalsContact O-N 3.17Å; C335-G338 PolarHBondContact O-N 2.84Å; C335-G338 VanDerWaalsContact O-N 3.17Å; C335-K339 WeakPolarHBondContact O-CA 3.4Å; C335-K339 PolarHBondContact O-N 2.95Å; C335-M340 VanDerWaalsContact CB-O 3.31Å; C335-M340 WeakPolarHBondContact CB-O 3.2Å; C335-M340 PolarHBondContact N-O 2.92Å; C335-L342 HydrophobicContact CB-CD2 3.84Å; C335-D358 HydrophobicContact CB-CB 4.11Å; C335-D358 PolarHBondContact SG-N 2.73Å
336P98Very high96.2Very high38 Ų3849 Ų4925%0.24726%0.26CS..THydrogen-bonded Turntrans-62-27.7-179.123.4-33.3000113.2K339 C356 F357 V376P336-K339 WeakPolarHBondContact O-CE 3.38Å; P336-K339 PolarHBondContact O-NZ 2.83Å; P336-C356 VanDerWaalsContact CD-O 3.32Å; P336-C356 WeakPolarHBondContact CD-O 3.31Å; P336-F357 HydrophobicContact CG-CB 4.06Å; P336-V376 HydrophobicContact CG-CG2 3.76Å
337L96Very high96.6Very high59 Ų5945.9 Ų45.931%0.30924%0.239SC..THydrogen-bonded Turntrans-75.4-44.1173.9-78.3173.2000113.7C335 L361 Y362 M365 P375C335-L337 PolarHBondContact O-N 3.42Å; C335-L337 VanDerWaalsContact O-N 3.17Å; L337-L361 HydrophobicContact CB-CD2 3.69Å; L337-L361 HydrophobicContact CB-CG 4.31Å; L337-Y362 HydrophobicContact CD1-CD2 4.04Å; L337-M365 HydrophobicContact CD1-CE 4.23Å; L337-M365 HydrophobicContact CD2-CE 4.35Å; L337-M365 HydrophobicContact CD2-SD 4.09Å; L337-P375 HydrophobicContact CD1-CB 3.98Å; L337-P375 HydrophobicContact CD1-CG 3.79Å; L337-P375 HydrophobicContact CD2-CB 3.55Å; L337-P375 HydrophobicContact CD2-CG 4.3Å; L337-P375 HydrophobicContact CG-CB 3.49Å; L337-P375 VanDerWaalsContact CG-CB 3.49Å; L337-P375 HydrophobicContact CG-CG 3.73Å
338G95.8Very high97.1Very high23 Ų2340.5 Ų40.524%0.23721%0.206CC..THydrogen-bonded Turntrans-105.3-10.8-166.800000115.1C335 M340C335-G338 PolarHBondContact O-N 2.84Å; C335-G338 VanDerWaalsContact O-N 3.17Å; G338-M340 PolarHBondContact O-N 2.95Å
339K96.7Very high97.4Very high161 Ų16143.7 Ų43.770%0.722%0.221SC*.SBendtrans51.520.5-172.4-48-52.3-171-170.50114.4C335 P336C335-K339 WeakPolarHBondContact O-CA 3.4Å; C335-K339 PolarHBondContact O-N 2.95Å; P336-K339 WeakPolarHBondContact O-CE 3.38Å; P336-K339 PolarHBondContact O-NZ 2.83Å
340M96.8Very high97.5Very high108 Ų10846 Ų4653%0.53224%0.236SC..SBendtrans-113.4156.5177.964.3-176.764.300109.9C335 G338 L342C335-M340 VanDerWaalsContact CB-O 3.31Å; C335-M340 WeakPolarHBondContact CB-O 3.2Å; C335-M340 PolarHBondContact N-O 2.92Å; G338-M340 PolarHBondContact O-N 2.95Å; M340-L342 PolarHBondContact O-N 2.97Å
341R97.8Very high97.6Very high64 Ų6440.3 Ų40.324%0.24222%0.217CC..BIsolated β-bridgetrans-54.8134.5178.7-165.8170.4-159.175.21.7111.6L333 L334 T343 L396 C399 C402 D403L333-R341 VanDerWaalsContact CD1-NH2 3.35Å; L334-R341 HydrophobicContact CD2-CB 4.32Å; R341-T343 PolarHBondContact O-N 2.98Å; R341-L396 HydrophobicContact CG-CD2 4.17Å; R341-C399 PolarHBondContact NH2-O 2.87Å; R341-C402 PolarHBondContact NH1-O 2.97Å; R341-C402 PolarHBondContact NH2-O 3.25Å; R341-D403 IonicContact NH1-OD1 2.72Å; R341-D403 PolarHBondContact NH1-OD1 3.18Å
342L98.4Very high97.6Very high6 Ų643 Ų433%0.03124%0.235CC..  trans-58.1128.5175.4-69.4167.8000109.7L333 C335 M340 P345 C356 D358 F392 L396L333-L342 WeakPolarHBondContact O-CB 3.29Å; L333-L342 WeakPolarHBondContact O-CG 3.43Å; L333-L342 PolarHBondContact O-N 3.05Å; C335-L342 HydrophobicContact CB-CD2 3.84Å; M340-L342 PolarHBondContact O-N 2.97Å; L342-P345 HydrophobicContact CD1-CB 4.32Å; L342-C356 HydrophobicContact CD1-CB 4.08Å; L342-D358 HydrophobicContact CD2-CB 4.14Å; L342-F392 HydrophobicContact CD1-CD1 4.2Å; L342-L396 HydrophobicContact CB-CD1 3.65Å; L342-L396 HydrophobicContact CB-CD2 4.1Å
343T97.6Very high97.5Very high99 Ų9943 Ų4361%0.60723%0.232SC*.SBendtrans-103.9-35.4173.1-58.20000110.5R341 D358R341-T343 PolarHBondContact O-N 2.98Å; T343-D358 WeakPolarHBondContact CA-OD2 3.39Å; T343-D358 WeakPolarHBondContact CB-OD2 3.48Å; T343-D358 PolarHBondContact N-OD2 3.5Å
344I98.2Very high97.5Very high6 Ų643.4 Ų43.43%0.03124%0.235CC..SBendtrans-133.188.8175.3-51.7166.5000107.7L294 R298 C346 D358 A359 T360 I388L294-I344 HydrophobicContact CD1-CD1 3.69Å; L294-I344 HydrophobicContact CD2-CD1 3.78Å; L294-I344 HydrophobicContact CG-CD1 3.95Å; R298-I344 VanDerWaalsContact NH2-CD1 3.31Å; I344-C346 PolarHBondContact O-N 2.77Å; I344-D358 PolarHBondContact N-OD2 3.39Å; I344-D358 WeakPolarHBondContact O-CA 3.31Å; I344-A359 HydrophobicContact CB-CB 3.88Å; I344-A359 HydrophobicContact CG2-CB 3.63Å; I344-A359 PolarHBondContact O-N 2.96Å; I344-T360 WeakPolarHBondContact CD1-OG1 3.21Å; I344-I388 HydrophobicContact CG2-CD1 3.89Å; I344-I388 HydrophobicContact CG2-CG1 3.94Å; I344-I388 HydrophobicContact CG2-CG2 4.17Å
345P98.6Very high97.5Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-65.6116.5-17829.4-35.9000110.2L342 C356 I388 D389 F392 M393 L396L342-P345 HydrophobicContact CD1-CB 4.32Å; P345-C356 HydrophobicContact CB-CB 3.82Å; P345-I388 WeakPolarHBondContact O-CA 3.37Å; P345-D389 PolarHBondContact O-N 2.87Å; P345-F392 HydrophobicContact CB-CB 3.41Å; P345-F392 VanDerWaalsContact CB-CB 3.41Å; P345-F392 HydrophobicContact CB-CD1 4.49Å; P345-F392 HydrophobicContact CB-CG 4.16Å; P345-F392 HydrophobicContact CG-CB 3.57Å; P345-M393 WeakPolarHBondContact CD-SD 3.43Å; P345-M393 HydrophobicContact CG-CG 3.83Å; P345-M393 HydrophobicContact CG-SD 3.9Å; P345-L396 HydrophobicContact CB-CD1 4.07Å; P345-L396 HydrophobicContact CG-CD1 3.78Å
346C98.8Very high97.5Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-130.8148.1-173.4-173.80000111.5I344 C356 F357 A359 I387I344-C346 PolarHBondContact O-N 2.77Å; C346-C356 WeakPolarHBondContact O-CA 3.42Å; C346-F357 WeakPolarHBondContact CA-O 3.27Å; C346-F357 HydrophobicContact CB-CD2 4.3Å; C346-F357 HydrophobicContact CB-CE2 4.11Å; C346-F357 WeakPolarHBondContact CB-O 3.38Å; C346-F357 PolarHBondContact N-O 3.35Å; C346-F357 WeakPolarHBondContact O-CD1 3.45Å; C346-F357 PolarHBondContact O-N 3.4Å; C346-A359 HydrophobicContact CB-CB 3.78Å; C346-I387 VanDerWaalsContact CA-O 3.32Å; C346-I387 WeakPolarHBondContact CA-O 3.49Å; C346-I387 PolarHBondContact SG-O 3.37Å
347R98.3Very high97.5Very high13 Ų1341 Ų415%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-153.1164.5167.854-174.3178.1134.21.6109.4S308 H353 F357 I387 D389S308-R347 PolarHBondContact OG-NH2 3.01Å; R347-H353 PolarHBondContact NH1-O 3.16Å; R347-F357 HydrophobicContact CB-CE1 4.39Å; R347-I387 HydrophobicContact CG-CD1 3.78Å; R347-I387 PolarHBondContact N-O 2.95Å; R347-I387 PolarHBondContact O-N 2.86Å; R347-D389 IonicContact CZ-OD2 3.04Å; R347-D389 IonicContact NE-OD2 3.32Å; R347-D389 PolarHBondContact NE-OD2 2.73Å; R347-D389 IonicContact NH2-OD2 2.72Å; R347-D389 PolarHBondContact NH2-OD2 2.82Å
348A98.4Very high97.6Very high2 Ų238.5 Ų38.52%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-83.1146.6171.300000110.7T350 C351 A381 H385 L386A348-T350 PolarHBondContact O-N 2.72Å; A348-C351 VanDerWaalsContact O-CB 3.25Å; A348-C351 WeakPolarHBondContact O-CB 3.2Å; A348-C351 PolarHBondContact O-N 2.72Å; A348-A381 HydrophobicContact CB-CB 3.74Å; A348-H385 CarbonylContact C-O 3.47Å; A348-H385 WeakPolarHBondContact CA-O 3.37Å; A348-H385 HydrophobicContact CB-CB 4.22Å; A348-L386 HydrophobicContact CB-CD2 4.36Å
349L97.2Very high97.8Very high96 Ų9637.4 Ų37.450%0.50320%0.195SC..THydrogen-bonded Turntrans-54-24.7174-73.7168000113.9C351 H385 I387L349-C351 VanDerWaalsContact C-N 3.35Å; L349-H385 PolarHBondContact N-O 3.19Å; L349-I387 HydrophobicContact CD1-CG2 4.15Å; L349-I387 HydrophobicContact CD2-CG1 4.07Å; L349-I387 HydrophobicContact CD2-CG2 3.83Å; L349-I387 HydrophobicContact CG-CG1 4.3Å; L349-I387 HydrophobicContact CG-CG2 3.79Å
350T96.6Very high97.9Very high79 Ų7931.8 Ų31.849%0.48517%0.174SC..THydrogen-bonded Turntrans-86.91.617947.80000114.1A348A348-T350 PolarHBondContact O-N 2.72Å
351C97.9Very high97.9Very high11 Ų1128.9 Ų28.97%0.07416%0.16CC..  trans-84.9128179-680000111.6A348 L349 H353A348-C351 VanDerWaalsContact O-CB 3.25Å; A348-C351 WeakPolarHBondContact O-CB 3.2Å; A348-C351 PolarHBondContact O-N 2.72Å; L349-C351 VanDerWaalsContact C-N 3.35Å; C351-H353 WeakPolarHBondContact CB-NE2 3.44Å; C351-H353 PolarHBondContact SG-NE2 3.19Å
352S96Very high98Very high66 Ų6625.9 Ų25.946%0.46215%0.149SC..  trans-87.4-0.3177.856.30000114.2K315K315-S352 WeakPolarHBondContact CE-O 3.47Å; K315-S352 PolarHBondContact NZ-O 2.9Å
353H96.6Very high98Very high26 Ų2625.6 Ų25.612%0.1215%0.147CC..  trans-97.7157.6176.657.781.4000111.6R347 C351 Q355 C374 V376 C377R347-H353 PolarHBondContact NH1-O 3.16Å; C351-H353 WeakPolarHBondContact CB-NE2 3.44Å; C351-H353 PolarHBondContact SG-NE2 3.19Å; H353-Q355 PolarHBondContact CE1-O 2.79Å; H353-Q355 VanDerWaalsContact CE1-O 3.27Å; H353-Q355 PolarHBondContact ND1-O 2.72Å; H353-C374 PolarHBondContact NE2-SG 3.43Å; H353-V376 HydrophobicContact CB-CG1 4.23Å; H353-C377 PolarHBondContact CD2-SG 3.1Å; H353-C377 PolarHBondContact NE2-SG 2.96Å
354L96.7Very high98Very high9 Ų924.8 Ų24.85%0.04714%0.137CC..  trans-88.4-35176.5-172.561.5000112.3I312 L329 V331 C356 F392 F407I312-L354 HydrophobicContact CD1-CD1 4.33Å; I312-L354 HydrophobicContact CD1-CD2 3.9Å; I312-L354 HydrophobicContact CG1-CD1 4.1Å; I312-L354 HydrophobicContact CG1-CD2 3.44Å; I312-L354 VanDerWaalsContact CG1-CD2 3.44Å; I312-L354 HydrophobicContact CG1-CG 4.44Å; L329-L354 HydrophobicContact CD1-CD2 4.38Å; V331-L354 HydrophobicContact CG1-CB 4.09Å; V331-L354 HydrophobicContact CG1-CD2 3.91Å; V331-L354 HydrophobicContact CG1-CG 4.06Å; L354-C356 PolarHBondContact O-N 2.86Å; L354-F392 HydrophobicContact CD1-CE2 4.04Å; L354-F392 HydrophobicContact CG-CE2 3.94Å; L354-F392 HydrophobicContact CG-CZ 4.23Å; L354-F392 VanDerWaalsContact O-CE2 3.27Å; L354-F392 WeakPolarHBondContact O-CE2 3.5Å; L354-F392 WeakPolarHBondContact O-CZ 3.25Å; L354-F407 HydrophobicContact CD2-CD2 3.66Å; L354-F407 HydrophobicContact CD2-CE2 3.52Å; L354-F407 HydrophobicContact CD2-CZ 4.42Å; L354-F407 HydrophobicContact CG-CE2 4.45Å
