A0A093HVF6_STRCA Loading...

RPA-interacting protein

AlphaFold DB , UniProt , Accession A0A093HVF6, Species STRCA (Struthio camelus australis), Gene n/a, Length 135 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
1M52.6Low81.2Confident232 Ų232117.8 Ų117.8100%1.14363%0.63SS**  0128.70-77.4168.940.100105.8E3M1-E3 PolarHBondContact O-N 3.28Å
2L56.7Low82.4Confident179 Ų179117.8 Ų117.894%0.93762%0.624SS**PPolyproline II helixtrans-69.8125.1169.5-68.4165.3000106
3E68Low83.5Confident150 Ų150119.6 Ų119.670%0.70163%0.626SS**PPolyproline II helixtrans-58.9140.7173.4-73.7163.316200108.8M1M1-E3 PolarHBondContact O-N 3.28Å
4D84.5Confident84.4Confident83 Ų83116.9 Ų116.944%0.44461%0.612SS.*PPolyproline II helixtrans-64.4126.8-178.4-177.984.5000109.2D6 E7 L8D4-D6 PolarHBondContact O-N 2.83Å; D4-D6 WeakPolarHBondContact OD2-CB 3.49Å; D4-D6 PolarHBondContact OD2-N 3.3Å; D4-E7 HydrophobicContact CB-CB 4.05Å; D4-E7 WeakPolarHBondContact O-CB 3.45Å; D4-E7 PolarHBondContact O-N 3.44Å; D4-E7 VanDerWaalsContact O-N 3.12Å; D4-E7 PolarHBondContact OD2-N 3.45Å; D4-L8 PolarHBondContact O-N 2.97Å
5P84.1Confident85.2Confident99 Ų99117.9 Ų117.964%0.64361%0.612SS**Hα-helixtrans-59.1-30-174.8-23.732.5000113.8A9P5-A9 PolarHBondContact O-N 2.9Å
6D87.3Confident86Confident125 Ų125119 Ų11967%0.66861%0.613SS**Hα-helixtrans-76.8-37.4179.6-61.8-26.6000110.4D4 A9 V10D4-D6 PolarHBondContact O-N 2.83Å; D4-D6 WeakPolarHBondContact OD2-CB 3.49Å; D4-D6 PolarHBondContact OD2-N 3.3Å; D6-A9 PolarHBondContact O-N 2.95Å; D6-V10 WeakPolarHBondContact O-CG2 3.32Å; D6-V10 PolarHBondContact O-N 3.05Å
7E89.6Confident86.7Confident124 Ų124118.3 Ų118.358%0.57961%0.606SS**Hα-helixtrans-62.6-41.4172.6-172.6175-170.600111.9D4 V10 L11D4-E7 HydrophobicContact CB-CB 4.05Å; D4-E7 WeakPolarHBondContact O-CB 3.45Å; D4-E7 PolarHBondContact O-N 3.44Å; D4-E7 VanDerWaalsContact O-N 3.12Å; D4-E7 PolarHBondContact OD2-N 3.45Å; E7-V10 PolarHBondContact O-N 2.86Å; E7-L11 WeakPolarHBondContact O-CG 3.17Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-L11 VanDerWaalsContact O-N 3.17Å
8L90.1Very high87.3Confident73 Ų73117.3 Ų117.338%0.38260%0.602SS.*Hα-helixtrans-64.4-41.4178.2-171.863.7000112D4 V10 L11 E12D4-L8 PolarHBondContact O-N 2.97Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 PolarHBondContact O-N 2.84Å; L8-L11 PolarHBondContact O-N 2.79Å; L8-E12 WeakPolarHBondContact O-CG 3.47Å; L8-E12 PolarHBondContact O-N 2.8Å
9A92Very high87.9Confident53 Ų53114.6 Ų114.644%0.43859%0.591SS.*Hα-helixtrans-62.9-38.5177.800000112.6P5 D6 E12 E13P5-A9 PolarHBondContact O-N 2.9Å; D6-A9 PolarHBondContact O-N 2.95Å; A9-E12 PolarHBondContact O-N 3.47Å; A9-E13 PolarHBondContact O-N 2.9Å; A9-E13 VanDerWaalsContact O-N 3.07Å
10V94.2Very high88.4Confident79 Ų79113.1 Ų113.148%0.47958%0.584SS.*Hα-helixtrans-65.1-41.2175.8172.40000111.2D6 E7 L8 E13 I14D6-V10 WeakPolarHBondContact O-CG2 3.32Å; D6-V10 PolarHBondContact O-N 3.05Å; E7-V10 PolarHBondContact O-N 2.86Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 PolarHBondContact O-N 2.84Å; V10-E13 PolarHBondContact O-N 3.32Å; V10-I14 HydrophobicContact CG1-CD1 3.91Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 2.93Å; V10-I14 PolarHBondContact O-N 3.01Å
11L94.6Very high88.9Confident99 Ų99112.5 Ų112.552%0.51858%0.578SS.*Hα-helixtrans-65.6-38.5177.4-68.7172.8000112.1E7 L8 I14 Q15E7-L11 WeakPolarHBondContact O-CG 3.17Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-L11 VanDerWaalsContact O-N 3.17Å; L8-L11 PolarHBondContact O-N 2.79Å; L11-I14 PolarHBondContact O-N 2.85Å; L11-Q15 WeakPolarHBondContact O-CB 3.4Å; L11-Q15 PolarHBondContact O-N 3.23Å
12E95.1Very high91Very high118 Ų118107.5 Ų107.555%0.55155%0.552SS**Hα-helixtrans-64.4-41.1175.3-73.7179.9177.100112.2L8 A9 Q15 H16L8-E12 WeakPolarHBondContact O-CG 3.47Å; L8-E12 PolarHBondContact O-N 2.8Å; A9-E12 PolarHBondContact O-N 3.47Å; E12-Q15 PolarHBondContact O-N 3.1Å; E12-H16 WeakPolarHBondContact O-CB 3.34Å; E12-H16 PolarHBondContact O-N 2.84Å
13E96.4Very high93Very high141 Ų141103.9 Ų103.966%0.65953%0.53SS*.Hα-helixtrans-62.7-46.7175.9-174.4176.3-170.900111.6A9 V10 Q15 H16 E17A9-E13 PolarHBondContact O-N 2.9Å; A9-E13 VanDerWaalsContact O-N 3.07Å; V10-E13 PolarHBondContact O-N 3.32Å; E13-Q15 VanDerWaalsContact C-N 3.32Å; E13-Q15 PolarHBondContact O-N 3.21Å; E13-H16 PolarHBondContact O-N 2.83Å; E13-E17 PolarHBondContact O-N 2.97Å
14I96.6Very high94.4Very high82 Ų82101.1 Ų101.142%0.42152%0.52SS..Hα-helixtrans-60.6-43.6176.4-67.5166.2000110.6V10 L11 H16 E17 L18V10-I14 HydrophobicContact CG1-CD1 3.91Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 2.93Å; V10-I14 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 2.85Å; I14-H16 VanDerWaalsContact C-N 3.32Å; I14-H16 PolarHBondContact O-N 2.92Å; I14-E17 PolarHBondContact O-N 2.89Å; I14-L18 HydrophobicContact CG2-CD1 3.97Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.2Å
15Q97.1Very high95.1Very high131 Ų131102.7 Ų102.761%0.61253%0.528SS*.Hα-helixtrans-62.9-41.4179.2-171175.921.800111.4L11 E12 E13 L18 V19L11-Q15 WeakPolarHBondContact O-CB 3.4Å; L11-Q15 PolarHBondContact O-N 3.23Å; E12-Q15 PolarHBondContact O-N 3.1Å; E13-Q15 VanDerWaalsContact C-N 3.32Å; E13-Q15 PolarHBondContact O-N 3.21Å; Q15-L18 PolarHBondContact O-N 2.83Å; Q15-V19 WeakPolarHBondContact O-CG2 3.44Å; Q15-V19 PolarHBondContact O-N 3.19Å; Q15-V19 VanDerWaalsContact O-N 3.09Å
16H97.6Very high95.7Very high136 Ų136102 Ų10263%0.6352%0.517SS*.Hα-helixtrans-65.2-41.4176.9-172.8-89.7000112E12 E13 I14 V19 L20E12-H16 WeakPolarHBondContact O-CB 3.34Å; E12-H16 PolarHBondContact O-N 2.84Å; E13-H16 PolarHBondContact O-N 2.83Å; I14-H16 VanDerWaalsContact C-N 3.32Å; I14-H16 PolarHBondContact O-N 2.92Å; H16-V19 PolarHBondContact O-N 2.84Å; H16-L20 PolarHBondContact O-N 3.18Å
17E98Very high96.2Very high107 Ų107100.7 Ų100.750%0.551%0.507SS..Hα-helixtrans-62.3-43.9175.5-173.8177.1-16700111.8E13 I14 V19 L20 Q21E13-E17 PolarHBondContact O-N 2.97Å; I14-E17 PolarHBondContact O-N 2.89Å; E17-V19 PolarHBondContact O-N 2.93Å; E17-L20 WeakPolarHBondContact O-CB 3.01Å; E17-L20 PolarHBondContact O-N 2.83Å; E17-Q21 HydrophobicContact CG-CG 4.45Å; E17-Q21 WeakPolarHBondContact O-CG 3.44Å; E17-Q21 PolarHBondContact O-N 3.27Å; E17-Q21 PolarHBondContact OE1-NE2 3.46Å
18L98Very high96.6Very high101 Ų101101.2 Ų101.253%0.52951%0.51SS..Hα-helixtrans-61.5-43.2178.3-73.2170.9000112.1I14 Q15 L20 Q21 E22I14-L18 HydrophobicContact CG2-CD1 3.97Å; I14-L18 HydrophobicContact CG2-CG 4.39Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.48Å; I14-L18 PolarHBondContact O-N 3.2Å; Q15-L18 PolarHBondContact O-N 2.83Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.47Å; L18-Q21 PolarHBondContact O-N 2.8Å; L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 2.74Å
19V97.8Very high97Very high65 Ų65105 Ų10539%0.39452%0.52SS..Hα-helixtrans-63.3-42176.7171.20000110.9Q15 H16 E17 E22 Q23Q15-V19 WeakPolarHBondContact O-CG2 3.44Å; Q15-V19 PolarHBondContact O-N 3.19Å; Q15-V19 VanDerWaalsContact O-N 3.09Å; H16-V19 PolarHBondContact O-N 2.84Å; E17-V19 PolarHBondContact O-N 2.93Å; V19-E22 PolarHBondContact O-N 3.13Å; V19-Q23 WeakPolarHBondContact O-CG 2.9Å; V19-Q23 PolarHBondContact O-N 3.3Å
20L98.2Very high97.3Very high85 Ų85108 Ų10845%0.44553%0.525SS..Hα-helixtrans-62.4-44.3176.7-168.987.7000111.3H16 E17 L18 Q23 L24H16-L20 PolarHBondContact O-N 3.18Å; E17-L20 WeakPolarHBondContact O-CB 3.01Å; E17-L20 PolarHBondContact O-N 2.83Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.47Å; L20-Q23 PolarHBondContact O-N 2.78Å; L20-L24 HydrophobicContact CD2-CD1 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.37Å; L20-L24 WeakPolarHBondContact O-CG 3.2Å; L20-L24 PolarHBondContact O-N 2.88Å
