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Isoform 5 of Synaptotagmin-like protein 3 AlphaSync

Canonical isoform description: May act as Rab effector protein and play a role in vesicle trafficking. Binds phospholipids in the presence of calcium ions.

AlphaFold DB , UniProt , Accession Q99N48-5 (canonical: Q99N48), Species MOUSE (Mus musculus, Mouse), Gene Sytl3, Length 114 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
1M41.5Very low66.1Low237 Ų237119.7 Ų119.7100%1.16761%0.614SS**  0116.60-64.3-63.6-175.800105.6H3M1-H3 PolarHBondContact O-N 2.96Å
2A51.3Low67.7Low94 Ų94118.7 Ų118.778%0.77761%0.605SS**  trans-47.9131.2-174.400000109.3E4A2-E4 PolarHBondContact O-N 2.98Å
3H57.4Low69.2Low160 Ų160117.2 Ų117.274%0.74160%0.599SS**  trans-54.793.9163.7-17856.1000105.2M1 V5M1-H3 PolarHBondContact O-N 2.96Å; H3-V5 WeakPolarHBondContact CD2-CG2 3.43Å; H3-V5 PolarHBondContact O-N 3.09Å
4E57.6Low70.6Confident183 Ų183117.2 Ų117.286%0.85560%0.595SS**  trans-62.180.9156.5-75.7-177.5176.100103.5A2 D6A2-E4 PolarHBondContact O-N 2.98Å; E4-D6 PolarHBondContact O-N 3.35Å
5V61.8Low71.9Confident58 Ų58118.1 Ų118.135%0.35259%0.588SS.*  trans-43115.5160.5174.30000102.9H3 L7 F10H3-V5 WeakPolarHBondContact CD2-CG2 3.43Å; H3-V5 PolarHBondContact O-N 3.09Å; V5-L7 HydrophobicContact CG1-CD2 4.04Å; V5-L7 WeakPolarHBondContact O-CG 3.07Å; V5-L7 PolarHBondContact O-N 3.11Å; V5-F10 HydrophobicContact CG1-CD2 3.62Å; V5-F10 HydrophobicContact CG1-CE2 3.43Å; V5-F10 VanDerWaalsContact CG1-CE2 3.43Å
6D68Low73.1Confident85 Ų85115.7 Ų115.746%0.45558%0.578SS.*  trans-66.680.2179.9176.910.9000108E4 E8 S9 F10E4-D6 PolarHBondContact O-N 3.35Å; D6-E8 PolarHBondContact O-N 3.19Å; D6-E8 VanDerWaalsContact O-N 3.16Å; D6-E8 PolarHBondContact OD1-N 3.2Å; D6-S9 WeakPolarHBondContact CB-OG 3.34Å; D6-S9 PolarHBondContact O-N 2.73Å; D6-S9 PolarHBondContact O-OG 3.41Å; D6-S9 VanDerWaalsContact O-OG 3.11Å; D6-S9 PolarHBondContact OD1-N 3.31Å; D6-S9 WeakPolarHBondContact OD2-CB 3.46Å; D6-S9 PolarHBondContact OD2-OG 3.34Å; D6-F10 WeakPolarHBondContact O-CD2 3.39Å; D6-F10 PolarHBondContact O-N 2.88Å; D6-F10 VanDerWaalsContact O-N 3.08Å
7L69.4Low74.3Confident108 Ų108115 Ų11557%0.56558%0.575SS**Hα-helixtrans-61.4-22.6-178.1-69.7173.3000110V5 K11V5-L7 HydrophobicContact CG1-CD2 4.04Å; V5-L7 WeakPolarHBondContact O-CG 3.07Å; V5-L7 PolarHBondContact O-N 3.11Å; L7-K11 WeakPolarHBondContact O-CB 3.37Å; L7-K11 VanDerWaalsContact O-CD 3.28Å; L7-K11 WeakPolarHBondContact O-CD 3.13Å; L7-K11 WeakPolarHBondContact O-CG 3.36Å; L7-K11 PolarHBondContact O-N 2.83Å; L7-K11 VanDerWaalsContact O-N 3.08Å
8E78.4Confident75.4Confident140 Ų140114.2 Ų114.265%0.65457%0.572SS**Hα-helixtrans-74.3-46.5176.8-62.5-168.4159.400111.2D6 K11 E12D6-E8 PolarHBondContact O-N 3.19Å; D6-E8 VanDerWaalsContact O-N 3.16Å; D6-E8 PolarHBondContact OD1-N 3.2Å; E8-K11 CarbonylContact O-C 3.58Å; E8-K11 WeakPolarHBondContact O-CB 3.25Å; E8-K11 PolarHBondContact O-N 2.86Å; E8-E12 WeakPolarHBondContact O-CG 3.49Å; E8-E12 PolarHBondContact O-N 3.16Å
9S77.2Confident76.4Confident35 Ų35113.8 Ų113.825%0.24557%0.572CS.*Hα-helixtrans-67.4-35.1174.463.90000113.3D6 K11 E12 L13D6-S9 WeakPolarHBondContact CB-OG 3.34Å; D6-S9 PolarHBondContact O-N 2.73Å; D6-S9 PolarHBondContact O-OG 3.41Å; D6-S9 VanDerWaalsContact O-OG 3.11Å; D6-S9 PolarHBondContact OD1-N 3.31Å; D6-S9 WeakPolarHBondContact OD2-CB 3.46Å; D6-S9 PolarHBondContact OD2-OG 3.34Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 2.89Å; S9-E12 WeakPolarHBondContact O-CB 3.27Å; S9-E12 PolarHBondContact O-N 2.88Å; S9-L13 WeakPolarHBondContact O-CG 3.49Å; S9-L13 PolarHBondContact O-N 3.5Å
10F78.6Confident77.4Confident109 Ų109117.2 Ų117.248%0.47858%0.577SS.*Hα-helixtrans-61.1-44.3170.8-76.8-67.9000111.3V5 D6 E12 L13 E14V5-F10 HydrophobicContact CG1-CD2 3.62Å; V5-F10 HydrophobicContact CG1-CE2 3.43Å; V5-F10 VanDerWaalsContact CG1-CE2 3.43Å; D6-F10 WeakPolarHBondContact O-CD2 3.39Å; D6-F10 PolarHBondContact O-N 2.88Å; D6-F10 VanDerWaalsContact O-N 3.08Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 2.95Å; F10-L13 PolarHBondContact O-N 2.87Å; F10-E14 WeakPolarHBondContact O-CB 3.47Å; F10-E14 VanDerWaalsContact O-CG 3.3Å; F10-E14 WeakPolarHBondContact O-CG 3.11Å; F10-E14 PolarHBondContact O-N 3.21Å
11K85.4Confident78.3Confident108 Ų108115.9 Ų115.947%0.4758%0.575SS.*Hα-helixtrans-62.9-34.5174.3-74.2167.2-173.2172.30112.2L7 E8 S9 R15L7-K11 WeakPolarHBondContact O-CB 3.37Å; L7-K11 VanDerWaalsContact O-CD 3.28Å; L7-K11 WeakPolarHBondContact O-CD 3.13Å; L7-K11 WeakPolarHBondContact O-CG 3.36Å; L7-K11 PolarHBondContact O-N 2.83Å; L7-K11 VanDerWaalsContact O-N 3.08Å; E8-K11 CarbonylContact O-C 3.58Å; E8-K11 WeakPolarHBondContact O-CB 3.25Å; E8-K11 PolarHBondContact O-N 2.86Å; S9-K11 VanDerWaalsContact C-N 3.34Å; S9-K11 PolarHBondContact O-N 2.89Å; K11-R15 WeakPolarHBondContact O-CB 3Å; K11-R15 WeakPolarHBondContact O-CG 3.29Å; K11-R15 PolarHBondContact O-N 3.23Å; K11-R15 PolarHBondContact O-NH1 2.95Å
12E85.9Confident80.9Confident107 Ų107109.3 Ų109.350%0.554%0.544SS..Hα-helixtrans-64.2-49.2173.7-77175.4-179.700111.7E8 S9 F10 E14 R15 D16E8-E12 WeakPolarHBondContact O-CG 3.49Å; E8-E12 PolarHBondContact O-N 3.16Å; S9-E12 WeakPolarHBondContact O-CB 3.27Å; S9-E12 PolarHBondContact O-N 2.88Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 2.95Å; E12-E14 PolarHBondContact O-N 3.42Å; E12-R15 WeakPolarHBondContact O-CB 3.37Å; E12-R15 PolarHBondContact O-N 3.36Å; E12-D16 PolarHBondContact O-N 3.11Å
13L86.9Confident83.1Confident100 Ų100112.5 Ų112.552%0.52454%0.537SS..Hα-helixtrans-62.4-41.7177.4-68.3172.9000111.9S9 F10 D16 I17S9-L13 WeakPolarHBondContact O-CG 3.49Å; S9-L13 PolarHBondContact O-N 3.5Å; F10-L13 PolarHBondContact O-N 2.87Å; L13-D16 PolarHBondContact O-N 2.79Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 3.06Å
14E88.7Confident85Confident117 Ų117113.7 Ų113.755%0.54754%0.536SS..Hα-helixtrans-61.8-44.9174.3-74.9178.8158.100111.5F10 E12 D16 I17 I18F10-E14 WeakPolarHBondContact O-CB 3.47Å; F10-E14 VanDerWaalsContact O-CG 3.3Å; F10-E14 WeakPolarHBondContact O-CG 3.11Å; F10-E14 PolarHBondContact O-N 3.21Å; E12-E14 PolarHBondContact O-N 3.42Å; E14-D16 VanDerWaalsContact C-N 3.35Å; E14-D16 PolarHBondContact O-N 2.93Å; E14-I17 PolarHBondContact O-N 3.41Å; E14-I18 VanDerWaalsContact O-CG1 3.27Å; E14-I18 WeakPolarHBondContact O-CG1 3.49Å; E14-I18 PolarHBondContact O-N 3.27Å