355Q98.2Very high97.9Very high33 Ų3327.7 Ų27.715%0.15415%0.151CC..  trans-51.2128.5179-177.96052.400111.8S332 H353 V376S332-Q355 PolarHBondContact O-NE2 3.27Å; S332-Q355 PolarHBondContact O-OE1 3.43Å; H353-Q355 PolarHBondContact CE1-O 2.79Å; H353-Q355 VanDerWaalsContact CE1-O 3.27Å; H353-Q355 PolarHBondContact ND1-O 2.72Å; Q355-V376 HydrophobicContact CB-CG1 4.1Å; Q355-V376 HydrophobicContact CG-CG1 4.33Å; Q355-V376 HydrophobicContact CG-CG2 4.08Å
356C98.6Very high97.9Very high0 Ų027.7 Ų27.70%015%0.151CC..  trans-97162.6175.9-710000111.8P336 L342 P345 C346 L354 F392P336-C356 VanDerWaalsContact CD-O 3.32Å; P336-C356 WeakPolarHBondContact CD-O 3.31Å; L342-C356 HydrophobicContact CD1-CB 4.08Å; P345-C356 HydrophobicContact CB-CB 3.82Å; C346-C356 WeakPolarHBondContact O-CA 3.42Å; L354-C356 PolarHBondContact O-N 2.86Å; C356-F392 HydrophobicContact CB-CD1 4.29Å; C356-F392 HydrophobicContact CB-CE1 4.39Å; C356-F392 HydrophobicContact CB-CG 4.42Å
357F98.8Very high97.7Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-123.6160.1168.154.4-100.9000110.2P336 C346 R347 A359 Y362 P375 V376 L386P336-F357 HydrophobicContact CG-CB 4.06Å; C346-F357 WeakPolarHBondContact CA-O 3.27Å; C346-F357 HydrophobicContact CB-CD2 4.3Å; C346-F357 HydrophobicContact CB-CE2 4.11Å; C346-F357 WeakPolarHBondContact CB-O 3.38Å; C346-F357 PolarHBondContact N-O 3.35Å; C346-F357 WeakPolarHBondContact O-CD1 3.45Å; C346-F357 PolarHBondContact O-N 3.4Å; R347-F357 HydrophobicContact CB-CE1 4.39Å; F357-A359 PolarHBondContact O-N 3.34Å; F357-Y362 HydrophobicContact CD2-CD1 4.49Å; F357-Y362 HydrophobicContact CD2-CD2 4.05Å; F357-Y362 AromaticContact CD2-CG 3.84Å; F357-Y362 HydrophobicContact CD2-CG 3.84Å; F357-Y362 AromaticContact CE2-CD1 3.68Å; F357-Y362 HydrophobicContact CE2-CD1 3.68Å; F357-Y362 AromaticContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CE1 4.21Å; F357-Y362 HydrophobicContact CE2-CE2 4.33Å; F357-Y362 AromaticContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CE2-CG 3.44Å; F357-Y362 VanDerWaalsContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CZ-CD1 4.32Å; F357-Y362 HydrophobicContact CZ-CD2 4.35Å; F357-Y362 HydrophobicContact CZ-CE1 4.41Å; F357-Y362 HydrophobicContact CZ-CE2 4.46Å; F357-Y362 HydrophobicContact CZ-CG 4.29Å; F357-P375 HydrophobicContact CB-CG 3.74Å; F357-P375 HydrophobicContact CD1-CG 3.6Å; F357-P375 HydrophobicContact CD2-CG 4.43Å; F357-P375 HydrophobicContact CE1-CG 4.3Å; F357-P375 HydrophobicContact CG-CG 3.67Å; F357-V376 HydrophobicContact CD1-CG2 4.45Å; F357-L386 HydrophobicContact CE2-CD2 4.38Å; F357-L386 HydrophobicContact CZ-CD2 4.04Å
358D98.7Very high97.5Very high7 Ų739.2 Ų39.24%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-76.1125.8-178.7-166.1-85.7000111.6C335 L342 T343 I344 T360 L361 Y362C335-D358 HydrophobicContact CB-CB 4.11Å; C335-D358 PolarHBondContact SG-N 2.73Å; L342-D358 HydrophobicContact CD2-CB 4.14Å; T343-D358 WeakPolarHBondContact CA-OD2 3.39Å; T343-D358 WeakPolarHBondContact CB-OD2 3.48Å; T343-D358 PolarHBondContact N-OD2 3.5Å; I344-D358 PolarHBondContact N-OD2 3.39Å; I344-D358 WeakPolarHBondContact O-CA 3.31Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.97Å; D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.36Å; D358-T360 PolarHBondContact OD1-OG1 2.96Å; D358-L361 HydrophobicContact CB-CB 4.5Å; D358-Y362 VanDerWaalsContact O-CB 3.28Å; D358-Y362 WeakPolarHBondContact O-CB 3.25Å; D358-Y362 PolarHBondContact O-N 3.35Å
359A98.7Very high97.2Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-59.9-37-18000000113.4L294 L297 I344 C346 F357 I363L294-A359 HydrophobicContact CD1-CB 3.72Å; L297-A359 HydrophobicContact CD2-CB 3.79Å; I344-A359 HydrophobicContact CB-CB 3.88Å; I344-A359 HydrophobicContact CG2-CB 3.63Å; I344-A359 PolarHBondContact O-N 2.96Å; C346-A359 HydrophobicContact CB-CB 3.78Å; F357-A359 PolarHBondContact O-N 3.34Å; A359-I363 WeakPolarHBondContact O-CB 3.36Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.26Å; A359-I363 PolarHBondContact O-N 3.08Å
360T98.2Very high97.1Very high42 Ų4243.5 Ų43.526%0.25822%0.223SC..Hα-helixtrans-63-55.3-176.8-42.10000109.7L294 I344 D358 Y362 I363 Q364L294-T360 HydrophobicContact CD2-CG2 3.98Å; I344-T360 WeakPolarHBondContact CD1-OG1 3.21Å; D358-T360 VanDerWaalsContact C-N 3.29Å; D358-T360 PolarHBondContact O-N 2.97Å; D358-T360 WeakPolarHBondContact OD1-CA 3.42Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.36Å; D358-T360 PolarHBondContact OD1-OG1 2.96Å; T360-Y362 VanDerWaalsContact C-N 3.33Å; T360-Y362 PolarHBondContact O-N 2.87Å; T360-I363 PolarHBondContact O-N 3.04Å; T360-Q364 WeakPolarHBondContact O-CB 3.41Å; T360-Q364 VanDerWaalsContact O-CG 3.29Å; T360-Q364 WeakPolarHBondContact O-CG 3.42Å; T360-Q364 PolarHBondContact O-N 3.49Å
361L98.1Very high97Very high48 Ų4842.1 Ų42.125%0.25121%0.214SC..Hα-helixtrans-66.2-37.3-178.8-174.560000111.5L337 D358 M365L337-L361 HydrophobicContact CB-CD2 3.69Å; L337-L361 HydrophobicContact CB-CG 4.31Å; D358-L361 HydrophobicContact CB-CB 4.5Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 PolarHBondContact O-N 3.4Å
362Y98.7Very high96.9Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-62.5-45176.2-173.4-109000112.9L337 F357 D358 T360 M365 N366 W372 V373 A381 L386L337-Y362 HydrophobicContact CD1-CD2 4.04Å; F357-Y362 HydrophobicContact CD2-CD1 4.49Å; F357-Y362 HydrophobicContact CD2-CD2 4.05Å; F357-Y362 AromaticContact CD2-CG 3.84Å; F357-Y362 HydrophobicContact CD2-CG 3.84Å; F357-Y362 AromaticContact CE2-CD1 3.68Å; F357-Y362 HydrophobicContact CE2-CD1 3.68Å; F357-Y362 AromaticContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CD2 3.8Å; F357-Y362 HydrophobicContact CE2-CE1 4.21Å; F357-Y362 HydrophobicContact CE2-CE2 4.33Å; F357-Y362 AromaticContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CE2-CG 3.44Å; F357-Y362 VanDerWaalsContact CE2-CG 3.44Å; F357-Y362 HydrophobicContact CZ-CD1 4.32Å; F357-Y362 HydrophobicContact CZ-CD2 4.35Å; F357-Y362 HydrophobicContact CZ-CE1 4.41Å; F357-Y362 HydrophobicContact CZ-CE2 4.46Å; F357-Y362 HydrophobicContact CZ-CG 4.29Å; D358-Y362 VanDerWaalsContact O-CB 3.28Å; D358-Y362 WeakPolarHBondContact O-CB 3.25Å; D358-Y362 PolarHBondContact O-N 3.35Å; T360-Y362 VanDerWaalsContact C-N 3.33Å; T360-Y362 PolarHBondContact O-N 2.87Å; Y362-M365 HydrophobicContact CD2-CE 3.95Å; Y362-M365 HydrophobicContact CE2-CE 3.98Å; Y362-N366 PolarHBondContact O-N 3.34Å; Y362-N366 PolarHBondContact O-ND2 3.41Å; Y362-W372 HydrophobicContact CD1-CZ3 4.4Å; Y362-W372 AromaticContact CE1-CE3 3.77Å; Y362-W372 HydrophobicContact CE1-CE3 3.77Å; Y362-W372 AromaticContact CE1-CZ3 3.86Å; Y362-W372 HydrophobicContact CE1-CZ3 3.86Å; Y362-W372 WeakPolarHBondContact OH-CA 3.38Å; Y362-V373 WeakPolarHBondContact CE2-O 3.29Å; Y362-V373 PolarHBondContact OH-N 3.5Å; Y362-V373 PolarHBondContact OH-O 3.09Å; Y362-V373 VanDerWaalsContact OH-O 3.06Å; Y362-A381 PolarHBondContact OH-O 3.22Å; Y362-A381 VanDerWaalsContact OH-O 3.1Å; Y362-L386 HydrophobicContact CD1-CD1 3.91Å; Y362-L386 HydrophobicContact CD1-CD2 4.33Å; Y362-L386 HydrophobicContact CE1-CD1 3.93Å; Y362-L386 HydrophobicContact CE1-CD2 3.95Å
363I98.6Very high97.1Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-70.4-43.9178.8-65.9171.1000110F143 L293 L294 L297 A359 T360 M365 N366 E367 Y383F143-I363 HydrophobicContact CE1-CG2 4.24Å; F143-I363 HydrophobicContact CZ-CG2 3.93Å; F143-I363 WeakPolarHBondContact CZ-O 3.14Å; L293-I363 HydrophobicContact CB-CD1 4.43Å; L293-I363 HydrophobicContact CB-CG2 3.84Å; L293-I363 HydrophobicContact CD1-CG2 4.32Å; L294-I363 HydrophobicContact CB-CD1 4.47Å; L294-I363 HydrophobicContact CD1-CD1 3.96Å; L297-I363 HydrophobicContact CD2-CD1 4.08Å; A359-I363 WeakPolarHBondContact O-CB 3.36Å; A359-I363 VanDerWaalsContact O-CG1 3.24Å; A359-I363 WeakPolarHBondContact O-CG1 3.26Å; A359-I363 PolarHBondContact O-N 3.08Å; T360-I363 PolarHBondContact O-N 3.04Å; I363-M365 VanDerWaalsContact C-N 3.3Å; I363-M365 PolarHBondContact O-N 2.92Å; I363-N366 CarbonylContact O-C 3.5Å; I363-N366 PolarHBondContact O-N 3.5Å; I363-N366 VanDerWaalsContact O-N 3.08Å; I363-E367 PolarHBondContact O-N 3.44Å; I363-Y383 HydrophobicContact CD1-CE2 4.22Å
364Q97.6Very high97.1Very high82 Ų8240.7 Ų40.738%0.38320%0.201SC..Hα-helixtrans-58.5-38.2175.2-74.8173.7-13.100113.2T360 E367 K368T360-Q364 WeakPolarHBondContact O-CB 3.41Å; T360-Q364 VanDerWaalsContact O-CG 3.29Å; T360-Q364 WeakPolarHBondContact O-CG 3.42Å; T360-Q364 PolarHBondContact O-N 3.49Å; Q364-E367 WeakPolarHBondContact O-CB 3.45Å; Q364-E367 PolarHBondContact O-N 2.85Å; Q364-K368 PolarHBondContact O-N 3.36Å
365M97Very high97.2Very high67 Ų6742 Ų4233%0.3321%0.21SC..Hα-helixtrans-63.5-44.2173.6-178.4-178.766.700111.3L337 L361 Y362 I363 E367 K368 K369L337-M365 HydrophobicContact CD1-CE 4.23Å; L337-M365 HydrophobicContact CD2-CE 4.35Å; L337-M365 HydrophobicContact CD2-SD 4.09Å; L361-M365 WeakPolarHBondContact O-CB 3.29Å; L361-M365 PolarHBondContact O-N 3.4Å; Y362-M365 HydrophobicContact CD2-CE 3.95Å; Y362-M365 HydrophobicContact CE2-CE 3.98Å; I363-M365 VanDerWaalsContact C-N 3.3Å; I363-M365 PolarHBondContact O-N 2.92Å; M365-E367 VanDerWaalsContact C-N 3.33Å; M365-E367 PolarHBondContact O-N 3.37Å; M365-K368 PolarHBondContact O-N 3.1Å; M365-K369 PolarHBondContact O-N 2.82Å
366N97.7Very high97.2Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-72.4-23.8179.6-78.9-78.4000113.5F143 Y362 I363 K369 P370 T371 W372F143-N366 HydrophobicContact CE2-CB 4.06Å; F143-N366 HydrophobicContact CZ-CB 4.4Å; Y362-N366 PolarHBondContact O-N 3.34Å; Y362-N366 PolarHBondContact O-ND2 3.41Å; I363-N366 CarbonylContact O-C 3.5Å; I363-N366 PolarHBondContact O-N 3.5Å; I363-N366 VanDerWaalsContact O-N 3.08Å; N366-K369 CarbonylContact O-C 3.57Å; N366-P370 WeakPolarHBondContact O-CA 3.43Å; N366-P370 WeakPolarHBondContact O-CB 3.47Å; N366-P370 VanDerWaalsContact O-CD 3.29Å; N366-P370 WeakPolarHBondContact O-CD 3.29Å; N366-T371 PolarHBondContact OD1-N 3.41Å; N366-T371 VanDerWaalsContact OD1-N 3.1Å; N366-W372 HydrophobicContact CB-CD2 4.23Å; N366-W372 HydrophobicContact CB-CE3 4.16Å; N366-W372 HydrophobicContact CB-CH2 3.78Å; N366-W372 HydrophobicContact CB-CZ2 3.86Å; N366-W372 HydrophobicContact CB-CZ3 3.93Å; N366-W372 WeakPolarHBondContact OD1-CA 3.36Å; N366-W372 PolarHBondContact OD1-N 3.19Å