21Q97.9Very high97.4Very high101 Ų101112.3 Ų112.347%0.47253%0.533SS..Hα-helixtrans-64-40.7178.6-74.4-178.4-4.100112.1E17 L18 L24 L25E17-Q21 HydrophobicContact CG-CG 4.45Å; E17-Q21 WeakPolarHBondContact O-CG 3.44Å; E17-Q21 PolarHBondContact O-N 3.27Å; E17-Q21 PolarHBondContact OE1-NE2 3.46Å; L18-Q21 PolarHBondContact O-N 2.8Å; Q21-L24 PolarHBondContact O-N 3.46Å; Q21-L25 WeakPolarHBondContact O-CB 3.47Å; Q21-L25 PolarHBondContact O-N 3.27Å
22E97.9Very high97.6Very high127 Ų127110.6 Ų110.659%0.59353%0.529SS*.Hα-helixtrans-62.7-43.4175.8-172.8177-165.900111.5L18 V19 L25 I26L18-E22 WeakPolarHBondContact O-CB 3.5Å; L18-E22 PolarHBondContact O-N 2.74Å; V19-E22 PolarHBondContact O-N 3.13Å; E22-L25 PolarHBondContact O-N 2.88Å; E22-I26 HydrophobicContact CG-CD1 4.33Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.2Å; E22-I26 VanDerWaalsContact O-N 3.08Å
23Q98Very high97.7Very high103 Ų103108.8 Ų108.848%0.48152%0.523SS..Hα-helixtrans-61.3-46176.2-72.8172.52.700111.9V19 L20 L25 I26 E27V19-Q23 WeakPolarHBondContact O-CG 2.9Å; V19-Q23 PolarHBondContact O-N 3.3Å; L20-Q23 PolarHBondContact O-N 2.78Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.07Å; Q23-I26 PolarHBondContact O-N 3.48Å; Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.87Å
24L98.1Very high97.8Very high92 Ų92107.2 Ų107.248%0.48252%0.515SS..Hα-helixtrans-62.2-38.6177.9-72.1171.3000112.4L20 Q21 E27 E28L20-L24 HydrophobicContact CD2-CD1 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.37Å; L20-L24 WeakPolarHBondContact O-CG 3.2Å; L20-L24 PolarHBondContact O-N 2.88Å; Q21-L24 PolarHBondContact O-N 3.46Å; L24-E27 PolarHBondContact O-N 3.39Å; L24-E28 WeakPolarHBondContact O-CB 3.41Å; L24-E28 PolarHBondContact O-N 3.45Å
25L97.7Very high97.8Very high115 Ų115109.7 Ų109.760%0.60252%0.523SS*.Hα-helixtrans-63.3-42.7176.6-178.268000111.6Q21 E22 Q23 E28 Y29Q21-L25 WeakPolarHBondContact O-CB 3.47Å; Q21-L25 PolarHBondContact O-N 3.27Å; E22-L25 PolarHBondContact O-N 2.88Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.07Å; L25-E28 PolarHBondContact O-N 3.34Å; L25-Y29 PolarHBondContact O-N 2.96Å
26I97.9Very high97.7Very high84 Ų84107.7 Ų107.743%0.43152%0.517SS..Hα-helixtrans-63.4-47.5176.1-66.2166.4000110E22 Q23 E28 Y29 E30E22-I26 HydrophobicContact CG-CD1 4.33Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.2Å; E22-I26 VanDerWaalsContact O-N 3.08Å; Q23-I26 PolarHBondContact O-N 3.48Å; I26-E28 VanDerWaalsContact C-N 3.31Å; I26-E28 PolarHBondContact O-N 3.49Å; I26-Y29 PolarHBondContact O-N 2.9Å; I26-Y29 VanDerWaalsContact O-N 3.16Å; I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.27Å; I26-E30 PolarHBondContact O-N 3.4Å
27E98.1Very high97.6Very high98 Ų98106.9 Ų106.946%0.45851%0.514SS..Hα-helixtrans-61-37.5178.6-73.7-179.7-173.800112.9Q23 L24 R31Q23-E27 WeakPolarHBondContact O-CG 3.49Å; Q23-E27 PolarHBondContact O-N 2.87Å; L24-E27 PolarHBondContact O-N 3.39Å; E27-R31 VanDerWaalsContact O-CB 3.25Å; E27-R31 WeakPolarHBondContact O-CB 3.48Å; E27-R31 PolarHBondContact O-N 3.17Å
28E98Very high97.4Very high135 Ų135106.8 Ų106.863%0.63151%0.513SS*.Hα-helixtrans-64.8-44.9174.8-176.3178.3-168.700111.1L24 L25 I26 R31 S32L24-E28 WeakPolarHBondContact O-CB 3.41Å; L24-E28 PolarHBondContact O-N 3.45Å; L25-E28 PolarHBondContact O-N 3.34Å; I26-E28 VanDerWaalsContact C-N 3.31Å; I26-E28 PolarHBondContact O-N 3.49Å; E28-R31 PolarHBondContact O-N 3.43Å; E28-S32 PolarHBondContact O-N 3.16Å
29Y97.7Very high97.1Very high154 Ų154104.9 Ų104.960%0.60451%0.507SS*.Hα-helixtrans-63.8-46.6178.5-178.3-102.6000112.1L25 I26 R31 S32 L33L25-Y29 PolarHBondContact O-N 2.96Å; I26-Y29 PolarHBondContact O-N 2.9Å; I26-Y29 VanDerWaalsContact O-N 3.16Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.93Å; Y29-S32 WeakPolarHBondContact O-CB 3.28Å; Y29-S32 PolarHBondContact O-N 3.17Å; Y29-L33 HydrophobicContact CD1-CD1 3.83Å; Y29-L33 HydrophobicContact CD1-CG 4.34Å; Y29-L33 HydrophobicContact CE1-CD1 3.26Å; Y29-L33 HydrophobicContact CE1-CG 3.92Å; Y29-L33 PolarHBondContact O-N 3.15Å
30E98.1Very high96.8Very high116 Ų116106.7 Ų106.754%0.54251%0.514SS..Hα-helixtrans-60.4-40.6176.8-72.9-179.7167.800111.6I26 L33 Q34I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.27Å; I26-E30 PolarHBondContact O-N 3.4Å; E30-L33 PolarHBondContact O-N 3.37Å; E30-Q34 WeakPolarHBondContact O-CB 3.2Å; E30-Q34 PolarHBondContact O-N 3.34Å
31R97.8Very high96.2Very high168 Ų168105.8 Ų105.863%0.63451%0.51SS*.Hα-helixtrans-64.4-40175.5-171-171.6-45.8-135.5-1.1112.4E27 E28 Y29 Q34 F35E27-R31 VanDerWaalsContact O-CB 3.25Å; E27-R31 WeakPolarHBondContact O-CB 3.48Å; E27-R31 PolarHBondContact O-N 3.17Å; E28-R31 PolarHBondContact O-N 3.43Å; Y29-R31 VanDerWaalsContact C-N 3.29Å; Y29-R31 PolarHBondContact O-N 2.93Å; R31-Q34 PolarHBondContact O-N 2.98Å; R31-F35 PolarHBondContact O-N 3.12Å
32S97.6Very high95.5Very high63 Ų63103.8 Ų103.844%0.44151%0.511SS..Hα-helixtrans-63.5-44.8175-1690000111.1E28 Y29 Q34 F35 D36E28-S32 PolarHBondContact O-N 3.16Å; Y29-S32 WeakPolarHBondContact O-CB 3.28Å; Y29-S32 PolarHBondContact O-N 3.17Å; S32-Q34 PolarHBondContact O-N 3.34Å; S32-F35 WeakPolarHBondContact O-CB 3.41Å; S32-F35 PolarHBondContact O-N 2.6Å; S32-D36 PolarHBondContact O-N 3.49Å
33L97.7Very high94.6Very high81 Ų81103.9 Ų103.942%0.42451%0.513SS..Hα-helixtrans-61.3-44.5176.5-77.6178.8000111.9Y29 E30 F35 D36 E37Y29-L33 HydrophobicContact CD1-CD1 3.83Å; Y29-L33 HydrophobicContact CD1-CG 4.34Å; Y29-L33 HydrophobicContact CE1-CD1 3.26Å; Y29-L33 HydrophobicContact CE1-CG 3.92Å; Y29-L33 PolarHBondContact O-N 3.15Å; E30-L33 PolarHBondContact O-N 3.37Å; L33-F35 VanDerWaalsContact C-N 3.29Å; L33-F35 PolarHBondContact O-N 3.36Å; L33-D36 PolarHBondContact O-N 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.07Å; L33-E37 PolarHBondContact O-N 3.2Å
34Q97.8Very high93.5Very high107 Ų107103.7 Ų103.750%0.551%0.514SS..Hα-helixtrans-60.6-41.9177.3-174.3-177.9-10.100111E30 R31 S32 E37 E38E30-Q34 WeakPolarHBondContact O-CB 3.2Å; E30-Q34 PolarHBondContact O-N 3.34Å; R31-Q34 PolarHBondContact O-N 2.98Å; S32-Q34 PolarHBondContact O-N 3.34Å; Q34-E37 PolarHBondContact O-N 3.34Å; Q34-E38 HydrophobicContact CG-CG 4.44Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.27Å; Q34-E38 PolarHBondContact NE2-OE1 3.49Å; Q34-E38 WeakPolarHBondContact O-CB 2.94Å; Q34-E38 VanDerWaalsContact O-CG 3.27Å; Q34-E38 WeakPolarHBondContact O-CG 3.33Å; Q34-E38 PolarHBondContact O-N 2.84Å
35F96.9Very high92.2Very high134 Ų134105.5 Ų105.559%0.58853%0.525SS*.Hα-helixtrans-62.2-44.5175.7176.5-93.6000112.3R31 S32 L33 E37 E38 C39R31-F35 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact O-CB 3.41Å; S32-F35 PolarHBondContact O-N 2.6Å; L33-F35 VanDerWaalsContact C-N 3.29Å; L33-F35 PolarHBondContact O-N 3.36Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.1Å; F35-E38 PolarHBondContact O-N 2.99Å; F35-C39 WeakPolarHBondContact O-CB 3.37Å; F35-C39 PolarHBondContact O-N 3.01Å
36D95.9Very high90.4Very high89 Ų89103.3 Ų103.348%0.47653%0.53SS..Hα-helixtrans-63-41.7178-71.9-18.6000111.4S32 L33 C39 L40S32-D36 PolarHBondContact O-N 3.49Å; L33-D36 PolarHBondContact O-N 3.32Å; D36-C39 PolarHBondContact O-N 3.25Å; D36-L40 WeakPolarHBondContact O-CB 3.48Å; D36-L40 PolarHBondContact O-N 2.93Å
37E95.4Very high88.6Confident120 Ų120104.6 Ų104.656%0.56154%0.537SS*.Hα-helixtrans-63.2-47.5175-179.6176.4-173.800111.7L33 Q34 F35 C39 L40 N41L33-E37 WeakPolarHBondContact O-CB 3.07Å; L33-E37 PolarHBondContact O-N 3.2Å; Q34-E37 PolarHBondContact O-N 3.34Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 3.1Å; E37-C39 VanDerWaalsContact C-N 3.28Å; E37-C39 PolarHBondContact O-N 3.03Å; E37-L40 PolarHBondContact O-N 2.88Å; E37-N41 WeakPolarHBondContact O-CB 3.45Å; E37-N41 VanDerWaalsContact O-CG 3.26Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 3.34Å
