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Signal recognition particle 19 kDa protein

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

AlphaFold DB , UniProt , Accession A0A087WWU9, Species HUMAN (Homo sapiens, Human), Gene SRP19, Length 104 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
1M39.2Very low65.1Low248 Ų24893.4 Ų93.4100%1.22260%0.599SS**  0110.90-72.7-155.7-120.300108.3
2A43.4Very low67Low101 Ų10195.9 Ų95.984%0.83560%0.597SS**  trans-91.8110.8174.900000108.3A4A2-A4 PolarHBondContact O-N 3.2Å
3C38.4Very low68.6Low122 Ų12298.1 Ų98.182%0.82460%0.602SS**  trans-57.7117.5171.1-160.90000107.8A5C3-A5 PolarHBondContact O-N 3.37Å
4A56.4Low70.2Confident88 Ų88101.4 Ų101.473%0.72760%0.598SS**  trans-73.383.4175.600000108.1A2 A6A2-A4 PolarHBondContact O-N 3.2Å; A4-A6 PolarHBondContact O-N 3.01Å
5A61.2Low71.7Confident70 Ų7095.3 Ų95.358%0.57956%0.561SS**  trans-49.2136.7166.100000108.3C3 R7C3-A5 PolarHBondContact O-N 3.37Å; A5-R7 VanDerWaalsContact C-N 3.3Å; A5-R7 WeakPolarHBondContact O-CG 3.4Å; A5-R7 PolarHBondContact O-N 3.17Å
6A59.3Low73.1Confident107 Ų10790.1 Ų90.188%0.88453%0.53SS*.  trans-6195.4174.700000108.3A4 S8A4-A6 PolarHBondContact O-N 3.01Å; A6-S8 PolarHBondContact O-N 3.15Å
7R76.4Confident74.5Confident135 Ų13587.2 Ų87.251%0.50952%0.515SS..  trans-76.3118.6-177.4-66.4-171.9-176.7118.90.3109.1A5 D11 R14A5-R7 VanDerWaalsContact C-N 3.3Å; A5-R7 WeakPolarHBondContact O-CG 3.4Å; A5-R7 PolarHBondContact O-N 3.17Å; R7-D11 VanDerWaalsContact CA-OD2 3.24Å; R7-D11 WeakPolarHBondContact CA-OD2 3.14Å; R7-D11 WeakPolarHBondContact CB-OD2 3.28Å; R7-R14 HydrophobicContact CB-CG 3.81Å
8S84.5Confident75.6Confident18 Ų1882.8 Ų82.813%0.12649%0.489CS..  trans-58.7142176.6171.90000109.6A6 A10 D11 R14 E89A6-S8 PolarHBondContact O-N 3.15Å; S8-A10 PolarHBondContact O-N 2.83Å; S8-A10 VanDerWaalsContact O-N 3.11Å; S8-A10 WeakPolarHBondContact OG-CB 3.21Å; S8-A10 PolarHBondContact OG-N 3.41Å; S8-A10 VanDerWaalsContact OG-N 3.13Å; S8-D11 PolarHBondContact N-OD2 3.39Å; S8-D11 VanDerWaalsContact O-CB 3.28Å; S8-D11 WeakPolarHBondContact O-CB 3.19Å; S8-D11 PolarHBondContact O-N 2.63Å; S8-R14 VanDerWaalsContact O-CG 3.3Å; S8-R14 WeakPolarHBondContact O-CG 3.33Å; S8-E89 WeakPolarHBondContact OG-CA 3.23Å; S8-E89 WeakPolarHBondContact OG-CG 3.4Å
9P82.9Confident76.7Confident38 Ų3879.6 Ų79.625%0.24747%0.467CS..THydrogen-bonded Turntrans-58.5-19.8170.7-20.832.7000113.6D11 K87P9-D11 VanDerWaalsContact C-N 3.32Å; P9-K87 HydrophobicContact CB-CB 3.6Å; P9-K87 HydrophobicContact CG-CB 4.38Å
