A0A3Q0KGC4_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.1Low77.4Confident209 Ų209110 Ų110100%1.0362%0.621SS**  0-6.10-57.2-161.9-91.400113.4
2T62.3Low78.6Confident123 Ų123111.8 Ų111.876%0.75562%0.618SS**  trans-88.8-15.2-17744.90000114.9
3T64.1Low79.8Confident103 Ų103105.4 Ų105.463%0.63259%0.593SS**Hα-helixtrans-81.7-24.5-174.443.70000114.1I5 A6T3-I5 VanDerWaalsContact C-N 3.34Å; T3-I5 PolarHBondContact O-N 3.13Å; T3-A6 PolarHBondContact O-N 2.72Å
4E72.1Confident80.9Confident159 Ų159103.4 Ų103.474%0.74359%0.587SS**Hα-helixtrans-73-26.3-175.5-66.3175.8177.600113P8E4-P8 WeakPolarHBondContact O-CD 3.43Å
5I77.1Confident81.8Confident114 Ų114100.4 Ų100.459%0.58558%0.581SS**Hα-helixtrans-88.7-22.6179-54.6166.7000111T3 P8 L9T3-I5 VanDerWaalsContact C-N 3.34Å; T3-I5 PolarHBondContact O-N 3.13Å; I5-P8 WeakPolarHBondContact O-CD 3.31Å; I5-P8 WeakPolarHBondContact O-CG 3.47Å; I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.2Å
6A78.4Confident82.6Confident39 Ų3999.1 Ų99.132%0.32257%0.57SS.*Hα-helixtrans-67-43.4-176.500000112.3T3 L9 I10T3-A6 PolarHBondContact O-N 2.72Å; A6-L9 PolarHBondContact O-N 3.04Å; A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 VanDerWaalsContact O-CG1 3.23Å; A6-I10 WeakPolarHBondContact O-CG1 3.48Å; A6-I10 PolarHBondContact O-N 3.16Å
7T81.8Confident83.4Confident100 Ų100100.3 Ų100.361%0.61357%0.573SS**Hα-helixtrans-60.1-50.8-177.6-51.10000113.9L9 I10 A11T7-L9 VanDerWaalsContact C-N 3.32Å; T7-L9 PolarHBondContact O-N 2.7Å; T7-I10 PolarHBondContact O-N 3.04Å; T7-A11 WeakPolarHBondContact O-CB 3.49Å; T7-A11 PolarHBondContact O-N 3Å
8P88.1Confident84.1Confident74 Ų74100 Ų10048%0.48157%0.573SS.*Hα-helixtrans-66.2-33.4178.125.3-34.3000112.6E4 I5 A11 F12E4-P8 WeakPolarHBondContact O-CD 3.43Å; I5-P8 WeakPolarHBondContact O-CD 3.31Å; I5-P8 WeakPolarHBondContact O-CG 3.47Å; P8-A11 PolarHBondContact O-N 3.48Å; P8-F12 VanDerWaalsContact O-CB 3.27Å; P8-F12 WeakPolarHBondContact O-CB 3.4Å; P8-F12 PolarHBondContact O-N 2.86Å
9L89.2Confident84.6Confident110 Ų110101.1 Ų101.158%0.57657%0.571SS**Hα-helixtrans-65.4-42.5175.7-74.6175.3000112.1I5 A6 T7 F12 G13I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CG 3.41Å; I5-L9 PolarHBondContact O-N 3.2Å; A6-L9 PolarHBondContact O-N 3.04Å; T7-L9 VanDerWaalsContact C-N 3.32Å; T7-L9 PolarHBondContact O-N 2.7Å; L9-F12 PolarHBondContact O-N 3Å; L9-G13 PolarHBondContact O-N 3.18Å
10I90.7Very high85.2Confident121 Ų121101.8 Ų101.862%0.62157%0.572SS**Hα-helixtrans-65.6-43.5176.4-66.9161.7000110.3A6 T7 G13 C14A6-I10 WeakPolarHBondContact O-CD1 3.44Å; A6-I10 VanDerWaalsContact O-CG1 3.23Å; A6-I10 WeakPolarHBondContact O-CG1 3.48Å; A6-I10 PolarHBondContact O-N 3.16Å; T7-I10 PolarHBondContact O-N 3.04Å; I10-G13 PolarHBondContact O-N 3.28Å; I10-C14 WeakPolarHBondContact O-CB 3.16Å; I10-C14 PolarHBondContact O-N 3.33Å
11A91Very high85.6Confident58 Ų58103.7 Ų103.748%0.47958%0.575SS.*Hα-helixtrans-62.2-44.5177.400000111.9T7 P8 C14 A15T7-A11 WeakPolarHBondContact O-CB 3.49Å; T7-A11 PolarHBondContact O-N 3Å; P8-A11 PolarHBondContact O-N 3.48Å; A11-C14 PolarHBondContact O-N 2.83Å; A11-A15 PolarHBondContact O-N 2.86Å
12F92.4Very high87.5Confident132 Ų13299.6 Ų99.658%0.57955%0.551SS**Hα-helixtrans-64.1-44.1176.2-176.7-105.5000111.8P8 L9 C14 A15 L16P8-F12 VanDerWaalsContact O-CB 3.27Å; P8-F12 WeakPolarHBondContact O-CB 3.4Å; P8-F12 PolarHBondContact O-N 2.86Å; L9-F12 PolarHBondContact O-N 3Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.39Å; F12-A15 PolarHBondContact O-N 3.09Å; F12-L16 HydrophobicContact CD1-CD1 3.9Å; F12-L16 HydrophobicContact CD1-CG 4.37Å; F12-L16 HydrophobicContact CE1-CD1 3.39Å; F12-L16 HydrophobicContact CE1-CG 4.04Å; F12-L16 HydrophobicContact CZ-CD1 3.84Å; F12-L16 HydrophobicContact CZ-CD2 4.21Å; F12-L16 HydrophobicContact CZ-CG 4.12Å; F12-L16 WeakPolarHBondContact O-CG 3.32Å; F12-L16 PolarHBondContact O-N 2.86Å
13G93.9Very high89Confident28 Ų2897 Ų9729%0.28953%0.532SS..Hα-helixtrans-60.1-42.7174.900000112.4L9 I10 L16 I17L9-G13 PolarHBondContact O-N 3.18Å; I10-G13 PolarHBondContact O-N 3.28Å; G13-L16 PolarHBondContact O-N 2.88Å; G13-I17 WeakPolarHBondContact O-CD1 3.44Å; G13-I17 VanDerWaalsContact O-CG1 3.27Å; G13-I17 WeakPolarHBondContact O-CG1 3.42Å; G13-I17 PolarHBondContact O-N 2.91Å
14C95.1Very high90.4Very high77 Ų7798.6 Ų98.652%0.5253%0.531SS..Hα-helixtrans-61.7-45.9175.8-170.20000111.5I10 A11 F12 L16 I17 V18I10-C14 WeakPolarHBondContact O-CB 3.16Å; I10-C14 PolarHBondContact O-N 3.33Å; A11-C14 PolarHBondContact O-N 2.83Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.39Å; C14-L16 VanDerWaalsContact C-N 3.34Å; C14-L16 PolarHBondContact O-N 2.92Å; C14-I17 PolarHBondContact O-N 3.17Å; C14-V18 WeakPolarHBondContact O-CG2 3.47Å; C14-V18 PolarHBondContact O-N 3.09Å
15A94.3Very high91.4Very high59 Ų5993.6 Ų93.649%0.48851%0.513SS..Hα-helixtrans-60.9-41.6177.400000112.4A11 F12 V18 F19A11-A15 PolarHBondContact O-N 2.86Å; F12-A15 PolarHBondContact O-N 3.09Å; A15-V18 PolarHBondContact O-N 2.92Å; A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 2.66Å