38E93.2Very high86.6Confident104 Ų104106.4 Ų106.449%0.48655%0.55SS..Hα-helixtrans-60.1-39.5176.3-75.9174.7-170.700111.6Q34 F35 N41 A42Q34-E38 HydrophobicContact CG-CG 4.44Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.27Å; Q34-E38 PolarHBondContact NE2-OE1 3.49Å; Q34-E38 WeakPolarHBondContact O-CB 2.94Å; Q34-E38 VanDerWaalsContact O-CG 3.27Å; Q34-E38 WeakPolarHBondContact O-CG 3.33Å; Q34-E38 PolarHBondContact O-N 2.84Å; F35-E38 PolarHBondContact O-N 2.99Å; E38-N41 PolarHBondContact O-N 3.45Å; E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 3Å
39C91.1Very high84.5Confident61 Ų61101.9 Ų101.941%0.41254%0.536SS..Hα-helixtrans-64.2-47.1175.6-172.50000111.6F35 D36 E37 N41 A42 M43F35-C39 WeakPolarHBondContact O-CB 3.37Å; F35-C39 PolarHBondContact O-N 3.01Å; D36-C39 PolarHBondContact O-N 3.25Å; E37-C39 VanDerWaalsContact C-N 3.28Å; E37-C39 PolarHBondContact O-N 3.03Å; C39-N41 PolarHBondContact O-N 2.96Å; C39-A42 PolarHBondContact O-N 2.96Å; C39-M43 WeakPolarHBondContact O-CG 3.39Å; C39-M43 PolarHBondContact O-N 2.93Å
40L91.1Very high82.6Confident103 Ų10398 Ų9854%0.53954%0.543SS..Hα-helixtrans-60.5-46.2176.8-176.269.3000111.2D36 E37 A42 M43 L44D36-L40 WeakPolarHBondContact O-CB 3.48Å; D36-L40 PolarHBondContact O-N 2.93Å; E37-L40 PolarHBondContact O-N 2.88Å; L40-A42 PolarHBondContact O-N 3.24Å; L40-M43 WeakPolarHBondContact O-CB 3.17Å; L40-M43 PolarHBondContact O-N 3.19Å; L40-L44 HydrophobicContact CG-CD1 4.47Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.18Å
41N85.6Confident81.1Confident67 Ų6798.2 Ų98.236%0.35855%0.548SS..Hα-helixtrans-61.4-43.5177.8-73.3-26.2000111.3E37 E38 C39 M43 L44 D45E37-N41 WeakPolarHBondContact O-CB 3.45Å; E37-N41 VanDerWaalsContact O-CG 3.26Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 3.34Å; E38-N41 PolarHBondContact O-N 3.45Å; C39-N41 PolarHBondContact O-N 2.96Å; N41-M43 VanDerWaalsContact C-N 3.31Å; N41-M43 PolarHBondContact O-N 2.99Å; N41-L44 CarbonylContact O-C 3.55Å; N41-L44 WeakPolarHBondContact O-CA 3.28Å; N41-L44 WeakPolarHBondContact O-CB 3.34Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-L44 VanDerWaalsContact O-N 3.1Å; N41-D45 VanDerWaalsContact O-CG 3.3Å; N41-D45 PolarHBondContact O-N 2.89Å
42A84.7Confident80.2Confident59 Ų5995.6 Ų95.649%0.48854%0.541SS..Hα-helixtrans-63.6-34.7175.600000112.9E38 C39 L40 D45 G46E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 3Å; C39-A42 PolarHBondContact O-N 2.96Å; L40-A42 PolarHBondContact O-N 3.24Å; A42-D45 PolarHBondContact O-N 3.48Å; A42-G46 PolarHBondContact O-N 3.49Å
43M78.8Confident79.8Confident129 Ų12993.4 Ų93.464%0.63552%0.524SS*.Hα-helixtrans-66.1-39.8172.4-68.7178.576.800111.6C39 L40 N41 L47C39-M43 WeakPolarHBondContact O-CG 3.39Å; C39-M43 PolarHBondContact O-N 2.93Å; L40-M43 WeakPolarHBondContact O-CB 3.17Å; L40-M43 PolarHBondContact O-N 3.19Å; N41-M43 VanDerWaalsContact C-N 3.31Å; N41-M43 PolarHBondContact O-N 2.99Å; M43-L47 WeakPolarHBondContact O-CD1 3.45Å; M43-L47 WeakPolarHBondContact O-CG 3.07Å; M43-L47 PolarHBondContact O-N 3.37Å; M43-L47 VanDerWaalsContact O-N 3.16Å
44L74.8Confident79.4Confident98 Ų9894.8 Ų94.851%0.51353%0.53SS..Hα-helixtrans-67-39.8174.4-68.4174.6000112.2L40 N41 L47L40-L44 HydrophobicContact CG-CD1 4.47Å; L40-L44 WeakPolarHBondContact O-CG 3.39Å; L40-L44 PolarHBondContact O-N 3.18Å; N41-L44 CarbonylContact O-C 3.55Å; N41-L44 WeakPolarHBondContact O-CA 3.28Å; N41-L44 WeakPolarHBondContact O-CB 3.34Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-L44 VanDerWaalsContact O-N 3.1Å; L44-L47 HydrophobicContact CD2-CD1 4.45Å; L44-L47 CarbonylContact O-C 3.35Å; L44-L47 WeakPolarHBondContact O-CA 3.39Å; L44-L47 VanDerWaalsContact O-CB 3.28Å; L44-L47 WeakPolarHBondContact O-CB 3.33Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-L47 VanDerWaalsContact O-N 3.15Å
45D71.1Confident79.1Confident130 Ų13089.7 Ų89.770%0.69551%0.507SS*.Hα-helixtrans-69.6-36177-69.7-22.6000111.7N41 A42 L47 D48N41-D45 VanDerWaalsContact O-CG 3.3Å; N41-D45 PolarHBondContact O-N 2.89Å; A42-D45 PolarHBondContact O-N 3.48Å; D45-L47 PolarHBondContact O-N 2.9Å; D45-D48 PolarHBondContact O-N 3.5Å
46G60.3Low78.9Confident69 Ų6984.1 Ų84.171%0.71148%0.484SS*.Hα-helixtrans-66.6-22.1171.500000113.2A42 D48A42-G46 PolarHBondContact O-N 3.49Å; G46-D48 PolarHBondContact O-N 2.79Å; G46-D48 VanDerWaalsContact O-N 3.17Å
47L59.3Low78.7Confident111 Ų11182.6 Ų82.658%0.58148%0.478SS*.SBendtrans-8362.3163.5-70.6152.9000109M43 L44 D45 A49M43-L47 WeakPolarHBondContact O-CD1 3.45Å; M43-L47 WeakPolarHBondContact O-CG 3.07Å; M43-L47 PolarHBondContact O-N 3.37Å; M43-L47 VanDerWaalsContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD1 4.45Å; L44-L47 CarbonylContact O-C 3.35Å; L44-L47 WeakPolarHBondContact O-CA 3.39Å; L44-L47 VanDerWaalsContact O-CB 3.28Å; L44-L47 WeakPolarHBondContact O-CB 3.33Å; L44-L47 PolarHBondContact O-N 3.39Å; L44-L47 VanDerWaalsContact O-N 3.15Å; D45-L47 PolarHBondContact O-N 2.9Å; L47-A49 HydrophobicContact CB-CB 4.23Å; L47-A49 WeakPolarHBondContact O-CA 3.35Å; L47-A49 WeakPolarHBondContact O-CB 3.39Å; L47-A49 PolarHBondContact O-N 3.48Å
48D55.8Low78.6Confident136 Ų13678.3 Ų78.373%0.72746%0.461SS*.  trans-56.874.4166.9-172.130.5000109.9D45 G46 K52D45-D48 PolarHBondContact O-N 3.5Å; G46-D48 PolarHBondContact O-N 2.79Å; G46-D48 VanDerWaalsContact O-N 3.17Å; D48-K52 PolarHBondContact O-NZ 2.92Å; D48-K52 VanDerWaalsContact O-NZ 3.13Å
49A53.8Low78.4Confident40 Ų4080.7 Ų80.733%0.33147%0.465SS..  trans-136.821.4-157.200000110.9L47 D51 K52L47-A49 HydrophobicContact CB-CB 4.23Å; L47-A49 WeakPolarHBondContact O-CA 3.35Å; L47-A49 WeakPolarHBondContact O-CB 3.39Å; L47-A49 PolarHBondContact O-N 3.48Å; A49-D51 PolarHBondContact O-N 3.1Å; A49-K52 PolarHBondContact O-N 2.95Å
50G57.6Low78.2Confident73 Ų7386.5 Ų86.575%0.75348%0.483SS*.THydrogen-bonded Turntrans-52.2-24.8174.400000113.4
51D66Low78.1Confident121 Ų12184 Ų8465%0.64747%0.47SS*.THydrogen-bonded Turntrans-127.77.8-177.7-92-32.1000116.3A49 R89A49-D51 PolarHBondContact O-N 3.1Å; D51-R89 VanDerWaalsContact CA-NH2 3.35Å; D51-R89 PolarHBondContact O-NH2 2.86Å
52K80.4Confident78.3Confident112 Ų11283.9 Ų83.949%0.48747%0.47SS..PPolyproline II helixtrans-93133.7-179.6-64175.8-170.8147.50111D48 A49 N62D48-K52 PolarHBondContact O-NZ 2.92Å; D48-K52 VanDerWaalsContact O-NZ 3.13Å; A49-K52 PolarHBondContact O-N 2.95Å; K52-N62 HydrophobicContact CB-CB 4.25Å
53I87.8Confident78.6Confident17 Ų1781.6 Ų81.69%0.08745%0.45CS..EExtended strand (participates in β ladder)trans-95.7117.7178-56170.8000108C55 N62 L63 E85 L88 R89 L92I53-C55 PolarHBondContact O-N 3.18Å; I53-N62 CarbonylContact O-C 3.55Å; I53-N62 VanDerWaalsContact O-CA 3.27Å; I53-N62 WeakPolarHBondContact O-CA 3.48Å; I53-L63 HydrophobicContact CB-CB 4.37Å; I53-L63 HydrophobicContact CG2-CD1 3.88Å; I53-L63 PolarHBondContact O-N 3.09Å; I53-E85 WeakPolarHBondContact CD1-O 3.43Å; I53-L88 HydrophobicContact CD1-CB 4.08Å; I53-L88 HydrophobicContact CD1-CD2 3.96Å; I53-L88 HydrophobicContact CD1-CG 3.91Å; I53-R89 HydrophobicContact CD1-CB 3.83Å; I53-R89 HydrophobicContact CG1-CB 4.28Å; I53-L92 HydrophobicContact CG2-CD1 3.64Å
54I89.9Confident79.2Confident110 Ų11077.6 Ų77.656%0.56443%0.433SS*.EExtended strand (participates in β ladder)trans-67133.5175.6-60.3174.2000109P56I54-P56 WeakPolarHBondContact O-CD 3.36Å
55C91.7Very high79.9Confident0 Ų073.9 Ų73.90%041%0.414CS..PPolyproline II helixtrans-65.4119.7178.1175.80000110.7I53 V57 R59 N61 L63 C72I53-C55 PolarHBondContact O-N 3.18Å; C55-V57 PolarHBondContact O-N 3.27Å; C55-R59 VanDerWaalsContact O-CA 3.28Å; C55-R59 WeakPolarHBondContact O-CA 3.4Å; C55-R59 PolarHBondContact O-N 3.08Å; C55-N61 WeakPolarHBondContact CB-O 3.05Å; C55-N61 PolarHBondContact N-O 3.19Å; C55-L63 HydrophobicContact CB-CD2 4Å; C55-L63 HydrophobicContact CB-CG 3.94Å; C55-C72 HydrophobicContact CB-CB 4.17Å; C55-C72 WeakPolarHBondContact CB-SG 3.42Å
