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Signal recognition particle 14 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). SRP9 together with SRP14 and the Alu portion of the SRP RNA, constitutes the elongation arrest domain of SRP. The complex of SRP9 and SRP14 is required for SRP RNA binding.

AlphaFold DB , UniProt , Accession A0A5K4F065, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 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
1M88.7Confident96.6Very high154 Ų15462.7 Ų62.776%0.75934%0.342SS*.  0129.60-175.4-178.2-72.700108.7L3 K67 I68 S69M1-L3 HydrophobicContact CG-CD2 3.79Å; M1-L3 HydrophobicContact CG-CG 4.35Å; M1-L3 HydrophobicContact SD-CD2 3.57Å; M1-L3 VanDerWaalsContact SD-CD2 3.57Å; M1-K67 PolarHBondContact N-O 2.87Å; M1-I68 CarbonylContact O-C 3.47Å; M1-S69 PolarHBondContact O-N 3.11Å; M1-S69 PolarHBondContact O-OG 3.18Å
2L95.5Very high96.7Very high119 Ų11957.5 Ų57.562%0.62331%0.314SS*.EExtended strand (participates in β ladder)trans-82.7124.1173.7-175.764.4000108.8S69 V71L2-S69 CarbonylContact C-O 3.55Å; L2-S69 WeakPolarHBondContact CA-O 3.31Å; L2-V71 HydrophobicContact CD1-CG2 4.1Å
3L97.7Very high96.8Very high30 Ų3059.5 Ų59.516%0.15732%0.319CS..EExtended strand (participates in β ladder)trans-121.6160.6-174.7-60.8175.7000109.6M1 T7 F8 I68 S69 T70M1-L3 HydrophobicContact CG-CD2 3.79Å; M1-L3 HydrophobicContact CG-CG 4.35Å; M1-L3 HydrophobicContact SD-CD2 3.57Å; M1-L3 VanDerWaalsContact SD-CD2 3.57Å; L3-T7 HydrophobicContact CD1-CG2 4.26Å; L3-T7 HydrophobicContact CD2-CG2 4.07Å; L3-F8 HydrophobicContact CB-CB 4.25Å; L3-I68 HydrophobicContact CD1-CB 3.91Å; L3-I68 HydrophobicContact CD1-CG2 3.9Å; L3-S69 PolarHBondContact N-O 3.48Å; L3-T70 PolarHBondContact O-OG1 2.87Å
4D97.3Very high96.7Very high88 Ų8864.6 Ų64.647%0.47134%0.337SS..  trans-70.2167.9162.96987.2000111.3D6 T7 F8D4-D6 PolarHBondContact O-N 3Å; D4-D6 PolarHBondContact OD1-N 3.27Å; D4-T7 VanDerWaalsContact CG-OG1 3.27Å; D4-T7 PolarHBondContact OD1-N 3.43Å; D4-T7 PolarHBondContact OD1-OG1 3.4Å; D4-T7 WeakPolarHBondContact OD2-CB 3.43Å; D4-T7 PolarHBondContact OD2-OG1 3.42Å; D4-F8 VanDerWaalsContact O-CB 3.23Å; D4-F8 WeakPolarHBondContact O-CB 3.41Å; D4-F8 PolarHBondContact O-N 3.05Å
5N97.5Very high96.7Very high29 Ų2960.7 Ų60.716%0.15532%0.317CS..Hα-helixtrans-62.6-43.3-173.5-73.8-22000113.7L9 T70 V71 F80N5-L9 WeakPolarHBondContact O-CG 3.4Å; N5-L9 PolarHBondContact O-N 3.36Å; N5-L9 VanDerWaalsContact O-N 3.17Å; N5-T70 PolarHBondContact OD1-OG1 3.49Å; N5-V71 PolarHBondContact OD1-O 2.76Å; N5-F80 HydrophobicContact CB-CD2 3.95Å; N5-F80 HydrophobicContact CB-CE2 4.36Å
6D97.1Very high96.8Very high85 Ų8557.8 Ų57.846%0.45530%0.301SS..Hα-helixtrans-72.8-44.6-176.8-71-35.9000109.7D4 F8 L9 T10 R79D4-D6 PolarHBondContact O-N 3Å; D4-D6 PolarHBondContact OD1-N 3.27Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 3.02Å; D6-L9 PolarHBondContact O-N 3.18Å; D6-T10 PolarHBondContact O-N 2.98Å; D6-T10 PolarHBondContact O-OG1 3.45Å; D6-R79 IonicContact OD1-NH2 3.68Å; D6-R79 IonicContact OD2-NH2 3.09Å; D6-R79 PolarHBondContact OD2-NH2 3.31Å
7T97.8Very high96.7Very high57 Ų5758.8 Ų58.835%0.3531%0.306SS..Hα-helixtrans-63.3-36.2175.7-56.80000112.3L3 D4 S11L3-T7 HydrophobicContact CD1-CG2 4.26Å; L3-T7 HydrophobicContact CD2-CG2 4.07Å; D4-T7 VanDerWaalsContact CG-OG1 3.27Å; D4-T7 PolarHBondContact OD1-N 3.43Å; D4-T7 PolarHBondContact OD1-OG1 3.4Å; D4-T7 WeakPolarHBondContact OD2-CB 3.43Å; D4-T7 PolarHBondContact OD2-OG1 3.42Å; T7-S11 VanDerWaalsContact O-CB 3.28Å; T7-S11 WeakPolarHBondContact O-CB 3.46Å; T7-S11 PolarHBondContact O-N 3.02Å; T7-S11 PolarHBondContact O-OG 3.09Å
8F98.4Very high96.6Very high0 Ų060.4 Ų60.40%031%0.312CS..Hα-helixtrans-61.7-46174.2175.8-93000111.5L3 D4 D6 S11 L12 L59 A61 I68 T70 F80L3-F8 HydrophobicContact CB-CB 4.25Å; D4-F8 VanDerWaalsContact O-CB 3.23Å; D4-F8 WeakPolarHBondContact O-CB 3.41Å; D4-F8 PolarHBondContact O-N 3.05Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 3.02Å; F8-S11 PolarHBondContact O-N 3.33Å; F8-L12 HydrophobicContact CE1-CD2 3.98Å; F8-L12 HydrophobicContact CZ-CD2 4.44Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 2.72Å; F8-L59 HydrophobicContact CE1-CB 4.34Å; F8-L59 HydrophobicContact CE1-CD2 4.31Å; F8-L59 HydrophobicContact CZ-CB 3.98Å; F8-A61 HydrophobicContact CE2-CB 4.44Å; F8-A61 HydrophobicContact CZ-CB 4.38Å; F8-I68 HydrophobicContact CD2-CB 4.41Å; F8-I68 HydrophobicContact CD2-CD1 3.98Å; F8-I68 HydrophobicContact CD2-CG1 4.1Å; F8-I68 HydrophobicContact CE2-CD1 3.97Å; F8-I68 HydrophobicContact CE2-CG1 3.87Å; F8-T70 HydrophobicContact CB-CG2 3.88Å; F8-T70 HydrophobicContact CD1-CG2 3.54Å; F8-T70 HydrophobicContact CD2-CG2 3.74Å; F8-T70 HydrophobicContact CE1-CG2 3.96Å; F8-T70 HydrophobicContact CE2-CG2 4.14Å; F8-T70 HydrophobicContact CG-CG2 3.42Å; F8-T70 VanDerWaalsContact CG-CG2 3.42Å; F8-T70 HydrophobicContact CZ-CG2 4.24Å; F8-F80 HydrophobicContact CD1-CE2 4.08Å; F8-F80 AromaticContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CE1-CZ 4.05Å
9L98Very high96.5Very high18 Ų1858.6 Ų58.69%0.09431%0.306CS..Hα-helixtrans-64.3-43.7179.3-69.8168.1000111.6N5 D6 S11 L12 H13 F80 A83 Y84 L87N5-L9 WeakPolarHBondContact O-CG 3.4Å; N5-L9 PolarHBondContact O-N 3.36Å; N5-L9 VanDerWaalsContact O-N 3.17Å; D6-L9 PolarHBondContact O-N 3.18Å; L9-S11 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 2.9Å; L9-H13 PolarHBondContact O-N 3.36Å; L9-F80 HydrophobicContact CD1-CD2 4.19Å; L9-F80 HydrophobicContact CD1-CE2 4.2Å; L9-F80 HydrophobicContact CD2-CE2 3.99Å; L9-F80 HydrophobicContact CD2-CZ 4.13Å; L9-F80 HydrophobicContact CG-CD2 4.44Å; L9-F80 HydrophobicContact CG-CE2 3.95Å; L9-A83 HydrophobicContact CD1-CB 3.63Å; L9-Y84 HydrophobicContact CD2-CD2 4.21Å; L9-L87 HydrophobicContact CB-CD1 4.36Å; L9-L87 HydrophobicContact CD2-CD1 4.19Å; L9-L87 VanDerWaalsContact O-CD1 3.27Å; L9-L87 WeakPolarHBondContact O-CD1 3.32Å
10T97.7Very high96.4Very high81 Ų8161.2 Ų61.250%0.49731%0.314SS..Hα-helixtrans-61.5-43.8174.7-560000112D6 H13 K14D6-T10 PolarHBondContact O-N 2.98Å; D6-T10 PolarHBondContact O-OG1 3.45Å; T10-H13 PolarHBondContact O-N 3.08Å; T10-K14 PolarHBondContact O-N 2.94Å