15R90.2Very high86.9Confident130 Ų130109.4 Ų109.449%0.49152%0.519SS..Hα-helixtrans-59.3-45.4174.6-78.4-170.7-56.2-96.313.2111.4K11 E12 I17 I18 L19K11-R15 WeakPolarHBondContact O-CB 3Å; K11-R15 WeakPolarHBondContact O-CG 3.29Å; K11-R15 PolarHBondContact O-N 3.23Å; K11-R15 PolarHBondContact O-NH1 2.95Å; E12-R15 WeakPolarHBondContact O-CB 3.37Å; E12-R15 PolarHBondContact O-N 3.36Å; R15-I17 VanDerWaalsContact C-N 3.33Å; R15-I17 PolarHBondContact O-N 2.99Å; R15-I18 PolarHBondContact O-N 3.15Å; R15-L19 WeakPolarHBondContact O-CB 3.38Å; R15-L19 VanDerWaalsContact O-CG 3.31Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.18Å
16D91.6Very high88.6Confident80 Ų80112.1 Ų112.143%0.42853%0.527SS..Hα-helixtrans-60.8-40.9177.6-86.63000112.2E12 L13 E14 L19 R20E12-D16 PolarHBondContact O-N 3.11Å; L13-D16 PolarHBondContact O-N 2.79Å; E14-D16 VanDerWaalsContact C-N 3.35Å; E14-D16 PolarHBondContact O-N 2.93Å; D16-L19 PolarHBondContact O-N 3.32Å; D16-R20 VanDerWaalsContact O-CG 3.24Å; D16-R20 WeakPolarHBondContact O-CG 3.24Å; D16-R20 PolarHBondContact O-N 3.14Å
17I93.4Very high90Very high104 Ų104111.2 Ų111.253%0.53353%0.525SS..Hα-helixtrans-63.7-47.9175.1-68.3163.6000110.3L13 E14 R15 L19 R20 V21L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 3.06Å; E14-I17 PolarHBondContact O-N 3.41Å; R15-I17 VanDerWaalsContact C-N 3.33Å; R15-I17 PolarHBondContact O-N 2.99Å; I17-L19 VanDerWaalsContact C-N 3.33Å; I17-L19 PolarHBondContact O-N 2.92Å; I17-R20 PolarHBondContact O-N 3.38Å; I17-V21 WeakPolarHBondContact O-CG2 3.37Å; I17-V21 PolarHBondContact O-N 2.72Å
18I93.2Very high91.3Very high100 Ų100109.6 Ų109.651%0.51352%0.519SS..Hα-helixtrans-59.3-45.8178.4-67.9164.8000110.3E14 R15 R20 V21 L22E14-I18 VanDerWaalsContact O-CG1 3.27Å; E14-I18 WeakPolarHBondContact O-CG1 3.49Å; E14-I18 PolarHBondContact O-N 3.27Å; R15-I18 PolarHBondContact O-N 3.15Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.48Å; I18-V21 PolarHBondContact O-N 3.11Å; I18-L22 HydrophobicContact CG2-CD1 3.87Å; I18-L22 HydrophobicContact CG2-CG 4.25Å; I18-L22 WeakPolarHBondContact O-CG 3.33Å; I18-L22 PolarHBondContact O-N 3.12Å
19L94.7Very high92.2Very high108 Ų108107.9 Ų107.957%0.56551%0.511SS*.Hα-helixtrans-60.5-41.8177.6-73.7173.5000112.1R15 D16 I17 L22 Y23R15-L19 WeakPolarHBondContact O-CB 3.38Å; R15-L19 VanDerWaalsContact O-CG 3.31Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.18Å; D16-L19 PolarHBondContact O-N 3.32Å; I17-L19 VanDerWaalsContact C-N 3.33Å; I17-L19 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 3.22Å; L19-Y23 WeakPolarHBondContact O-CB 3.16Å; L19-Y23 PolarHBondContact O-N 3.42Å
20R96.3Very high93.2Very high181 Ų181109.3 Ų109.368%0.68352%0.521SS*.Hα-helixtrans-63.3-40.8175.1-71.8170.4-172.6-168.75.4112.1D16 I17 I18 R24D16-R20 VanDerWaalsContact O-CG 3.24Å; D16-R20 WeakPolarHBondContact O-CG 3.24Å; D16-R20 PolarHBondContact O-N 3.14Å; I17-R20 PolarHBondContact O-N 3.38Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.48Å; R20-R24 WeakPolarHBondContact O-CB 3.34Å; R20-R24 PolarHBondContact O-N 2.77Å
21V96.8Very high94.1Very high89 Ų89108 Ų10854%0.53952%0.522SS..Hα-helixtrans-63.5-47.7175.7172.10000110.4I17 I18 Y23 R24 D25I17-V21 WeakPolarHBondContact O-CG2 3.37Å; I17-V21 PolarHBondContact O-N 2.72Å; I18-V21 PolarHBondContact O-N 3.11Å; V21-Y23 PolarHBondContact O-N 3.43Å; V21-R24 PolarHBondContact O-N 3.44Å; V21-D25 WeakPolarHBondContact O-CB 3.47Å; V21-D25 PolarHBondContact O-N 2.66Å
22L95.9Very high94.7Very high99 Ų99106.7 Ų106.752%0.51852%0.518SS..Hα-helixtrans-62.4-42.5178.7-70.1173.5000112.3I18 L19 R24 D25 Q26I18-L22 HydrophobicContact CG2-CD1 3.87Å; I18-L22 HydrophobicContact CG2-CG 4.25Å; I18-L22 WeakPolarHBondContact O-CG 3.33Å; I18-L22 PolarHBondContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.22Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 3.49Å; L22-D25 PolarHBondContact O-N 2.92Å; L22-Q26 WeakPolarHBondContact O-CB 3.4Å; L22-Q26 PolarHBondContact O-N 3.45Å
23Y96.9Very high95.2Very high161 Ų161106 Ų10663%0.63152%0.515SS*.Hα-helixtrans-64.6-40.7177.1-177.1-96.2000112L19 V21 Q26 T27L19-Y23 WeakPolarHBondContact O-CB 3.16Å; L19-Y23 PolarHBondContact O-N 3.42Å; V21-Y23 PolarHBondContact O-N 3.43Å; Y23-Q26 PolarHBondContact O-N 3Å; Y23-T27 PolarHBondContact O-N 3.33Å; Y23-T27 PolarHBondContact O-OG1 3.27Å
24R97.4Very high95.7Very high186 Ų186104.6 Ų104.670%0.70251%0.505SS*.Hα-helixtrans-63.8-44.6174.4-178179.2178.8173.8-0111R20 V21 L22 T27 V28R20-R24 WeakPolarHBondContact O-CB 3.34Å; R20-R24 PolarHBondContact O-N 2.77Å; V21-R24 PolarHBondContact O-N 3.44Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 3.49Å; R24-T27 WeakPolarHBondContact O-CB 3.5Å; R24-T27 PolarHBondContact O-N 2.81Å; R24-V28 WeakPolarHBondContact O-CG2 3.37Å; R24-V28 PolarHBondContact O-N 3.12Å
25D97.8Very high96.2Very high93 Ų93105.3 Ų105.350%0.49750%0.503SS..Hα-helixtrans-60.8-46.7177.9-169.564.2000111.1V21 L22 T27 V28 Q29V21-D25 WeakPolarHBondContact O-CB 3.47Å; V21-D25 PolarHBondContact O-N 2.66Å; L22-D25 PolarHBondContact O-N 2.92Å; D25-T27 VanDerWaalsContact C-N 3.29Å; D25-T27 PolarHBondContact O-N 3.3Å; D25-V28 PolarHBondContact O-N 3.35Å; D25-V28 VanDerWaalsContact O-N 3.12Å; D25-Q29 WeakPolarHBondContact O-CB 3.44Å; D25-Q29 PolarHBondContact O-N 3.12Å
26Q97.5Very high96.5Very high115 Ų115101.8 Ų101.854%0.53750%0.496SS..Hα-helixtrans-58-40.6175-174.5179.638.300112.5L22 Y23 S30L22-Q26 WeakPolarHBondContact O-CB 3.4Å; L22-Q26 PolarHBondContact O-N 3.45Å; Y23-Q26 PolarHBondContact O-N 3Å; Q26-S30 WeakPolarHBondContact O-CB 3.42Å; Q26-S30 PolarHBondContact O-N 3.26Å; Q26-S30 PolarHBondContact O-OG 3.35Å