56P91.8Very high80.7Confident18 Ų1875.9 Ų75.912%0.11741%0.412CS..THydrogen-bonded Turntrans-73.1-19-173.231.1-36.7000112.9I54 L92 F109 L121I54-P56 WeakPolarHBondContact O-CD 3.36Å; P56-L92 HydrophobicContact CG-CD2 4.23Å; P56-F109 HydrophobicContact CB-CB 3.96Å; P56-F109 HydrophobicContact CB-CD1 3.85Å; P56-F109 HydrophobicContact CB-CD2 3.61Å; P56-F109 HydrophobicContact CB-CE1 4.16Å; P56-F109 HydrophobicContact CB-CE2 3.95Å; P56-F109 HydrophobicContact CB-CG 3.55Å; P56-F109 HydrophobicContact CB-CZ 4.21Å; P56-F109 HydrophobicContact CG-CB 4.21Å; P56-F109 HydrophobicContact CG-CD1 3.92Å; P56-F109 HydrophobicContact CG-CE1 4.36Å; P56-F109 HydrophobicContact CG-CG 3.99Å; P56-L121 HydrophobicContact CG-CD2 4.2Å
57V92.7Very high81.9Confident57 Ų5779.6 Ų79.635%0.34542%0.415SS..THydrogen-bonded Turntrans-76.5-51.4177.3179.80000111.6C55 L76 F109 V111 L121C55-V57 PolarHBondContact O-N 3.27Å; V57-L76 HydrophobicContact CB-CD1 4.39Å; V57-L76 HydrophobicContact CG2-CD1 3.66Å; V57-F109 HydrophobicContact CG2-CB 4.12Å; V57-V111 HydrophobicContact CG2-CG2 4.26Å; V57-L121 HydrophobicContact CG2-CD1 3.97Å
58C92.2Very high83.1Confident29 Ų2978.7 Ų78.720%0.19641%0.408CS..THydrogen-bonded Turntrans-96.2-18.1-17672.20000114.4K60 N61 C74C58-K60 WeakPolarHBondContact O-CG 3.28Å; C58-K60 PolarHBondContact O-N 2.87Å; C58-N61 PolarHBondContact SG-N 3.37Å; C58-C74 HydrophobicContact CB-CB 3.44Å; C58-C74 VanDerWaalsContact CB-CB 3.44Å
59R89.4Confident84.7Confident155 Ų15574 Ų7459%0.58538%0.382SS*.SBendtrans5224.8-178.2-55-177.1-176.9160.6-1.9114.5C55 P107C55-R59 VanDerWaalsContact O-CA 3.28Å; C55-R59 WeakPolarHBondContact O-CA 3.4Å; C55-R59 PolarHBondContact O-N 3.08Å; R59-P107 PolarHBondContact NH2-O 2.93Å
60K87.6Confident86.5Confident182 Ų18272.1 Ų72.179%0.79137%0.367SS*.SBendtrans-128.7-45.2-174-74.5176.4-176.7-176.40112.9C58C58-K60 WeakPolarHBondContact O-CG 3.28Å; C58-K60 PolarHBondContact O-N 2.87Å
61N89.1Confident88.1Confident50 Ų5071.8 Ų71.827%0.26735%0.345SS..SBendtrans-105.7158-176.5-63.4-49.6000110.3C55 C58 C72 Q73C55-N61 WeakPolarHBondContact CB-O 3.05Å; C55-N61 PolarHBondContact N-O 3.19Å; C58-N61 PolarHBondContact SG-N 3.37Å; N61-C72 WeakPolarHBondContact CB-SG 3.34Å; N61-Q73 HydrophobicContact CB-CB 4.39Å
62N90.6Very high89.4Confident66 Ų6666.4 Ų66.435%0.35332%0.317SS..EExtended strand (participates in β ladder)trans-83147.2173.4-62.3-54.5000111.3K52 I53K52-N62 HydrophobicContact CB-CB 4.25Å; I53-N62 CarbonylContact O-C 3.55Å; I53-N62 VanDerWaalsContact O-CA 3.27Å; I53-N62 WeakPolarHBondContact O-CA 3.48Å
63L90.9Very high89.9Confident11 Ų1169.2 Ų69.26%0.05833%0.332CS..EExtended strand (participates in β ladder)trans-71.9148.6164.9-67.3166.7000109.2I53 C55 V70 C72 L76 L88 L92I53-L63 HydrophobicContact CB-CB 4.37Å; I53-L63 HydrophobicContact CG2-CD1 3.88Å; I53-L63 PolarHBondContact O-N 3.09Å; C55-L63 HydrophobicContact CB-CD2 4Å; C55-L63 HydrophobicContact CB-CG 3.94Å; L63-V70 HydrophobicContact CB-CG1 4.37Å; L63-V70 HydrophobicContact CD1-CG1 4.46Å; L63-V70 HydrophobicContact CD2-CG1 3.87Å; L63-V70 HydrophobicContact CG-CG1 4.46Å; L63-C72 HydrophobicContact CD2-CB 3.98Å; L63-L76 HydrophobicContact CD2-CD1 4.32Å; L63-L76 HydrophobicContact CD2-CD2 3.79Å; L63-L88 HydrophobicContact CB-CD2 4.39Å; L63-L88 HydrophobicContact CD1-CD2 4.14Å; L63-L92 HydrophobicContact CD1-CD1 4.24Å
64T90.4Very high90Very high45 Ų4571 Ų7128%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-128.8133173.3-610000108R66 V70 F71T64-R66 HydrophobicContact CG2-CG 4Å; T64-V70 WeakPolarHBondContact O-CA 3.22Å; T64-F71 HydrophobicContact CG2-CE1 3.89Å; T64-F71 HydrophobicContact CG2-CE2 4.13Å; T64-F71 HydrophobicContact CG2-CZ 3.48Å; T64-F71 VanDerWaalsContact CG2-CZ 3.48Å; T64-F71 PolarHBondContact N-O 2.9Å; T64-F71 PolarHBondContact O-N 2.89Å
65V90.3Very high89.9Confident20 Ų2068.9 Ų68.912%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-106.3119173.8-172.30000108.9L69 V70 E85 L88V65-L69 CarbonylContact C-O 3.51Å; V65-L69 VanDerWaalsContact CA-O 3.27Å; V65-L69 WeakPolarHBondContact CA-O 3.5Å; V65-V70 HydrophobicContact CG2-CG2 4.16Å; V65-E85 HydrophobicContact CB-CG 3.61Å; V65-E85 HydrophobicContact CG2-CB 4.46Å; V65-E85 HydrophobicContact CG2-CG 3.7Å; V65-L88 HydrophobicContact CG2-CD2 3.62Å
66R88.1Confident89.8Confident172 Ų17269.3 Ų69.365%0.64935%0.352SS*.EExtended strand (participates in β ladder)trans-138.3133.7172.8-68.8-178.5179.1-175.3-2109.9T64 H68 L69 F71T64-R66 HydrophobicContact CG2-CG 4Å; R66-H68 PolarHBondContact O-N 3.32Å; R66-L69 PolarHBondContact N-O 3.27Å; R66-L69 WeakPolarHBondContact O-CB 3.5Å; R66-L69 PolarHBondContact O-N 2.67Å; R66-F71 HydrophobicContact CB-CE1 4.08Å; R66-F71 HydrophobicContact CG-CE1 4.19Å; R66-F71 HydrophobicContact CG-CZ 4.43Å
67N84.4Confident89.7Confident147 Ų14775.2 Ų75.279%0.78637%0.373SS*.THydrogen-bonded Turntrans5041178.3-56.8-16.8000112.9L69N67-L69 WeakPolarHBondContact O-CD1 3.45Å; N67-L69 PolarHBondContact O-N 3.26Å
68H85.1Confident89.6Confident91 Ų9172.5 Ų72.542%0.42136%0.357SS..THydrogen-bonded Turntrans65.212.7-176.5-40.9-69.7000115.9R66 T80 M83R66-H68 PolarHBondContact O-N 3.32Å; H68-T80 WeakPolarHBondContact CB-O 3.09Å; H68-T80 PolarHBondContact O-N 2.67Å; H68-T80 PolarHBondContact O-OG1 2.82Å; H68-T80 VanDerWaalsContact O-OG1 3.1Å; H68-M83 PolarHBondContact ND1-O 3.28Å
69L88.4Confident89.3Confident37 Ų3774.9 Ų74.919%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-101.7135.5169.3-83.991.2000111.8V65 R66 N67 Y77 I78V65-L69 CarbonylContact C-O 3.51Å; V65-L69 VanDerWaalsContact CA-O 3.27Å; V65-L69 WeakPolarHBondContact CA-O 3.5Å; R66-L69 PolarHBondContact N-O 3.27Å; R66-L69 WeakPolarHBondContact O-CB 3.5Å; R66-L69 PolarHBondContact O-N 2.67Å; N67-L69 WeakPolarHBondContact O-CD1 3.45Å; N67-L69 PolarHBondContact O-N 3.26Å; L69-Y77 HydrophobicContact CD2-CD1 4.3Å; L69-Y77 HydrophobicContact CD2-CD2 4.32Å; L69-Y77 HydrophobicContact CD2-CE1 3.45Å; L69-Y77 VanDerWaalsContact CD2-CE1 3.45Å; L69-Y77 HydrophobicContact CD2-CE2 3.47Å; L69-Y77 VanDerWaalsContact CD2-CE2 3.47Å; L69-Y77 WeakPolarHBondContact CD2-OH 3.4Å; L69-I78 WeakPolarHBondContact CA-O 3.45Å
70V91.6Very high88.9Confident1 Ų168.2 Ų68.21%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-103122.4173.4-173.70000108.4L63 T64 V65 L76 Y77 I78 M83 L88 L135L63-V70 HydrophobicContact CB-CG1 4.37Å; L63-V70 HydrophobicContact CD1-CG1 4.46Å; L63-V70 HydrophobicContact CD2-CG1 3.87Å; L63-V70 HydrophobicContact CG-CG1 4.46Å; T64-V70 WeakPolarHBondContact O-CA 3.22Å; V65-V70 HydrophobicContact CG2-CG2 4.16Å; V70-L76 HydrophobicContact CG1-CD2 4.22Å; V70-Y77 CarbonylContact O-C 3.59Å; V70-Y77 WeakPolarHBondContact O-CA 3.18Å; V70-I78 HydrophobicContact CB-CB 4.41Å; V70-I78 PolarHBondContact N-O 3.38Å; V70-I78 PolarHBondContact O-N 3.39Å; V70-M83 HydrophobicContact CG2-CG 3.91Å; V70-L88 HydrophobicContact CB-CD2 4.48Å; V70-L88 HydrophobicContact CG1-CD2 3.6Å; V70-L88 HydrophobicContact CG2-CD2 4.03Å; V70-L135 HydrophobicContact CG2-CD1 4.37Å
71F92.2Very high88.7Confident66 Ų6667.7 Ų67.729%0.28935%0.351SS..EExtended strand (participates in β ladder)trans-141.2160.2178.163.5-85.9000113.3T64 R66 L76 Y77T64-F71 HydrophobicContact CG2-CE1 3.89Å; T64-F71 HydrophobicContact CG2-CE2 4.13Å; T64-F71 HydrophobicContact CG2-CZ 3.48Å; T64-F71 VanDerWaalsContact CG2-CZ 3.48Å; T64-F71 PolarHBondContact N-O 2.9Å; T64-F71 PolarHBondContact O-N 2.89Å; R66-F71 HydrophobicContact CB-CE1 4.08Å; R66-F71 HydrophobicContact CG-CE1 4.19Å; R66-F71 HydrophobicContact CG-CZ 4.43Å; F71-L76 CarbonylContact C-O 3.59Å; F71-L76 WeakPolarHBondContact CA-O 3.43Å; F71-L76 WeakPolarHBondContact CB-O 3.43Å; F71-Y77 HydrophobicContact CB-CD2 4.01Å