367E95.7Very high97.2Very high70 Ų7044.6 Ų44.633%0.32723%0.229SC..Hα-helixtrans-62.5-46.3171.5-172.7169.7-142.800110.7F143 S289 S290 I363 Q364 M365F143-E367 HydrophobicContact CD1-CB 4.31Å; F143-E367 HydrophobicContact CD1-CG 4.16Å; F143-E367 HydrophobicContact CE1-CB 3.45Å; F143-E367 VanDerWaalsContact CE1-CB 3.45Å; F143-E367 HydrophobicContact CE1-CG 3.68Å; F143-E367 HydrophobicContact CE2-CB 4.43Å; F143-E367 HydrophobicContact CZ-CB 3.55Å; F143-E367 HydrophobicContact CZ-CG 4.28Å; S289-E367 WeakPolarHBondContact CA-OE1 3.45Å; S290-E367 WeakPolarHBondContact CB-OE2 3.31Å; S290-E367 PolarHBondContact N-OE1 2.94Å; S290-E367 PolarHBondContact N-OE2 3.08Å; S290-E367 PolarHBondContact OG-OE2 3.39Å; I363-E367 PolarHBondContact O-N 3.44Å; Q364-E367 WeakPolarHBondContact O-CB 3.45Å; Q364-E367 PolarHBondContact O-N 2.85Å; M365-E367 VanDerWaalsContact C-N 3.33Å; M365-E367 PolarHBondContact O-N 3.37Å
368K93.3Very high97.1Very high186 Ų18650.8 Ų50.881%0.80926%0.262SS*.Hα-helixtrans-72.3-42.1176.3-64.3178.3-179.4177.20112.3Q364 M365Q364-K368 PolarHBondContact O-N 3.36Å; M365-K368 PolarHBondContact O-N 3.1Å
369K92.8Very high97.1Very high130 Ų13055.7 Ų55.757%0.56528%0.283SS*.SBendtrans-145.692.2-177-168.9-173.4179.6-178.40110.2M365 N366 T371M365-K369 PolarHBondContact O-N 2.82Å; N366-K369 CarbonylContact O-C 3.57Å; K369-T371 HydrophobicContact CD-CG2 4.2Å; K369-T371 HydrophobicContact CG-CG2 4.03Å; K369-T371 PolarHBondContact O-N 3.4Å
370P93.9Very high97Very high58 Ų5861.7 Ų61.738%0.37731%0.309SS..  trans-72.790.7-175.626.8-34.3000111.1N366N366-P370 WeakPolarHBondContact O-CA 3.43Å; N366-P370 WeakPolarHBondContact O-CB 3.47Å; N366-P370 VanDerWaalsContact O-CD 3.29Å; N366-P370 WeakPolarHBondContact O-CD 3.29Å
371T94.7Very high97Very high50 Ų5059.7 Ų59.731%0.30730%0.297SS..  trans-98-33.5176.157.10000111.8N366 K369 K380N366-T371 PolarHBondContact OD1-N 3.41Å; N366-T371 VanDerWaalsContact OD1-N 3.1Å; K369-T371 HydrophobicContact CD-CG2 4.2Å; K369-T371 HydrophobicContact CG-CG2 4.03Å; K369-T371 PolarHBondContact O-N 3.4Å; T371-K380 PolarHBondContact O-NZ 3.31Å
372W97.4Very high97Very high30 Ų3058.6 Ų58.611%0.11429%0.293CS..  trans50.951.7-175.3-58.3108.2000112.7P142 F143 Y362 N366 K380 A381 Y383 L386P142-W372 HydrophobicContact CB-CH2 4.23Å; P142-W372 HydrophobicContact CB-CZ2 3.78Å; P142-W372 HydrophobicContact CG-CH2 4.35Å; P142-W372 HydrophobicContact CG-CZ2 3.68Å; F143-W372 AromaticContact CD2-CZ2 3.99Å; F143-W372 HydrophobicContact CD2-CZ2 3.99Å; F143-W372 AromaticContact CE2-CH2 3.86Å; F143-W372 HydrophobicContact CE2-CH2 3.86Å; F143-W372 AromaticContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CE2-CZ2 3.47Å; F143-W372 VanDerWaalsContact CE2-CZ2 3.47Å; F143-W372 HydrophobicContact CZ-CH2 4.42Å; F143-W372 HydrophobicContact CZ-CZ2 4.43Å; Y362-W372 HydrophobicContact CD1-CZ3 4.4Å; Y362-W372 AromaticContact CE1-CE3 3.77Å; Y362-W372 HydrophobicContact CE1-CE3 3.77Å; Y362-W372 AromaticContact CE1-CZ3 3.86Å; Y362-W372 HydrophobicContact CE1-CZ3 3.86Å; Y362-W372 WeakPolarHBondContact OH-CA 3.38Å; N366-W372 HydrophobicContact CB-CD2 4.23Å; N366-W372 HydrophobicContact CB-CE3 4.16Å; N366-W372 HydrophobicContact CB-CH2 3.78Å; N366-W372 HydrophobicContact CB-CZ2 3.86Å; N366-W372 HydrophobicContact CB-CZ3 3.93Å; N366-W372 WeakPolarHBondContact OD1-CA 3.36Å; N366-W372 PolarHBondContact OD1-N 3.19Å; W372-K380 WeakPolarHBondContact O-CA 3.32Å; W372-A381 PolarHBondContact O-N 2.93Å; W372-Y383 HydrophobicContact CH2-CD2 4.24Å; W372-Y383 HydrophobicContact CH2-CG 4.36Å; W372-Y383 HydrophobicContact CZ3-CD2 4.41Å; W372-L386 HydrophobicContact CZ3-CD1 4.37Å
373V98.2Very high96.9Very high43 Ų4359.5 Ų59.526%0.26130%0.296SS..BIsolated β-bridgetrans-112.5135.6178.6173.30000109.3Y362 D378Y362-V373 WeakPolarHBondContact CE2-O 3.29Å; Y362-V373 PolarHBondContact OH-N 3.5Å; Y362-V373 PolarHBondContact OH-O 3.09Å; Y362-V373 VanDerWaalsContact OH-O 3.06Å; V373-D378 HydrophobicContact CG1-CB 4.26Å; V373-D378 WeakPolarHBondContact CG1-O 3.13Å
374C98.6Very high96.8Very high0 Ų063.6 Ų63.60%032%0.316CS..  trans-72.6125.9179.3-177.80000110.9H353 V376 C377 D378 K379 A381H353-C374 PolarHBondContact NE2-SG 3.43Å; C374-V376 PolarHBondContact O-N 3.02Å; C374-V376 VanDerWaalsContact O-N 3.08Å; C374-C377 PolarHBondContact O-N 3.39Å; C374-D378 WeakPolarHBondContact O-CA 3.44Å; C374-D378 PolarHBondContact O-N 3.45Å; C374-K379 WeakPolarHBondContact CB-O 3.47Å; C374-K379 PolarHBondContact N-O 3.08Å; C374-A381 HydrophobicContact CB-CB 3.96Å
375P98.2Very high96.8Very high37 Ų3763.4 Ų63.424%0.2431%0.314CS..THydrogen-bonded Turntrans-74.65.5-178.134.9-40.8000115.1L337 F357L337-P375 HydrophobicContact CD1-CB 3.98Å; L337-P375 HydrophobicContact CD1-CG 3.79Å; L337-P375 HydrophobicContact CD2-CB 3.55Å; L337-P375 HydrophobicContact CD2-CG 4.3Å; L337-P375 HydrophobicContact CG-CB 3.49Å; L337-P375 VanDerWaalsContact CG-CB 3.49Å; L337-P375 HydrophobicContact CG-CG 3.73Å; F357-P375 HydrophobicContact CB-CG 3.74Å; F357-P375 HydrophobicContact CD1-CG 3.6Å; F357-P375 HydrophobicContact CD2-CG 4.43Å; F357-P375 HydrophobicContact CE1-CG 4.3Å; F357-P375 HydrophobicContact CG-CG 3.67Å
376V98.4Very high96.9Very high49 Ų4960.3 Ų60.330%0.29730%0.299SS..THydrogen-bonded Turntrans-112.2-26.7-180177.90000112.1P336 H353 Q355 F357 C374P336-V376 HydrophobicContact CG-CG2 3.76Å; H353-V376 HydrophobicContact CB-CG1 4.23Å; Q355-V376 HydrophobicContact CB-CG1 4.1Å; Q355-V376 HydrophobicContact CG-CG1 4.33Å; Q355-V376 HydrophobicContact CG-CG2 4.08Å; F357-V376 HydrophobicContact CD1-CG2 4.45Å; C374-V376 PolarHBondContact O-N 3.02Å; C374-V376 VanDerWaalsContact O-N 3.08Å
377C97.9Very high96.9Very high37 Ų3761.6 Ų61.625%0.2531%0.306CS..THydrogen-bonded Turntrans-145.79.6-174.166.70000114.8H353 C374 K379H353-C377 PolarHBondContact CD2-SG 3.1Å; H353-C377 PolarHBondContact NE2-SG 2.96Å; C374-C377 PolarHBondContact O-N 3.39Å; C377-K379 PolarHBondContact O-N 3.45Å
378D97.7Very high97.1Very high130 Ų13058.5 Ų58.570%0.69529%0.291SS*.  trans547.4178.4-61.3-54000117.2V373 C374V373-D378 HydrophobicContact CG1-CB 4.26Å; V373-D378 WeakPolarHBondContact CG1-O 3.13Å; C374-D378 WeakPolarHBondContact O-CA 3.44Å; C374-D378 PolarHBondContact O-N 3.45Å
379K97.8Very high97.3Very high110 Ų11049.7 Ų49.748%0.47825%0.253SS..SBendtrans-73.6155.8171.9-65.9174.5-172176.60110.7C374 C377 A381C374-K379 WeakPolarHBondContact CB-O 3.47Å; C374-K379 PolarHBondContact N-O 3.08Å; C377-K379 PolarHBondContact O-N 3.45Å; K379-A381 PolarHBondContact O-N 2.98Å
380K97Very high97.6Very high126 Ų12643.7 Ų43.755%0.54823%0.228SC..BIsolated β-bridgetrans-59.3128.6174.3-75.6-73.6-1741690111.3T371 W372T371-K380 PolarHBondContact O-NZ 3.31Å; W372-K380 WeakPolarHBondContact O-CA 3.32Å
381A98Very high97.7Very high0 Ų041.1 Ų41.10%021%0.211CC..  trans-13068.6178.100000110A348 Y362 W372 C374 K379A348-A381 HydrophobicContact CB-CB 3.74Å; Y362-A381 PolarHBondContact OH-O 3.22Å; Y362-A381 VanDerWaalsContact OH-O 3.1Å; W372-A381 PolarHBondContact O-N 2.93Å; C374-A381 HydrophobicContact CB-CB 3.96Å; K379-A381 PolarHBondContact O-N 2.98Å
382P97.1Very high97.9Very high26 Ų2638.7 Ų38.717%0.16920%0.196CC..  trans-64.4149.417930.1-35.9000111.3E384 H385 L386P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.11Å; P382-H385 HydrophobicContact CG-CB 4.14Å; P382-H385 PolarHBondContact O-N 2.88Å; P382-L386 PolarHBondContact O-N 3.12Å
383Y98.2Very high97.9Very high19 Ų1940.4 Ų40.48%0.07521%0.207CC..G310 helixtrans-52.8-34.9-176.9176.4-100.9000113.8P142 L293 R296 L297 K300 I363 W372 H385 L386P142-Y383 HydrophobicContact CB-CD1 3.92Å; P142-Y383 HydrophobicContact CB-CG 3.81Å; P142-Y383 VanDerWaalsContact CG-CB 3.46Å; P142-Y383 HydrophobicContact CG-CD1 4.3Å; P142-Y383 HydrophobicContact CG-CG 4.11Å; L293-Y383 HydrophobicContact CB-CE2 4.26Å; L293-Y383 HydrophobicContact CD2-CD1 4.02Å; L293-Y383 HydrophobicContact CD2-CD2 3.97Å; L293-Y383 HydrophobicContact CD2-CE1 3.59Å; L293-Y383 HydrophobicContact CD2-CE2 3.54Å; L293-Y383 HydrophobicContact CD2-CG 4.2Å; L293-Y383 HydrophobicContact CG-CE2 4.5Å; L293-Y383 PolarHBondContact O-OH 3.45Å; L293-Y383 VanDerWaalsContact O-OH 3.06Å; R296-Y383 VanDerWaalsContact CB-OH 3.31Å; R296-Y383 WeakPolarHBondContact CB-OH 3.39Å; L297-Y383 HydrophobicContact CB-CE2 4.23Å; L297-Y383 PolarHBondContact N-OH 3.07Å; K300-Y383 PolarHBondContact NZ-O 3.37Å; I363-Y383 HydrophobicContact CD1-CE2 4.22Å; W372-Y383 HydrophobicContact CH2-CD2 4.24Å; W372-Y383 HydrophobicContact CH2-CG 4.36Å; W372-Y383 HydrophobicContact CZ3-CD2 4.41Å; Y383-H385 PolarHBondContact O-N 2.92Å; Y383-L386 HydrophobicContact CD2-CD1 3.97Å; Y383-L386 PolarHBondContact O-N 3.45Å
384E96.3Very high97.8Very high86 Ų8641.9 Ų41.940%0.40221%0.21SC..G310 helixtrans-59.3-37.9178.6-6765.2-142.200111.3K300 P382K300-E384 PolarHBondContact NZ-O 2.74Å; K300-E384 VanDerWaalsContact NZ-O 3.13Å; P382-E384 PolarHBondContact O-N 2.64Å; P382-E384 VanDerWaalsContact O-N 3.11Å
385H97.4Very high97.7Very high78 Ų7841.9 Ų41.936%0.36121%0.211SC..G310 helixtrans-88.7-5.5-177-64.8-177.8000114.1A348 L349 P382 Y383A348-H385 CarbonylContact C-O 3.47Å; A348-H385 WeakPolarHBondContact CA-O 3.37Å; A348-H385 HydrophobicContact CB-CB 4.22Å; L349-H385 PolarHBondContact N-O 3.19Å; P382-H385 HydrophobicContact CG-CB 4.14Å; P382-H385 PolarHBondContact O-N 2.88Å; Y383-H385 PolarHBondContact O-N 2.92Å
386L98.5Very high97.7Very high1 Ų141.4 Ų41.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-67.9133.2177.7-62.7-178.9000111.1L297 A348 F357 Y362 W372 P382 Y383L297-L386 HydrophobicContact CD1-CB 3.87Å; L297-L386 WeakPolarHBondContact CD1-O 3.36Å; L297-L386 HydrophobicContact CD2-CB 4.46Å; A348-L386 HydrophobicContact CB-CD2 4.36Å; F357-L386 HydrophobicContact CE2-CD2 4.38Å; F357-L386 HydrophobicContact CZ-CD2 4.04Å; Y362-L386 HydrophobicContact CD1-CD1 3.91Å; Y362-L386 HydrophobicContact CD1-CD2 4.33Å; Y362-L386 HydrophobicContact CE1-CD1 3.93Å; Y362-L386 HydrophobicContact CE1-CD2 3.95Å; W372-L386 HydrophobicContact CZ3-CD1 4.37Å; P382-L386 PolarHBondContact O-N 3.12Å; Y383-L386 HydrophobicContact CD2-CD1 3.97Å; Y383-L386 PolarHBondContact O-N 3.45Å