27T97.5Very high96.8Very high66 Ų66104.8 Ų104.841%0.40550%0.501SS..Hα-helixtrans-63.9-46.8176.2-58.20000110.8Y23 R24 D25 S30 T31Y23-T27 PolarHBondContact O-N 3.33Å; Y23-T27 PolarHBondContact O-OG1 3.27Å; R24-T27 WeakPolarHBondContact O-CB 3.5Å; R24-T27 PolarHBondContact O-N 2.81Å; D25-T27 VanDerWaalsContact C-N 3.29Å; D25-T27 PolarHBondContact O-N 3.3Å; T27-S30 PolarHBondContact O-N 3.16Å; T27-T31 VanDerWaalsContact O-CG2 3.24Å; T27-T31 WeakPolarHBondContact O-CG2 3.11Å; T27-T31 PolarHBondContact O-N 3.14Å; T27-T31 VanDerWaalsContact O-N 3.09Å
28V97.7Very high97Very high74 Ų74106.3 Ų106.345%0.44850%0.504SS..Hα-helixtrans-62-47.7177.3172.10000110.6R24 D25 S30 T31 E32R24-V28 WeakPolarHBondContact O-CG2 3.37Å; R24-V28 PolarHBondContact O-N 3.12Å; D25-V28 PolarHBondContact O-N 3.35Å; D25-V28 VanDerWaalsContact O-N 3.12Å; V28-S30 VanDerWaalsContact C-N 3.34Å; V28-S30 PolarHBondContact O-N 3.29Å; V28-T31 PolarHBondContact O-N 2.85Å; V28-T31 VanDerWaalsContact O-N 3.15Å; V28-T31 PolarHBondContact O-OG1 2.98Å; V28-E32 PolarHBondContact O-N 3.05Å
29Q97.6Very high97.1Very high103 Ų103105.9 Ų105.948%0.48150%0.502SS..Hα-helixtrans-58.3-46.1178.5-176.5176400111.4D25 T31 E32 E33D25-Q29 WeakPolarHBondContact O-CB 3.44Å; D25-Q29 PolarHBondContact O-N 3.12Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 3.22Å; Q29-E32 PolarHBondContact O-N 2.88Å; Q29-E33 HydrophobicContact CG-CG 4.31Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.48Å; Q29-E33 PolarHBondContact NE2-OE1 3.26Å; Q29-E33 WeakPolarHBondContact O-CB 3.3Å; Q29-E33 VanDerWaalsContact O-CG 3.31Å; Q29-E33 WeakPolarHBondContact O-CG 3.26Å; Q29-E33 PolarHBondContact O-N 3.33Å
30S97.1Very high97.2Very high65 Ų65107.6 Ų107.646%0.45551%0.505SS..Hα-helixtrans-60.4-39.9177.9-600000112.1Q26 T27 V28 E34Q26-S30 WeakPolarHBondContact O-CB 3.42Å; Q26-S30 PolarHBondContact O-N 3.26Å; Q26-S30 PolarHBondContact O-OG 3.35Å; T27-S30 PolarHBondContact O-N 3.16Å; V28-S30 VanDerWaalsContact C-N 3.34Å; V28-S30 PolarHBondContact O-N 3.29Å; S30-E34 PolarHBondContact O-N 3.34Å; S30-E34 VanDerWaalsContact O-N 3.1Å
31T97.4Very high97.1Very high81 Ų81102 Ų10250%0.49749%0.494SS..Hα-helixtrans-68-40.9177.963.60000112.3T27 V28 Q29 E34 R35T27-T31 VanDerWaalsContact O-CG2 3.24Å; T27-T31 WeakPolarHBondContact O-CG2 3.11Å; T27-T31 PolarHBondContact O-N 3.14Å; T27-T31 VanDerWaalsContact O-N 3.09Å; V28-T31 PolarHBondContact O-N 2.85Å; V28-T31 VanDerWaalsContact O-N 3.15Å; V28-T31 PolarHBondContact O-OG1 2.98Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 3.22Å; T31-E34 PolarHBondContact O-N 3.43Å; T31-R35 WeakPolarHBondContact O-CB 3.38Å; T31-R35 PolarHBondContact O-N 2.94Å
32E97.8Very high96.9Very high82 Ų82102.7 Ų102.738%0.38349%0.491SS..Hα-helixtrans-68.6-40.8177-77.4-61.111000112.1V28 Q29 E34 R35 V36V28-E32 PolarHBondContact O-N 3.05Å; Q29-E32 PolarHBondContact O-N 2.88Å; E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.37Å; E32-R35 WeakPolarHBondContact O-CB 3.36Å; E32-R35 PolarHBondContact O-N 2.92Å; E32-R35 IonicContact OE1-CZ 3.95Å; E32-R35 IonicContact OE1-NE 3.03Å; E32-R35 PolarHBondContact OE1-NE 2.9Å; E32-R35 IonicContact OE2-CZ 3.31Å; E32-R35 VanDerWaalsContact OE2-CZ 3.31Å; E32-R35 IonicContact OE2-NE 3.09Å; E32-R35 PolarHBondContact OE2-NE 3.29Å; E32-R35 VanDerWaalsContact OE2-NE 3.09Å; E32-R35 IonicContact OE2-NH2 2.69Å; E32-R35 PolarHBondContact OE2-NH2 3.3Å; E32-V36 WeakPolarHBondContact O-CB 3.32Å; E32-V36 VanDerWaalsContact O-CG2 3.32Å; E32-V36 WeakPolarHBondContact O-CG2 3.45Å; E32-V36 PolarHBondContact O-N 3.34Å
33E97.7Very high96.8Very high93 Ų93101.9 Ų101.944%0.43549%0.487SS..Hα-helixtrans-60.9-43175.1-75.9178.3-172.800111.7Q29 V36 R37Q29-E33 HydrophobicContact CG-CG 4.31Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.48Å; Q29-E33 PolarHBondContact NE2-OE1 3.26Å; Q29-E33 WeakPolarHBondContact O-CB 3.3Å; Q29-E33 VanDerWaalsContact O-CG 3.31Å; Q29-E33 WeakPolarHBondContact O-CG 3.26Å; Q29-E33 PolarHBondContact O-N 3.33Å; E33-V36 PolarHBondContact O-N 3.23Å; E33-R37 VanDerWaalsContact O-CB 3.32Å; E33-R37 WeakPolarHBondContact O-CB 3.43Å; E33-R37 PolarHBondContact O-N 3.23Å
34E97.6Very high96.4Very high69 Ų69101 Ų10132%0.32249%0.489SS..Hα-helixtrans-65.5-40.3175.6-177.255.3-150.700111.6S30 T31 E32 V36 R37 K38S30-E34 PolarHBondContact O-N 3.34Å; S30-E34 VanDerWaalsContact O-N 3.1Å; T31-E34 PolarHBondContact O-N 3.43Å; E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.37Å; E34-V36 PolarHBondContact O-N 3.49Å; E34-R37 PolarHBondContact O-N 2.92Å; E34-R37 IonicContact OE2-CZ 3.5Å; E34-R37 IonicContact OE2-NE 3.89Å; E34-R37 IonicContact OE2-NH1 2.7Å; E34-R37 PolarHBondContact OE2-NH1 3.49Å; E34-K38 WeakPolarHBondContact O-CG 3.31Å; E34-K38 PolarHBondContact O-N 3.31Å; E34-K38 WeakPolarHBondContact OE1-CE 3.41Å
35R97.6Very high95.9Very high132 Ų13296.6 Ų96.650%0.49848%0.476SS..Hα-helixtrans-60.8-45.5174.8-169.5-177.768.676.72.8111.5T31 E32 K38 L39T31-R35 WeakPolarHBondContact O-CB 3.38Å; T31-R35 PolarHBondContact O-N 2.94Å; E32-R35 WeakPolarHBondContact O-CB 3.36Å; E32-R35 PolarHBondContact O-N 2.92Å; E32-R35 IonicContact OE1-CZ 3.95Å; E32-R35 IonicContact OE1-NE 3.03Å; E32-R35 PolarHBondContact OE1-NE 2.9Å; E32-R35 IonicContact OE2-CZ 3.31Å; E32-R35 VanDerWaalsContact OE2-CZ 3.31Å; E32-R35 IonicContact OE2-NE 3.09Å; E32-R35 PolarHBondContact OE2-NE 3.29Å; E32-R35 VanDerWaalsContact OE2-NE 3.09Å; E32-R35 IonicContact OE2-NH2 2.69Å; E32-R35 PolarHBondContact OE2-NH2 3.3Å; R35-K38 PolarHBondContact O-N 2.95Å; R35-L39 PolarHBondContact O-N 3.39Å
36V97.7Very high95.1Very high56 Ų5696.5 Ų96.534%0.33947%0.474SS..Hα-helixtrans-64.2-42.5176.7169.90000111E32 E33 E34 L39 K40E32-V36 WeakPolarHBondContact O-CB 3.32Å; E32-V36 VanDerWaalsContact O-CG2 3.32Å; E32-V36 WeakPolarHBondContact O-CG2 3.45Å; E32-V36 PolarHBondContact O-N 3.34Å; E33-V36 PolarHBondContact O-N 3.23Å; E34-V36 PolarHBondContact O-N 3.49Å; V36-L39 PolarHBondContact O-N 2.93Å; V36-K40 HydrophobicContact CG1-CD 4.08Å; V36-K40 HydrophobicContact CG1-CG 4.4Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 3.45Å
37R97.2Very high94.2Very high143 Ų143100.3 Ų100.354%0.5448%0.484SS..Hα-helixtrans-60-49.8176.9-171.8-173.7-61.9154.9-4111.2E33 E34 L39 K40 S41E33-R37 VanDerWaalsContact O-CB 3.32Å; E33-R37 WeakPolarHBondContact O-CB 3.43Å; E33-R37 PolarHBondContact O-N 3.23Å; E34-R37 PolarHBondContact O-N 2.92Å; E34-R37 IonicContact OE2-CZ 3.5Å; E34-R37 IonicContact OE2-NE 3.89Å; E34-R37 IonicContact OE2-NH1 2.7Å; E34-R37 PolarHBondContact OE2-NH1 3.49Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 2.98Å; R37-K40 PolarHBondContact O-N 3.41Å; R37-S41 PolarHBondContact O-N 2.9Å; R37-S41 PolarHBondContact O-OG 3.48Å