72C92.7Very high88.4Confident9 Ų970.8 Ų70.86%0.06137%0.367CS..  trans-140.1151.2178.4-175.90000110.9C55 N61 L63 C74 G75 L76C55-C72 HydrophobicContact CB-CB 4.17Å; C55-C72 WeakPolarHBondContact CB-SG 3.42Å; N61-C72 WeakPolarHBondContact CB-SG 3.34Å; L63-C72 HydrophobicContact CD2-CB 3.98Å; C72-C74 PolarHBondContact O-N 3.39Å; C72-G75 PolarHBondContact O-N 2.98Å; C72-L76 HydrophobicContact CB-CB 3.95Å; C72-L76 PolarHBondContact N-O 3.5Å
73Q90.8Very high88.2Confident170 Ų17068.2 Ų68.279%0.79435%0.353SS*.THydrogen-bonded Turntrans-63-12.2175.4-61.517938.400114N61 G75N61-Q73 HydrophobicContact CB-CB 4.39Å; Q73-G75 PolarHBondContact O-N 3.49Å
74C90.3Very high88.2Confident56 Ų5670.7 Ų70.738%0.37837%0.369SS..THydrogen-bonded Turntrans-78-3.2171.773.60000114C58 C72C58-C74 HydrophobicContact CB-CB 3.44Å; C58-C74 VanDerWaalsContact CB-CB 3.44Å; C72-C74 PolarHBondContact O-N 3.39Å
75G87.9Confident88.1Confident64 Ų6472.6 Ų72.666%0.6638%0.375SS*.SBendtrans96.94.1-177.300000114.9C72 Q73 Y77C72-G75 PolarHBondContact O-N 2.98Å; Q73-G75 PolarHBondContact O-N 3.49Å; G75-Y77 PolarHBondContact O-N 3.24Å
76L89.9Confident88Confident9 Ų979 Ų795%0.04740%0.403CS..  trans-66.5131.1168.7178.6155000108.9V57 L63 V70 F71 C72 I78 V111 L121V57-L76 HydrophobicContact CB-CD1 4.39Å; V57-L76 HydrophobicContact CG2-CD1 3.66Å; L63-L76 HydrophobicContact CD2-CD1 4.32Å; L63-L76 HydrophobicContact CD2-CD2 3.79Å; V70-L76 HydrophobicContact CG1-CD2 4.22Å; F71-L76 CarbonylContact C-O 3.59Å; F71-L76 WeakPolarHBondContact CA-O 3.43Å; F71-L76 WeakPolarHBondContact CB-O 3.43Å; C72-L76 HydrophobicContact CB-CB 3.95Å; C72-L76 PolarHBondContact N-O 3.5Å; L76-I78 HydrophobicContact CD1-CD1 4.23Å; L76-I78 HydrophobicContact CD2-CD1 3.95Å; L76-I78 HydrophobicContact CD2-CG1 3.99Å; L76-I78 HydrophobicContact CG-CD1 4.09Å; L76-I78 HydrophobicContact CG-CG1 4.24Å; L76-V111 HydrophobicContact CB-CG2 4.36Å; L76-V111 HydrophobicContact CD1-CG2 3.8Å; L76-V111 HydrophobicContact CG-CG2 3.87Å; L76-L121 HydrophobicContact CD1-CD1 4.27Å
77Y90.1Very high88Confident142 Ų14275.2 Ų75.256%0.55739%0.391SS*.EExtended strand (participates in β ladder)trans-148.7118.3178.2-172.1-91.6000108.1L69 V70 F71 G75 T119L69-Y77 HydrophobicContact CD2-CD1 4.3Å; L69-Y77 HydrophobicContact CD2-CD2 4.32Å; L69-Y77 HydrophobicContact CD2-CE1 3.45Å; L69-Y77 VanDerWaalsContact CD2-CE1 3.45Å; L69-Y77 HydrophobicContact CD2-CE2 3.47Å; L69-Y77 VanDerWaalsContact CD2-CE2 3.47Å; L69-Y77 WeakPolarHBondContact CD2-OH 3.4Å; V70-Y77 CarbonylContact O-C 3.59Å; V70-Y77 WeakPolarHBondContact O-CA 3.18Å; F71-Y77 HydrophobicContact CB-CD2 4.01Å; G75-Y77 PolarHBondContact O-N 3.24Å; Y77-T119 WeakPolarHBondContact O-CB 3.42Å; Y77-T119 PolarHBondContact O-OG1 3.27Å
78I89.6Confident88.3Confident0 Ų068.2 Ų68.20%035%0.354CS..EExtended strand (participates in β ladder)trans-136.9124.7-174.9-57.9175.2000108.3L69 V70 L76 T80 T119 L121 L135L69-I78 WeakPolarHBondContact CA-O 3.45Å; V70-I78 HydrophobicContact CB-CB 4.41Å; V70-I78 PolarHBondContact N-O 3.38Å; V70-I78 PolarHBondContact O-N 3.39Å; L76-I78 HydrophobicContact CD1-CD1 4.23Å; L76-I78 HydrophobicContact CD2-CD1 3.95Å; L76-I78 HydrophobicContact CD2-CG1 3.99Å; L76-I78 HydrophobicContact CG-CD1 4.09Å; L76-I78 HydrophobicContact CG-CG1 4.24Å; I78-T80 HydrophobicContact CG2-CG2 3.63Å; I78-T119 WeakPolarHBondContact CA-OG1 3.31Å; I78-T119 WeakPolarHBondContact CG2-O 3.3Å; I78-L121 HydrophobicContact CD1-CB 3.71Å; I78-L135 HydrophobicContact CD1-CD1 4.11Å; I78-L135 HydrophobicContact CG2-CB 3.87Å; I78-L135 HydrophobicContact CG2-CD1 4.15Å
79S86.4Confident88.6Confident80 Ų8066.6 Ų66.656%0.55934%0.344SS*.EExtended strand (participates in β ladder)trans-97.1125.9173.7-178.80000109.4
80T81.6Confident88.7Confident14 Ų1467.1 Ų67.19%0.08635%0.351CS..  trans-138.4141.8-175.3490000109.4H68 I78 M83 L135H68-T80 WeakPolarHBondContact CB-O 3.09Å; H68-T80 PolarHBondContact O-N 2.67Å; H68-T80 PolarHBondContact O-OG1 2.82Å; H68-T80 VanDerWaalsContact O-OG1 3.1Å; I78-T80 HydrophobicContact CG2-CG2 3.63Å; T80-M83 HydrophobicContact CG2-CE 4.23Å; T80-M83 WeakPolarHBondContact OG1-CB 3.37Å; T80-M83 WeakPolarHBondContact OG1-CG 3.34Å; T80-L135 HydrophobicContact CG2-CB 3.88Å; T80-L135 HydrophobicContact CG2-CD1 4.48Å; T80-L135 HydrophobicContact CG2-CD2 4.2Å; T80-L135 HydrophobicContact CG2-CG 4.43Å
81Q82Confident88.7Confident172 Ų17268.9 Ų68.980%0.80436%0.362SS*.THydrogen-bonded Turntrans-75.2135.1177-64.1-178.18.100110.6M83Q81-M83 VanDerWaalsContact C-N 3.27Å; Q81-M83 PolarHBondContact O-N 2.87Å
82D82.4Confident88.7Confident114 Ų11466.3 Ų66.361%0.6135%0.351SS*.THydrogen-bonded Turntrans52.439.2174.8-58.5-40.7000114.7K87D82-K87 PolarHBondContact O-NZ 3.01Å
83M88Confident88.6Confident13 Ų1370.5 Ų70.56%0.06437%0.37CS..  trans-88.4132.9176.5-16861.460.200111.8H68 V70 T80 Q81 K87 L88 L135H68-M83 PolarHBondContact ND1-O 3.28Å; V70-M83 HydrophobicContact CG2-CG 3.91Å; T80-M83 HydrophobicContact CG2-CE 4.23Å; T80-M83 WeakPolarHBondContact OG1-CB 3.37Å; T80-M83 WeakPolarHBondContact OG1-CG 3.34Å; Q81-M83 VanDerWaalsContact C-N 3.27Å; Q81-M83 PolarHBondContact O-N 2.87Å; M83-K87 HydrophobicContact CE-CD 4.45Å; M83-K87 HydrophobicContact SD-CB 4.03Å; M83-K87 HydrophobicContact SD-CD 4.09Å; M83-K87 HydrophobicContact SD-CG 4Å; M83-L88 HydrophobicContact CG-CB 4.45Å; M83-L88 HydrophobicContact SD-CB 4.01Å; M83-L135 HydrophobicContact CE-CD2 3.34Å; M83-L135 HydrophobicContact SD-CD2 4.28Å
84T89.4Confident88.7Confident62 Ų6266.9 Ų66.938%0.3836%0.356SS..  trans-121.5163.9173.266.40000109.6E86 K87 L88T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 2.84Å; T84-K87 PolarHBondContact O-N 3.32Å; T84-K87 WeakPolarHBondContact OG1-CB 3.43Å; T84-K87 PolarHBondContact OG1-N 2.93Å; T84-L88 WeakPolarHBondContact O-CB 3.5Å; T84-L88 PolarHBondContact O-N 3.4Å
85E88.3Confident88.8Confident86 Ų8664.7 Ų64.740%0.40234%0.341SS..Hα-helixtrans-59.6-42.1176.2-63.8-170.1159.800111.3I53 V65 K87 L88 R89I53-E85 WeakPolarHBondContact CD1-O 3.43Å; V65-E85 HydrophobicContact CB-CG 3.61Å; V65-E85 HydrophobicContact CG2-CB 4.46Å; V65-E85 HydrophobicContact CG2-CG 3.7Å; E85-K87 PolarHBondContact O-N 3.07Å; E85-L88 PolarHBondContact O-N 3.16Å; E85-R89 WeakPolarHBondContact O-CB 3.49Å; E85-R89 PolarHBondContact O-N 3.05Å
86E88.1Confident88.9Confident154 Ų15465 Ų6572%0.7233%0.326SS*.Hα-helixtrans-63.4-43178.1-62.1152.7172.800112.4T84 R89 S90T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 2.84Å; E86-R89 PolarHBondContact O-N 2.88Å; E86-S90 PolarHBondContact O-N 3.43Å; E86-S90 PolarHBondContact O-OG 3.4Å
87K89.4Confident89Confident92 Ų9267.7 Ų67.740%0.434%0.343SS..Hα-helixtrans-65.7-44177.3-171.2177.6178.7-1740110.6D82 M83 T84 E85 R89 S90 V91D82-K87 PolarHBondContact O-NZ 3.01Å; M83-K87 HydrophobicContact CE-CD 4.45Å; M83-K87 HydrophobicContact SD-CB 4.03Å; M83-K87 HydrophobicContact SD-CD 4.09Å; M83-K87 HydrophobicContact SD-CG 4Å; T84-K87 PolarHBondContact O-N 3.32Å; T84-K87 WeakPolarHBondContact OG1-CB 3.43Å; T84-K87 PolarHBondContact OG1-N 2.93Å; E85-K87 PolarHBondContact O-N 3.07Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 3.47Å; K87-S90 PolarHBondContact O-N 3.17Å; K87-S90 PolarHBondContact O-OG 2.97Å; K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.42Å; K87-V91 PolarHBondContact O-N 3.31Å
