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Isoform 2 of Signal recognition particle 19 kDa protein AlphaSync

Canonical isoform description: Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER) (By similarity). Binds directly to 7SL RNA (By similarity). Mediates binding of SRP54 to the SRP complex (By similarity).

AlphaFold DB , UniProt , Accession P09132-2 (canonical: P09132), Species HUMAN (Homo sapiens, Human), Gene SRP19, Length 110 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
1M37.1Very low61.4Low248 Ų24897.7 Ų97.7100%1.22262%0.623SS**  0105.80-76-130.4-147.800108.3C3M1-C3 PolarHBondContact O-N 3.21Å
2A42.6Very low63.4Low106 Ų106100.1 Ų100.188%0.87662%0.62SS**  trans-77.6102.7173.100000107.9A4A2-A4 PolarHBondContact O-N 3.19Å; A2-A4 VanDerWaalsContact O-N 3.15Å
3C42.7Very low64.9Low125 Ų125102 Ų10285%0.84562%0.624SS**  trans-59.4116.3168.1-150.30000106.4M1 A5M1-C3 PolarHBondContact O-N 3.21Å; C3-A5 PolarHBondContact O-N 3.15Å
4A55.8Low66.4Low92 Ų92105.4 Ų105.476%0.7662%0.62SS**  trans-66.491.8174.900000107.3A2 A6A2-A4 PolarHBondContact O-N 3.19Å; A2-A4 VanDerWaalsContact O-N 3.15Å; A4-A6 PolarHBondContact O-N 3Å
5A59.2Low67.9Low82 Ų8298.9 Ų98.968%0.67858%0.581SS**  trans-47.7127.6170.300000107.3C3 R7C3-A5 PolarHBondContact O-N 3.15Å; A5-R7 PolarHBondContact O-N 3.27Å
6A59.9Low69.3Low103 Ų10395.1 Ų95.185%0.85156%0.557SS**  trans-56.6101.7-178.600000108.3A4 S8A4-A6 PolarHBondContact O-N 3Å; A6-S8 PolarHBondContact O-N 3.5Å
7R70.7Confident70.6Confident163 Ų16392.1 Ų92.162%0.61554%0.541SS*.  trans-61.8123.8-178.5-73.2-170.6-177.3116.3-1.4108.9A5 D11 R14A5-R7 PolarHBondContact O-N 3.27Å; R7-D11 VanDerWaalsContact C-OD2 3.32Å; R7-D11 WeakPolarHBondContact CA-OD2 3.19Å; R7-D11 VanDerWaalsContact CB-OD2 3.23Å; R7-D11 WeakPolarHBondContact CB-OD2 3.27Å; R7-R14 HydrophobicContact CB-CG 4.37Å
8S75.4Confident71.7Confident24 Ų2487.7 Ų87.717%0.16852%0.515CS..  trans-62.5143.9-177.684.90000109A6 A10 D11 R14A6-S8 PolarHBondContact O-N 3.5Å; S8-A10 PolarHBondContact O-N 2.83Å; S8-A10 VanDerWaalsContact O-N 3.12Å; S8-A10 PolarHBondContact OG-N 2.81Å; S8-D11 PolarHBondContact N-OD2 3.33Å; S8-D11 VanDerWaalsContact O-CB 3.27Å; S8-D11 WeakPolarHBondContact O-CB 3.23Å; S8-D11 PolarHBondContact O-N 2.89Å; S8-D11 PolarHBondContact OG-N 3.15Å; S8-D11 PolarHBondContact OG-OD1 2.61Å; S8-R14 VanDerWaalsContact O-CG 3.28Å; S8-R14 WeakPolarHBondContact O-CG 3.22Å
9P72.6Confident72.8Confident37 Ų3784.4 Ų84.424%0.2449%0.493CS..THydrogen-bonded Turntrans-60.6-18.6172.5-20.932.2000113.2D11 K87P9-D11 VanDerWaalsContact C-N 3.32Å; P9-K87 HydrophobicContact CB-CB 3.81Å
10A75.8Confident73.8Confident32 Ų3280.5 Ų80.526%0.26447%0.471SS..THydrogen-bonded Turntrans-78-12.3173.200000113.6S8 Q12 F15 E89S8-A10 PolarHBondContact O-N 2.83Å; S8-A10 VanDerWaalsContact O-N 3.12Å; S8-A10 PolarHBondContact OG-N 2.81Å; A10-Q12 PolarHBondContact O-N 3.26Å; A10-F15 WeakPolarHBondContact O-CE1 3.28Å; A10-E89 HydrophobicContact CB-CB 4.07Å
11D83.8Confident74.7Confident63 Ų6376.9 Ų76.934%0.33745%0.45SS..SBendtrans-63.9133.1172.7-62.9-19.7000109.1R7 S8 P9 D13 R14 F15R7-D11 VanDerWaalsContact C-OD2 3.32Å; R7-D11 WeakPolarHBondContact CA-OD2 3.19Å; R7-D11 VanDerWaalsContact CB-OD2 3.23Å; R7-D11 WeakPolarHBondContact CB-OD2 3.27Å; S8-D11 PolarHBondContact N-OD2 3.33Å; S8-D11 VanDerWaalsContact O-CB 3.27Å; S8-D11 WeakPolarHBondContact O-CB 3.23Å; S8-D11 PolarHBondContact O-N 2.89Å; S8-D11 PolarHBondContact OG-N 3.15Å; S8-D11 PolarHBondContact OG-OD1 2.61Å; P9-D11 VanDerWaalsContact C-N 3.32Å; D11-D13 PolarHBondContact O-N 2.79Å; D11-R14 HydrophobicContact CB-CG 4.27Å; D11-R14 WeakPolarHBondContact O-CA 3.2Å; D11-R14 WeakPolarHBondContact O-CB 3.18Å; D11-R14 PolarHBondContact O-N 3.12Å; D11-F15 WeakPolarHBondContact O-CD1 3.27Å
12Q85.1Confident77.4Confident126 Ų12667.3 Ų67.359%0.58940%0.401SS*.G310 helixtrans-55.6-28-178.1-69.6-175.42.100112.8A10 R14 F15 F61 R83A10-Q12 PolarHBondContact O-N 3.26Å; Q12-R14 VanDerWaalsContact C-N 3.25Å; Q12-R14 PolarHBondContact O-N 3.36Å; Q12-F15 HydrophobicContact CG-CE2 4.48Å; Q12-F15 HydrophobicContact CG-CZ 4.36Å; Q12-F15 WeakPolarHBondContact O-CB 3.31Å; Q12-F15 PolarHBondContact O-N 2.94Å; Q12-F61 HydrophobicContact CB-CE1 3.95Å; Q12-F61 HydrophobicContact CB-CZ 4.07Å; Q12-F61 HydrophobicContact CG-CE1 3.97Å; Q12-F61 HydrophobicContact CG-CZ 4.46Å; Q12-R83 PolarHBondContact O-NH2 2.87Å
13D83.6Confident79.7Confident125 Ų12564 Ų6467%0.66837%0.368SS*.G310 helixtrans-66.3-23175.4-73.7-19.9000113.7D11 R83D11-D13 PolarHBondContact O-N 2.79Å; D13-R83 VanDerWaalsContact CA-NH2 3.33Å; D13-R83 PolarHBondContact O-NH2 2.86Å
14R85.4Confident82Confident149 Ų14958.3 Ų58.356%0.56233%0.329SS*.G310 helixtrans-90.8-8.5178.4-62.2-60.9-62.4-108.80.1113.6R7 S8 D11 Q12R7-R14 HydrophobicContact CB-CG 4.37Å; S8-R14 VanDerWaalsContact O-CG 3.28Å; S8-R14 WeakPolarHBondContact O-CG 3.22Å; D11-R14 HydrophobicContact CB-CG 4.27Å; D11-R14 WeakPolarHBondContact O-CA 3.2Å; D11-R14 WeakPolarHBondContact O-CB 3.18Å; D11-R14 PolarHBondContact O-N 3.12Å; Q12-R14 VanDerWaalsContact C-N 3.25Å; Q12-R14 PolarHBondContact O-N 3.36Å
15F89.5Confident83.8Confident9 Ų956.4 Ų56.44%0.03931%0.306CS..SBendtrans-60.1148176.7-72.218.9000110.4A10 D11 Q12 N59 F61 R83 V84 Q85A10-F15 WeakPolarHBondContact O-CE1 3.28Å; D11-F15 WeakPolarHBondContact O-CD1 3.27Å; Q12-F15 HydrophobicContact CG-CE2 4.48Å; Q12-F15 HydrophobicContact CG-CZ 4.36Å; Q12-F15 WeakPolarHBondContact O-CB 3.31Å; Q12-F15 PolarHBondContact O-N 2.94Å; F15-N59 WeakPolarHBondContact CZ-ND2 3.4Å; F15-F61 AromaticContact CD2-CD1 3.89Å; F15-F61 HydrophobicContact CD2-CD1 3.89Å; F15-F61 AromaticContact CD2-CE1 3.44Å; F15-F61 HydrophobicContact CD2-CE1 3.44Å; F15-F61 VanDerWaalsContact CD2-CE1 3.44Å; F15-F61 AromaticContact CE2-CD1 3.96Å; F15-F61 HydrophobicContact CE2-CD1 3.96Å; F15-F61 AromaticContact CE2-CE1 3.76Å; F15-F61 HydrophobicContact CE2-CE1 3.76Å; F15-F61 HydrophobicContact CG-CE1 4.3Å; F15-R83 HydrophobicContact CB-CB 4.13Å; F15-R83 HydrophobicContact CD2-CB 4.32Å; F15-R83 PolarHBondContact O-NH1 2.9Å; F15-R83 PolarHBondContact O-NH2 3.28Å; F15-V84 CarbonylContact C-O 3.58Å; F15-V84 WeakPolarHBondContact CA-O 3.29Å; F15-V84 WeakPolarHBondContact CB-O 3.42Å; F15-Q85 HydrophobicContact CD1-CB 3.98Å; F15-Q85 HydrophobicContact CD1-CG 4.03Å; F15-Q85 HydrophobicContact CD2-CB 4.14Å; F15-Q85 HydrophobicContact CE1-CB 3.65Å; F15-Q85 HydrophobicContact CE1-CG 3.52Å; F15-Q85 HydrophobicContact CE2-CB 3.82Å; F15-Q85 HydrophobicContact CG-CB 4.24Å; F15-Q85 HydrophobicContact CZ-CB 3.59Å; F15-Q85 HydrophobicContact CZ-CG 3.83Å