11S97.5Very high96.1Very high29 Ų2963.6 Ų63.620%0.20334%0.337CS..Hα-helixtrans-67.3-39.1178.2-59.30000111.8T7 F8 L9 H13 K14 L15T7-S11 VanDerWaalsContact O-CB 3.28Å; T7-S11 WeakPolarHBondContact O-CB 3.46Å; T7-S11 PolarHBondContact O-N 3.02Å; T7-S11 PolarHBondContact O-OG 3.09Å; F8-S11 PolarHBondContact O-N 3.33Å; L9-S11 PolarHBondContact O-N 3.18Å; S11-H13 VanDerWaalsContact C-N 3.34Å; S11-H13 PolarHBondContact O-N 3.28Å; S11-K14 WeakPolarHBondContact O-CB 3.49Å; S11-K14 PolarHBondContact O-N 3.09Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.47Å
12L97.7Very high96.2Very high0 Ų060.8 Ų60.80%033%0.332CS..Hα-helixtrans-62.1-42.1176.1-178.862.4000111.3F8 L9 K14 L15 F16 L25 I27 A61 I68 Y84 L87F8-L12 HydrophobicContact CE1-CD2 3.98Å; F8-L12 HydrophobicContact CZ-CD2 4.44Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 2.72Å; L9-L12 PolarHBondContact O-N 2.9Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.35Å; L12-L15 WeakPolarHBondContact O-CB 3.42Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-F16 HydrophobicContact CD1-CD2 4.2Å; L12-F16 HydrophobicContact CD1-CE2 3.92Å; L12-F16 HydrophobicContact CD2-CE2 4.2Å; L12-F16 HydrophobicContact CG-CD2 3.98Å; L12-F16 HydrophobicContact CG-CE2 3.8Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 2.84Å; L12-L25 HydrophobicContact CD1-CD2 4.07Å; L12-I27 HydrophobicContact CD1-CD1 3.98Å; L12-I27 HydrophobicContact CD1-CG1 4.36Å; L12-I27 HydrophobicContact CD2-CD1 4.5Å; L12-A61 HydrophobicContact CD1-CB 3.68Å; L12-I68 HydrophobicContact CB-CD1 4.26Å; L12-Y84 HydrophobicContact CD2-CD2 4.03Å; L12-Y84 HydrophobicContact CD2-CE2 3.78Å; L12-L87 HydrophobicContact CB-CD1 4.4Å; L12-L87 HydrophobicContact CD2-CD1 4.32Å; L12-L87 HydrophobicContact CD2-CD2 3.86Å; L12-L87 HydrophobicContact CG-CD1 4.44Å; L12-L87 HydrophobicContact CG-CD2 3.98Å
13H97Very high96.2Very high83 Ų8357.5 Ų57.538%0.38433%0.327SS..Hα-helixtrans-59.1-42.9173.5-179.8-111.1000112.1L9 T10 S11 L15 F16 N17 L87L9-H13 PolarHBondContact O-N 3.36Å; T10-H13 PolarHBondContact O-N 3.08Å; S11-H13 VanDerWaalsContact C-N 3.34Å; S11-H13 PolarHBondContact O-N 3.28Å; H13-L15 VanDerWaalsContact C-N 3.34Å; H13-L15 PolarHBondContact O-N 2.87Å; H13-F16 PolarHBondContact O-N 2.89Å; H13-N17 PolarHBondContact CE1-ND2 3.32Å; H13-N17 VanDerWaalsContact CE1-ND2 3.28Å; H13-N17 PolarHBondContact O-N 3.07Å; H13-N17 VanDerWaalsContact O-N 3.08Å; H13-N17 PolarHBondContact O-ND2 3.16Å; H13-L87 HydrophobicContact CB-CD1 4.1Å
14K96.3Very high96.1Very high131 Ų13159.6 Ų59.657%0.5734%0.344SS*.Hα-helixtrans-60-43174-67.4176.7-178.81790111.9T10 S11 L12 N17 Q18T10-K14 PolarHBondContact O-N 2.94Å; S11-K14 WeakPolarHBondContact O-CB 3.49Å; S11-K14 PolarHBondContact O-N 3.09Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.35Å; K14-N17 PolarHBondContact O-N 3.19Å; K14-Q18 WeakPolarHBondContact O-CG 3.37Å; K14-Q18 PolarHBondContact O-N 3.19Å
15L97Very high96.1Very high6 Ų657 Ų573%0.03133%0.33CS..Hα-helixtrans-63.8-39.6176.7-67.6-179.9000112.5S11 L12 H13 Q18 S19 L25 A61 L63 Q66 I68S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.47Å; L12-L15 WeakPolarHBondContact O-CB 3.42Å; L12-L15 PolarHBondContact O-N 3.28Å; H13-L15 VanDerWaalsContact C-N 3.34Å; H13-L15 PolarHBondContact O-N 2.87Å; L15-Q18 PolarHBondContact O-N 3.5Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-OG 2.81Å; L15-L25 HydrophobicContact CB-CD1 3.93Å; L15-L25 HydrophobicContact CB-CD2 4.4Å; L15-L25 HydrophobicContact CD1-CD1 4.05Å; L15-A61 HydrophobicContact CD1-CB 4.21Å; L15-L63 HydrophobicContact CD2-CB 4.08Å; L15-L63 HydrophobicContact CD2-CD2 4.23Å; L15-Q66 HydrophobicContact CD2-CB 4.03Å; L15-I68 HydrophobicContact CD1-CD1 3.63Å; L15-I68 HydrophobicContact CD1-CG1 3.84Å
16F97.1Very high96.1Very high15 Ų1563 Ų637%0.06635%0.352CS..Hα-helixtrans-59.2-49.5173.7-89.4-70.6000111.3L12 H13 Q18 S19 K20 L25 I27 L87 L88 N91 I92L12-F16 HydrophobicContact CD1-CD2 4.2Å; L12-F16 HydrophobicContact CD1-CE2 3.92Å; L12-F16 HydrophobicContact CD2-CE2 4.2Å; L12-F16 HydrophobicContact CG-CD2 3.98Å; L12-F16 HydrophobicContact CG-CE2 3.8Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 2.84Å; H13-F16 PolarHBondContact O-N 2.89Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 2.83Å; F16-S19 WeakPolarHBondContact CA-OG 3.33Å; F16-S19 PolarHBondContact O-N 3.2Å; F16-S19 VanDerWaalsContact O-N 3.09Å; F16-S19 PolarHBondContact O-OG 3.33Å; F16-K20 PolarHBondContact O-N 2.92Å; F16-L25 HydrophobicContact CD1-CD2 3.68Å; F16-L25 HydrophobicContact CD2-CD2 3.8Å; F16-L25 HydrophobicContact CE1-CD2 3.68Å; F16-L25 HydrophobicContact CE2-CD2 3.78Å; F16-L25 HydrophobicContact CG-CD2 3.75Å; F16-L25 HydrophobicContact CZ-CD2 3.72Å; F16-I27 HydrophobicContact CE2-CD1 4.1Å; F16-I27 HydrophobicContact CZ-CD1 3.83Å; F16-L87 HydrophobicContact CD2-CD2 3.49Å; F16-L87 VanDerWaalsContact CD2-CD2 3.49Å; F16-L87 HydrophobicContact CE2-CD2 3.33Å; F16-L87 HydrophobicContact CZ-CD2 4.42Å; F16-L88 HydrophobicContact CE2-CD2 4Å; F16-L88 HydrophobicContact CZ-CD2 3.66Å; F16-N91 HydrophobicContact CB-CB 3.75Å; F16-N91 WeakPolarHBondContact CB-OD1 3.22Å; F16-N91 HydrophobicContact CD1-CB 3.5Å; F16-N91 HydrophobicContact CD2-CB 3.99Å; F16-N91 HydrophobicContact CE1-CB 4.03Å; F16-N91 HydrophobicContact CE2-CB 4.47Å; F16-N91 HydrophobicContact CG-CB 3.48Å; F16-N91 VanDerWaalsContact CG-CB 3.48Å; F16-N91 HydrophobicContact CZ-CB 4.48Å; F16-I92 HydrophobicContact CE1-CG1 4Å; F16-I92 HydrophobicContact CZ-CG1 4.42Å
17N95Very high96.1Very high74 Ų7461.6 Ų61.640%0.39634%0.343SS..Hα-helixtrans-59.7-39.6178.1-71.5-28.6000112.7H13 K14 K20H13-N17 PolarHBondContact CE1-ND2 3.32Å; H13-N17 VanDerWaalsContact CE1-ND2 3.28Å; H13-N17 PolarHBondContact O-N 3.07Å; H13-N17 VanDerWaalsContact O-N 3.08Å; H13-N17 PolarHBondContact O-ND2 3.16Å; K14-N17 PolarHBondContact O-N 3.19Å; N17-K20 PolarHBondContact O-N 2.83Å
18Q95.4Very high96.1Very high88 Ų8861.5 Ų61.541%0.41134%0.343SS..Hα-helixtrans-65.9-40174.2-71.8176.1-1800112.2K14 L15 F16 K20 S21 L63K14-Q18 WeakPolarHBondContact O-CG 3.37Å; K14-Q18 PolarHBondContact O-N 3.19Å; L15-Q18 PolarHBondContact O-N 3.5Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 2.83Å; Q18-K20 PolarHBondContact O-N 3.45Å; Q18-S21 PolarHBondContact O-N 2.95Å; Q18-S21 PolarHBondContact O-OG 3.48Å; Q18-L63 HydrophobicContact CB-CD2 3.71Å