88L90.2Very high89.2Confident1 Ų166.3 Ų66.31%0.00534%0.342CS..Hα-helixtrans-60.5-43.7176178.159.8000111.7I53 L63 V65 V70 M83 T84 E85 V91 L92 L135I53-L88 HydrophobicContact CD1-CB 4.08Å; I53-L88 HydrophobicContact CD1-CD2 3.96Å; I53-L88 HydrophobicContact CD1-CG 3.91Å; L63-L88 HydrophobicContact CB-CD2 4.39Å; L63-L88 HydrophobicContact CD1-CD2 4.14Å; V65-L88 HydrophobicContact CG2-CD2 3.62Å; V70-L88 HydrophobicContact CB-CD2 4.48Å; V70-L88 HydrophobicContact CG1-CD2 3.6Å; V70-L88 HydrophobicContact CG2-CD2 4.03Å; M83-L88 HydrophobicContact CG-CB 4.45Å; M83-L88 HydrophobicContact SD-CB 4.01Å; T84-L88 WeakPolarHBondContact O-CB 3.5Å; T84-L88 PolarHBondContact O-N 3.4Å; E85-L88 PolarHBondContact O-N 3.16Å; L88-V91 PolarHBondContact O-N 3.37Å; L88-L92 HydrophobicContact CD1-CD1 4.03Å; L88-L92 HydrophobicContact CD1-CG 4.35Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.07Å; L88-L135 HydrophobicContact CD1-CD1 3.78Å; L88-L135 HydrophobicContact CD1-CD2 4.33Å
89R90.7Very high89.3Confident57 Ų5767 Ų6722%0.21535%0.345CS..Hα-helixtrans-59.1-54.6176.3179.3-177-61.4-76.1-2.4111.2D51 I53 E85 E86 K87 V91 L92 E93D51-R89 VanDerWaalsContact CA-NH2 3.35Å; D51-R89 PolarHBondContact O-NH2 2.86Å; I53-R89 HydrophobicContact CD1-CB 3.83Å; I53-R89 HydrophobicContact CG1-CB 4.28Å; E85-R89 WeakPolarHBondContact O-CB 3.49Å; E85-R89 PolarHBondContact O-N 3.05Å; E86-R89 PolarHBondContact O-N 2.88Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-R89 PolarHBondContact O-N 3.47Å; R89-V91 VanDerWaalsContact C-N 3.31Å; R89-V91 PolarHBondContact O-N 3.42Å; R89-L92 PolarHBondContact O-N 3.45Å; R89-E93 WeakPolarHBondContact CD-OE1 3.46Å; R89-E93 VanDerWaalsContact CG-CD 3.5Å; R89-E93 HydrophobicContact CG-CG 4.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.3Å; R89-E93 IonicContact NH1-OE1 3.77Å; R89-E93 WeakPolarHBondContact O-CB 3.37Å; R89-E93 WeakPolarHBondContact O-CG 3.2Å; R89-E93 PolarHBondContact O-N 2.91Å
90S90.9Very high89.6Confident48 Ų4865.7 Ų65.734%0.33634%0.336SS..Hα-helixtrans-60.2-39.3-178.860.80000112.6E86 K87 N94E86-S90 PolarHBondContact O-N 3.43Å; E86-S90 PolarHBondContact O-OG 3.4Å; K87-S90 PolarHBondContact O-N 3.17Å; K87-S90 PolarHBondContact O-OG 2.97Å; S90-N94 WeakPolarHBondContact O-CB 3.39Å; S90-N94 PolarHBondContact O-N 3.37Å; S90-N94 PolarHBondContact O-ND2 2.99Å
91V91.7Very high90.1Very high38 Ų3872 Ų7223%0.2336%0.364CS..Hα-helixtrans-61.3-50.6175.41700000110.8K87 L88 R89 T95 L134K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.42Å; K87-V91 PolarHBondContact O-N 3.31Å; L88-V91 PolarHBondContact O-N 3.37Å; R89-V91 VanDerWaalsContact C-N 3.31Å; R89-V91 PolarHBondContact O-N 3.42Å; V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 PolarHBondContact O-N 3.39Å; V91-T95 PolarHBondContact O-OG1 2.95Å; V91-L134 HydrophobicContact CG1-CB 4.25Å; V91-L134 HydrophobicContact CG1-CD2 3.75Å
92L91.9Very high90.5Very high12 Ų1274.8 Ų74.86%0.06337%0.368CS..Hα-helixtrans-63.2-47.1-179.9-71.1169.2000112.3I53 P56 L63 L88 R89 I96 F109 L121 L134I53-L92 HydrophobicContact CG2-CD1 3.64Å; P56-L92 HydrophobicContact CG-CD2 4.23Å; L63-L92 HydrophobicContact CD1-CD1 4.24Å; L88-L92 HydrophobicContact CD1-CD1 4.03Å; L88-L92 HydrophobicContact CD1-CG 4.35Å; L88-L92 HydrophobicContact CG-CD1 4.14Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.07Å; R89-L92 PolarHBondContact O-N 3.45Å; L92-I96 WeakPolarHBondContact O-CB 3.27Å; L92-I96 WeakPolarHBondContact O-CD1 3.36Å; L92-I96 VanDerWaalsContact O-CG1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 3.24Å; L92-F109 HydrophobicContact CD2-CE1 3.95Å; L92-L121 HydrophobicContact CD2-CD2 4.05Å; L92-L134 HydrophobicContact CD2-CD1 4.11Å
93E91.6Very high91.1Very high97 Ų9769.9 Ų69.945%0.45334%0.342SS..Hα-helixtrans-63-47.3-179.5-75.1173.2-174.900111.6R89 I96 T97R89-E93 WeakPolarHBondContact CD-OE1 3.46Å; R89-E93 VanDerWaalsContact CG-CD 3.5Å; R89-E93 HydrophobicContact CG-CG 4.28Å; R89-E93 WeakPolarHBondContact CG-OE1 3.3Å; R89-E93 IonicContact NH1-OE1 3.77Å; R89-E93 WeakPolarHBondContact O-CB 3.37Å; R89-E93 WeakPolarHBondContact O-CG 3.2Å; R89-E93 PolarHBondContact O-N 2.91Å; E93-I96 PolarHBondContact O-N 3.08Å; E93-T97 WeakPolarHBondContact O-CB 3.44Å; E93-T97 PolarHBondContact O-N 2.95Å; E93-T97 PolarHBondContact O-OG1 3.46Å
94N92.3Very high91.2Very high93 Ų9379 Ų7950%0.49738%0.382SS..Hα-helixtrans-62.6-47.2179.2-71.3-24.9000111S90 I96 T97 E98S90-N94 WeakPolarHBondContact O-CB 3.39Å; S90-N94 PolarHBondContact O-N 3.37Å; S90-N94 PolarHBondContact O-ND2 2.99Å; N94-I96 PolarHBondContact O-N 2.89Å; N94-T97 PolarHBondContact O-N 3.32Å; N94-E98 WeakPolarHBondContact O-CB 3.43Å; N94-E98 VanDerWaalsContact O-CG 3.3Å; N94-E98 WeakPolarHBondContact O-CG 3.49Å; N94-E98 PolarHBondContact O-N 2.89Å
95T91.3Very high91.3Very high11 Ų1181.5 Ų81.57%0.06739%0.389CS..Hα-helixtrans-64.2-42.3-178.5-61.30000112.3V91 H99 M123 M132 L134V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 PolarHBondContact O-N 3.39Å; V91-T95 PolarHBondContact O-OG1 2.95Å; T95-H99 WeakPolarHBondContact O-CB 3.43Å; T95-H99 PolarHBondContact O-N 3.24Å; T95-H99 VanDerWaalsContact O-N 3.09Å; T95-M123 HydrophobicContact CG2-CE 3.37Å; T95-M123 HydrophobicContact CG2-SD 3.52Å; T95-M123 VanDerWaalsContact CG2-SD 3.52Å; T95-M132 HydrophobicContact CG2-SD 3.67Å; T95-L134 HydrophobicContact CG2-CD2 3.58Å; T95-L134 WeakPolarHBondContact OG1-CD2 3.47Å
96I91.3Very high91.4Very high70 Ų7084 Ų8436%0.35941%0.405SS..Hα-helixtrans-66.7-41.7176.8-67.1166.8000110.4L92 E93 N94 H99 S100 F109L92-I96 WeakPolarHBondContact O-CB 3.27Å; L92-I96 WeakPolarHBondContact O-CD1 3.36Å; L92-I96 VanDerWaalsContact O-CG1 3.22Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 3.24Å; E93-I96 PolarHBondContact O-N 3.08Å; N94-I96 PolarHBondContact O-N 2.89Å; I96-H99 PolarHBondContact O-N 3Å; I96-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 PolarHBondContact O-N 3.04Å; I96-F109 HydrophobicContact CD1-CE2 4.42Å; I96-F109 HydrophobicContact CD1-CZ 3.97Å; I96-F109 HydrophobicContact CG1-CE2 4.5Å; I96-F109 HydrophobicContact CG1-CZ 3.9Å
97T92.7Very high91.6Very high66 Ų6677 Ų7741%0.40537%0.372SS..Hα-helixtrans-63.8-45.9179.2-58.40000111E93 N94 H99 S100 H101E93-T97 WeakPolarHBondContact O-CB 3.44Å; E93-T97 PolarHBondContact O-N 2.95Å; E93-T97 PolarHBondContact O-OG1 3.46Å; N94-T97 PolarHBondContact O-N 3.32Å; T97-H99 VanDerWaalsContact C-N 3.31Å; T97-H99 PolarHBondContact O-N 3.34Å; T97-S100 WeakPolarHBondContact O-CB 3.47Å; T97-S100 PolarHBondContact O-N 2.94Å; T97-S100 VanDerWaalsContact O-N 3.08Å; T97-S100 PolarHBondContact O-OG 3.43Å; T97-H101 PolarHBondContact O-CD2 3.49Å; T97-H101 VanDerWaalsContact O-CD2 3.26Å; T97-H101 PolarHBondContact O-N 3.48Å
98E92.4Very high91.8Very high113 Ų11378.4 Ų78.453%0.52838%0.381SS..Hα-helixtrans-58.5-41.8175.7-77.4178.9-174.200112.3N94N94-E98 WeakPolarHBondContact O-CB 3.43Å; N94-E98 VanDerWaalsContact O-CG 3.3Å; N94-E98 WeakPolarHBondContact O-CG 3.49Å; N94-E98 PolarHBondContact O-N 2.89Å
99H93.1Very high91.9Very high13 Ų1379.1 Ų79.16%0.0638%0.384CS..Hα-helixtrans-64.3-44.1173.6176.1-93.5000111.7T95 I96 T97 H101 R102 C103 H105 M123 C125 C128 S130T95-H99 WeakPolarHBondContact O-CB 3.43Å; T95-H99 PolarHBondContact O-N 3.24Å; T95-H99 VanDerWaalsContact O-N 3.09Å; I96-H99 PolarHBondContact O-N 3Å; T97-H99 VanDerWaalsContact C-N 3.31Å; T97-H99 PolarHBondContact O-N 3.34Å; H99-H101 PolarHBondContact O-N 3.07Å; H99-R102 PolarHBondContact O-N 3.04Å; H99-C103 VanDerWaalsContact CE1-CB 3.5Å; H99-C103 WeakPolarHBondContact CE1-CB 3.42Å; H99-C103 WeakPolarHBondContact NE2-CB 3.25Å; H99-C103 PolarHBondContact O-N 3.42Å; H99-H105 PolarHBondContact CE1-O 3.09Å; H99-M123 HydrophobicContact CB-CE 4.34Å; H99-C125 WeakPolarHBondContact NE2-CB 3.44Å; H99-C125 PolarHBondContact NE2-SG 3.41Å; H99-C128 PolarHBondContact NE2-SG 3.41Å; H99-S130 PolarHBondContact CD2-OG 3.18Å
100S92.1Very high92Very high53 Ų5378.6 Ų78.637%0.37139%0.387SS..Hα-helixtrans-60.6-28.6-176.979.20000113.5I96 T97 R102 C103I96-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 PolarHBondContact O-N 3.04Å; T97-S100 WeakPolarHBondContact O-CB 3.47Å; T97-S100 PolarHBondContact O-N 2.94Å; T97-S100 VanDerWaalsContact O-N 3.08Å; T97-S100 PolarHBondContact O-OG 3.43Å; S100-R102 PolarHBondContact O-N 3.36Å; S100-C103 WeakPolarHBondContact CA-O 3.5Å