10A84.6Confident77.7Confident33 Ų3376.1 Ų76.127%0.27345%0.447SS..THydrogen-bonded Turntrans-78.9-10.6173.700000113.9S8 F15 E89S8-A10 PolarHBondContact O-N 2.83Å; S8-A10 VanDerWaalsContact O-N 3.11Å; S8-A10 WeakPolarHBondContact OG-CB 3.21Å; S8-A10 PolarHBondContact OG-N 3.41Å; S8-A10 VanDerWaalsContact OG-N 3.13Å; A10-F15 VanDerWaalsContact O-CE1 3.29Å; A10-F15 WeakPolarHBondContact O-CE1 3.48Å; A10-E89 HydrophobicContact CB-CB 4.13Å
11D89.4Confident78.5Confident67 Ų6772.7 Ų72.736%0.35843%0.427SS..SBendtrans-67.8134.9173.5-64.9-29.8000110R7 S8 P9 D13 R14 F15R7-D11 VanDerWaalsContact CA-OD2 3.24Å; R7-D11 WeakPolarHBondContact CA-OD2 3.14Å; R7-D11 WeakPolarHBondContact CB-OD2 3.28Å; S8-D11 PolarHBondContact N-OD2 3.39Å; S8-D11 VanDerWaalsContact O-CB 3.28Å; S8-D11 WeakPolarHBondContact O-CB 3.19Å; S8-D11 PolarHBondContact O-N 2.63Å; P9-D11 VanDerWaalsContact C-N 3.32Å; D11-D13 PolarHBondContact O-N 2.91Å; D11-R14 HydrophobicContact CB-CG 4.24Å; D11-R14 WeakPolarHBondContact O-CA 3.39Å; D11-R14 WeakPolarHBondContact O-CB 3.42Å; D11-R14 PolarHBondContact O-N 2.95Å; D11-F15 VanDerWaalsContact O-CD1 3.22Å; D11-F15 WeakPolarHBondContact O-CD1 3.28Å; D11-F15 PolarHBondContact O-N 3.26Å
12Q88Confident81.2Confident124 Ų12462.9 Ų62.958%0.57938%0.377SS*.G310 helixtrans-55.2-31.3-179.2-68.6-174.9-1.200112.8R14 F15 F61 R83Q12-R14 VanDerWaalsContact C-N 3.26Å; Q12-R14 PolarHBondContact O-N 3.07Å; Q12-F15 HydrophobicContact CG-CZ 4.48Å; Q12-F15 WeakPolarHBondContact O-CB 3.31Å; Q12-F15 PolarHBondContact O-N 2.93Å; Q12-F61 HydrophobicContact CB-CE1 3.86Å; Q12-F61 HydrophobicContact CB-CZ 3.93Å; Q12-F61 HydrophobicContact CG-CE1 3.9Å; Q12-F61 HydrophobicContact CG-CZ 4.36Å; Q12-R83 PolarHBondContact O-NH2 3.37Å
13D88.2Confident83.7Confident124 Ų12459.9 Ų59.966%0.66335%0.347SS*.G310 helixtrans-67.4-23.2176.4-73.5-17.9000113.7D11 R83D11-D13 PolarHBondContact O-N 2.91Å; D13-R83 PolarHBondContact O-NH2 2.86Å
14R90.6Very high86.4Confident145 Ų14554.3 Ų54.355%0.54731%0.309SS..G310 helixtrans-91.8-9.1179.3-66.4-65.3-60.7-126.6-6.4113.5R7 S8 D11 Q12R7-R14 HydrophobicContact CB-CG 3.81Å; S8-R14 VanDerWaalsContact O-CG 3.3Å; S8-R14 WeakPolarHBondContact O-CG 3.33Å; D11-R14 HydrophobicContact CB-CG 4.24Å; D11-R14 WeakPolarHBondContact O-CA 3.39Å; D11-R14 WeakPolarHBondContact O-CB 3.42Å; D11-R14 PolarHBondContact O-N 2.95Å; Q12-R14 VanDerWaalsContact C-N 3.26Å; Q12-R14 PolarHBondContact O-N 3.07Å