16I88.9Confident85.4Confident37 Ų3758 Ų5819%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-72.5149.5177.260.5158000110.2I18 R83 V84 L86 H101 L104I16-I18 HydrophobicContact CD1-CD1 3.98Å; I16-I18 HydrophobicContact CD1-CG1 4.02Å; I16-R83 VanDerWaalsContact O-CA 3.28Å; I16-R83 WeakPolarHBondContact O-CA 2.91Å; I16-V84 HydrophobicContact CD1-CB 4.2Å; I16-V84 HydrophobicContact CG1-CB 3.8Å; I16-V84 VanDerWaalsContact CG1-O 3.28Å; I16-V84 WeakPolarHBondContact CG1-O 3.35Å; I16-V84 PolarHBondContact N-O 2.73Å; I16-V84 PolarHBondContact O-N 3.24Å; I16-V84 VanDerWaalsContact O-N 3.08Å; I16-L86 HydrophobicContact CD1-CD1 3.78Å; I16-L86 HydrophobicContact CD1-CD2 4.11Å; I16-L86 HydrophobicContact CD1-CG 3.81Å; I16-L86 HydrophobicContact CG1-CD1 4.24Å; I16-L86 HydrophobicContact CG1-CG 4.01Å; I16-L86 HydrophobicContact CG2-CD1 3.71Å; I16-L86 HydrophobicContact CG2-CG 4.07Å; I16-H101 HydrophobicContact CD1-CB 4.4Å; I16-L104 HydrophobicContact CD1-CD1 3.87Å
17C91.4Very high87Confident44 Ų4454.1 Ų54.130%0.29726%0.262SS..EExtended strand (participates in β ladder)trans-95.3129.2172.1-60.70000110.2Y19 R81 R83C17-Y19 HydrophobicContact CB-CE2 4.35Å; C17-R81 HydrophobicContact CB-CG 4.15Å; C17-R83 PolarHBondContact SG-NH1 3.03Å
18I91.6Very high88.1Confident14 Ų1449.8 Ų49.87%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-119.6123.1169.2-52.9174.2000107.6I16 Y22 I49 V82 V84 L104I16-I18 HydrophobicContact CD1-CD1 3.98Å; I16-I18 HydrophobicContact CD1-CG1 4.02Å; I18-Y22 HydrophobicContact CG2-CD2 4.42Å; I18-I49 HydrophobicContact CG2-CG2 4.16Å; I18-V82 HydrophobicContact CB-CB 4.29Å; I18-V82 PolarHBondContact N-O 2.82Å; I18-V82 PolarHBondContact O-N 2.92Å; I18-V84 HydrophobicContact CD1-CB 4.42Å; I18-V84 HydrophobicContact CD1-CG2 3.61Å; I18-V84 HydrophobicContact CG1-CG2 4.43Å; I18-L104 HydrophobicContact CD1-CD1 3.3Å
19Y92.4Very high88.9Confident25 Ų2554 Ų5410%0.09827%0.273CS..  trans-103.2145.2171.1-72.5-81.7000109.2C17 A21 Y22 M67 Y68 R81C17-Y19 HydrophobicContact CB-CE2 4.35Å; Y19-A21 PolarHBondContact O-N 2.95Å; Y19-A21 VanDerWaalsContact O-N 3.14Å; Y19-Y22 HydrophobicContact CD2-CE1 4.25Å; Y19-Y22 HydrophobicContact CD2-CE2 4.08Å; Y19-Y22 AromaticContact CD2-CZ 3.69Å; Y19-Y22 WeakPolarHBondContact CD2-OH 3.33Å; Y19-Y22 VanDerWaalsContact O-CB 3.29Å; Y19-Y22 WeakPolarHBondContact O-CB 3.39Å; Y19-Y22 PolarHBondContact O-N 3.29Å; Y19-M67 WeakPolarHBondContact CE1-O 3.4Å; Y19-M67 PolarHBondContact OH-O 3.07Å; Y19-Y68 HydrophobicContact CD1-CD2 4.2Å; Y19-Y68 HydrophobicContact CD1-CG 4.26Å; Y19-Y68 AromaticContact CD2-CD2 3.6Å; Y19-Y68 HydrophobicContact CD2-CD2 3.6Å; Y19-Y68 HydrophobicContact CD2-CE2 4.24Å; Y19-Y68 HydrophobicContact CD2-CG 4.36Å; Y19-Y68 HydrophobicContact CE1-CD2 4.4Å; Y19-Y68 AromaticContact CE2-CD2 3.85Å; Y19-Y68 HydrophobicContact CE2-CD2 3.85Å; Y19-Y68 AromaticContact CG-CD2 3.75Å; Y19-Y68 HydrophobicContact CG-CD2 3.75Å; Y19-Y68 HydrophobicContact CG-CG 4.04Å; Y19-R81 HydrophobicContact CD1-CB 4.15Å; Y19-R81 HydrophobicContact CD1-CG 4.3Å; Y19-R81 HydrophobicContact CE1-CB 3.78Å; Y19-R81 HydrophobicContact CE1-CG 3.92Å; Y19-R81 HydrophobicContact CE2-CG 4.25Å; Y19-R81 WeakPolarHBondContact OH-CD 3.42Å
20P92.6Very high89.8Confident6 Ų655.9 Ų55.94%0.03929%0.292CS..G310 helixtrans-58.1-31.4179.4-21.230.3000113.6Y22 L23 N24 P44 A46 I49 G80P20-Y22 PolarHBondContact O-N 2.88Å; P20-L23 PolarHBondContact O-N 3.12Å; P20-N24 PolarHBondContact O-N 3.28Å; P20-P44 HydrophobicContact CB-CG 4.26Å; P20-P44 WeakPolarHBondContact CB-O 3.49Å; P20-P44 VanDerWaalsContact O-CG 3.28Å; P20-P44 WeakPolarHBondContact O-CG 3.26Å; P20-A46 HydrophobicContact CG-CB 3.83Å; P20-I49 HydrophobicContact CB-CD1 4.06Å; P20-I49 HydrophobicContact CG-CD1 4.19Å; P20-G80 WeakPolarHBondContact CD-O 3.32Å
21A92.5Very high90.6Very high5 Ų558 Ų584%0.04130%0.296CS..G310 helixtrans-54.1-25.3173.900000114.3Y19 L23 K27 R33 Y68Y19-A21 PolarHBondContact O-N 2.95Å; Y19-A21 VanDerWaalsContact O-N 3.14Å; A21-L23 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 3.3Å; A21-K27 HydrophobicContact CB-CD 3.69Å; A21-R33 WeakPolarHBondContact O-CA 3.35Å; A21-Y68 HydrophobicContact CB-CD1 3.7Å; A21-Y68 HydrophobicContact CB-CE1 4.07Å; A21-Y68 HydrophobicContact CB-CG 4.46Å
22Y93.1Very high91Very high47 Ų4755 Ų5518%0.18428%0.28CS..G310 helixtrans-69.2-30.7179.7-62.8-9.3000112.5I18 Y19 P20 G32 R34 Y68I18-Y22 HydrophobicContact CG2-CD2 4.42Å; Y19-Y22 HydrophobicContact CD2-CE1 4.25Å; Y19-Y22 HydrophobicContact CD2-CE2 4.08Å; Y19-Y22 AromaticContact CD2-CZ 3.69Å; Y19-Y22 WeakPolarHBondContact CD2-OH 3.33Å; Y19-Y22 VanDerWaalsContact O-CB 3.29Å; Y19-Y22 WeakPolarHBondContact O-CB 3.39Å; Y19-Y22 PolarHBondContact O-N 3.29Å; P20-Y22 PolarHBondContact O-N 2.88Å; Y22-G32 VanDerWaalsContact CD1-O 3.24Å; Y22-G32 WeakPolarHBondContact CD1-O 3.42Å; Y22-R34 HydrophobicContact CD1-CG 3.83Å; Y22-R34 HydrophobicContact CD2-CG 4.33Å; Y22-R34 HydrophobicContact CE1-CG 4.38Å; Y22-R34 HydrophobicContact CG-CG 3.78Å; Y22-R34 PolarHBondContact O-N 2.82Å; Y22-Y68 HydrophobicContact CE1-CD2 4.34Å; Y22-Y68 HydrophobicContact CE1-CE1 4.43Å; Y22-Y68 AromaticContact CE1-CE2 3.74Å; Y22-Y68 HydrophobicContact CE1-CE2 3.74Å; Y22-Y68 AromaticContact CE1-CZ 3.79Å
23L91.9Very high91.3Very high36 Ų3650.4 Ų50.419%0.18826%0.257CS..THydrogen-bonded Turntrans-103.2-6.3-175.1-55.8177.5000112.8P20 A21 N25 I35 A40 V41 P44 I49P20-L23 PolarHBondContact O-N 3.12Å; A21-L23 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 3.3Å; L23-N25 PolarHBondContact O-N 3.38Å; L23-I35 HydrophobicContact CB-CD1 4.33Å; L23-I35 HydrophobicContact CD2-CD1 3.59Å; L23-I35 HydrophobicContact CD2-CG1 4.28Å; L23-I35 HydrophobicContact CD2-CG2 4.38Å; L23-A40 WeakPolarHBondContact O-CA 3.12Å; L23-A40 WeakPolarHBondContact O-CB 3.34Å; L23-V41 HydrophobicContact CB-CG2 4.36Å; L23-V41 PolarHBondContact O-N 2.96Å; L23-P44 HydrophobicContact CB-CG 3.99Å; L23-I49 HydrophobicContact CD1-CD1 3.74Å; L23-I49 HydrophobicContact CD1-CG1 3.84Å
24N91.9Very high91.6Very high5 Ų550 Ų503%0.02725%0.246CC..BIsolated β-bridgetrans-78.5120.4-174.2-167-25.6000112P20 K26 K27 R33 V41 N43 P44P20-N24 PolarHBondContact O-N 3.28Å; N24-K26 VanDerWaalsContact C-N 3.3Å; N24-K26 PolarHBondContact O-N 2.77Å; N24-K26 WeakPolarHBondContact OD1-CB 3.49Å; N24-K26 PolarHBondContact OD1-N 3.41Å; N24-K27 HydrophobicContact CB-CB 4.49Å; N24-K27 HydrophobicContact CB-CD 4.37Å; N24-K27 HydrophobicContact CB-CG 4.31Å; N24-K27 PolarHBondContact O-N 3.31Å; N24-R33 WeakPolarHBondContact O-CD 3.31Å; N24-V41 CarbonylContact C-O 3.57Å; N24-V41 WeakPolarHBondContact CA-O 3.31Å; N24-N43 PolarHBondContact ND2-OD1 2.8Å; N24-P44 HydrophobicContact CB-CG 4.06Å
25N92.6Very high91.8Very high52 Ų5243.6 Ų43.628%0.27822%0.223SC..THydrogen-bonded Turntrans-71.2-20.1178.968.410.4000114L23 K27 I37 A40 V41 E42L23-N25 PolarHBondContact O-N 3.38Å; N25-K27 VanDerWaalsContact C-N 3.26Å; N25-K27 PolarHBondContact O-N 2.99Å; N25-I37 HydrophobicContact CB-CG2 4.49Å; N25-A40 HydrophobicContact CB-CB 3.56Å; N25-V41 PolarHBondContact N-O 3.38Å; N25-E42 PolarHBondContact ND2-N 3.21Å; N25-E42 WeakPolarHBondContact OD1-CA 3.36Å