387I98.5Very high97.5Very high28 Ų2846.9 Ų46.914%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-125.2154.3171.15576.8000110.7R303 C346 R347 L349 D389R303-I387 HydrophobicContact CB-CB 4.37Å; R303-I387 HydrophobicContact CB-CD1 4.4Å; C346-I387 VanDerWaalsContact CA-O 3.32Å; C346-I387 WeakPolarHBondContact CA-O 3.49Å; C346-I387 PolarHBondContact SG-O 3.37Å; R347-I387 HydrophobicContact CG-CD1 3.78Å; R347-I387 PolarHBondContact N-O 2.95Å; R347-I387 PolarHBondContact O-N 2.86Å; L349-I387 HydrophobicContact CD1-CG2 4.15Å; L349-I387 HydrophobicContact CD2-CG1 4.07Å; L349-I387 HydrophobicContact CD2-CG2 3.83Å; L349-I387 HydrophobicContact CG-CG1 4.3Å; L349-I387 HydrophobicContact CG-CG2 3.79Å; I387-D389 HydrophobicContact CD1-CB 4.46Å
388I98.7Very high97.3Very high5 Ų553.3 Ų53.33%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-93.3127.4168.1-57.7173.8000107L297 R298 I302 R303 I344 P345 G390 M393L297-I388 HydrophobicContact CG-CD1 4.35Å; L297-I388 HydrophobicContact CG-CG1 4.23Å; R298-I388 HydrophobicContact CB-CD1 4.49Å; R298-I388 HydrophobicContact CG-CD1 4Å; I302-I388 HydrophobicContact CG1-CB 4.47Å; I302-I388 HydrophobicContact CG1-CG2 4.19Å; I302-I388 HydrophobicContact CG2-CG2 4.36Å; R303-I388 VanDerWaalsContact CB-O 3.25Å; R303-I388 WeakPolarHBondContact CB-O 3.43Å; R303-I388 PolarHBondContact N-O 2.9Å; I344-I388 HydrophobicContact CG2-CD1 3.89Å; I344-I388 HydrophobicContact CG2-CG1 3.94Å; I344-I388 HydrophobicContact CG2-CG2 4.17Å; P345-I388 WeakPolarHBondContact O-CA 3.37Å; I388-G390 PolarHBondContact O-N 3.13Å; I388-M393 HydrophobicContact CG2-CG 3.82Å; I388-M393 HydrophobicContact CG2-SD 4.09Å
389D98.5Very high97.1Very high0 Ų047.3 Ų47.30%021%0.214CC..EExtended strand (participates in β ladder)trans-86112.1-173.1-159.4-63.1000111.7S308 P345 R347 I387 L391 F392 M393S308-D389 PolarHBondContact OG-OD1 2.92Å; S308-D389 PolarHBondContact OG-OD2 3.22Å; P345-D389 PolarHBondContact O-N 2.87Å; R347-D389 IonicContact CZ-OD2 3.04Å; R347-D389 IonicContact NE-OD2 3.32Å; R347-D389 PolarHBondContact NE-OD2 2.73Å; R347-D389 IonicContact NH2-OD2 2.72Å; R347-D389 PolarHBondContact NH2-OD2 2.82Å; I387-D389 HydrophobicContact CD1-CB 4.46Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.04Å; D389-L391 PolarHBondContact OD1-N 2.81Å; D389-F392 HydrophobicContact CB-CB 4.32Å; D389-F392 HydrophobicContact CB-CD2 4.26Å; D389-F392 PolarHBondContact O-N 2.91Å; D389-M393 WeakPolarHBondContact O-CG 3.41Å; D389-M393 PolarHBondContact O-N 2.83Å
390G97.9Very high96.8Very high4 Ų447 Ų474%0.04122%0.222CC..Hα-helixtrans-62.9-32.7-176.800000114.3R303 I388 M393 E394R303-G390 WeakPolarHBondContact O-CA 3.48Å; R303-G390 PolarHBondContact O-N 3Å; I388-G390 PolarHBondContact O-N 3.13Å; G390-M393 WeakPolarHBondContact O-CB 3.41Å; G390-M393 PolarHBondContact O-N 2.88Å; G390-E394 WeakPolarHBondContact O-CG 3.2Å; G390-E394 PolarHBondContact O-N 3.02Å
391L97Very high96.5Very high4 Ų445.7 Ų45.72%0.02122%0.22CC..Hα-helixtrans-71.4-41.4-179.8-178.162.2000110.8P305 R309 I312 D389 E394 I395 F407P305-L391 HydrophobicContact CB-CB 3.94Å; P305-L391 HydrophobicContact CB-CD1 4.42Å; R309-L391 HydrophobicContact CG-CD1 4.32Å; R309-L391 HydrophobicContact CG-CD2 4.11Å; I312-L391 HydrophobicContact CD1-CD2 3.43Å; I312-L391 VanDerWaalsContact CD1-CD2 3.43Å; D389-L391 VanDerWaalsContact C-N 3.3Å; D389-L391 PolarHBondContact O-N 3.04Å; D389-L391 PolarHBondContact OD1-N 2.81Å; L391-E394 PolarHBondContact O-N 3.48Å; L391-I395 HydrophobicContact CD1-CD1 4.02Å; L391-I395 HydrophobicContact CD1-CG1 4.5Å; L391-I395 HydrophobicContact CG-CD1 3.81Å; L391-I395 WeakPolarHBondContact O-CB 3.31Å; L391-I395 WeakPolarHBondContact O-CD1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.17Å; L391-F407 HydrophobicContact CD2-CE1 3.87Å; L391-F407 HydrophobicContact CD2-CZ 3.97Å; L391-F407 HydrophobicContact CG-CE1 4.43Å; L391-F407 HydrophobicContact CG-CZ 4.45Å
392F97.8Very high96.3Very high0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-67.7-35.1172.4-80.2-104.3000112V331 L333 L342 P345 L354 C356 D389 E394 I395 L396V331-F392 HydrophobicContact CB-CE1 4.44Å; V331-F392 HydrophobicContact CB-CZ 4.14Å; V331-F392 HydrophobicContact CG1-CZ 4.35Å; V331-F392 HydrophobicContact CG2-CE1 3.93Å; V331-F392 HydrophobicContact CG2-CZ 3.74Å; L333-F392 HydrophobicContact CD2-CD1 4.05Å; L333-F392 HydrophobicContact CD2-CE1 4.26Å; L342-F392 HydrophobicContact CD1-CD1 4.2Å; P345-F392 HydrophobicContact CB-CB 3.41Å; P345-F392 VanDerWaalsContact CB-CB 3.41Å; P345-F392 HydrophobicContact CB-CD1 4.49Å; P345-F392 HydrophobicContact CB-CG 4.16Å; P345-F392 HydrophobicContact CG-CB 3.57Å; L354-F392 HydrophobicContact CD1-CE2 4.04Å; L354-F392 HydrophobicContact CG-CE2 3.94Å; L354-F392 HydrophobicContact CG-CZ 4.23Å; L354-F392 VanDerWaalsContact O-CE2 3.27Å; L354-F392 WeakPolarHBondContact O-CE2 3.5Å; L354-F392 WeakPolarHBondContact O-CZ 3.25Å; C356-F392 HydrophobicContact CB-CD1 4.29Å; C356-F392 HydrophobicContact CB-CE1 4.39Å; C356-F392 HydrophobicContact CB-CG 4.42Å; D389-F392 HydrophobicContact CB-CB 4.32Å; D389-F392 HydrophobicContact CB-CD2 4.26Å; D389-F392 PolarHBondContact O-N 2.91Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.92Å; F392-I395 PolarHBondContact O-N 3.49Å; F392-L396 VanDerWaalsContact O-CB 3.29Å; F392-L396 WeakPolarHBondContact O-CB 3.12Å; F392-L396 WeakPolarHBondContact O-CD1 3.29Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 3.26Å
393M97.4Very high96.2Very high66 Ų6648.6 Ų48.633%0.32524%0.235SC..Hα-helixtrans-60.1-43173.2-76.9-67.3-57.700112I302 P345 I388 D389 G390 K397I302-M393 HydrophobicContact CD1-CE 4.23Å; I302-M393 HydrophobicContact CD1-CG 4.37Å; I302-M393 HydrophobicContact CG2-CG 4.27Å; P345-M393 WeakPolarHBondContact CD-SD 3.43Å; P345-M393 HydrophobicContact CG-CG 3.83Å; P345-M393 HydrophobicContact CG-SD 3.9Å; I388-M393 HydrophobicContact CG2-CG 3.82Å; I388-M393 HydrophobicContact CG2-SD 4.09Å; D389-M393 WeakPolarHBondContact O-CG 3.41Å; D389-M393 PolarHBondContact O-N 2.83Å; G390-M393 WeakPolarHBondContact O-CB 3.41Å; G390-M393 PolarHBondContact O-N 2.88Å; M393-K397 PolarHBondContact O-N 3.15Å
394E96.6Very high96.1Very high73 Ų7350.9 Ų50.934%0.34125%0.247SC..Hα-helixtrans-62-52.3173.1-73.7172-178.900110.8P305 R309 G390 L391 F392 L396 K397 Y398P305-E394 WeakPolarHBondContact CG-OE1 3.4Å; R309-E394 IonicContact CZ-OE2 2.65Å; R309-E394 IonicContact NH2-OE2 2.67Å; R309-E394 PolarHBondContact NH2-OE2 2.72Å; G390-E394 WeakPolarHBondContact O-CG 3.2Å; G390-E394 PolarHBondContact O-N 3.02Å; L391-E394 PolarHBondContact O-N 3.48Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 2.92Å; E394-L396 PolarHBondContact O-N 2.98Å; E394-K397 WeakPolarHBondContact O-CB 3.41Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-K397 VanDerWaalsContact O-N 3.08Å; E394-Y398 WeakPolarHBondContact O-CD2 3.33Å; E394-Y398 PolarHBondContact O-N 2.65Å
395I97Very high96.1Very high1 Ų146.8 Ų46.81%0.00523%0.228CC..Hα-helixtrans-62.2-42.3-175.9-68.3164.5000111.9L333 L391 F392 K397 Y398 C399 I405 F407 W413L333-I395 HydrophobicContact CD1-CG2 3.98Å; L333-I395 HydrophobicContact CD2-CG2 3.86Å; L391-I395 HydrophobicContact CD1-CD1 4.02Å; L391-I395 HydrophobicContact CD1-CG1 4.5Å; L391-I395 HydrophobicContact CG-CD1 3.81Å; L391-I395 WeakPolarHBondContact O-CB 3.31Å; L391-I395 WeakPolarHBondContact O-CD1 3.23Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.17Å; F392-I395 PolarHBondContact O-N 3.49Å; I395-K397 PolarHBondContact O-N 2.9Å; I395-Y398 PolarHBondContact O-N 3.17Å; I395-C399 HydrophobicContact CG2-CB 4.35Å; I395-C399 VanDerWaalsContact O-CB 3.31Å; I395-C399 WeakPolarHBondContact O-CB 3.4Å; I395-C399 PolarHBondContact O-N 2.88Å; I395-I405 HydrophobicContact CD1-CD1 3.77Å; I395-I405 HydrophobicContact CG2-CD1 3.98Å; I395-I405 HydrophobicContact CG2-CG2 4.3Å; I395-F407 HydrophobicContact CD1-CE1 3.73Å; I395-F407 HydrophobicContact CD1-CZ 3.52Å; I395-W413 HydrophobicContact CD1-CD2 4.41Å; I395-W413 HydrophobicContact CD1-CG 4.27Å; I395-W413 HydrophobicContact CG1-CD2 4.11Å; I395-W413 HydrophobicContact CG1-CG 4.4Å; I395-W413 HydrophobicContact CG1-CZ2 4.08Å; I395-W413 HydrophobicContact CG2-CE3 4.32Å; I395-W413 HydrophobicContact CG2-CH2 4.29Å; I395-W413 HydrophobicContact CG2-CZ2 4.46Å; I395-W413 HydrophobicContact CG2-CZ3 4.21Å
396L97Very high96.1Very high26 Ų2645.9 Ų45.914%0.13622%0.223CC..Hα-helixtrans-65.7-21.9177.6-71.5163.4000113.2L333 R341 L342 P345 F392 E394L333-L396 HydrophobicContact CB-CD2 3.93Å; L333-L396 HydrophobicContact CD1-CD2 4.45Å; L333-L396 HydrophobicContact CD2-CD2 4.15Å; L333-L396 HydrophobicContact CD2-CG 4.48Å; L333-L396 HydrophobicContact CG-CD2 4.4Å; R341-L396 HydrophobicContact CG-CD2 4.17Å; L342-L396 HydrophobicContact CB-CD1 3.65Å; L342-L396 HydrophobicContact CB-CD2 4.1Å; P345-L396 HydrophobicContact CB-CD1 4.07Å; P345-L396 HydrophobicContact CG-CD1 3.78Å; F392-L396 VanDerWaalsContact O-CB 3.29Å; F392-L396 WeakPolarHBondContact O-CB 3.12Å; F392-L396 WeakPolarHBondContact O-CD1 3.29Å; F392-L396 WeakPolarHBondContact O-CG 3.42Å; F392-L396 PolarHBondContact O-N 3.26Å; E394-L396 PolarHBondContact O-N 2.98Å
397K95.5Very high95.9Very high164 Ų16445.9 Ų45.971%0.71322%0.223SC*.Hα-helixtrans-78.9-35.7173.6-175.6-174.8175.5-173.40112.2M393 E394 I395M393-K397 PolarHBondContact O-N 3.15Å; E394-K397 WeakPolarHBondContact O-CB 3.41Å; E394-K397 PolarHBondContact O-N 3.07Å; E394-K397 VanDerWaalsContact O-N 3.08Å; I395-K397 PolarHBondContact O-N 2.9Å
398Y93.7Very high95.6Very high172 Ų17249 Ų4968%0.67524%0.236SC*.Hα-helixtrans-90.3-38.9-177.8-70.7-69000113.6E394 I395E394-Y398 WeakPolarHBondContact O-CD2 3.33Å; E394-Y398 PolarHBondContact O-N 2.65Å; I395-Y398 PolarHBondContact O-N 3.17Å