15F93.5Very high88.3Confident9 Ų952.4 Ų52.44%0.03929%0.287CS..SBendtrans-59149.6176.7-73.117.1000111.1A10 D11 Q12 F61 R83 V84 Q85A10-F15 VanDerWaalsContact O-CE1 3.29Å; A10-F15 WeakPolarHBondContact O-CE1 3.48Å; D11-F15 VanDerWaalsContact O-CD1 3.22Å; D11-F15 WeakPolarHBondContact O-CD1 3.28Å; D11-F15 PolarHBondContact O-N 3.26Å; Q12-F15 HydrophobicContact CG-CZ 4.48Å; Q12-F15 WeakPolarHBondContact O-CB 3.31Å; Q12-F15 PolarHBondContact O-N 2.93Å; F15-F61 AromaticContact CD2-CD1 3.91Å; F15-F61 HydrophobicContact CD2-CD1 3.91Å; F15-F61 AromaticContact CD2-CE1 3.42Å; F15-F61 HydrophobicContact CD2-CE1 3.42Å; F15-F61 VanDerWaalsContact CD2-CE1 3.42Å; F15-F61 HydrophobicContact CD2-CZ 4.48Å; F15-F61 AromaticContact CE2-CD1 3.98Å; F15-F61 HydrophobicContact CE2-CD1 3.98Å; F15-F61 AromaticContact CE2-CE1 3.75Å; F15-F61 HydrophobicContact CE2-CE1 3.75Å; F15-F61 HydrophobicContact CG-CE1 4.29Å; F15-R83 HydrophobicContact CB-CB 4.09Å; F15-R83 HydrophobicContact CD2-CB 4.28Å; F15-R83 PolarHBondContact O-NH1 3.43Å; F15-R83 PolarHBondContact O-NH2 3.49Å; F15-R83 VanDerWaalsContact O-NH2 3.07Å; F15-V84 WeakPolarHBondContact CA-O 3.38Å; F15-V84 WeakPolarHBondContact CB-O 2.96Å; F15-Q85 HydrophobicContact CD1-CB 4.04Å; F15-Q85 HydrophobicContact CD1-CG 4.08Å; F15-Q85 HydrophobicContact CD2-CB 4.16Å; F15-Q85 HydrophobicContact CE1-CB 3.63Å; F15-Q85 HydrophobicContact CE1-CG 3.46Å; F15-Q85 VanDerWaalsContact CE1-CG 3.46Å; F15-Q85 HydrophobicContact CE2-CB 3.76Å; F15-Q85 HydrophobicContact CE2-CG 4.46Å; F15-Q85 HydrophobicContact CG-CB 4.32Å; F15-Q85 HydrophobicContact CZ-CB 3.5Å; F15-Q85 HydrophobicContact CZ-CG 3.71Å
16I94.3Very high89.9Confident13 Ų1354.9 Ų54.97%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-74.3150.7179.166.1161000109.9I18 R83 V84 L86 R101 V104I16-I18 HydrophobicContact CD1-CD1 4.26Å; I16-I18 HydrophobicContact CD1-CG1 4.31Å; I16-R83 VanDerWaalsContact O-CA 3.28Å; I16-R83 WeakPolarHBondContact O-CA 3.29Å; I16-V84 HydrophobicContact CD1-CB 4.07Å; I16-V84 HydrophobicContact CG1-CB 3.66Å; I16-V84 HydrophobicContact CG1-CG1 4.5Å; I16-V84 HydrophobicContact CG1-CG2 4.4Å; I16-V84 WeakPolarHBondContact CG1-O 3.27Å; I16-V84 PolarHBondContact N-O 3.13Å; I16-V84 PolarHBondContact O-N 3.06Å; I16-L86 HydrophobicContact CD1-CD1 4.01Å; I16-L86 