38K97.2Very high93.1Very high136 Ų136104.6 Ų104.659%0.59149%0.493SS*.Hα-helixtrans-57-44.9175.9-73.5178.5-175.9176.90111.9E34 R35 S41 H42E34-K38 WeakPolarHBondContact O-CG 3.31Å; E34-K38 PolarHBondContact O-N 3.31Å; E34-K38 WeakPolarHBondContact OE1-CE 3.41Å; R35-K38 PolarHBondContact O-N 2.95Å; K38-S41 PolarHBondContact O-N 3.46Å; K38-H42 WeakPolarHBondContact O-CB 3.35Å; K38-H42 PolarHBondContact O-N 2.95Å
39L96.6Very high92Very high91 Ų91107.2 Ų107.248%0.47650%0.498SS..Hα-helixtrans-65.3-42.8179.4-17261.7000111.9R35 V36 R37 H42 L43R35-L39 PolarHBondContact O-N 3.39Å; V36-L39 PolarHBondContact O-N 2.93Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 2.98Å; L39-H42 PolarHBondContact O-N 3.33Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 2.94Å
40K95.4Very high90.5Very high144 Ų144103.7 Ų103.763%0.62649%0.49SS*.Hα-helixtrans-61.2-46175.4-76.2179.3178.71780111.8V36 R37 H42 L43 Q44V36-K40 HydrophobicContact CG1-CD 4.08Å; V36-K40 HydrophobicContact CG1-CG 4.4Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 3.45Å; R37-K40 PolarHBondContact O-N 3.41Å; K40-H42 VanDerWaalsContact C-N 3.34Å; K40-H42 PolarHBondContact O-N 3.43Å; K40-L43 PolarHBondContact O-N 3.31Å; K40-Q44 PolarHBondContact O-N 2.98Å
41S95Very high88.9Confident64 Ų64103.4 Ų103.445%0.44849%0.491SS..Hα-helixtrans-61.4-41.9176.4-61.80000111.8R37 K38 Q44 H45R37-S41 PolarHBondContact O-N 2.9Å; R37-S41 PolarHBondContact O-OG 3.48Å; K38-S41 PolarHBondContact O-N 3.46Å; S41-Q44 PolarHBondContact O-N 2.94Å; S41-H45 PolarHBondContact O-N 2.91Å
42H93.2Very high86.9Confident104 Ų104106.1 Ų106.148%0.48150%0.496SS..Hα-helixtrans-63.4-42.7176.1-173.9-142.6000112K38 L39 K40 H45 L46K38-H42 WeakPolarHBondContact O-CB 3.35Å; K38-H42 PolarHBondContact O-N 2.95Å; L39-H42 PolarHBondContact O-N 3.33Å; K40-H42 VanDerWaalsContact C-N 3.34Å; K40-H42 PolarHBondContact O-N 3.43Å; H42-H45 PolarHBondContact O-N 3.49Å; H42-L46 WeakPolarHBondContact O-CG 3.32Å; H42-L46 PolarHBondContact O-N 3.26Å
43L91.9Very high84.9Confident82 Ų82107.1 Ų107.143%0.42951%0.512SS..Hα-helixtrans-63.1-40.7174.6-73177.6000112.4L39 K40 H45 L46 R47L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 2.94Å; K40-L43 PolarHBondContact O-N 3.31Å; L43-H45 VanDerWaalsContact C-N 3.34Å; L43-L46 PolarHBondContact O-N 3.27Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.03Å; L43-R47 PolarHBondContact O-N 3.14Å
44Q89.2Confident82.9Confident143 Ų143107.7 Ų107.767%0.66853%0.526SS*.Hα-helixtrans-63.3-41.5175.8-173.3178.54.800111.4K40 S41 R47 W48K40-Q44 PolarHBondContact O-N 2.98Å; S41-Q44 PolarHBondContact O-N 2.94Å; Q44-R47 PolarHBondContact O-N 3.33Å; Q44-W48 WeakPolarHBondContact O-CB 3.38Å; Q44-W48 PolarHBondContact O-N 3.1Å
45H86.5Confident80.8Confident93 Ų93109 Ų10943%0.43154%0.543SS..Hα-helixtrans-63-44175.7-175.359.9000112.7S41 H42 L43 R47 W48 K49S41-H45 PolarHBondContact O-N 2.91Å; H42-H45 PolarHBondContact O-N 3.49Å; L43-H45 VanDerWaalsContact C-N 3.34Å; H45-R47 VanDerWaalsContact C-N 3.34Å; H45-R47 PolarHBondContact O-N 2.93Å; H45-W48 PolarHBondContact O-N 3.48Å; H45-K49 VanDerWaalsContact NE2-CE 3.26Å; H45-K49 WeakPolarHBondContact NE2-CE 3.46Å; H45-K49 PolarHBondContact NE2-NZ 3.39Å; H45-K49 PolarHBondContact O-N 3.46Å
46L82.6Confident78.7Confident90 Ų90110.3 Ų110.347%0.47156%0.555SS.*Hα-helixtrans-62.2-41.5175.5-71.9172.8000111.7H42 L43 K49 G50H42-L46 WeakPolarHBondContact O-CG 3.32Å; H42-L46 PolarHBondContact O-N 3.26Å; L43-L46 PolarHBondContact O-N 3.27Å; L46-K49 PolarHBondContact O-N 2.85Å; L46-G50 PolarHBondContact O-N 3.38Å
47R78.4Confident76.5Confident195 Ų195115.7 Ų115.774%0.73658%0.576SS**Hα-helixtrans-62.8-43.3174.7-73.8173179.1-177.6-0112L43 Q44 H45 G50 A51L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.03Å; L43-R47 PolarHBondContact O-N 3.14Å; Q44-R47 PolarHBondContact O-N 3.33Å; H45-R47 VanDerWaalsContact C-N 3.34Å; H45-R47 PolarHBondContact O-N 2.93Å; R47-G50 PolarHBondContact O-N 2.91Å; R47-A51 PolarHBondContact O-N 3.32Å
48W74.1Confident74.3Confident156 Ų156117.8 Ų117.859%0.59159%0.586SS**Hα-helixtrans-63.1-44.8177.2179.5-105.4000112.3Q44 H45 G50 A51 K52Q44-W48 WeakPolarHBondContact O-CB 3.38Å; Q44-W48 PolarHBondContact O-N 3.1Å; H45-W48 PolarHBondContact O-N 3.48Å; W48-G50 VanDerWaalsContact C-N 3.34Å; W48-G50 PolarHBondContact O-N 2.85Å; W48-A51 PolarHBondContact O-N 3.5Å; W48-K52 VanDerWaalsContact CE2-CE 3.49Å; W48-K52 PolarHBondContact O-N 3.23Å
49K75.1Confident72.6Confident130 Ų130121 Ų12157%0.56560%0.599SS**Hα-helixtrans-60.4-42.3173.4-77.6-176169.1-179.20112.1H45 L46H45-K49 VanDerWaalsContact NE2-CE 3.26Å; H45-K49 WeakPolarHBondContact NE2-CE 3.46Å; H45-K49 PolarHBondContact NE2-NZ 3.39Å; H45-K49 PolarHBondContact O-N 3.46Å; L46-K49 PolarHBondContact O-N 2.85Å
50G66Low71.2Confident29 Ų29122.1 Ų122.130%0.29960%0.602SS.*Hα-helixtrans-63.9-40.817700000113.4L46 R47 W48 S53L46-G50 PolarHBondContact O-N 3.38Å; R47-G50 PolarHBondContact O-N 2.91Å; W48-G50 VanDerWaalsContact C-N 3.34Å; W48-G50 PolarHBondContact O-N 2.85Å; G50-S53 PolarHBondContact O-N 3Å
51A63.3Low70.7Confident59 Ų59121 Ų12149%0.48860%0.598SS.*Hα-helixtrans-65.7-41.3179.700000112.9R47 W48 S53 S54R47-A51 PolarHBondContact O-N 3.32Å; W48-A51 PolarHBondContact O-N 3.5Å; A51-S53 PolarHBondContact O-N 2.86Å; A51-S54 PolarHBondContact O-N 3.05Å; A51-S54 PolarHBondContact O-OG 3.09Å
52K55.6Low70.3Confident138 Ų138121.3 Ų121.360%0.660%0.598SS**Hα-helixtrans-64.6-22.9179.6-81-170.9172.8-172.70114.4W48 S54W48-K52 VanDerWaalsContact CE2-CE 3.49Å; W48-K52 PolarHBondContact O-N 3.23Å; K52-S54 PolarHBondContact O-N 2.69Å
53S55.2Low70.3Confident103 Ų103116.4 Ų116.472%0.7258%0.576SS**THydrogen-bonded Turntrans-75.7-8178.4-168.20000113.7G50 A51G50-S53 PolarHBondContact O-N 3Å; A51-S53 PolarHBondContact O-N 2.86Å