19S95.4Very high96Very high27 Ų2767.8 Ų67.819%0.18937%0.374CS..Hα-helixtrans-68.9-15.8179.469.80000114.3L15 F16 S21L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-OG 2.81Å; F16-S19 WeakPolarHBondContact CA-OG 3.33Å; F16-S19 PolarHBondContact O-N 3.2Å; F16-S19 VanDerWaalsContact O-N 3.09Å; F16-S19 PolarHBondContact O-OG 3.33Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 3.17Å
20K93.7Very high95.8Very high110 Ų11073 Ų7348%0.47840%0.396SS..THydrogen-bonded Turntrans-66.1-29.1176.6-73.1-174.1178.9-163.90112.7F16 N17 Q18 D93F16-K20 PolarHBondContact O-N 2.92Å; N17-K20 PolarHBondContact O-N 2.83Å; Q18-K20 PolarHBondContact O-N 3.45Å; K20-D93 IonicContact NZ-OD1 3.32Å; K20-D93 IonicContact NZ-OD2 3.87Å; K20-D93 PolarHBondContact NZ-OD2 2.83Å; K20-D93 VanDerWaalsContact NZ-OD2 3.09Å
21S90.6Very high95.6Very high112 Ų11275.9 Ų75.978%0.78340%0.397SS*.THydrogen-bonded Turntrans-84.5-44.7176.961.40000112.1Q18 S19Q18-S21 PolarHBondContact O-N 2.95Å; Q18-S21 PolarHBondContact O-OG 3.48Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 3.17Å
22S91.2Very high95.3Very high95 Ų9576.7 Ų76.766%0.66440%0.396SS*.SBendtrans-164.5154178.4-175.10000111.9
23G94.2Very high94.8Very high49 Ų4978.8 Ų78.851%0.50541%0.408SS..SBendtrans95.1166.2173.800000114.1
24S95.8Very high94.2Very high74 Ų7476.5 Ų76.552%0.51741%0.406SS..  trans-111124.9179.1-57.90000110.1Y26S24-Y26 WeakPolarHBondContact O-CD2 3.2Å
25L96.9Very high93.7Very high34 Ų3474.8 Ų74.818%0.17840%0.396CS..EExtended strand (participates in β ladder)trans-85.4117.8172.7-179.362.3000109.5L12 L15 F16 I27 A61 L63L12-L25 HydrophobicContact CD1-CD2 4.07Å; L15-L25 HydrophobicContact CB-CD1 3.93Å; L15-L25 HydrophobicContact CB-CD2 4.4Å; L15-L25 HydrophobicContact CD1-CD1 4.05Å; F16-L25 HydrophobicContact CD1-CD2 3.68Å; F16-L25 HydrophobicContact CD2-CD2 3.8Å; F16-L25 HydrophobicContact CE1-CD2 3.68Å; F16-L25 HydrophobicContact CE2-CD2 3.78Å; F16-L25 HydrophobicContact CG-CD2 3.75Å; F16-L25 HydrophobicContact CZ-CD2 3.72Å; L25-I27 HydrophobicContact CD2-CD1 4.3Å; L25-I27 HydrophobicContact CD2-CG1 4.48Å; L25-I27 HydrophobicContact CG-CG1 4.21Å; L25-A61 HydrophobicContact CD1-CB 4.35Å; L25-L63 HydrophobicContact CD1-CB 4.18Å
26Y97.6Very high93.2Very high156 Ų15680.5 Ų80.561%0.61243%0.431SS*.EExtended strand (participates in β ladder)trans-98.4128.7174.5-63.2-88.7000109.7S24 A61 T62S24-Y26 WeakPolarHBondContact O-CD2 3.2Å; Y26-A61 CarbonylContact O-C 3.57Å; Y26-A61 VanDerWaalsContact O-CA 3.22Å; Y26-A61 WeakPolarHBondContact O-CA 3.28Å; Y26-T62 PolarHBondContact N-O 2.79Å; Y26-T62 PolarHBondContact O-N 2.89Å
27I97.7Very high92.7Very high54 Ų5487.9 Ų87.928%0.27746%0.463SS..EExtended strand (participates in β ladder)trans-121129.7174-53.6173.9000108.2L12 F16 L25 R60 A61 L88L12-I27 HydrophobicContact CD1-CD1 3.98Å; L12-I27 HydrophobicContact CD1-CG1 4.36Å; L12-I27 HydrophobicContact CD2-CD1 4.5Å; F16-I27 HydrophobicContact CE2-CD1 4.1Å; F16-I27 HydrophobicContact CZ-CD1 3.83Å; L25-I27 HydrophobicContact CD2-CD1 4.3Å; L25-I27 HydrophobicContact CD2-CG1 4.48Å; L25-I27 HydrophobicContact CG-CG1 4.21Å; I27-R60 CarbonylContact C-O 3.56Å; I27-R60 WeakPolarHBondContact CA-O 3.44Å; I27-A61 HydrophobicContact CG1-CB 4.29Å; I27-L88 HydrophobicContact CD1-CD2 4.12Å
28T98Very high92.3Very high55 Ų5590 Ų9034%0.33748%0.481SS..EExtended strand (participates in β ladder)trans-126.3140.7175.868.30000110.2L59 R60T28-L59 CarbonylContact O-C 3.57Å; T28-L59 WeakPolarHBondContact O-CA 3.46Å; T28-R60 PolarHBondContact N-O 3.48Å; T28-R60 PolarHBondContact O-N 3Å; T28-R60 PolarHBondContact OG1-NE 2.61Å; T28-R60 PolarHBondContact OG1-NH2 3.21Å; T28-R60 VanDerWaalsContact OG1-NH2 3.13Å
29M96Very high91.5Very high132 Ų13289.7 Ų89.765%0.6549%0.485SS*.EExtended strand (participates in β ladder)trans-125.9126.8174.8-177.4176.872.300108.2C57 L58 L59M29-C57 HydrophobicContact CG-CB 4.23Å; M29-L58 WeakPolarHBondContact CA-O 3.49Å; M29-L59 HydrophobicContact CB-CD1 4.41Å; M29-L59 HydrophobicContact CB-CG 4.21Å; M29-L59 HydrophobicContact CG-CD1 3.75Å; M29-L59 HydrophobicContact CG-CG 4.09Å; M29-L59 HydrophobicContact SD-CD1 4.17Å
30K94.7Very high90.9Very high129 Ų12992.4 Ų92.456%0.56150%0.502SS*.EExtended strand (participates in β ladder)trans-135152.2177.7-65.9-168.1174.5-166.90110Y32 C57 L58K30-Y32 PolarHBondContact O-N 3.04Å; K30-C57 CarbonylContact O-C 3.5Å; K30-C57 VanDerWaalsContact O-CA 3.27Å; K30-C57 WeakPolarHBondContact O-CA 3.23Å; K30-C57 WeakPolarHBondContact O-CB 3.33Å; K30-L58 PolarHBondContact N-O 3.41Å; K30-L58 PolarHBondContact O-N 3.48Å
31R92.8Very high90.3Very high140 Ų14095.9 Ų95.953%0.52852%0.517SS..EExtended strand (participates in β ladder)trans-58.3133.1167-176.9179.2170.283.94.3108.7T52 N55R31-T52 PolarHBondContact NH2-O 3.35Å; R31-N55 PolarHBondContact NH1-OD1 2.98Å
32Y91.7Very high89.3Confident47 Ų47102.5 Ų102.518%0.18453%0.525CS..EExtended strand (participates in β ladder)trans-103135.4174.9-174.1-123.5000109.2K30 S56 L58 V71K30-Y32 PolarHBondContact O-N 3.04Å; Y32-S56 PolarHBondContact N-O 3.17Å; Y32-S56 PolarHBondContact O-OG 3.19Å; Y32-L58 HydrophobicContact CD2-CB 4.18Å; Y32-L58 HydrophobicContact CD2-CD2 4.43Å; Y32-L58 HydrophobicContact CG-CB 4.27Å; Y32-V71 HydrophobicContact CD1-CB 4.31Å; Y32-V71 HydrophobicContact CD1-CG1 3.5Å; Y32-V71 HydrophobicContact CD1-CG2 3.75Å; Y32-V71 HydrophobicContact CE1-CB 4.49Å; Y32-V71 HydrophobicContact CE1-CG1 3.95Å; Y32-V71 HydrophobicContact CE1-CG2 3.73Å; Y32-V71 HydrophobicContact CG-CG1 4.35Å; Y32-V71 HydrophobicContact CG-CG2 4.22Å
33D86Confident87.8Confident44 Ų44101.7 Ų101.724%0.23552%0.516CS..  trans-112.415.3-174.857.54.5000112R35 T52D33-R35 HydrophobicContact CB-CG 4.47Å; D33-R35 PolarHBondContact O-N 3.25Å; D33-R35 VanDerWaalsContact O-N 3.15Å; D33-R35 WeakPolarHBondContact OD1-CB 3.27Å; D33-R35 WeakPolarHBondContact OD1-CG 3.35Å; D33-R35 PolarHBondContact OD1-N 3.13Å; D33-R35 VanDerWaalsContact OD2-CD 3.23Å; D33-R35 WeakPolarHBondContact OD2-CD 3.36Å; D33-R35 IonicContact OD2-CZ 3.31Å; D33-R35 IonicContact OD2-NE 2.98Å; D33-R35 PolarHBondContact OD2-NE 3.19Å; D33-R35 IonicContact OD2-NH1 2.85Å; D33-R35 IonicContact OD2-NH2 3.54Å; D33-R35 PolarHBondContact OD2-NH2 2.82Å; D33-T52 WeakPolarHBondContact O-CG2 3.28Å