HydrophobicContact CD1-CD2 4.2Å; I16-L86 HydrophobicContact CD1-CG 3.98Å; I16-L86 HydrophobicContact CG1-CD1 4.49Å; I16-L86 HydrophobicContact CG1-CG 4.25Å; I16-L86 HydrophobicContact CG2-CD1 3.74Å; I16-L86 HydrophobicContact CG2-CG 4.04Å; I16-R101 HydrophobicContact CB-CG 4.07Å; I16-R101 HydrophobicContact CD1-CB 4.16Å; I16-R101 HydrophobicContact CD1-CG 3.82Å; I16-R101 HydrophobicContact CG2-CG 3.78Å; I16-V104 HydrophobicContact CD1-CB 4.49Å; I16-V104 HydrophobicContact CD1-CG2 4.31Å
17C95.4Very high91.6Very high40 Ų4051 Ų5127%0.2725%0.247SC..EExtended strand (participates in β ladder)trans-97.2130.5174.3-620000110.2Y19 R81 R83C17-Y19 HydrophobicContact CB-CD2 4.48Å; C17-Y19 HydrophobicContact CB-CE2 4.23Å; C17-R81 HydrophobicContact CB-CG 4.19Å; C17-R83 PolarHBondContact SG-NH1 3.1Å
18I95.9Very high92.5Very high9 Ų947.9 Ų47.95%0.04624%0.244CC..EExtended strand (participates in β ladder)trans-118.5122.1166.1-56-179.9000107.6I16 I49 V82 V84 V104I16-I18 HydrophobicContact CD1-CD1 4.26Å; I16-I18 HydrophobicContact CD1-CG1 4.31Å; I18-I49 HydrophobicContact CG2-CD1 4.43Å; I18-I49 HydrophobicContact CG2-CG2 4.08Å; I18-V82 HydrophobicContact CB-CB 4.37Å; I18-V82 PolarHBondContact N-O 3.33Å; I18-V82 PolarHBondContact O-N 2.78Å; I18-V84 HydrophobicContact CD1-CG2 3.78Å; I18-V84 HydrophobicContact CG1-CG2 4.36Å; I18-V104 HydrophobicContact CD1-CB 4.12Å; I18-V104 HydrophobicContact CD1-CG1 3.48Å; I18-V104 VanDerWaalsContact CD1-CG1 3.48Å
19Y95.9Very high93Very high22 Ų2252.5 Ų52.59%0.08627%0.265CS..  trans-104.6145.8172.1-74.1-83.8000109.3C17 A21 Y22 M67 Y68 R81C17-Y19 HydrophobicContact CB-CD2 4.48Å; C17-Y19 HydrophobicContact CB-CE2 4.23Å; Y19-A21 PolarHBondContact O-N 3.39Å; Y19-A21 VanDerWaalsContact O-N 3.13Å; Y19-Y22 HydrophobicContact CD2-CE1 4.22Å; Y19-Y22 HydrophobicContact CD2-CE2 4Å; Y19-Y22 AromaticContact CD2-CZ 3.62Å; Y19-Y22 WeakPolarHBondContact CD2-OH 3.3Å; Y19-Y22 VanDerWaalsContact O-CB 3.32Å; Y19-Y22 WeakPolarHBondContact O-CB 3.42Å; Y19-Y22 PolarHBondContact O-N 2.93Å; Y19-M67 WeakPolarHBondContact CE1-O 3.36Å; Y19-M67 PolarHBondContact OH-O 2.91Å; Y19-Y68 HydrophobicContact CD1-CD2 4.16Å; Y19-Y68 HydrophobicContact CD1-CG 4.26Å; Y19-Y68 AromaticContact CD2-CD2 3.73Å; Y19-Y68 HydrophobicContact CD2-CD2 3.73Å; Y19-Y68 HydrophobicContact CD2-CE2 4.36Å; Y19-Y68 HydrophobicContact CE1-CD2 4.32Å; Y19-Y68 AromaticContact CE2-CD2 3.92Å; Y19-Y68 HydrophobicContact