26K93.1Very high91.8Very high117 Ų11746.7 Ų46.751%0.50924%0.244SC..THydrogen-bonded Turntrans-79-8.1175.6-66-174.9172.31640113.3N24 E42 N43N24-K26 VanDerWaalsContact C-N 3.3Å; N24-K26 PolarHBondContact O-N 2.77Å; N24-K26 WeakPolarHBondContact OD1-CB 3.49Å; N24-K26 PolarHBondContact OD1-N 3.41Å; K26-E42 HydrophobicContact CD-CG 4.33Å; K26-E42 WeakPolarHBondContact CE-OE1 3.31Å; K26-E42 IonicContact NZ-OE1 2.6Å; K26-E42 PolarHBondContact NZ-OE1 3.12Å; K26-N43 PolarHBondContact NZ-ND2 2.99Å
27K92.4Very high91.9Very high21 Ų2149.9 Ų49.99%0.09126%0.26CS..SBendtrans-100.8140.6177.8-70.6-173.4-176.7-71.90111.7A21 N24 N25 E31 R33 E71A21-K27 HydrophobicContact CB-CD 3.69Å; N24-K27 HydrophobicContact CB-CB 4.49Å; N24-K27 HydrophobicContact CB-CD 4.37Å; N24-K27 HydrophobicContact CB-CG 4.31Å; N24-K27 PolarHBondContact O-N 3.31Å; N25-K27 VanDerWaalsContact C-N 3.26Å; N25-K27 PolarHBondContact O-N 2.99Å; K27-E31 HydrophobicContact CB-CB 3.98Å; K27-E31 HydrophobicContact CD-CB 4.37Å; K27-E31 HydrophobicContact CG-CB 4.22Å; K27-R33 HydrophobicContact CB-CB 4.37Å; K27-R33 WeakPolarHBondContact O-CB 3.39Å; K27-R33 WeakPolarHBondContact O-CD 3.37Å; K27-R33 PolarHBondContact O-NE 2.98Å; K27-E71 WeakPolarHBondContact CE-OE2 3.37Å; K27-E71 VanDerWaalsContact NZ-CD 3.31Å; K27-E71 IonicContact NZ-OE1 3.18Å; K27-E71 PolarHBondContact NZ-OE1 2.82Å; K27-E71 IonicContact NZ-OE2 2.68Å; K27-E71 PolarHBondContact NZ-OE2 3.26Å
28T93.8Very high91.9Very high72 Ų7253.1 Ų53.144%0.44228%0.284SS..  trans-72.5167.5168.3630000111.1A30 E31 G32 R33T28-A30 PolarHBondContact O-N 2.82Å; T28-E31 WeakPolarHBondContact CB-OE2 3.45Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.28Å; T28-E31 PolarHBondContact N-OE2 3.47Å; T28-E31 PolarHBondContact O-N 2.94Å; T28-E31 VanDerWaalsContact OG1-CG 3.26Å; T28-E31 WeakPolarHBondContact OG1-CG 3.45Å; T28-E31 PolarHBondContact OG1-N 3.05Å; T28-E31 PolarHBondContact OG1-OE2 3.02Å; T28-G32 PolarHBondContact O-N 2.88Å; T28-G32 VanDerWaalsContact O-N 3.15Å; T28-R33 WeakPolarHBondContact O-CB 3.28Å; T28-R33 PolarHBondContact O-N 2.84Å
29I92.1Very high91.7Very high112 Ų11257.2 Ų57.257%0.57430%0.301SS*.THydrogen-bonded Turntrans-60.9-36.4173.6-60.5175.3000110.4G32I29-G32 PolarHBondContact O-N 2.97Å
30A93.5Very high91.6Very high77 Ų7756.6 Ų56.664%0.63630%0.301SS*.THydrogen-bonded Turntrans-64-41.6176.500000111.8T28 G32 R70T28-A30 PolarHBondContact O-N 2.82Å; A30-G32 PolarHBondContact O-N 2.83Å; A30-R70 WeakPolarHBondContact O-CD 3.25Å; A30-R70 PolarHBondContact O-NH1 3.47Å
31E92.4Very high91.5Very high76 Ų7660 Ų6036%0.35532%0.321SS..THydrogen-bonded Turntrans-73.5-9.3177-69.5166.8129.500113.8K27 T28K27-E31 HydrophobicContact CB-CB 3.98Å; K27-E31 HydrophobicContact CD-CB 4.37Å; K27-E31 HydrophobicContact CG-CB 4.22Å; T28-E31 WeakPolarHBondContact CB-OE2 3.45Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.28Å; T28-E31 PolarHBondContact N-OE2 3.47Å; T28-E31 PolarHBondContact O-N 2.94Å; T28-E31 VanDerWaalsContact OG1-CG 3.26Å; T28-E31 WeakPolarHBondContact OG1-CG 3.45Å; T28-E31 PolarHBondContact OG1-N 3.05Å; T28-E31 PolarHBondContact OG1-OE2 3.02Å
32G91.5Very high91.5Very high0 Ų065.6 Ų65.60%035%0.347CS..THydrogen-bonded Turntrans125.5-3.9168.400000115.8Y22 T28 I29 A30 R34Y22-G32 VanDerWaalsContact CD1-O 3.24Å; Y22-G32 WeakPolarHBondContact CD1-O 3.42Å; T28-G32 PolarHBondContact O-N 2.88Å; T28-G32 VanDerWaalsContact O-N 3.15Å; I29-G32 PolarHBondContact O-N 2.97Å; A30-G32 PolarHBondContact O-N 2.83Å; G32-R34 WeakPolarHBondContact O-CG 3.43Å; G32-R34 PolarHBondContact O-N 2.68Å
33R92.2Very high91.4Very high30 Ų3065.5 Ų65.511%0.11335%0.349CS..  trans-58.6132.4177.9-179.2175.552.878.7-2.7110.6A21 N24 K27 T28 I35A21-R33 WeakPolarHBondContact O-CA 3.35Å; N24-R33 WeakPolarHBondContact O-CD 3.31Å; K27-R33 HydrophobicContact CB-CB 4.37Å; K27-R33 WeakPolarHBondContact O-CB 3.39Å; K27-R33 WeakPolarHBondContact O-CD 3.37Å; K27-R33 PolarHBondContact O-NE 2.98Å; T28-R33 WeakPolarHBondContact O-CB 3.28Å; T28-R33 PolarHBondContact O-N 2.84Å; R33-I35 WeakPolarHBondContact CD-O 3.45Å; R33-I35 VanDerWaalsContact CG-O 3.31Å; R33-I35 WeakPolarHBondContact CG-O 3.41Å; R33-I35 PolarHBondContact NH1-O 3.21Å
34R89.9Confident91.4Very high116 Ų11664.2 Ų64.244%0.43834%0.343SS..  trans-112.4-14-177.3-61.6-56.3-174.7166.62.5114.2Y22 G32Y22-R34 HydrophobicContact CD1-CG 3.83Å; Y22-R34 HydrophobicContact CD2-CG 4.33Å; Y22-R34 HydrophobicContact CE1-CG 4.38Å; Y22-R34 HydrophobicContact CG-CG 3.78Å; Y22-R34 PolarHBondContact O-N 2.82Å; G32-R34 WeakPolarHBondContact O-CG 3.43Å; G32-R34 PolarHBondContact O-N 2.68Å
35I88.6Confident91.4Very high14 Ų1465.8 Ų65.87%0.07235%0.353CS..SBendtrans-114155.7-179.459.6170.3000111.9L23 R33 K39 A40L23-I35 HydrophobicContact CB-CD1 4.33Å; L23-I35 HydrophobicContact CD2-CD1 3.59Å; L23-I35 HydrophobicContact CD2-CG1 4.28Å; L23-I35 HydrophobicContact CD2-CG2 4.38Å; R33-I35 WeakPolarHBondContact CD-O 3.45Å; R33-I35 VanDerWaalsContact CG-O 3.31Å; R33-I35 WeakPolarHBondContact CG-O 3.41Å; R33-I35 PolarHBondContact NH1-O 3.21Å; I35-K39 HydrophobicContact CD1-CB 4.42Å; I35-K39 WeakPolarHBondContact CD1-O 3.38Å; I35-A40 HydrophobicContact CD1-CB 3.99Å; I35-A40 HydrophobicContact CG1-CB 4Å
36P90.5Very high91.4Very high74 Ų7463.5 Ų63.548%0.48134%0.341SS..  trans-56.2146.9173.5-23.734.1000112.1S38 K39 A40P36-S38 PolarHBondContact O-N 3.08Å; P36-K39 PolarHBondContact O-N 2.87Å; P36-A40 PolarHBondContact O-N 2.99Å; P36-A40 VanDerWaalsContact O-N 3.12Å
37I90.2Very high91.5Very high104 Ų10461.3 Ų61.353%0.53334%0.338SS..G310 helixtrans-56.5-37-178.7-64.7175000111.4N25 K39 A40N25-I37 HydrophobicContact CB-CG2 4.49Å; I37-K39 PolarHBondContact O-N 2.73Å; I37-K39 VanDerWaalsContact O-N 3.15Å; I37-A40 PolarHBondContact O-N 2.93Å
38S91.2Very high91.4Very high112 Ų11265.1 Ų65.178%0.78336%0.356SS*.G310 helixtrans-62.8-18178.354.10000115P36P36-S38 PolarHBondContact O-N 3.08Å
39K87.8Confident91.3Very high100 Ų10062.3 Ų62.344%0.43534%0.338SS..G310 helixtrans-110.9-5.1175.2-62.8-174179.1177.90112.6I35 P36 I37 L106I35-K39 HydrophobicContact CD1-CB 4.42Å; I35-K39 WeakPolarHBondContact CD1-O 3.38Å; P36-K39 PolarHBondContact O-N 2.87Å; I37-K39 PolarHBondContact O-N 2.73Å; I37-K39 VanDerWaalsContact O-N 3.15Å; K39-L106 HydrophobicContact CD-CD2 4.48Å
40A89.3Confident91.4Very high12 Ų1259.5 Ų59.510%0.09932%0.323CS..  trans-84.4145.8-177.700000110.4L23 N25 I35 P36 I37L23-A40 WeakPolarHBondContact O-CA 3.12Å; L23-A40 WeakPolarHBondContact O-CB 3.34Å; N25-A40 HydrophobicContact CB-CB 3.56Å; I35-A40 HydrophobicContact CD1-CB 3.99Å; I35-A40 HydrophobicContact CG1-CB 4Å; P36-A40 PolarHBondContact O-N 2.99Å; P36-A40 VanDerWaalsContact O-N 3.12Å; I37-A40 PolarHBondContact O-N 2.93Å