34G86Confident86Confident34 Ų34107.3 Ų107.335%0.35153%0.529SS..  trans72.20.5179.300000115.1V36G34-V36 PolarHBondContact O-N 3.26Å
35R84.6Confident84Confident95 Ų95113.5 Ų113.536%0.35855%0.546SS..  trans-71.2121.9-174.3-65.2-179.3-159.6157.625.1111.5D33D33-R35 HydrophobicContact CB-CG 4.47Å; D33-R35 PolarHBondContact O-N 3.25Å; D33-R35 VanDerWaalsContact O-N 3.15Å; D33-R35 WeakPolarHBondContact OD1-CB 3.27Å; D33-R35 WeakPolarHBondContact OD1-CG 3.35Å; D33-R35 PolarHBondContact OD1-N 3.13Å; D33-R35 VanDerWaalsContact OD2-CD 3.23Å; D33-R35 WeakPolarHBondContact OD2-CD 3.36Å; D33-R35 IonicContact OD2-CZ 3.31Å; D33-R35 IonicContact OD2-NE 2.98Å; D33-R35 PolarHBondContact OD2-NE 3.19Å; D33-R35 IonicContact OD2-NH1 2.85Å; D33-R35 IonicContact OD2-NH2 3.54Å; D33-R35 PolarHBondContact OD2-NH2 2.82Å
36V86.3Confident82.1Confident126 Ų126115.9 Ų115.976%0.76456%0.562SS**SBendtrans-103.8-6.1170.9-63.10000113.1G34G34-V36 PolarHBondContact O-N 3.26Å
37K86.6Confident80.1Confident170 Ų170118 Ų11874%0.73957%0.574SS**SBendtrans-134.9150.5-179.8-71.4177.5-175.31780110.2
38P86.1Confident77.9Confident119 Ų119121.9 Ų121.977%0.77360%0.596SS**PPolyproline II helixtrans-64.6151.5176.127.8-34.9000111.5P40P38-P40 WeakPolarHBondContact O-CD 3.1Å
39V80.1Confident75.9Confident81 Ų81122.4 Ų122.449%0.49160%0.599SS.*PPolyproline II helixtrans-75.5123.4174-178.80000109.3V49V39-V49 HydrophobicContact CG2-CG1 4.4Å
40P82.8Confident74Confident85 Ų85122.6 Ų122.655%0.55260%0.598SS**PPolyproline II helixtrans-62.3135.6180-23.333.6000113P38 R42 V43P38-P40 WeakPolarHBondContact O-CD 3.1Å; P40-R42 VanDerWaalsContact C-N 3.25Å; P40-R42 PolarHBondContact O-N 3.46Å; P40-V43 HydrophobicContact CB-CG2 4.26Å; P40-V43 PolarHBondContact O-N 3.48Å
41K80.1Confident72.1Confident183 Ų183121.7 Ų121.780%0.79660%0.603SS**G310 helixtrans-60.5-28.2-177.9-68.1-176178.9-179.70114.2Q44K41-Q44 WeakPolarHBondContact O-CG 3.34Å
42R69.6Low70.6Confident251 Ų251117 Ų11795%0.94759%0.59SS**G310 helixtrans-83.4-9-173.3-69.3-174.7178.2-179.7-0.2114.7P40P40-R42 VanDerWaalsContact C-N 3.25Å; P40-R42 PolarHBondContact O-N 3.46Å
43V59.5Low69.6Low78 Ų78122.2 Ų122.247%0.47362%0.621SS.*G310 helixtrans-10517.5-173.9-164.50000112.1P40 K45 V46P40-V43 HydrophobicContact CB-CG2 4.26Å; P40-V43 PolarHBondContact O-N 3.48Å; V43-K45 PolarHBondContact O-N 3.1Å; V43-V46 HydrophobicContact CG1-CB 4.12Å; V43-V46 HydrophobicContact CG1-CG2 3.65Å; V43-V46 PolarHBondContact O-N 2.87Å
44Q57Low69.3Low166 Ų166126 Ų12678%0.77664%0.637SS**THydrogen-bonded Turntrans-58.6-2.7-175.5-76.8174.4-7.700115.6K41K41-Q44 WeakPolarHBondContact O-CG 3.34Å
45K55Low69.3Low205 Ų205128.5 Ų128.589%0.89164%0.642SS**THydrogen-bonded Turntrans-93.9-9.4173.5-71.3-169179.4-176.80115.5V43 K47V43-K45 PolarHBondContact O-N 3.1Å; K45-K47 PolarHBondContact O-N 2.92Å
46V55.7Low69.7Low84 Ų84124.4 Ų124.451%0.50963%0.628SS.*  trans-90.2100175.5-172.10000108.2V43 D48V43-V46 HydrophobicContact CG1-CB 4.12Å; V43-V46 HydrophobicContact CG1-CG2 3.65Å; V43-V46 PolarHBondContact O-N 2.87Å; V46-D48 HydrophobicContact CG1-CB 4.2Å; V46-D48 PolarHBondContact O-N 2.94Å
47K55.1Low70.1Confident199 Ų199119.1 Ų119.187%0.86560%0.597SS**  trans-65.12.6178.8-74.9-177.8176.31790114.3K45 V49K45-K47 PolarHBondContact O-N 2.92Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 2.81Å
48D52.6Low70.6Confident137 Ų137112.7 Ų112.773%0.73357%0.57SS**  trans-93.265.3174.6-65.2-45.2000111V46 H50V46-D48 HydrophobicContact CG1-CB 4.2Å; V46-D48 PolarHBondContact O-N 2.94Å; D48-H50 PolarHBondContact O-N 3.28Å
49V56.2Low71.1Confident66 Ų66107.1 Ų107.140%0.453%0.534SS..  trans-7673.3177.6-163.20000109.4V39 K47 V51V39-V49 HydrophobicContact CG2-CG1 4.4Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 2.81Å; V49-V51 VanDerWaalsContact C-N 3.31Å; V49-V51 PolarHBondContact O-N 2.93Å
50H54.7Low72Confident136 Ų136107.8 Ų107.863%0.6353%0.528SS*.  trans30.864.1172.1-88.254.2000112.2D48 T52D48-H50 PolarHBondContact O-N 3.28Å; H50-T52 PolarHBondContact O-N 3.48Å
51V56.5Low72.7Confident109 Ų109103.8 Ų103.866%0.66150%0.502SS*.  trans-74.289.3165.4-175.90000104.6V49 N53V49-V51 VanDerWaalsContact C-N 3.31Å; V49-V51 PolarHBondContact O-N 2.93Å; V51-N53 PolarHBondContact O-N 3.5Å; V51-N53 VanDerWaalsContact O-N 3.12Å
52T61.4Low73.6Confident43 Ų4397 Ų9726%0.26448%0.475SS..  trans-57.9121.2165.456.10000106.2R31 D33 H50 E54R31-T52 PolarHBondContact NH2-O 3.35Å; D33-T52 WeakPolarHBondContact O-CG2 3.28Å; H50-T52 PolarHBondContact O-N 3.48Å; T52-E54 PolarHBondContact O-N 3.38Å; T52-E54 PolarHBondContact OG1-O 3.08Å
53N69.4Low74.9Confident155 Ų15585.9 Ų85.983%0.82944%0.435SS*.SBendtrans-58.5-19.8176.1-75.3-15.9000111.5V51 N55V51-N53 PolarHBondContact O-N 3.5Å; V51-N53 VanDerWaalsContact O-N 3.12Å; N53-N55 PolarHBondContact O-N 3.34Å
54E79.3Confident76.6Confident124 Ų12484.9 Ų84.958%0.57944%0.44SS*.SBendtrans-73.2118.1172.8-62.6-167.2-17900111.9T52 S56 H73T52-E54 PolarHBondContact O-N 3.38Å; T52-E54 PolarHBondContact OG1-O 3.08Å; E54-S56 PolarHBondContact O-N 2.79Å; E54-H73 IonicContact OE2-CE1 3.53Å; E54-H73 IonicContact OE2-ND1 2.86Å; E54-H73 PolarHBondContact OE2-ND1 3.44Å
55N88Confident78.3Confident86 Ų8684.8 Ų84.846%0.4645%0.445SS..  trans-73.5103.5168.1-66.7-42.4000108.9R31 N53 Q74R31-N55 PolarHBondContact NH1-OD1 2.98Å; N53-N55 PolarHBondContact O-N 3.34Å; N55-Q74 WeakPolarHBondContact O-CB 3.4Å; N55-Q74 PolarHBondContact O-N 3.35Å; N55-Q74 VanDerWaalsContact O-N 3.11Å
56S93Very high80.3Confident9 Ų979.4 Ų79.46%0.06342%0.423CS..EExtended strand (participates in β ladder)trans-127.4156174.263.60000111Y32 E54 V72Y32-S56 PolarHBondContact N-O 3.17Å; Y32-S56 PolarHBondContact O-OG 3.19Å; E54-S56 PolarHBondContact O-N 2.79Å; S56-V72 CarbonylContact C-O 3.6Å; S56-V72 VanDerWaalsContact CA-O 3.25Å; S56-V72 WeakPolarHBondContact CA-O 3.4Å; S56-V72 WeakPolarHBondContact CB-O 3.09Å
57C94.4Very high82.3Confident15 Ų1582 Ų8210%0.10143%0.427CS..EExtended strand (participates in β ladder)trans-125.7141.6174.469.70000111.4M29 K30 L59 V71 V72M29-C57 HydrophobicContact CG-CB 4.23Å; K30-C57 CarbonylContact O-C 3.5Å; K30-C57 VanDerWaalsContact O-CA 3.27Å; K30-C57 WeakPolarHBondContact O-CA 3.23Å; K30-C57 WeakPolarHBondContact O-CB 3.33Å; C57-L59 HydrophobicContact CB-CD1 4.29Å; C57-L59 WeakPolarHBondContact SG-CD1 3.45Å; C57-V71 CarbonylContact O-C 3.49Å; C57-V71 WeakPolarHBondContact O-CA 3.34Å; C57-V72 PolarHBondContact N-O 2.89Å; C57-V72 PolarHBondContact O-N 3.38Å