16L95.7Very high92.1Very high79 Ų7992.6 Ų92.641%0.41451%0.508SS..Hα-helixtrans-64.2-41.5176.3-71.8-177.8000112.5F12 G13 C14 F19 L20F12-L16 HydrophobicContact CD1-CD1 3.9Å; F12-L16 HydrophobicContact CD1-CG 4.37Å; F12-L16 HydrophobicContact CE1-CD1 3.39Å; F12-L16 HydrophobicContact CE1-CG 4.04Å; F12-L16 HydrophobicContact CZ-CD1 3.84Å; F12-L16 HydrophobicContact CZ-CD2 4.21Å; F12-L16 HydrophobicContact CZ-CG 4.12Å; F12-L16 WeakPolarHBondContact O-CG 3.32Å; F12-L16 PolarHBondContact O-N 2.86Å; G13-L16 PolarHBondContact O-N 2.88Å; C14-L16 VanDerWaalsContact C-N 3.34Å; C14-L16 PolarHBondContact O-N 2.92Å; L16-F19 PolarHBondContact O-N 2.75Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.21Å; L16-L20 PolarHBondContact O-N 3.13Å
17I95.3Very high92.8Very high120 Ų12094.2 Ų94.262%0.61551%0.514SS*.Hα-helixtrans-63.2-45.9178.6-68163.6000110.5G13 C14 F19 L20 F21G13-I17 WeakPolarHBondContact O-CD1 3.44Å; G13-I17 VanDerWaalsContact O-CG1 3.27Å; G13-I17 WeakPolarHBondContact O-CG1 3.42Å; G13-I17 PolarHBondContact O-N 2.91Å; C14-I17 PolarHBondContact O-N 3.17Å; I17-F19 VanDerWaalsContact C-N 3.34Å; I17-F19 PolarHBondContact O-N 2.73Å; I17-L20 PolarHBondContact O-N 3.34Å; I17-F21 PolarHBondContact O-N 3.37Å
18V95.5Very high93.1Very high95 Ų9591.6 Ų91.658%0.57650%0.499SS*.Hα-helixtrans-63-42.2177.5175.60000111C14 A15 F21 F22C14-V18 WeakPolarHBondContact O-CG2 3.47Å; C14-V18 PolarHBondContact O-N 3.09Å; A15-V18 PolarHBondContact O-N 2.92Å; V18-F21 PolarHBondContact O-N 3.32Å; V18-F22 PolarHBondContact O-N 2.93Å
19F94.9Very high93Very high121 Ų12194 Ų9453%0.53150%0.504SS..Hα-helixtrans-61.9-45.5176.8-178.4-100.2000112.3A15 L16 I17 F21 F22 I23A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 2.66Å; L16-F19 PolarHBondContact O-N 2.75Å; I17-F19 VanDerWaalsContact C-N 3.34Å; I17-F19 PolarHBondContact O-N 2.73Å; F19-F21 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.48Å; F19-F22 WeakPolarHBondContact O-CB 3.43Å; F19-F22 PolarHBondContact O-N 3.2Å; F19-I23 HydrophobicContact CD1-CG1 4.34Å; F19-I23 HydrophobicContact CE1-CD1 4.42Å; F19-I23 HydrophobicContact CE1-CG1 3.95Å; F19-I23 HydrophobicContact CE2-CD1 4.48Å; F19-I23 HydrophobicContact CZ-CD1 4.07Å; F19-I23 HydrophobicContact CZ-CG1 4.08Å; F19-I23 WeakPolarHBondContact O-CG1 3.2Å; F19-I23 PolarHBondContact O-N 2.83Å
20L95.1Very high92.7Very high115 Ų11595.8 Ų95.860%0.60251%0.509SS*.Hα-helixtrans-62.8-39.8177-72.6174.1000112.2L16 I17 F22 I23 F24L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.21Å; L16-L20 PolarHBondContact O-N 3.13Å; I17-L20 PolarHBondContact O-N 3.34Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.17Å; L20-I23 PolarHBondContact O-N 2.83Å; L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 3.1Å
21F95.3Very high92.1Very high142 Ų14294.5 Ų94.562%0.62350%0.502SS*.Hα-helixtrans-61.7-42.1175.4-169.9-99000111.4I17 V18 F19 F24 C25I17-F21 PolarHBondContact O-N 3.37Å; V18-F21 PolarHBondContact O-N 3.32Å; F19-F21 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.48Å; F21-F24 PolarHBondContact O-N 3.27Å; F21-C25 VanDerWaalsContact CE1-SG 3.51Å; F21-C25 PolarHBondContact O-N 2.98Å; F21-C25 PolarHBondContact O-SG 2.77Å
22F94.8Very high91Very high122 Ų12298.2 Ų98.254%0.53551%0.513SS..Hα-helixtrans-61.9-45.6176.4-171.6-102.4000112.4V18 F19 L20 F24 C25 L26V18-F22 PolarHBondContact O-N 2.93Å; F19-F22 WeakPolarHBondContact O-CB 3.43Å; F19-F22 PolarHBondContact O-N 3.2Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.17Å; F22-F24 VanDerWaalsContact C-N 3.35Å; F22-F24 PolarHBondContact O-N 2.92Å; F22-C25 PolarHBondContact O-N 3.32Å; F22-L26 HydrophobicContact CD1-CD1 3.85Å; F22-L26 HydrophobicContact CD1-CG 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.46Å; F22-L26 VanDerWaalsContact CE1-CD1 3.46Å; F22-L26 HydrophobicContact CE1-CG 4.03Å; F22-L26 HydrophobicContact CZ-CD1 4.14Å; F22-L26 HydrophobicContact CZ-CD2 4.39Å; F22-L26 HydrophobicContact CZ-CG 4.34Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.63Å
23I94.4Very high89.6Confident70 Ų7095.3 Ų95.336%0.35951%0.509SS..Hα-helixtrans-61.4-43.9175.3-62.2-60.8000111F19 L20 C25 L26 V27F19-I23 HydrophobicContact CD1-CG1 4.34Å; F19-I23 HydrophobicContact CE1-CD1 4.42Å; F19-I23 HydrophobicContact CE1-CG1 3.95Å; F19-I23 HydrophobicContact CE2-CD1 4.48Å; F19-I23 HydrophobicContact CZ-CD1 4.07Å; F19-I23 HydrophobicContact CZ-CG1 4.08Å; F19-I23 WeakPolarHBondContact O-CG1 3.2Å; F19-I23 PolarHBondContact O-N 2.83Å; L20-I23 PolarHBondContact O-N 2.83Å; I23-C25 VanDerWaalsContact C-N 3.33Å; I23-C25 PolarHBondContact O-N 2.89Å; I23-L26 PolarHBondContact O-N 2.94Å; I23-V27 HydrophobicContact CG2-CG2 4.28Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.23Å; I23-V27 PolarHBondContact O-N 3.41Å
