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Acidic leucine-rich nuclear phosphoprotein 32 family member A

Multifunctional protein that is involved in the regulation of many processes including tumor suppression, apoptosis, cell cycle progression or transcription1,2,3,4. Promotes apoptosis by favouring the activation of caspase-9/CASP9 and allowing apoptosome formation5. In addition, plays a role in the modulation of histone acetylation and transcription as part of the INHAT (inhibitor of histone acetyltransferases) complex. Inhibits the histone-acetyltranferase activity of EP300/CREBBP (CREB-binding protein) and EP300/CREBBP-associated factor by histone masking6. Preferentially binds to unmodified histone H3 and sterically inhibiting its acetylation and phosphorylation leading to cell growth inhibition7. Participates in other biochemical processes such as regulation of mRNA nuclear-to-cytoplasmic translocation and stability by its association with ELAVL1 (Hu-antigen R)8. Plays a role in E4F1-mediated transcriptional repression as well as inhibition of protein phosphatase 2A9,10. (Microbial infection) Plays an essential role in influenza A, B and C viral genome replication11,12,13,14. Mechanistically, mediates the assembly of the viral replicase asymmetric dimers composed of PB1, PB2 and PA via its N-terminal region15. Also plays an essential role in foamy virus mRNA export from the nucleus16.

AlphaFold DB , UniProt , Accession P39687, Species HUMAN (Homo sapiens, Human), Gene ANP32A, Length 249 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
1M89.8Confident93.7Very high106 Ų10668.2 Ų68.252%0.52233%0.326SS..  0145.50179-178.2-75.900107.8R5 R6 L9 S27 R28M1-R5 HydrophobicContact CG-CB 4.07Å; M1-R5 HydrophobicContact SD-CB 4.47Å; M1-R6 HydrophobicContact SD-CB 4.2Å; M1-L9 HydrophobicContact CE-CD1 3.51Å; M1-L9 HydrophobicContact SD-CD1 3.47Å; M1-L9 WeakPolarHBondContact SD-CD1 3.22Å; M1-S27 CarbonylContact O-C 3.43Å; M1-S27 VanDerWaalsContact O-CA 3.28Å; M1-S27 WeakPolarHBondContact O-CA 3.42Å; M1-R28 PolarHBondContact O-N 2.95Å
2E94Very high93.5Very high68 Ų6878.9 Ų78.932%0.31836%0.361SS..BIsolated β-bridgetrans-65.4145.3175.8-73.3162.2-178.600111.2G4 R5 R6E2-G4 PolarHBondContact O-N 2.93Å; E2-R5 HydrophobicContact CB-CG 4.31Å; E2-R5 PolarHBondContact O-N 2.94Å; E2-R5 IonicContact OE2-CZ 2.89Å; E2-R5 IonicContact OE2-NE 2.79Å; E2-R5 PolarHBondContact OE2-NE 3.31Å; E2-R5 IonicContact OE2-NH2 3.91Å; E2-R5 PolarHBondContact OE2-NH2 3.31Å; E2-R6 PolarHBondContact O-N 3.07Å
3M94.5Very high93.1Very high1 Ų185.7 Ų85.71%0.00540%0.402CS..Hα-helixtrans-56.1-48.7-177.5-174.4175.8-73.300112.5R5 R6 I7 L24 R28 L34 V52M3-R5 VanDerWaalsContact C-N 3.31Å; M3-R5 PolarHBondContact O-N 3.37Å; M3-R6 WeakPolarHBondContact O-CA 3.37Å; M3-R6 WeakPolarHBondContact O-CB 3.49Å; M3-R6 PolarHBondContact O-N 3.4Å; M3-I7 HydrophobicContact CG-CD1 4.21Å; M3-I7 WeakPolarHBondContact O-CG1 3Å; M3-I7 PolarHBondContact O-N 2.6Å; M3-L24 HydrophobicContact CG-CD1 4.07Å; M3-L24 HydrophobicContact SD-CD1 4.41Å; M3-R28 PolarHBondContact N-O 3.33Å; M3-L34 HydrophobicContact CE-CD2 3.96Å; M3-L34 HydrophobicContact SD-CD2 3.89Å; M3-V52 HydrophobicContact CE-CB 4.03Å; M3-V52 HydrophobicContact CE-CG1 4.39Å; M3-V52 HydrophobicContact CE-CG2 3.9Å
4G92.9Very high93Very high36 Ų3687.6 Ų87.637%0.37140%0.403SS..Hα-helixtrans-59.5-38.1178.500000113.7E2 R6 I7 H8E2-G4 PolarHBondContact O-N 2.93Å; G4-R6 VanDerWaalsContact C-N 3.34Å; G4-I7 PolarHBondContact O-N 3.13Å; G4-H8 PolarHBondContact O-N 3.01Å; G4-H8 VanDerWaalsContact O-N 3.14Å
5R93.7Very high93.2Very high163 Ų16386.5 Ų86.562%0.61541%0.405SS*.Hα-helixtrans-68.1-35.6173.6-61.6-172.3-159.9-154.3-1.8111.8M1 E2 M3 L9M1-R5 HydrophobicContact CG-CB 4.07Å; M1-R5 HydrophobicContact SD-CB 4.47Å; E2-R5 HydrophobicContact CB-CG 4.31Å; E2-R5 PolarHBondContact O-N 2.94Å; E2-R5 IonicContact OE2-CZ 2.89Å; E2-R5 IonicContact OE2-NE 2.79Å; E2-R5 PolarHBondContact OE2-NE 3.31Å; E2-R5 IonicContact OE2-NH2 3.91Å; E2-R5 PolarHBondContact OE2-NH2 3.31Å; M3-R5 VanDerWaalsContact C-N 3.31Å; M3-R5 PolarHBondContact O-N 3.37Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 2.78Å; R5-L9 VanDerWaalsContact O-N 3.17Å
6R95.6Very high93.3Very high73 Ų7382.8 Ų82.828%0.27539%0.391SS..Hα-helixtrans-64.8-46.1176.7-17461.2-175.6-118.97110.6M1 E2 M3 G4 H8 L9 E10 L24M1-R6 HydrophobicContact SD-CB 4.2Å; E2-R6 PolarHBondContact O-N 3.07Å; M3-R6 WeakPolarHBondContact O-CA 3.37Å; M3-R6 WeakPolarHBondContact O-CB 3.49Å; M3-R6 PolarHBondContact O-N 3.4Å; G4-R6 VanDerWaalsContact C-N 3.34Å; R6-H8 PolarHBondContact O-N 3Å; R6-L9 PolarHBondContact O-N 2.95Å; R6-L9 VanDerWaalsContact O-N 3.12Å; R6-E10 HydrophobicContact CG-CG 4.4Å; R6-E10 IonicContact CZ-OE1 3.32Å; R6-E10 IonicContact NE-OE1 3.49Å; R6-E10 PolarHBondContact NE-OE1 3.45Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 3.3Å; R6-E10 WeakPolarHBondContact O-CG 3.4Å; R6-E10 PolarHBondContact O-N 2.7Å; R6-L24 HydrophobicContact CB-CD2 4.34Å; R6-L24 HydrophobicContact CG-CD2 3.92Å
7I95.1Very high93.5Very high9 Ų980.5 Ų80.55%0.04639%0.386CS..Hα-helixtrans-54.7-51.8175.3-66.7169.1000110.4M3 G4 L9 E10 L11 L24 E35 L37 F41M3-I7 HydrophobicContact CG-CD1 4.21Å; M3-I7 WeakPolarHBondContact O-CG1 3Å; M3-I7 PolarHBondContact O-N 2.6Å; G4-I7 PolarHBondContact O-N 3.13Å; I7-L9 PolarHBondContact O-N 3.23Å; I7-E10 PolarHBondContact O-N 2.73Å; I7-L11 HydrophobicContact CG2-CD1 4.16Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CG 3.41Å; I7-L11 PolarHBondContact O-N 3.37Å; I7-L24 HydrophobicContact CD1-CD1 4.12Å; I7-L24 HydrophobicContact CG1-CD1 3.87Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.4Å; I7-E35 VanDerWaalsContact CD1-O 3.29Å; I7-E35 WeakPolarHBondContact CD1-O 3.18Å; I7-L37 HydrophobicContact CD1-CD2 4.03Å; I7-L37 HydrophobicContact CD1-CG 4.2Å; I7-F41 HydrophobicContact CG2-CZ 3.97Å
8H93.6Very high93.6Very high136 Ų13681.9 Ų81.963%0.6340%0.396SS*.Hα-helixtrans-56-38.4178.7-177.974.8000113.2G4 R6G4-H8 PolarHBondContact O-N 3.01Å; G4-H8 VanDerWaalsContact O-N 3.14Å; R6-H8 PolarHBondContact O-N 3Å
9L94.4Very high93.7Very high91 Ų9177.6 Ų77.648%0.47638%0.375SS..Hα-helixtrans-71.2-36.1176.2-70173.3000113.5M1 R5 R6 I7 R12M1-L9 HydrophobicContact CE-CD1 3.51Å; M1-L9 HydrophobicContact SD-CD1 3.47Å; M1-L9 WeakPolarHBondContact SD-CD1 3.22Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 2.78Å; R5-L9 VanDerWaalsContact O-N 3.17Å; R6-L9 PolarHBondContact O-N 2.95Å; R6-L9 VanDerWaalsContact O-N 3.12Å; I7-L9 PolarHBondContact O-N 3.23Å; L9-R12 WeakPolarHBondContact O-CG 3.31Å
10E93.5Very high93.9Very high43 Ų4379 Ų7920%0.20138%0.379CS..Hα-helixtrans-72.1-31.1178.3-66.6-56.8160.600112.2R6 I7 R12 R14 L22R6-E10 HydrophobicContact CG-CG 4.4Å; R6-E10 IonicContact CZ-OE1 3.32Å; R6-E10 IonicContact NE-OE1 3.49Å; R6-E10 PolarHBondContact NE-OE1 3.45Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 3.3Å; R6-E10 WeakPolarHBondContact O-CG 3.4Å; R6-E10 PolarHBondContact O-N 2.7Å; I7-E10 PolarHBondContact O-N 2.73Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 3.18Å; E10-R14 PolarHBondContact O-NH2 3.13Å; E10-L22 HydrophobicContact CB-CD1 3.66Å; E10-L22 HydrophobicContact CG-CD1 4.11Å
11L93.9Very high94Very high24 Ų2480.6 Ų80.613%0.12639%0.387CS..Hα-helixtrans-64.1-36.8177.7-69.1-179.2000112.2I7 N13 R14 P16 V19 F41I7-L11 HydrophobicContact CG2-CD1 4.16Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CG 3.41Å; I7-L11 PolarHBondContact O-N 3.37Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.24Å; L11-R14 WeakPolarHBondContact O-CB 3.26Å; L11-R14 VanDerWaalsContact O-CG 3.26Å; L11-R14 WeakPolarHBondContact O-CG 3.15Å; L11-R14 PolarHBondContact O-N 3.19Å; L11-R14 PolarHBondContact O-NE 3.21Å; L11-R14 VanDerWaalsContact O-NE 3.13Å; L11-P16 HydrophobicContact CD1-CG 4.17Å; L11-V19 HydrophobicContact CD2-CG2 3.65Å; L11-F41 HydrophobicContact CD2-CE1 4.05Å
12R90.6Very high94.4Very high197 Ų19775.6 Ų75.674%0.74336%0.362SS*.THydrogen-bonded Turntrans47.245.3179.3-59.4-171.6179.5-174.43113.8L9 E10 R14L9-R12 WeakPolarHBondContact O-CG 3.31Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 3.18Å; R12-R14 PolarHBondContact O-N 3.09Å
13N88.3Confident94.5Very high167 Ų16774.8 Ų74.889%0.89336%0.362SS*.THydrogen-bonded Turntrans69.29.6-175.5-44.4-42.9000115.6L11L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.24Å
14R92.9Very high94.6Very high113 Ų11374.8 Ų74.843%0.42636%0.361SS..  trans-74.6149.6165-61.2178.4-70.6169.5-0.1109.8E10 L11 R12 V19E10-R14 PolarHBondContact O-NH2 3.13Å; L11-R14 WeakPolarHBondContact O-CB 3.26Å; L11-R14 VanDerWaalsContact O-CG 3.26Å; L11-R14 WeakPolarHBondContact O-CG 3.15Å; L11-R14 PolarHBondContact O-N 3.19Å; L11-R14 PolarHBondContact O-NE 3.21Å; L11-R14 VanDerWaalsContact O-NE 3.13Å; R12-R14 PolarHBondContact O-N 3.09Å; R14-V19 HydrophobicContact CB-CG2 4.45Å
15T94.7Very high94.8Very high70 Ų7074.6 Ų74.643%0.42935%0.352SS..  trans-68.3143.6165.647.60000109.2S17 D18T15-S17 WeakPolarHBondContact CB-OG 3.34Å; T15-S17 PolarHBondContact O-N 3.38Å; T15-S17 PolarHBondContact OG1-OG 2.86Å; T15-S17 VanDerWaalsContact OG1-OG 3.09Å; T15-D18 PolarHBondContact O-N 3.23Å; T15-D18 PolarHBondContact OG1-OD1 3.19Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.13Å
16P96.1Very high95Very high28 Ų2871.9 Ų71.918%0.18235%0.35CS..G310 helixtrans-55-31.4174.2-27.235.9000113.5L11 D18 V19 E40 F41L11-P16 HydrophobicContact CD1-CG 4.17Å; P16-D18 PolarHBondContact O-N 3.17Å; P16-V19 PolarHBondContact O-N 3.29Å; P16-E40 CarbonylContact C-O 3.48Å; P16-E40 HydrophobicContact CB-CB 3.99Å; P16-F41 HydrophobicContact CB-CD1 4.04Å; P16-F41 HydrophobicContact CB-CD2 4.2Å; P16-F41 HydrophobicContact CB-CE1 3.94Å; P16-F41 HydrophobicContact CB-CE2 4.1Å; P16-F41 HydrophobicContact CB-CG 4.18Å; P16-F41 HydrophobicContact CB-CZ 3.97Å
17S96Very high95Very high44 Ų4468.7 Ų68.731%0.30834%0.338SS..G310 helixtrans-59-29.6178.958.70000113.7T15 E40 E43T15-S17 WeakPolarHBondContact CB-OG 3.34Å; T15-S17 PolarHBondContact O-N 3.38Å; T15-S17 PolarHBondContact OG1-OG 2.86Å; T15-S17 VanDerWaalsContact OG1-OG 3.09Å; S17-E40 WeakPolarHBondContact CA-O 3.39Å; S17-E40 PolarHBondContact N-O 3.06Å; S17-E40 VanDerWaalsContact N-O 3.15Å; S17-E43 WeakPolarHBondContact O-CB 3.19Å; S17-E43 WeakPolarHBondContact O-CG 3.4Å
18D94.6Very high95Very high105 Ų10575.7 Ų75.756%0.56136%0.364SS*.G310 helixtrans-97.31.8-170.5-59.83.8000112.4T15 P16T15-D18 PolarHBondContact O-N 3.23Å; T15-D18 PolarHBondContact OG1-OD1 3.19Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.13Å; P16-D18 PolarHBondContact O-N 3.17Å
19V96.3Very high95.1Very high0 Ų070 Ų700%034%0.34CS..  trans-91111.1-172.6178.50000110.7L11 R14 P16 E21 L22 E43 L44L11-V19 HydrophobicContact CD2-CG2 3.65Å; R14-V19 HydrophobicContact CB-CG2 4.45Å; P16-V19 PolarHBondContact O-N 3.29Å; V19-E21 WeakPolarHBondContact CG1-O 3.44Å; V19-L22 HydrophobicContact CG1-CB 4.41Å; V19-E43 CarbonylContact O-C 3.34Å; V19-L44 HydrophobicContact CG1-CD1 4.2Å; V19-L44 WeakPolarHBondContact O-CA 2.99Å; V19-L44 PolarHBondContact O-N 3.17Å
20K96.7Very high95.1Very high105 Ų10569 Ų6946%0.45734%0.335SS..SBendtrans-82-29.3174.4-61.4-167.9174.1-1650114.6E43 E45 F46K20-E43 WeakPolarHBondContact CA-O 3.07Å; K20-E45 PolarHBondContact O-N 2.97Å; K20-F46 PolarHBondContact O-N 3.05Å
21E97.2Very high95.1Very high114 Ų11474.3 Ų74.353%0.53336%0.36SS..EExtended strand (participates in β ladder)trans-132.6129.3-174.4-94.8172.1-158.400110.7V19 F46V19-E21 WeakPolarHBondContact CG1-O 3.44Å; E21-F46 HydrophobicContact CB-CD1 4.49Å; E21-F46 HydrophobicContact CG-CB 3.65Å; E21-F46 HydrophobicContact CG-CD1 3.89Å; E21-F46 HydrophobicContact CG-CG 4.06Å
22L97.3Very high95.2Very high1 Ų173.4 Ų73.41%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-134.6119.8177.4-172.562.8000111.6E10 V19 L24 L37 F41 L44 F46 L47 S48E10-L22 HydrophobicContact CB-CD1 3.66Å; E10-L22 HydrophobicContact CG-CD1 4.11Å; V19-L22 HydrophobicContact CG1-CB 4.41Å; L22-L24 HydrophobicContact CD1-CD2 3.96Å; L22-L24 HydrophobicContact CD2-CD1 4.14Å; L22-L24 HydrophobicContact CD2-CD2 4.28Å; L22-L24 HydrophobicContact CD2-CG 4.3Å; L22-L24 HydrophobicContact CG-CD1 4.38Å; L22-L24 HydrophobicContact CG-CD2 3.92Å; L22-L24 HydrophobicContact CG-CG 4.01Å; L22-L37 HydrophobicContact CD2-CD2 3.54Å; L22-F41 HydrophobicContact CD2-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CE1 3.93Å; L22-F41 HydrophobicContact CD2-CZ 4.43Å; L22-L44 HydrophobicContact CB-CD1 3.64Å; L22-F46 PolarHBondContact N-O 2.82Å; L22-L47 HydrophobicContact CB-CD1 4.21Å; L22-L47 HydrophobicContact CD2-CD1 4.2Å; L22-L47 HydrophobicContact CG-CD1 4.32Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L22-S48 PolarHBondContact O-N 3.43Å