58L95.9Very high84.4Confident36 Ų3673.5 Ų73.519%0.18839%0.392CS..EExtended strand (participates in β ladder)trans-95.8117.4172.4174.865000108M29 K30 Y32 R60 V71M29-L58 WeakPolarHBondContact CA-O 3.49Å; K30-L58 PolarHBondContact N-O 3.41Å; K30-L58 PolarHBondContact O-N 3.48Å; Y32-L58 HydrophobicContact CD2-CB 4.18Å; Y32-L58 HydrophobicContact CD2-CD2 4.43Å; Y32-L58 HydrophobicContact CG-CB 4.27Å; L58-R60 HydrophobicContact CD1-CG 4.32Å; L58-R60 HydrophobicContact CD2-CG 4.38Å; L58-R60 HydrophobicContact CG-CG 4.04Å; L58-V71 HydrophobicContact CD1-CG2 3.97Å
59L97.8Very high86.5Confident1 Ų168 Ų681%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-100.5139.2170.2-82.277000109.6F8 T28 M29 C57 S69 T70 V72 F80 Y84F8-L59 HydrophobicContact CE1-CB 4.34Å; F8-L59 HydrophobicContact CE1-CD2 4.31Å; F8-L59 HydrophobicContact CZ-CB 3.98Å; T28-L59 CarbonylContact O-C 3.57Å; T28-L59 WeakPolarHBondContact O-CA 3.46Å; M29-L59 HydrophobicContact CB-CD1 4.41Å; M29-L59 HydrophobicContact CB-CG 4.21Å; M29-L59 HydrophobicContact CG-CD1 3.75Å; M29-L59 HydrophobicContact CG-CG 4.09Å; M29-L59 HydrophobicContact SD-CD1 4.17Å; C57-L59 HydrophobicContact CB-CD1 4.29Å; C57-L59 WeakPolarHBondContact SG-CD1 3.45Å; L59-S69 CarbonylContact O-C 3.58Å; L59-S69 WeakPolarHBondContact O-CA 3.39Å; L59-S69 WeakPolarHBondContact O-CB 3.49Å; L59-T70 HydrophobicContact CB-CG2 4.02Å; L59-T70 PolarHBondContact N-O 3.07Å; L59-T70 PolarHBondContact O-N 2.96Å; L59-V72 HydrophobicContact CD1-CG2 3.98Å; L59-F80 HydrophobicContact CD2-CE1 3.58Å; L59-F80 HydrophobicContact CD2-CZ 3.73Å; L59-Y84 HydrophobicContact CD2-CE2 4.38Å
60R98.1Very high88.5Confident96 Ų9665 Ų6536%0.36235%0.345SS..EExtended strand (participates in β ladder)trans-136.1133.9176.8-56.1175-69167.89.1109.1I27 T28 L58 I68I27-R60 CarbonylContact C-O 3.56Å; I27-R60 WeakPolarHBondContact CA-O 3.44Å; T28-R60 PolarHBondContact N-O 3.48Å; T28-R60 PolarHBondContact O-N 3Å; T28-R60 PolarHBondContact OG1-NE 2.61Å; T28-R60 PolarHBondContact OG1-NH2 3.21Å; T28-R60 VanDerWaalsContact OG1-NH2 3.13Å; L58-R60 HydrophobicContact CD1-CG 4.32Å; L58-R60 HydrophobicContact CD2-CG 4.38Å; L58-R60 HydrophobicContact CG-CG 4.04Å; R60-I68 WeakPolarHBondContact CA-O 3.14Å
61A98.1Very high90.5Very high0 Ų059.5 Ų59.50%032%0.321CS..EExtended strand (participates in β ladder)trans-121142.7172.800000110.6F8 L12 L15 L25 Y26 I27 I68F8-A61 HydrophobicContact CE2-CB 4.44Å; F8-A61 HydrophobicContact CZ-CB 4.38Å; L12-A61 HydrophobicContact CD1-CB 3.68Å; L15-A61 HydrophobicContact CD1-CB 4.21Å; L25-A61 HydrophobicContact CD1-CB 4.35Å; Y26-A61 CarbonylContact O-C 3.57Å; Y26-A61 VanDerWaalsContact O-CA 3.22Å; Y26-A61 WeakPolarHBondContact O-CA 3.28Å; I27-A61 HydrophobicContact CG1-CB 4.29Å; A61-I68 HydrophobicContact CB-CD1 4.2Å; A61-I68 HydrophobicContact CB-CG1 3.8Å; A61-I68 PolarHBondContact N-O 2.83Å; A61-I68 PolarHBondContact O-N 2.78Å
62T98Very high92.4Very high40 Ų4054.3 Ų54.325%0.24529%0.29CS..EExtended strand (participates in β ladder)trans-143128.4-176.6-59.50000111.5Y26 G64 Q66 K67Y26-T62 PolarHBondContact N-O 2.79Å; Y26-T62 PolarHBondContact O-N 2.89Å; T62-G64 WeakPolarHBondContact CG2-O 3.38Å; T62-Q66 VanDerWaalsContact CA-O 3.32Å; T62-Q66 WeakPolarHBondContact CA-O 3.13Å; T62-K67 HydrophobicContact CG2-CG 3.95Å
63L97Very high94Very high18 Ų1855.3 Ų55.39%0.09429%0.292CS..EExtended strand (participates in β ladder)trans-128.499.4170.8-179.964.4000107.9L15 Q18 L25 N65 Q66L15-L63 HydrophobicContact CD2-CB 4.08Å; L15-L63 HydrophobicContact CD2-CD2 4.23Å; Q18-L63 HydrophobicContact CB-CD2 3.71Å; L25-L63 HydrophobicContact CD1-CB 4.18Å; L63-N65 PolarHBondContact O-N 3.37Å; L63-N65 VanDerWaalsContact O-N 3.11Å; L63-Q66 PolarHBondContact N-O 3.28Å; L63-Q66 PolarHBondContact O-N 2.97Å
64G94.9Very high95.2Very high57 Ų5753.5 Ų53.559%0.58828%0.278SS*.THydrogen-bonded Turntrans55.9-115.6-171.900000111.8T62T62-G64 WeakPolarHBondContact CG2-O 3.38Å
65N94.3Very high95.9Very high164 Ų16455.7 Ų55.788%0.87729%0.286SS*.THydrogen-bonded Turntrans-83.6-15.8-179.3-66.4-17.3000113.8L63L63-N65 PolarHBondContact O-N 3.37Å; L63-N65 VanDerWaalsContact O-N 3.11Å
66Q95.8Very high96.3Very high93 Ų9354.4 Ų54.444%0.43528%0.279SS..EExtended strand (participates in β ladder)trans-80.2123.5-179.3-63.6-174.781.500110.5L15 T62 L63L15-Q66 HydrophobicContact CD2-CB 4.03Å; T62-Q66 VanDerWaalsContact CA-O 3.32Å; T62-Q66 WeakPolarHBondContact CA-O 3.13Å; L63-Q66 PolarHBondContact N-O 3.28Å; L63-Q66 PolarHBondContact O-N 2.97Å
67K97.9Very high96.4Very high137 Ų13756.3 Ų56.360%0.59629%0.287SS*.EExtended strand (participates in β ladder)trans-133.4118.1-175.7-64.2177.9-176.6173.50111.8M1 T62M1-K67 PolarHBondContact N-O 2.87Å; T62-K67 HydrophobicContact CG2-CG 3.95Å
68I98.3Very high96.4Very high22 Ų2261.4 Ų61.411%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-122.3153.7174.762.8172.9000110.6M1 L3 F8 L12 L15 R60 A61M1-I68 CarbonylContact O-C 3.47Å; L3-I68 HydrophobicContact CD1-CB 3.91Å; L3-I68 HydrophobicContact CD1-CG2 3.9Å; F8-I68 HydrophobicContact CD2-CB 4.41Å; F8-I68 HydrophobicContact CD2-CD1 3.98Å; F8-I68 HydrophobicContact CD2-CG1 4.1Å; F8-I68 HydrophobicContact CE2-CD1 3.97Å; F8-I68 HydrophobicContact CE2-CG1 3.87Å; L12-I68 HydrophobicContact CB-CD1 4.26Å; L15-I68 HydrophobicContact CD1-CD1 3.63Å; L15-I68 HydrophobicContact CD1-CG1 3.84Å; R60-I68 WeakPolarHBondContact CA-O 3.14Å; A61-I68 HydrophobicContact CB-CD1 4.2Å; A61-I68 HydrophobicContact CB-CG1 3.8Å; A61-I68 PolarHBondContact N-O 2.83Å; A61-I68 PolarHBondContact O-N 2.78Å
69S98.2Very high96.4Very high22 Ų2267.9 Ų67.915%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-151.8150.4179.851.90000111.1M1 L2 L3 L59M1-S69 PolarHBondContact O-N 3.11Å; M1-S69 PolarHBondContact O-OG 3.18Å; L2-S69 CarbonylContact C-O 3.55Å; L2-S69 WeakPolarHBondContact CA-O 3.31Å; L3-S69 PolarHBondContact N-O 3.48Å; L59-S69 CarbonylContact O-C 3.58Å; L59-S69 WeakPolarHBondContact O-CA 3.39Å; L59-S69 WeakPolarHBondContact O-CB 3.49Å