101H92.8Very high91.9Very high148 Ų14879.1 Ų79.169%0.68539%0.388SS*.THydrogen-bonded Turntrans-65.6-21.1174.4-68.9-46.9000113.8T97 H99T97-H101 PolarHBondContact O-CD2 3.49Å; T97-H101 VanDerWaalsContact O-CD2 3.26Å; T97-H101 PolarHBondContact O-N 3.48Å; H99-H101 PolarHBondContact O-N 3.07Å
102R90.6Very high91.6Very high230 Ų23079.9 Ų79.987%0.86839%0.393SS*.THydrogen-bonded Turntrans-112.9-26.6-177-58.2-177.7-174.2-176.73.6112.7H99 S100H99-R102 PolarHBondContact O-N 3.04Å; S100-R102 PolarHBondContact O-N 3.36Å
103C93.6Very high91Very high10 Ų1084.1 Ų84.17%0.06842%0.424CS..  trans-148.1131.4-173.4-174.90000111.5H99 S100 H105 C128H99-C103 VanDerWaalsContact CE1-CB 3.5Å; H99-C103 WeakPolarHBondContact CE1-CB 3.42Å; H99-C103 WeakPolarHBondContact NE2-CB 3.25Å; H99-C103 PolarHBondContact O-N 3.42Å; S100-C103 WeakPolarHBondContact CA-O 3.5Å; C103-H105 VanDerWaalsContact C-N 3.32Å; C103-H105 PolarHBondContact SG-N 2.96Å; C103-C128 HydrophobicContact CB-CB 4.1Å
104F91Very high89.8Confident206 Ų20681.6 Ų81.690%0.90442%0.423SS*.  trans-85.90.1178.6-61.5-77.4000113.9
105H92.1Very high88.2Confident113 Ų11386.9 Ų86.952%0.52345%0.447SS..SBendtrans-80.4148.6175.5-78-91.4000111.3H99 C103 P107 V127H99-H105 PolarHBondContact CE1-O 3.09Å; C103-H105 VanDerWaalsContact C-N 3.32Å; C103-H105 PolarHBondContact SG-N 2.96Å; H105-P107 WeakPolarHBondContact O-CD 3.37Å; H105-V127 HydrophobicContact CB-CG2 4.2Å
106N88.9Confident86.6Confident138 Ų13893.9 Ų93.974%0.73848%0.479SS*.PPolyproline II helixtrans-75.6124.8173.3-71.1-45.6000109.8
107P92.4Very high85.1Confident7 Ų799.4 Ų99.45%0.04550%0.504CS..PPolyproline II helixtrans-68.5155.3174.928.3-32.5000111.4R59 H105 F109 M123 S124 C125R59-P107 PolarHBondContact NH2-O 2.93Å; H105-P107 WeakPolarHBondContact O-CD 3.37Å; P107-F109 HydrophobicContact CB-CE2 4.48Å; P107-F109 HydrophobicContact CG-CE2 3.98Å; P107-F109 HydrophobicContact CG-CZ 4.43Å; P107-M123 HydrophobicContact CB-CG 3.52Å; P107-M123 HydrophobicContact CB-SD 3.74Å; P107-M123 HydrophobicContact CG-CG 4.01Å; P107-M123 HydrophobicContact CG-SD 3.7Å; P107-S124 CarbonylContact C-O 3.52Å; P107-S124 WeakPolarHBondContact CA-O 3.43Å; P107-C125 HydrophobicContact CB-CB 4.49Å
108E93.8Very high84.2Confident123 Ų123102.4 Ų102.458%0.57551%0.513SS*.EExtended strand (participates in β ladder)trans-96.7140.1173.3-170.8172-171.800110.1T110 M123 S124E108-T110 HydrophobicContact CG-CG2 4.44Å; E108-M123 CarbonylContact O-C 3.58Å; E108-M123 WeakPolarHBondContact O-CA 3.36Å; E108-S124 PolarHBondContact N-O 3.02Å; E108-S124 PolarHBondContact O-N 3.31Å
109F94Very high83.8Confident16 Ų1698.9 Ų98.97%0.0750%0.499CS..EExtended strand (participates in β ladder)trans-115128.7179.3-70.1-101.4000110.1P56 V57 L92 I96 P107 L121 L122 M123 L134P56-F109 HydrophobicContact CB-CB 3.96Å; P56-F109 HydrophobicContact CB-CD1 3.85Å; P56-F109 HydrophobicContact CB-CD2 3.61Å; P56-F109 HydrophobicContact CB-CE1 4.16Å; P56-F109 HydrophobicContact CB-CE2 3.95Å; P56-F109 HydrophobicContact CB-CG 3.55Å; P56-F109 HydrophobicContact CB-CZ 4.21Å; P56-F109 HydrophobicContact CG-CB 4.21Å; P56-F109 HydrophobicContact CG-CD1 3.92Å; P56-F109 HydrophobicContact CG-CE1 4.36Å; P56-F109 HydrophobicContact CG-CG 3.99Å; V57-F109 HydrophobicContact CG2-CB 4.12Å; L92-F109 HydrophobicContact CD2-CE1 3.95Å; I96-F109 HydrophobicContact CD1-CE2 4.42Å; I96-F109 HydrophobicContact CD1-CZ 3.97Å; I96-F109 HydrophobicContact CG1-CE2 4.5Å; I96-F109 HydrophobicContact CG1-CZ 3.9Å; P107-F109 HydrophobicContact CB-CE2 4.48Å; P107-F109 HydrophobicContact CG-CE2 3.98Å; P107-F109 HydrophobicContact CG-CZ 4.43Å; F109-L121 HydrophobicContact CB-CD1 4.28Å; F109-L121 HydrophobicContact CD1-CD1 4.3Å; F109-L121 HydrophobicContact CD1-CD2 4.18Å; F109-L121 HydrophobicContact CD1-CG 4.2Å; F109-L122 CarbonylContact C-O 3.6Å; F109-L122 VanDerWaalsContact CA-O 3.27Å; F109-L122 WeakPolarHBondContact CA-O 3.46Å; F109-M123 HydrophobicContact CD1-CB 4.19Å; F109-M123 HydrophobicContact CD1-CG 4.48Å; F109-M123 HydrophobicContact CE1-CB 3.93Å; F109-M123 HydrophobicContact CE1-CG 4.03Å; F109-M123 HydrophobicContact CE2-CG 4.34Å; F109-M123 HydrophobicContact CZ-CB 4.36Å; F109-M123 HydrophobicContact CZ-CG 3.94Å; F109-M123 HydrophobicContact CZ-SD 4.19Å; F109-L134 HydrophobicContact CD1-CD1 4.06Å; F109-L134 HydrophobicContact CE1-CD1 3.56Å
110T91.4Very high83.6Confident46 Ų4699.3 Ų99.328%0.28250%0.504SS..EExtended strand (participates in β ladder)trans-131.5149.1179.653.90000110.4E108 L122E108-T110 HydrophobicContact CG-CG2 4.44Å; T110-L122 PolarHBondContact N-O 3.39Å; T110-L122 PolarHBondContact O-N 3.45Å
111V89.9Confident83.6Confident59 Ų5997 Ų9736%0.35849%0.487SS..EExtended strand (participates in β ladder)trans-92.6128.4171.4-176.90000107.5V57 L76 T119 S120V57-V111 HydrophobicContact CG2-CG2 4.26Å; L76-V111 HydrophobicContact CB-CG2 4.36Å; L76-V111 HydrophobicContact CD1-CG2 3.8Å; L76-V111 HydrophobicContact CG-CG2 3.87Å; V111-T119 HydrophobicContact CG1-CG2 4.45Å; V111-S120 WeakPolarHBondContact CA-O 3.34Å
112T85.4Confident83.5Confident53 Ų5391.5 Ų91.533%0.32546%0.463SS..EExtended strand (participates in β ladder)trans-115.7141.4178.361.10000109.1T119 S120 L122T112-T119 CarbonylContact O-C 3.48Å; T112-T119 VanDerWaalsContact O-CA 3.32Å; T112-T119 WeakPolarHBondContact O-CA 3.32Å; T112-S120 PolarHBondContact N-O 2.95Å; T112-S120 PolarHBondContact O-N 3.17Å; T112-S120 PolarHBondContact OG1-O 3.24Å; T112-L122 HydrophobicContact CG2-CB 4.01Å; T112-L122 HydrophobicContact CG2-CD2 4.09Å
113S78.3Confident83.7Confident102 Ų10280.9 Ų80.971%0.71342%0.423SS*.EExtended strand (participates in β ladder)trans-99.3120.6173.855.50000109.4
114G67.3Low83.7Confident43 Ų4382 Ų8244%0.44343%0.431SS..  trans-71.8175.8172.400000113E116 E118G114-E116 PolarHBondContact O-N 2.96Å; G114-E118 PolarHBondContact N-O 3.43Å
115M57.4Low83.9Confident205 Ų20572.6 Ų72.6100%1.0139%0.391SS*.THydrogen-bonded Turntrans-68.5-14.3179.1-70-176.1173.100113.7
116E57.7Low83.9Confident158 Ų15872.5 Ų72.574%0.73840%0.403SS*.THydrogen-bonded Turntrans-116.532.8-175.7-60.8-171.5172.800113G114 E118G114-E116 PolarHBondContact O-N 2.96Å; E116-E118 PolarHBondContact O-N 3.44Å
117E60.5Low84.1Confident186 Ų18669.8 Ų69.887%0.86939%0.391SS*.SBendtrans630.2-178.1-58.8-177.6166.800115.4T119E117-T119 PolarHBondContact O-N 3.24Å
118E73.6Confident84.2Confident128 Ų12871.9 Ų71.960%0.59841%0.406SS*.  trans-72.4115.7173-64.9-175.216500110.3G114 E116G114-E118 PolarHBondContact N-O 3.43Å; E116-E118 PolarHBondContact O-N 3.44Å
119T84.3Confident84Confident39 Ų3972.4 Ų72.424%0.23941%0.412CS..EExtended strand (participates in β ladder)trans-85.6126.8173.549.50000109.6Y77 I78 V111 T112 E117Y77-T119 WeakPolarHBondContact O-CB 3.42Å; Y77-T119 PolarHBondContact O-OG1 3.27Å; I78-T119 WeakPolarHBondContact CA-OG1 3.31Å; I78-T119 WeakPolarHBondContact CG2-O 3.3Å; V111-T119 HydrophobicContact CG1-CG2 4.45Å; T112-T119 CarbonylContact O-C 3.48Å; T112-T119 VanDerWaalsContact O-CA 3.32Å; T112-T119 WeakPolarHBondContact O-CA 3.32Å; E117-T119 PolarHBondContact O-N 3.24Å
120S88.6Confident83.7Confident23 Ų2373.6 Ų73.616%0.16142%0.422CS..EExtended strand (participates in β ladder)trans-118.2146.6-178.5-76.90000112.3V111 T112 L135V111-S120 WeakPolarHBondContact CA-O 3.34Å; T112-S120 PolarHBondContact N-O 2.95Å; T112-S120 PolarHBondContact O-N 3.17Å; T112-S120 PolarHBondContact OG1-O 3.24Å; S120-L135 CarbonylContact C-O 3.6Å; S120-L135 WeakPolarHBondContact CA-O 3.35Å; S120-L135 WeakPolarHBondContact CB-O 3.47Å; S120-L135 PolarHBondContact OG-O 3.24Å