399C92.4Very high94.8Very high4 Ų455.3 Ų55.33%0.02727%0.265CS..  trans-97.5112.1177.8-176.10000108.9L333 R341 I395 W413L333-C399 HydrophobicContact CD1-CB 4.05Å; R341-C399 PolarHBondContact NH2-O 2.87Å; I395-C399 HydrophobicContact CG2-CB 4.35Å; I395-C399 VanDerWaalsContact O-CB 3.31Å; I395-C399 WeakPolarHBondContact O-CB 3.4Å; I395-C399 PolarHBondContact O-N 2.88Å; C399-W413 HydrophobicContact CB-CH2 3.96Å; C399-W413 HydrophobicContact CB-CZ3 3.92Å
400T92.6Very high94Very high105 Ų10560.8 Ų60.864%0.64429%0.294SS*.  trans-114.7-18.6179.152.50000113.3
401D91.3Very high93.1Very high97 Ų9762.1 Ų62.152%0.51931%0.308SS..SBendtrans-114.34-166.670.2-23.9000114.3R417D401-R417 VanDerWaalsContact CG-NH2 3.32Å; D401-R417 IonicContact OD1-CZ 3.57Å; D401-R417 IonicContact OD1-NH1 3.76Å; D401-R417 IonicContact OD1-NH2 3.46Å; D401-R417 PolarHBondContact OD1-NH2 3.17Å; D401-R417 VanDerWaalsContact OD1-NH2 3.16Å; D401-R417 IonicContact OD2-CZ 2.7Å; D401-R417 IonicContact OD2-NH1 3.32Å; D401-R417 PolarHBondContact OD2-NH1 3.43Å; D401-R417 IonicContact OD2-NH2 2.7Å; D401-R417 PolarHBondContact OD2-NH2 3.21Å
402C92.6Very high92.8Very high8 Ų865 Ų655%0.05433%0.326CS..  trans-130.9145.5177.1-54.30000111.3R341 P415 R417R341-C402 PolarHBondContact NH1-O 2.97Å; R341-C402 PolarHBondContact NH2-O 3.25Å; C402-P415 HydrophobicContact CB-CB 3.79Å; C402-P415 WeakPolarHBondContact SG-CB 3.32Å; C402-R417 VanDerWaalsContact SG-CZ 3.53Å
403D95.5Very high92.7Very high80 Ų8068.8 Ų68.843%0.42834%0.341SS..SBendtrans-101.4-11-176.7-73.2-23.1000114.1S332 L333 L334 R341S332-D403 CarbonylContact C-O 3.51Å; S332-D403 WeakPolarHBondContact CA-O 3.4Å; S332-D403 PolarHBondContact OG-O 2.93Å; L333-D403 PolarHBondContact N-O 3.39Å; L334-D403 HydrophobicContact CD1-CB 3.96Å; L334-D403 HydrophobicContact CD2-CB 4.27Å; L334-D403 WeakPolarHBondContact CD2-OD1 3.26Å; L334-D403 HydrophobicContact CG-CB 3.87Å; R341-D403 IonicContact NH1-OD1 2.72Å; R341-D403 PolarHBondContact NH1-OD1 3.18Å
404E96.6Very high92.5Very high67 Ų6767.2 Ų67.231%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-131.2150.7172.1-75.4-168.7-166.600111.4R330 V331 M416R330-E404 IonicContact CZ-OE2 3.16Å; R330-E404 IonicContact NE-OE2 3.97Å; R330-E404 PolarHBondContact NE-OE2 3.11Å; R330-E404 IonicContact NH2-OE1 3.81Å; R330-E404 IonicContact NH2-OE2 2.72Å; R330-E404 PolarHBondContact NH2-OE2 2.67Å; V331-E404 WeakPolarHBondContact O-CA 3.25Å; E404-M416 HydrophobicContact CB-CB 3.9Å; E404-M416 HydrophobicContact CB-CG 4.39Å; E404-M416 HydrophobicContact CB-SD 4.46Å; E404-M416 PolarHBondContact O-N 2.82Å
405I96.5Very high92.4Very high0 Ų066 Ų660%034%0.337CS..EExtended strand (participates in β ladder)trans-134.1153.8172.155.7146.6000110.3R330 V331 L333 I395 F407 W413 A414R330-I405 WeakPolarHBondContact CA-O 3.49Å; V331-I405 HydrophobicContact CG2-CD1 3.75Å; V331-I405 HydrophobicContact CG2-CG1 3.53Å; V331-I405 PolarHBondContact N-O 2.93Å; V331-I405 PolarHBondContact O-N 2.93Å; L333-I405 HydrophobicContact CD1-CG2 3.9Å; L333-I405 HydrophobicContact CD2-CG1 4.23Å; L333-I405 HydrophobicContact CG-CG1 4.44Å; L333-I405 HydrophobicContact CG-CG2 4.37Å; I395-I405 HydrophobicContact CD1-CD1 3.77Å; I395-I405 HydrophobicContact CG2-CD1 3.98Å; I395-I405 HydrophobicContact CG2-CG2 4.3Å; I405-F407 HydrophobicContact CD1-CD2 4.23Å; I405-F407 HydrophobicContact CD1-CE1 4.12Å; I405-F407 HydrophobicContact CD1-CE2 3.53Å; I405-F407 HydrophobicContact CD1-CZ 3.47Å; I405-F407 VanDerWaalsContact CD1-CZ 3.47Å; I405-W413 HydrophobicContact CB-CE3 4.38Å; I405-W413 HydrophobicContact CD1-CB 4.38Å; I405-W413 HydrophobicContact CG2-CE3 3.83Å; I405-W413 HydrophobicContact CG2-CZ3 4.12Å; I405-A414 CarbonylContact C-O 3.58Å; I405-A414 WeakPolarHBondContact CA-O 3.33Å
406Q96.1Very high92.1Very high59 Ų5969 Ų6928%0.27635%0.351SS..EExtended strand (participates in β ladder)trans-117.9120.1176.4-174.9-178.53900109.5S328 L329 R330 W413 A414 M416S328-Q406 PolarHBondContact OG-NE2 3.3Å; L329-Q406 WeakPolarHBondContact O-CA 3.27Å; R330-Q406 HydrophobicContact CG-CG 4.49Å; Q406-W413 CarbonylContact O-C 3.52Å; Q406-W413 VanDerWaalsContact O-CA 3.25Å; Q406-W413 WeakPolarHBondContact O-CA 3.49Å; Q406-A414 PolarHBondContact N-O 2.95Å; Q406-A414 PolarHBondContact O-N 2.92Å; Q406-M416 HydrophobicContact CB-CG 3.86Å; Q406-M416 HydrophobicContact CB-SD 4Å
407F95.5Very high91.5Very high1 Ų175 Ų750%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-84.4143168.8-66.1-78.1000111.1I312 S328 L329 V331 L354 L391 I395 I405 T412 W413I312-F407 HydrophobicContact CD1-CD1 3.56Å; I312-F407 HydrophobicContact CD1-CD2 4.02Å; I312-F407 HydrophobicContact CD1-CE1 3.55Å; I312-F407 HydrophobicContact CD1-CE2 3.99Å; I312-F407 HydrophobicContact CD1-CG 3.8Å; I312-F407 HydrophobicContact CD1-CZ 3.76Å; I312-F407 HydrophobicContact CG1-CD1 4.45Å; I312-F407 HydrophobicContact CG1-CD2 4.34Å; I312-F407 HydrophobicContact CG1-CG 4.24Å; I312-F407 HydrophobicContact CG2-CB 3.94Å; I312-F407 HydrophobicContact CG2-CG 4.33Å; S328-F407 CarbonylContact C-O 3.57Å; S328-F407 VanDerWaalsContact CA-O 3.23Å; S328-F407 WeakPolarHBondContact CA-O 3.4Å; S328-F407 VanDerWaalsContact CB-O 3.31Å; S328-F407 WeakPolarHBondContact CB-O 3.45Å; L329-F407 HydrophobicContact CB-CB 4.32Å; L329-F407 PolarHBondContact N-O 3.32Å; L329-F407 PolarHBondContact O-N 3.46Å; V331-F407 HydrophobicContact CG2-CD2 4.26Å; V331-F407 HydrophobicContact CG2-CE2 3.66Å; L354-F407 HydrophobicContact CD2-CD2 3.66Å; L354-F407 HydrophobicContact CD2-CE2 3.52Å; L354-F407 HydrophobicContact CD2-CZ 4.42Å; L354-F407 HydrophobicContact CG-CE2 4.45Å; L391-F407 HydrophobicContact CD2-CE1 3.87Å; L391-F407 HydrophobicContact CD2-CZ 3.97Å; L391-F407 HydrophobicContact CG-CE1 4.43Å; L391-F407 HydrophobicContact CG-CZ 4.45Å; I395-F407 HydrophobicContact CD1-CE1 3.73Å; I395-F407 HydrophobicContact CD1-CZ 3.52Å; I405-F407 HydrophobicContact CD1-CD2 4.23Å; I405-F407 HydrophobicContact CD1-CE1 4.12Å; I405-F407 HydrophobicContact CD1-CE2 3.53Å; I405-F407 HydrophobicContact CD1-CZ 3.47Å; I405-F407 VanDerWaalsContact CD1-CZ 3.47Å; F407-T412 WeakPolarHBondContact CA-O 3.28Å; F407-W413 HydrophobicContact CD1-CB 3.66Å; F407-W413 HydrophobicContact CE1-CB 3.81Å; F407-W413 HydrophobicContact CE1-CG 4.29Å; F407-W413 HydrophobicContact CG-CB 4.42Å
408K90.8Very high90.1Very high94 Ų9472.7 Ų72.741%0.40938%0.377SS..EExtended strand (participates in β ladder)trans-110.7166.4176.2-62.2179.9-175.3177.90111.1L316 D410 G411 T412L316-K408 WeakPolarHBondContact CD1-O 3.29Å; K408-D410 WeakPolarHBondContact CB-OD1 3.3Å; K408-D410 PolarHBondContact O-N 3.27Å; K408-G411 PolarHBondContact O-N 2.89Å; K408-T412 PolarHBondContact N-O 3.32Å
409E83.6Confident88.4Confident136 Ų13671.9 Ų71.964%0.63638%0.376SS*.THydrogen-bonded Turntrans-59.8-32.5-176.8-168.6-172.6167.900113.2L316 G411L316-E409 HydrophobicContact CB-CG 4.43Å; E409-G411 PolarHBondContact O-N 3.19Å; E409-G411 VanDerWaalsContact O-N 3.17Å
410D81.3Confident86.5Confident115 Ų11580.7 Ų80.762%0.61541%0.414SS*.THydrogen-bonded Turntrans-69.6-3.7174.765.13.5000114.1K408 T412K408-D410 WeakPolarHBondContact CB-OD1 3.3Å; K408-D410 PolarHBondContact O-N 3.27Å; D410-T412 VanDerWaalsContact C-N 3.27Å; D410-T412 VanDerWaalsContact CG-OG1 3.3Å; D410-T412 PolarHBondContact O-N 2.84Å; D410-T412 VanDerWaalsContact OD1-CB 3.26Å; D410-T412 WeakPolarHBondContact OD1-CB 3.44Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.35Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 2.85Å; D410-T412 WeakPolarHBondContact OD2-CG2 3.49Å; D410-T412 PolarHBondContact OD2-OG1 3.48Å
411G79.2Confident84.4Confident32 Ų3282 Ų8233%0.3341%0.413SS..SBendtrans80.91.4-176.900000114.3K408 E409K408-G411 PolarHBondContact O-N 2.89Å; E409-G411 PolarHBondContact O-N 3.19Å; E409-G411 VanDerWaalsContact O-N 3.17Å
412T90.3Very high82.3Confident65 Ų6582.7 Ų82.740%0.39942%0.421SS..  trans-72.8161.217069.30000110.8F407 K408 D410F407-T412 WeakPolarHBondContact CA-O 3.28Å; K408-T412 PolarHBondContact N-O 3.32Å; D410-T412 VanDerWaalsContact C-N 3.27Å; D410-T412 VanDerWaalsContact CG-OG1 3.3Å; D410-T412 PolarHBondContact O-N 2.84Å; D410-T412 VanDerWaalsContact OD1-CB 3.26Å; D410-T412 WeakPolarHBondContact OD1-CB 3.44Å; D410-T412 WeakPolarHBondContact OD1-CG2 3.35Å; D410-T412 PolarHBondContact OD1-N 3.5Å; D410-T412 PolarHBondContact OD1-OG1 2.85Å; D410-T412 WeakPolarHBondContact OD2-CG2 3.49Å; D410-T412 PolarHBondContact OD2-OG1 3.48Å
413W94.5Very high80Confident80 Ų8090 Ų9030%0.30345%0.454SS..EExtended strand (participates in β ladder)trans-133.6148.5174.260.4-86.6000110.2I395 C399 I405 Q406 F407 P415I395-W413 HydrophobicContact CD1-CD2 4.41Å; I395-W413 HydrophobicContact CD1-CG 4.27Å; I395-W413 HydrophobicContact CG1-CD2 4.11Å; I395-W413 HydrophobicContact CG1-CG 4.4Å; I395-W413 HydrophobicContact CG1-CZ2 4.08Å; I395-W413 HydrophobicContact CG2-CE3 4.32Å; I395-W413 HydrophobicContact CG2-CH2 4.29Å; I395-W413 HydrophobicContact CG2-CZ2 4.46Å; I395-W413 HydrophobicContact CG2-CZ3 4.21Å; C399-W413 HydrophobicContact CB-CH2 3.96Å; C399-W413 HydrophobicContact CB-CZ3 3.92Å; I405-W413 HydrophobicContact CB-CE3 4.38Å; I405-W413 HydrophobicContact CD1-CB 4.38Å; I405-W413 HydrophobicContact CG2-CE3 3.83Å; I405-W413 HydrophobicContact CG2-CZ3 4.12Å; Q406-W413 CarbonylContact O-C 3.52Å; Q406-W413 VanDerWaalsContact O-CA 3.25Å; Q406-W413 WeakPolarHBondContact O-CA 3.49Å; F407-W413 HydrophobicContact CD1-CB 3.66Å; F407-W413 HydrophobicContact CE1-CB 3.81Å; F407-W413 HydrophobicContact CE1-CG 4.29Å; F407-W413 HydrophobicContact CG-CB 4.42Å; W413-P415 HydrophobicContact CZ3-CG 4.16Å
414A94Very high77.8Confident32 Ų3294.2 Ų94.226%0.26447%0.471SS..EExtended strand (participates in β ladder)trans-127.9142174.500000110.1I405 Q406I405-A414 CarbonylContact C-O 3.58Å; I405-A414 WeakPolarHBondContact CA-O 3.33Å; Q406-A414 PolarHBondContact N-O 2.95Å; Q406-A414 PolarHBondContact O-N 2.92Å
415P94.3Very high75.4Confident49 Ų4996.9 Ų96.932%0.31849%0.492SS..EExtended strand (participates in β ladder)trans-64.1133.2169.5-14.727.5000111.2C402 W413 R417C402-P415 HydrophobicContact CB-CB 3.79Å; C402-P415 WeakPolarHBondContact SG-CB 3.32Å; W413-P415 HydrophobicContact CZ3-CG 4.16Å; P415-R417 PolarHBondContact O-N 3.02Å; P415-R417 VanDerWaalsContact O-N 3.13Å