41V91.9Very high91.3Very high77 Ų7760.2 Ų60.247%0.46732%0.316SS..BIsolated β-bridgetrans-105155.7-178.2-63.90000110.3L23 N24 N25 P44L23-V41 HydrophobicContact CB-CG2 4.36Å; L23-V41 PolarHBondContact O-N 2.96Å; N24-V41 CarbonylContact C-O 3.57Å; N24-V41 WeakPolarHBondContact CA-O 3.31Å; N25-V41 PolarHBondContact N-O 3.38Å; V41-P44 HydrophobicContact CG2-CB 3.64Å; V41-P44 HydrophobicContact CG2-CG 3.84Å
42E92Very high91.1Very high124 Ų12460.8 Ų60.858%0.57932%0.324SS*.SBendtrans-79.6122.7178.9-176.7170.817300110.2N25 K26N25-E42 PolarHBondContact ND2-N 3.21Å; N25-E42 WeakPolarHBondContact OD1-CA 3.36Å; K26-E42 HydrophobicContact CD-CG 4.33Å; K26-E42 WeakPolarHBondContact CE-OE1 3.31Å; K26-E42 IonicContact NZ-OE1 2.6Å; K26-E42 PolarHBondContact NZ-OE1 3.12Å
43N90.3Very high91Very high44 Ų4461.2 Ų61.224%0.23533%0.327CS..SBendtrans47.454.3173.7-66.5-26000115.3N24 K26N24-N43 PolarHBondContact ND2-OD1 2.8Å; K26-N43 PolarHBondContact NZ-ND2 2.99Å
44P92.1Very high90.9Very high9 Ų963.1 Ų63.16%0.05835%0.345CS..  trans-61.5144.4175.726.5-32.2000110.6P20 L23 N24 V41 I49P20-P44 HydrophobicContact CB-CG 4.26Å; P20-P44 WeakPolarHBondContact CB-O 3.49Å; P20-P44 VanDerWaalsContact O-CG 3.28Å; P20-P44 WeakPolarHBondContact O-CG 3.26Å; L23-P44 HydrophobicContact CB-CG 3.99Å; N24-P44 HydrophobicContact CB-CG 4.06Å; V41-P44 HydrophobicContact CG2-CB 3.64Å; V41-P44 HydrophobicContact CG2-CG 3.84Å; P44-I49 HydrophobicContact CB-CD1 4.4Å
45T92.7Very high90.8Very high38 Ų3861.8 Ų61.823%0.23336%0.359CS..  trans-102.6155.117267.80000110.9T47 E48 I49T45-T47 PolarHBondContact O-N 3.07Å; T45-E48 WeakPolarHBondContact CB-OE2 3.39Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 PolarHBondContact O-N 3.41Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 3.4Å; T45-E48 PolarHBondContact OG1-OE2 3.43Å; T45-I49 WeakPolarHBondContact O-CG1 3.39Å; T45-I49 PolarHBondContact O-N 3.05Å
46A92.9Very high90.7Very high4 Ų463.4 Ų63.43%0.03337%0.369CS..Hα-helixtrans-65.7-27.4177.900000112.6P20 Q50 L62 V82P20-A46 HydrophobicContact CG-CB 3.83Å; A46-Q50 PolarHBondContact O-N 2.74Å; A46-L62 HydrophobicContact CB-CD1 3.43Å; A46-L62 VanDerWaalsContact CB-CD1 3.43Å; A46-V82 HydrophobicContact CB-CG2 4.09Å; A46-V82 WeakPolarHBondContact O-CG2 3.41Å
47T93.7Very high90.4Very high71 Ų7162.8 Ų62.844%0.43638%0.377SS..Hα-helixtrans-65.9-50175.1-48.60000111.1T45 I49 Q50 D51T45-T47 PolarHBondContact O-N 3.07Å; T47-I49 VanDerWaalsContact C-N 3.28Å; T47-I49 PolarHBondContact O-N 3.14Å; T47-Q50 WeakPolarHBondContact O-CB 3.44Å; T47-Q50 PolarHBondContact O-N 3.17Å; T47-Q50 VanDerWaalsContact O-N 3.07Å; T47-D51 VanDerWaalsContact O-CG 3.32Å; T47-D51 PolarHBondContact O-N 3.42Å
48E91.6Very high90.2Very high101 Ų10158.2 Ų58.247%0.47235%0.353SS..Hα-helixtrans-59.5-40.7178.1-69.8159.4151.300111.9T45 Q50 D51 V52T45-E48 WeakPolarHBondContact CB-OE2 3.39Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 PolarHBondContact O-N 3.41Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 3.4Å; T45-E48 PolarHBondContact OG1-OE2 3.43Å; E48-Q50 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 3.22Å; E48-D51 PolarHBondContact O-N 2.8Å; E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 3.05Å
49I91.2Very high90.1Very high14 Ų1457 Ų577%0.07234%0.337CS..Hα-helixtrans-62.9-42.3177.2-63167.3000110.6I18 P20 L23 P44 T45 T47 C53 V82I18-I49 HydrophobicContact CG2-CG2 4.16Å; P20-I49 HydrophobicContact CB-CD1 4.06Å; P20-I49 HydrophobicContact CG-CD1 4.19Å; L23-I49 HydrophobicContact CD1-CD1 3.74Å; L23-I49 HydrophobicContact CD1-CG1 3.84Å; P44-I49 HydrophobicContact CB-CD1 4.4Å; T45-I49 WeakPolarHBondContact O-CG1 3.39Å; T45-I49 PolarHBondContact O-N 3.05Å; T47-I49 VanDerWaalsContact C-N 3.28Å; T47-I49 PolarHBondContact O-N 3.14Å; I49-C53 WeakPolarHBondContact O-CB 3.34Å; I49-C53 PolarHBondContact O-N 2.9Å; I49-C53 PolarHBondContact O-SG 3.36Å; I49-V82 HydrophobicContact CB-CG2 3.96Å; I49-V82 HydrophobicContact CG2-CB 4.14Å; I49-V82 HydrophobicContact CG2-CG1 4.19Å; I49-V82 HydrophobicContact CG2-CG2 3.85Å
50Q93.1Very high90.3Very high52 Ų5253 Ų5324%0.24332%0.322CS..Hα-helixtrans-60.7-48.2174.9-179.8-169.810.900110.8A46 T47 E48 V52 C53 S54 V60 L62A46-Q50 PolarHBondContact O-N 2.74Å; T47-Q50 WeakPolarHBondContact O-CB 3.44Å; T47-Q50 PolarHBondContact O-N 3.17Å; T47-Q50 VanDerWaalsContact O-N 3.07Å; E48-Q50 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 3.22Å; Q50-V52 PolarHBondContact O-N 3.3Å; Q50-C53 PolarHBondContact O-N 2.65Å; Q50-S54 VanDerWaalsContact O-CB 3.3Å; Q50-S54 WeakPolarHBondContact O-CB 3.24Å; Q50-S54 PolarHBondContact O-N 3.37Å; Q50-V60 HydrophobicContact CG-CG1 4.14Å; Q50-V60 HydrophobicContact CG-CG2 4.27Å; Q50-L62 HydrophobicContact CB-CB 4.48Å; Q50-L62 HydrophobicContact CG-CB 4.4Å; Q50-L62 VanDerWaalsContact OE1-CB 3.27Å
51D92.2Very high90.5Very high92 Ų9255 Ų5549%0.49233%0.328SS..Hα-helixtrans-61.5-44.9-176.4-67.2-23.4000111.3T47 E48 S54 A55T47-D51 VanDerWaalsContact O-CG 3.32Å; T47-D51 PolarHBondContact O-N 3.42Å; E48-D51 PolarHBondContact O-N 2.8Å; D51-S54 PolarHBondContact O-N 3.46Å; D51-A55 VanDerWaalsContact O-CB 3.29Å; D51-A55 WeakPolarHBondContact O-CB 3.29Å; D51-A55 PolarHBondContact O-N 2.95Å
52V89.3Confident90.6Very high88 Ų8852.7 Ų52.753%0.53331%0.313SS..Hα-helixtrans-64.4-45.4176.2176.50000111.2E48 Q50 S54 A55 V56E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 3.05Å; Q50-V52 PolarHBondContact O-N 3.3Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.15Å; V52-A55 PolarHBondContact O-N 2.74Å; V52-V56 VanDerWaalsContact O-CG2 3.28Å; V52-V56 WeakPolarHBondContact O-CG2 3.2Å; V52-V56 PolarHBondContact O-N 3.02Å; V52-V56 VanDerWaalsContact O-N 3.14Å
53C88.1Confident90.7Very high9 Ų948.9 Ų48.96%0.06130%0.295CS..Hα-helixtrans-61.8-41.3177.9-680000111.6I49 Q50 V56 G57 L58 V60I49-C53 WeakPolarHBondContact O-CB 3.34Å; I49-C53 PolarHBondContact O-N 2.9Å; I49-C53 PolarHBondContact O-SG 3.36Å; Q50-C53 PolarHBondContact O-N 2.65Å; C53-V56 PolarHBondContact O-N 3.14Å; C53-G57 PolarHBondContact O-N 2.86Å; C53-L58 HydrophobicContact CB-CB 4.49Å; C53-L58 HydrophobicContact CB-CD1 4.47Å; C53-L58 WeakPolarHBondContact O-CB 3.43Å; C53-L58 PolarHBondContact O-N 3.33Å; C53-V60 HydrophobicContact CB-CB 4.1Å; C53-V60 HydrophobicContact CB-CG1 3.99Å; C53-V60 HydrophobicContact CB-CG2 4.07Å
54S89.7Confident90.8Very high70 Ų7053.8 Ų53.849%0.4932%0.315SS..Hα-helixtrans-67.7-39.8178.9-168.90000111.6Q50 D51 V52 V56 G57Q50-S54 VanDerWaalsContact O-CB 3.3Å; Q50-S54 WeakPolarHBondContact O-CB 3.24Å; Q50-S54 PolarHBondContact O-N 3.37Å; D51-S54 PolarHBondContact O-N 3.46Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.15Å; S54-V56 VanDerWaalsContact C-N 3.26Å; S54-V56 PolarHBondContact O-N 2.87Å; S54-G57 PolarHBondContact O-N 2.86Å