121L91.2Very high83.7Confident3 Ų380.1 Ų80.12%0.01644%0.442CS..EExtended strand (participates in β ladder)trans-89.5119.9174.1-174.164.3000109.7P56 V57 L76 I78 L92 F109 L134 L135P56-L121 HydrophobicContact CG-CD2 4.2Å; V57-L121 HydrophobicContact CG2-CD1 3.97Å; L76-L121 HydrophobicContact CD1-CD1 4.27Å; I78-L121 HydrophobicContact CD1-CB 3.71Å; L92-L121 HydrophobicContact CD2-CD2 4.05Å; F109-L121 HydrophobicContact CB-CD1 4.28Å; F109-L121 HydrophobicContact CD1-CD1 4.3Å; F109-L121 HydrophobicContact CD1-CD2 4.18Å; F109-L121 HydrophobicContact CD1-CG 4.2Å; L121-L134 HydrophobicContact CB-CB 4.33Å; L121-L134 HydrophobicContact CD2-CD1 4.02Å; L121-L134 HydrophobicContact CG-CD1 4.23Å; L121-L134 PolarHBondContact O-N 3.03Å; L121-L135 HydrophobicContact CB-CB 4.1Å; L121-L135 HydrophobicContact CB-CD1 4.27Å; L121-L135 HydrophobicContact CB-CG 4.23Å; L121-L135 HydrophobicContact CD2-CD1 4.39Å; L121-L135 PolarHBondContact N-O 3.47Å
122L92.4Very high83.6Confident34 Ų3480.9 Ų80.918%0.17844%0.443CS..EExtended strand (participates in β ladder)trans-104.6131.5176.2-179.771.5000109.9F109 T110 T112 W131 I133F109-L122 CarbonylContact C-O 3.6Å; F109-L122 VanDerWaalsContact CA-O 3.27Å; F109-L122 WeakPolarHBondContact CA-O 3.46Å; T110-L122 PolarHBondContact N-O 3.39Å; T110-L122 PolarHBondContact O-N 3.45Å; T112-L122 HydrophobicContact CG2-CB 4.01Å; T112-L122 HydrophobicContact CG2-CD2 4.09Å; L122-W131 HydrophobicContact CD1-CB 4.44Å; L122-W131 HydrophobicContact CD1-CE3 4.1Å; L122-I133 HydrophobicContact CD1-CG1 3.86Å
123M93.5Very high83.8Confident6 Ų683.1 Ų83.13%0.0345%0.451CS..EExtended strand (participates in β ladder)trans-98134.2162-174.3-169.966.900109.1T95 H99 P107 E108 F109 W131 M132 L134T95-M123 HydrophobicContact CG2-CE 3.37Å; T95-M123 HydrophobicContact CG2-SD 3.52Å; T95-M123 VanDerWaalsContact CG2-SD 3.52Å; H99-M123 HydrophobicContact CB-CE 4.34Å; P107-M123 HydrophobicContact CB-CG 3.52Å; P107-M123 HydrophobicContact CB-SD 3.74Å; P107-M123 HydrophobicContact CG-CG 4.01Å; P107-M123 HydrophobicContact CG-SD 3.7Å; E108-M123 CarbonylContact O-C 3.58Å; E108-M123 WeakPolarHBondContact O-CA 3.36Å; F109-M123 HydrophobicContact CD1-CB 4.19Å; F109-M123 HydrophobicContact CD1-CG 4.48Å; F109-M123 HydrophobicContact CE1-CB 3.93Å; F109-M123 HydrophobicContact CE1-CG 4.03Å; F109-M123 HydrophobicContact CE2-CG 4.34Å; F109-M123 HydrophobicContact CZ-CB 4.36Å; F109-M123 HydrophobicContact CZ-CG 3.94Å; F109-M123 HydrophobicContact CZ-SD 4.19Å; M123-W131 CarbonylContact O-C 3.5Å; M123-W131 WeakPolarHBondContact O-CA 3.34Å; M123-M132 HydrophobicContact CE-CB 4.25Å; M123-M132 PolarHBondContact N-O 3.37Å; M123-M132 PolarHBondContact O-N 3.43Å; M123-L134 HydrophobicContact CB-CD1 4.08Å
124S94.3Very high84.1Confident33 Ų3379.5 Ų79.523%0.23142%0.424CS..EExtended strand (participates in β ladder)trans-140.5147.7175.2610000111.3P107 E108 S130P107-S124 CarbonylContact C-O 3.52Å; P107-S124 WeakPolarHBondContact CA-O 3.43Å; E108-S124 PolarHBondContact N-O 3.02Å; E108-S124 PolarHBondContact O-N 3.31Å; S124-S130 CarbonylContact C-O 3.56Å; S124-S130 WeakPolarHBondContact CA-O 3.5Å
125C95.2Very high84.9Confident9 Ų979.5 Ų79.56%0.06141%0.413CS..  trans-132.1121.6175.3-177.50000109.7H99 P107 V127 C128 D129 S130H99-C125 WeakPolarHBondContact NE2-CB 3.44Å; H99-C125 PolarHBondContact NE2-SG 3.41Å; P107-C125 HydrophobicContact CB-CB 4.49Å; C125-V127 PolarHBondContact O-N 3.07Å; C125-C128 VanDerWaalsContact CB-SG 3.59Å; C125-D129 WeakPolarHBondContact O-CA 3.39Å; C125-D129 PolarHBondContact O-N 3.12Å; C125-D129 VanDerWaalsContact O-N 3.12Å; C125-S130 PolarHBondContact N-O 3.06Å
126S91.9Very high86.2Confident112 Ų11273.2 Ų73.278%0.78338%0.384SS*.THydrogen-bonded Turntrans-74.2-8.2-177.7550000114.5
127V93.9Very high87.7Confident80 Ų8068.7 Ų68.749%0.48537%0.365SS..THydrogen-bonded Turntrans-98.7-40.8-175.3179.50000112.1H105 C125H105-V127 HydrophobicContact CB-CG2 4.2Å; C125-V127 PolarHBondContact O-N 3.07Å
128C92.9Very high89.2Confident52 Ų5262.2 Ų62.235%0.35134%0.337SS..THydrogen-bonded Turntrans-105.65.4178.965.30000112.8H99 C103 C125 S130H99-C128 PolarHBondContact NE2-SG 3.41Å; C103-C128 HydrophobicContact CB-CB 4.1Å; C125-C128 VanDerWaalsContact CB-SG 3.59Å; C128-S130 PolarHBondContact O-N 3.27Å; C128-S130 VanDerWaalsContact SG-CB 3.57Å; C128-S130 PolarHBondContact SG-OG 3.22Å
129D90.1Very high90.2Very high134 Ų13458.4 Ų58.472%0.71732%0.322SS*.  trans51.522.6-176.8-62.8-40.4000114C125C125-D129 WeakPolarHBondContact O-CA 3.39Å; C125-D129 PolarHBondContact O-N 3.12Å; C125-D129 VanDerWaalsContact O-N 3.12Å
130S88.1Confident90.5Very high40 Ų4059.6 Ų59.628%0.2833%0.327SS..  trans-80.1138.7177.276.30000110.2H99 S124 C125 C128H99-S130 PolarHBondContact CD2-OG 3.18Å; S124-S130 CarbonylContact C-O 3.56Å; S124-S130 WeakPolarHBondContact CA-O 3.5Å; C125-S130 PolarHBondContact N-O 3.06Å; C128-S130 PolarHBondContact O-N 3.27Å; C128-S130 VanDerWaalsContact SG-CB 3.57Å; C128-S130 PolarHBondContact SG-OG 3.22Å
131W90.3Very high90.7Very high184 Ų18462 Ų6270%0.69734%0.338SS*.EExtended strand (participates in β ladder)trans-142.4148.8170.961.5-84.7000110.3L122 M123 I133L122-W131 HydrophobicContact CD1-CB 4.44Å; L122-W131 HydrophobicContact CD1-CE3 4.1Å; M123-W131 CarbonylContact O-C 3.5Å; M123-W131 WeakPolarHBondContact O-CA 3.34Å; W131-I133 HydrophobicContact CZ3-CG1 4.47Å
132M88.5Confident90.6Very high75 Ų7566.2 Ų66.237%0.36936%0.361SS..EExtended strand (participates in β ladder)trans-151.9131.6-179-174.7178.5-7200110.2T95 M123 L134T95-M132 HydrophobicContact CG2-SD 3.67Å; M123-M132 HydrophobicContact CE-CB 4.25Å; M123-M132 PolarHBondContact N-O 3.37Å; M123-M132 PolarHBondContact O-N 3.43Å; M132-L134 HydrophobicContact CG-CD2 4.44Å; M132-L134 HydrophobicContact SD-CD2 4.17Å
133I88.8Confident90.5Very high99 Ų9968.7 Ų68.751%0.50838%0.375SS..EExtended strand (participates in β ladder)trans-84.6128.1169.4-59.9172.6000107.7L122 W131L122-I133 HydrophobicContact CD1-CG1 3.86Å; W131-I133 HydrophobicContact CZ3-CG1 4.47Å
134L86.3Confident90.2Very high26 Ų2673.9 Ų73.914%0.13640%0.404CS..  trans-102.3-42.9-172.3-69.8168.2000113.2V91 L92 T95 F109 L121 M123 M132V91-L134 HydrophobicContact CG1-CB 4.25Å; V91-L134 HydrophobicContact CG1-CD2 3.75Å; L92-L134 HydrophobicContact CD2-CD1 4.11Å; T95-L134 HydrophobicContact CG2-CD2 3.58Å; T95-L134 WeakPolarHBondContact OG1-CD2 3.47Å; F109-L134 HydrophobicContact CD1-CD1 4.06Å; F109-L134 HydrophobicContact CE1-CD1 3.56Å; L121-L134 HydrophobicContact CB-CB 4.33Å; L121-L134 HydrophobicContact CD2-CD1 4.02Å; L121-L134 HydrophobicContact CG-CD1 4.23Å; L121-L134 PolarHBondContact O-N 3.03Å; M123-L134 HydrophobicContact CB-CD1 4.08Å; M132-L134 HydrophobicContact CG-CD2 4.44Å; M132-L134 HydrophobicContact SD-CD2 4.17Å
135L82.5Confident89.9Confident43 Ų4377.6 Ų77.623%0.22542%0.419CS..  trans-130.60-173.8-60.9-177.2000109.9V70 I78 T80 M83 L88 S120 L121V70-L135 HydrophobicContact CG2-CD1 4.37Å; I78-L135 HydrophobicContact CD1-CD1 4.11Å; I78-L135 HydrophobicContact CG2-CB 3.87Å; I78-L135 HydrophobicContact CG2-CD1 4.15Å; T80-L135 HydrophobicContact CG2-CB 3.88Å; T80-L135 HydrophobicContact CG2-CD1 4.48Å; T80-L135 HydrophobicContact CG2-CD2 4.2Å; T80-L135 HydrophobicContact CG2-CG 4.43Å; M83-L135 HydrophobicContact CE-CD2 3.34Å; M83-L135 HydrophobicContact SD-CD2 4.28Å; L88-L135 HydrophobicContact CD1-CD1 3.78Å; L88-L135 HydrophobicContact CD1-CD2 4.33Å; S120-L135 CarbonylContact C-O 3.6Å; S120-L135 WeakPolarHBondContact CA-O 3.35Å; S120-L135 WeakPolarHBondContact CB-O 3.47Å; S120-L135 PolarHBondContact OG-O 3.24Å; L121-L135 HydrophobicContact CB-CB 4.1Å; L121-L135 HydrophobicContact CB-CD1 4.27Å; L121-L135 HydrophobicContact CB-CG 4.23Å; L121-L135 HydrophobicContact CD2-CD1 4.39Å; L121-L135 PolarHBondContact N-O 3.47Å

Retrieved 135 of 135 residues in 36.9 ms (Link to these results)