54S54.7Low70.3Confident105 Ų105114.6 Ų114.673%0.73457%0.573SS**THydrogen-bonded Turntrans-85.1-14-17365.60000115.1A51 K52A51-S54 PolarHBondContact O-N 3.05Å; A51-S54 PolarHBondContact O-OG 3.09Å; K52-S54 PolarHBondContact O-N 2.69Å
55S54.5Low70.4Confident96 Ų96111.5 Ų111.567%0.67156%0.555SS**SBendtrans-90.6-8.2-169.254.80000115.7
56Q52.8Low70.5Confident160 Ų160110 Ų11075%0.74856%0.555SS**SBendtrans-114.983.6-167.6-140.5143.2-3100113.3
57E51.7Low70.8Confident168 Ų168112.4 Ų112.479%0.78556%0.563SS**SBend89.46.7123.2-143.8168.9-172.700121.4
58Y50.8Low71.2Confident188 Ų188110.5 Ų110.574%0.73756%0.556SS**SBendtrans-143.3149.2150.4-124.8-104.6000108E60Y58-E60 PolarHBondContact O-N 3.03Å
59K62.3Low71.8Confident202 Ų202105.5 Ų105.588%0.87855%0.548SS*.  trans-67.149.4176.5-66.21741791720111.4K61K59-K61 PolarHBondContact O-N 2.79Å
60E67.1Low72.5Confident115 Ų11599.6 Ų99.654%0.53752%0.522SS..PPolyproline II helixtrans-60.9119.1173.7-67.3-167.1162.500107.4Y58 C62 A69Y58-E60 PolarHBondContact O-N 3.03Å; E60-C62 PolarHBondContact O-N 2.7Å; E60-A69 WeakPolarHBondContact OE2-CB 3.36Å
61K84.4Confident73.4Confident122 Ų12299.8 Ų99.853%0.5353%0.525SS..EExtended strand (participates in β ladder)trans-72.1132.5176.9-62.8-178.8-177.8174.60106.6K59 L70K59-K61 PolarHBondContact O-N 2.79Å; K61-L70 HydrophobicContact CB-CB 4.45Å; K61-L70 HydrophobicContact CB-CD1 4.06Å; K61-L70 WeakPolarHBondContact O-CA 3.38Å; K61-L70 WeakPolarHBondContact O-CB 3.4Å; K61-L70 WeakPolarHBondContact O-CD1 3.41Å; K61-L70 WeakPolarHBondContact O-CG 3.46Å; K61-L70 PolarHBondContact O-N 2.96Å
62C87.6Confident74.5Confident69 Ų69102.7 Ų102.747%0.46653%0.531SS..EExtended strand (participates in β ladder)trans-96.7152.8173.9-65.40000111.4E60 A64 R68E60-C62 PolarHBondContact O-N 2.7Å; C62-A64 PolarHBondContact O-N 3.09Å; C62-R68 WeakPolarHBondContact CA-O 3.41Å
63C92.4Very high75.9Confident1 Ų1102.6 Ų102.61%0.00754%0.537CS..PPolyproline II helixtrans-66.2125.6168.6179.10000110.1R65 C66 Q67 R68 L70 C88C63-R65 PolarHBondContact O-N 3.41Å; C63-R65 PolarHBondContact SG-N 3.4Å; C63-R65 VanDerWaalsContact SG-N 3.45Å; C63-C66 VanDerWaalsContact CB-SG 3.55Å; C63-Q67 WeakPolarHBondContact O-CA 3.33Å; C63-Q67 PolarHBondContact O-N 3.15Å; C63-R68 PolarHBondContact N-O 3.36Å; C63-L70 HydrophobicContact CB-CD2 4.17Å; C63-C88 HydrophobicContact CB-CB 4.1Å; C63-C88 PolarHBondContact SG-N 2.94Å
64A91.2Very high77.3Confident44 Ų44104.9 Ų104.936%0.36454%0.54SS..THydrogen-bonded Turntrans-66.6-5.1178.200000114.8C62 H85 R86C62-A64 PolarHBondContact O-N 3.09Å; A64-H85 HydrophobicContact CB-CB 3.6Å; A64-R86 PolarHBondContact N-O 3.42Å
65R92.7Very high78.8Confident78 Ų78102.8 Ų102.829%0.29452%0.521SS..THydrogen-bonded Turntrans-107.2-47.4-179.2-58.9-55.3174.7-1572113.3C63 C83 V87 C91 C103C63-R65 PolarHBondContact O-N 3.41Å; C63-R65 PolarHBondContact SG-N 3.4Å; C63-R65 VanDerWaalsContact SG-N 3.45Å; R65-C83 PolarHBondContact NH2-SG 3.25Å; R65-V87 HydrophobicContact CG-CG1 4.06Å; R65-V87 HydrophobicContact CG-CG2 4.14Å; R65-C91 HydrophobicContact CB-CB 3.75Å; R65-C91 HydrophobicContact CG-CB 4.1Å; R65-C103 HydrophobicContact CG-CB 4.15Å; R65-C103 VanDerWaalsContact CZ-SG 3.54Å; R65-C103 PolarHBondContact NE-SG 3.2Å; R65-C103 PolarHBondContact NH2-SG 3.08Å
66C89Confident80.5Confident63 Ų63104.9 Ų104.943%0.42651%0.514SS..THydrogen-bonded Turntrans-110.6-1.4-179.665.40000114.1C63 R68 C88C63-C66 VanDerWaalsContact CB-SG 3.55Å; C66-R68 PolarHBondContact O-N 3.12Å; C66-R68 VanDerWaalsContact SG-CB 3.52Å; C66-C88 VanDerWaalsContact SG-SG 3.65Å
67Q87.2Confident82.4Confident139 Ų13997.9 Ų97.965%0.6548%0.484SS*.  trans58.64.3-176.1-57.7-177.52.400115.6C63 A69C63-Q67 WeakPolarHBondContact O-CA 3.33Å; C63-Q67 PolarHBondContact O-N 3.15Å; Q67-A69 PolarHBondContact O-N 2.79Å
68R86.6Confident84.4Confident156 Ų15691.1 Ų91.159%0.58946%0.457SS*.PPolyproline II helixtrans-55.9133.8173.3-165.6-179.6-148.1169.36.9110.3C62 C63 C66 L70C62-R68 WeakPolarHBondContact CA-O 3.41Å; C63-R68 PolarHBondContact N-O 3.36Å; C66-R68 PolarHBondContact O-N 3.12Å; C66-R68 VanDerWaalsContact SG-CB 3.52Å; R68-L70 PolarHBondContact O-N 3.5Å
69A86.9Confident86.5Confident51 Ų5185.6 Ų85.642%0.42144%0.443SS..EExtended strand (participates in β ladder)trans-56.2132.8171.100000110.2E60 Q67E60-A69 WeakPolarHBondContact OE2-CB 3.36Å; Q67-A69 PolarHBondContact O-N 2.79Å
70L89.8Confident88Confident5 Ų576 Ų763%0.02640%0.402CS..EExtended strand (participates in β ladder)trans-97.8125.6175.8-55168.6000107.5K61 C63 R68 N75 R86 C88K61-L70 HydrophobicContact CB-CB 4.45Å; K61-L70 HydrophobicContact CB-CD1 4.06Å; K61-L70 WeakPolarHBondContact O-CA 3.38Å; K61-L70 WeakPolarHBondContact O-CB 3.4Å; K61-L70 WeakPolarHBondContact O-CD1 3.41Å; K61-L70 WeakPolarHBondContact O-CG 3.46Å; K61-L70 PolarHBondContact O-N 2.96Å; C63-L70 HydrophobicContact CB-CD2 4.17Å; R68-L70 PolarHBondContact O-N 3.5Å; L70-N75 WeakPolarHBondContact CB-O 3.38Å; L70-N75 WeakPolarHBondContact CD2-O 3.24Å; L70-R86 HydrophobicContact CD1-CG 3.54Å; L70-C88 HydrophobicContact CD2-CB 3.59Å
71G86.6Confident89.2Confident34 Ų3476.7 Ų76.735%0.35141%0.405SS..PPolyproline II helixtrans-66.8161.3179.800000112.3L74 R76G71-L74 CarbonylContact C-O 3.55Å; G71-L74 VanDerWaalsContact CA-O 3.29Å; G71-L74 WeakPolarHBondContact CA-O 3.31Å; G71-L74 PolarHBondContact N-O 2.86Å; G71-R76 VanDerWaalsContact O-CA 3.24Å; G71-R76 WeakPolarHBondContact O-CA 3.21Å; G71-R76 WeakPolarHBondContact O-CG 3.46Å
72L85.1Confident89.5Confident119 Ų11972.7 Ų72.762%0.62340%0.398SS*.SBendtrans-74.8-29.5176.5-67.4175.4000113.2R76L72-R76 VanDerWaalsContact O-CD 3.25Å; L72-R76 WeakPolarHBondContact O-CD 3.36Å; L72-R76 WeakPolarHBondContact O-CG 3.48Å; L72-R76 PolarHBondContact O-NE 2.98Å; L72-R76 PolarHBondContact O-NH2 3.49Å
73L84.7Confident89.7Confident136 Ų13671.1 Ų71.171%0.71239%0.388SS*.SBendtrans-112.3-57.5-178.5-63.6-179.7000111.3R76L73-R76 VanDerWaalsContact CD2-NH2 3.25Å; L73-R76 PolarHBondContact O-NE 2.68Å
74L86Confident89.7Confident152 Ų15275.7 Ų75.780%0.79642%0.419SS*.SBendtrans-93139.3177.7-60.6174.7000110.3G71 R76G71-L74 CarbonylContact C-O 3.55Å; G71-L74 VanDerWaalsContact CA-O 3.29Å; G71-L74 WeakPolarHBondContact CA-O 3.31Å; G71-L74 PolarHBondContact N-O 2.86Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 3.3Å