CE2-CD2 3.92Å; Y19-Y68 AromaticContact CG-CD2 3.81Å; Y19-Y68 HydrophobicContact CG-CD2 3.81Å; Y19-Y68 HydrophobicContact CG-CG 4.15Å; Y19-R81 HydrophobicContact CD1-CB 4.14Å; Y19-R81 HydrophobicContact CD1-CG 4.22Å; Y19-R81 HydrophobicContact CD2-CG 4.46Å; Y19-R81 HydrophobicContact CE1-CB 3.84Å; Y19-R81 HydrophobicContact CE1-CG 3.91Å; Y19-R81 HydrophobicContact CE2-CG 4.17Å; Y19-R81 VanDerWaalsContact OH-CD 3.27Å; Y19-R81 WeakPolarHBondContact OH-CD 3.32Å; Y19-R81 PolarHBondContact OH-NH1 3.11Å
20P95.5Very high93.6Very high9 Ų954.3 Ų54.36%0.05828%0.284CS..G310 helixtrans-57.1-32.7178.8-2331.7000113.6Y22 L23 N24 P44 A46 I49 G80P20-Y22 PolarHBondContact O-N 2.82Å; P20-L23 PolarHBondContact O-N 3.37Å; P20-L23 VanDerWaalsContact O-N 3.1Å; P20-N24 PolarHBondContact O-N 2.93Å; P20-P44 HydrophobicContact CB-CG 4.26Å; P20-P44 VanDerWaalsContact CB-O 3.23Å; P20-P44 WeakPolarHBondContact CB-O 3.43Å; P20-P44 VanDerWaalsContact O-CG 3.29Å; P20-P44 WeakPolarHBondContact O-CG 3.33Å; P20-A46 HydrophobicContact CG-CB 3.87Å; P20-I49 HydrophobicContact CB-CD1 4.23Å; P20-I49 HydrophobicContact CG-CD1 4.26Å; P20-G80 WeakPolarHBondContact CD-O 3.37Å
21A95.8Very high94Very high4 Ų456.8 Ų56.83%0.03329%0.29CS..G310 helixtrans-56.4-24.1175.300000114.3Y19 L23 K27 R33 Y68Y19-A21 PolarHBondContact O-N 3.39Å; Y19-A21 VanDerWaalsContact O-N 3.13Å; A21-L23 VanDerWaalsContact C-N 3.31Å; A21-L23 PolarHBondContact O-N 3.13Å; A21-K27 HydrophobicContact CB-CD 3.71Å; A21-R33 WeakPolarHBondContact O-CA 3.42Å; A21-Y68 HydrophobicContact CB-CD1 3.74Å; A21-Y68 HydrophobicContact CB-CE1 4.12Å; A21-Y68 HydrophobicContact CB-CG 4.44Å
22Y96Very high94.2Very high42 Ų4253.6 Ų53.617%0.16527%0.273CS..G310 helixtrans-70.4-31.3-179.4-63.6-8.4000112.5Y19 P20 G32 R34 Y68Y19-Y22 HydrophobicContact CD2-CE1 4.22Å; Y19-Y22 HydrophobicContact CD2-CE2 4Å; Y19-Y22 AromaticContact CD2-CZ 3.62Å; Y19-Y22 WeakPolarHBondContact CD2-OH 3.3Å; Y19-Y22 VanDerWaalsContact O-CB 3.32Å; Y19-Y22 WeakPolarHBondContact O-CB 3.42Å; Y19-Y22 PolarHBondContact O-N 2.93Å; P20-Y22 PolarHBondContact O-N 2.82Å; Y22-G32 WeakPolarHBondContact CD1-O 3.27Å; Y22-R34 HydrophobicContact CD1-CG 3.86Å; Y22-R34 HydrophobicContact CD2-CG 4.26Å; Y22-R34 HydrophobicContact CE1-CG 4.44Å; Y22-R34 HydrophobicContact CG-CG 3.76Å; Y22-R34 PolarHBondContact O-N 2.87Å; Y22-Y68 HydrophobicContact CE1-CD2 4.29Å; Y22-Y68 HydrophobicContact CE1-CE1 4.5Å; Y22-Y68 AromaticContact CE1-CE2 3.73Å; Y22-Y68 HydrophobicContact CE1-CE2 3.73Å; Y22-Y68 AromaticContact CE1-CZ 3.84Å