23V97.2Very high95.4Very high51 Ų5167.9 Ų67.931%0.30934%0.337SS..EExtended strand (participates in β ladder)trans-112.6113.5179.6-179.10000110D25 F46V23-D25 HydrophobicContact CG1-CB 4.17Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.41Å; V23-F46 HydrophobicContact CG2-CE1 4.04Å
24L97Very high95.7Very high0 Ų060.2 Ų60.20%030%0.297CS..  trans-113.515.1-178-54.9-179.1000112.6M3 R6 I7 L22 S27 L37 L47 S48 T49 V52M3-L24 HydrophobicContact CG-CD1 4.07Å; M3-L24 HydrophobicContact SD-CD1 4.41Å; R6-L24 HydrophobicContact CB-CD2 4.34Å; R6-L24 HydrophobicContact CG-CD2 3.92Å; I7-L24 HydrophobicContact CD1-CD1 4.12Å; I7-L24 HydrophobicContact CG1-CD1 3.87Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.4Å; L22-L24 HydrophobicContact CD1-CD2 3.96Å; L22-L24 HydrophobicContact CD2-CD1 4.14Å; L22-L24 HydrophobicContact CD2-CD2 4.28Å; L22-L24 HydrophobicContact CD2-CG 4.3Å; L22-L24 HydrophobicContact CG-CD1 4.38Å; L22-L24 HydrophobicContact CG-CD2 3.92Å; L22-L24 HydrophobicContact CG-CG 4.01Å; L24-S27 WeakPolarHBondContact O-CB 3.19Å; L24-S27 PolarHBondContact O-N 2.76Å; L24-S27 PolarHBondContact O-OG 3.28Å; L24-L37 HydrophobicContact CD1-CD2 4.38Å; L24-L47 HydrophobicContact CD1-CD1 4.25Å; L24-S48 WeakPolarHBondContact CA-O 3.3Å; L24-S48 WeakPolarHBondContact CB-O 3.47Å; L24-S48 PolarHBondContact N-O 2.96Å; L24-T49 HydrophobicContact CB-CG2 4.12Å; L24-T49 HydrophobicContact CD1-CG2 4.17Å; L24-V52 WeakPolarHBondContact O-CG1 3.49Å
25D97.2Very high95.7Very high32 Ų3258.3 Ų58.317%0.17129%0.293CS..THydrogen-bonded Turntrans-56.7145.6-175.8-57.4-12.2000112.6V23 S27 S48 T49 I50V23-D25 HydrophobicContact CG1-CB 4.17Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.41Å; D25-S27 PolarHBondContact O-N 3.38Å; D25-S48 VanDerWaalsContact CG-OG 3.28Å; D25-S48 WeakPolarHBondContact OD1-CB 3.49Å; D25-S48 PolarHBondContact OD1-OG 2.94Å; D25-S48 PolarHBondContact OD2-OG 2.94Å; D25-T49 PolarHBondContact OD1-N 2.9Å; D25-I50 CarbonylContact C-O 3.57Å; D25-I50 VanDerWaalsContact CA-O 3.31Å; D25-I50 WeakPolarHBondContact CA-O 3.41Å; D25-I50 HydrophobicContact CB-CB 4.15Å; D25-I50 WeakPolarHBondContact OD1-CB 3.4Å; D25-I50 PolarHBondContact OD1-N 3.49Å
26N96.8Very high95.6Very high107 Ų10757.2 Ų57.257%0.57230%0.295SS*.THydrogen-bonded Turntrans56.519.2179.7-53.5-79.9000113.5I50 N51N26-I50 PolarHBondContact N-O 2.78Å; N26-N51 PolarHBondContact OD1-ND2 2.93Å; N26-N51 VanDerWaalsContact OD1-ND2 3.09Å
27S96.2Very high95.5Very high5 Ų556.8 Ų56.84%0.03529%0.291CS..  trans-78.5-174.8163.673.50000110.4M1 L24 D25 V52M1-S27 CarbonylContact O-C 3.43Å; M1-S27 VanDerWaalsContact O-CA 3.28Å; M1-S27 WeakPolarHBondContact O-CA 3.42Å; L24-S27 WeakPolarHBondContact O-CB 3.19Å; L24-S27 PolarHBondContact O-N 2.76Å; L24-S27 PolarHBondContact O-OG 3.28Å; D25-S27 PolarHBondContact O-N 3.38Å; S27-V52 WeakPolarHBondContact O-CA 3.4Å; S27-V52 VanDerWaalsContact OG-CG1 3.24Å; S27-V52 WeakPolarHBondContact OG-CG1 3.43Å
28R95.4Very high95.5Very high157 Ų15757.3 Ų57.359%0.59229%0.292SS*.BIsolated β-bridgetrans-129.3120.4176.9-65.5-171.2-60-171.82.1108.4M1 M3M1-R28 PolarHBondContact O-N 2.95Å; M3-R28 PolarHBondContact N-O 3.33Å
29S95.3Very high95.5Very high17 Ų1756.8 Ų56.812%0.11929%0.289CS..  trans-72.9145.6163.853.30000110.1G32 K33 V52 G53S29-G32 WeakPolarHBondContact OG-CA 3.38Å; S29-K33 WeakPolarHBondContact CB-O 3.21Å; S29-V52 PolarHBondContact N-O 3.49Å; S29-V52 PolarHBondContact OG-O 3.19Å; S29-G53 PolarHBondContact OG-O 3.19Å
30N93.9Very high95.5Very high69 Ų6962.4 Ų62.437%0.36932%0.316SS..BIsolated β-bridgetrans-86.8135.7165.6-63.3-44.8000108.2G32 K33 E35N30-G32 PolarHBondContact O-N 3.15Å; N30-K33 PolarHBondContact O-N 3.22Å; N30-E35 WeakPolarHBondContact CB-OE1 3.48Å; N30-E35 PolarHBondContact ND2-OE2 3.18Å
31E93.8Very high95.5Very high155 Ų15557.6 Ų57.672%0.72430%0.295SS*.THydrogen-bonded Turntrans55.315.7-178.7-54.9-178.7175.900115.8K33E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 HydrophobicContact CB-CD 4.43Å; E31-K33 IonicContact OE2-NZ 2.76Å; E31-K33 PolarHBondContact OE2-NZ 3.38Å
32G95Very high95.5Very high5 Ų558.2 Ų58.25%0.05230%0.298CS..THydrogen-bonded Turntrans71.626.4-17500000114.1S29 N30 G53 L54 T55 S56S29-G32 WeakPolarHBondContact OG-CA 3.38Å; N30-G32 PolarHBondContact O-N 3.15Å; G32-G53 VanDerWaalsContact CA-O 3.32Å; G32-G53 WeakPolarHBondContact CA-O 3.43Å; G32-L54 WeakPolarHBondContact O-CA 3.43Å; G32-L54 WeakPolarHBondContact O-CD2 3.42Å; G32-T55 PolarHBondContact O-N 3.18Å; G32-T55 PolarHBondContact O-OG1 2.85Å; G32-S56 PolarHBondContact O-N 2.83Å
33K95.7Very high95.5Very high80 Ų8061.1 Ų61.135%0.34831%0.311SS..BIsolated β-bridgetrans-114.9151.3178.8-63.4172.6-175.1156.20111.9S29 N30 E31S29-K33 WeakPolarHBondContact CB-O 3.21Å; N30-K33 PolarHBondContact O-N 3.22Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 HydrophobicContact CB-CD 4.43Å; E31-K33 IonicContact OE2-NZ 2.76Å; E31-K33 PolarHBondContact OE2-NZ 3.38Å
34L94.8Very high95.5Very high7 Ų758.7 Ų58.74%0.03730%0.296CS..  trans-68.7136.5169.4-70.7168.9000110M3 L37 T49 L54 N59 L60M3-L34 HydrophobicContact CE-CD2 3.96Å; M3-L34 HydrophobicContact SD-CD2 3.89Å; L34-L37 HydrophobicContact CD1-CD1 4.5Å; L34-L37 HydrophobicContact CD2-CD1 4.16Å; L34-T49 HydrophobicContact CD2-CG2 4.11Å; L34-L54 HydrophobicContact CD2-CD1 3.75Å; L34-L54 HydrophobicContact CD2-CD2 3.98Å; L34-L54 HydrophobicContact CD2-CG 4.46Å; L34-L54 HydrophobicContact CG-CD1 4.14Å; L34-L54 HydrophobicContact CG-CD2 3.81Å; L34-N59 HydrophobicContact CB-CB 4.18Å; L34-N59 WeakPolarHBondContact O-CB 3.49Å; L34-N59 PolarHBondContact O-ND2 3.32Å; L34-L60 HydrophobicContact CD1-CB 4.18Å; L34-L60 HydrophobicContact CD1-CD1 3.49Å; L34-L60 VanDerWaalsContact CD1-CD1 3.49Å; L34-L60 HydrophobicContact CD1-CG 4.45Å
35E93.4Very high95.6Very high73 Ų7359.7 Ų59.734%0.34130%0.301SS..  trans-139.5141.2-179.9-66.5-172.5164.800110.9I7 N30 L37I7-E35 VanDerWaalsContact CD1-O 3.29Å; I7-E35 WeakPolarHBondContact CD1-O 3.18Å; N30-E35 WeakPolarHBondContact CB-OE1 3.48Å; N30-E35 PolarHBondContact ND2-OE2 3.18Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 3.39Å
36G92Very high95.6Very high46 Ų4659.9 Ų59.947%0.47430%0.301SS..SBendtrans81.9-3.7177.300000115.3
37L94Very high95.7Very high19 Ų1954.8 Ų54.810%0.09927%0.274CS..  trans-85.7133.6166.3-63.8177000109.5I7 L22 L24 L34 E35 F41 L47 P61I7-L37 HydrophobicContact CD1-CD2 4.03Å; I7-L37 HydrophobicContact CD1-CG 4.2Å; L22-L37 HydrophobicContact CD2-CD2 3.54Å; L24-L37 HydrophobicContact CD1-CD2 4.38Å; L34-L37 HydrophobicContact CD1-CD1 4.5Å; L34-L37 HydrophobicContact CD2-CD1 4.16Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 3.39Å; L37-F41 HydrophobicContact CD2-CD2 4.37Å; L37-F41 HydrophobicContact CD2-CE2 4.09Å; L37-F41 HydrophobicContact CD2-CZ 4.21Å; L37-L47 HydrophobicContact CD1-CD1 4.38Å; L37-L47 HydrophobicContact CD1-CD2 3.89Å; L37-P61 HydrophobicContact CB-CG 3.81Å
38T95.3Very high95.8Very high55 Ų5554.8 Ų54.834%0.33727%0.273SS..  trans-130.8174.3-179.161.70000110E40 F41 P61T38-E40 PolarHBondContact O-N 3.17Å; T38-E40 WeakPolarHBondContact OG1-CB 3.19Å; T38-E40 PolarHBondContact OG1-N 2.81Å; T38-F41 WeakPolarHBondContact O-CD2 3.38Å; T38-P61 WeakPolarHBondContact O-CB 3.43Å; T38-P61 WeakPolarHBondContact O-CG 3.37Å
39D95.2Very high95.9Very high94 Ų9447.3 Ų47.350%0.50325%0.245SC..THydrogen-bonded Turntrans-70.2-5.2174.3-67.9-5.8000112.4F41 P61 K62D39-F41 PolarHBondContact O-N 2.82Å; D39-P61 WeakPolarHBondContact OD1-CA 3.42Å; D39-P61 WeakPolarHBondContact OD1-CB 3.46Å; D39-K62 PolarHBondContact OD1-N 3.36Å
40E96.7Very high96Very high118 Ų11848.5 Ų48.555%0.55125%0.25SC*.THydrogen-bonded Turntrans-71.8-13.1178.4-59.3179.9162.200113.6P16 S17 T38 E42P16-E40 CarbonylContact C-O 3.48Å; P16-E40 HydrophobicContact CB-CB 3.99Å; S17-E40 WeakPolarHBondContact CA-O 3.39Å; S17-E40 PolarHBondContact N-O 3.06Å; S17-E40 VanDerWaalsContact N-O 3.15Å; T38-E40 PolarHBondContact O-N 3.17Å; T38-E40 WeakPolarHBondContact OG1-CB 3.19Å; T38-E40 PolarHBondContact OG1-N 2.81Å; E40-E42 PolarHBondContact O-N 3.32Å
41F96.8Very high96.2Very high4 Ų449.1 Ų49.12%0.01825%0.253CS..  trans-80.656.7177-69.4-91.1000111I7 L11 P16 L22 L37 T38 D39 E43 L44 L63I7-F41 HydrophobicContact CG2-CZ 3.97Å; L11-F41 HydrophobicContact CD2-CE1 4.05Å; P16-F41 HydrophobicContact CB-CD1 4.04Å; P16-F41 HydrophobicContact CB-CD2 4.2Å; P16-F41 HydrophobicContact CB-CE1 3.94Å; P16-F41 HydrophobicContact CB-CE2 4.1Å; P16-F41 HydrophobicContact CB-CG 4.18Å; P16-F41 HydrophobicContact CB-CZ 3.97Å; L22-F41 HydrophobicContact CD2-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CE1 3.93Å; L22-F41 HydrophobicContact CD2-CZ 4.43Å; L37-F41 HydrophobicContact CD2-CD2 4.37Å; L37-F41 HydrophobicContact CD2-CE2 4.09Å; L37-F41 HydrophobicContact CD2-CZ 4.21Å; T38-F41 WeakPolarHBondContact O-CD2 3.38Å; D39-F41 PolarHBondContact O-N 2.82Å; F41-E43 PolarHBondContact O-N 2.86Å; F41-L44 HydrophobicContact CB-CB 4.08Å; F41-L44 HydrophobicContact CB-CD2 4.27Å; F41-L44 WeakPolarHBondContact O-CB 3.41Å; F41-L44 PolarHBondContact O-N 3.05Å; F41-L63 HydrophobicContact CB-CD2 3.87Å
42E95.8Very high96.4Very high127 Ų12742 Ų4259%0.59322%0.22SC*.THydrogen-bonded Turntrans-65.8-37.9-168.9-64-175.5-178.800113.2E40 K65E40-E42 PolarHBondContact O-N 3.32Å; E42-K65 WeakPolarHBondContact O-CD 3.38Å
43E97.4Very high96.5Very high62 Ų6243.3 Ų43.329%0.2923%0.234SC..THydrogen-bonded Turntrans-88.45-179.7-62.3-59.2134.500114.3S17 V19 K20 F41 E45 K65S17-E43 WeakPolarHBondContact O-CB 3.19Å; S17-E43 WeakPolarHBondContact O-CG 3.4Å; V19-E43 CarbonylContact O-C 3.34Å; K20-E43 WeakPolarHBondContact CA-O 3.07Å; F41-E43 PolarHBondContact O-N 2.86Å; E43-E45 WeakPolarHBondContact O-CG 3.4Å; E43-E45 PolarHBondContact O-N 3Å; E43-K65 IonicContact OE1-NZ 2.6Å; E43-K65 PolarHBondContact OE1-NZ 3.42Å; E43-K65 WeakPolarHBondContact OE2-CD 3.41Å; E43-K65 IonicContact OE2-NZ 2.7Å; E43-K65 PolarHBondContact OE2-NZ 2.79Å
44L98Very high96.6Very high0 Ų039.5 Ų39.50%022%0.217CC..  trans-69.4115.2-174.4-170.270.6000111.6V19 L22 F41 F46 L47 L63 K65 L66V19-L44 HydrophobicContact CG1-CD1 4.2Å; V19-L44 WeakPolarHBondContact O-CA 2.99Å; V19-L44 PolarHBondContact O-N 3.17Å; L22-L44 HydrophobicContact CB-CD1 3.64Å; F41-L44 HydrophobicContact CB-CB 4.08Å; F41-L44 HydrophobicContact CB-CD2 4.27Å; F41-L44 WeakPolarHBondContact O-CB 3.41Å; F41-L44 PolarHBondContact O-N 3.05Å; L44-F46 WeakPolarHBondContact CD1-O 3.49Å; L44-L47 HydrophobicContact CD2-CB 4.23Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.23Å; L44-K65 CarbonylContact O-C 3.59Å; L44-L66 HydrophobicContact CD2-CD1 4.31Å; L44-L66 HydrophobicContact CG-CD1 4.16Å; L44-L66 WeakPolarHBondContact O-CA 3.5Å; L44-L66 PolarHBondContact O-N 2.93Å
45E98.3Very high96.7Very high21 Ų2142.3 Ų42.310%0.09824%0.235CC..  trans-102.4-28.2-179.9-60.2-169.9118.500112.5K20 E43 K65 K67 K68 Y163K20-E45 PolarHBondContact O-N 2.97Å; E43-E45 WeakPolarHBondContact O-CG 3.4Å; E43-E45 PolarHBondContact O-N 3Å; E45-K65 WeakPolarHBondContact CA-O 3.34Å; E45-K67 PolarHBondContact O-N 2.88Å; E45-K67 IonicContact OE1-NZ 2.78Å; E45-K67 PolarHBondContact OE1-NZ 2.97Å; E45-K68 PolarHBondContact O-N 3.06Å; E45-Y163 HydrophobicContact CB-CE1 3.94Å; E45-Y163 HydrophobicContact CG-CE1 4.4Å; E45-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E45-Y163 WeakPolarHBondContact OE2-CE1 3.38Å
46F98.2Very high96.8Very high36 Ų3640.8 Ų40.816%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-134.2127-178.6173.8-85.8000111.9K20 E21 L22 V23 L44 K68 E70K20-F46 PolarHBondContact O-N 3.05Å; E21-F46 HydrophobicContact CB-CD1 4.49Å; E21-F46 HydrophobicContact CG-CB 3.65Å; E21-F46 HydrophobicContact CG-CD1 3.89Å; E21-F46 HydrophobicContact CG-CG 4.06Å; L22-F46 PolarHBondContact N-O 2.82Å; V23-F46 HydrophobicContact CG2-CE1 4.04Å; L44-F46 WeakPolarHBondContact CD1-O 3.49Å; F46-K68 WeakPolarHBondContact CA-O 3.33Å; F46-K68 HydrophobicContact CD2-CB 3.8Å; F46-K68 HydrophobicContact CD2-CD 3.75Å; F46-K68 HydrophobicContact CD2-CG 3.63Å; F46-K68 HydrophobicContact CE2-CB 4.46Å; F46-K68 HydrophobicContact CE2-CD 3.73Å; F46-K68 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CE2-CG 4.08Å; F46-E70 HydrophobicContact CZ-CG 4.13Å