75N86.5Confident89.8Confident61 Ų6178.4 Ų78.433%0.32642%0.424SS..  trans51.844.8177.5-158.25.2000114.5L70 G77 S89L70-N75 WeakPolarHBondContact CB-O 3.38Å; L70-N75 WeakPolarHBondContact CD2-O 3.24Å; N75-G77 PolarHBondContact O-N 2.88Å; N75-S89 PolarHBondContact OD1-N 3.25Å
76R90Very high89.8Confident140 Ų14078.2 Ų78.253%0.52842%0.424SS..  trans-59.3-3.4176.7-55-176.7-171.6-151.9-12.2115.4G71 L72 L73 L74 R86G71-R76 VanDerWaalsContact O-CA 3.24Å; G71-R76 WeakPolarHBondContact O-CA 3.21Å; G71-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 VanDerWaalsContact O-CD 3.25Å; L72-R76 WeakPolarHBondContact O-CD 3.36Å; L72-R76 WeakPolarHBondContact O-CG 3.48Å; L72-R76 PolarHBondContact O-NE 2.98Å; L72-R76 PolarHBondContact O-NH2 3.49Å; L73-R76 VanDerWaalsContact CD2-NH2 3.25Å; L73-R76 PolarHBondContact O-NE 2.68Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 3.3Å; R76-R86 PolarHBondContact O-NH1 2.86Å
77G92.3Very high90.1Very high12 Ų1275.2 Ų75.212%0.12440%0.404CS..  trans66.4169.6-166.500000113N75 R86 V87N75-G77 PolarHBondContact O-N 2.88Å; G77-R86 PolarHBondContact O-NH1 3.18Å; G77-R86 VanDerWaalsContact O-NH1 3.16Å; G77-V87 CarbonylContact C-O 3.6Å; G77-V87 WeakPolarHBondContact CA-O 3.36Å
78A94Very high90.5Very high26 Ų2668.7 Ų68.722%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-138.8160.7174.200000108.5R86 V87 R92 W101A78-R86 CarbonylContact O-C 3.52Å; A78-R86 WeakPolarHBondContact O-CA 3.38Å; A78-V87 PolarHBondContact N-O 3.5Å; A78-V87 PolarHBondContact O-N 3.29Å; A78-R92 VanDerWaalsContact CB-CZ 3.42Å; A78-W101 HydrophobicContact CB-CH2 4.04Å; A78-W101 HydrophobicContact CB-CZ2 3.32Å; A78-W101 VanDerWaalsContact O-CH2 3.27Å; A78-W101 WeakPolarHBondContact O-CH2 3.26Å
79V94.5Very high90.8Very high73 Ų7363.6 Ų63.644%0.44236%0.362SS..EExtended strand (participates in β ladder)trans-87.4126.8-175.9176.10000110S84 W101V79-S84 WeakPolarHBondContact CG1-O 3.42Å; V79-W101 VanDerWaalsContact C-CH2 3.4Å; V79-W101 VanDerWaalsContact C-CZ2 3.46Å; V79-W101 WeakPolarHBondContact O-CH2 3.28Å; V79-W101 WeakPolarHBondContact O-CZ2 3.07Å
80C94.5Very high91.2Very high1 Ų167.8 Ų67.81%0.00737%0.372CS..  trans-70.2129.8180170.80000111.2G82 S84 H85 V87 W101 C103C80-G82 PolarHBondContact O-N 3.31Å; C80-G82 VanDerWaalsContact O-N 3.09Å; C80-G82 PolarHBondContact SG-N 2.9Å; C80-G82 VanDerWaalsContact SG-N 3.36Å; C80-S84 WeakPolarHBondContact O-CA 3.27Å; C80-S84 PolarHBondContact O-N 3.43Å; C80-H85 PolarHBondContact N-O 2.85Å; C80-V87 HydrophobicContact CB-CG2 4.48Å; C80-W101 HydrophobicContact CB-CH2 4.04Å; C80-W101 HydrophobicContact CB-CZ3 3.97Å; C80-C103 HydrophobicContact CB-CB 4.1Å; C80-C103 PolarHBondContact SG-N 3.02Å; C80-C103 VanDerWaalsContact SG-SG 3.62Å
81Q90.4Very high91.4Very high128 Ų12868.3 Ų68.360%0.59838%0.376SS*.THydrogen-bonded Turntrans-67.9-6178.7-61.5179.92.200114.8
82G90.9Very high91.8Very high39 Ų3969.6 Ų69.640%0.40237%0.37SS..THydrogen-bonded Turntrans-95.4-62175.900000113.6C80C80-G82 PolarHBondContact O-N 3.31Å; C80-G82 VanDerWaalsContact O-N 3.09Å; C80-G82 PolarHBondContact SG-N 2.9Å; C80-G82 VanDerWaalsContact SG-N 3.36Å
83C92.1Very high92.3Very high36 Ų3665.8 Ų65.824%0.24335%0.352CS..THydrogen-bonded Turntrans-107.54.9-173.462.30000114.8R65 H85 C106R65-C83 PolarHBondContact NH2-SG 3.25Å; C83-H85 PolarHBondContact O-CE1 3.44Å; C83-H85 PolarHBondContact O-N 3.23Å; C83-H85 PolarHBondContact O-ND1 3.38Å; C83-H85 PolarHBondContact SG-ND1 3.49Å; C83-H85 VanDerWaalsContact SG-ND1 3.41Å; C83-C106 VanDerWaalsContact CB-SG 3.58Å
84S92.6Very high92.7Very high96 Ų9665.6 Ų65.667%0.67135%0.346SS*.  trans59.210.9-179.6-56.60000116.6V79 C80V79-S84 WeakPolarHBondContact CG1-O 3.42Å; C80-S84 WeakPolarHBondContact O-CA 3.27Å; C80-S84 PolarHBondContact O-N 3.43Å
85H93.5Very high92.8Very high101 Ų10160 Ų6047%0.46832%0.316SS..  trans-82.1152174.4-67.389.1000112.2A64 C80 C83A64-H85 HydrophobicContact CB-CB 3.6Å; C80-H85 PolarHBondContact N-O 2.85Å; C83-H85 PolarHBondContact O-CE1 3.44Å; C83-H85 PolarHBondContact O-N 3.23Å; C83-H85 PolarHBondContact O-ND1 3.38Å; C83-H85 PolarHBondContact SG-ND1 3.49Å; C83-H85 VanDerWaalsContact SG-ND1 3.41Å
86R93.4Very high92.7Very high75 Ų7568.5 Ų68.528%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-84.9132.3177.6-175.5173.4-72.6-86.3-9112.1A64 L70 R76 G77 A78A64-R86 PolarHBondContact N-O 3.42Å; L70-R86 HydrophobicContact CD1-CG 3.54Å; R76-R86 PolarHBondContact O-NH1 2.86Å; G77-R86 PolarHBondContact O-NH1 3.18Å; G77-R86 VanDerWaalsContact O-NH1 3.16Å; A78-R86 CarbonylContact O-C 3.52Å; A78-R86 WeakPolarHBondContact O-CA 3.38Å
87V94.6Very high92.3Very high0 Ų074.3 Ų74.30%037%0.366CS..EExtended strand (participates in β ladder)trans-139.3134.7-168.6-175.10000111.9R65 G77 A78 C80 C91 R92 W101 C103R65-V87 HydrophobicContact CG-CG1 4.06Å; R65-V87 HydrophobicContact CG-CG2 4.14Å; G77-V87 CarbonylContact C-O 3.6Å; G77-V87 WeakPolarHBondContact CA-O 3.36Å; A78-V87 PolarHBondContact N-O 3.5Å; A78-V87 PolarHBondContact O-N 3.29Å; C80-V87 HydrophobicContact CB-CG2 4.48Å; V87-C91 HydrophobicContact CG1-CB 3.2Å; V87-C91 WeakPolarHBondContact CG1-O 3.3Å; V87-R92 HydrophobicContact CG1-CG 4.38Å; V87-R92 PolarHBondContact O-NE 3.28Å; V87-R92 VanDerWaalsContact O-NE 3.12Å; V87-R92 PolarHBondContact O-NH2 3.45Å; V87-W101 HydrophobicContact CB-CH2 4.24Å; V87-W101 HydrophobicContact CB-CZ3 4.15Å; V87-C103 HydrophobicContact CG1-CB 4.22Å; V87-C103 HydrophobicContact CG2-CB 3.82Å
88C95Very high91.9Very high1 Ų177.2 Ų77.21%0.00738%0.382CS..  trans-65.3166.5175.868.60000111.7C63 C66 L70 E90 C91 R92C63-C88 HydrophobicContact CB-CB 4.1Å; C63-C88 PolarHBondContact SG-N 2.94Å; C66-C88 VanDerWaalsContact SG-SG 3.65Å; L70-C88 HydrophobicContact CD2-CB 3.59Å; C88-E90 VanDerWaalsContact C-N 3.31Å; C88-E90 PolarHBondContact O-N 3.03Å; C88-C91 PolarHBondContact O-N 2.85Å; C88-C91 VanDerWaalsContact SG-SG 3.61Å; C88-R92 WeakPolarHBondContact O-CG 3.24Å; C88-R92 PolarHBondContact O-NE 2.92Å
89S93.6Very high91.5Very high50 Ų5087.7 Ų87.735%0.3542%0.416SS..G310 helixtrans-50.8-46.6176.9510000113.6N75 C91 R92N75-S89 PolarHBondContact OD1-N 3.25Å; S89-C91 PolarHBondContact O-N 2.96Å; S89-R92 PolarHBondContact O-N 3.22Å; S89-R92 VanDerWaalsContact O-N 3.16Å