55A89.6Confident90.7Very high88 Ų8860.4 Ų60.473%0.72735%0.349SS*.Hα-helixtrans-64.5-32.117800000112.6D51 V52 G57D51-A55 VanDerWaalsContact O-CB 3.29Å; D51-A55 WeakPolarHBondContact O-CB 3.29Å; D51-A55 PolarHBondContact O-N 2.95Å; V52-A55 PolarHBondContact O-N 2.74Å; A55-G57 PolarHBondContact O-N 3.44Å
56V85.6Confident90.7Very high49 Ų4963.2 Ų63.230%0.29736%0.359SS..THydrogen-bonded Turntrans-78.8-7176.2-179.80000112.1V52 C53 S54 L95 F98V52-V56 VanDerWaalsContact O-CG2 3.28Å; V52-V56 WeakPolarHBondContact O-CG2 3.2Å; V52-V56 PolarHBondContact O-N 3.02Å; V52-V56 VanDerWaalsContact O-N 3.14Å; C53-V56 PolarHBondContact O-N 3.14Å; S54-V56 VanDerWaalsContact C-N 3.26Å; S54-V56 PolarHBondContact O-N 2.87Å; V56-L95 HydrophobicContact CG1-CD1 3.58Å; V56-F98 HydrophobicContact CG1-CE2 3.7Å; V56-F98 HydrophobicContact CG1-CZ 4.25Å
57G85.2Confident90.6Very high61 Ų6165.9 Ų65.963%0.62937%0.371SS*.THydrogen-bonded Turntrans88.717.5177.200000114.5C53 S54 A55C53-G57 PolarHBondContact O-N 2.86Å; S54-G57 PolarHBondContact O-N 2.86Å; A55-G57 PolarHBondContact O-N 3.44Å
58L86.1Confident90.5Very high8 Ų863.4 Ų63.44%0.04235%0.354CS..  trans-79.8141.5172.3-68.2167.8000110.6C53 V60 V84 C94 L95 F98 L104C53-L58 HydrophobicContact CB-CB 4.49Å; C53-L58 HydrophobicContact CB-CD1 4.47Å; C53-L58 WeakPolarHBondContact O-CB 3.43Å; C53-L58 PolarHBondContact O-N 3.33Å; L58-V60 PolarHBondContact O-N 3.25Å; L58-V84 HydrophobicContact CB-CG1 4.02Å; L58-V84 HydrophobicContact CD1-CG1 3.89Å; L58-V84 HydrophobicContact CG-CG1 4.38Å; L58-C94 HydrophobicContact CD2-CB 4.13Å; L58-L95 HydrophobicContact CD1-CD1 4.31Å; L58-L95 HydrophobicContact CD2-CB 4.2Å; L58-L95 HydrophobicContact CD2-CD1 3.49Å; L58-L95 VanDerWaalsContact CD2-CD1 3.49Å; L58-L95 HydrophobicContact CD2-CG 3.76Å; L58-L95 HydrophobicContact CG-CD1 3.6Å; L58-L95 HydrophobicContact CG-CG 4.39Å; L58-F98 HydrophobicContact CD1-CD2 3.92Å; L58-F98 HydrophobicContact CD1-CE2 4.1Å; L58-F98 HydrophobicContact CD2-CD2 4.45Å; L58-L104 HydrophobicContact CD1-CD2 3.51Å
59N88.7Confident90.4Very high85 Ų8564.3 Ų64.346%0.45537%0.371SS..  trans-71.6113.9169.3-175.117.5000109.3F15 Q85F15-N59 WeakPolarHBondContact CZ-ND2 3.4Å; N59-Q85 HydrophobicContact CB-CB 3.88Å; N59-Q85 PolarHBondContact ND2-OE1 3.32Å; N59-Q85 PolarHBondContact O-N 3.38Å
60V92.2Very high90.4Very high17 Ų1770 Ų7010%0.10339%0.392CS..EExtended strand (participates in β ladder)trans-140.7143.1-171.263.60000111.4Q50 C53 L58 V82 R83 V84Q50-V60 HydrophobicContact CG-CG1 4.14Å; Q50-V60 HydrophobicContact CG-CG2 4.27Å; C53-V60 HydrophobicContact CB-CB 4.1Å; C53-V60 HydrophobicContact CB-CG1 3.99Å; C53-V60 HydrophobicContact CB-CG2 4.07Å; L58-V60 PolarHBondContact O-N 3.25Å; V60-V82 HydrophobicContact CG2-CG1 3.17Å; V60-R83 VanDerWaalsContact CA-O 3.25Å; V60-R83 WeakPolarHBondContact CA-O 3.15Å; V60-R83 WeakPolarHBondContact CG2-O 3.4Å; V60-V84 HydrophobicContact CB-CG2 4.4Å; V60-V84 HydrophobicContact CG2-CG2 3.83Å
61F93.5Very high90.2Very high53 Ų5368.2 Ų68.223%0.23238%0.384CS..EExtended strand (participates in β ladder)trans-139.3154.916966.3-90.6000111.8Q12 F15 E63 R83Q12-F61 HydrophobicContact CB-CE1 3.95Å; Q12-F61 HydrophobicContact CB-CZ 4.07Å; Q12-F61 HydrophobicContact CG-CE1 3.97Å; Q12-F61 HydrophobicContact CG-CZ 4.46Å; F15-F61 AromaticContact CD2-CD1 3.89Å; F15-F61 HydrophobicContact CD2-CD1 3.89Å; F15-F61 AromaticContact CD2-CE1 3.44Å; F15-F61 HydrophobicContact CD2-CE1 3.44Å; F15-F61 VanDerWaalsContact CD2-CE1 3.44Å; F15-F61 AromaticContact CE2-CD1 3.96Å; F15-F61 HydrophobicContact CE2-CD1 3.96Å; F15-F61 AromaticContact CE2-CE1 3.76Å; F15-F61 HydrophobicContact CE2-CE1 3.76Å; F15-F61 HydrophobicContact CG-CE1 4.3Å; F61-E63 HydrophobicContact CD2-CG 4.23Å; F61-E63 HydrophobicContact CE2-CG 3.95Å; F61-R83 HydrophobicContact CD1-CB 3.78Å; F61-R83 HydrophobicContact CD2-CB 3.92Å; F61-R83 HydrophobicContact CD2-CG 4.17Å; F61-R83 HydrophobicContact CE1-CB 3.41Å; F61-R83 VanDerWaalsContact CE1-CB 3.41Å; F61-R83 HydrophobicContact CE1-CG 4.17Å; F61-R83 HydrophobicContact CE2-CB 3.57Å; F61-R83 HydrophobicContact CE2-CG 3.51Å; F61-R83 HydrophobicContact CG-CB 4.03Å; F61-R83 HydrophobicContact CZ-CB 3.31Å; F61-R83 HydrophobicContact CZ-CG 3.52Å; F61-R83 PolarHBondContact N-O 3.46Å; F61-R83 PolarHBondContact O-N 2.68Å
62L94.1Very high90Very high29 Ų2973.6 Ų73.615%0.15240%0.397CS..EExtended strand (participates in β ladder)trans-109.7123.3-174.8173.662.8000111.6A46 Q50 K64 V82A46-L62 HydrophobicContact CB-CD1 3.43Å; A46-L62 VanDerWaalsContact CB-CD1 3.43Å; Q50-L62 HydrophobicContact CB-CB 4.48Å; Q50-L62 HydrophobicContact CG-CB 4.4Å; Q50-L62 VanDerWaalsContact OE1-CB 3.27Å; L62-K64 HydrophobicContact CD2-CD 4.34Å; L62-K64 HydrophobicContact CD2-CG 3.64Å; L62-K64 HydrophobicContact CG-CG 3.72Å; L62-K64 PolarHBondContact O-N 3.02Å; L62-V82 HydrophobicContact CD1-CG2 4.07Å
63E93.8Very high90Very high45 Ų4570.7 Ų70.721%0.2138%0.378CS..EExtended strand (participates in β ladder)trans-97.683.6169.8-63.2174.396.800110.2F61 N65 K66 G80 R81 R83F61-E63 HydrophobicContact CD2-CG 4.23Å; F61-E63 HydrophobicContact CE2-CG 3.95Å; E63-N65 PolarHBondContact O-N 3.5Å; E63-N65 VanDerWaalsContact O-N 3.09Å; E63-K66 HydrophobicContact CB-CB 4.17Å; E63-K66 HydrophobicContact CB-CG 3.57Å; E63-K66 HydrophobicContact CG-CG 4.37Å; E63-K66 PolarHBondContact O-N 3.1Å; E63-K66 VanDerWaalsContact O-N 3.11Å; E63-K66 WeakPolarHBondContact OE1-CE 3.43Å; E63-G80 WeakPolarHBondContact O-CA 3.39Å; E63-R81 HydrophobicContact CB-CB 4.39Å; E63-R81 PolarHBondContact N-O 2.91Å; E63-R81 PolarHBondContact O-N 3.11Å; E63-R81 VanDerWaalsContact O-N 3.12Å; E63-R81 IonicContact OE1-CZ 3.89Å; E63-R81 IonicContact OE1-NH2 2.9Å; E63-R81 PolarHBondContact OE1-NH2 3.09Å; E63-R81 IonicContact OE2-CZ 3.09Å; E63-R81 IonicContact OE2-NE 2.65Å; E63-R81 PolarHBondContact OE2-NE 3.49Å; E63-R81 IonicContact OE2-NH2 2.74Å; E63-R81 PolarHBondContact OE2-NH2 2.84Å; E63-R83 HydrophobicContact CG-CG 4.48Å; E63-R83 VanDerWaalsContact OE2-CG 3.31Å; E63-R83 WeakPolarHBondContact OE2-CG 3.37Å
64K91.3Very high89.9Confident147 Ų14779 Ų7964%0.63941%0.409SS*.EExtended strand (participates in β ladder)trans-54.8-31.3-173.7-63.7-177.4178.6-179.70114.5L62L62-K64 HydrophobicContact CD2-CD 4.34Å; L62-K64 HydrophobicContact CD2-CG 3.64Å; L62-K64 HydrophobicContact CG-CG 3.72Å; L62-K64 PolarHBondContact O-N 3.02Å
65N90.4Very high89.9Confident147 Ų14779.7 Ų79.779%0.78641%0.407SS*.EExtended strand (participates in β ladder)trans-90.5-5-174.7-65.6-34.9000113.9E63E63-N65 PolarHBondContact O-N 3.5Å; E63-N65 VanDerWaalsContact O-N 3.09Å
66K92.1Very high89.7Confident98 Ų9881.4 Ų81.443%0.42641%0.408SS..EExtended strand (participates in β ladder)trans-82.6142.2178.9-64-66.5-177.7-176.80110.1E63 G80 R81E63-K66 HydrophobicContact CB-CB 4.17Å; E63-K66 HydrophobicContact CB-CG 3.57Å; E63-K66 HydrophobicContact CG-CG 4.37Å; E63-K66 PolarHBondContact O-N 3.1Å; E63-K66 VanDerWaalsContact O-N 3.11Å; E63-K66 WeakPolarHBondContact OE1-CE 3.43Å; K66-G80 CarbonylContact O-C 3.54Å; K66-G80 WeakPolarHBondContact O-CA 3.34Å; K66-G80 PolarHBondContact O-N 3.12Å; K66-R81 HydrophobicContact CB-CB 3.75Å; K66-R81 HydrophobicContact CG-CB 4.46Å