416M90.7Very high73Confident62 Ų62102.3 Ų102.331%0.30553%0.53SS..  trans-83.788.6173.9-67.4-163.170.100109.7R330 E404 Q406R330-M416 HydrophobicContact CB-SD 4.24Å; R330-M416 HydrophobicContact CG-CE 4.36Å; R330-M416 HydrophobicContact CG-SD 3.59Å; R330-M416 VanDerWaalsContact CG-SD 3.59Å; R330-M416 PolarHBondContact NE-SD 3.46Å; E404-M416 HydrophobicContact CB-CB 3.9Å; E404-M416 HydrophobicContact CB-CG 4.39Å; E404-M416 HydrophobicContact CB-SD 4.46Å; E404-M416 PolarHBondContact O-N 2.82Å; Q406-M416 HydrophobicContact CB-CG 3.86Å; Q406-M416 HydrophobicContact CB-SD 4Å
417R83.6Confident70.4Confident152 Ų152103.9 Ų103.957%0.57455%0.553SS**  trans-84.5120.9167.9-60.3179.2-168.8-90.5-6.1107.6D401 C402 P415 K419D401-R417 VanDerWaalsContact CG-NH2 3.32Å; D401-R417 IonicContact OD1-CZ 3.57Å; D401-R417 IonicContact OD1-NH1 3.76Å; D401-R417 IonicContact OD1-NH2 3.46Å; D401-R417 PolarHBondContact OD1-NH2 3.17Å; D401-R417 VanDerWaalsContact OD1-NH2 3.16Å; D401-R417 IonicContact OD2-CZ 2.7Å; D401-R417 IonicContact OD2-NH1 3.32Å; D401-R417 PolarHBondContact OD2-NH1 3.43Å; D401-R417 IonicContact OD2-NH2 2.7Å; D401-R417 PolarHBondContact OD2-NH2 3.21Å; C402-R417 VanDerWaalsContact SG-CZ 3.53Å; P415-R417 PolarHBondContact O-N 3.02Å; P415-R417 VanDerWaalsContact O-N 3.13Å; R417-K419 PolarHBondContact O-N 2.76Å
418S67.2Low68.2Low117 Ų117109 Ų10982%0.81859%0.589SS**  trans-60.1109.4170.245.30000108.5K420S418-K420 PolarHBondContact O-N 2.82Å
419K58.2Low65.9Low154 Ų154114.2 Ų114.267%0.6761%0.608SS**  trans-71.786.6175.2-167.2-167-179.9-159.80107.4R417 E421R417-K419 PolarHBondContact O-N 2.76Å; K419-E421 HydrophobicContact CD-CB 4.38Å; K419-E421 VanDerWaalsContact CE-CD 3.47Å; K419-E421 WeakPolarHBondContact CE-OE1 3.46Å; K419-E421 WeakPolarHBondContact CE-OE2 3.4Å; K419-E421 HydrophobicContact CG-CB 4.31Å; K419-E421 IonicContact NZ-OE1 2.76Å; K419-E421 PolarHBondContact NZ-OE1 3.31Å; K419-E421 IonicContact NZ-OE2 3.78Å; K419-E421 PolarHBondContact NZ-OE2 3.27Å; K419-E421 PolarHBondContact O-N 3.25Å
420K52.6Low64Low190 Ų190115.7 Ų115.783%0.82662%0.62SS**  trans-7272.2168.9-162.1176.6-171.3179.80108S418 V422S418-K420 PolarHBondContact O-N 2.82Å; K420-V422 VanDerWaalsContact C-N 3.3Å; K420-V422 PolarHBondContact O-N 2.75Å
421E48.2Very low62.2Low131 Ų131113.7 Ų113.761%0.61263%0.627SS**  trans-69.992174.5-173.1150-128.400107.7K419 Q423K419-E421 HydrophobicContact CD-CB 4.38Å; K419-E421 VanDerWaalsContact CE-CD 3.47Å; K419-E421 WeakPolarHBondContact CE-OE1 3.46Å; K419-E421 WeakPolarHBondContact CE-OE2 3.4Å; K419-E421 HydrophobicContact CG-CB 4.31Å; K419-E421 IonicContact NZ-OE1 2.76Å; K419-E421 PolarHBondContact NZ-OE1 3.31Å; K419-E421 IonicContact NZ-OE2 3.78Å; K419-E421 PolarHBondContact NZ-OE2 3.27Å; K419-E421 PolarHBondContact O-N 3.25Å; E421-Q423 PolarHBondContact O-N 3.24Å
422V47.7Very low60.7Low113 Ų113118.3 Ų118.369%0.68565%0.648SS**  trans-68.689.9164.7-179.50000105.9K420 E424K420-V422 VanDerWaalsContact C-N 3.3Å; K420-V422 PolarHBondContact O-N 2.75Å; V422-E424 HydrophobicContact CG1-CG 4.47Å; V422-E424 PolarHBondContact O-N 3.33Å
423Q44.5Very low58.5Low161 Ų161122.6 Ų122.675%0.75267%0.669SS**  trans-71.796169.9-172.3169.220.300107.4E421 V425E421-Q423 PolarHBondContact O-N 3.24Å; Q423-V425 VanDerWaalsContact C-N 3.34Å; Q423-V425 PolarHBondContact O-N 3.44Å
424E49.4Very low56Low168 Ų168122.4 Ų122.479%0.78569%0.691SS**  trans-62.796.2168.6-76.1-172.1144.500109.1V422 S426V422-E424 HydrophobicContact CG1-CG 4.47Å; V422-E424 PolarHBondContact O-N 3.33Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.18Å
425V46.2Very low53.5Low124 Ų124126.1 Ų126.175%0.75271%0.714SS**  trans-7192.5168-179.30000107.5Q423 A427Q423-V425 VanDerWaalsContact C-N 3.34Å; Q423-V425 PolarHBondContact O-N 3.44Å; V425-A427 VanDerWaalsContact C-N 3.34Å; V425-A427 PolarHBondContact O-N 2.69Å
426S44.5Very low51.1Low114 Ų114131.2 Ų131.280%0.79774%0.738SS**  trans-74.686.9175.220.20000109.8E424 S428E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 3.18Å; S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 2.85Å
427A41.3Very low48.7Very low91 Ų91133.1 Ų133.175%0.75276%0.757SS**  trans-71.282.5174.100000111.3V425V425-A427 VanDerWaalsContact C-N 3.34Å; V425-A427 PolarHBondContact O-N 2.69Å
428S49.6Very low46.7Very low110 Ų110130.8 Ų130.877%0.76976%0.764SS**  trans-84.8111.1164.7-169.40000109.7S426S426-S428 VanDerWaalsContact C-N 3.32Å; S426-S428 PolarHBondContact O-N 2.85Å
429Y43.8Very low45.6Very low203 Ų203130.3 Ų130.380%0.79676%0.757SS**  trans-69157.3176.154-88000111.9
430N42.3Very low45.1Very low166 Ų166129.7 Ų129.789%0.88876%0.76SS**  trans-66131.3-179.3-68.3-42000112.3
431G44.8Very low44.5Very low74 Ų74127.3 Ų127.376%0.76375%0.751SS**  trans-128.8132.5162.500000108.9
432V46.6Very low44.3Very low128 Ų128129 Ų12978%0.77676%0.759SS**  trans-88.8169.8-168-700000114
433D44.9Very low44Very low156 Ų156132.1 Ų132.183%0.83477%0.766SS**  trans93.2130.2159.2-56.3-31000120.9
434G41.3Very low43.8Very low75 Ų75131 Ų13177%0.77377%0.77SS**  trans90.795.315300000117.2
435C42.4Very low43.2Very low111 Ų111127.2 Ų127.275%0.7577%0.768SS**  100.592.760.4179.90000115
436L43Very low43.1Very low155 Ų155127.2 Ų127.281%0.81277%0.773SS**  trans77.2148.7140.7-61.5178.4000123.9
437S40Very low43Very low103 Ų103129.4 Ų129.472%0.7277%0.771SS**  trans83.4104.9155.9-63.60000118
438S42.4Very low43.1Very low102 Ų102134.4 Ų134.471%0.71378%0.778SS**  94.4140.576.275.80000111.3
439T42.9Very low42.7Very low108 Ų108137.4 Ų137.466%0.66378%0.78SS**  cis-172.4166.79.3-5.90000109.7
440L48.2Very low42.7Very low141 Ų141133.5 Ų133.574%0.73878%0.782SS**  trans65.7144.8149.2-65.8162.5000117.3
441E41.4Very low42.6Very low139 Ų139130.6 Ų130.665%0.6578%0.775SS**  cis-152166.9-4.8-84.2141.1-171.300106.3
442H42.1Very low42.5Very low168 Ų168134.6 Ų134.678%0.77878%0.779SS**  -163.7157.851.3-111.192.2000112
443Q41.4Very low42.3Very low177 Ų177138.3 Ų138.383%0.82779%0.785SS**  trans-78.1173.8174.1-59.5167.77.100110.2
444V40.6Very low42.4Very low137 Ų137138.5 Ų138.583%0.8379%0.785SS**  -163.2153.956.4169.60000110.5
445A37.9Very low43Very low90 Ų90144.4 Ų144.474%0.74479%0.79SS**  trans-95.8164.6-176.200000115
446S42.7Very low43.4Very low124 Ų124148.7 Ų148.787%0.86780%0.796SS**  trans-156140.6136.957.60000112.6
447H43Very low44.4Very low160 Ų160147.2 Ų147.274%0.74179%0.793SS**  trans-78.4150174.7-95.4-94.7000111.2
448H42.8Very low45.7Very low196 Ų196150.1 Ų150.191%0.90780%0.795SS**  -157.7141.2122.3-109.7-73.4000111.9
449Q41.9Very low47.1Very low172 Ų172151.4 Ų151.480%0.80480%0.799SS**  trans-85.7140.5-177-63.2167.5-4.500111.4
450S43.1Very low48.6Very low121 Ų121152.4 Ų152.485%0.84680%0.798SS**  trans-146.6124.2148.8-172.50000109.5
451S40.2Very low49.8Very low105 Ų105150.1 Ų150.173%0.73479%0.787SS**  trans-86130.3-175.656.10000111.6
452N43.9Very low51Low159 Ų159150.8 Ų150.885%0.8579%0.794SS**  trans-140.8128.5153.1-102.5-29.6000110.9N454N452-N454 PolarHBondContact O-N 3.28Å
453K41.8Very low52.1Low206 Ų206147.5 Ų147.590%0.89679%0.786SS**  trans-85.696.9-173.3-68.3175.1177.91750110.4
454N47.6Very low52.8Low159 Ų159145.1 Ų145.185%0.8578%0.778SS**  trans-88.1117.6163-77.6-6.6000109.6N452 K456N452-N454 PolarHBondContact O-N 3.28Å; N454-K456 PolarHBondContact O-N 3.17Å
455K53.5Low53.3Low200 Ų200146.2 Ų146.287%0.8778%0.779SS**  trans-62.9122.4165.8-78.1-179.3173.9-179.10107.9V457K455-V457 PolarHBondContact O-N 2.97Å
456K50.8Low53.7Low200 Ų200147.6 Ų147.687%0.8778%0.783SS**  trans-69.4112.5172.8-169.7-177.8-179.3-166.60107.8N454N454-K456 PolarHBondContact O-N 3.17Å
457V64.2Low54.1Low125 Ų125147.2 Ų147.276%0.75878%0.78SS**  trans-75.4127.7169.1176.50000107.4K455K455-V457 PolarHBondContact O-N 2.97Å
458E67.8Low54.1Low163 Ų163144.9 Ų144.976%0.76278%0.782SS**  trans-93.4112.4178.7-168.8156.4-131.300108.5I460E458-I460 HydrophobicContact CG-CG1 4.48Å
459V72.4Confident54.5Low130 Ų130143.3 Ų143.379%0.78878%0.78SS**  trans-93.7108.9179.4179.40000107.7
460I74.3Confident54.9Low128 Ų128143.1 Ų143.166%0.65678%0.779SS**  trans-94.3110.1176.2-59.5170.6000107.6E458 L462E458-I460 HydrophobicContact CG-CG1 4.48Å; I460-L462 HydrophobicContact CG2-CD2 3.9Å; I460-L462 HydrophobicContact CG2-CG 4.36Å
461D72.6Confident55.2Low94 Ų94147 Ų14750%0.50378%0.784SS.*  trans-83.7114.5173-168.7-18.3000109.4T463D461-T463 VanDerWaalsContact C-N 3.31Å; D461-T463 WeakPolarHBondContact OD1-CB 3.26Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 2.63Å
462L66.1Low55.5Low152 Ų152150.9 Ų150.980%0.79679%0.791SS**THydrogen-bonded Turntrans-91.415.3179.3-63.3174.8000112.7I460I460-L462 HydrophobicContact CG2-CD2 3.9Å; I460-L462 HydrophobicContact CG2-CG 4.36Å
463T66.1Low55.6Low100 Ų100152.8 Ų152.861%0.61380%0.795SS**THydrogen-bonded Turntrans-101.47.9179.767.90000114.6D461D461-T463 VanDerWaalsContact C-N 3.31Å; D461-T463 WeakPolarHBondContact OD1-CB 3.26Å; D461-T463 PolarHBondContact OD1-N 3.24Å; D461-T463 PolarHBondContact OD1-OG1 2.63Å
464I55.9Low55.9Low127 Ų127151.9 Ų151.965%0.65179%0.794SS**  trans-102.577.7172.249.8161.7000111.4S466I464-S466 PolarHBondContact O-N 3.02Å
465D51.3Low55.5Low159 Ų159149.2 Ų149.285%0.8579%0.785SS**  trans-66.6101.4168.3-78.6-41.3000110.1S467D465-S467 PolarHBondContact O-N 3.17Å
466S45.8Very low54.9Low119 Ų119145.3 Ų145.383%0.83278%0.783SS**  trans-77106.7174-67.20000110.5I464I464-S466 PolarHBondContact O-N 3.02Å
467S51.2Low54.6Low116 Ų116139.7 Ų139.781%0.81177%0.774SS**  trans-149.595.7174.8169.60000111.2D465D465-S467 PolarHBondContact O-N 3.17Å
468S43.5Very low53.6Low111 Ų111142.8 Ų142.878%0.77678%0.777SS**  trans-167.278.3158.4-169.20000111
469D50Low52.3Low163 Ų163146.5 Ų146.587%0.87278%0.784SS**  trans-92.2103.7161.2-89.6-27.9000108.3
470E50.6Low50.7Low168 Ų168146.2 Ų146.279%0.78578%0.783SS**  trans-155114164.1-71.2-70154.800107.2
471E49.3Very low49.1Very low202 Ų202145.8 Ų145.894%0.94479%0.79SS**  trans-169.8137.2135.1-108175.7-146.400111.5