70T98.2Very high96.4Very high1 Ų168.4 Ų68.41%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-139153.9171-1740000110.3L3 N5 F8 L59 V72 F80L3-T70 PolarHBondContact O-OG1 2.87Å; N5-T70 PolarHBondContact OD1-OG1 3.49Å; F8-T70 HydrophobicContact CB-CG2 3.88Å; F8-T70 HydrophobicContact CD1-CG2 3.54Å; F8-T70 HydrophobicContact CD2-CG2 3.74Å; F8-T70 HydrophobicContact CE1-CG2 3.96Å; F8-T70 HydrophobicContact CE2-CG2 4.14Å; F8-T70 HydrophobicContact CG-CG2 3.42Å; F8-T70 VanDerWaalsContact CG-CG2 3.42Å; F8-T70 HydrophobicContact CZ-CG2 4.24Å; L59-T70 HydrophobicContact CB-CG2 4.02Å; L59-T70 PolarHBondContact N-O 3.07Å; L59-T70 PolarHBondContact O-N 2.96Å; T70-V72 HydrophobicContact CG2-CG2 4.04Å; T70-F80 HydrophobicContact CG2-CE2 4.14Å; T70-F80 HydrophobicContact CG2-CZ 4.2Å
71V96.9Very high96.4Very high21 Ų2167.7 Ų67.713%0.12734%0.341CS..EExtended strand (participates in β ladder)trans-106119.7168.5174.60000108.1L2 N5 Y32 C57 L58L2-V71 HydrophobicContact CD1-CG2 4.1Å; N5-V71 PolarHBondContact OD1-O 2.76Å; Y32-V71 HydrophobicContact CD1-CB 4.31Å; Y32-V71 HydrophobicContact CD1-CG1 3.5Å; Y32-V71 HydrophobicContact CD1-CG2 3.75Å; Y32-V71 HydrophobicContact CE1-CB 4.49Å; Y32-V71 HydrophobicContact CE1-CG1 3.95Å; Y32-V71 HydrophobicContact CE1-CG2 3.73Å; Y32-V71 HydrophobicContact CG-CG1 4.35Å; Y32-V71 HydrophobicContact CG-CG2 4.22Å; C57-V71 CarbonylContact O-C 3.49Å; C57-V71 WeakPolarHBondContact O-CA 3.34Å; L58-V71 HydrophobicContact CD1-CG2 3.97Å
72V96.7Very high96.3Very high0 Ų074 Ų740%037%0.371CS..EExtended strand (participates in β ladder)trans-100.8115.6177.6-170.60000108.4S56 C57 L59 T70 M77 F80S56-V72 CarbonylContact C-O 3.6Å; S56-V72 VanDerWaalsContact CA-O 3.25Å; S56-V72 WeakPolarHBondContact CA-O 3.4Å; S56-V72 WeakPolarHBondContact CB-O 3.09Å; C57-V72 PolarHBondContact N-O 2.89Å; C57-V72 PolarHBondContact O-N 3.38Å; L59-V72 HydrophobicContact CD1-CG2 3.98Å; T70-V72 HydrophobicContact CG2-CG2 4.04Å; V72-M77 HydrophobicContact CB-CE 4.15Å; V72-M77 HydrophobicContact CG1-CE 3.76Å; V72-M77 HydrophobicContact CG1-SD 4.13Å; V72-F80 HydrophobicContact CG1-CB 3.86Å; V72-F80 HydrophobicContact CG1-CD1 4.13Å; V72-F80 HydrophobicContact CG1-CD2 4.47Å; V72-F80 HydrophobicContact CG1-CG 3.88Å; V72-F80 HydrophobicContact CG2-CD1 3.82Å; V72-F80 HydrophobicContact CG2-CD2 3.91Å; V72-F80 HydrophobicContact CG2-CE1 3.84Å; V72-F80 HydrophobicContact CG2-CE2 3.91Å; V72-F80 HydrophobicContact CG2-CG 3.86Å; V72-F80 HydrophobicContact CG2-CZ 3.89Å
73H94.8Very high96.3Very high65 Ų6574.1 Ų74.130%0.30138%0.376SS..EExtended strand (participates in β ladder)trans-80.8155.6173.8-65.4-95000110.7E54 K75 D76 M77E54-H73 IonicContact OE2-CE1 3.53Å; E54-H73 IonicContact OE2-ND1 2.86Å; E54-H73 PolarHBondContact OE2-ND1 3.44Å; H73-K75 HydrophobicContact CB-CG 4.08Å; H73-K75 PolarHBondContact O-N 3.48Å; H73-K75 VanDerWaalsContact O-N 3.13Å; H73-D76 PolarHBondContact O-N 2.86Å; H73-M77 PolarHBondContact O-N 3.27Å
74Q93.8Very high96.4Very high116 Ų11675.1 Ų75.154%0.54238%0.379SS..G310 helixtrans-49.2-40.9177.8-177.862.226.100113.3N55 D76 M77N55-Q74 WeakPolarHBondContact O-CB 3.4Å; N55-Q74 PolarHBondContact O-N 3.35Å; N55-Q74 VanDerWaalsContact O-N 3.11Å; Q74-D76 VanDerWaalsContact C-N 3.27Å; Q74-D76 PolarHBondContact O-N 3.43Å; Q74-M77 WeakPolarHBondContact O-CB 3.4Å; Q74-M77 PolarHBondContact O-N 3.27Å
75K94.5Very high96.5Very high171 Ų17174.1 Ų74.174%0.74336%0.363SS*.G310 helixtrans-60.5-32.4-178.765.6-178.6-176.2179.10113.7H73H73-K75 HydrophobicContact CB-CG 4.08Å; H73-K75 PolarHBondContact O-N 3.48Å; H73-K75 VanDerWaalsContact O-N 3.13Å
76D95.6Very high96.6Very high58 Ų5871.2 Ų71.231%0.3135%0.347SS..G310 helixtrans-100.1-7.5-175.6-57.7-50.4000112.4H73 Q74 N78 R79 F80H73-D76 PolarHBondContact O-N 2.86Å; Q74-D76 VanDerWaalsContact C-N 3.27Å; Q74-D76 PolarHBondContact O-N 3.43Å; D76-N78 VanDerWaalsContact C-N 3.34Å; D76-N78 PolarHBondContact O-N 2.82Å; D76-R79 PolarHBondContact O-N 3.35Å; D76-F80 WeakPolarHBondContact O-CB 3.37Å; D76-F80 PolarHBondContact O-N 3.39Å
77M94.4Very high96.7Very high50 Ų5067.7 Ų67.725%0.24633%0.331CS..Hα-helixtrans-56.4-43.9-170.7-17659.964.500113V72 H73 Q74 F80 N81V72-M77 HydrophobicContact CB-CE 4.15Å; V72-M77 HydrophobicContact CG1-CE 3.76Å; V72-M77 HydrophobicContact CG1-SD 4.13Å; H73-M77 PolarHBondContact O-N 3.27Å; Q74-M77 WeakPolarHBondContact O-CB 3.4Å; Q74-M77 PolarHBondContact O-N 3.27Å; M77-F80 PolarHBondContact O-N 3.08Å; M77-N81 WeakPolarHBondContact O-CB 3.23Å; M77-N81 PolarHBondContact O-N 3.19Å
78N95.8Very high96.7Very high122 Ų12263 Ų6365%0.65231%0.312SS*.Hα-helixtrans-63.6-47.8-178-73.5-31.9000111.7D76 N81 Q82D76-N78 VanDerWaalsContact C-N 3.34Å; D76-N78 PolarHBondContact O-N 2.82Å; N78-N81 PolarHBondContact O-N 2.98Å; N78-Q82 WeakPolarHBondContact O-CG 3.35Å; N78-Q82 PolarHBondContact O-N 3.37Å
79R96.5Very high96.5Very high171 Ų17169.6 Ų69.665%0.64534%0.34SS*.Hα-helixtrans-64.6-46.5177.5179.1176.5167.4-172.5-11.5110.8D6 D76 N81 Q82 A83D6-R79 IonicContact OD1-NH2 3.68Å; D6-R79 IonicContact OD2-NH2 3.09Å; D6-R79 PolarHBondContact OD2-NH2 3.31Å; D76-R79 PolarHBondContact O-N 3.35Å; R79-N81 VanDerWaalsContact C-N 3.35Å; R79-N81 PolarHBondContact O-N 2.86Å; R79-Q82 PolarHBondContact O-N 3.11Å; R79-A83 PolarHBondContact O-N 3.24Å
80F97.5Very high96.4Very high12 Ų1271.7 Ų71.75%0.05336%0.359CS..Hα-helixtrans-59-46.2177.9-175.4-90.5000111.5N5 F8 L9 L59 T70 V72 D76 M77 Q82 A83 Y84N5-F80 HydrophobicContact CB-CD2 3.95Å; N5-F80 HydrophobicContact CB-CE2 4.36Å; F8-F80 HydrophobicContact CD1-CE2 4.08Å; F8-F80 AromaticContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CE1-CZ 4.05Å; L9-F80 HydrophobicContact CD1-CD2 4.19Å; L9-F80 HydrophobicContact CD1-CE2 4.2Å; L9-F80 HydrophobicContact CD2-CE2 3.99Å; L9-F80 HydrophobicContact CD2-CZ 4.13Å; L9-F80 HydrophobicContact CG-CD2 4.44Å; L9-F80 HydrophobicContact CG-CE2 3.95Å; L59-F80 HydrophobicContact CD2-CE1 3.58Å; L59-F80 HydrophobicContact CD2-CZ 3.73Å; T70-F80 HydrophobicContact CG2-CE2 4.14Å; T70-F80 HydrophobicContact CG2-CZ 4.2Å; V72-F80 HydrophobicContact CG1-CB 3.86Å; V72-F80 HydrophobicContact CG1-CD1 4.13Å; V72-F80 HydrophobicContact CG1-CD2 4.47Å; V72-F80 HydrophobicContact CG1-CG 3.88Å; V72-F80 HydrophobicContact CG2-CD1 3.82Å; V72-F80 HydrophobicContact CG2-CD2 3.91Å; V72-F80 HydrophobicContact CG2-CE1 3.84Å; V72-F80 HydrophobicContact CG2-CE2 3.91Å; V72-F80 HydrophobicContact CG2-CG 3.86Å; V72-F80 HydrophobicContact CG2-CZ 3.89Å; D76-F80 WeakPolarHBondContact O-CB 3.37Å; D76-F80 PolarHBondContact O-N 3.39Å; M77-F80 PolarHBondContact O-N 3.08Å; F80-Q82 PolarHBondContact O-N 3.26Å; F80-A83 PolarHBondContact O-N 3.21Å; F80-Y84 HydrophobicContact CE1-CD2 4.33Å; F80-Y84 HydrophobicContact CE1-CG 4.02Å; F80-Y84 HydrophobicContact CZ-CD2 4.47Å; F80-Y84 WeakPolarHBondContact O-CB 3.4Å; F80-Y84 PolarHBondContact O-N 3.41Å