67M90.5Very high89.8Confident59 Ų5983 Ų8329%0.29141%0.412SS..EExtended strand (participates in β ladder)trans-118.4150.6178-72.6-172.860.700110.7Y19 R74 R79Y19-M67 WeakPolarHBondContact CE1-O 3.4Å; Y19-M67 PolarHBondContact OH-O 3.07Å; M67-R74 HydrophobicContact CE-CB 4.41Å; M67-R74 HydrophobicContact CE-CG 4.02Å; M67-R79 HydrophobicContact CG-CB 4.5Å; M67-R79 HydrophobicContact CG-CG 3.92Å; M67-R79 HydrophobicContact SD-CG 4.18Å
68Y91.5Very high89.9Confident20 Ų2082.4 Ų82.48%0.07839%0.391CS..  trans-76.8129.9171.6-175.9-132.4000109.2Y19 A21 Y22 R70 E71Y19-Y68 HydrophobicContact CD1-CD2 4.2Å; Y19-Y68 HydrophobicContact CD1-CG 4.26Å; Y19-Y68 AromaticContact CD2-CD2 3.6Å; Y19-Y68 HydrophobicContact CD2-CD2 3.6Å; Y19-Y68 HydrophobicContact CD2-CE2 4.24Å; Y19-Y68 HydrophobicContact CD2-CG 4.36Å; Y19-Y68 HydrophobicContact CE1-CD2 4.4Å; Y19-Y68 AromaticContact CE2-CD2 3.85Å; Y19-Y68 HydrophobicContact CE2-CD2 3.85Å; Y19-Y68 AromaticContact CG-CD2 3.75Å; Y19-Y68 HydrophobicContact CG-CD2 3.75Å; Y19-Y68 HydrophobicContact CG-CG 4.04Å; A21-Y68 HydrophobicContact CB-CD1 3.7Å; A21-Y68 HydrophobicContact CB-CE1 4.07Å; A21-Y68 HydrophobicContact CB-CG 4.46Å; Y22-Y68 HydrophobicContact CE1-CD2 4.34Å; Y22-Y68 HydrophobicContact CE1-CE1 4.43Å; Y22-Y68 AromaticContact CE1-CE2 3.74Å; Y22-Y68 HydrophobicContact CE1-CE2 3.74Å; Y22-Y68 AromaticContact CE1-CZ 3.79Å; Y68-R70 HydrophobicContact CD1-CB 3.94Å; Y68-R70 HydrophobicContact CE1-CB 3.52Å; Y68-R70 HydrophobicContact CE1-CG 3.85Å; Y68-R70 PolarHBondContact O-N 3.07Å; Y68-R70 VanDerWaalsContact O-N 3.1Å; Y68-R70 WeakPolarHBondContact OH-CD 3.3Å; Y68-E71 HydrophobicContact CD1-CB 4.49Å; Y68-E71 WeakPolarHBondContact O-CB 3.35Å; Y68-E71 PolarHBondContact O-N 3.05Å
69S91.2Very high90.1Very high120 Ų12086.7 Ų86.784%0.83941%0.407SS*.THydrogen-bonded Turntrans-61.6-24.3-173.5-53.60000114.3
70R90.1Very high90.3Very high132 Ų13282.7 Ų82.750%0.49839%0.386SS..THydrogen-bonded Turntrans-90.5-4.2175.7-51.6-174.7178.2174.8-2.1113.3A30 Y68A30-R70 WeakPolarHBondContact O-CD 3.25Å; A30-R70 PolarHBondContact O-NH1 3.47Å; Y68-R70 HydrophobicContact CD1-CB 3.94Å; Y68-R70 HydrophobicContact CE1-CB 3.52Å; Y68-R70 HydrophobicContact CE1-CG 3.85Å; Y68-R70 PolarHBondContact O-N 3.07Å; Y68-R70 VanDerWaalsContact O-N 3.1Å; Y68-R70 WeakPolarHBondContact OH-CD 3.3Å
71E89.1Confident90.4Very high16 Ų1684.1 Ų84.18%0.07539%0.389CS..  trans-83.1117.6175.9-175.462.4-96.700109.6K27 Y68 N73 Y78K27-E71 WeakPolarHBondContact CE-OE2 3.37Å; K27-E71 VanDerWaalsContact NZ-CD 3.31Å; K27-E71 IonicContact NZ-OE1 3.18Å; K27-E71 PolarHBondContact NZ-OE1 2.82Å; K27-E71 IonicContact NZ-OE2 2.68Å; K27-E71 PolarHBondContact NZ-OE2 3.26Å; Y68-E71 HydrophobicContact CD1-CB 4.49Å; Y68-E71 WeakPolarHBondContact O-CB 3.35Å; Y68-E71 PolarHBondContact O-N 3.05Å; E71-N73 WeakPolarHBondContact CG-O 3.28Å; E71-N73 PolarHBondContact OE1-N 3.06Å; E71-Y78 HydrophobicContact CG-CG 4.39Å
72W88.8Confident90.4Very high205 Ų20581.6 Ų81.678%0.77738%0.378SS*.  trans-86.1-29.3177.167.7-90.9000111.4R74W72-R74 PolarHBondContact O-N 3.46Å
73N88.1Confident90.3Very high26 Ų2681.3 Ų81.314%0.13938%0.375CS..  trans-76.5125.4-178.5-170-27.4000110.6E71 D75 Y78E71-N73 WeakPolarHBondContact CG-O 3.28Å; E71-N73 PolarHBondContact OE1-N 3.06Å; N73-D75 PolarHBondContact ND2-OD2 3.15Å; N73-D75 VanDerWaalsContact OD1-CB 3.25Å; N73-D75 WeakPolarHBondContact OD1-CB 3.29Å; N73-D75 PolarHBondContact OD1-N 3.41Å; N73-D75 PolarHBondContact OD1-OD1 3.37Å; N73-D75 PolarHBondContact OD1-OD2 3.33Å; N73-D75 VanDerWaalsContact OD1-OD2 3.05Å; N73-Y78 HydrophobicContact CB-CD2 3.64Å; N73-Y78 HydrophobicContact CB-CE2 3.95Å; N73-Y78 HydrophobicContact CB-CG 4.28Å; N73-Y78 VanDerWaalsContact CG-CE2 3.48Å; N73-Y78 WeakPolarHBondContact ND2-CE2 3.42Å
74R87Confident90.1Very high185 Ų18579.2 Ų79.270%0.69837%0.365SS*.  trans-95.46.3-178.2-58.6-171.5177.5-163.30.9113.8M67 W72 R79M67-R74 HydrophobicContact CE-CB 4.41Å; M67-R74 HydrophobicContact CE-CG 4.02Å; W72-R74 PolarHBondContact O-N 3.46Å; R74-R79 PolarHBondContact O-NE 2.89Å; R74-R79 PolarHBondContact O-NH2 2.8Å
75D89.2Confident90Very high83 Ų8373.2 Ų73.244%0.44434%0.339SS..SBendtrans-62.1151.3176.1-63.3-24.1000111.1N73 Q77 Y78N73-D75 PolarHBondContact ND2-OD2 3.15Å; N73-D75 VanDerWaalsContact OD1-CB 3.25Å; N73-D75 WeakPolarHBondContact OD1-CB 3.29Å; N73-D75 PolarHBondContact OD1-N 3.41Å; N73-D75 PolarHBondContact OD1-OD1 3.37Å; N73-D75 PolarHBondContact OD1-OD2 3.33Å; N73-D75 VanDerWaalsContact OD1-OD2 3.05Å; D75-Q77 HydrophobicContact CB-CG 4.13Å; D75-Q77 PolarHBondContact O-N 2.98Å; D75-Q77 VanDerWaalsContact O-N 3.14Å; D75-Y78 HydrophobicContact CB-CD2 4.05Å; D75-Y78 HydrophobicContact CB-CE2 4.43Å; D75-Y78 PolarHBondContact O-N 2.86Å; D75-Y78 VanDerWaalsContact O-N 3.08Å
76V86.3Confident89.6Confident125 Ų12567.1 Ų67.176%0.75831%0.307SS*.G310 helixtrans-55.7-35.5-176.1178.70000112.2Y78 R79V76-Y78 VanDerWaalsContact C-N 3.27Å; V76-Y78 PolarHBondContact O-N 3.1Å; V76-R79 PolarHBondContact O-N 3.43Å
77Q86.7Confident89Confident82 Ų8267.5 Ų67.538%0.38331%0.309SS..G310 helixtrans-62.6-29.2-179.469-173.6-46.500114D75D75-Q77 HydrophobicContact CB-CG 4.13Å; D75-Q77 PolarHBondContact O-N 2.98Å; D75-Q77 VanDerWaalsContact O-N 3.14Å
78Y87.6Confident88.4Confident49 Ų4969.1 Ų69.119%0.19232%0.315CS..G310 helixtrans-96.8-2.3-179.9-55.9-75.7000113E71 N73 D75 V76E71-Y78 HydrophobicContact CG-CG 4.39Å; N73-Y78 HydrophobicContact CB-CD2 3.64Å; N73-Y78 HydrophobicContact CB-CE2 3.95Å; N73-Y78 HydrophobicContact CB-CG 4.28Å; N73-Y78 VanDerWaalsContact CG-CE2 3.48Å; N73-Y78 WeakPolarHBondContact ND2-CE2 3.42Å; D75-Y78 HydrophobicContact CB-CD2 4.05Å; D75-Y78 HydrophobicContact CB-CE2 4.43Å; D75-Y78 PolarHBondContact O-N 2.86Å; D75-Y78 VanDerWaalsContact O-N 3.08Å; V76-Y78 VanDerWaalsContact C-N 3.27Å; V76-Y78 PolarHBondContact O-N 3.1Å
79R91Very high87.8Confident97 Ų9775.3 Ų75.337%0.36635%0.345SS..EExtended strand (participates in β ladder)trans-85.8158.4173.4-60-172.4-172-171.93.9110.7M67 R74 V76M67-R79 HydrophobicContact CG-CB 4.5Å; M67-R79 HydrophobicContact CG-CG 3.92Å; M67-R79 HydrophobicContact SD-CG 4.18Å; R74-R79 PolarHBondContact O-NE 2.89Å; R74-R79 PolarHBondContact O-NH2 2.8Å; V76-R79 PolarHBondContact O-N 3.43Å
80G92.8Very high87Confident1 Ų175.5 Ų75.51%0.0134%0.336CS..EExtended strand (participates in β ladder)trans113.1141.417600000112.3P20 E63 K66P20-G80 WeakPolarHBondContact CD-O 3.32Å; E63-G80 WeakPolarHBondContact O-CA 3.39Å; K66-G80 CarbonylContact O-C 3.54Å; K66-G80 WeakPolarHBondContact O-CA 3.34Å; K66-G80 PolarHBondContact O-N 3.12Å