472E45.9Very low47.6Very low188 Ų188146.9 Ų146.988%0.87980%0.802SS**  trans-76.6150.2-159-54169.6127.300114.7
473E47.2Very low46Very low199 Ų199144.6 Ų144.693%0.9380%0.799SS**  trans-134138.5151.9-154.2177.6-176.600111
474E48Very low45.1Very low187 Ų187148.2 Ų148.287%0.87481%0.814SS**  trans-79.4170.1-162.9-107.4-114.5121.900115
475P39.2Very low44.2Very low103 Ų103147 Ų14767%0.66982%0.817SS**  trans-113.3170.6-137.741.6-38.7000116.2
476S41.2Very low44.3Very low117 Ų117145.1 Ų145.182%0.81881%0.813SS**  trans-144.7115.2162.358.20000116.3
477A44.4Very low44.1Very low82 Ų82145.8 Ų145.868%0.67881%0.812SS**  trans47.5110.2141.400000123.3
478K42.5Very low43.8Very low191 Ų191145.1 Ų145.183%0.8381%0.807SS**  66.8109.8126.9-58.8171.6-175.7173.50120.2
479R41.6Very low43.9Very low240 Ų240145.3 Ų145.391%0.90681%0.806SS**  158.8114.2123.6-83.4158.6-163.1-174.57.6108.9
480T38.6Very low43.4Very low124 Ų124144.2 Ų144.276%0.76180%0.799SS**  99.4110.458.5-66.30000113.4
481C40.6Very low43Very low119 Ų119143.8 Ų143.880%0.80480%0.802SS**  trans76.3159.2154-70.90000121.2
482P39.8Very low42.6Very low118 Ų118139 Ų13977%0.76678%0.783SS**  cis-142.5176.3-44.940.4-23.7000115.1
483S33Very low42.4Very low104 Ų104139 Ų13973%0.72778%0.78SS**  trans-74.7153.6173172.30000114.3
484L47.8Very low42Very low176 Ų176132.7 Ų132.792%0.92177%0.769SS**  trans-137.8129.3160.8-80.7172.5000110.9
485S36.5Very low41.7Very low102 Ų102131.1 Ų131.171%0.71377%0.765SS**  trans-141.5142.4167.859.70000110.5
486P54.5Low41.8Very low119 Ų119133.6 Ų133.677%0.77377%0.772SS**  trans-101.2107.4178.433.5-27.4000113.5
487T41.1Very low41.7Very low132 Ų132133.2 Ų133.281%0.8177%0.769SS**  trans41.1122.813054.50000121.9
488S43.6Very low41.1Very low103 Ų103136.8 Ų136.872%0.7278%0.776SS**  trans-77.7-173.2157.954.20000112.7
489P45.6Very low41.2Very low114 Ų114132.9 Ų132.974%0.7477%0.77SS**  -151.4145.4103.836.8-18.7000118.9
490L40.7Very low41.1Very low141 Ų141129 Ų12974%0.73876%0.762SS**  trans47126137.5-7966.1000122.7
491N41.4Very low41Very low159 Ų159131 Ų13185%0.8576%0.762SS**  -142.9146.8102.6-15911000113.2
492N40.8Very low40.8Very low102 Ų102129.8 Ų129.855%0.54576%0.762SS.*  trans-76.7170.4-175-81.9-47.1000113.6
493K43.1Very low40.6Very low186 Ų186129.6 Ų129.681%0.80976%0.763SS**  cis-166.7156.38.2-119.8158-164.9178.90110.4
494G38.8Very low41Very low67 Ų67130.9 Ų130.969%0.69177%0.769SS**  trans118.990.9162.200000115.1
495I40.7Very low40.8Very low154 Ų154128.5 Ų128.579%0.7976%0.761SS**  63.2104.368.4-60.3170.4000110.4
496L42Very low40.8Very low156 Ų156129.4 Ų129.482%0.81777%0.768SS**  -150.6140.366.5-83.9167000116.7
497S37.9Very low40.2Very low109 Ų109135 Ų13576%0.76277%0.773SS**  trans36.1116.114655.90000124.7
498L33.6Very low40Very low156 Ų156134.8 Ų134.882%0.81777%0.772SS**  trans-68.2177.5150.2-121.574.9000111.9
499P42.8Very low40.1Very low110 Ų110136 Ų13671%0.71478%0.777SS**  cis-153.2165.247.442.6-21.4000120.7
500H40.2Very low39.8Very low157 Ų157136 Ų13673%0.72778%0.78SS**  trans57.2146.9147.5-80.716.6000119.9
501Q36.1Very low39.8Very low166 Ų166137.1 Ų137.178%0.77679%0.786SS**  cis-157.6170.77-139.5179.427.800110.6
502A36.6Very low40.1Very low95 Ų95134.8 Ų134.879%0.78578%0.78SS**  trans76.8134159.600000121.1
503S36.5Very low39.8Very low114 Ų114134.9 Ų134.980%0.79780%0.795SS**PPolyproline II helixtrans-47.8144.3-174.3-46.60000118.8
504P40.8Very low39.8Very low130 Ų130132.8 Ų132.884%0.84480%0.797SS**PPolyproline II helixtrans-86.4120169.133.5-30.4000112.3
505V43.9Very low39.6Very low126 Ų126136.6 Ų136.676%0.76480%0.802SS**PPolyproline II helixtrans-78.9134.8162174.50000109.1R507V505-R507 PolarHBondContact O-N 3.03Å; V505-R507 VanDerWaalsContact O-N 3.14Å
506S37Very low39.2Very low122 Ų122134.8 Ų134.885%0.85380%0.798SS**  trans-51.9114.9178.9-57.10000112.7
507R40.7Very low38.8Very low236 Ų236131.7 Ų131.789%0.89179%0.789SS**  trans-128.9148.8168.4-75.1-170175.3-168.3-0.1111.1V505V505-R507 PolarHBondContact O-N 3.03Å; V505-R507 VanDerWaalsContact O-N 3.14Å
508T37.5Very low38.7Very low127 Ų127137.8 Ų137.878%0.77980%0.797SS**PPolyproline II helixtrans-58.8148.5-174.941.60000114.3S510T508-S510 PolarHBondContact O-N 3.31Å
509P46.4Very low38.8Very low129 Ų129137.8 Ų137.884%0.83880%0.796SS**PPolyproline II helixtrans-70.8119.8170.630-32.8000110.8
510S39.5Very low38.2Very low113 Ų113139.3 Ų139.379%0.7980%0.799SS**PPolyproline II helixtrans-78.1142.9167.642.90000111T508T508-S510 PolarHBondContact O-N 3.31Å
511L39.4Very low37.8Very low165 Ų165138.1 Ų138.186%0.86480%0.803SS**PPolyproline II helixtrans-71.8144.6172.2-73.9160.7000110.6
512P47Very low37.8Very low111 Ų111134.5 Ų134.572%0.72180%0.795SS**PPolyproline II helixtrans-73.4141.4169.431.4-33.3000110.6
513A35.8Very low37.9Very low104 Ų104137.7 Ų137.786%0.8680%0.799SS**PPolyproline II helixtrans-71.2140.9168.700000110.4
514V42.4Very low38Very low141 Ų141138.7 Ų138.786%0.85579%0.794SS**  trans-119.5135165.2176.20000107.2
515D35.6Very low37.7Very low148 Ų148140 Ų14079%0.79179%0.788SS**  trans-80.3178.7-165.3-145.2-26.5000113.7
516T30.9Very low37.3Very low115 Ų115140 Ų14071%0.70678%0.784SS**  trans-81.6167.3-157-45.10000113.2
517S34.1Very low37.3Very low92 Ų92144.3 Ų144.364%0.64378%0.783SS**  trans78.1107.5167.275.60000117.1
518Y36.6Very low37Very low237 Ų237144.4 Ų144.493%0.92978%0.784SS**  -158.8135108.7-98.6-70.9000109.9
519I35.2Very low37Very low155 Ų155145.1 Ų145.180%0.79578%0.778SS**  trans-84.8134.7-175.7-65.5159.6000109.5
520N30.1Very low36.4Very low143 Ų143144 Ų14477%0.76577%0.77SS**  -155.4113.1129.8-147.5-15.4000112.8
521T32Very low36.3Very low132 Ų132146.9 Ų146.981%0.8177%0.769SS**  trans-118.1110.9173.2-42.30000107.2
522S35.2Very low36Very low89 Ų89147 Ų14762%0.62277%0.765SS**  trans-159.1150.7175.9-67.20000109.8
523L39.7Very low35.2Very low163 Ų163150.1 Ų150.185%0.85377%0.772SS**  trans77.399.8-169.8-51.2175.2000113.6
524I38.8Very low35.2Very low135 Ų135151.5 Ų151.569%0.69277%0.769SS**  cis61.6119.514.3-57.2-177.9000110
525Q34.9Very low34.8Very low156 Ų156150.4 Ų150.473%0.72977%0.765SS**  cis-158.3168.325.8-130.8154.1-29.800111
526D35.7Very low35Very low127 Ų127152 Ų15268%0.67977%0.77SS**  trans53.2110.8148.9-55.2-31.3000121.7
527Y35.9Very low35.3Very low213 Ų213151.3 Ų151.384%0.83577%0.768SS**  -153.3108.6120-112.2-73.7000110.2H529Y527-H529 AromaticContact CD1-CD2 3.82Å; Y527-H529 AromaticContact CE1-CD2 3.72Å; Y527-H529 AromaticContact CE1-NE2 3.83Å
528R33.8Very low35.3Very low238 Ų238156.7 Ų156.790%0.89878%0.775SS**  trans-131.297.2175.4-158.5179.9-166.2165.34.2109.2
529H37.2Very low35.3Very low142 Ų142150.8 Ų150.866%0.65776%0.76SS**  trans-115.5122.7171.3-84.4-55.4000110.5Y527Y527-H529 AromaticContact CD1-CD2 3.82Å; Y527-H529 AromaticContact CE1-CD2 3.72Å; Y527-H529 AromaticContact CE1-NE2 3.83Å
530P33.8Very low35.5Very low104 Ų104151.9 Ų151.968%0.67577%0.766SS**  trans-105.1113.3174.934.6-24.8000110.9
531F37.6Very low35.8Very low174 Ų174153.1 Ų153.176%0.76377%0.767SS**  trans-139.9114.6169.2-73.8-68.3000114
532H34.2Very low35.8Very low168 Ų168150 Ų15078%0.77876%0.761SS**  trans42.1111.5145.9-84.1-86.3000121
533M29.3Very low36Very low177 Ų177154 Ų15487%0.87278%0.775SS**  trans-69.7140.7148.8-74.1-80.2109.400110.9
534T36.6Very low35.7Very low132 Ų132153.3 Ų153.381%0.8177%0.772SS**  trans-128.3127.5157.736.30000109
535P33.4Very low35.7Very low118 Ų118156 Ų15677%0.76678%0.779SS**  trans-94.1141.5-179.135.3-32.3000111.8
536M39.7Very low35.6Very low181 Ų181158.8 Ų158.889%0.89279%0.789SS**  trans-150.5157.8165.5-87.3-45.7-92.300110.4
537P38Very low35.6Very low101 Ų101158 Ų15866%0.65679%0.791SS**  -123.2-174.9-122.242.6-33.4000115.9
538Y34Very low35.6Very low206 Ų206156.4 Ų156.481%0.80879%0.789SS**  trans-25.9141.6157.3-80.3-107.7000113.1
539D35.4Very low35.9Very low113 Ų113153 Ų15360%0.60479%0.787SS**  cis-170.8142.647.3-126.7-39.6000110
540L39.5Very low35.6Very low177 Ų177151.4 Ų151.493%0.92779%0.793SS**  trans-157.8105144.3-155.271.2000110.4
541Q37.1Very low35.7Very low169 Ų169149.3 Ų149.379%0.7979%0.79SS**  trans-80157.3177.7-62.9174.6-7.600112
542G32.5Very low35.6Very low66 Ų66148.1 Ų148.168%0.6879%0.791SS**  trans107.296152.200000116.2
543L38.7Very low35.6Very low174 Ų174146 Ų14691%0.91179%0.786SS**  -174.3100104.4-93.9172.1000109.7
544D34Very low35.9Very low149 Ų149144.5 Ų144.580%0.79778%0.777SS**  trans-70.3148.9170.1-67.2-71.6000112.1
545F37.6Very low35.9Very low191 Ų191145.4 Ų145.484%0.83877%0.771SS**  trans-167.598.1141.4-98.4-65.3000110.3
546F33.9Very low36Very low215 Ų215149.6 Ų149.694%0.94377%0.773SS**  trans-179.6117.9145.6-88-56.5000110.3
547P36.4Very low35.6Very low111 Ų111149 Ų14972%0.72177%0.774SS**  trans-119146.2166.836.4-26.1000113.9
548F35Very low35.5Very low178 Ų178150.5 Ų150.578%0.78178%0.781SS**  trans63.8130.1156.6-93.6-116.3000117.9
549L39.3Very low35.6Very low166 Ų166145.9 Ų145.987%0.86978%0.779SS**  -145.9143.159.4-87.5157.8000113.7
550S31.8Very low35.5Very low110 Ų110148.5 Ų148.577%0.76979%0.792SS**  trans-92.6161.8170.6-55.50000112
551G36.2Very low35.2Very low59 Ų59148.7 Ų148.761%0.60879%0.793SS**  trans136.595.5174.700000110
552D34.7Very low34.9Very low149 Ų149145.6 Ų145.680%0.79780%0.797SS**  80.7133.993.3-85.5-44.7000112.7
553N34.2Very low34.9Very low124 Ų124147.6 Ų147.666%0.66381%0.806SS**  cis-163.7168.6-12.9-154-39.2000108.9
554Q35.1Very low34.6Very low145 Ų145144.3 Ų144.368%0.67881%0.805SS**  trans75.6118.7155.2-59.5-167.5-6.700123
555H37.2Very low34.7Very low151 Ų151141.9 Ų141.970%0.69981%0.805SS**  trans106.5135.1132.2-70-36.7000122.4
556Y35.6Very low34.4Very low207 Ų207138 Ų13881%0.81281%0.809SS**  trans65.892.1171.1-65.1-73.6000120.2
557N32.3Very low34.6Very low168 Ų168132.3 Ų132.390%0.89880%0.801SS**  trans-14997.8145.7-111.8-46.8000110
558T34.3Very low34.6Very low133 Ų133133.6 Ų133.682%0.81681%0.807SS**  trans-150.989.8176.1-51.10000111.1
559S36.8Very low34.7Very low109 Ų109130.4 Ų130.476%0.76281%0.806SS**  trans174.39715144.60000113.4
560L34.4Very low34.7Very low168 Ų168130.1 Ų130.188%0.8881%0.806SS**SBendtrans154.975138.9-10787.7000111.8