24F94.2Very high88Confident136 Ų13696.7 Ų96.760%0.59652%0.523SS*.Hα-helixtrans-61.6-41.3177.1-178-97.5000112L20 F21 F22 V27 S28L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 3.1Å; F21-F24 PolarHBondContact O-N 3.27Å; F22-F24 VanDerWaalsContact C-N 3.35Å; F22-F24 PolarHBondContact O-N 2.92Å; F24-V27 PolarHBondContact O-N 2.98Å; F24-S28 WeakPolarHBondContact CE1-OG 3.32Å; F24-S28 VanDerWaalsContact O-CB 3.24Å; F24-S28 WeakPolarHBondContact O-CB 3.22Å; F24-S28 PolarHBondContact O-N 2.97Å; F24-S28 PolarHBondContact O-OG 2.96Å
25C92.5Very high86.1Confident54 Ų5498.9 Ų98.937%0.36553%0.525SS..Hα-helixtrans-62.4-44173.9-72.20000112.1F21 F22 I23 S28 H29F21-C25 VanDerWaalsContact CE1-SG 3.51Å; F21-C25 PolarHBondContact O-N 2.98Å; F21-C25 PolarHBondContact O-SG 2.77Å; F22-C25 PolarHBondContact O-N 3.32Å; I23-C25 VanDerWaalsContact C-N 3.33Å; I23-C25 PolarHBondContact O-N 2.89Å; C25-S28 PolarHBondContact O-N 3.27Å; C25-H29 VanDerWaalsContact O-CB 3.28Å; C25-H29 WeakPolarHBondContact O-CB 3.19Å; C25-H29 PolarHBondContact O-N 3.27Å
26L91.6Very high84Confident92 Ų92100.8 Ų100.848%0.48254%0.535SS..Hα-helixtrans-63.3-45.8177.4-72.7-179000112F22 I23 H29 H30F22-L26 HydrophobicContact CD1-CD1 3.85Å; F22-L26 HydrophobicContact CD1-CG 4.29Å; F22-L26 HydrophobicContact CE1-CD1 3.46Å; F22-L26 VanDerWaalsContact CE1-CD1 3.46Å; F22-L26 HydrophobicContact CE1-CG 4.03Å; F22-L26 HydrophobicContact CZ-CD1 4.14Å; F22-L26 HydrophobicContact CZ-CD2 4.39Å; F22-L26 HydrophobicContact CZ-CG 4.34Å; F22-L26 WeakPolarHBondContact O-CG 3.31Å; F22-L26 PolarHBondContact O-N 2.63Å; I23-L26 PolarHBondContact O-N 2.94Å; L26-H29 PolarHBondContact O-N 3.44Å; L26-H30 VanDerWaalsContact O-CB 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.24Å; L26-H30 PolarHBondContact O-N 2.94Å
27V91.9Very high81.8Confident73 Ų73106.1 Ų106.144%0.44256%0.555SS.*Hα-helixtrans-64.1-44.2177.4172.60000110.5I23 F24 H29 H30 I31I23-V27 HydrophobicContact CG2-CG2 4.28Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.23Å; I23-V27 PolarHBondContact O-N 3.41Å; F24-V27 PolarHBondContact O-N 2.98Å; V27-H29 PolarHBondContact O-N 3.43Å; V27-H30 PolarHBondContact O-N 3.24Å; V27-I31 HydrophobicContact CG1-CD1 3.6Å; V27-I31 HydrophobicContact CG1-CG1 4.32Å; V27-I31 WeakPolarHBondContact O-CB 3.44Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.04Å
28S88.8Confident79.4Confident45 Ų45107.4 Ų107.432%0.31556%0.558SS.*Hα-helixtrans-62.6-44177.6-600000111.4F24 C25 I31 L32F24-S28 WeakPolarHBondContact CE1-OG 3.32Å; F24-S28 VanDerWaalsContact O-CB 3.24Å; F24-S28 WeakPolarHBondContact O-CB 3.22Å; F24-S28 PolarHBondContact O-N 2.97Å; F24-S28 PolarHBondContact O-OG 2.96Å; C25-S28 PolarHBondContact O-N 3.27Å; S28-I31 PolarHBondContact O-N 3.04Å; S28-L32 WeakPolarHBondContact O-CB 3.47Å; S28-L32 PolarHBondContact O-N 3.05Å
29H85.9Confident77Confident126 Ų126108 Ų10858%0.58356%0.564SS**Hα-helixtrans-63.8-43.1176.3-173.3-86.6000111.4C25 L26 V27 I31 L32 C33C25-H29 VanDerWaalsContact O-CB 3.28Å; C25-H29 WeakPolarHBondContact O-CB 3.19Å; C25-H29 PolarHBondContact O-N 3.27Å; L26-H29 PolarHBondContact O-N 3.44Å; V27-H29 PolarHBondContact O-N 3.43Å; H29-I31 PolarHBondContact O-N 2.91Å; H29-L32 PolarHBondContact O-N 2.84Å; H29-C33 PolarHBondContact CE1-SG 2.84Å; H29-C33 VanDerWaalsContact O-CB 3.23Å; H29-C33 WeakPolarHBondContact O-CB 3.28Å; H29-C33 PolarHBondContact O-N 3.49Å; H29-C33 PolarHBondContact O-SG 2.87Å; H29-C33 VanDerWaalsContact O-SG 3.4Å
30H82.3Confident74.4Confident147 Ų147110.9 Ų110.968%0.68158%0.579SS**Hα-helixtrans-61.7-43.5176.4-173.4-83.5000112L26 V27 G34L26-H30 VanDerWaalsContact O-CB 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.24Å; L26-H30 PolarHBondContact O-N 2.94Å; V27-H30 PolarHBondContact O-N 3.24Å; H30-G34 PolarHBondContact O-N 2.86Å
31I78.2Confident72Confident93 Ų93111.9 Ų111.948%0.47759%0.591SS.*Hα-helixtrans-68.3-43.2177.3-65.6167.2000110.7V27 S28 H29 G34 H35V27-I31 HydrophobicContact CG1-CD1 3.6Å; V27-I31 HydrophobicContact CG1-CG1 4.32Å; V27-I31 WeakPolarHBondContact O-CB 3.44Å; V27-I31 VanDerWaalsContact O-CG1 3.22Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.04Å; S28-I31 PolarHBondContact O-N 3.04Å; H29-I31 PolarHBondContact O-N 2.91Å; I31-G34 PolarHBondContact O-N 2.96Å; I31-H35 WeakPolarHBondContact O-CB 3.42Å; I31-H35 PolarHBondContact O-N 2.93Å
32L68.2Low69.5Low136 Ų136114 Ų11471%0.71260%0.6SS**Hα-helixtrans-70.5-41.9-176.8-154.877000111.8S28 H29 G34 H35 S36S28-L32 WeakPolarHBondContact O-CB 3.47Å; S28-L32 PolarHBondContact O-N 3.05Å; H29-L32 PolarHBondContact O-N 2.84Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-H35 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-N 2.73Å
33C63.4Low67Low71 Ų71113.4 Ų113.448%0.4861%0.608SS.*Hα-helixtrans-67.6-31.9171.5-71.10000112H29H29-C33 PolarHBondContact CE1-SG 2.84Å; H29-C33 VanDerWaalsContact O-CB 3.23Å; H29-C33 WeakPolarHBondContact O-CB 3.28Å; H29-C33 PolarHBondContact O-N 3.49Å; H29-C33 PolarHBondContact O-SG 2.87Å; H29-C33 VanDerWaalsContact O-SG 3.4Å
34G59.5Low64.6Low57 Ų57118.7 Ų118.759%0.58863%0.631SS**Hα-helixtrans-70.5-33.2175.100000113.8H30 I31 L32H30-G34 PolarHBondContact O-N 2.86Å; I31-G34 PolarHBondContact O-N 2.96Å; L32-G34 VanDerWaalsContact C-N 3.31Å