47L98.1Very high97.1Very high1 Ų138.7 Ų38.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-126.9124176177.660.4000110.2L22 L24 L37 L44 T49 L60 L63 L66 K68 L69 E70L22-L47 HydrophobicContact CB-CD1 4.21Å; L22-L47 HydrophobicContact CD2-CD1 4.2Å; L22-L47 HydrophobicContact CG-CD1 4.32Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L24-L47 HydrophobicContact CD1-CD1 4.25Å; L37-L47 HydrophobicContact CD1-CD1 4.38Å; L37-L47 HydrophobicContact CD1-CD2 3.89Å; L44-L47 HydrophobicContact CD2-CB 4.23Å; L47-T49 HydrophobicContact CD1-CG2 4.07Å; L47-T49 HydrophobicContact CG-CG2 4.2Å; L47-L60 HydrophobicContact CD2-CD1 4.18Å; L47-L63 HydrophobicContact CD2-CD1 4.35Å; L47-L66 HydrophobicContact CB-CD1 3.73Å; L47-K68 PolarHBondContact N-O 2.92Å; L47-L69 HydrophobicContact CB-CD1 3.99Å; L47-L69 HydrophobicContact CD2-CD1 3.88Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.5Å; L47-E70 PolarHBondContact O-N 2.99Å
48S98.3Very high97.1Very high4 Ų440.6 Ų40.63%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-116.6125.6173.7-168.90000111.8L22 L24 D25 I50L22-S48 PolarHBondContact O-N 3.43Å; L24-S48 WeakPolarHBondContact CA-O 3.3Å; L24-S48 WeakPolarHBondContact CB-O 3.47Å; L24-S48 PolarHBondContact N-O 2.96Å; D25-S48 VanDerWaalsContact CG-OG 3.28Å; D25-S48 WeakPolarHBondContact OD1-CB 3.49Å; D25-S48 PolarHBondContact OD1-OG 2.94Å; D25-S48 PolarHBondContact OD2-OG 2.94Å; S48-I50 WeakPolarHBondContact OG-CG1 3.44Å
49T97.7Very high97.1Very high1 Ų142 Ų421%0.00623%0.234CC..  trans-134.549.3-179.152.50000110.6L24 D25 L34 L47 V52 E70 L71 N74L24-T49 HydrophobicContact CB-CG2 4.12Å; L24-T49 HydrophobicContact CD1-CG2 4.17Å; D25-T49 PolarHBondContact OD1-N 2.9Å; L34-T49 HydrophobicContact CD2-CG2 4.11Å; L47-T49 HydrophobicContact CD1-CG2 4.07Å; L47-T49 HydrophobicContact CG-CG2 4.2Å; T49-V52 WeakPolarHBondContact O-CG2 3.4Å; T49-E70 PolarHBondContact N-O 2.92Å; T49-E70 PolarHBondContact OG1-O 3.04Å; T49-E70 VanDerWaalsContact OG1-O 3.09Å; T49-L71 VanDerWaalsContact OG1-CD2 3.26Å; T49-L71 WeakPolarHBondContact OG1-CD2 3.36Å; T49-N74 PolarHBondContact O-ND2 2.96Å
50I98Very high97.2Very high41 Ų4137.8 Ų37.821%0.2121%0.211CC..THydrogen-bonded Turntrans-75.4133.9-175.1-56.2177.8000110.5D25 N26 S48 V52 E70 S72 D73D25-I50 CarbonylContact C-O 3.57Å; D25-I50 VanDerWaalsContact CA-O 3.31Å; D25-I50 WeakPolarHBondContact CA-O 3.41Å; D25-I50 HydrophobicContact CB-CB 4.15Å; D25-I50 WeakPolarHBondContact OD1-CB 3.4Å; D25-I50 PolarHBondContact OD1-N 3.49Å; N26-I50 PolarHBondContact N-O 2.78Å; S48-I50 WeakPolarHBondContact OG-CG1 3.44Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 2.91Å; I50-E70 HydrophobicContact CD1-CB 4.25Å; I50-E70 HydrophobicContact CG1-CB 4.12Å; I50-S72 WeakPolarHBondContact CA-O 3.33Å; I50-S72 WeakPolarHBondContact CD1-OG 3.41Å; I50-S72 VanDerWaalsContact CG1-OG 3.26Å; I50-S72 WeakPolarHBondContact CG1-OG 3.49Å; I50-S72 WeakPolarHBondContact CG2-OG 3.37Å; I50-D73 HydrophobicContact CG2-CB 4.33Å
51N97.8Very high97.2Very high82 Ų8232.6 Ų32.644%0.43919%0.188SC..THydrogen-bonded Turntrans52.747.8174.7-176.136.3000113.2N26 S72 D73N26-N51 PolarHBondContact OD1-ND2 2.93Å; N26-N51 VanDerWaalsContact OD1-ND2 3.09Å; N51-S72 PolarHBondContact N-O 2.91Å; N51-S72 VanDerWaalsContact N-O 3.08Å; N51-D73 WeakPolarHBondContact CA-O 3.29Å; N51-D73 HydrophobicContact CB-CB 3.97Å
52V97.4Very high97.2Very high5 Ų537.4 Ų37.43%0.0321%0.209CC..SBendtrans-105.1-3.4178.1-56.40000113.1M3 L24 S27 S29 T49 I50 L54 N74M3-V52 HydrophobicContact CE-CB 4.03Å; M3-V52 HydrophobicContact CE-CG1 4.39Å; M3-V52 HydrophobicContact CE-CG2 3.9Å; L24-V52 WeakPolarHBondContact O-CG1 3.49Å; S27-V52 WeakPolarHBondContact O-CA 3.4Å; S27-V52 VanDerWaalsContact OG-CG1 3.24Å; S27-V52 WeakPolarHBondContact OG-CG1 3.43Å; S29-V52 PolarHBondContact N-O 3.49Å; S29-V52 PolarHBondContact OG-O 3.19Å; T49-V52 WeakPolarHBondContact O-CG2 3.4Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 2.91Å; V52-L54 HydrophobicContact CG2-CB 4.38Å; V52-L54 HydrophobicContact CG2-CD1 3.64Å; V52-L54 HydrophobicContact CG2-CG 3.56Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.12Å; V52-N74 PolarHBondContact N-OD1 3.43Å
53G97Very high97.3Very high33 Ų3331.4 Ų31.434%0.3418%0.181SC..  trans82.720.8177.800000115.1S29 G32 N74S29-G53 PolarHBondContact OG-O 3.19Å; G32-G53 VanDerWaalsContact CA-O 3.32Å; G32-G53 WeakPolarHBondContact CA-O 3.43Å; G53-N74 PolarHBondContact N-OD1 3.17Å
54L97.9Very high97.2Very high0 Ų031.8 Ų31.80%019%0.185CC..  trans-61.7138.3177.8-73.1164.5000111G32 L34 V52 L71 N74 R75 V76G32-L54 WeakPolarHBondContact O-CA 3.43Å; G32-L54 WeakPolarHBondContact O-CD2 3.42Å; L34-L54 HydrophobicContact CD2-CD1 3.75Å; L34-L54 HydrophobicContact CD2-CD2 3.98Å; L34-L54 HydrophobicContact CD2-CG 4.46Å; L34-L54 HydrophobicContact CG-CD1 4.14Å; L34-L54 HydrophobicContact CG-CD2 3.81Å; V52-L54 HydrophobicContact CG2-CB 4.38Å; V52-L54 HydrophobicContact CG2-CD1 3.64Å; V52-L54 HydrophobicContact CG2-CG 3.56Å; L54-L71 HydrophobicContact CD1-CD2 3.89Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.14Å; L54-R75 CarbonylContact O-C 3.49Å; L54-R75 WeakPolarHBondContact O-CA 3.42Å; L54-R75 WeakPolarHBondContact O-CB 3.49Å; L54-R75 PolarHBondContact O-N 2.95Å; L54-V76 HydrophobicContact CB-CG2 4.38Å
55T97.5Very high97.2Very high67 Ų6736.1 Ų36.141%0.41120%0.204SC..SBendtrans-111.9-18.3170.959.80000111.5G32 R75G32-T55 PolarHBondContact O-N 3.18Å; G32-T55 PolarHBondContact O-OG1 2.85Å; T55-R75 HydrophobicContact CG2-CB 4.25Å
56S96.4Very high97.2Very high40 Ų4035.1 Ų35.128%0.2820%0.199SC..  trans-149.4152.6179.21770000110.5G32 A58G32-S56 PolarHBondContact O-N 2.83Å; S56-A58 WeakPolarHBondContact OG-CB 3.47Å; S56-A58 PolarHBondContact OG-N 3.21Å; S56-A58 VanDerWaalsContact OG-N 3.15Å
57I96.7Very high97.2Very high2 Ų236.6 Ų36.61%0.0121%0.205CC..  trans-10813.6174.459.3168.8000112.4N59 L60 L71 V76 L80 L83I57-N59 PolarHBondContact O-N 3.3Å; I57-N59 VanDerWaalsContact O-N 3.09Å; I57-L60 WeakPolarHBondContact O-CB 3.47Å; I57-L60 PolarHBondContact O-N 3.13Å; I57-L71 HydrophobicContact CG2-CD1 3.96Å; I57-L71 HydrophobicContact CG2-CD2 3.93Å; I57-V76 HydrophobicContact CG2-CG2 4.11Å; I57-L80 HydrophobicContact CD1-CD2 3.89Å; I57-L83 HydrophobicContact CD1-CD1 4.03Å; I57-L83 HydrophobicContact CD1-CD2 3.72Å; I57-L83 HydrophobicContact CD1-CG 3.64Å
58A95.5Very high97.2Very high59 Ų5938.3 Ų38.349%0.48821%0.213SC..THydrogen-bonded Turntrans-59.8-24.7-175.300000114.6S56 L60S56-A58 WeakPolarHBondContact OG-CB 3.47Å; S56-A58 PolarHBondContact OG-N 3.21Å; S56-A58 VanDerWaalsContact OG-N 3.15Å; A58-L60 VanDerWaalsContact C-N 3.28Å; A58-L60 PolarHBondContact O-N 3.25Å
59N95.5Very high97.2Very high85 Ų8538.3 Ų38.346%0.45521%0.212SC..THydrogen-bonded Turntrans-88.112.4179.7-74.823000113.3L34 I57 P61L34-N59 HydrophobicContact CB-CB 4.18Å; L34-N59 WeakPolarHBondContact O-CB 3.49Å; L34-N59 PolarHBondContact O-ND2 3.32Å; I57-N59 PolarHBondContact O-N 3.3Å; I57-N59 VanDerWaalsContact O-N 3.09Å; N59-P61 WeakPolarHBondContact O-CD 3.5Å
60L96.5Very high97.2Very high5 Ų539.6 Ų39.63%0.02622%0.218CC..  trans-67.2124.7177.5-162.870.9000109.8L34 L47 I57 A58 L63 V82 L83 K86 C87L34-L60 HydrophobicContact CD1-CB 4.18Å; L34-L60 HydrophobicContact CD1-CD1 3.49Å; L34-L60 VanDerWaalsContact CD1-CD1 3.49Å; L34-L60 HydrophobicContact CD1-CG 4.45Å; L47-L60 HydrophobicContact CD2-CD1 4.18Å; I57-L60 WeakPolarHBondContact O-CB 3.47Å; I57-L60 PolarHBondContact O-N 3.13Å; A58-L60 VanDerWaalsContact C-N 3.28Å; A58-L60 PolarHBondContact O-N 3.25Å; L60-L63 HydrophobicContact CD1-CD1 4.19Å; L60-L63 HydrophobicContact CG-CD1 4.46Å; L60-V82 HydrophobicContact CB-CG1 4.15Å; L60-L83 HydrophobicContact CD2-CD2 3.85Å; L60-K86 HydrophobicContact CD2-CB 4.45Å; L60-C87 WeakPolarHBondContact CD2-SG 2.97Å
61P96.4Very high97.3Very high10 Ų1037.7 Ų37.77%0.06521%0.209CC..  trans-69171.9173.229.8-34.6000111.1L37 T38 D39 N59 L63 K86L37-P61 HydrophobicContact CB-CG 3.81Å; T38-P61 WeakPolarHBondContact O-CB 3.43Å; T38-P61 WeakPolarHBondContact O-CG 3.37Å; D39-P61 WeakPolarHBondContact OD1-CA 3.42Å; D39-P61 WeakPolarHBondContact OD1-CB 3.46Å; N59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-L63 HydrophobicContact CG-CD1 4.27Å; P61-L63 HydrophobicContact CG-CD2 4.06Å; P61-L63 HydrophobicContact CG-CG 4.06Å; P61-L63 PolarHBondContact O-N 2.84Å; P61-K86 WeakPolarHBondContact O-CB 3.5Å
62K96.8Very high97.3Very high105 Ų10534.3 Ų34.346%0.45719%0.192SC..  trans-74114.1174.2-171.7176.5-177.5-1780108.9D39 N64 K86D39-K62 PolarHBondContact OD1-N 3.36Å; K62-N64 WeakPolarHBondContact CE-OD1 2.93Å; K62-N64 WeakPolarHBondContact CG-OD1 3.49Å; K62-K86 HydrophobicContact CB-CD 4.25Å
63L97.5Very high97.3Very high1 Ų138.5 Ų38.51%0.00521%0.214CC..  trans-123.781.4-177.8-59.5171.5000108.9F41 L44 L47 L60 P61 K65 L66 K86F41-L63 HydrophobicContact CB-CD2 3.87Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.23Å; L47-L63 HydrophobicContact CD2-CD1 4.35Å; L60-L63 HydrophobicContact CD1-CD1 4.19Å; L60-L63 HydrophobicContact CG-CD1 4.46Å; P61-L63 HydrophobicContact CG-CD1 4.27Å; P61-L63 HydrophobicContact CG-CD2 4.06Å; P61-L63 HydrophobicContact CG-CG 4.06Å; P61-L63 PolarHBondContact O-N 2.84Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 2.81Å; L63-L66 HydrophobicContact CB-CB 3.82Å; L63-L66 HydrophobicContact CB-CD2 4.43Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-L66 WeakPolarHBondContact O-CB 3.32Å; L63-L66 PolarHBondContact O-N 3.32Å; L63-K86 CarbonylContact C-O 3.53Å; L63-K86 PolarHBondContact N-O 3.2Å
64N96Very high97.3Very high70 Ų7037.2 Ų37.237%0.37420%0.199SC..THydrogen-bonded Turntrans-68.1-29-171.7-61.8-44.3000113.2K62 N89K62-N64 WeakPolarHBondContact CE-OD1 2.93Å; K62-N64 WeakPolarHBondContact CG-OD1 3.49Å; N64-N89 WeakPolarHBondContact O-CB 3.5Å; N64-N89 PolarHBondContact O-ND2 3.38Å
65K97.8Very high97.3Very high90 Ų9045.4 Ų45.439%0.39123%0.23SC..THydrogen-bonded Turntrans-89.1-3.4179.8-69.8-174.1166.4178.30113.4E42 E43 L44 E45 L63 K67E42-K65 WeakPolarHBondContact O-CD 3.38Å; E43-K65 IonicContact OE1-NZ 2.6Å; E43-K65 PolarHBondContact OE1-NZ 3.42Å; E43-K65 WeakPolarHBondContact OE2-CD 3.41Å; E43-K65 IonicContact OE2-NZ 2.7Å; E43-K65 PolarHBondContact OE2-NZ 2.79Å; L44-K65 CarbonylContact O-C 3.59Å; E45-K65 WeakPolarHBondContact CA-O 3.34Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 2.81Å; K65-K67 PolarHBondContact O-N 2.98Å; K65-K67 VanDerWaalsContact O-N 3.17Å
66L98.3Very high97.3Very high0 Ų042.2 Ų42.20%021%0.21CC..  trans-66.8116.8-177.1-167.775.7000110.8L44 L47 L63 L69 C87 N89 L90L44-L66 HydrophobicContact CD2-CD1 4.31Å; L44-L66 HydrophobicContact CG-CD1 4.16Å; L44-L66 WeakPolarHBondContact O-CA 3.5Å; L44-L66 PolarHBondContact O-N 2.93Å; L47-L66 HydrophobicContact CB-CD1 3.73Å; L63-L66 HydrophobicContact CB-CB 3.82Å; L63-L66 HydrophobicContact CB-CD2 4.43Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-L66 WeakPolarHBondContact O-CB 3.32Å; L63-L66 PolarHBondContact O-N 3.32Å; L66-L69 HydrophobicContact CD2-CB 4.22Å; L66-L69 HydrophobicContact CD2-CD1 4.43Å; L66-L69 HydrophobicContact CD2-CD2 4.49Å; L66-C87 HydrophobicContact CD2-CB 4.33Å; L66-N89 CarbonylContact O-C 3.58Å; L66-L90 HydrophobicContact CD2-CD1 4.14Å; L66-L90 HydrophobicContact CG-CD1 4.18Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3.07Å
67K98.1Very high97.4Very high67 Ų6743.8 Ų43.829%0.29122%0.222SC..  trans-103.1-33.2-179.6-72.4167.2-178.5163.10112E45 K65 T91 H92 Y163E45-K67 PolarHBondContact O-N 2.88Å; E45-K67 IonicContact OE1-NZ 2.78Å; E45-K67 PolarHBondContact OE1-NZ 2.97Å; K65-K67 PolarHBondContact O-N 2.98Å; K65-K67 VanDerWaalsContact O-N 3.17Å; K67-T91 PolarHBondContact O-N 3.23Å; K67-T91 PolarHBondContact O-OG1 3.47Å; K67-H92 PolarHBondContact O-N 3.01Å; K67-Y163 HydrophobicContact CD-CD1 3.93Å; K67-Y163 HydrophobicContact CD-CE1 3.96Å
68K98.3Very high97.3Very high38 Ų3844.8 Ų44.817%0.16523%0.232CC..EExtended strand (participates in β ladder)trans-133.2130.1-176.8-179.3164.3-177.8175.40111.9E45 F46 L47 E70 H92 S158E45-K68 PolarHBondContact O-N 3.06Å; F46-K68 WeakPolarHBondContact CA-O 3.33Å; F46-K68 HydrophobicContact CD2-CB 3.8Å; F46-K68 HydrophobicContact CD2-CD 3.75Å; F46-K68 HydrophobicContact CD2-CG 3.63Å; F46-K68 HydrophobicContact CE2-CB 4.46Å; F46-K68 HydrophobicContact CE2-CD 3.73Å; F46-K68 HydrophobicContact CE2-CG 3.78Å; L47-K68 PolarHBondContact N-O 2.92Å; K68-E70 WeakPolarHBondContact CE-OE1 3.33Å; K68-E70 IonicContact NZ-OE1 3.18Å; K68-H92 WeakPolarHBondContact CA-O 3.48Å; K68-H92 HydrophobicContact CB-CB 4.02Å; K68-H92 HydrophobicContact CD-CB 4.12Å; K68-H92 HydrophobicContact CG-CB 3.8Å; K68-S158 PolarHBondContact NZ-OG 3.2Å