81R93.2Very high86.2Confident47 Ų4770.8 Ų70.818%0.17733%0.329CS..EExtended strand (participates in β ladder)trans-128.4127.2169.1-177.1171.671.6178.21.4108.1C17 Y19 E63 K66C17-R81 HydrophobicContact CB-CG 4.15Å; Y19-R81 HydrophobicContact CD1-CB 4.15Å; Y19-R81 HydrophobicContact CD1-CG 4.3Å; Y19-R81 HydrophobicContact CE1-CB 3.78Å; Y19-R81 HydrophobicContact CE1-CG 3.92Å; Y19-R81 HydrophobicContact CE2-CG 4.25Å; Y19-R81 WeakPolarHBondContact OH-CD 3.42Å; E63-R81 HydrophobicContact CB-CB 4.39Å; E63-R81 PolarHBondContact N-O 2.91Å; E63-R81 PolarHBondContact O-N 3.11Å; E63-R81 VanDerWaalsContact O-N 3.12Å; E63-R81 IonicContact OE1-CZ 3.89Å; E63-R81 IonicContact OE1-NH2 2.9Å; E63-R81 PolarHBondContact OE1-NH2 3.09Å; E63-R81 IonicContact OE2-CZ 3.09Å; E63-R81 IonicContact OE2-NE 2.65Å; E63-R81 PolarHBondContact OE2-NE 3.49Å; E63-R81 IonicContact OE2-NH2 2.74Å; E63-R81 PolarHBondContact OE2-NH2 2.84Å; K66-R81 HydrophobicContact CB-CB 3.75Å; K66-R81 HydrophobicContact CG-CB 4.46Å
82V93.6Very high85.5Confident0 Ų072 Ų720%034%0.34CS..EExtended strand (participates in β ladder)trans-94130.3176-175.20000108.3I18 A46 I49 V60 L62 V84I18-V82 HydrophobicContact CB-CB 4.29Å; I18-V82 PolarHBondContact N-O 2.82Å; I18-V82 PolarHBondContact O-N 2.92Å; A46-V82 HydrophobicContact CB-CG2 4.09Å; A46-V82 WeakPolarHBondContact O-CG2 3.41Å; I49-V82 HydrophobicContact CB-CG2 3.96Å; I49-V82 HydrophobicContact CG2-CB 4.14Å; I49-V82 HydrophobicContact CG2-CG1 4.19Å; I49-V82 HydrophobicContact CG2-CG2 3.85Å; V60-V82 HydrophobicContact CG2-CG1 3.17Å; L62-V82 HydrophobicContact CD1-CG2 4.07Å; V82-V84 HydrophobicContact CG1-CG2 3.87Å
83R92.8Very high84.8Confident24 Ų2465 Ų659%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-109.1115.2178.6-67.5-72.6-68.1-172.7-0.4108.3Q12 D13 F15 I16 C17 V60 F61 E63Q12-R83 PolarHBondContact O-NH2 2.87Å; D13-R83 VanDerWaalsContact CA-NH2 3.33Å; D13-R83 PolarHBondContact O-NH2 2.86Å; F15-R83 HydrophobicContact CB-CB 4.13Å; F15-R83 HydrophobicContact CD2-CB 4.32Å; F15-R83 PolarHBondContact O-NH1 2.9Å; F15-R83 PolarHBondContact O-NH2 3.28Å; I16-R83 VanDerWaalsContact O-CA 3.28Å; I16-R83 WeakPolarHBondContact O-CA 2.91Å; C17-R83 PolarHBondContact SG-NH1 3.03Å; V60-R83 VanDerWaalsContact CA-O 3.25Å; V60-R83 WeakPolarHBondContact CA-O 3.15Å; V60-R83 WeakPolarHBondContact CG2-O 3.4Å; F61-R83 HydrophobicContact CD1-CB 3.78Å; F61-R83 HydrophobicContact CD2-CB 3.92Å; F61-R83 HydrophobicContact CD2-CG 4.17Å; F61-R83 HydrophobicContact CE1-CB 3.41Å; F61-R83 VanDerWaalsContact CE1-CB 3.41Å; F61-R83 HydrophobicContact CE1-CG 4.17Å; F61-R83 HydrophobicContact CE2-CB 3.57Å; F61-R83 HydrophobicContact CE2-CG 3.51Å; F61-R83 HydrophobicContact CG-CB 4.03Å; F61-R83 HydrophobicContact CZ-CB 3.31Å; F61-R83 HydrophobicContact CZ-CG 3.52Å; F61-R83 PolarHBondContact N-O 3.46Å; F61-R83 PolarHBondContact O-N 2.68Å; E63-R83 HydrophobicContact CG-CG 4.48Å; E63-R83 VanDerWaalsContact OE2-CG 3.31Å; E63-R83 WeakPolarHBondContact OE2-CG 3.37Å
84V89.7Confident83.8Confident0 Ų065.6 Ų65.60%032%0.323CS..EExtended strand (participates in β ladder)trans-117133.1-175.3-174.40000110.3F15 I16 I18 L58 V60 V82 L86F15-V84 CarbonylContact C-O 3.58Å; F15-V84 WeakPolarHBondContact CA-O 3.29Å; F15-V84 WeakPolarHBondContact CB-O 3.42Å; I16-V84 HydrophobicContact CD1-CB 4.2Å; I16-V84 HydrophobicContact CG1-CB 3.8Å; I16-V84 VanDerWaalsContact CG1-O 3.28Å; I16-V84 WeakPolarHBondContact CG1-O 3.35Å; I16-V84 PolarHBondContact N-O 2.73Å; I16-V84 PolarHBondContact O-N 3.24Å; I16-V84 VanDerWaalsContact O-N 3.08Å; I18-V84 HydrophobicContact CD1-CB 4.42Å; I18-V84 HydrophobicContact CD1-CG2 3.61Å; I18-V84 HydrophobicContact CG1-CG2 4.43Å; L58-V84 HydrophobicContact CB-CG1 4.02Å; L58-V84 HydrophobicContact CD1-CG1 3.89Å; L58-V84 HydrophobicContact CG-CG1 4.38Å; V60-V84 HydrophobicContact CB-CG2 4.4Å; V60-V84 HydrophobicContact CG2-CG2 3.83Å; V82-V84 HydrophobicContact CG1-CG2 3.87Å; V84-L86 PolarHBondContact O-N 2.78Å
85Q88Confident82.6Confident21 Ų2159 Ų5910%0.09830%0.301CS..  trans-79.2115.3169.8-165177.2-3.700109.6F15 N59 K87F15-Q85 HydrophobicContact CD1-CB 3.98Å; F15-Q85 HydrophobicContact CD1-CG 4.03Å; F15-Q85 HydrophobicContact CD2-CB 4.14Å; F15-Q85 HydrophobicContact CE1-CB 3.65Å; F15-Q85 HydrophobicContact CE1-CG 3.52Å; F15-Q85 HydrophobicContact CE2-CB 3.82Å; F15-Q85 HydrophobicContact CG-CB 4.24Å; F15-Q85 HydrophobicContact CZ-CB 3.59Å; F15-Q85 HydrophobicContact CZ-CG 3.83Å; N59-Q85 HydrophobicContact CB-CB 3.88Å; N59-Q85 PolarHBondContact ND2-OE1 3.32Å; N59-Q85 PolarHBondContact O-N 3.38Å; Q85-K87 WeakPolarHBondContact CG-O 3.36Å; Q85-K87 PolarHBondContact NE2-O 3.3Å
86L82Confident81.3Confident20 Ų2061 Ų6111%0.10532%0.316CS..  trans-93.6-26.7171.2-71.1-173.9000112.8I16 V84 L93 C94 F98I16-L86 HydrophobicContact CD1-CD1 3.78Å; I16-L86 HydrophobicContact CD1-CD2 4.11Å; I16-L86 HydrophobicContact CD1-CG 3.81Å; I16-L86 HydrophobicContact CG1-CD1 4.24Å; I16-L86 HydrophobicContact CG1-CG 4.01Å; I16-L86 HydrophobicContact CG2-CD1 3.71Å; I16-L86 HydrophobicContact CG2-CG 4.07Å; V84-L86 PolarHBondContact O-N 2.78Å; L86-L93 CarbonylContact O-C 3.54Å; L86-L93 VanDerWaalsContact O-CA 3.29Å; L86-L93 WeakPolarHBondContact O-CA 3.18Å; L86-C94 PolarHBondContact O-N 3.08Å; L86-F98 HydrophobicContact CD2-CB 4.21Å
87K79.4Confident79.9Confident106 Ų10660.5 Ų60.546%0.46131%0.305SS..BIsolated β-bridgetrans-125.8138.7-174.1-66.2-174.4177.6-167.40111.5P9 Q85 S92 L93P9-K87 HydrophobicContact CB-CB 3.81Å; Q85-K87 WeakPolarHBondContact CG-O 3.36Å; Q85-K87 PolarHBondContact NE2-O 3.3Å; K87-S92 CarbonylContact C-O 3.48Å; K87-S92 WeakPolarHBondContact CA-O 3.28Å; K87-L93 HydrophobicContact CG-CD2 4.19Å
88Q78.3Confident78.6Confident93 Ų9356.9 Ų56.944%0.43529%0.288SS..  trans-74.8174.3169.3-62.3-170.187.800110.4D90 G91 S92Q88-D90 VanDerWaalsContact CB-OD1 3.27Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.37Å; Q88-D90 PolarHBondContact O-N 2.91Å; Q88-G91 PolarHBondContact O-N 3.28Å; Q88-S92 PolarHBondContact N-O 3.27Å; Q88-S92 PolarHBondContact NE2-OG 3.18Å
89E78.5Confident77.2Confident150 Ų15058.1 Ų58.170%0.70130%0.303SS*.THydrogen-bonded Turntrans-59.4-35.4-179.5-172.3172.4-177.400112.5A10 G91A10-E89 HydrophobicContact CB-CB 4.07Å; E89-G91 PolarHBondContact O-N 3.49Å
90D75.7Confident75.6Confident123 Ų12355.2 Ų55.266%0.65830%0.297SS*.THydrogen-bonded Turntrans-73.8-3.917668.7-5.3000114Q88 S92Q88-D90 VanDerWaalsContact CB-OD1 3.27Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.37Å; Q88-D90 PolarHBondContact O-N 2.91Å; D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 VanDerWaalsContact CG-OG 3.26Å; D90-S92 PolarHBondContact O-N 3.43Å; D90-S92 WeakPolarHBondContact OD1-CB 3.37Å; D90-S92 PolarHBondContact OD1-N 3.29Å; D90-S92 PolarHBondContact OD1-OG 2.81Å; D90-S92 PolarHBondContact OD2-OG 3.14Å