35H56Low62.2Low123 Ų123120 Ų12057%0.56964%0.643SS**Hα-helixtrans-91.5-9.9-177.1-99-88.3000115.3I31 L32 K37 Q38I31-H35 WeakPolarHBondContact O-CB 3.42Å; I31-H35 PolarHBondContact O-N 2.93Å; L32-H35 PolarHBondContact O-N 2.87Å; H35-K37 PolarHBondContact O-N 2.83Å; H35-Q38 PolarHBondContact O-N 3.47Å
36S50.1Low59.8Low99 Ų99122.7 Ų122.769%0.69266%0.66SS**THydrogen-bonded Turntrans-70.3-0-177.297.20000114.4L32L32-S36 PolarHBondContact O-N 2.73Å
37K50.7Low57.6Low191 Ų191124.2 Ų124.283%0.8368%0.676SS**THydrogen-bonded Turntrans-99.524.5175.3-65.9-166.8177.8-174.10114.1H35 P39H35-K37 PolarHBondContact O-N 2.83Å; K37-P39 VanDerWaalsContact C-CD 3.4Å; K37-P39 WeakPolarHBondContact O-CD 3.5Å
38Q43.2Very low55.6Low147 Ų147127.1 Ų127.169%0.68769%0.693SS**  trans-111.880176.9-165.4-179.34.700112.3H35H35-Q38 PolarHBondContact O-N 3.47Å
39P45.5Very low53.1Low107 Ų107132.2 Ų132.270%0.69572%0.717SS**  trans-83131.9163.829.7-25.4000110.4K37 T41K37-P39 VanDerWaalsContact C-CD 3.4Å; K37-P39 WeakPolarHBondContact O-CD 3.5Å; P39-T41 PolarHBondContact O-N 2.92Å
40Q41.4Very low51.3Low183 Ų183132.5 Ų132.586%0.85573%0.728SS**  trans-63.8120.8-179.2-63.8-170-21.500112.1
41T44.2Very low49.5Very low136 Ų136131.4 Ų131.483%0.83473%0.727SS**  trans-92.9107.3173.4-48.70000110.6P39P39-T41 PolarHBondContact O-N 2.92Å
42F42Very low48Very low187 Ų187135.3 Ų135.382%0.8274%0.741SS**  trans-80.7143.6161-112.7-94.6000109.4
43P42.2Very low46.9Very low108 Ų108139 Ų13970%0.70175%0.747SS**  trans-95.1125-171.634.7-29.2000112
44Q45.6Very low46.1Very low182 Ų182141 Ų14185%0.8576%0.759SS**  trans-145.3104159.8-70.1-160.918.600108.7
45L42Very low45.4Very low163 Ų163143.2 Ų143.285%0.85377%0.771SS**  75.4142.698-93.9100.7000115.6
46P42.5Very low44.8Very low110 Ų110142.3 Ų142.371%0.71478%0.779SS**PPolyproline II helixtrans-90.1170.1-144.4-3.824.9000115.7
47P47.1Very low44.8Very low125 Ų125142.9 Ų142.981%0.81278%0.78SS**PPolyproline II helixtrans-85.1144.6-158.534.8-34.1000113.9
48V48.4Very low44.5Very low133 Ų133142.2 Ų142.281%0.80678%0.78SS**PPolyproline II helixtrans-102.4117170.8166.10000109.3
49D36.9Very low44.6Very low152 Ų152140.1 Ų140.181%0.81378%0.781SS**PPolyproline II helixtrans-57.9131.3165.8-83.3-49.9000111.5
50T47.4Very low44.5Very low133 Ų133144 Ų14482%0.81679%0.792SS**  trans-152.7112.8150.8-16.90000112.2
51N45.2Very low44.9Very low123 Ų123141.6 Ų141.666%0.65878%0.781SS**  trans-62.2158.5172.4-62.2-83.4000113.3
52F47.6Very low45.3Very low175 Ų175141.6 Ų141.677%0.76877%0.774SS**  trans84.8111.1152.3-59.5-81.4000121
53Y45.1Very low45.9Very low214 Ų214140.8 Ų140.884%0.83977%0.771SS**  163.2156102.1-100.8-86000110.7
54P46.2Very low46.6Very low114 Ų114144.4 Ų144.474%0.7478%0.778SS**  trans-91.2161.3-161.937.1-30.3000114.4
55A45.2Very low47.1Very low102 Ų102144 Ų14484%0.84378%0.776SS**  trans-21130.8177.400000119.4
56S42.5Very low47.6Very low105 Ų105141.5 Ų141.573%0.73477%0.77SS**  trans-113.9125.2154.8167.30000108.4H58S56-H58 PolarHBondContact O-N 3.38Å
57P49.2Very low48Very low110 Ų110144.5 Ų144.571%0.71478%0.779SS**  trans-98.850.3-170.939.3-34.2000112.2
58H45.3Very low47.7Very low177 Ų177146.4 Ų146.482%0.81978%0.777SS**  trans-152.673.6172.5-76.3-41000111.8S56S56-H58 PolarHBondContact O-N 3.38Å
59S45.2Very low47.5Very low103 Ų103145.4 Ų145.472%0.7278%0.775SS**  trans-168.192.5156.8-161.50000109.2H61S59-H61 PolarHBondContact O-N 3.43Å
60M44.1Very low48Very low188 Ų188146.2 Ų146.293%0.92678%0.775SS**  trans-77.263.1165.8-165.7177.5-172.900108.3
61H49.7Very low48Very low134 Ų134148.2 Ų148.262%0.6278%0.775SS**  trans-96.4104.6161.3-170.4-75.4000105S59 K63S59-H61 PolarHBondContact O-N 3.43Å; H61-K63 PolarHBondContact O-N 3.22Å
62I52.7Low48.3Very low135 Ų135150.6 Ų150.669%0.69278%0.783SS**  trans-59.992.6171.3-59.5169.9000105.9E64I62-E64 HydrophobicContact CG2-CG 4.43Å; I62-E64 PolarHBondContact O-N 3.42Å
63K53.4Low48.5Very low171 Ų171149.8 Ų149.874%0.74378%0.781SS**  trans-82106.7160.3-76.6-177.5176.7179.60103.5H61 E65H61-K63 PolarHBondContact O-N 3.22Å; K63-E65 VanDerWaalsContact C-N 3.27Å; K63-E65 PolarHBondContact O-N 2.96Å
64E57Low48.8Very low184 Ų184145.1 Ų145.186%0.8678%0.775SS**  trans-5698.5166.7-67.6-176.4156.200107.3I62I62-E64 HydrophobicContact CG2-CG 4.43Å; I62-E64 PolarHBondContact O-N 3.42Å
65E55.9Low48.8Very low173 Ų173146.7 Ų146.781%0.80877%0.773SS**  trans-82.1117.9173.1-154.3169.7-161.800106K63 L67K63-E65 VanDerWaalsContact C-N 3.27Å; K63-E65 PolarHBondContact O-N 2.96Å; E65-L67 PolarHBondContact O-N 3.02Å
66P52.7Low49.1Very low110 Ų110149.7 Ų149.771%0.71477%0.774SS**  trans-66.6113.7-178.523.8-29.7000108.8Q68P66-Q68 PolarHBondContact O-N 2.88Å
67L50.3Low49.5Very low173 Ų173152.6 Ų152.691%0.90677%0.773SS**  trans-58.9100.8174.7-68.8170.9000109.3E65 C69E65-L67 PolarHBondContact O-N 3.02Å; L67-C69 VanDerWaalsContact C-N 3.33Å; L67-C69 PolarHBondContact O-N 3.49Å
68Q42.5Very low49.7Very low166 Ų166155.1 Ų155.178%0.77678%0.777SS**  trans-73.390.1166.8-72.1-175.95.500108.2P66 M70P66-Q68 PolarHBondContact O-N 2.88Å; Q68-M70 PolarHBondContact O-N 3.35Å