90E94.6Very high91.4Very high139 Ų13985.2 Ų85.265%0.6540%0.403SS*.G310 helixtrans-65.6-25.3-174.8-53.9-45.911600113.7C88C88-E90 VanDerWaalsContact C-N 3.31Å; C88-E90 PolarHBondContact O-N 3.03Å
91C95.4Very high91.4Very high16 Ų1686.5 Ų86.511%0.10841%0.407CS..G310 helixtrans-97.812.3-178.9-66.50000112.6R65 V87 C88 S89 C103 T104R65-C91 HydrophobicContact CB-CB 3.75Å; R65-C91 HydrophobicContact CG-CB 4.1Å; V87-C91 HydrophobicContact CG1-CB 3.2Å; V87-C91 WeakPolarHBondContact CG1-O 3.3Å; C88-C91 PolarHBondContact O-N 2.85Å; C88-C91 VanDerWaalsContact SG-SG 3.61Å; S89-C91 PolarHBondContact O-N 2.96Å; C91-C103 WeakPolarHBondContact O-CA 3.44Å; C91-T104 PolarHBondContact O-N 2.96Å; C91-T104 VanDerWaalsContact O-N 3.12Å
92R94.9Very high91.6Very high60 Ų6082 Ų8223%0.22639%0.386CS..EExtended strand (participates in β ladder)trans-99.6138.9175.1-48.7-174-170.2154.79.4110A78 V87 C88 S89 W101A78-R92 VanDerWaalsContact CB-CZ 3.42Å; V87-R92 HydrophobicContact CG1-CG 4.38Å; V87-R92 PolarHBondContact O-NE 3.28Å; V87-R92 VanDerWaalsContact O-NE 3.12Å; V87-R92 PolarHBondContact O-NH2 3.45Å; C88-R92 WeakPolarHBondContact O-CG 3.24Å; C88-R92 PolarHBondContact O-NE 2.92Å; S89-R92 PolarHBondContact O-N 3.22Å; S89-R92 VanDerWaalsContact O-N 3.16Å; R92-W101 HydrophobicContact CB-CD2 4.03Å; R92-W101 HydrophobicContact CB-CE3 3.5Å; R92-W101 VanDerWaalsContact CB-CE3 3.5Å; R92-W101 HydrophobicContact CB-CG 4.45Å; R92-W101 HydrophobicContact CB-CZ3 4.07Å; R92-W101 HydrophobicContact CG-CD2 3.99Å; R92-W101 HydrophobicContact CG-CE3 3.43Å; R92-W101 VanDerWaalsContact CG-CE3 3.43Å; R92-W101 HydrophobicContact CG-CH2 4.18Å; R92-W101 HydrophobicContact CG-CZ3 3.53Å
93V94.2Very high91.8Very high39 Ų3980.1 Ų80.124%0.23637%0.366CS..EExtended strand (participates in β ladder)trans-119.7121.3171.6-171.70000108.1W101 K102 T104 F107V93-W101 VanDerWaalsContact O-CA 3.28Å; V93-W101 WeakPolarHBondContact O-CA 3.35Å; V93-W101 WeakPolarHBondContact O-CB 3.35Å; V93-K102 PolarHBondContact N-O 3.49Å; V93-K102 PolarHBondContact O-N 3.4Å; V93-T104 HydrophobicContact CG2-CG2 3.92Å; V93-F107 HydrophobicContact CB-CB 4.03Å; V93-F107 HydrophobicContact CB-CD1 4.26Å; V93-F107 HydrophobicContact CB-CD2 3.99Å; V93-F107 HydrophobicContact CB-CG 3.82Å; V93-F107 HydrophobicContact CG1-CB 4.39Å; V93-F107 HydrophobicContact CG1-CD1 3.82Å; V93-F107 HydrophobicContact CG1-CD2 3.54Å; V93-F107 HydrophobicContact CG1-CE1 3.89Å; V93-F107 HydrophobicContact CG1-CE2 3.63Å; V93-F107 HydrophobicContact CG1-CG 3.64Å; V93-F107 HydrophobicContact CG1-CZ 3.8Å; V93-F107 HydrophobicContact CG2-CB 4.24Å; V93-F107 HydrophobicContact CG2-CD1 4.3Å; V93-F107 HydrophobicContact CG2-CG 4.22Å
94F92.9Very high91.9Very high133 Ų13380.5 Ų80.558%0.58337%0.368SS*.EExtended strand (participates in β ladder)trans-77.6135.9177.9-72.1-86.8000110.7W101F94-W101 HydrophobicContact CD1-CB 3.84Å; F94-W101 HydrophobicContact CE1-CB 4.06Å; F94-W101 HydrophobicContact CE1-CG 4.5Å; F94-W101 HydrophobicContact CG-CB 4.25Å
95L88.4Confident91.9Very high34 Ų3478.4 Ų78.418%0.17835%0.351CS..PPolyproline II helixtrans-79.1130.6176.7-60.1174.8000108.9R97 T98 A100 F107L95-R97 PolarHBondContact O-N 3.34Å; L95-T98 WeakPolarHBondContact CB-OG1 3.43Å; L95-T98 PolarHBondContact O-N 2.88Å; L95-T98 VanDerWaalsContact O-N 3.14Å; L95-T98 PolarHBondContact O-OG1 3.01Å; L95-T98 VanDerWaalsContact O-OG1 3.11Å; L95-A100 HydrophobicContact CD1-CB 4.17Å; L95-A100 PolarHBondContact N-O 2.85Å; L95-F107 HydrophobicContact CD2-CD2 4.05Å; L95-F107 HydrophobicContact CD2-CE2 4.34Å
96R85.2Confident91.9Very high240 Ų24074.1 Ų74.191%0.90633%0.332SS*.THydrogen-bonded Turntrans-50136.3-177.3-68.8-169.8178.1158.30.4111.1T98R96-T98 PolarHBondContact O-N 3.48Å
97R82.1Confident91.8Very high261 Ų26174.6 Ų74.699%0.98534%0.337SS*.THydrogen-bonded Turntrans658.6177.7-55.8-178.6173170.4-2.6116.1L95L95-R97 PolarHBondContact O-N 3.34Å
98T84Confident91.6Very high74 Ų7480.7 Ų80.745%0.45437%0.365SS..SBendtrans-130156.4176.270.10000111L95 R96 A100L95-T98 WeakPolarHBondContact CB-OG1 3.43Å; L95-T98 PolarHBondContact O-N 2.88Å; L95-T98 VanDerWaalsContact O-N 3.14Å; L95-T98 PolarHBondContact O-OG1 3.01Å; L95-T98 VanDerWaalsContact O-OG1 3.11Å; R96-T98 PolarHBondContact O-N 3.48Å; T98-A100 PolarHBondContact O-N 3.22Å; T98-A100 WeakPolarHBondContact OG1-CB 3.45Å; T98-A100 PolarHBondContact OG1-N 3.19Å
99R85.7Confident91Very high246 Ų24685.5 Ų85.593%0.92839%0.391SS*.SBendtrans-77.73.9167.4-64.5-172.4-177.9-163.41.5112.6
100A90.8Very high89.7Confident21 Ų2189.7 Ų89.717%0.17440%0.399CS..  trans-79.7148.6178.700000110.9L95 T98L95-A100 HydrophobicContact CD1-CB 4.17Å; L95-A100 PolarHBondContact N-O 2.85Å; T98-A100 PolarHBondContact O-N 3.22Å; T98-A100 WeakPolarHBondContact OG1-CB 3.45Å; T98-A100 PolarHBondContact OG1-N 3.19Å
101W94.5Very high88Confident28 Ų2886.5 Ų86.511%0.10640%0.396CS..EExtended strand (participates in β ladder)trans-140153.3179.868.2-88.1000110.4A78 V79 C80 V87 R92 V93 F94A78-W101 HydrophobicContact CB-CH2 4.04Å; A78-W101 HydrophobicContact CB-CZ2 3.32Å; A78-W101 VanDerWaalsContact O-CH2 3.27Å; A78-W101 WeakPolarHBondContact O-CH2 3.26Å; V79-W101 VanDerWaalsContact C-CH2 3.4Å; V79-W101 VanDerWaalsContact C-CZ2 3.46Å; V79-W101 WeakPolarHBondContact O-CH2 3.28Å; V79-W101 WeakPolarHBondContact O-CZ2 3.07Å; C80-W101 HydrophobicContact CB-CH2 4.04Å; C80-W101 HydrophobicContact CB-CZ3 3.97Å; V87-W101 HydrophobicContact CB-CH2 4.24Å; V87-W101 HydrophobicContact CB-CZ3 4.15Å; R92-W101 HydrophobicContact CB-CD2 4.03Å; R92-W101 HydrophobicContact CB-CE3 3.5Å; R92-W101 VanDerWaalsContact CB-CE3 3.5Å; R92-W101 HydrophobicContact CB-CG 4.45Å; R92-W101 HydrophobicContact CB-CZ3 4.07Å; R92-W101 HydrophobicContact CG-CD2 3.99Å; R92-W101 HydrophobicContact CG-CE3 3.43Å; R92-W101 VanDerWaalsContact CG-CE3 3.43Å; R92-W101 HydrophobicContact CG-CH2 4.18Å; R92-W101 HydrophobicContact CG-CZ3 3.53Å; V93-W101 VanDerWaalsContact O-CA 3.28Å; V93-W101 WeakPolarHBondContact O-CA 3.35Å; V93-W101 WeakPolarHBondContact O-CB 3.35Å; F94-W101 HydrophobicContact CD1-CB 3.84Å; F94-W101 HydrophobicContact CE1-CB 4.06Å; F94-W101 HydrophobicContact CE1-CG 4.5Å; F94-W101 HydrophobicContact CG-CB 4.25Å