69L98.4Very high97.3Very high3 Ų343.2 Ų43.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-130.2116.3-178.3179.257.5000111L47 L66 L71 L83 L90 H92 L93 N94L47-L69 HydrophobicContact CB-CD1 3.99Å; L47-L69 HydrophobicContact CD2-CD1 3.88Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.5Å; L66-L69 HydrophobicContact CD2-CB 4.22Å; L66-L69 HydrophobicContact CD2-CD1 4.43Å; L66-L69 HydrophobicContact CD2-CD2 4.49Å; L69-L71 HydrophobicContact CD1-CG 4.16Å; L69-L71 HydrophobicContact CD2-CD1 3.77Å; L69-L71 HydrophobicContact CD2-CG 4.31Å; L69-L71 HydrophobicContact CG-CD1 3.94Å; L69-L71 HydrophobicContact CG-CG 3.97Å; L69-L83 HydrophobicContact CD2-CD2 3.62Å; L69-L90 HydrophobicContact CB-CD1 3.7Å; L69-L90 HydrophobicContact CB-CD2 4.31Å; L69-H92 PolarHBondContact N-O 3.07Å; L69-L93 HydrophobicContact CB-CD1 4.18Å; L69-L93 HydrophobicContact CD2-CD1 4.09Å; L69-L93 HydrophobicContact CG-CD1 4.15Å; L69-N94 PolarHBondContact O-N 3.06Å
70E98.4Very high97.4Very high28 Ų2839.2 Ų39.213%0.13120%0.2CC..EExtended strand (participates in β ladder)trans-102.6113.1176-59.1-73.5157.600110.1F46 L47 T49 I50 K68 N94F46-E70 HydrophobicContact CE2-CG 4.08Å; F46-E70 HydrophobicContact CZ-CG 4.13Å; L47-E70 PolarHBondContact O-N 2.99Å; T49-E70 PolarHBondContact N-O 2.92Å; T49-E70 PolarHBondContact OG1-O 3.04Å; T49-E70 VanDerWaalsContact OG1-O 3.09Å; I50-E70 HydrophobicContact CD1-CB 4.25Å; I50-E70 HydrophobicContact CG1-CB 4.12Å; K68-E70 WeakPolarHBondContact CE-OE1 3.33Å; K68-E70 IonicContact NZ-OE1 3.18Å; E70-N94 WeakPolarHBondContact OE2-CB 3.24Å; E70-N94 VanDerWaalsContact OE2-CG 3.28Å; E70-N94 PolarHBondContact OE2-ND2 3.07Å
71L98.2Very high97.4Very high2 Ų243.1 Ų43.11%0.0122%0.219CC..  trans-118.717.9179.2-73.6164.1000112T49 L54 I57 L69 N74 L93 N94 L95 N98T49-L71 VanDerWaalsContact OG1-CD2 3.26Å; T49-L71 WeakPolarHBondContact OG1-CD2 3.36Å; L54-L71 HydrophobicContact CD1-CD2 3.89Å; I57-L71 HydrophobicContact CG2-CD1 3.96Å; I57-L71 HydrophobicContact CG2-CD2 3.93Å; L69-L71 HydrophobicContact CD1-CG 4.16Å; L69-L71 HydrophobicContact CD2-CD1 3.77Å; L69-L71 HydrophobicContact CD2-CG 4.31Å; L69-L71 HydrophobicContact CG-CD1 3.94Å; L69-L71 HydrophobicContact CG-CG 3.97Å; L71-N74 PolarHBondContact O-ND2 3.2Å; L71-L93 HydrophobicContact CD1-CD1 4.18Å; L71-N94 WeakPolarHBondContact CA-O 3.14Å; L71-N94 WeakPolarHBondContact CB-O 3.35Å; L71-N94 PolarHBondContact N-O 2.81Å; L71-L95 HydrophobicContact CB-CD2 4.06Å; L71-L95 HydrophobicContact CD1-CD2 3.87Å; L71-N98 PolarHBondContact O-ND2 2.77Å
72S97.9Very high97.4Very high11 Ų1143.8 Ų43.88%0.07722%0.222CC..THydrogen-bonded Turntrans-62.7155.3-174.259.20000113.3I50 N51 N74 S96I50-S72 WeakPolarHBondContact CA-O 3.33Å; I50-S72 WeakPolarHBondContact CD1-OG 3.41Å; I50-S72 VanDerWaalsContact CG1-OG 3.26Å; I50-S72 WeakPolarHBondContact CG1-OG 3.49Å; I50-S72 WeakPolarHBondContact CG2-OG 3.37Å; N51-S72 PolarHBondContact N-O 2.91Å; N51-S72 VanDerWaalsContact N-O 3.08Å; S72-N74 PolarHBondContact O-N 3.47Å; S72-N74 PolarHBondContact O-ND2 3.12Å; S72-S96 CarbonylContact C-O 3.39Å; S72-S96 WeakPolarHBondContact CA-O 3.48Å; S72-S96 WeakPolarHBondContact CB-OG 3.26Å
73D97.7Very high97.5Very high93 Ų9338.8 Ų38.850%0.49720%0.2SC..THydrogen-bonded Turntrans55.634.3-179.6-71.6-25000114.7I50 N51 S96I50-D73 HydrophobicContact CG2-CB 4.33Å; N51-D73 WeakPolarHBondContact CA-O 3.29Å; N51-D73 HydrophobicContact CB-CB 3.97Å; D73-S96 PolarHBondContact N-O 2.88Å
74N98.1Very high97.3Very high6 Ų639.9 Ų39.93%0.03221%0.21CC..SBendtrans-105.3-163.1169.6-73.2-66.6000111.3T49 V52 G53 L54 L71 S72 V76 N98T49-N74 PolarHBondContact O-ND2 2.96Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.12Å; V52-N74 PolarHBondContact N-OD1 3.43Å; G53-N74 PolarHBondContact N-OD1 3.17Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.14Å; L71-N74 PolarHBondContact O-ND2 3.2Å; S72-N74 PolarHBondContact O-N 3.47Å; S72-N74 PolarHBondContact O-ND2 3.12Å; N74-V76 HydrophobicContact CB-CG2 4.37Å; N74-N98 WeakPolarHBondContact CA-OD1 3.49Å; N74-N98 WeakPolarHBondContact CB-OD1 3.31Å
75R97.8Very high97.3Very high171 Ų17142.8 Ų42.865%0.64522%0.221SC*.  trans-129.225.9-179-57.6-179.7-175.7-173.61.6111.9L54 T55 S77 N98 K99L54-R75 CarbonylContact O-C 3.49Å; L54-R75 WeakPolarHBondContact O-CA 3.42Å; L54-R75 WeakPolarHBondContact O-CB 3.49Å; L54-R75 PolarHBondContact O-N 2.95Å; T55-R75 HydrophobicContact CG2-CB 4.25Å; R75-S77 PolarHBondContact O-N 2.79Å; R75-N98 PolarHBondContact N-OD1 2.95Å; R75-K99 HydrophobicContact CB-CG 4.5Å
76V97.8Very high97.2Very high0 Ų041.7 Ų41.70%022%0.216CC..  trans-62.5131177.6-179.20000108.8L54 I57 N74 L80 N98 K99L54-V76 HydrophobicContact CB-CG2 4.38Å; I57-V76 HydrophobicContact CG2-CG2 4.11Å; N74-V76 HydrophobicContact CB-CG2 4.37Å; V76-L80 HydrophobicContact CG1-CD2 4.27Å; V76-N98 HydrophobicContact CB-CB 4.43Å; V76-N98 WeakPolarHBondContact CB-OD1 3.37Å; V76-N98 PolarHBondContact N-OD1 2.78Å; V76-N98 WeakPolarHBondContact O-CB 3.34Å; V76-K99 CarbonylContact O-C 3.19Å; V76-K99 WeakPolarHBondContact O-CA 3.29Å; V76-K99 PolarHBondContact O-N 3.13Å
77S96.7Very high97.2Very high74 Ų7441.7 Ų41.752%0.51722%0.216SC..  trans-125.45.5-178.165.90000113.9R75 T105R75-S77 PolarHBondContact O-N 2.79Å; S77-T105 WeakPolarHBondContact O-CG2 3.29Å
78G95.4Very high97.1Very high22 Ų2241 Ų4123%0.22722%0.218CC..SBendtrans163.7-164.7-176.500000112L80G78-L80 VanDerWaalsContact C-N 3.32Å
79G95.9Very high97.1Very high27 Ų2742.6 Ų42.628%0.27823%0.229SC..  trans73.324.8-17700000113.4E81G79-E81 VanDerWaalsContact CA-OE2 3.24Å; G79-E81 WeakPolarHBondContact CA-OE2 3.35Å; G79-E81 PolarHBondContact O-N 2.76Å
80L97.1Very high97.1Very high0 Ų042.4 Ų42.40%023%0.228CC..THydrogen-bonded Turntrans-74.8-13.7-176.9-60.6-171.8000112.9I57 V76 G78 V82 L83 L95 T105 I106 L109I57-L80 HydrophobicContact CD1-CD2 3.89Å; V76-L80 HydrophobicContact CG1-CD2 4.27Å; G78-L80 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 2.84Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 WeakPolarHBondContact O-CB 3.22Å; L80-L83 PolarHBondContact O-N 2.95Å; L80-L83 VanDerWaalsContact O-N 3.07Å; L80-L95 HydrophobicContact CD1-CD1 3.81Å; L80-L95 HydrophobicContact CD2-CD1 4.25Å; L80-L95 HydrophobicContact CD2-CD2 4.42Å; L80-T105 WeakPolarHBondContact CD1-O 3.31Å; L80-I106 HydrophobicContact CD1-CG2 4.11Å; L80-L109 HydrophobicContact CB-CD2 3.96Å; L80-L109 HydrophobicContact CB-CG 4.49Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.2Å; L80-L109 HydrophobicContact CD1-CG 4.21Å
81E96.5Very high97.1Very high88 Ų8842.5 Ų42.541%0.41123%0.231SC..Hα-helixtrans-57.3-28.8172.860.4-86-161.400113.2G79 L83 A84 P108G79-E81 VanDerWaalsContact CA-OE2 3.24Å; G79-E81 WeakPolarHBondContact CA-OE2 3.35Å; G79-E81 PolarHBondContact O-N 2.76Å; E81-L83 PolarHBondContact O-N 2.74Å; E81-A84 PolarHBondContact O-N 2.84Å; E81-P108 HydrophobicContact CB-CB 3.92Å; E81-P108 HydrophobicContact CB-CG 4.35Å
82V97.1Very high97.1Very high23 Ų2345 Ų4514%0.13924%0.242CC..Hα-helixtrans-59.6-33.4175.4159.90000111.8L60 L80 A84 E85 K86L60-V82 HydrophobicContact CB-CG1 4.15Å; L80-V82 PolarHBondContact O-N 2.84Å; V82-A84 VanDerWaalsContact C-N 3.29Å; V82-A84 PolarHBondContact O-N 3.15Å; V82-E85 PolarHBondContact O-N 3.4Å; V82-E85 VanDerWaalsContact O-N 3.15Å; V82-K86 HydrophobicContact CG1-CB 4.41Å; V82-K86 HydrophobicContact CG1-CG 3.82Å; V82-K86 VanDerWaalsContact O-CB 3.3Å; V82-K86 WeakPolarHBondContact O-CB 3.35Å; V82-K86 WeakPolarHBondContact O-CG 3.34Å; V82-K86 PolarHBondContact O-N 3.2Å
83L97.7Very high97.1Very high0 Ų044.8 Ų44.80%024%0.24CC..Hα-helixtrans-62.9-39179.9-63.1174.7000111.3I57 L60 L69 L80 E81 E85 K86 C87 L93 L109 L112I57-L83 HydrophobicContact CD1-CD1 4.03Å; I57-L83 HydrophobicContact CD1-CD2 3.72Å; I57-L83 HydrophobicContact CD1-CG 3.64Å; L60-L83 HydrophobicContact CD2-CD2 3.85Å; L69-L83 HydrophobicContact CD2-CD2 3.62Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 WeakPolarHBondContact O-CB 3.22Å; L80-L83 PolarHBondContact O-N 2.95Å; L80-L83 VanDerWaalsContact O-N 3.07Å; E81-L83 PolarHBondContact O-N 2.74Å; L83-E85 VanDerWaalsContact C-N 3.28Å; L83-E85 PolarHBondContact O-N 3.29Å; L83-K86 PolarHBondContact O-N 3.06Å; L83-C87 CarbonylContact O-C 3.52Å; L83-C87 WeakPolarHBondContact O-CA 3.38Å; L83-C87 PolarHBondContact O-N 3.13Å; L83-L93 HydrophobicContact CD1-CD1 4.26Å; L83-L93 HydrophobicContact CD1-CD2 3.69Å; L83-L109 HydrophobicContact CD1-CD2 3.85Å; L83-L112 HydrophobicContact CB-CD1 4.09Å
84A94.8Very high97.1Very high24 Ų2441.4 Ų41.420%0.19822%0.222CC..Hα-helixtrans-66.3-31.3177.500000112.7E81 V82 K111 L112E81-A84 PolarHBondContact O-N 2.84Å; V82-A84 VanDerWaalsContact C-N 3.29Å; V82-A84 PolarHBondContact O-N 3.15Å; A84-K111 HydrophobicContact CB-CB 3.7Å; A84-K111 HydrophobicContact CB-CD 4.07Å; A84-L112 HydrophobicContact CB-CD2 4.37Å
85E95Very high97.1Very high132 Ų13241.1 Ų41.162%0.61722%0.22SC*.Hα-helixtrans-83.7-33.2180-64.1179.8-177.900112.9V82 L83V82-E85 PolarHBondContact O-N 3.4Å; V82-E85 VanDerWaalsContact O-N 3.15Å; L83-E85 VanDerWaalsContact C-N 3.28Å; L83-E85 PolarHBondContact O-N 3.29Å
86K96.9Very high97.1Very high67 Ų6733.7 Ų33.729%0.29120%0.195SC..Hα-helixtrans-105.4-28.1-169-63-60-171.5173.80114.2L60 P61 K62 L63 V82 L83L60-K86 HydrophobicContact CD2-CB 4.45Å; P61-K86 WeakPolarHBondContact O-CB 3.5Å; K62-K86 HydrophobicContact CB-CD 4.25Å; L63-K86 CarbonylContact C-O 3.53Å; L63-K86 PolarHBondContact N-O 3.2Å; V82-K86 HydrophobicContact CG1-CB 4.41Å; V82-K86 HydrophobicContact CG1-CG 3.82Å; V82-K86 VanDerWaalsContact O-CB 3.3Å; V82-K86 WeakPolarHBondContact O-CB 3.35Å; V82-K86 WeakPolarHBondContact O-CG 3.34Å; V82-K86 PolarHBondContact O-N 3.2Å; L83-K86 PolarHBondContact O-N 3.06Å
87C97.4Very high97.1Very high0 Ų034.5 Ų34.50%020%0.203CC..  trans-133.161.9-175.2-56.40000110.8L60 L66 L83 N89 L90 L112L60-C87 WeakPolarHBondContact CD2-SG 2.97Å; L66-C87 HydrophobicContact CD2-CB 4.33Å; L83-C87 CarbonylContact O-C 3.52Å; L83-C87 WeakPolarHBondContact O-CA 3.38Å; L83-C87 PolarHBondContact O-N 3.13Å; C87-N89 PolarHBondContact O-N 3.14Å; C87-N89 VanDerWaalsContact O-N 3.17Å; C87-L90 HydrophobicContact CB-CB 4.26Å; C87-L90 WeakPolarHBondContact O-CB 3.42Å; C87-L90 PolarHBondContact O-N 3.12Å; C87-L112 WeakPolarHBondContact O-CD2 3.46Å
88P96.3Very high97.2Very high51 Ų5131.1 Ų31.133%0.33118%0.179SC..THydrogen-bonded Turntrans-64.2-22.4-172.726.4-35.8000114.2
89N97.3Very high97.3Very high72 Ų7234.9 Ų34.939%0.38519%0.189SC..THydrogen-bonded Turntrans-96.415.1-179.5-64.2-40.7000113.8N64 L66 C87 T91 N114N64-N89 WeakPolarHBondContact O-CB 3.5Å; N64-N89 PolarHBondContact O-ND2 3.38Å; L66-N89 CarbonylContact O-C 3.58Å; C87-N89 PolarHBondContact O-N 3.14Å; C87-N89 VanDerWaalsContact O-N 3.17Å; N89-T91 PolarHBondContact O-N 2.99Å; N89-N114 PolarHBondContact OD1-ND2 3.15Å
90L98.2Very high97.4Very high0 Ų033.6 Ų33.60%018%0.176CC..  trans-66.3126.8-179.6-165.872000110.9L66 L69 C87 L93 L112 N114 L115L66-L90 HydrophobicContact CD2-CD1 4.14Å; L66-L90 HydrophobicContact CG-CD1 4.18Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3.07Å; L69-L90 HydrophobicContact CB-CD1 3.7Å; L69-L90 HydrophobicContact CB-CD2 4.31Å; C87-L90 HydrophobicContact CB-CB 4.26Å; C87-L90 WeakPolarHBondContact O-CB 3.42Å; C87-L90 PolarHBondContact O-N 3.12Å; L90-L93 HydrophobicContact CD2-CB 4.08Å; L90-L93 HydrophobicContact CD2-CD1 4.24Å; L90-L93 HydrophobicContact CD2-CD2 4.49Å; L90-L112 HydrophobicContact CD2-CD1 4.32Å; L90-N114 CarbonylContact O-C 3.58Å; L90-L115 WeakPolarHBondContact O-CA 3.24Å; L90-L115 PolarHBondContact O-N 3.09Å
91T98.2Very high97.4Very high30 Ų3039.1 Ų39.118%0.18420%0.2CC..  trans-110.6-30.8-178.562.10000112.9K67 N89 N114 K116 S117K67-T91 PolarHBondContact O-N 3.23Å; K67-T91 PolarHBondContact O-OG1 3.47Å; N89-T91 PolarHBondContact O-N 2.99Å; T91-N114 WeakPolarHBondContact CA-O 3.42Å; T91-N114 HydrophobicContact CG2-CB 4.38Å; T91-K116 PolarHBondContact O-N 3.36Å; T91-S117 PolarHBondContact O-N 2.97Å
92H98.3Very high97.3Very high55 Ų5538 Ų3826%0.25520%0.197SC..EExtended strand (participates in β ladder)trans-129125-177.7-66.277.5000110.1K67 K68 L69 S117K67-H92 PolarHBondContact O-N 3.01Å; K68-H92 WeakPolarHBondContact CA-O 3.48Å; K68-H92 HydrophobicContact CB-CB 4.02Å; K68-H92 HydrophobicContact CD-CB 4.12Å; K68-H92 HydrophobicContact CG-CB 3.8Å; L69-H92 PolarHBondContact N-O 3.07Å; H92-S117 WeakPolarHBondContact CA-O 3.41Å; H92-S117 VanDerWaalsContact CD2-CB 3.43Å; H92-S117 WeakPolarHBondContact CD2-CB 3.16Å