69C44.1Very low50.1Low112 Ų112153.4 Ų153.476%0.75777%0.774SS**  trans-68.6113.6164.3-173.30000108L67 Q71L67-C69 VanDerWaalsContact C-N 3.33Å; L67-C69 PolarHBondContact O-N 3.49Å; C69-Q71 PolarHBondContact O-N 3.15Å
70M46.3Very low50.3Low168 Ų168157.8 Ų157.883%0.82878%0.783SS**  trans-6097.9169.7-76.6-83.9140.600108.9Q68Q68-M70 PolarHBondContact O-N 3.35Å
71Q48.2Very low50.6Low175 Ų175157 Ų15782%0.81878%0.777SS**  trans-90.9102.1168.9-166.4170.52200107.7C69 E73C69-Q71 PolarHBondContact O-N 3.15Å; Q71-E73 PolarHBondContact O-N 2.79Å
72E50.6Low50.6Low174 Ų174155.5 Ų155.581%0.81378%0.782SS**  trans-58.299.6168.4-167.9173.3176.900108.1T74E72-T74 PolarHBondContact O-N 3.25Å
73E51.8Low50.4Low158 Ų158156.6 Ų156.674%0.73880%0.795SS**  trans-66.985169.3-76.2-171.7145.300108.5Q71 Q75Q71-E73 PolarHBondContact O-N 2.79Å; E73-Q75 PolarHBondContact O-N 2.75Å
74T51.3Low50.7Low116 Ų116152 Ų15271%0.71279%0.785SS**  trans-64.986.7151.434.30000107.1E72 L76E72-T74 PolarHBondContact O-N 3.25Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 2.97Å
75Q47.7Very low51Low147 Ų147153.8 Ų153.869%0.68779%0.79SS**  trans-55.197.1163.6-77.2-177.334.900107.7E73 K77E73-Q75 PolarHBondContact O-N 2.75Å; Q75-K77 PolarHBondContact O-N 3.16Å
76L51Low51.5Low164 Ų164149.5 Ų149.586%0.85978%0.775SS**  trans-62.389.5158.2-90.5154.6000106.3T74 M78T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 2.97Å; L76-M78 VanDerWaalsContact C-N 3.3Å; L76-M78 PolarHBondContact O-N 3.42Å
77K51.3Low52.7Low166 Ų166149.1 Ų149.172%0.72277%0.767SS**  trans-54.7101.6160.9-79.6179173.2179.40106.3Q75 D79Q75-K77 PolarHBondContact O-N 3.16Å; K77-D79 PolarHBondContact O-N 3.38Å
78M52.1Low54.4Low163 Ų163146.6 Ų146.680%0.80375%0.754SS**  trans-66.392.5160.3-82.2-166-178.300106.1L76 E80L76-M78 VanDerWaalsContact C-N 3.3Å; L76-M78 PolarHBondContact O-N 3.42Å; M78-E80 VanDerWaalsContact C-N 3.27Å; M78-E80 PolarHBondContact O-N 3.01Å
79D54.3Low56.3Low142 Ų142140.4 Ų140.476%0.75973%0.734SS**  trans-65.998160-80.4-27.7000106.5K77 Q81K77-D79 PolarHBondContact O-N 3.38Å; D79-Q81 PolarHBondContact O-N 3.38Å
80E49.8Very low58.4Low194 Ų194139.8 Ų139.891%0.90772%0.723SS**  trans-60.285.6164.8-82-171.2124.800108.9M78M78-E80 VanDerWaalsContact C-N 3.27Å; M78-E80 PolarHBondContact O-N 3.01Å
81Q50Low60.3Low172 Ų172135.5 Ų135.580%0.80470%0.703SS**  trans-153.693.7162.3-154.9172.718.200110.8D79D79-Q81 PolarHBondContact O-N 3.38Å
82S49.3Very low62.2Low102 Ų102132.1 Ų132.171%0.71369%0.69SS**  161.7106.6123.7-72.30000109.5S84S82-S84 PolarHBondContact O-N 2.87Å
83T49.6Very low64Low158 Ų158129.7 Ų129.797%0.96968%0.677SS**  trans-65.566.3157.837.50000109.7
84S59.4Low65.7Low76 Ų76129 Ų12953%0.53167%0.671SS.*  trans-91.2135.6162.9163.70000107.1S82 T86S82-S84 PolarHBondContact O-N 2.87Å; S84-T86 WeakPolarHBondContact CB-OG1 3.31Å; S84-T86 PolarHBondContact O-N 2.93Å; S84-T86 PolarHBondContact O-OG1 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.48Å
85K63.6Low67.5Low221 Ų221130.4 Ų130.496%0.96166%0.664SS**  trans-72.256.3173.2-152.4179.5-170.8-1790108.7
86T65.6Low69.4Low82 Ų82129.5 Ų129.550%0.50366%0.663SS.*  trans-73.5134.3176.5-43.20000106.9S84 I88 D90S84-T86 WeakPolarHBondContact CB-OG1 3.31Å; S84-T86 PolarHBondContact O-N 2.93Å; S84-T86 PolarHBondContact O-OG1 2.91Å; S84-T86 PolarHBondContact OG-OG1 3.48Å; T86-I88 PolarHBondContact O-N 3.44Å; T86-D90 HydrophobicContact CG2-CB 4.35Å
87D78.2Confident71Confident102 Ų102125.6 Ų125.655%0.54564%0.64SS.*  trans-55.5128.4174.5-168.2-17000108.3G89 D90 L91D87-G89 PolarHBondContact O-N 3.28Å; D87-G89 VanDerWaalsContact O-N 3.16Å; D87-G89 PolarHBondContact OD1-N 3.27Å; D87-D90 PolarHBondContact O-N 3.3Å; D87-L91 PolarHBondContact O-N 3.28Å
88I84.7Confident72.5Confident121 Ų121119.8 Ų119.862%0.62162%0.623SS**Hα-helixtrans-59.1-26.6176.6-167.3156.1000110.6T86 L91 L92T86-I88 PolarHBondContact O-N 3.44Å; I88-L91 PolarHBondContact O-N 2.84Å; I88-L92 HydrophobicContact CG1-CD1 4.18Å; I88-L92 HydrophobicContact CG1-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.49Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.3Å
89G84.4Confident73.7Confident35 Ų35115 Ų11536%0.36161%0.609SS.*Hα-helixtrans-59.5-45.9171.500000113.1D87 L92 K93D87-G89 PolarHBondContact O-N 3.28Å; D87-G89 VanDerWaalsContact O-N 3.16Å; D87-G89 PolarHBondContact OD1-N 3.27Å; G89-L92 PolarHBondContact O-N 3.37Å; G89-K93 VanDerWaalsContact O-CB 3.32Å; G89-K93 WeakPolarHBondContact O-CB 3.33Å; G89-K93 PolarHBondContact O-N 2.82Å
90D87Confident74.7Confident99 Ų99114.9 Ų114.953%0.52961%0.605SS.*Hα-helixtrans-67.3-39.7178.6-68.6-27.4000111.4T86 D87 K93 F94T86-D90 HydrophobicContact CG2-CB 4.35Å; D87-D90 PolarHBondContact O-N 3.3Å; D90-K93 PolarHBondContact O-N 2.86Å; D90-F94 WeakPolarHBondContact O-CB 3.43Å; D90-F94 PolarHBondContact O-N 3.4Å
91L86.9Confident75.6Confident78 Ų78110.8 Ų110.841%0.40859%0.589SS.*Hα-helixtrans-63-44.3175.8179.463.7000111.6D87 I88 R95D87-L91 PolarHBondContact O-N 3.28Å; I88-L91 PolarHBondContact O-N 2.84Å; L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 3.23Å; L91-R95 VanDerWaalsContact O-N 3.1Å