561L33.1Very low35.2Very low181 Ų181132.8 Ų132.895%0.94881%0.811SS**  trans-170.767.7158-115.5153.1000112.9
562A30.4Very low35.1Very low104 Ų104137.5 Ų137.586%0.8682%0.817SS**  trans-16588.2167.500000111.7
563A31.6Very low35.2Very low107 Ų107136.2 Ų136.288%0.88481%0.811SS**  trans-165.558.2171.100000113.3
564A33.6Very low35.2Very low106 Ų106136.8 Ų136.888%0.87681%0.813SS**SBendtrans-166.657.3169.700000113.4
565A35.5Very low35.3Very low98 Ų98136 Ų13681%0.8181%0.813SS**SBendtrans-156.6138.6167.800000112
566A32.3Very low35.1Very low110 Ų110137.2 Ų137.291%0.90982%0.818SS**  trans56.298.5164.700000118.5
567A36.3Very low35Very low95 Ų95132.5 Ų132.579%0.78582%0.816SS**  trans-134.1159.1146.300000108
568V37.6Very low34.8Very low138 Ų138129.4 Ų129.484%0.83681%0.807SS**  trans71.681.4-170-161.40000111.6
569S37.7Very low34.9Very low110 Ų110134.3 Ų134.377%0.76981%0.811SS**  85.5123.769.1-66.90000113
570D37.6Very low34.9Very low161 Ų161137.1 Ų137.186%0.86181%0.809SS**  trans-53.9143.7170.9-64.1-86.8000112.7
571D42.3Very low35.1Very low165 Ų165138.1 Ų138.188%0.88281%0.807SS**  -145.8154.6117.8-140.9-40.7000109.7
572Q34.1Very low35.4Very low158 Ų158134.1 Ų134.174%0.73879%0.792SS**  trans-103.3177.6-166.3-160.1167.1-4.300111
573D36.8Very low35.7Very low123 Ų123139.7 Ų139.766%0.65879%0.792SS**  trans88.8122.7149.6-83.7-19.6000122.6
574L35.5Very low35.9Very low135 Ų135139.2 Ų139.271%0.70778%0.779SS**  trans87.8107.5134.2-65.3168.1000121.8
575L36.8Very low35.8Very low130 Ų130139.3 Ų139.368%0.68177%0.773SS**  83.9108.7129.4-60.3174.8000121.1
576H33.3Very low35.9Very low175 Ų175140.4 Ų140.481%0.8177%0.774SS**  48.1144114.9-71.6103.2000122.8
577S32.4Very low36Very low109 Ų109143.8 Ų143.876%0.76277%0.771SS**  trans93.592.6155.9-61.30000119.2
578S29.3Very low36.2Very low102 Ų102148.4 Ų148.471%0.71378%0.779SS**  trans-17.3138.9136.547.40000118.9
579R36.5Very low36Very low236 Ų236149.8 Ų149.889%0.89177%0.774SS**  trans-169.6115.2137-96.5152.6-161.3-148.86.7108.4
580F37Very low36Very low168 Ų168152 Ų15274%0.73778%0.777SS**  65.7107.988.1-88.3-76.1000115.3
581F37.9Very low35.9Very low190 Ų190149.9 Ų149.983%0.83377%0.765SS**  171.9166.7102.7-85.6-55.9000112.1
582P39.8Very low35.7Very low97 Ų97150.6 Ų150.663%0.6376%0.763SS**  trans-130.3-179.8-152.739.7-20.3000114.7
583Y35.8Very low35.6Very low221 Ų221150.8 Ų150.887%0.86777%0.769SS**  trans-17196.2154.6-119.3-87000107.9
584T35.9Very low35.6Very low97 Ų97151 Ų15160%0.59578%0.78SS**  57.197.68569.20000116.7
585S31.3Very low35.7Very low108 Ų108149.7 Ų149.776%0.75579%0.788SS**  trans30.7135.613660.60000122.2
586S38.1Very low35.7Very low120 Ų120147.5 Ų147.584%0.83980%0.797SS**  -167.6145.9114.2-810000113
587Q34.8Very low35.8Very low181 Ų181142.4 Ų142.485%0.84679%0.791SS**  trans-72.2149.7160.5-63.2171.1-51.100109.6
588M39.6Very low36.1Very low193 Ų193142.6 Ų142.695%0.95179%0.793SS**  trans-150.4147.8142.4-94.4-50.6141.900111.6
589F33.9Very low36.7Very low166 Ų166145.1 Ų145.173%0.72880%0.804SS**  trans-105.8139.9-180177.4-80.8000108.1
590L38.1Very low36.8Very low158 Ų158138.7 Ų138.783%0.82780%0.795SS**  trans-153.9113.9163.9-153.674000112.8
591D35.2Very low36.9Very low116 Ų116138.6 Ų138.662%0.6280%0.802SS**  trans-67.3150.2159.5-89-57.6000111.1
592Q36.8Very low37Very low180 Ų180134.3 Ų134.384%0.84179%0.793SS**  trans-146.898.8149.6-140.5169.767.900112.7
593L33.2Very low36.8Very low162 Ų162135.6 Ų135.685%0.84880%0.799SS**  trans-76.3140.1157.4-77.3161.1000109.2
594S36.6Very low37Very low128 Ų128132.1 Ų132.190%0.89580%0.801SS**  trans-154.7142.1153.4-131.30000111
595A36.6Very low37.1Very low107 Ų107135.5 Ų135.588%0.88482%0.815SS**  trans-122.5163.3-166.700000112.6
596G37.7Very low37.5Very low84 Ų84134.1 Ų134.187%0.86682%0.819SS**  trans119.9133.7172.800000112.8
597G35.8Very low37.5Very low67 Ų67134.5 Ų134.569%0.69182%0.821SS**  cis-177.6150.4-6.400000112.4
598S38.2Very low37.9Very low114 Ų114131.8 Ų131.880%0.79782%0.822SS**  trans36.2117.3152.158.10000120.7
599T41.2Very low37.9Very low154 Ų154128.6 Ų128.695%0.94582%0.819SS**  -159.6154.1115.99.70000111.1
600S39.8Very low38.4Very low101 Ų101124.4 Ų124.471%0.70682%0.822SS**  trans-110.2155.1-167.747.30000112.7
601L39.6Very low38.5Very low167 Ų167122 Ų12287%0.87482%0.819SS**  166.6147.3124.5-87.4158000111.9
602P39.1Very low38.6Very low100 Ų100124 Ų12465%0.64983%0.83SS**  trans-117.7179.3-172.843.5-34.6000115.8
603T36.4Very low38.8Very low124 Ų124121.5 Ų121.576%0.76183%0.832SS**  trans70.6124.2161.662.70000120.3
604T40.2Very low38.9Very low147 Ų147118.8 Ų118.890%0.90283%0.827SS**  -179.8165.1108.629.30000112.7
605N37.8Very low39.3Very low168 Ų168120.9 Ų120.990%0.89883%0.827SS**  trans-74.2157.9-171.2-70.5-28.8000115.3
606G39.4Very low39.5Very low80 Ų80122.1 Ų122.183%0.82582%0.823SS**  trans-167.2103.7162.800000112.9
607S37.2Very low39.6Very low128 Ų128123.9 Ų123.990%0.89582%0.822SS**  trans-96135.3177.8-54.40000111.6
608S44.3Very low39.7Very low123 Ų123125.8 Ų125.886%0.8683%0.825SS**  trans-154.8128.5161.159.20000112.2
609S39.5Very low40.1Very low126 Ų126128.8 Ų128.888%0.88183%0.832SS**  trans-89153.8-179.441.30000113.2
610G43.8Very low39.8Very low78 Ų78126.9 Ų126.980%0.80483%0.825SS**  trans-154.6133.117200000110.9
611S40.3Very low39.9Very low108 Ų108129.5 Ų129.576%0.75583%0.83SS**  trans-111.2151.6-158.9-570000115.3
612N36.9Very low39.8Very low158 Ų158131.3 Ų131.385%0.84583%0.826SS**  trans28.4133.6143.7-61.2-10.3000121.4
613S40.2Very low39.8Very low127 Ų127133 Ų13389%0.88883%0.825SS**  -162.2143.8116.749.50000113
614S37.1Very low39.8Very low105 Ų105131 Ų13173%0.73482%0.816SS**  trans-111.8159.1175.753.90000110.4
615L44.3Very low39.8Very low173 Ų173132.7 Ų132.791%0.90681%0.813SS**  trans-134.2126.8164.9-75.3177000111.3
616V40.1Very low39.6Very low132 Ų132129 Ų12980%0.880%0.801SS**  trans-129.8133.9168.8-175.90000106
617S40.7Very low39.6Very low121 Ų121134.7 Ų134.785%0.84681%0.805SS**  trans-114.5113.3-179-62.70000111.4
618S38.4Very low39.2Very low108 Ų108134.8 Ų134.876%0.75580%0.801SS**  trans-127.5120.9170.2-65.80000108.3
619N45Very low38.9Very low177 Ų177135 Ų13595%0.94780%0.796SS**  trans-107130.5173.9-96.3-4.8000110.7
620S36Very low38.7Very low113 Ų113135 Ų13579%0.7979%0.791SS**  trans-155.6112.6173.9178.70000110.9
621L41.5Very low38.1Very low157 Ų157138.8 Ų138.882%0.82279%0.793SS**  trans-148.9126.7160.2-70.6178.4000105.2
622R38.6Very low37.9Very low205 Ų205145.7 Ų145.777%0.77480%0.802SS**  60.5132.572.5-77.6-180165.8-119.79.2112
623E37.8Very low37.6Very low136 Ų136143.5 Ų143.564%0.63680%0.799SS**  cis-159.31659.9-149.9142.4143.700112.7
624S36.8Very low37.5Very low81 Ų81143.4 Ų143.457%0.56680%0.799SS**  trans43.3120.814860.50000123.1
625H40.3Very low37.3Very low183 Ų183144 Ų14485%0.84780%0.798SS**  178.3161.392.7-93-64.2000113.5
626S33.5Very low36.9Very low91 Ų91142.1 Ų142.164%0.63679%0.789SS**  trans-108.8139.4-167.152.40000113.8
627H38.6Very low36.7Very low199 Ų199142.5 Ų142.592%0.92179%0.792SS**  trans-145.7122.8152-87.8-71.2000112.6
628T30.4Very low36.2Very low130 Ų130141.6 Ų141.680%0.79879%0.792SS**  trans-88152.5165.6-32.20000109
629V36.3Very low36.1Very low127 Ų127141.3 Ų141.377%0.7779%0.79SS**  trans175.1124.1136.1144.80000114.5
630T36.3Very low35.5Very low125 Ų125140.8 Ų140.877%0.76779%0.785SS**  trans55.1125.4152.261.60000125.5
631N30.8Very low35.6Very low158 Ų158144.7 Ų144.785%0.84579%0.788SS**  trans-31.6148143.2-73.4-21.6000116.3
632R35.4Very low35.3Very low253 Ų253140.3 Ų140.396%0.95578%0.781SS**  -150144.9122.4-115.4175.2-176.8-166.4-0.3111.9
633S31.7Very low35.3Very low112 Ų112138.7 Ų138.778%0.78379%0.786SS**  trans-101.8140.6-178.1510000111.4
634S37.4Very low35.6Very low125 Ų125139 Ų13987%0.87479%0.791SS**  trans-146.4136.8154.12.50000109.4
635T33.8Very low36Very low117 Ų117140.2 Ų140.272%0.71880%0.797SS**  trans-76.1155.1171.949.20000110
636D35.2Very low36.1Very low135 Ų135138.6 Ų138.672%0.72279%0.794SS**  179.6153.4103.9-90.6-15.9000115
637T35.1Very low36.6Very low140 Ų140142.2 Ų142.286%0.85981%0.805SS**  trans56.9149.4152.252.60000122.4
638A30.7Very low37.2Very low102 Ų102139.2 Ų139.284%0.84379%0.794SS**  trans-101.2149.8-173.500000111.8
639S35.9Very low37.7Very low102 Ų102138.2 Ų138.271%0.71379%0.792SS**  trans-144.1117.6161.359.40000110.3
640I33.5Very low38.3Very low166 Ų166139.4 Ų139.485%0.85179%0.794SS**  trans-72.8125167.3-65160.9000107.1
641F37.8Very low38.4Very low194 Ų194144.6 Ų144.685%0.85182%0.817SS**  trans-139.7137.6163.8-89.9-74.1000112.1
642G35.3Very low38.7Very low66 Ų66144 Ų14468%0.6882%0.815SS**  trans-80.4176.7-173.900000114.1I644G642-I644 PolarHBondContact O-N 3.25Å
643I39.3Very low38.9Very low170 Ų170138.2 Ų138.287%0.87281%0.808SS**  trans-83.4108-179.1-62.2166.8000108.7
644I42.8Very low39.3Very low143 Ų143139.7 Ų139.773%0.73381%0.809SS**PPolyproline II helixtrans-79.6130165.1-59.4172.5000107.9G642G642-I644 PolarHBondContact O-N 3.25Å
645P45.2Very low39.4Very low107 Ų107140.5 Ų140.570%0.69581%0.806SS**PPolyproline II helixtrans-86.5121.7164.831.6-26.8000109.9I647P645-I647 PolarHBondContact O-N 3.32Å
646D42.2Very low39.8Very low149 Ų149142 Ų14280%0.79781%0.811SS**PPolyproline II helixtrans-59126176.6-65.1-55.9000111.7
647I44.7Very low40.1Very low167 Ų167142.5 Ų142.586%0.85682%0.817SS**  trans-88.3112165-65.1173.7000106.9P645P645-I647 PolarHBondContact O-N 3.32Å
648I51.1Low40.4Very low136 Ų136142.6 Ų142.670%0.69781%0.814SS**  trans-92113.1168.9-61.7175.3000107.1L650I648-L650 HydrophobicContact CG2-CD2 4.33Å; I648-L650 HydrophobicContact CG2-CG 4.28Å
649S40.4Very low41.2Very low108 Ų108145.8 Ų145.876%0.75581%0.812SS**  trans-71.6137.7163.5-1570000109.1
650L48.7Very low41.6Very low153 Ų153149.4 Ų149.480%0.80182%0.82SS**  trans-125.3114.8171.3-74.2173.1000108I648I648-L650 HydrophobicContact CG2-CD2 4.33Å; I648-L650 HydrophobicContact CG2-CG 4.28Å
651D38.5Very low42.4Very low234 Ų234147.9 Ų147.9100%1.25182%0.817SS**  trans-65.20152-67.7-49.8000110.7

Retrieved 651 of 651 residues in 889.2 ms (Link to these results)