93L98.4Very high97.3Very high5 Ų538.9 Ų38.93%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-131.6122.4178.4177.159.6000110.6L69 L71 L83 L90 L95 L109 L115 S117 L118 D119L69-L93 HydrophobicContact CB-CD1 4.18Å; L69-L93 HydrophobicContact CD2-CD1 4.09Å; L69-L93 HydrophobicContact CG-CD1 4.15Å; L71-L93 HydrophobicContact CD1-CD1 4.18Å; L83-L93 HydrophobicContact CD1-CD1 4.26Å; L83-L93 HydrophobicContact CD1-CD2 3.69Å; L90-L93 HydrophobicContact CD2-CB 4.08Å; L90-L93 HydrophobicContact CD2-CD1 4.24Å; L90-L93 HydrophobicContact CD2-CD2 4.49Å; L93-L95 HydrophobicContact CD1-CD2 4.47Å; L93-L95 HydrophobicContact CD1-CG 4.17Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.25Å; L93-L95 HydrophobicContact CG-CD1 4.2Å; L93-L95 HydrophobicContact CG-CG 4.03Å; L93-L109 HydrophobicContact CD2-CD1 3.99Å; L93-L109 HydrophobicContact CD2-CD2 3.89Å; L93-L115 HydrophobicContact CB-CD1 3.87Å; L93-S117 PolarHBondContact N-O 3.07Å; L93-L118 HydrophobicContact CB-CD1 4.15Å; L93-L118 HydrophobicContact CD2-CD1 3.99Å; L93-L118 HydrophobicContact CG-CD1 4.02Å; L93-L118 WeakPolarHBondContact O-CA 3.28Å; L93-D119 PolarHBondContact O-N 2.97Å
94N98.3Very high97.3Very high22 Ų2242.5 Ų42.512%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-110116.2173-165.6-22.2000111.1L69 E70 L71 S96 D119L69-N94 PolarHBondContact O-N 3.06Å; E70-N94 WeakPolarHBondContact OE2-CB 3.24Å; E70-N94 VanDerWaalsContact OE2-CG 3.28Å; E70-N94 PolarHBondContact OE2-ND2 3.07Å; L71-N94 WeakPolarHBondContact CA-O 3.14Å; L71-N94 WeakPolarHBondContact CB-O 3.35Å; L71-N94 PolarHBondContact N-O 2.81Å; N94-S96 VanDerWaalsContact OD1-CB 3.22Å; N94-S96 WeakPolarHBondContact OD1-CB 3.25Å; N94-S96 PolarHBondContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.89Å; N94-D119 HydrophobicContact CB-CB 4.3Å; N94-D119 PolarHBondContact ND2-OD2 3.43Å
95L98.4Very high97.4Very high0 Ų042.4 Ų42.40%022%0.222CC..  trans-115.413.7176.8-72.9170.4000111.7L71 L80 L93 N98 L118 D119 L120 C123L71-L95 HydrophobicContact CB-CD2 4.06Å; L71-L95 HydrophobicContact CD1-CD2 3.87Å; L80-L95 HydrophobicContact CD1-CD1 3.81Å; L80-L95 HydrophobicContact CD2-CD1 4.25Å; L80-L95 HydrophobicContact CD2-CD2 4.42Å; L93-L95 HydrophobicContact CD1-CD2 4.47Å; L93-L95 HydrophobicContact CD1-CG 4.17Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.25Å; L93-L95 HydrophobicContact CG-CD1 4.2Å; L93-L95 HydrophobicContact CG-CG 4.03Å; L95-N98 VanDerWaalsContact O-CB 3.24Å; L95-N98 WeakPolarHBondContact O-CB 3.42Å; L95-N98 PolarHBondContact O-N 2.97Å; L95-N98 PolarHBondContact O-ND2 2.97Å; L95-L118 HydrophobicContact CD1-CD1 4.36Å; L95-D119 CarbonylContact C-O 3.36Å; L95-D119 WeakPolarHBondContact CA-O 3.15Å; L95-D119 PolarHBondContact N-O 3.29Å; L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.15Å; L95-C123 PolarHBondContact O-SG 2.89Å
96S98.1Very high97.5Very high16 Ų1636.1 Ų36.111%0.11219%0.193CC..THydrogen-bonded Turntrans-54.3143.3-17961.10000112.8S72 D73 N94 N98 D119 F121S72-S96 CarbonylContact C-O 3.39Å; S72-S96 WeakPolarHBondContact CA-O 3.48Å; S72-S96 WeakPolarHBondContact CB-OG 3.26Å; D73-S96 PolarHBondContact N-O 2.88Å; N94-S96 VanDerWaalsContact OD1-CB 3.22Å; N94-S96 WeakPolarHBondContact OD1-CB 3.25Å; N94-S96 PolarHBondContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.89Å; S96-N98 PolarHBondContact O-N 3.39Å; S96-N98 PolarHBondContact O-ND2 2.68Å; S96-D119 PolarHBondContact N-O 2.9Å; S96-F121 CarbonylContact C-O 3.53Å; S96-F121 WeakPolarHBondContact CA-O 3.3Å; S96-F121 WeakPolarHBondContact CB-O 3.43Å
97G97.8Very high97.5Very high16 Ų1636.8 Ų36.817%0.16520%0.197CC..THydrogen-bonded Turntrans70.97-17900000116F121G97-F121 PolarHBondContact N-O 2.94Å
98N98.5Very high97.5Very high3 Ų338 Ų382%0.01621%0.205CC..SBendtrans-84.8-175.5175.1-77.7-82.5000113L71 N74 R75 V76 L95 S96 I100L71-N98 PolarHBondContact O-ND2 2.77Å; N74-N98 WeakPolarHBondContact CA-OD1 3.49Å; N74-N98 WeakPolarHBondContact CB-OD1 3.31Å; R75-N98 PolarHBondContact N-OD1 2.95Å; V76-N98 HydrophobicContact CB-CB 4.43Å; V76-N98 WeakPolarHBondContact CB-OD1 3.37Å; V76-N98 PolarHBondContact N-OD1 2.78Å; V76-N98 WeakPolarHBondContact O-CB 3.34Å; L95-N98 VanDerWaalsContact O-CB 3.24Å; L95-N98 WeakPolarHBondContact O-CB 3.42Å; L95-N98 PolarHBondContact O-N 2.97Å; L95-N98 PolarHBondContact O-ND2 2.97Å; S96-N98 PolarHBondContact O-N 3.39Å; S96-N98 PolarHBondContact O-ND2 2.68Å; N98-I100 HydrophobicContact CB-CG1 4.25Å
99K97.4Very high97.5Very high101 Ų10135.7 Ų35.744%0.43919%0.19SC..  trans-101.242.7-177.1-64.1-55.4-176.3-1690112.7R75 V76 K101R75-K99 HydrophobicContact CB-CG 4.5Å; V76-K99 CarbonylContact O-C 3.19Å; V76-K99 WeakPolarHBondContact O-CA 3.29Å; V76-K99 PolarHBondContact O-N 3.13Å; K99-K101 PolarHBondContact O-N 3.29Å
100I97.9Very high97.5Very high0 Ų036.8 Ų36.80%019%0.191CC..  trans-80.7114.5176.2-48.5-55.7000109N98 T105 I106 L120 C123 E124 V125N98-I100 HydrophobicContact CB-CG1 4.25Å; I100-T105 HydrophobicContact CD1-CG2 3.84Å; I100-T105 HydrophobicContact CG2-CG2 4.1Å; I100-I106 HydrophobicContact CG2-CG2 3.78Å; I100-L120 HydrophobicContact CG1-CD2 4.33Å; I100-L120 HydrophobicContact CG2-CD2 4.43Å; I100-C123 HydrophobicContact CB-CB 4.04Å; I100-E124 PolarHBondContact O-N 2.78Å; I100-E124 VanDerWaalsContact O-N 3.1Å; I100-V125 HydrophobicContact CB-CG1 4.36Å; I100-V125 HydrophobicContact CG2-CB 4.25Å; I100-V125 HydrophobicContact CG2-CG1 4.01Å; I100-V125 PolarHBondContact O-N 3.35Å
101K95.9Very high97.4Very high116 Ų11643.1 Ų43.150%0.50422%0.219SC..  trans-103.3-34.2-170.8-60.6-165.9176.3-167.70114.6K99 E124K99-K101 PolarHBondContact O-N 3.29Å; K101-E124 HydrophobicContact CB-CB 4.48Å; K101-E124 WeakPolarHBondContact CD-OE2 3.24Å; K101-E124 WeakPolarHBondContact CE-OE1 3.48Å; K101-E124 WeakPolarHBondContact CE-OE2 3.46Å; K101-E124 HydrophobicContact CG-CB 4.24Å; K101-E124 IonicContact NZ-OE2 2.74Å
102D96Very high97.4Very high65 Ų6541.7 Ų41.735%0.34821%0.21SC..SBendtrans-139.6164.9-172.558.557.2000111.3S104 T105D102-S104 PolarHBondContact O-N 3.45Å; D102-S104 WeakPolarHBondContact OD1-CA 3.41Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.45Å; D102-S104 PolarHBondContact OD1-OG 3.43Å; D102-T105 WeakPolarHBondContact O-CB 3.23Å; D102-T105 PolarHBondContact O-N 2.83Å; D102-T105 PolarHBondContact O-OG1 3.01Å; D102-T105 PolarHBondContact OD1-N 2.93Å; D102-T105 PolarHBondContact OD1-OG1 3.22Å
103L96.9Very high97.3Very high42 Ų4246.9 Ų46.922%0.2223%0.234CC..Hα-helixtrans-68.2-23.4179-63.1174.3000112.8T105 I106 E107 V125 L128 N134 V135 L138L103-T105 PolarHBondContact O-N 2.86Å; L103-I106 HydrophobicContact CD2-CD1 4Å; L103-I106 WeakPolarHBondContact O-CG1 3.35Å; L103-I106 PolarHBondContact O-N 2.99Å; L103-E107 PolarHBondContact O-N 2.79Å; L103-E107 VanDerWaalsContact O-N 3.11Å; L103-V125 HydrophobicContact CD2-CG2 3.9Å; L103-V125 HydrophobicContact CG-CG2 4.42Å; L103-L128 HydrophobicContact CG-CD1 4.18Å; L103-N134 HydrophobicContact CD1-CB 3.6Å; L103-V135 HydrophobicContact CD2-CG2 3.69Å; L103-L138 HydrophobicContact CB-CD2 4.23Å; L103-L138 WeakPolarHBondContact O-CD2 3.33Å
104S96.7Very high97.3Very high76 Ų7650.1 Ų50.153%0.53125%0.252SS..Hα-helixtrans-67.7-28.8178.875.20000111.9D102 I106 E107D102-S104 PolarHBondContact O-N 3.45Å; D102-S104 WeakPolarHBondContact OD1-CA 3.41Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.45Å; D102-S104 PolarHBondContact OD1-OG 3.43Å; S104-I106 VanDerWaalsContact C-N 3.28Å; S104-I106 PolarHBondContact O-N 3.06Å; S104-E107 WeakPolarHBondContact O-CB 3.13Å; S104-E107 PolarHBondContact O-N 3.19Å
105T96.4Very high97.3Very high21 Ų2149.1 Ų49.113%0.12925%0.247CC..Hα-helixtrans-63-35.2176.2-52.50000111.9S77 L80 I100 D102 L103S77-T105 WeakPolarHBondContact O-CG2 3.29Å; L80-T105 WeakPolarHBondContact CD1-O 3.31Å; I100-T105 HydrophobicContact CD1-CG2 3.84Å; I100-T105 HydrophobicContact CG2-CG2 4.1Å; D102-T105 WeakPolarHBondContact O-CB 3.23Å; D102-T105 PolarHBondContact O-N 2.83Å; D102-T105 PolarHBondContact O-OG1 3.01Å; D102-T105 PolarHBondContact OD1-N 2.93Å; D102-T105 PolarHBondContact OD1-OG1 3.22Å; L103-T105 PolarHBondContact O-N 2.86Å
106I97.3Very high97.2Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-96.6-7.7-179.362.6167.7000113.4L80 I100 L103 S104 P108 L109 L120 V135 L138L80-I106 HydrophobicContact CD1-CG2 4.11Å; I100-I106 HydrophobicContact CG2-CG2 3.78Å; L103-I106 HydrophobicContact CD2-CD1 4Å; L103-I106 WeakPolarHBondContact O-CG1 3.35Å; L103-I106 PolarHBondContact O-N 2.99Å; S104-I106 VanDerWaalsContact C-N 3.28Å; S104-I106 PolarHBondContact O-N 3.06Å; I106-P108 VanDerWaalsContact C-N 3.29Å; I106-L109 HydrophobicContact CB-CD1 4.05Å; I106-L109 HydrophobicContact CB-CG 4.5Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 VanDerWaalsContact O-CB 3.23Å; I106-L109 WeakPolarHBondContact O-CB 3.26Å; I106-L109 WeakPolarHBondContact O-CG 3.47Å; I106-L109 PolarHBondContact O-N 3.41Å; I106-L120 HydrophobicContact CD1-CD1 4.13Å; I106-L120 HydrophobicContact CG2-CD1 4.38Å; I106-L120 HydrophobicContact CG2-CD2 4.25Å; I106-V135 HydrophobicContact CD1-CG1 4.37Å; I106-V135 HydrophobicContact CD1-CG2 3.91Å; I106-L138 HydrophobicContact CD1-CD2 4.22Å; I106-L138 HydrophobicContact CG1-CD2 3.95Å
107E97.4Very high97.2Very high82 Ų8254.9 Ų54.938%0.38327%0.273SS..G310 helixtrans-52.2-39177.2-179.6178176.900113.6L103 S104 L109 K110 L138L103-E107 PolarHBondContact O-N 2.79Å; L103-E107 VanDerWaalsContact O-N 3.11Å; S104-E107 WeakPolarHBondContact O-CB 3.13Å; S104-E107 PolarHBondContact O-N 3.19Å; E107-L109 PolarHBondContact O-N 2.88Å; E107-L109 VanDerWaalsContact O-N 3.14Å; E107-K110 HydrophobicContact CG-CD 4.04Å; E107-K110 WeakPolarHBondContact O-CB 3.36Å; E107-K110 WeakPolarHBondContact O-CD 3.43Å; E107-K110 WeakPolarHBondContact O-CG 3.3Å; E107-K110 PolarHBondContact O-N 2.87Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 IonicContact OE1-NZ 3.81Å; E107-K110 PolarHBondContact OE1-NZ 2.63Å; E107-L138 HydrophobicContact CB-CD1 4.4Å; E107-L138 HydrophobicContact CB-CD2 4.41Å; E107-L138 HydrophobicContact CG-CD1 4.16Å
108P97Very high97.3Very high26 Ų2654.1 Ų54.117%0.16927%0.265CS..G310 helixtrans-58.7-25.6177.2-26.436.1000114.5E81 I106 K110 K111E81-P108 HydrophobicContact CB-CB 3.92Å; E81-P108 HydrophobicContact CB-CG 4.35Å; I106-P108 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 3.22Å; P108-K110 VanDerWaalsContact O-N 3.13Å; P108-K111 PolarHBondContact O-N 3.01Å
109L97.8Very high97.2Very high1 Ų155.9 Ų55.91%0.00527%0.274CS..G310 helixtrans-63.6-17.3179-57.3-177.5000112.6L80 L83 L93 I106 E107 K111 L112 L115 L118 L139 Q141L80-L109 HydrophobicContact CB-CD2 3.96Å; L80-L109 HydrophobicContact CB-CG 4.49Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.2Å; L80-L109 HydrophobicContact CD1-CG 4.21Å; L83-L109 HydrophobicContact CD1-CD2 3.85Å; L93-L109 HydrophobicContact CD2-CD1 3.99Å; L93-L109 HydrophobicContact CD2-CD2 3.89Å; I106-L109 HydrophobicContact CB-CD1 4.05Å; I106-L109 HydrophobicContact CB-CG 4.5Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 VanDerWaalsContact O-CB 3.23Å; I106-L109 WeakPolarHBondContact O-CB 3.26Å; I106-L109 WeakPolarHBondContact O-CG 3.47Å; I106-L109 PolarHBondContact O-N 3.41Å; E107-L109 PolarHBondContact O-N 2.88Å; E107-L109 VanDerWaalsContact O-N 3.14Å; L109-K111 PolarHBondContact O-N 3.24Å; L109-L112 HydrophobicContact CD2-CD1 3.9Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.32Å; L109-L115 HydrophobicContact CB-CD2 4.25Å; L109-L118 HydrophobicContact CD1-CD1 4.14Å; L109-L118 HydrophobicContact CD1-CD2 4.04Å; L109-L139 HydrophobicContact CB-CD1 4.3Å; L109-L139 HydrophobicContact CB-CD2 4.12Å; L109-Q141 PolarHBondContact O-NE2 3.36Å
110K97.1Very high97.3Very high95 Ų9551.1 Ų51.141%0.41325%0.253SS..G310 helixtrans-57.4-23.1174.776.9-168.5174.1-176.80113.4E107 P108 L112 L139 Q141E107-K110 HydrophobicContact CG-CD 4.04Å; E107-K110 WeakPolarHBondContact O-CB 3.36Å; E107-K110 WeakPolarHBondContact O-CD 3.43Å; E107-K110 WeakPolarHBondContact O-CG 3.3Å; E107-K110 PolarHBondContact O-N 2.87Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 IonicContact OE1-NZ 3.81Å; E107-K110 PolarHBondContact OE1-NZ 2.63Å; P108-K110 PolarHBondContact O-N 3.22Å; P108-K110 VanDerWaalsContact O-N 3.13Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L139 HydrophobicContact CB-CD2 3.84Å; K110-L139 VanDerWaalsContact N-CD2 3.34Å; K110-Q141 PolarHBondContact O-NE2 3.05Å
111K96.5Very high97.2Very high133 Ų13357.9 Ų57.958%0.57828%0.283SS*.G310 helixtrans-78.3-14.5177.5-63.8-179.5179.8179.10113.6A84 P108 L109 E113A84-K111 HydrophobicContact CB-CB 3.7Å; A84-K111 HydrophobicContact CB-CD 4.07Å; P108-K111 PolarHBondContact O-N 3.01Å; L109-K111 PolarHBondContact O-N 3.24Å; K111-E113 PolarHBondContact O-N 3.35Å