92L88.2Confident76.3Confident104 Ų104108.5 Ų108.555%0.54558%0.582SS.*Hα-helixtrans-67.1-41.9178-72.3171.9000111.1I88 G89 R95 L96I88-L92 HydrophobicContact CG1-CD1 4.18Å; I88-L92 HydrophobicContact CG1-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.49Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.3Å; G89-L92 PolarHBondContact O-N 3.37Å; L92-R95 PolarHBondContact O-N 3.49Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 2.85Å
93K88.6Confident76.6Confident123 Ų123108.9 Ų108.954%0.53558%0.576SS.*Hα-helixtrans-59.1-48.7176.3-175173.9-176.5-72.20111.6G89 D90 R95 L96 E97G89-K93 VanDerWaalsContact O-CB 3.32Å; G89-K93 WeakPolarHBondContact O-CB 3.33Å; G89-K93 PolarHBondContact O-N 2.82Å; D90-K93 PolarHBondContact O-N 2.86Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.4Å; K93-L96 PolarHBondContact O-N 2.89Å; K93-E97 WeakPolarHBondContact CE-OE1 3.48Å; K93-E97 IonicContact NZ-OE1 2.66Å; K93-E97 PolarHBondContact NZ-OE1 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.27Å; K93-E97 PolarHBondContact O-N 3.5Å
94F87.6Confident76.9Confident143 Ų143108.1 Ų108.163%0.62757%0.566SS**Hα-helixtrans-59.2-42.7176.4176.6-95.8000112.3D90 A98D90-F94 WeakPolarHBondContact O-CB 3.43Å; D90-F94 PolarHBondContact O-N 3.4Å; F94-A98 WeakPolarHBondContact O-CB 3.27Å; F94-A98 PolarHBondContact O-N 3.44Å
95R87.3Confident76.6Confident147 Ų147109 Ų10956%0.55557%0.565SS**Hα-helixtrans-69.1-36.4178.6-73.2177.7-178-116.41.5112.8L91 L92 K93 A98 A99L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 3.23Å; L91-R95 VanDerWaalsContact O-N 3.1Å; L92-R95 PolarHBondContact O-N 3.49Å; K93-R95 VanDerWaalsContact C-N 3.33Å; K93-R95 PolarHBondContact O-N 3.4Å; R95-A98 PolarHBondContact O-N 2.94Å; R95-A99 PolarHBondContact O-N 2.84Å
96L87.6Confident76.1Confident127 Ų127105.4 Ų105.467%0.66555%0.551SS**Hα-helixtrans-67.2-44.8176.9-150.3101.6000110.5L92 K93 A98 A99 E100L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 2.85Å; K93-L96 PolarHBondContact O-N 2.89Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 2.74Å; L96-A99 PolarHBondContact O-N 3.42Å; L96-E100 PolarHBondContact O-N 3.37Å
97E86.1Confident75.6Confident82 Ų82107.1 Ų107.138%0.38356%0.558SS.*Hα-helixtrans-60.5-40.2174.3-73.9172.7-171.600111.3K93 E100 N101K93-E97 WeakPolarHBondContact CE-OE1 3.48Å; K93-E97 IonicContact NZ-OE1 2.66Å; K93-E97 PolarHBondContact NZ-OE1 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.27Å; K93-E97 PolarHBondContact O-N 3.5Å; E97-E100 PolarHBondContact O-N 3.05Å; E97-N101 PolarHBondContact O-N 3.48Å; E97-N101 PolarHBondContact O-ND2 3.38Å
98A82Confident74.6Confident44 Ų44108.5 Ų108.536%0.36457%0.565SS.*Hα-helixtrans-63.8-42.8175.400000112.6F94 R95 L96 N101 D102F94-A98 WeakPolarHBondContact O-CB 3.27Å; F94-A98 PolarHBondContact O-N 3.44Å; R95-A98 PolarHBondContact O-N 2.94Å; L96-A98 VanDerWaalsContact C-N 3.31Å; L96-A98 PolarHBondContact O-N 2.74Å; A98-N101 PolarHBondContact O-N 2.91Å; A98-D102 PolarHBondContact O-N 3.22Å; A98-D102 VanDerWaalsContact O-N 3.13Å
99A78.1Confident73.1Confident62 Ų62107.8 Ų107.851%0.51257%0.569SS.*Hα-helixtrans-68.8-34.3178.800000113R95 L96 N101 D102R95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 3.42Å; A99-N101 VanDerWaalsContact C-N 3.33Å; A99-D102 PolarHBondContact O-N 3.45Å
100E73.6Confident71.8Confident141 Ų141111.6 Ų111.666%0.65958%0.576SS**Hα-helixtrans-67.2-34.6175.7-172.4172.6-166.800111.7L96 E97L96-E100 PolarHBondContact O-N 3.37Å; E97-E100 PolarHBondContact O-N 3.05Å
101N69.5Low70.5Confident107 Ų107113 Ų11357%0.57258%0.584SS**Hα-helixtrans-78.9-18.9175.5-67.8-61.2000113.5E97 A98 A99 D103E97-N101 PolarHBondContact O-N 3.48Å; E97-N101 PolarHBondContact O-ND2 3.38Å; A98-N101 PolarHBondContact O-N 2.91Å; A99-N101 VanDerWaalsContact C-N 3.33Å; N101-D103 VanDerWaalsContact C-N 3.29Å
102D64.2Low69.4Low125 Ų125116.9 Ų116.967%0.66861%0.605SS**Hα-helixtrans-74.7-21173.9-87.5-20000112.2A98 A99 D104 N105A98-D102 PolarHBondContact O-N 3.22Å; A98-D102 VanDerWaalsContact O-N 3.13Å; A99-D102 PolarHBondContact O-N 3.45Å; D102-D104 PolarHBondContact O-N 3.29Å; D102-N105 VanDerWaalsContact O-CB 3.31Å; D102-N105 WeakPolarHBondContact O-CB 3.32Å; D102-N105 PolarHBondContact O-N 2.92Å
103D57Low68.6Low109 Ų109119.5 Ų119.558%0.58361%0.614SS**THydrogen-bonded Turntrans-70.1-16.3176.7-125.92.5000112.4N101 N105 E106N101-D103 VanDerWaalsContact C-N 3.29Å; D103-N105 CarbonylContact O-C 3.55Å; D103-N105 PolarHBondContact O-N 3.48Å; D103-N105 VanDerWaalsContact O-N 3.16Å; D103-E106 WeakPolarHBondContact O-CA 3.34Å; D103-E106 PolarHBondContact O-N 3.04Å
104D54.4Low67.8Low142 Ų142118.5 Ų118.576%0.75962%0.623SS**THydrogen-bonded Turntrans-65.4-11.6167.7-79.7-19.5000112.2D102 E106D102-D104 PolarHBondContact O-N 3.29Å; D104-E106 PolarHBondContact O-N 3.3Å