102K94.9Very high86.2Confident32 Ų3292.7 Ų92.714%0.13943%0.428CS..EExtended strand (participates in β ladder)trans-126.6158.5171.5-76.7-171.5162.7-166.60109.2V93 C106V93-K102 PolarHBondContact N-O 3.49Å; V93-K102 PolarHBondContact O-N 3.4Å; K102-C106 HydrophobicContact CB-CB 4.13Å; K102-C106 HydrophobicContact CD-CB 4.07Å; K102-C106 HydrophobicContact CG-CB 4.47Å
103C95.4Very high84.2Confident0 Ų093 Ų930%045%0.45CS..EExtended strand (participates in β ladder)trans-66.8157.9169.871.70000110.6R65 C80 V87 C91 V105 C106 F107R65-C103 HydrophobicContact CG-CB 4.15Å; R65-C103 VanDerWaalsContact CZ-SG 3.54Å; R65-C103 PolarHBondContact NE-SG 3.2Å; R65-C103 PolarHBondContact NH2-SG 3.08Å; C80-C103 HydrophobicContact CB-CB 4.1Å; C80-C103 PolarHBondContact SG-N 3.02Å; C80-C103 VanDerWaalsContact SG-SG 3.62Å; V87-C103 HydrophobicContact CG1-CB 4.22Å; V87-C103 HydrophobicContact CG2-CB 3.82Å; C91-C103 WeakPolarHBondContact O-CA 3.44Å; C103-V105 VanDerWaalsContact C-N 3.29Å; C103-V105 PolarHBondContact O-N 2.96Å; C103-C106 PolarHBondContact O-N 3.16Å; C103-C106 VanDerWaalsContact O-N 3.11Å; C103-C106 PolarHBondContact SG-N 2.9Å; C103-C106 VanDerWaalsContact SG-N 3.41Å; C103-C106 PolarHBondContact SG-SG 3.46Å; C103-F107 WeakPolarHBondContact O-CB 3.43Å; C103-F107 PolarHBondContact O-N 2.66Å
104T94.3Very high81.8Confident45 Ų45104.7 Ų104.728%0.27649%0.489SS..Hα-helixtrans-46-49.4179.349.10000113.1C91 V93 F107 E108C91-T104 PolarHBondContact O-N 2.96Å; C91-T104 VanDerWaalsContact O-N 3.12Å; V93-T104 HydrophobicContact CG2-CG2 3.92Å; T104-F107 WeakPolarHBondContact O-CB 3.16Å; T104-F107 PolarHBondContact O-N 3.08Å; T104-E108 WeakPolarHBondContact O-CG 3.25Å; T104-E108 PolarHBondContact O-N 2.87Å
105V93.5Very high81.2Confident51 Ų51103.3 Ų103.331%0.30949%0.485SS..Hα-helixtrans-60-52.2178.1176.80000112.4C103 F107 E108 D109C103-V105 VanDerWaalsContact C-N 3.29Å; C103-V105 PolarHBondContact O-N 2.96Å; V105-F107 PolarHBondContact O-N 3.22Å; V105-F107 VanDerWaalsContact O-N 3.15Å; V105-E108 PolarHBondContact O-N 3.3Å; V105-E108 VanDerWaalsContact O-N 3.14Å; V105-D109 VanDerWaalsContact O-CG 3.24Å; V105-D109 PolarHBondContact O-N 3.38Å
106C92.5Very high80.8Confident12 Ų12106.9 Ų106.98%0.08150%0.501CS..Hα-helixtrans-68.9-16.2-179.9-64.50000113.7C83 K102 C103C83-C106 VanDerWaalsContact CB-SG 3.58Å; K102-C106 HydrophobicContact CB-CB 4.13Å; K102-C106 HydrophobicContact CD-CB 4.07Å; K102-C106 HydrophobicContact CG-CB 4.47Å; C103-C106 PolarHBondContact O-N 3.16Å; C103-C106 VanDerWaalsContact O-N 3.11Å; C103-C106 PolarHBondContact SG-N 2.9Å; C103-C106 VanDerWaalsContact SG-N 3.41Å; C103-C106 PolarHBondContact SG-SG 3.46Å
107F92.1Very high80.6Confident85 Ų8599.5 Ų99.537%0.37348%0.478SS..Hα-helixtrans-78.3-45.8172.2177.2-96.7000110.2V93 L95 C103 T104 V105 R110 A111V93-F107 HydrophobicContact CB-CB 4.03Å; V93-F107 HydrophobicContact CB-CD1 4.26Å; V93-F107 HydrophobicContact CB-CD2 3.99Å; V93-F107 HydrophobicContact CB-CG 3.82Å; V93-F107 HydrophobicContact CG1-CB 4.39Å; V93-F107 HydrophobicContact CG1-CD1 3.82Å; V93-F107 HydrophobicContact CG1-CD2 3.54Å; V93-F107 HydrophobicContact CG1-CE1 3.89Å; V93-F107 HydrophobicContact CG1-CE2 3.63Å; V93-F107 HydrophobicContact CG1-CG 3.64Å; V93-F107 HydrophobicContact CG1-CZ 3.8Å; V93-F107 HydrophobicContact CG2-CB 4.24Å; V93-F107 HydrophobicContact CG2-CD1 4.3Å; V93-F107 HydrophobicContact CG2-CG 4.22Å; L95-F107 HydrophobicContact CD2-CD2 4.05Å; L95-F107 HydrophobicContact CD2-CE2 4.34Å; C103-F107 WeakPolarHBondContact O-CB 3.43Å; C103-F107 PolarHBondContact O-N 2.66Å; T104-F107 WeakPolarHBondContact O-CB 3.16Å; T104-F107 PolarHBondContact O-N 3.08Å; V105-F107 PolarHBondContact O-N 3.22Å; V105-F107 VanDerWaalsContact O-N 3.15Å; F107-R110 PolarHBondContact O-N 3.05Å; F107-A111 PolarHBondContact O-N 3.01Å
108E88.6Confident80.5Confident127 Ų12790 Ų9059%0.59345%0.449SS*.Hα-helixtrans-64.6-43.3175.1-70.4173.216900112.4T104 V105 R110 A111 N112T104-E108 WeakPolarHBondContact O-CG 3.25Å; T104-E108 PolarHBondContact O-N 2.87Å; V105-E108 PolarHBondContact O-N 3.3Å; V105-E108 VanDerWaalsContact O-N 3.14Å; E108-R110 PolarHBondContact O-N 2.61Å; E108-R110 VanDerWaalsContact O-N 3.12Å; E108-A111 WeakPolarHBondContact O-CA 2.98Å; E108-A111 WeakPolarHBondContact O-CB 3.42Å; E108-A111 PolarHBondContact O-N 3.11Å; E108-N112 PolarHBondContact O-N 2.75Å
109D82.9Confident80.3Confident102 Ų10291 Ų9155%0.54545%0.448SS..Hα-helixtrans-56.4-32.9176.1-67.6-26.2000112V105 G113V105-D109 VanDerWaalsContact O-CG 3.24Å; V105-D109 PolarHBondContact O-N 3.38Å; D109-G113 PolarHBondContact O-N 3.3Å; D109-G113 VanDerWaalsContact O-N 3.11Å
110R66.2Low79.9Confident139 Ų13980.7 Ų80.753%0.52542%0.416SS..Hα-helixtrans-76.6-27.6176.7-159.3-160.6-70.4-87.818.1112.3F107 E108 N112F107-R110 PolarHBondContact O-N 3.05Å; E108-R110 PolarHBondContact O-N 2.61Å; E108-R110 VanDerWaalsContact O-N 3.12Å; R110-N112 VanDerWaalsContact C-N 3.35Å
111A59.4Low79.1Confident71 Ų7184.9 Ų84.959%0.58743%0.434SS*.Hα-helixtrans-72.3-33.2174.500000111.3F107 E108F107-A111 PolarHBondContact O-N 3.01Å; E108-A111 WeakPolarHBondContact O-CA 2.98Å; E108-A111 WeakPolarHBondContact O-CB 3.42Å; E108-A111 PolarHBondContact O-N 3.11Å
112N58.7Low78Confident146 Ų14689.3 Ų89.378%0.78146%0.459SS*.Hα-helixtrans-91.2-6.9-179.6-125.563.5000114.7E108 R110 R114E108-N112 PolarHBondContact O-N 2.75Å; R110-N112 VanDerWaalsContact C-N 3.35Å; N112-R114 VanDerWaalsContact C-N 3.31Å; N112-R114 PolarHBondContact O-N 2.73Å
113G51.8Low76.5Confident66 Ų6694.1 Ų94.168%0.6849%0.485SS*.  trans-89.923.9178.100000114.9D109D109-G113 PolarHBondContact O-N 3.3Å; D109-G113 VanDerWaalsContact O-N 3.11Å
114R43.3Very low74.8Confident285 Ų285102.6 Ų102.6100%1.07553%0.53SS*.  trans-121.50168.9-99.4-168.1-83.7-176.7-6.4108.7N112N112-R114 VanDerWaalsContact C-N 3.31Å; N112-R114 PolarHBondContact O-N 2.73Å

Retrieved 114 of 114 residues in 281 ms (Link to these results)

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