112L97.7Very high97.2Very high1 Ų157.9 Ų57.91%0.00529%0.288CS..  trans-83.787.8174.6-64.6170.9000108.2L83 A84 C87 L90 L109 K110 N114 L115 Q141L83-L112 HydrophobicContact CB-CD1 4.09Å; A84-L112 HydrophobicContact CB-CD2 4.37Å; C87-L112 WeakPolarHBondContact O-CD2 3.46Å; L90-L112 HydrophobicContact CD2-CD1 4.32Å; L109-L112 HydrophobicContact CD2-CD1 3.9Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.32Å; K110-L112 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.11Å; L112-L115 HydrophobicContact CB-CB 3.8Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CB 3.39Å; L112-L115 PolarHBondContact O-N 2.72Å; L112-Q141 PolarHBondContact O-NE2 3.38Å
113E96.6Very high97.3Very high163 Ų16354.9 Ų54.976%0.76227%0.273SS*.THydrogen-bonded Turntrans-63.9-28.1-175.3-62.7-178.2175.800112.4K111K111-E113 PolarHBondContact O-N 3.35Å
114N97.1Very high97.3Very high74 Ų7456.9 Ų56.940%0.39628%0.281SS..THydrogen-bonded Turntrans-86.7-2.8179.5-67.2-46.2000114.3N89 L90 T91 L112 K116N89-N114 PolarHBondContact OD1-ND2 3.15Å; L90-N114 CarbonylContact O-C 3.58Å; T91-N114 WeakPolarHBondContact CA-O 3.42Å; T91-N114 HydrophobicContact CG2-CB 4.38Å; L112-N114 PolarHBondContact O-N 3.11Å; N114-K116 PolarHBondContact O-N 3.41Å
115L98.2Very high97.3Very high1 Ų153.2 Ų53.21%0.00526%0.255CS..  trans-71.9111.1-175.7-17270.7000111.1L90 L93 L109 L112 Q141 L142L90-L115 WeakPolarHBondContact O-CA 3.24Å; L90-L115 PolarHBondContact O-N 3.09Å; L93-L115 HydrophobicContact CB-CD1 3.87Å; L109-L115 HydrophobicContact CB-CD2 4.25Å; L112-L115 HydrophobicContact CB-CB 3.8Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CB 3.39Å; L112-L115 PolarHBondContact O-N 2.72Å; L115-Q141 WeakPolarHBondContact O-CG 3.37Å; L115-L142 HydrophobicContact CD2-CD1 4.49Å; L115-L142 HydrophobicContact CG-CD1 4.28Å
116K97.7Very high97.3Very high115 Ų11554.4 Ų54.450%0.526%0.262SS..  trans-102.8-33.2-177-67.2179.3-177.4-179.90113.2T91 N114 L142 T143 Y144T91-K116 PolarHBondContact O-N 3.36Å; N114-K116 PolarHBondContact O-N 3.41Å; K116-L142 WeakPolarHBondContact O-CD1 3.32Å; K116-T143 PolarHBondContact O-N 3.34Å; K116-Y144 PolarHBondContact O-N 3.08Å
117S98Very high97.3Very high22 Ų2260.7 Ų60.715%0.15430%0.296CS..EExtended strand (participates in β ladder)trans-131.3130.8-176.4-170.40000111.8T91 H92 L93 Y144T91-S117 PolarHBondContact O-N 2.97Å; H92-S117 WeakPolarHBondContact CA-O 3.41Å; H92-S117 VanDerWaalsContact CD2-CB 3.43Å; H92-S117 WeakPolarHBondContact CD2-CB 3.16Å; L93-S117 PolarHBondContact N-O 3.07Å; S117-Y144 WeakPolarHBondContact CA-O 3.36Å
118L98.4Very high97.2Very high0 Ų060.3 Ų60.30%030%0.296CS..EExtended strand (participates in β ladder)trans-133.2129.1179.2176.761.8000109.3L93 L95 L109 L120 L139 L142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.15Å; L93-L118 HydrophobicContact CD2-CD1 3.99Å; L93-L118 HydrophobicContact CG-CD1 4.02Å; L93-L118 WeakPolarHBondContact O-CA 3.28Å; L95-L118 HydrophobicContact CD1-CD1 4.36Å; L109-L118 HydrophobicContact CD1-CD1 4.14Å; L109-L118 HydrophobicContact CD1-CD2 4.04Å; L118-L120 HydrophobicContact CD1-CD2 4.38Å; L118-L120 HydrophobicContact CD1-CG 4.31Å; L118-L120 HydrophobicContact CD2-CD1 3.91Å; L118-L120 HydrophobicContact CD2-CG 4.21Å; L118-L120 HydrophobicContact CG-CD1 4.26Å; L118-L120 HydrophobicContact CG-CG 4.03Å; L118-L139 HydrophobicContact CD2-CD1 3.8Å; L118-L142 HydrophobicContact CB-CD1 3.63Å; L118-L142 HydrophobicContact CB-CD2 3.96Å; L118-L142 HydrophobicContact CB-CG 4.45Å; L118-Y144 PolarHBondContact N-O 3.48Å; L118-Y144 VanDerWaalsContact N-O 3.07Å; L118-L145 HydrophobicContact CB-CD1 4.36Å; L118-L145 HydrophobicContact CD2-CD1 4.42Å; L118-L145 HydrophobicContact CG-CD1 4.34Å; L118-L145 CarbonylContact O-C 3.38Å; L118-L145 WeakPolarHBondContact O-CA 3.42Å; L118-D146 PolarHBondContact O-N 3.47Å
119D98.3Very high97.2Very high40 Ų4065.8 Ų65.821%0.21432%0.324CS..EExtended strand (participates in β ladder)trans-115.7121.8174.2-173.9-7.1000109.9L93 N94 L95 S96 F121L93-D119 PolarHBondContact O-N 2.97Å; N94-D119 HydrophobicContact CB-CB 4.3Å; N94-D119 PolarHBondContact ND2-OD2 3.43Å; L95-D119 CarbonylContact C-O 3.36Å; L95-D119 WeakPolarHBondContact CA-O 3.15Å; L95-D119 PolarHBondContact N-O 3.29Å; S96-D119 PolarHBondContact N-O 2.9Å; D119-F121 WeakPolarHBondContact OD1-CB 3.21Å; D119-F121 PolarHBondContact OD1-N 3.48Å
120L98.1Very high97.1Very high0 Ų070.7 Ų70.70%035%0.351CS..  trans-122.816.3178-65.7169.5000110.8L95 I100 I106 L118 N122 C123 V125 T126 Y131 L145 D146L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.15Å; I100-L120 HydrophobicContact CG1-CD2 4.33Å; I100-L120 HydrophobicContact CG2-CD2 4.43Å; I106-L120 HydrophobicContact CD1-CD1 4.13Å; I106-L120 HydrophobicContact CG2-CD1 4.38Å; I106-L120 HydrophobicContact CG2-CD2 4.25Å; L118-L120 HydrophobicContact CD1-CD2 4.38Å; L118-L120 HydrophobicContact CD1-CG 4.31Å; L118-L120 HydrophobicContact CD2-CD1 3.91Å; L118-L120 HydrophobicContact CD2-CG 4.21Å; L118-L120 HydrophobicContact CG-CD1 4.26Å; L118-L120 HydrophobicContact CG-CG 4.03Å; L120-N122 PolarHBondContact O-N 2.88Å; L120-C123 WeakPolarHBondContact O-CB 3.07Å; L120-C123 PolarHBondContact O-N 3.28Å; L120-C123 PolarHBondContact O-SG 3.44Å; L120-V125 HydrophobicContact CB-CG1 4.37Å; L120-V125 HydrophobicContact CD1-CG1 4.25Å; L120-T126 HydrophobicContact CB-CG2 4.46Å; L120-T126 WeakPolarHBondContact O-CG2 3.37Å; L120-Y131 WeakPolarHBondContact CB-OH 3.16Å; L120-Y131 HydrophobicContact CD1-CE2 4.07Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.46Å; L120-L145 HydrophobicContact CD1-CD1 4.43Å; L120-D146 WeakPolarHBondContact CA-OD1 3.22Å; L120-D146 PolarHBondContact N-OD1 3.27Å
121F96.2Very high97.1Very high143 Ų14367 Ų6763%0.62733%0.334SS*.THydrogen-bonded Turntrans-51.5140.3-179.3-173.1-99.8000111S96 G97 D119 C123 D146S96-F121 CarbonylContact C-O 3.53Å; S96-F121 WeakPolarHBondContact CA-O 3.3Å; S96-F121 WeakPolarHBondContact CB-O 3.43Å; G97-F121 PolarHBondContact N-O 2.94Å; D119-F121 WeakPolarHBondContact OD1-CB 3.21Å; D119-F121 PolarHBondContact OD1-N 3.48Å; F121-C123 PolarHBondContact O-N 2.75Å; F121-C123 VanDerWaalsContact O-N 3.16Å; F121-D146 PolarHBondContact N-OD1 2.87Å
122N96.5Very high97.1Very high115 Ų11563.6 Ų63.662%0.61532%0.318SS*.THydrogen-bonded Turntrans59.223.5-178.4-164.636.9000115.1L120L120-N122 PolarHBondContact O-N 2.88Å
123C97.8Very high97.1Very high3 Ų370.4 Ų70.42%0.0235%0.349CS..SBendtrans-93.1155.5164.4-67.90000111.6L95 I100 L120 F121 V125 T126L95-C123 PolarHBondContact O-SG 2.89Å; I100-C123 HydrophobicContact CB-CB 4.04Å; L120-C123 WeakPolarHBondContact O-CB 3.07Å; L120-C123 PolarHBondContact O-N 3.28Å; L120-C123 PolarHBondContact O-SG 3.44Å; F121-C123 PolarHBondContact O-N 2.75Å; F121-C123 VanDerWaalsContact O-N 3.16Å; C123-V125 HydrophobicContact CB-CG1 3.86Å; C123-V125 PolarHBondContact O-N 2.79Å; C123-T126 PolarHBondContact O-N 3.23Å; C123-T126 PolarHBondContact O-OG1 3.29Å
124E96.5Very high97.1Very high83 Ų8365.6 Ų65.639%0.38833%0.329SS..G310 helixtrans-60.4-33.6178.9-74.2174.5-129.900112.3I100 K101 T126 N127I100-E124 PolarHBondContact O-N 2.78Å; I100-E124 VanDerWaalsContact O-N 3.1Å; K101-E124 HydrophobicContact CB-CB 4.48Å; K101-E124 WeakPolarHBondContact CD-OE2 3.24Å; K101-E124 WeakPolarHBondContact CE-OE1 3.48Å; K101-E124 WeakPolarHBondContact CE-OE2 3.46Å; K101-E124 HydrophobicContact CG-CB 4.24Å; K101-E124 IonicContact NZ-OE2 2.74Å; E124-T126 PolarHBondContact O-N 2.92Å; E124-N127 WeakPolarHBondContact O-CB 3.15Å; E124-N127 PolarHBondContact O-N 2.85Å; E124-N127 VanDerWaalsContact O-N 3.11Å; E124-N127 PolarHBondContact O-ND2 2.75Å; E124-N127 VanDerWaalsContact O-ND2 3.11Å
125V97.1Very high97.2Very high0 Ų062 Ų620%031%0.31CS..G310 helixtrans-57.4-27.3178710000113.8I100 L103 L120 C123 N127 L128 Y131I100-V125 HydrophobicContact CB-CG1 4.36Å; I100-V125 HydrophobicContact CG2-CB 4.25Å; I100-V125 HydrophobicContact CG2-CG1 4.01Å; I100-V125 PolarHBondContact O-N 3.35Å; L103-V125 HydrophobicContact CD2-CG2 3.9Å; L103-V125 HydrophobicContact CG-CG2 4.42Å; L120-V125 HydrophobicContact CB-CG1 4.37Å; L120-V125 HydrophobicContact CD1-CG1 4.25Å; C123-V125 HydrophobicContact CB-CG1 3.86Å; C123-V125 PolarHBondContact O-N 2.79Å; V125-N127 PolarHBondContact O-N 2.9Å; V125-L128 HydrophobicContact CG2-CD1 3.77Å; V125-L128 WeakPolarHBondContact O-CB 3.19Å; V125-L128 VanDerWaalsContact O-CG 3.28Å; V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.31Å; V125-Y131 HydrophobicContact CG1-CE2 4.08Å; V125-Y131 HydrophobicContact CG2-CD2 4.21Å; V125-Y131 HydrophobicContact CG2-CE2 4.32Å; V125-Y131 WeakPolarHBondContact O-CD2 3.43Å
126T96.4Very high97.1Very high45 Ų4562.9 Ų62.928%0.27631%0.314SS..G310 helixtrans-68.8-16.4179.863.80000113L120 C123 E124 L128 Y131L120-T126 HydrophobicContact CB-CG2 4.46Å; L120-T126 WeakPolarHBondContact O-CG2 3.37Å; C123-T126 PolarHBondContact O-N 3.23Å; C123-T126 PolarHBondContact O-OG1 3.29Å; E124-T126 PolarHBondContact O-N 2.92Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-Y131 HydrophobicContact CG2-CE1 4.22Å; T126-Y131 HydrophobicContact CG2-CE2 4.43Å
127N96.7Very high97.1Very high133 Ų13365.7 Ų65.771%0.71133%0.326SS*.G310 helixtrans-86-2.5176.9-57.8-70.5000113.5E124 V125E124-N127 WeakPolarHBondContact O-CB 3.15Å; E124-N127 PolarHBondContact O-N 2.85Å; E124-N127 VanDerWaalsContact O-N 3.11Å; E124-N127 PolarHBondContact O-ND2 2.75Å; E124-N127 VanDerWaalsContact O-ND2 3.11Å; V125-N127 PolarHBondContact O-N 2.9Å
128L96.3Very high97.1Very high74 Ų7466.9 Ų66.939%0.38733%0.33SS..SBendtrans-71.5145.8176.6-61.5178.5000110.5L103 V125 T126 Y131L103-L128 HydrophobicContact CG-CD1 4.18Å; V125-L128 HydrophobicContact CG2-CD1 3.77Å; V125-L128 WeakPolarHBondContact O-CB 3.19Å; V125-L128 VanDerWaalsContact O-CG 3.28Å; V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.31Å; T126-L128 VanDerWaalsContact C-N 3.33Å; L128-Y131 WeakPolarHBondContact O-CB 3.43Å; L128-Y131 PolarHBondContact O-N 2.89Å
129N96.3Very high97.1Very high140 Ų14066.9 Ų66.975%0.74933%0.33SS*.THydrogen-bonded Turntrans-62.3141.6171.8-63.9-26.7000110.2Y131 N134N129-Y131 PolarHBondContact O-N 2.93Å; N129-Y131 VanDerWaalsContact O-N 3.08Å; N129-N134 PolarHBondContact O-ND2 3Å
130D95.9Very high97Very high105 Ų10569.4 Ų69.456%0.56135%0.349SS*.THydrogen-bonded Turntrans53.829.8178.4-45.4-51.9000112.7R132 E133 N134D130-R132 PolarHBondContact O-N 3.35Å; D130-E133 PolarHBondContact O-N 3.27Å; D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 VanDerWaalsContact O-CG 3.32Å; D130-N134 PolarHBondContact O-N 2.76Å; D130-N134 PolarHBondContact O-ND2 2.81Å; D130-N134 VanDerWaalsContact O-ND2 3.08Å
131Y96.8Very high97Very high17 Ų1771.6 Ų71.67%0.06736%0.359CS..Hα-helixtrans-50-55.1-175.3152.5-104.6000112.1L120 V125 T126 L128 N129 E133 N134 V135 L145 D146L120-Y131 WeakPolarHBondContact CB-OH 3.16Å; L120-Y131 HydrophobicContact CD1-CE2 4.07Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.46Å; V125-Y131 HydrophobicContact CG1-CE2 4.08Å; V125-Y131 HydrophobicContact CG2-CD2 4.21Å; V125-Y131 HydrophobicContact CG2-CE2 4.32Å; V125-Y131 WeakPolarHBondContact O-CD2 3.43Å; T126-Y131 HydrophobicContact CG2-CE1 4.22Å; T126-Y131 HydrophobicContact CG2-CE2 4.43Å; L128-Y131 WeakPolarHBondContact O-CB 3.43Å; L128-Y131 PolarHBondContact O-N 2.89Å; N129-Y131 PolarHBondContact O-N 2.93Å; N129-Y131 VanDerWaalsContact O-N 3.08Å; Y131-E133 PolarHBondContact O-N 2.82Å; Y131-N134 PolarHBondContact O-N 2.96Å; Y131-V135 HydrophobicContact CD2-CG2 3.72Å; Y131-V135 HydrophobicContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact O-CG2 3.3Å; Y131-V135 WeakPolarHBondContact O-CG2 3.38Å; Y131-V135 PolarHBondContact O-N 3.32Å; Y131-L145 HydrophobicContact CE1-CD2 4.1Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.33Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.22Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.47Å; Y131-D146 PolarHBondContact OH-OD2 3.05Å
132R97Very high97.1Very high62 Ų6264.9 Ų64.923%0.23433%0.329CS..Hα-helixtrans-59.8-48.2-177.8-67-179.164.972.90.9111.8D130 N134 V135 F136 L145 Y148 D149 D152D130-R132 PolarHBondContact O-N 3.35Å; R132-N134 VanDerWaalsContact C-N 3.33Å; R132-N134 PolarHBondContact O-N 3.31Å; R132-V135 PolarHBondContact O-N 2.89Å; R132-F136 WeakPolarHBondContact O-CD2 3.42Å; R132-F136 PolarHBondContact O-N 3.2Å; R132-L145 HydrophobicContact CB-CD2 4.18Å; R132-L145 HydrophobicContact CG-CD2 4.08Å; R132-L145 PolarHBondContact NH1-O 3.43Å; R132-Y148 PolarHBondContact NH2-O 2.88Å; R132-D149 PolarHBondContact NH2-O 3Å; R132-D152 IonicContact NE-OD1 3.83Å