105N54.6Low67.3Low95 Ų95117.5 Ų117.551%0.50863%0.631SS.*  trans-80.146.4159.8-152.611.9000110.8D102 D103 N107 N108D102-N105 VanDerWaalsContact O-CB 3.31Å; D102-N105 WeakPolarHBondContact O-CB 3.32Å; D102-N105 PolarHBondContact O-N 2.92Å; D103-N105 CarbonylContact O-C 3.55Å; D103-N105 PolarHBondContact O-N 3.48Å; D103-N105 VanDerWaalsContact O-N 3.16Å; N105-N107 PolarHBondContact O-N 2.88Å; N105-N108 PolarHBondContact O-N 3.01Å
106E52.6Low66.7Low145 Ų145116.5 Ų116.568%0.67864%0.636SS**THydrogen-bonded Turntrans-57.5-6.6176.3-153.1-173-169.300112D103 D104 K110D103-E106 WeakPolarHBondContact O-CA 3.34Å; D103-E106 PolarHBondContact O-N 3.04Å; D104-E106 PolarHBondContact O-N 3.3Å; E106-K110 WeakPolarHBondContact O-CE 3.35Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å
107N55.8Low66.3Low119 Ų119119.2 Ų119.264%0.63665%0.645SS**THydrogen-bonded Turntrans-84-17.8170.8-83.9-14.3000114.8N105 K110N105-N107 PolarHBondContact O-N 2.88Å; N107-K110 WeakPolarHBondContact OD1-CE 3.33Å; N107-K110 PolarHBondContact OD1-NZ 3.35Å
108N55.7Low66Low130 Ų130124.5 Ų124.570%0.69566%0.663SS**THydrogen-bonded Turntrans-98.1-16.8-177.1-154.819.1000113.4N105N105-N108 PolarHBondContact O-N 3.01Å
109C53Low65.6Low106 Ų106126.6 Ų126.672%0.71668%0.68SS**SBendtrans-98.58.5171.1-71.50000113.2N111C109-N111 PolarHBondContact O-N 2.95Å
110K58.3Low65.6Low115 Ų115133.1 Ų133.150%0.569%0.693SS.*SBendtrans-66.4104.4166.5-81.6171.3-174.7173.60107.5E106 N107 N112E106-K110 WeakPolarHBondContact O-CE 3.35Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å; N107-K110 WeakPolarHBondContact OD1-CE 3.33Å; N107-K110 PolarHBondContact OD1-NZ 3.35Å; K110-N112 VanDerWaalsContact C-N 3.32Å; K110-N112 PolarHBondContact O-N 3.47Å
111N59.1Low65.9Low129 Ų129135.2 Ų135.269%0.6970%0.703SS**  trans-7.789.7149.855.4-16.8000111.9C109 E113C109-N111 PolarHBondContact O-N 2.95Å; N111-E113 PolarHBondContact O-N 3.49Å
112N64.9Low66.3Low159 Ų159131.9 Ų131.985%0.8569%0.694SS**  trans-72.318.8174.355.7-25.4000111.6K110 S114K110-N112 VanDerWaalsContact C-N 3.32Å; K110-N112 PolarHBondContact O-N 3.47Å; N112-S114 PolarHBondContact O-N 3.35Å; N112-S114 VanDerWaalsContact O-N 3.17Å
113E70.4Confident66.8Low159 Ų159129 Ų12974%0.74368%0.684SS**  trans-79.693.4171.9-166.7170.7-164.800107.5N111N111-E113 PolarHBondContact O-N 3.49Å
114S71.3Confident67.4Low103 Ų103131.4 Ų131.472%0.7270%0.697SS**  trans-57.6131.5163.3-80.10000108.5N112 L116N112-S114 PolarHBondContact O-N 3.35Å; N112-S114 VanDerWaalsContact O-N 3.17Å; S114-L116 PolarHBondContact O-N 3.42Å
115P78.2Confident67.8Low122 Ų122131.6 Ų131.679%0.79269%0.693SS**  trans-53.4133.3172.6-22.631.7000109.9E117P115-E117 PolarHBondContact O-N 2.98Å; P115-E117 VanDerWaalsContact O-N 3.09Å
116L74.2Confident67.9Low126 Ų126135.4 Ų135.466%0.6671%0.707SS**  trans-61113.6170.9-80.5144.2000108.8S114 Y118S114-L116 PolarHBondContact O-N 3.42Å; L116-Y118 HydrophobicContact CB-CD2 4.08Å; L116-Y118 HydrophobicContact CB-CE2 3.47Å; L116-Y118 VanDerWaalsContact CB-CE2 3.47Å; L116-Y118 HydrophobicContact CD1-CE2 4.47Å; L116-Y118 HydrophobicContact CG-CE2 4.48Å; L116-Y118 WeakPolarHBondContact O-CD2 3.42Å; L116-Y118 PolarHBondContact O-N 3.36Å
117E79.8Confident67.9Low183 Ų183134 Ų13486%0.85571%0.711SS**  trans-77.499.1174.2-170.5172.1-16500108.7P115P115-E117 PolarHBondContact O-N 2.98Å; P115-E117 VanDerWaalsContact O-N 3.09Å
118Y78.8Confident67.8Low193 Ų193136.7 Ų136.776%0.75772%0.717SS**  trans-90.8108171.6-63.2-77000109.3L116L116-Y118 HydrophobicContact CB-CD2 4.08Å; L116-Y118 HydrophobicContact CB-CE2 3.47Å; L116-Y118 VanDerWaalsContact CB-CE2 3.47Å; L116-Y118 HydrophobicContact CD1-CE2 4.47Å; L116-Y118 HydrophobicContact CG-CE2 4.48Å; L116-Y118 WeakPolarHBondContact O-CD2 3.42Å; L116-Y118 PolarHBondContact O-N 3.36Å
119A74.3Confident67.8Low89 Ų89139 Ų13974%0.73672%0.724SS**  trans-121.354173.300000110.8E121A119-E121 PolarHBondContact O-N 2.87Å
120Y77.5Confident67.7Low199 Ų199142 Ų14278%0.7873%0.727SS**  trans-82.999.5171.7-171.8-103.9000109.3G122Y120-G122 PolarHBondContact O-N 3.37Å
121E81Confident67.5Low184 Ų184142.1 Ų142.186%0.8674%0.737SS**  trans-78.51.5-179.7-165.4161.2-164.200113A119A119-E121 PolarHBondContact O-N 2.87Å
122G77.4Confident67.3Low37 Ų37141.9 Ų141.938%0.38174%0.736SS.*  trans74.9160.8-163.500000110.4Y120Y120-G122 PolarHBondContact O-N 3.37Å
123S73.6Confident67Low65 Ų65141.7 Ų141.746%0.45573%0.734SS.*  trans-95.4132.4169.362.20000108.5E125S123-E125 WeakPolarHBondContact CB-OE1 3.23Å; S123-E125 PolarHBondContact O-N 3.45Å; S123-E125 PolarHBondContact OG-OE1 3.27Å
124D70.7Confident65.9Low160 Ų160140.3 Ų140.386%0.85674%0.741SS**  trans-72.937.1177.4-53.9-28.7000112E126D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 3.06Å
125E63.4Low65.1Low146 Ų146140.5 Ų140.568%0.68274%0.742SS**  trans-80.673.2-177.3-61.5-177.7-105.100109.8S123S123-E125 WeakPolarHBondContact CB-OE1 3.23Å; S123-E125 PolarHBondContact O-N 3.45Å; S123-E125 PolarHBondContact OG-OE1 3.27Å
126E56.8Low63.7Low174 Ų174143.6 Ų143.681%0.81375%0.746SS**  trans-66.1128.6150.3-99.2-164.4156.200108D124D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 3.06Å
127P52.6Low62.5Low117 Ų117142.9 Ų142.976%0.7675%0.747SS**  -14089.773.735.2-17.1000110.5Q129P127-Q129 PolarHBondContact O-N 3.04Å