81N96.4Very high96.3Very high82 Ų8272.2 Ų72.244%0.43936%0.361SS..Hα-helixtrans-63.9-39.2-177.5-176.349.7000112.7M77 N78 R79 S85M77-N81 WeakPolarHBondContact O-CB 3.23Å; M77-N81 PolarHBondContact O-N 3.19Å; N78-N81 PolarHBondContact O-N 2.98Å; R79-N81 VanDerWaalsContact C-N 3.35Å; R79-N81 PolarHBondContact O-N 2.86Å; N81-S85 WeakPolarHBondContact O-CB 3.25Å; N81-S85 PolarHBondContact O-N 3.32Å; N81-S85 PolarHBondContact O-OG 3.13Å; N81-S85 PolarHBondContact OD1-OG 3.22Å
82Q97.4Very high96.2Very high132 Ų13275.5 Ų75.562%0.61738%0.378SS*.Hα-helixtrans-62-50.8175.8-71.8175.68.200111.3N78 R79 F80 S85 N86N78-Q82 WeakPolarHBondContact O-CG 3.35Å; N78-Q82 PolarHBondContact O-N 3.37Å; R79-Q82 PolarHBondContact O-N 3.11Å; F80-Q82 PolarHBondContact O-N 3.26Å; Q82-S85 PolarHBondContact O-N 3.04Å; Q82-N86 VanDerWaalsContact O-CG 3.28Å; Q82-N86 PolarHBondContact O-N 3.23Å; Q82-N86 VanDerWaalsContact O-N 3.11Å; Q82-N86 PolarHBondContact O-ND2 3.15Å
83A97.8Very high96Very high43 Ų4380.3 Ų80.336%0.35540%0.403SS..Hα-helixtrans-65.3-44.7179.700000111.9L9 R79 F80 N86 L87L9-A83 HydrophobicContact CD1-CB 3.63Å; R79-A83 PolarHBondContact O-N 3.24Å; F80-A83 PolarHBondContact O-N 3.21Å; A83-N86 PolarHBondContact O-N 2.93Å; A83-L87 WeakPolarHBondContact O-CB 3.49Å; A83-L87 PolarHBondContact O-N 3.32Å
84Y98Very high95.8Very high39 Ų3980.9 Ų80.915%0.15343%0.427CS..Hα-helixtrans-61.1-46176.9179.8-114.2000112L9 L12 L59 F80 N86 L87 L88L9-Y84 HydrophobicContact CD2-CD2 4.21Å; L12-Y84 HydrophobicContact CD2-CD2 4.03Å; L12-Y84 HydrophobicContact CD2-CE2 3.78Å; L59-Y84 HydrophobicContact CD2-CE2 4.38Å; F80-Y84 HydrophobicContact CE1-CD2 4.33Å; F80-Y84 HydrophobicContact CE1-CG 4.02Å; F80-Y84 HydrophobicContact CZ-CD2 4.47Å; F80-Y84 WeakPolarHBondContact O-CB 3.4Å; F80-Y84 PolarHBondContact O-N 3.41Å; Y84-N86 PolarHBondContact O-N 3.37Å; Y84-L87 WeakPolarHBondContact O-CB 3.38Å; Y84-L87 PolarHBondContact O-N 2.96Å; Y84-L88 HydrophobicContact CD1-CD1 4.12Å; Y84-L88 HydrophobicContact CD2-CG 4.44Å; Y84-L88 HydrophobicContact CE1-CD1 3.53Å; Y84-L88 HydrophobicContact CE1-CG 4.19Å; Y84-L88 HydrophobicContact CE2-CD1 4.25Å; Y84-L88 HydrophobicContact CE2-CD2 4Å; Y84-L88 HydrophobicContact CE2-CG 4.09Å; Y84-L88 WeakPolarHBondContact O-CG 3.27Å; Y84-L88 PolarHBondContact O-N 3.25Å
85S97.6Very high95.7Very high36 Ų3681.7 Ų81.725%0.25243%0.434SS..Hα-helixtrans-61.1-42.9178.2-67.40000112.3N81 Q82 L88 K89N81-S85 WeakPolarHBondContact O-CB 3.25Å; N81-S85 PolarHBondContact O-N 3.32Å; N81-S85 PolarHBondContact O-OG 3.13Å; N81-S85 PolarHBondContact OD1-OG 3.22Å; Q82-S85 PolarHBondContact O-N 3.04Å; S85-L88 PolarHBondContact O-N 3.45Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.43Å; S85-K89 PolarHBondContact O-N 2.81Å; S85-K89 VanDerWaalsContact O-N 3.08Å
86N97.4Very high95.6Very high102 Ų10283.5 Ų83.555%0.54544%0.442SS..Hα-helixtrans-66.4-41.6177.6-70.1-16.7000111.4Q82 A83 Y84 K89 A90Q82-N86 VanDerWaalsContact O-CG 3.28Å; Q82-N86 PolarHBondContact O-N 3.23Å; Q82-N86 VanDerWaalsContact O-N 3.11Å; Q82-N86 PolarHBondContact O-ND2 3.15Å; A83-N86 PolarHBondContact O-N 2.93Å; Y84-N86 PolarHBondContact O-N 3.37Å; N86-K89 PolarHBondContact O-N 3.46Å; N86-A90 WeakPolarHBondContact O-CB 3.12Å; N86-A90 PolarHBondContact O-N 3.2Å
87L97.2Very high95.2Very high20 Ų2090.1 Ų90.111%0.10547%0.468CS..Hα-helixtrans-59.5-48175.4-174.8160.4000111.3L9 L12 H13 F16 A83 Y84 K89 A90 N91L9-L87 HydrophobicContact CB-CD1 4.36Å; L9-L87 HydrophobicContact CD2-CD1 4.19Å; L9-L87 VanDerWaalsContact O-CD1 3.27Å; L9-L87 WeakPolarHBondContact O-CD1 3.32Å; L12-L87 HydrophobicContact CB-CD1 4.4Å; L12-L87 HydrophobicContact CD2-CD1 4.32Å; L12-L87 HydrophobicContact CD2-CD2 3.86Å; L12-L87 HydrophobicContact CG-CD1 4.44Å; L12-L87 HydrophobicContact CG-CD2 3.98Å; H13-L87 HydrophobicContact CB-CD1 4.1Å; F16-L87 HydrophobicContact CD2-CD2 3.49Å; F16-L87 VanDerWaalsContact CD2-CD2 3.49Å; F16-L87 HydrophobicContact CE2-CD2 3.33Å; F16-L87 HydrophobicContact CZ-CD2 4.42Å; A83-L87 WeakPolarHBondContact O-CB 3.49Å; A83-L87 PolarHBondContact O-N 3.32Å; Y84-L87 WeakPolarHBondContact O-CB 3.38Å; Y84-L87 PolarHBondContact O-N 2.96Å; L87-K89 PolarHBondContact O-N 3.41Å; L87-A90 PolarHBondContact O-N 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.34Å; L87-N91 PolarHBondContact O-N 3.02Å; L87-N91 PolarHBondContact O-ND2 2.87Å
88L97Very high94.7Very high38 Ų3896.3 Ų96.320%0.19949%0.488CS..Hα-helixtrans-60.3-48.1177.7-68.7-175.7000111.9F16 I27 Y84 S85 A90 N91 I92F16-L88 HydrophobicContact CE2-CD2 4Å; F16-L88 HydrophobicContact CZ-CD2 3.66Å; I27-L88 HydrophobicContact CD1-CD2 4.12Å; Y84-L88 HydrophobicContact CD1-CD1 4.12Å; Y84-L88 HydrophobicContact CD2-CG 4.44Å; Y84-L88 HydrophobicContact CE1-CD1 3.53Å; Y84-L88 HydrophobicContact CE1-CG 4.19Å; Y84-L88 HydrophobicContact CE2-CD1 4.25Å; Y84-L88 HydrophobicContact CE2-CD2 4Å; Y84-L88 HydrophobicContact CE2-CG 4.09Å; Y84-L88 WeakPolarHBondContact O-CG 3.27Å; Y84-L88 PolarHBondContact O-N 3.25Å; S85-L88 PolarHBondContact O-N 3.45Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.47Å; L88-N91 PolarHBondContact O-N 2.77Å; L88-I92 HydrophobicContact CB-CD1 4.24Å; L88-I92 HydrophobicContact CD2-CD1 4.2Å; L88-I92 WeakPolarHBondContact O-CB 3.41Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.21Å
89K95.7Very high93.9Very high160 Ų16096.3 Ų96.370%0.69649%0.488SS*.Hα-helixtrans-60.1-37.9179.8-72.8172.5-173.3172.20112.5S85 N86 L87S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.43Å; S85-K89 PolarHBondContact O-N 2.81Å; S85-K89 VanDerWaalsContact O-N 3.08Å; N86-K89 PolarHBondContact O-N 3.46Å; L87-K89 PolarHBondContact O-N 3.41Å