23L96.1Very high94.6Very high38 Ų3849.2 Ų49.220%0.19925%0.251CS..THydrogen-bonded Turntrans-101.6-9.2-174.4-57.2176.7000112.9P20 A21 N25 I35 A40 V41 P44 I49P20-L23 PolarHBondContact O-N 3.37Å; P20-L23 VanDerWaalsContact O-N 3.1Å; A21-L23 VanDerWaalsContact C-N 3.31Å; A21-L23 PolarHBondContact O-N 3.13Å; L23-N25 PolarHBondContact O-N 3.35Å; L23-I35 HydrophobicContact CB-CD1 4.32Å; L23-I35 HydrophobicContact CD2-CD1 3.65Å; L23-I35 HydrophobicContact CD2-CG1 4.3Å; L23-I35 HydrophobicContact CD2-CG2 4.38Å; L23-A40 WeakPolarHBondContact O-CA 3.19Å; L23-A40 WeakPolarHBondContact O-CB 3.37Å; L23-V41 HydrophobicContact CB-CG2 4.21Å; L23-V41 PolarHBondContact O-N 3.37Å; L23-P44 HydrophobicContact CB-CG 4.04Å; L23-I49 HydrophobicContact CD1-CD1 3.79Å; L23-I49 HydrophobicContact CD1-CG1 3.94Å
24N95.4Very high95Very high5 Ų550.4 Ų50.43%0.02725%0.246CC..BIsolated β-bridgetrans-75123.4-174.7-166.8-30.2000111.9P20 K26 K27 R33 V41 N43 P44P20-N24 PolarHBondContact O-N 2.93Å; N24-K26 WeakPolarHBondContact OD1-CB 3.24Å; N24-K26 PolarHBondContact OD1-N 3.28Å; N24-K27 HydrophobicContact CB-CB 4.42Å; N24-K27 HydrophobicContact CB-CD 4.27Å; N24-K27 HydrophobicContact CB-CG 4.18Å; N24-K27 PolarHBondContact O-N 2.81Å; N24-R33 WeakPolarHBondContact O-CD 3.47Å; N24-V41 CarbonylContact C-O 3.59Å; N24-V41 WeakPolarHBondContact CA-O 3.28Å; N24-N43 PolarHBondContact ND2-OD1 3.16Å; N24-P44 HydrophobicContact CB-CG 4.16Å
25N96.1Very high95.2Very high49 Ų4944.8 Ų44.826%0.26223%0.227SC..THydrogen-bonded Turntrans-72.7-24.1178.965.84.5000114.1L23 K27 I37 A40 V41 E42L23-N25 PolarHBondContact O-N 3.35Å; N25-K27 PolarHBondContact O-N 3.44Å; N25-I37 HydrophobicContact CB-CG2 4.42Å; N25-A40 HydrophobicContact CB-CB 3.55Å; N25-V41 PolarHBondContact N-O 2.76Å; N25-V41 PolarHBondContact OD1-O 3.04Å; N25-E42 WeakPolarHBondContact OD1-CA 3.28Å
26K94.3Very high95.3Very high122 Ų12247.2 Ų47.253%0.5324%0.243SC..THydrogen-bonded Turntrans-76.9-11.6176.9-69.8177.1173.6170.90112.9N24 E42 N43N24-K26 WeakPolarHBondContact OD1-CB 3.24Å; N24-K26 PolarHBondContact OD1-N 3.28Å; K26-E42 HydrophobicContact CD-CG 4.35Å; K26-E42 WeakPolarHBondContact CE-OE1 3.42Å; K26-E42 IonicContact NZ-OE1 2.59Å; K26-E42 PolarHBondContact NZ-OE1 3.2Å; K26-N43 PolarHBondContact NZ-ND2 3.02Å