133E96.8Very high97.1Very high143 Ų14362 Ų6267%0.66832%0.316SS*.Hα-helixtrans-61.1-43.3179.4-63.5-172.5178.100111.7D130 Y131 F136 K137D130-E133 PolarHBondContact O-N 3.27Å; Y131-E133 PolarHBondContact O-N 2.82Å; E133-F136 PolarHBondContact O-N 3.23Å; E133-K137 VanDerWaalsContact O-CB 3.31Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 2.85Å
134N97.8Very high97.1Very high62 Ų6264.7 Ų64.733%0.33233%0.327SS..Hα-helixtrans-67.2-37.9178.3-73.2-41.5000112.2L103 N129 D130 Y131 R132 K137 L138L103-N134 HydrophobicContact CD1-CB 3.6Å; N129-N134 PolarHBondContact O-ND2 3Å; D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 VanDerWaalsContact O-CG 3.32Å; D130-N134 PolarHBondContact O-N 2.76Å; D130-N134 PolarHBondContact O-ND2 2.81Å; D130-N134 VanDerWaalsContact O-ND2 3.08Å; Y131-N134 PolarHBondContact O-N 2.96Å; R132-N134 VanDerWaalsContact C-N 3.33Å; R132-N134 PolarHBondContact O-N 3.31Å; N134-K137 PolarHBondContact O-N 2.7Å; N134-L138 VanDerWaalsContact O-CB 3.29Å; N134-L138 WeakPolarHBondContact O-CB 3.42Å; N134-L138 PolarHBondContact O-N 3.08Å
135V97.9Very high97.2Very high0 Ų060.8 Ų60.80%031%0.308CS..Hα-helixtrans-65.3-49.1174.5173.50000110.9L103 I106 Y131 R132 K137 L138 L139 L142 L145L103-V135 HydrophobicContact CD2-CG2 3.69Å; I106-V135 HydrophobicContact CD1-CG1 4.37Å; I106-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CD2-CG2 3.72Å; Y131-V135 HydrophobicContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact O-CG2 3.3Å; Y131-V135 WeakPolarHBondContact O-CG2 3.38Å; Y131-V135 PolarHBondContact O-N 3.32Å; R132-V135 PolarHBondContact O-N 2.89Å; V135-K137 PolarHBondContact O-N 3.01Å; V135-L138 PolarHBondContact O-N 2.9Å; V135-L139 HydrophobicContact CG1-CD1 4.23Å; V135-L139 PolarHBondContact O-N 3.39Å; V135-L142 HydrophobicContact CG1-CD2 4.19Å; V135-L145 HydrophobicContact CB-CD2 3.73Å; V135-L145 HydrophobicContact CG1-CD1 3.9Å; V135-L145 HydrophobicContact CG1-CD2 3.71Å; V135-L145 HydrophobicContact CG1-CG 4.42Å; V135-L145 HydrophobicContact CG2-CD2 4.25Å
136F97.8Very high97.2Very high19 Ų1962.2 Ų62.28%0.08332%0.316CS..Hα-helixtrans-63.8-29.1178.3-78.4-58.6000113.3R132 E133 L139 L142 L145 R150R132-F136 WeakPolarHBondContact O-CD2 3.42Å; R132-F136 PolarHBondContact O-N 3.2Å; E133-F136 PolarHBondContact O-N 3.23Å; F136-L139 CarbonylContact O-C 3.52Å; F136-L142 HydrophobicContact CD1-CB 4.41Å; F136-L142 HydrophobicContact CD1-CD2 4.42Å; F136-L142 HydrophobicContact CE1-CB 4.46Å; F136-L142 HydrophobicContact CE1-CD2 4.19Å; F136-L142 HydrophobicContact CE1-CG 4.39Å; F136-L145 HydrophobicContact CE1-CB 4.18Å; F136-L145 HydrophobicContact CE2-CB 4.1Å; F136-L145 HydrophobicContact CE2-CD2 4.3Å; F136-L145 HydrophobicContact CZ-CB 3.65Å; F136-R150 HydrophobicContact CD1-CG 3.96Å; F136-R150 VanDerWaalsContact CD1-CZ 3.46Å; F136-R150 HydrophobicContact CD2-CG 3.86Å; F136-R150 HydrophobicContact CE1-CG 3.94Å; F136-R150 HydrophobicContact CE2-CG 3.84Å; F136-R150 HydrophobicContact CG-CG 3.92Å; F136-R150 HydrophobicContact CZ-CG 3.88Å
137K97.5Very high97.1Very high173 Ų17361.4 Ų61.475%0.75232%0.317SS*.Hα-helixtrans-72.9-36.3172.6-176.5178-179.9-179.90112.3E133 N134 V135E133-K137 VanDerWaalsContact O-CB 3.31Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 2.85Å; N134-K137 PolarHBondContact O-N 2.7Å; V135-K137 PolarHBondContact O-N 3.01Å
138L97.7Very high97.2Very high47 Ų4760 Ų6025%0.24630%0.302CS..Hα-helixtrans-74.4-38.4178.6-177.163.4000112L103 I106 E107 N134 V135 P140L103-L138 HydrophobicContact CB-CD2 4.23Å; L103-L138 WeakPolarHBondContact O-CD2 3.33Å; I106-L138 HydrophobicContact CD1-CD2 4.22Å; I106-L138 HydrophobicContact CG1-CD2 3.95Å; E107-L138 HydrophobicContact CB-CD1 4.4Å; E107-L138 HydrophobicContact CB-CD2 4.41Å; E107-L138 HydrophobicContact CG-CD1 4.16Å; N134-L138 VanDerWaalsContact O-CB 3.29Å; N134-L138 WeakPolarHBondContact O-CB 3.42Å; N134-L138 PolarHBondContact O-N 3.08Å; V135-L138 PolarHBondContact O-N 2.9Å; L138-P140 WeakPolarHBondContact O-CD 3.5Å
139L97.8Very high97.2Very high1 Ų157.8 Ų57.81%0.00529%0.29CS..  trans-120.174.6-175.9-54.6-179.4000109.6L109 K110 L118 V135 F136 Q141 L142L109-L139 HydrophobicContact CB-CD1 4.3Å; L109-L139 HydrophobicContact CB-CD2 4.12Å; K110-L139 HydrophobicContact CB-CD2 3.84Å; K110-L139 VanDerWaalsContact N-CD2 3.34Å; L118-L139 HydrophobicContact CD2-CD1 3.8Å; V135-L139 HydrophobicContact CG1-CD1 4.23Å; V135-L139 PolarHBondContact O-N 3.39Å; F136-L139 CarbonylContact O-C 3.52Å; L139-Q141 PolarHBondContact O-N 2.9Å; L139-L142 HydrophobicContact CB-CB 4.2Å; L139-L142 VanDerWaalsContact O-CB 3.29Å; L139-L142 WeakPolarHBondContact O-CB 3.45Å; L139-L142 PolarHBondContact O-N 2.79Å; L139-L142 VanDerWaalsContact O-N 3.13Å
140P96.8Very high97.1Very high92 Ų9257.1 Ų57.160%0.59728%0.278SS*.THydrogen-bonded Turntrans-63.6-26.3-175.325.8-35.3000113.7L138 L142 R150L138-P140 WeakPolarHBondContact O-CD 3.5Å; P140-L142 PolarHBondContact O-N 3.26Å; P140-R150 PolarHBondContact O-NH2 3.37Å
141Q97.2Very high97.1Very high47 Ų4757.4 Ų57.422%0.2228%0.279CS..THydrogen-bonded Turntrans-67.6-18.3176.667.1-94.151.800113.8L109 K110 L112 L115 L139L109-Q141 PolarHBondContact O-NE2 3.36Å; K110-Q141 PolarHBondContact O-NE2 3.05Å; L112-Q141 PolarHBondContact O-NE2 3.38Å; L115-Q141 WeakPolarHBondContact O-CG 3.37Å; L139-Q141 PolarHBondContact O-N 2.9Å
142L97.7Very high97Very high1 Ų162 Ų621%0.00531%0.305CS..  trans-72.7132.6-174.5-164.773.6000110.7L115 K116 L118 V135 F136 L139 P140 Y144 L145 R150L115-L142 HydrophobicContact CD2-CD1 4.49Å; L115-L142 HydrophobicContact CG-CD1 4.28Å; K116-L142 WeakPolarHBondContact O-CD1 3.32Å; L118-L142 HydrophobicContact CB-CD1 3.63Å; L118-L142 HydrophobicContact CB-CD2 3.96Å; L118-L142 HydrophobicContact CB-CG 4.45Å; V135-L142 HydrophobicContact CG1-CD2 4.19Å; F136-L142 HydrophobicContact CD1-CB 4.41Å; F136-L142 HydrophobicContact CD1-CD2 4.42Å; F136-L142 HydrophobicContact CE1-CB 4.46Å; F136-L142 HydrophobicContact CE1-CD2 4.19Å; F136-L142 HydrophobicContact CE1-CG 4.39Å; L139-L142 HydrophobicContact CB-CB 4.2Å; L139-L142 VanDerWaalsContact O-CB 3.29Å; L139-L142 WeakPolarHBondContact O-CB 3.45Å; L139-L142 PolarHBondContact O-N 2.79Å; L139-L142 VanDerWaalsContact O-N 3.13Å; P140-L142 PolarHBondContact O-N 3.26Å; L142-Y144 WeakPolarHBondContact CD2-O 3.44Å; L142-Y144 WeakPolarHBondContact CG-O 3.32Å; L142-L145 HydrophobicContact CD2-CB 3.98Å; L142-L145 HydrophobicContact CD2-CD1 4.06Å; L142-R150 PolarHBondContact O-NH1 3.36Å; L142-R150 PolarHBondContact O-NH2 3.18Å
143T97.4Very high97Very high56 Ų5664.7 Ų64.734%0.34432%0.318SS..  trans-96.3-47174.5-57.20000110.7K116 D149K116-T143 PolarHBondContact O-N 3.34Å; T143-D149 WeakPolarHBondContact O-CA 3.22Å
144Y98.1Very high96.9Very high59 Ų5964.7 Ų64.723%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-119133.7-175-58-70.6000111.3K116 S117 L118 L142 D149 A155 P156K116-Y144 PolarHBondContact O-N 3.08Å; S117-Y144 WeakPolarHBondContact CA-O 3.36Å; L118-Y144 PolarHBondContact N-O 3.48Å; L118-Y144 VanDerWaalsContact N-O 3.07Å; L142-Y144 WeakPolarHBondContact CD2-O 3.44Å; L142-Y144 WeakPolarHBondContact CG-O 3.32Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.92Å; Y144-A155 HydrophobicContact CD1-CB 3.58Å; Y144-A155 HydrophobicContact CD2-CB 4.16Å; Y144-A155 HydrophobicContact CE1-CB 3.77Å; Y144-A155 HydrophobicContact CE2-CB 4.32Å; Y144-A155 HydrophobicContact CG-CB 3.79Å; Y144-P156 WeakPolarHBondContact OH-CD 3.47Å
145L98.1Very high96.6Very high0 Ų062.9 Ų62.90%031%0.312CS..EExtended strand (participates in β ladder)trans-126.9124.1174.6-179.662.6000108.9L118 L120 Y131 R132 V135 F136 L142 G147 Y148L118-L145 HydrophobicContact CB-CD1 4.36Å; L118-L145 HydrophobicContact CD2-CD1 4.42Å; L118-L145 HydrophobicContact CG-CD1 4.34Å; L118-L145 CarbonylContact O-C 3.38Å; L118-L145 WeakPolarHBondContact O-CA 3.42Å; L120-L145 HydrophobicContact CD1-CD1 4.43Å; Y131-L145 HydrophobicContact CE1-CD2 4.1Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.33Å; R132-L145 HydrophobicContact CB-CD2 4.18Å; R132-L145 HydrophobicContact CG-CD2 4.08Å; R132-L145 PolarHBondContact NH1-O 3.43Å; V135-L145 HydrophobicContact CB-CD2 3.73Å; V135-L145 HydrophobicContact CG1-CD1 3.9Å; V135-L145 HydrophobicContact CG1-CD2 3.71Å; V135-L145 HydrophobicContact CG1-CG 4.42Å; V135-L145 HydrophobicContact CG2-CD2 4.25Å; F136-L145 HydrophobicContact CE1-CB 4.18Å; F136-L145 HydrophobicContact CE2-CB 4.1Å; F136-L145 HydrophobicContact CE2-CD2 4.3Å; F136-L145 HydrophobicContact CZ-CB 3.65Å; L142-L145 HydrophobicContact CD2-CB 3.98Å; L142-L145 HydrophobicContact CD2-CD1 4.06Å; L145-G147 PolarHBondContact O-N 2.85Å; L145-Y148 PolarHBondContact N-O 2.78Å; L145-Y148 PolarHBondContact O-N 3.35Å; L145-Y148 VanDerWaalsContact O-O 3.05Å
146D97Very high96.1Very high31 Ų3166.3 Ų66.317%0.16633%0.334CS..THydrogen-bonded Turntrans53.634-178.9-52.1-49.3000112.8L118 L120 F121 Y131 Y148L118-D146 PolarHBondContact O-N 3.47Å; L120-D146 WeakPolarHBondContact CA-OD1 3.22Å; L120-D146 PolarHBondContact N-OD1 3.27Å; F121-D146 PolarHBondContact N-OD1 2.87Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.22Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.47Å; Y131-D146 PolarHBondContact OH-OD2 3.05Å; D146-Y148 VanDerWaalsContact O-CD2 3.25Å; D146-Y148 WeakPolarHBondContact O-CD2 3.28Å
147G95.4Very high94.9Very high28 Ų2871.8 Ų71.829%0.28936%0.364SS..THydrogen-bonded Turntrans86.71.8-179.500000116L145 E154 A155L145-G147 PolarHBondContact O-N 2.85Å; G147-E154 WeakPolarHBondContact O-CA 3.14Å; G147-A155 PolarHBondContact O-N 3.24Å
148Y97Very high93Very high103 Ų10366.3 Ų66.340%0.40435%0.348SS..BIsolated β-bridgetrans-131.2145.3-177.7-60.3-95.8000112.4R132 L145 D146 K153 E154R132-Y148 PolarHBondContact NH2-O 2.88Å; L145-Y148 PolarHBondContact N-O 2.78Å; L145-Y148 PolarHBondContact O-N 3.35Å; L145-Y148 VanDerWaalsContact O-O 3.05Å; D146-Y148 VanDerWaalsContact O-CD2 3.25Å; D146-Y148 WeakPolarHBondContact O-CD2 3.28Å; Y148-K153 CarbonylContact C-O 3.36Å; Y148-K153 VanDerWaalsContact CA-O 3.3Å; Y148-K153 WeakPolarHBondContact CA-O 3.38Å; Y148-E154 HydrophobicContact CD1-CB 4.4Å; Y148-E154 HydrophobicContact CE1-CB 4.21Å
149D96.8Very high91Very high27 Ų2771 Ų7114%0.14437%0.373CS..  trans-77.5-168.817477.11.8000113R132 T143 Y144 D151 D152 K153R132-D149 PolarHBondContact NH2-O 3Å; T143-D149 WeakPolarHBondContact O-CA 3.22Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.92Å; D149-D151 VanDerWaalsContact C-N 3.26Å; D149-D151 PolarHBondContact O-N 3.2Å; D149-D151 WeakPolarHBondContact OD1-CA 3.19Å; D149-D151 WeakPolarHBondContact OD1-CB 3.46Å; D149-D151 PolarHBondContact OD1-N 2.93Å; D149-D152 PolarHBondContact O-N 3.23Å; D149-D152 PolarHBondContact OD1-N 3.08Å; D149-D152 VanDerWaalsContact OD1-N 3.13Å; D149-K153 PolarHBondContact N-O 3.37Å; D149-K153 WeakPolarHBondContact OD1-CB 3.22Å; D149-K153 PolarHBondContact OD1-N 3.41Å
150R95.4Very high88.4Confident127 Ų12774.9 Ų74.948%0.47941%0.405SS..THydrogen-bonded Turntrans-69.3-21177.8-68.7176.9178.875.8-1.2113.7F136 P140 L142F136-R150 HydrophobicContact CD1-CG 3.96Å; F136-R150 VanDerWaalsContact CD1-CZ 3.46Å; F136-R150 HydrophobicContact CD2-CG 3.86Å; F136-R150 HydrophobicContact CE1-CG 3.94Å; F136-R150 HydrophobicContact CE2-CG 3.84Å; F136-R150 HydrophobicContact CG-CG 3.92Å; F136-R150 HydrophobicContact CZ-CG 3.88Å; P140-R150 PolarHBondContact O-NH2 3.37Å; L142-R150 PolarHBondContact O-NH1 3.36Å; L142-R150 PolarHBondContact O-NH2 3.18Å
151D95.4Very high86Confident111 Ų11177.3 Ų77.359%0.59441%0.409SS*.THydrogen-bonded Turntrans-100.413.4-179.5-63.2-28.1000112.2D149 K153D149-D151 VanDerWaalsContact C-N 3.26Å; D149-D151 PolarHBondContact O-N 3.2Å; D149-D151 WeakPolarHBondContact OD1-CA 3.19Å; D149-D151 WeakPolarHBondContact OD1-CB 3.46Å; D149-D151 PolarHBondContact OD1-N 2.93Å; D151-K153 HydrophobicContact CB-CD 4.44Å; D151-K153 HydrophobicContact CB-CG 4.17Å; D151-K153 PolarHBondContact O-N 3.17Å; D151-K153 IonicContact OD2-NZ 2.78Å; D151-K153 PolarHBondContact OD2-NZ 3.42Å
152D94.8Very high83.4Confident114 Ų11477.8 Ų77.861%0.6143%0.426SS*.SBendtrans57.530.1-172.7-66.1-38.8000114R132 D149R132-D152 IonicContact NE-OD1 3.83Å; D149-D152 PolarHBondContact O-N 3.23Å; D149-D152 PolarHBondContact OD1-N 3.08Å; D149-D152 VanDerWaalsContact OD1-N 3.13Å
153K95.8Very high81.1Confident118 Ų11882.5 Ų82.551%0.51344%0.444SS..PPolyproline II helixtrans-85.7131169.8-56.8178.9-171.9122.40109.7Y148 D149 D151Y148-K153 CarbonylContact C-O 3.36Å; Y148-K153 VanDerWaalsContact CA-O 3.3Å; Y148-K153 WeakPolarHBondContact CA-O 3.38Å; D149-K153 PolarHBondContact N-O 3.37Å; D149-K153 WeakPolarHBondContact OD1-CB 3.22Å; D149-K153 PolarHBondContact OD1-N 3.41Å; D151-K153 HydrophobicContact CB-CD 4.44Å; D151-K153 HydrophobicContact CB-CG 4.17Å; D151-K153 PolarHBondContact O-N 3.17Å; D151-K153 IonicContact OD2-NZ 2.78Å; D151-K153 PolarHBondContact OD2-NZ 3.42Å