91G72.7Confident74Confident34 Ų3460.7 Ų60.735%0.35132%0.322SS..SBendtrans83.1-2.9-177.200000115.1Q88 E89Q88-G91 PolarHBondContact O-N 3.28Å; E89-G91 PolarHBondContact O-N 3.49Å
92S75.1Confident72.1Confident42 Ų4264.9 Ų64.929%0.29434%0.339SS..  trans-65.6153171.770.60000110.8K87 Q88 D90K87-S92 CarbonylContact C-O 3.48Å; K87-S92 WeakPolarHBondContact CA-O 3.28Å; Q88-S92 PolarHBondContact N-O 3.27Å; Q88-S92 PolarHBondContact NE2-OG 3.18Å; D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 VanDerWaalsContact CG-OG 3.26Å; D90-S92 PolarHBondContact O-N 3.43Å; D90-S92 WeakPolarHBondContact OD1-CB 3.37Å; D90-S92 PolarHBondContact OD1-N 3.29Å; D90-S92 PolarHBondContact OD1-OG 2.81Å; D90-S92 PolarHBondContact OD2-OG 3.14Å
93L74Confident70.2Confident57 Ų5766.4 Ų66.430%0.29835%0.349SS..BIsolated β-bridgetrans-75.9134.3178.1-67.1164.7000110L86 K87 L95 P99L86-L93 CarbonylContact O-C 3.54Å; L86-L93 VanDerWaalsContact O-CA 3.29Å; L86-L93 WeakPolarHBondContact O-CA 3.18Å; K87-L93 HydrophobicContact CG-CD2 4.19Å; L93-L95 PolarHBondContact O-N 3.29Å; L93-P99 HydrophobicContact CD1-CB 3.85Å
94C66.8Low68.4Low38 Ų3867.2 Ų67.226%0.25735%0.354SS..SBendtrans-59.2-35.2175.5-65.50000111.5L58 L86L58-C94 HydrophobicContact CD2-CB 4.13Å; L86-C94 PolarHBondContact O-N 3.08Å
95L61.7Low66.5Low46 Ų4668.8 Ų68.824%0.24137%0.366CS..  trans-139.3125.2171.9-69.1178000109.4V56 L58 L93 Q97 F98V56-L95 HydrophobicContact CG1-CD1 3.58Å; L58-L95 HydrophobicContact CD1-CD1 4.31Å; L58-L95 HydrophobicContact CD2-CB 4.2Å; L58-L95 HydrophobicContact CD2-CD1 3.49Å; L58-L95 VanDerWaalsContact CD2-CD1 3.49Å; L58-L95 HydrophobicContact CD2-CG 3.76Å; L58-L95 HydrophobicContact CG-CD1 3.6Å; L58-L95 HydrophobicContact CG-CG 4.39Å; L93-L95 PolarHBondContact O-N 3.29Å; L95-Q97 PolarHBondContact O-N 2.81Å; L95-Q97 VanDerWaalsContact O-N 3.12Å; L95-F98 HydrophobicContact CB-CD2 3.86Å; L95-F98 HydrophobicContact CD1-CD2 3.81Å; L95-F98 HydrophobicContact CD1-CE2 3.79Å; L95-F98 HydrophobicContact CG-CD2 4.49Å; L95-F98 PolarHBondContact O-N 3.18Å
96V60.6Low64.6Low126 Ų12673 Ų7376%0.76439%0.388SS*.THydrogen-bonded Turntrans-59.3-23.2176.4-64.80000112.9F98V96-F98 PolarHBondContact O-N 3.22Å
97Q58.7Low62.8Low114 Ų11475.2 Ų75.253%0.53340%0.402SS..THydrogen-bonded Turntrans-69.4-19.5176-66.2-179.6-200112.8L95 P99 T103L95-Q97 PolarHBondContact O-N 2.81Å; L95-Q97 VanDerWaalsContact O-N 3.12Å; Q97-P99 VanDerWaalsContact C-CD 3.4Å; Q97-P99 VanDerWaalsContact O-CD 3.31Å; Q97-P99 WeakPolarHBondContact O-CD 3.22Å; Q97-T103 WeakPolarHBondContact O-CG2 3.25Å
98F59.3Low61.1Low6 Ų676 Ų763%0.02642%0.422CS..  trans-122.868.1-178-54.8-60.6000112.2V56 L58 L86 L95 V96 S100 T103 L104 T107V56-F98 HydrophobicContact CG1-CE2 3.7Å; V56-F98 HydrophobicContact CG1-CZ 4.25Å; L58-F98 HydrophobicContact CD1-CD2 3.92Å; L58-F98 HydrophobicContact CD1-CE2 4.1Å; L58-F98 HydrophobicContact CD2-CD2 4.45Å; L86-F98 HydrophobicContact CD2-CB 4.21Å; L95-F98 HydrophobicContact CB-CD2 3.86Å; L95-F98 HydrophobicContact CD1-CD2 3.81Å; L95-F98 HydrophobicContact CD1-CE2 3.79Å; L95-F98 HydrophobicContact CG-CD2 4.49Å; L95-F98 PolarHBondContact O-N 3.18Å; V96-F98 PolarHBondContact O-N 3.22Å; F98-S100 PolarHBondContact O-N 2.6Å; F98-T103 HydrophobicContact CD1-CG2 4.3Å; F98-T103 VanDerWaalsContact CD1-O 3.31Å; F98-T103 WeakPolarHBondContact CD1-O 3.48Å; F98-T103 WeakPolarHBondContact CE1-O 3.07Å; F98-L104 HydrophobicContact CB-CD2 4.17Å; F98-L104 HydrophobicContact CD1-CB 4.4Å; F98-L104 HydrophobicContact CD1-CD2 3.54Å; F98-L104 HydrophobicContact CD1-CG 3.98Å; F98-L104 HydrophobicContact CD2-CD2 3.77Å; F98-L104 HydrophobicContact CE1-CD2 3.79Å; F98-L104 HydrophobicContact CE1-CG 4.43Å; F98-L104 HydrophobicContact CE2-CD2 4.01Å; F98-L104 HydrophobicContact CG-CD2 3.53Å; F98-L104 HydrophobicContact CG-CG 4.22Å; F98-L104 HydrophobicContact CZ-CD2 4.01Å; F98-T107 HydrophobicContact CZ-CG2 4.23Å
99P56.7Low59.1Low76 Ų7675.6 Ų75.649%0.49444%0.442SS..SBendtrans-68.9-21.1179.929.2-35.4000113.3L93 Q97L93-P99 HydrophobicContact CD1-CB 3.85Å; Q97-P99 VanDerWaalsContact C-CD 3.4Å; Q97-P99 VanDerWaalsContact O-CD 3.31Å; Q97-P99 WeakPolarHBondContact O-CD 3.22Å
100S58.9Low57Low36 Ų3678 Ų7825%0.25248%0.476SS..SBendtrans-140.8158.6-175.481.10000111.9F98 Y102 T103F98-S100 PolarHBondContact O-N 2.6Å; S100-Y102 PolarHBondContact O-N 2.8Å; S100-Y102 PolarHBondContact OG-N 2.8Å; S100-T103 PolarHBondContact O-N 3.05Å; S100-T103 PolarHBondContact OG-OG1 3.43Å
101H57.6Low56Low116 Ų11675.8 Ų75.854%0.53747%0.467SS..THydrogen-bonded Turntrans-58-15.8173.746.8-89.7000113.6I16I16-H101 HydrophobicContact CD1-CB 4.4Å
102Y53.3Low55.1Low134 Ų13478 Ų7853%0.52547%0.473SS..THydrogen-bonded Turntrans-85.6-13.6175.9-65.2-70.2000113.9S100S100-Y102 PolarHBondContact O-N 2.8Å; S100-Y102 PolarHBondContact OG-N 2.8Å
103T53.9Low54Low33 Ų3380 Ų8020%0.20248%0.483CS..  trans-92.4-7-166.4-43.10000114.3Q97 F98 S100 S105Q97-T103 WeakPolarHBondContact O-CG2 3.25Å; F98-T103 HydrophobicContact CD1-CG2 4.3Å; F98-T103 VanDerWaalsContact CD1-O 3.31Å; F98-T103 WeakPolarHBondContact CD1-O 3.48Å; F98-T103 WeakPolarHBondContact CE1-O 3.07Å; S100-T103 PolarHBondContact O-N 3.05Å; S100-T103 PolarHBondContact OG-OG1 3.43Å; T103-S105 PolarHBondContact O-N 3.03Å
104L54.7Low52.9Low40 Ų4081.4 Ų81.421%0.20949%0.494CS..SBendtrans-67.615.2-176.8-75.3167.9000115.9I16 I18 L58 F98I16-L104 HydrophobicContact CD1-CD1 3.87Å; I18-L104 HydrophobicContact CD1-CD1 3.3Å; L58-L104 HydrophobicContact CD1-CD2 3.51Å; F98-L104 HydrophobicContact CB-CD2 4.17Å; F98-L104 HydrophobicContact CD1-CB 4.4Å; F98-L104 HydrophobicContact CD1-CD2 3.54Å; F98-L104 HydrophobicContact CD1-CG 3.98Å; F98-L104 HydrophobicContact CD2-CD2 3.77Å; F98-L104 HydrophobicContact CE1-CD2 3.79Å; F98-L104 HydrophobicContact CE1-CG 4.43Å; F98-L104 HydrophobicContact CE2-CD2 4.01Å; F98-L104 HydrophobicContact CG-CD2 3.53Å; F98-L104 HydrophobicContact CG-CG 4.22Å; F98-L104 HydrophobicContact CZ-CD2 4.01Å
105S49.6Very low52Low34 Ų3484.1 Ų84.124%0.23851%0.508CS..SBendtrans-123.230-169.758.90000114.3T103T103-S105 PolarHBondContact O-N 3.03Å
106L49.6Very low51.3Low108 Ų10886.6 Ų86.657%0.56553%0.526SS*.  trans-135.33.9-169.9-87.1163.1000117.4K39K39-L106 HydrophobicContact CD-CD2 4.48Å
107T44.5Very low50.7Low67 Ų6783.8 Ų83.841%0.41151%0.509SS..  trans-108.872.9-178.847.30000112.3F98F98-T107 HydrophobicContact CZ-CG2 4.23Å
108S41.9Very low50.1Low124 Ų12481.5 Ų81.587%0.86751%0.507SS*.  trans-170.694158.652.60000108.1
109G37.8Very low49.3Very low83 Ų8387.8 Ų87.886%0.85655%0.547SS*.  trans171.764.8-17700000112.1
110S32.9Very low48.6Very low202 Ų20288.8 Ų88.8100%1.41355%0.552SS**  trans-96.40147.5-53.50000107.5

Retrieved 110 of 110 residues in 78.4 ms (Link to these results)

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