27K94.1Very high95.3Very high24 Ų2451.5 Ų51.510%0.10427%0.265CS..SBendtrans-96.4140.6178.3-67.9-171.4-175.6-720111.7A21 N24 N25 E31 R33 E71A21-K27 HydrophobicContact CB-CD 3.71Å; N24-K27 HydrophobicContact CB-CB 4.42Å; N24-K27 HydrophobicContact CB-CD 4.27Å; N24-K27 HydrophobicContact CB-CG 4.18Å; N24-K27 PolarHBondContact O-N 2.81Å; N25-K27 PolarHBondContact O-N 3.44Å; K27-E31 HydrophobicContact CB-CB 4.08Å; K27-E31 HydrophobicContact CD-CB 4.5Å; K27-E31 HydrophobicContact CG-CB 4.38Å; K27-R33 HydrophobicContact CB-CB 4.44Å; K27-R33 WeakPolarHBondContact O-CB 3.45Å; K27-R33 VanDerWaalsContact O-CD 3.3Å; K27-R33 WeakPolarHBondContact O-CD 3.28Å; K27-R33 PolarHBondContact O-NE 3.04Å; K27-E71 WeakPolarHBondContact CE-OE2 3.44Å; K27-E71 VanDerWaalsContact NZ-CD 3.32Å; K27-E71 IonicContact NZ-OE1 3.19Å; K27-E71 PolarHBondContact NZ-OE1 3.46Å; K27-E71 IonicContact NZ-OE2 2.66Å; K27-E71 PolarHBondContact NZ-OE2 3.25Å
28T95.6Very high95.3Very high71 Ų7155 Ų5544%0.43629%0.29SS..  trans-75.6170.3170.264.50000111.3A30 E31 G32 R33T28-A30 VanDerWaalsContact C-N 3.26Å; T28-A30 PolarHBondContact O-N 2.88Å; T28-E31 WeakPolarHBondContact CB-OE2 3.38Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.29Å; T28-E31 PolarHBondContact N-OE2 3.41Å; T28-E31 PolarHBondContact O-N 3.44Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.18Å; T28-E31 PolarHBondContact OG1-N 3.34Å; T28-E31 PolarHBondContact OG1-OE2 3.05Å; T28-G32 PolarHBondContact O-N 2.82Å; T28-R33 WeakPolarHBondContact O-CB 3.46Å; T28-R33 PolarHBondContact O-N 3.11Å
29I94.8Very high95.3Very high114 Ų11462.4 Ų62.459%0.58532%0.322SS*.THydrogen-bonded Turntrans-63.4-36.8174.9-60176.5000110.5E31 G32I29-E31 VanDerWaalsContact C-N 3.33Å; I29-E31 PolarHBondContact O-N 3.23Å; I29-G32 PolarHBondContact O-N 3.15Å
30A95.1Very high95.2Very high76 Ų7662 Ų6263%0.62832%0.323SS*.THydrogen-bonded Turntrans-63-40.8176.400000111.5T28 G32 R70T28-A30 VanDerWaalsContact C-N 3.26Å; T28-A30 PolarHBondContact O-N 2.88Å; A30-G32 PolarHBondContact O-N 3.13Å; A30-R70 VanDerWaalsContact O-CD 3.32Å; A30-R70 WeakPolarHBondContact O-CD 3.31Å; A30-R70 PolarHBondContact O-NH1 3.04Å
31E93.8Very high95.3Very high86 Ų8665.1 Ų65.140%0.40234%0.342SS..THydrogen-bonded Turntrans-75.6-7.4177.7-67.4165.9133.200114.1K27 T28 I29K27-E31 HydrophobicContact CB-CB 4.08Å; K27-E31 HydrophobicContact CD-CB 4.5Å; K27-E31 HydrophobicContact CG-CB 4.38Å; T28-E31 WeakPolarHBondContact CB-OE2 3.38Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.29Å; T28-E31 PolarHBondContact N-OE2 3.41Å; T28-E31 PolarHBondContact O-N 3.44Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.18Å; T28-E31 PolarHBondContact OG1-N 3.34Å; T28-E31 PolarHBondContact OG1-OE2 3.05Å; I29-E31 VanDerWaalsContact C-N 3.33Å; I29-E31 PolarHBondContact O-N 3.23Å