128F53.7Low60.9Low174 Ų174141.3 Ų141.376%0.76374%0.744SS**  trans-73.388158.3-75.8-75.9000107.6H130F128-H130 PolarHBondContact O-N 3.26Å
129Q55.3Low59Low180 Ų180136.8 Ų136.884%0.84174%0.741SS**  trans-34.9105.7155.8-117.2170.123.700108.7P127 V131P127-Q129 PolarHBondContact O-N 3.04Å; Q129-V131 PolarHBondContact O-N 2.98Å
130H49.8Very low57.5Low168 Ų168139 Ų13978%0.77874%0.741SS**  trans16.372.8159.4-113.1-89.2000113.8F128 D132F128-H130 PolarHBondContact O-N 3.26Å; H130-D132 VanDerWaalsContact C-N 3.32Å; H130-D132 IonicContact ND1-OD1 3.48Å; H130-D132 PolarHBondContact ND1-OD1 2.88Å; H130-D132 PolarHBondContact O-N 2.87Å
131V54.6Low56.1Low117 Ų117138.4 Ų138.471%0.70974%0.742SS**  trans-8099160.1-178.80000103.7Q129 L133Q129-V131 PolarHBondContact O-N 2.98Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.48Å
132D55.5Low54.7Low125 Ų125136.5 Ų136.567%0.66874%0.737SS**  trans-45.196.1-175.3-73.7-38.5000110.8H130 C134H130-D132 VanDerWaalsContact C-N 3.32Å; H130-D132 IonicContact ND1-OD1 3.48Å; H130-D132 PolarHBondContact ND1-OD1 2.88Å; H130-D132 PolarHBondContact O-N 2.87Å; D132-C134 VanDerWaalsContact C-N 3.3Å; D132-C134 PolarHBondContact O-N 3.36Å
133L59Low53Low155 Ų155144.1 Ų144.181%0.81276%0.763SS**  trans-61.2100.4164.5-81.3143.6000105.1V131 S135V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.48Å; L133-S135 VanDerWaalsContact C-N 3.29Å; L133-S135 PolarHBondContact O-N 3.33Å; L133-S135 PolarHBondContact O-OG 3.43Å; L133-S135 VanDerWaalsContact O-OG 3.04Å
134C47.4Very low51.7Low130 Ų130146.7 Ų146.788%0.87878%0.776SS**  trans-42.493.4-178.7-72.60000110.4D132 E136D132-C134 VanDerWaalsContact C-N 3.3Å; D132-C134 PolarHBondContact O-N 3.36Å; C134-E136 PolarHBondContact O-N 3.45Å
135S54.1Low50.6Low107 Ų107147 Ų14775%0.74877%0.773SS**  trans-83101.3176.5-63.90000105.8L133 T137L133-S135 VanDerWaalsContact C-N 3.29Å; L133-S135 PolarHBondContact O-N 3.33Å; L133-S135 PolarHBondContact O-OG 3.43Å; L133-S135 VanDerWaalsContact O-OG 3.04Å; S135-T137 PolarHBondContact O-N 3.43Å; S135-T137 VanDerWaalsContact O-N 3.13Å
136E49.2Very low49.8Very low187 Ų187148.8 Ų148.887%0.87479%0.786SS**  trans-55.1112163.9-171.9178.5150.200107.8C134C134-E136 PolarHBondContact O-N 3.45Å
137T47.2Very low49.9Very low111 Ų111144.9 Ų144.968%0.68178%0.778SS**  trans-170.6111.4153.616.70000112.9S135S135-T137 PolarHBondContact O-N 3.43Å; S135-T137 VanDerWaalsContact O-N 3.13Å
138N46.2Very low50.1Low150 Ų150144.6 Ų144.680%0.80278%0.776SS**  trans72.4124.2138.6-65.1-31000121.5
139S40.6Very low50.3Low97 Ų97142.3 Ų142.368%0.67878%0.776SS**  90.7111.3128.3-177.10000118.2
140N42.6Very low50.7Low137 Ų137141.1 Ų141.173%0.73378%0.775SS**  trans71.497.5149.8-65.9-22.8000117.9
141K46.7Very low51.2Low186 Ų186139.3 Ų139.381%0.80977%0.771SS**  171.6149.7103.1-90.2156.3-179.2171.40111.5
142N51.5Low51.7Low143 Ų143138.1 Ų138.177%0.76577%0.766SS**  trans50.693.7153.458.9-7.6000120.5T144N142-T144 PolarHBondContact O-N 2.99Å; N142-T144 VanDerWaalsContact O-N 3.09Å
143E42.5Very low51.6Low198 Ų198138.8 Ų138.893%0.92578%0.777SS**  trans-44.1101.5147.3-56.3171.9122.900111.7
144T47Very low51.5Low119 Ų119134.8 Ų134.873%0.7377%0.774SS**  trans-166.2132.6145.1-24.10000110.3N142N142-T144 PolarHBondContact O-N 2.99Å; N142-T144 VanDerWaalsContact O-N 3.09Å
145Q47.5Very low51.8Low167 Ų167137.7 Ų137.778%0.7877%0.772SS**  trans91.169.6160-48-164.882.600118
146L46.1Very low52Low182 Ų182145.7 Ų145.795%0.95380%0.797SS**  trans-84.4100.5143.8-72.9169.4000107.7
147S58.3Low52.2Low92 Ų92143.7 Ų143.764%0.64379%0.794SS**  trans-76.7139.3168.6-54.60000109.5V149S147-V149 PolarHBondContact O-N 3.35Å
148P56.7Low52.4Low111 Ų111145.4 Ų145.472%0.72180%0.799SS**  trans-68135.1-177.727.2-31.1000110.4N150P148-N150 PolarHBondContact O-N 2.95Å; P148-N150 VanDerWaalsContact O-N 3.15Å
149V58.8Low52.8Low127 Ų127145.1 Ų145.177%0.7780%0.799SS**  trans-59.5113171.41710000108.5S147 N151S147-V149 PolarHBondContact O-N 3.35Å; V149-N151 PolarHBondContact O-N 3.41Å
150N63.6Low53.5Low154 Ų154147.9 Ų147.982%0.82481%0.806SS**  trans-77.7106.1169.5-82.9-31.4000108.6P148P148-N150 PolarHBondContact O-N 2.95Å; P148-N150 VanDerWaalsContact O-N 3.15Å
151N60.7Low54.2Low130 Ų130148.6 Ų148.670%0.69581%0.811SS**PPolyproline II helixtrans-67.1142.9167.7-75.2-25.4000110.2V149V149-N151 PolarHBondContact O-N 3.41Å
152P64Low54.7Low92 Ų92146.1 Ų146.160%0.59781%0.811SS**PPolyproline II helixtrans-65.9151.3174.427.6-33.1000111.3G154P152-G154 PolarHBondContact O-N 3.45Å
153P54.7Low54.9Low140 Ų140146.4 Ų146.491%0.90981%0.814SS**THydrogen-bonded Turntrans-66.5124-177.727.4-31.7000109.9
154G55.2Low55.9Low71 Ų71142.4 Ų142.473%0.73281%0.806SS**THydrogen-bonded Turntrans139.61.9176.100000116.7P152P152-G154 PolarHBondContact O-N 3.45Å
155F53.9Low56.6Low190 Ų190144.3 Ų144.383%0.83381%0.812SS**  trans-130.186.2173.8-72.5-90.4000109.6
156E60.1Low57.5Low276 Ų276142.3 Ų142.3100%1.2982%0.815SS**  trans-100.30154.8-79-168.9159.600109.1

Retrieved 156 of 156 residues in 143.3 ms (Link to these results)