90A96.3Very high92.7Very high66 Ų6697 Ų9755%0.54550%0.496SS..Hα-helixtrans-73.9-24.8-179.700000113.5N86 L87 L88N86-A90 WeakPolarHBondContact O-CB 3.12Å; N86-A90 PolarHBondContact O-N 3.2Å; L87-A90 PolarHBondContact O-N 3.27Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.47Å
91N96Very high91.2Very high12 Ų12108.1 Ų108.16%0.06454%0.538CS..Hα-helixtrans-109.7-18.1-171.5-71.2-82.8000114.7F16 L87 L88 D93F16-N91 HydrophobicContact CB-CB 3.75Å; F16-N91 WeakPolarHBondContact CB-OD1 3.22Å; F16-N91 HydrophobicContact CD1-CB 3.5Å; F16-N91 HydrophobicContact CD2-CB 3.99Å; F16-N91 HydrophobicContact CE1-CB 4.03Å; F16-N91 HydrophobicContact CE2-CB 4.47Å; F16-N91 HydrophobicContact CG-CB 3.48Å; F16-N91 VanDerWaalsContact CG-CB 3.48Å; F16-N91 HydrophobicContact CZ-CB 4.48Å; L87-N91 WeakPolarHBondContact O-CB 3.34Å; L87-N91 PolarHBondContact O-N 3.02Å; L87-N91 PolarHBondContact O-ND2 2.87Å; L88-N91 PolarHBondContact O-N 2.77Å; N91-D93 VanDerWaalsContact C-N 3.25Å; N91-D93 PolarHBondContact O-N 3.05Å
92I94.5Very high89.4Confident91 Ų91107.6 Ų107.647%0.46754%0.538SS..  trans-93.760.9174.5-53.4173.1000108.6F16 L88 L95F16-I92 HydrophobicContact CE1-CG1 4Å; F16-I92 HydrophobicContact CZ-CG1 4.42Å; L88-I92 HydrophobicContact CB-CD1 4.24Å; L88-I92 HydrophobicContact CD2-CD1 4.2Å; L88-I92 WeakPolarHBondContact O-CB 3.41Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.21Å; I92-L95 HydrophobicContact CG2-CD1 4.02Å; I92-L95 HydrophobicContact CG2-CG 4.34Å
93D92.9Very high87.5Confident101 Ų101109.4 Ų109.454%0.5454%0.544SS..  trans-99.1-16.3-174.957.1-9.2000113.4K20 N91 L95K20-D93 IonicContact NZ-OD1 3.32Å; K20-D93 IonicContact NZ-OD2 3.87Å; K20-D93 PolarHBondContact NZ-OD2 2.83Å; K20-D93 VanDerWaalsContact NZ-OD2 3.09Å; N91-D93 VanDerWaalsContact C-N 3.25Å; N91-D93 PolarHBondContact O-N 3.05Å; D93-L95 PolarHBondContact O-N 3.02Å; D93-L95 VanDerWaalsContact O-N 3.16Å
94G90.4Very high85.3Confident77 Ų77112.9 Ų112.979%0.79457%0.565SS**  trans-77.111.5-176.500000116.8
95L91.5Very high83.1Confident133 Ų133115.8 Ų115.870%0.69659%0.587SS**SBendtrans-85.8147.8179.2-63.6177.8000111.6I92 D93 K97I92-L95 HydrophobicContact CG2-CD1 4.02Å; I92-L95 HydrophobicContact CG2-CG 4.34Å; D93-L95 PolarHBondContact O-N 3.02Å; D93-L95 VanDerWaalsContact O-N 3.16Å; L95-K97 PolarHBondContact O-N 3.39Å
96K91.3Very high81Confident209 Ų209118.6 Ų118.691%0.90960%0.599SS**PPolyproline II helixtrans-56.5131.7174.4-69.2-172178.3-174.50110.2R98K96-R98 PolarHBondContact O-N 2.94Å
97K87.3Confident79.1Confident197 Ų197120.1 Ų120.186%0.85761%0.606SS**PPolyproline II helixtrans-59.9139.3173.4-66-177.1-179177.50109.2L95 D99L95-K97 PolarHBondContact O-N 3.39Å; K97-D99 PolarHBondContact O-N 3.43Å
98R83.5Confident76.7Confident179 Ų179123.4 Ų123.468%0.67563%0.631SS**PPolyproline II helixtrans-65.6120.3177.7-175173.7-179158.9-0.8109.8K96 K100K96-R98 PolarHBondContact O-N 2.94Å; R98-K100 PolarHBondContact O-N 3.07Å
99D79.6Confident74.4Confident122 Ų122124.9 Ų124.965%0.65264%0.644SS**PPolyproline II helixtrans-63.5122172.4-77.2-48000110.6K97 R101 V102K97-D99 PolarHBondContact O-N 3.43Å; D99-R101 PolarHBondContact O-N 3.17Å; D99-R101 VanDerWaalsContact O-N 3.1Å; D99-V102 HydrophobicContact CB-CG2 4.46Å; D99-V102 PolarHBondContact O-N 2.76Å
100K72.1Confident72.2Confident187 Ų187126.5 Ų126.581%0.81365%0.651SS**THydrogen-bonded Turntrans-65.9-11.4-179.8-66.7-177.7-179.5179.90113.3R98R98-K100 PolarHBondContact O-N 3.07Å
101R64.5Low70.1Confident244 Ų244130.7 Ų130.792%0.92166%0.664SS**THydrogen-bonded Turntrans-85.6-14.6-176.3-59.9-173.8-171.5-156.92.3114.4D99 K103D99-R101 PolarHBondContact O-N 3.17Å; D99-R101 VanDerWaalsContact O-N 3.1Å; R101-K103 PolarHBondContact O-N 3.38Å
102V60.5Low67.5Low72 Ų72136.6 Ų136.644%0.43670%0.695SS.*  trans-104.253.1-177.2-1660000111D99D99-V102 HydrophobicContact CB-CG2 4.46Å; D99-V102 PolarHBondContact O-N 2.76Å
103K56.4Low65.2Low170 Ų170143.2 Ų143.274%0.73971%0.714SS**SBendtrans-91.30.7-173.7-97.3-172.7176.5-173.40115.9R101R101-K103 PolarHBondContact O-N 3.38Å
104S52.1Low63Low116 Ų116143.3 Ų143.381%0.81172%0.72SS**SBendtrans-138.1-6.2-178.7700000119.2
105T51.7Low61Low99 Ų99149.7 Ų149.761%0.60773%0.726SS**SBendtrans-120.8-5.7-164.533.30000118.6
106N53.5Low59.1Low95 Ų95149.4 Ų149.451%0.50873%0.73SS.*SBendtrans-132.89.3-168.5-79.6-45.5000117.7S109N106-S109 PolarHBondContact OD1-OG 3.11Å
107I56.1Low56.8Low134 Ų134148.5 Ų148.569%0.68773%0.729SS**SBendtrans-87.4-24.8177.7-67.3169.4000112.2
108S47.8Very low55.1Low90 Ų90148.9 Ų148.963%0.62973%0.731SS**SBendtrans-86.7-21.2175.565.80000114.1
109S48.4Very low53.4Low69 Ų69147.9 Ų147.948%0.48378%0.776SS.*THydrogen-bonded Turntrans-84.6-16.1-171.356.10000115N106N106-S109 PolarHBondContact OD1-OG 3.11Å
110K50.1Low52Low193 Ų193149.2 Ų149.284%0.83978%0.782SS**THydrogen-bonded Turntrans-100.5-5.2177.4-73.4-172.4178.5-179.40114.9
111L51.1Low51Low154 Ų154147.2 Ų147.281%0.80678%0.781SS**THydrogen-bonded Turntrans-107.3-6.4-179.4-149.370.9000113.8R113L111-R113 PolarHBondContact O-N 3.31Å
112N41.4Very low50.2Low136 Ų136141.8 Ų141.873%0.72777%0.773SS**  trans-86.882.8172.9-81.6-16.5000110.8P114N112-P114 WeakPolarHBondContact O-CD 3.38Å
113R47.1Very low49.6Very low231 Ų231145.9 Ų145.987%0.87279%0.793SS**  trans-76.1115.8163.5-174.9174.3172.9-177.4-2.7107.7L111 K115L111-R113 PolarHBondContact O-N 3.31Å; R113-K115 PolarHBondContact O-N 3.34Å
114P47.4Very low49.2Very low102 Ų102144.4 Ų144.466%0.66280%0.796SS**  trans-64.512517624.7-30.1000108.9N112 T116N112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-T116 PolarHBondContact O-N 3.12Å; P114-T116 VanDerWaalsContact O-N 3.08Å
115K47.7Very low49Very low212 Ų212146.3 Ų146.392%0.92280%0.795SS**  trans-65.6103.2162.9-70.4-176.9179.5177.60106.3R113R113-K115 PolarHBondContact O-N 3.34Å
116T52.3Low48.8Very low126 Ų126149.7 Ų149.777%0.77381%0.809SS**  trans-89.2108.8164.621.30000106.9P114P114-T116 PolarHBondContact O-N 3.12Å; P114-T116 VanDerWaalsContact O-N 3.08Å
117E41.8Very low48.5Very low190 Ų190153.9 Ų153.989%0.88883%0.832SS**  trans-53.7139156.7-75.8178.9139.200109.2
118K52.6Low47.8Very low206 Ų206155.6 Ų155.690%0.89684%0.844SS**  trans-136.2119161.6-93.3-163.5173.7-171.90107.4
119G46.3Very low47.8Very low158 Ų158161.5 Ų161.5100%1.62986%0.863SS**  trans79.60151.100000115.7

Retrieved 119 of 119 residues in 36.1 ms (Link to these results)