154E94.8Very high78.5Confident143 Ų14385.6 Ų85.667%0.66846%0.463SS*.BIsolated β-bridgetrans-61.5135.1175.8-169.5170.1-160.500110.2G147 Y148G147-E154 WeakPolarHBondContact O-CA 3.14Å; Y148-E154 HydrophobicContact CD1-CB 4.4Å; Y148-E154 HydrophobicContact CE1-CB 4.21Å
155A91.5Very high76.1Confident24 Ų2490.5 Ų90.520%0.19849%0.488CS..PPolyproline II helixtrans-60.4144.417300000109.7Y144 G147Y144-A155 HydrophobicContact CD1-CB 3.58Å; Y144-A155 HydrophobicContact CD2-CB 4.16Å; Y144-A155 HydrophobicContact CE1-CB 3.77Å; Y144-A155 HydrophobicContact CE2-CB 4.32Å; Y144-A155 HydrophobicContact CG-CB 3.79Å; G147-A155 PolarHBondContact O-N 3.24Å
156P88.7Confident73.3Confident71 Ų7192.6 Ų92.646%0.46151%0.51SS..PPolyproline II helixtrans-59.9147.8169.728.3-33.7000109.4Y144 S158Y144-P156 WeakPolarHBondContact OH-CD 3.47Å; P156-S158 PolarHBondContact O-N 3.21Å
157D71.5Confident70.6Confident134 Ų13499.6 Ų99.672%0.71755%0.546SS*.  trans-50.9113.3175.4-71.6-38.8000109.2D159 A160D157-D159 PolarHBondContact O-N 3.44Å; D157-A160 WeakPolarHBondContact O-CB 3.37Å; D157-A160 PolarHBondContact O-N 3.16Å
158S58.8Low68.4Low59 Ų59105 Ų10541%0.41357%0.569SS.*THydrogen-bonded Turntrans-61.8-13.7-170.363.50000114.1K68 P156 A160K68-S158 PolarHBondContact NZ-OG 3.2Å; P156-S158 PolarHBondContact O-N 3.21Å; S158-A160 VanDerWaalsContact C-N 3.32Å
159D54.3Low65.8Low146 Ų146107.6 Ų107.678%0.78159%0.59SS**THydrogen-bonded Turntrans-86.1-7179.3-59.1-11.9000112.1D157D157-D159 PolarHBondContact O-N 3.44Å
160A44.2Very low63.5Low82 Ų82114.8 Ų114.868%0.67862%0.623SS**SBendtrans-86.9-20.1179.100000113.4D157 S158 G162D157-A160 WeakPolarHBondContact O-CB 3.37Å; D157-A160 PolarHBondContact O-N 3.16Å; S158-A160 VanDerWaalsContact C-N 3.32Å; A160-G162 PolarHBondContact O-N 3.05Å
161E46.7Very low61.4Low143 Ų143116.4 Ų116.467%0.66864%0.635SS**SBendtrans-88.880.1171.2-65.2-160.5-177.400109Y163E161-Y163 PolarHBondContact O-N 3.45Å
162G41.4Very low59.2Low57 Ų57119.4 Ų119.459%0.58865%0.646SS**  trans-48.7124.8159.300000107.9A160 V164A160-G162 PolarHBondContact O-N 3.05Å; G162-V164 PolarHBondContact O-N 2.87Å
163Y49.3Very low57.2Low99 Ų99120.3 Ų120.339%0.38865%0.651SS.*  trans-24.2109.8176.2-58.8-86.2000110.5E45 K67 E161 E165E45-Y163 HydrophobicContact CB-CE1 3.94Å; E45-Y163 HydrophobicContact CG-CE1 4.4Å; E45-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E45-Y163 WeakPolarHBondContact OE2-CE1 3.38Å; K67-Y163 HydrophobicContact CD-CD1 3.93Å; K67-Y163 HydrophobicContact CD-CE1 3.96Å; E161-Y163 PolarHBondContact O-N 3.45Å; Y163-E165 PolarHBondContact O-N 3.09Å
164V43.4Very low55.2Low122 Ų122123 Ų12374%0.73967%0.665SS**  trans-63.191.1163.9-179.50000104.7G162G162-V164 PolarHBondContact O-N 2.87Å
165E47.4Very low53.2Low161 Ų161123.5 Ų123.575%0.75267%0.672SS**  trans-58.5140.3161.3-68.3-157.6162.600107.8Y163Y163-E165 PolarHBondContact O-N 3.09Å
166G39Very low51.5Low45 Ų45131.7 Ų131.746%0.46471%0.706SS.*  trans62.187.3157.300000115.5D168G166-D168 VanDerWaalsContact C-N 3.31Å
167L41Very low49.8Very low177 Ų177135.9 Ų135.993%0.92772%0.72SS**  -104.978.7120.5-68.1178.2000104.7
168D49.1Very low49.3Very low143 Ų143138 Ų13877%0.76573%0.725SS**  trans-55.2142.7156.6-73.2-35.2000107.4G166 E170G166-D168 VanDerWaalsContact C-N 3.31Å; D168-E170 PolarHBondContact O-N 2.58Å
169D42.8Very low49Very low157 Ų157145.8 Ų145.884%0.8475%0.747SS**  trans-45.5102.9159.8-78-48000109.6
170E49.2Very low49.2Very low178 Ų178146.2 Ų146.283%0.83275%0.75SS**  trans-115.6105.2141.7-72.4-168.1174.800105.7D168 E172D168-E170 PolarHBondContact O-N 2.58Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 2.86Å
171E50.7Low49.4Very low160 Ų160150.2 Ų150.275%0.74876%0.755SS**  trans-56.5103.6159.3-61.4-145.2162.800107.2D173E171-D173 PolarHBondContact O-N 3.47Å
172E49.2Very low49.7Very low174 Ų174150.6 Ų150.681%0.81376%0.761SS**  trans-72.290.4157.2-82.7-177.4159.500106.5E170 E174E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 2.86Å; E172-E174 PolarHBondContact O-N 3.11Å
173D53Low50.2Low133 Ų133153 Ų15371%0.71178%0.776SS**  trans-56.594.1152.8-77.8-45.1000107.3E171 D175E171-D173 PolarHBondContact O-N 3.47Å; D173-D175 PolarHBondContact O-N 3.27Å
174E53.1Low50.4Low176 Ų176157 Ų15782%0.82280%0.798SS**  trans-69.178.6167.1-77.4-176.9163.600109.4E172 E176E172-E174 PolarHBondContact O-N 3.11Å; E174-E176 PolarHBondContact O-N 2.94Å
175D53.3Low50.7Low153 Ų153157 Ų15782%0.81880%0.798SS**  trans-86.978.8159-78.9-28.9000108.7D173D173-D175 PolarHBondContact O-N 3.27Å
176E54.7Low51.1Low195 Ų195156.5 Ų156.591%0.91181%0.805SS**  trans-87.998.9165.3-110.8-173.1179.200109.4E174 E178E174-E176 PolarHBondContact O-N 2.94Å; E176-E178 PolarHBondContact O-N 3.11Å
177E54.5Low51.5Low160 Ų160162.7 Ų162.775%0.74882%0.822SS**  trans-60.6121.4171.8-73.7-81.4-170.600111.4Y179E177-Y179 PolarHBondContact O-N 2.69Å
178E59.5Low52Low177 Ų177160.7 Ų160.783%0.82781%0.813SS**  trans-71.2105.8176.4-173.5176-166.500110.1E176 D180E176-E178 PolarHBondContact O-N 3.11Å; E178-D180 PolarHBondContact O-N 3.1Å
179Y53.5Low52.2Low223 Ų223161.7 Ų161.788%0.87581%0.813SS**  trans-79.9104.1171-77.5-89.7000110.4E177E177-Y179 PolarHBondContact O-N 2.69Å
180D59.3Low52.4Low156 Ų156162.1 Ų162.183%0.83481%0.809SS**  trans-79128170.2-136.2-7000110.1E178E178-D180 PolarHBondContact O-N 3.1Å
181E47.5Very low52.5Low166 Ų166160 Ų16078%0.77680%0.804SS**  trans-84.6150.1178.8-161.9175.4-173.200109.6
182D52.9Low52.5Low150 Ų150160.3 Ų160.380%0.80281%0.806SS**  trans85.188.6168.2-55.2-45.9000119.7
183A52.1Low52.7Low109 Ų109158.2 Ų158.290%0.90180%0.8SS**  trans-154.3135140.600000114.2
184Q52.5Low52.7Low182 Ų182160.7 Ų160.785%0.8581%0.807SS**  trans-73.4143.5-168.3-73.9172.5-6.100116.7
185V49.6Very low52.4Low123 Ų123161.3 Ų161.375%0.74581%0.81SS**  56.3117.5127-170.50000119.4
186V56Low52.4Low149 Ų149163.4 Ų163.490%0.90382%0.815SS**  trans-158130.4135-990000110.2
187E48.6Very low52Low175 Ų175163.6 Ų163.682%0.81882%0.816SS**  trans-92.2174.3176-66.7-171156.400111.9
188D51.5Low51.9Low136 Ų136159.6 Ų159.673%0.72782%0.817SS**  trans111100.9160.4-60.8-14.5000115.2
189E51.9Low51.5Low164 Ų164160.1 Ų160.177%0.76682%0.82SS**  89.3102.890.1-63.8-126.9161.300110.7
190E48.1Very low51.3Low165 Ų165158.1 Ų158.177%0.77182%0.819SS**  80.914691.7-76.5-164.9-177.400114.9
191D52Low51.1Low134 Ų134160.3 Ų160.372%0.71782%0.824SS**  trans84.9105.8171.3-54.1-23.1000117.6
192E50.5Low51.2Low167 Ų167159.7 Ų159.778%0.7883%0.826SS**  94.5122.369.6-86.3-170.917900112.7
193D52.4Low51.5Low129 Ų129158.8 Ų158.869%0.6983%0.825SS**  trans89.2133.6140.7-66.6-15.7000124.4
194E53.1Low51.4Low186 Ų186158.6 Ų158.687%0.86982%0.818SS**  trans102.8136.8140.2-80.6175.1-157.800121.7
195E47.5Very low51.7Low188 Ų188153.9 Ų153.988%0.87982%0.817SS**  trans-81.4155.9-165.9-50.4179.8159.800112.9
196E52.7Low52Low198 Ų198156.2 Ų156.293%0.92582%0.82SS**  trans-162.9136.1139.9-123.8-179.4179.700112.6
197E46.4Very low51.8Low198 Ų198157.1 Ų157.193%0.92582%0.815SS**  trans-73154.7176.5-61.9-167.515400112.6
198G51.6Low52.1Low76 Ų76155.9 Ų155.978%0.78481%0.809SS**  trans-154.5134172.100000112.1
199E51.9Low52.2Low188 Ų188156.9 Ų156.988%0.87981%0.809SS**  trans-82.8153.7-153.3-57.5173.6147.200116.1
200E49.8Very low52.2Low182 Ų182155.8 Ų155.885%0.8581%0.809SS**  trans6.8137.8143.4-40.5-81.9159.200119.3
201E53.6Low52.6Low202 Ų202157.3 Ų157.394%0.94482%0.816SS**  trans-158.3142131-80.2-139.5169.600112
202D51Low52.6Low152 Ų152158.7 Ų158.781%0.81382%0.818SS**  trans-112.8129.4-166.7-178.217.7000109.1
203V58.2Low52.9Low131 Ų131154.5 Ų154.579%0.79482%0.819SS**  trans-147.3118.3165-171.80000112.1
204S50.8Low53.1Low106 Ų106158.1 Ų158.174%0.74183%0.825SS**  trans-67.6152.3170.755.30000115.2
205G57.9Low53.5Low82 Ų82157 Ų15785%0.84583%0.825SS**  trans-149.6111.4163.100000112.1
206E56.5Low53.8Low173 Ų173154.7 Ų154.781%0.80882%0.818SS**  trans-74.7137.4176-62.7174.3157.900111.1
207E51.2Low54.1Low167 Ų167148.7 Ų148.778%0.7881%0.809SS**  83.7164.2102.6-66.1-165.2173.900116.1
208E55.6Low54.3Low149 Ų149147.8 Ų147.870%0.69681%0.805SS**  trans90.599.8178.7-42-56.6176.700115.8
209E53.1Low54.6Low158 Ų158151.3 Ų151.374%0.73881%0.811SS**  85.3132.465.9-74.7-163.4172.100114.4
210D52.7Low54.7Low141 Ų141148.8 Ų148.875%0.75480%0.804SS**  trans76.7115.6153.1-55.7-18.3000122
211E56.5Low54.8Low197 Ų197146.6 Ų146.692%0.92180%0.798SS**  -170.7126.6103.2-117.4-174.6168.500112.7
212E51.7Low54.8Low163 Ų163146 Ų14676%0.76280%0.795SS**  trans-79151.5171.6-76.1-87.9172.100111.7Y214E212-Y214 WeakPolarHBondContact OE2-CE2 3.45Å
213G56.9Low54.8Low78 Ų78146.9 Ų146.980%0.80479%0.794SS**  trans-167.370.5175.500000114.5
214Y56.1Low54.6Low205 Ų205148.9 Ų148.980%0.80480%0.801SS**  trans-69.4136164.4-78.8-96.1000111.2E212E212-Y214 WeakPolarHBondContact OE2-CE2 3.45Å
215N60.9Low54.8Low164 Ų164152.1 Ų152.188%0.87780%0.804SS**  trans-144.9101152.9-163.239000110.2
216D55.3Low54.5Low139 Ų139156.5 Ų156.574%0.74380%0.802SS**  trans-97.7141.5162.9173.225.4000107.5
217G58.2Low54.2Low71 Ų71156.9 Ų156.973%0.73280%0.804SS**  trans-155.670.9-172.800000111.6
218E51.1Low53.9Low180 Ų180157.2 Ų157.284%0.84181%0.81SS**  trans-82.2124.9152.4-69.2-167.5160.800109.3
219V58.3Low53.3Low149 Ų149153.4 Ų153.490%0.90381%0.811SS**  trans-147.6130.6150.4-130.60000111.3
220D53.1Low53Low136 Ų136154.2 Ų154.273%0.72781%0.814SS**  trans-55.6165.3177.1-94.2-37.4000117.7
221D52.6Low52.6Low135 Ų135155.4 Ų155.472%0.72282%0.816SS**  trans62.7122.3142.1-63.3-27.1000119.6
222E52.5Low52.2Low191 Ų191155.1 Ų155.189%0.89381%0.814SS**  -172.3153.890.6-90.9-164.5-170.600112.3
223E51.9Low51.8Low169 Ų169159.4 Ų159.479%0.7982%0.823SS**  trans-68.7153.7-173.6-57.2168.7152.500113
224D53.6Low51.3Low174 Ų174159 Ų15993%0.9382%0.82SS**  trans-151.3110.9144.9-100.3-29.6000109.1
225E54.1Low50.9Low173 Ų173158.3 Ų158.381%0.80882%0.824SS**  trans-82.9-177.4171.8-67.1-160.4155.200111.7
226E52.3Low50.4Low175 Ų175159.7 Ų159.782%0.81882%0.822SS**  trans95.4127.9169.2-49.1-163-175.300114.8
227E50.1Low50.2Low181 Ų181164 Ų16485%0.84683%0.828SS**  cis-164.2152.518.9-147-179.6171.600110.2
228L44.3Very low50Low174 Ų174169.9 Ų169.991%0.91183%0.833SS**  trans-89159.4-179.9-74.1157.4000112.9
229G44.6Very low49.9Very low68 Ų68171.6 Ų171.670%0.70183%0.832SS**  trans17489.5159.900000111.8
230E46.3Very low49.8Very low175 Ų175171.5 Ų171.582%0.81882%0.821SS**  64.7104.795.2-70.5-164.1169.700114.6
231E45.1Very low50.1Low167 Ų167170 Ų17078%0.7882%0.819SS**  84.9119101.1-69.3-155.2160.800114.6
232E48Very low50.1Low191 Ų191172.7 Ų172.789%0.89383%0.828SS**  175.1144.2112-96.1-162.9137.900114
233R41.6Very low50.8Low252 Ų252171.4 Ų171.495%0.95183%0.827SS**  trans-90151.5-178.1-67.4165.9161.6162.5-3.9111.2
234G46.7Very low50.8Low70 Ų70172.1 Ų172.172%0.72283%0.83SS**  trans-179.293.5163.900000120.3
235Q49.1Very low51.6Low191 Ų191167.8 Ų167.889%0.89383%0.827SS**  trans50.4109.6133.5-55.118029.700121.5
236K49.5Very low51.6Low193 Ų193168.3 Ų168.384%0.83983%0.829SS**  56.1114.592.9-71.1-170.4176.8178.10118.4
237R52Low52.4Low230 Ų230167.9 Ų167.987%0.86883%0.832SS**  159.3138.9112.4-89.2174.2173.5-177.6-1117.5
238K54.3Low53.1Low193 Ų193166.5 Ų166.584%0.83983%0.831SS**  trans68.8118.5145.6-80.7-177.5167.4-172.10120.7
239R48.4Very low53.9Low216 Ų216169.7 Ų169.782%0.81585%0.849SS**  66.4125.871.5-128.6-164.4177.3-163.78.6111.6
240E55.4Low54.4Low147 Ų147174.8 Ų174.869%0.68786%0.856SS**  -165.3175.857.4-100-171.6-177.500113.5
241P59.2Low54.8Low105 Ų105174.8 Ų174.868%0.68286%0.858SS**  trans-100.9172.6-162.941.2-33.2000114.1
242E54.2Low55.4Low192 Ų192175.2 Ų175.290%0.89786%0.863SS**  trans159126.1150-90.8163.6-157.700109.3
243D66.8Low55.8Low164 Ų164174.3 Ų174.388%0.87786%0.861SS**  -168.4117124.6-146.5-1.3000110.4
244E51.7Low56.7Low184 Ų184169.4 Ų169.486%0.8686%0.855SS**  trans-88.7130.1169.4-70.6-175.7161.600108.1
245G69.3Low57.3Low83 Ų83176.1 Ų176.186%0.85686%0.864SS**  trans-120.795.2168.100000109.8
246E54.3Low57.9Low184 Ų184175 Ų17586%0.8686%0.862SS**  trans-78.5132.4152.8-73.2-177.3155.900107.9
247D69.4Low58.6Low165 Ų165173.6 Ų173.688%0.88286%0.864SS**  trans-145.9143.9153.7-93.8-36.7000109.2
248D64Low59.1Low152 Ų152168.9 Ų168.981%0.81386%0.863SS**  trans-70.7147.3-157.1-66.3-67.7000117.2
249D62.6Low59.6Low242 Ų242166.7 Ų166.7100%1.29487%0.866SS**  -169.50123.3-103.8-27.3000111.9

Retrieved 249 of 249 residues in 483.8 ms (Link to these results)

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