32G94.6Very high95.2Very high0 Ų070.8 Ų70.80%037%0.367CS..THydrogen-bonded Turntrans124.8-516800000115.9Y22 T28 I29 A30 R34Y22-G32 WeakPolarHBondContact CD1-O 3.27Å; T28-G32 PolarHBondContact O-N 2.82Å; I29-G32 PolarHBondContact O-N 3.15Å; A30-G32 PolarHBondContact O-N 3.13Å; G32-R34 WeakPolarHBondContact O-CG 3.39Å; G32-R34 PolarHBondContact O-N 3.05Å
33R96.3Very high95Very high32 Ų3271.4 Ų71.412%0.12137%0.374CS..  trans-57.4134.7178.5-178.6175.753.179-3.8111.1A21 N24 K27 T28 I35A21-R33 WeakPolarHBondContact O-CA 3.42Å; N24-R33 WeakPolarHBondContact O-CD 3.47Å; K27-R33 HydrophobicContact CB-CB 4.44Å; K27-R33 WeakPolarHBondContact O-CB 3.45Å; K27-R33 VanDerWaalsContact O-CD 3.3Å; K27-R33 WeakPolarHBondContact O-CD 3.28Å; K27-R33 PolarHBondContact O-NE 3.04Å; T28-R33 WeakPolarHBondContact O-CB 3.46Å; T28-R33 PolarHBondContact O-N 3.11Å; R33-I35 VanDerWaalsContact CD-O 3.31Å; R33-I35 WeakPolarHBondContact CD-O 3.47Å; R33-I35 VanDerWaalsContact CG-O 3.27Å; R33-I35 WeakPolarHBondContact CG-O 3.4Å; R33-I35 PolarHBondContact NH1-O 3.17Å
34R95.2Very high95Very high149 Ų14970.1 Ų70.156%0.56237%0.368SS*.  trans-114.3-15.6-178-61.7-58.6-172.4167.51.8114.2Y22 G32Y22-R34 HydrophobicContact CD1-CG 3.86Å; Y22-R34 HydrophobicContact CD2-CG 4.26Å; Y22-R34 HydrophobicContact CE1-CG 4.44Å; Y22-R34 HydrophobicContact CG-CG 3.76Å; Y22-R34 PolarHBondContact O-N 2.87Å; G32-R34 WeakPolarHBondContact O-CG 3.39Å; G32-R34 PolarHBondContact O-N 3.05Å
35I94.9Very high94.9Very high27 Ų2771.8 Ų71.814%0.13838%0.378CS..SBendtrans-112.6155.2-178.859.4167.4000111.5L23 R33 K39 A40L23-I35 HydrophobicContact CB-CD1 4.32Å; L23-I35 HydrophobicContact CD2-CD1 3.65Å; L23-I35 HydrophobicContact CD2-CG1 4.3Å; L23-I35 HydrophobicContact CD2-CG2 4.38Å; R33-I35 VanDerWaalsContact CD-O 3.31Å; R33-I35 WeakPolarHBondContact CD-O 3.47Å; R33-I35 VanDerWaalsContact CG-O 3.27Å; R33-I35 WeakPolarHBondContact CG-O 3.4Å; R33-I35 PolarHBondContact NH1-O 3.17Å; I35-K39 WeakPolarHBondContact CD1-O 3.22Å; I35-A40 HydrophobicContact CD1-CB 3.89Å; I35-A40 HydrophobicContact CG1-CB 4Å
36P95.8Very high94.9Very high59 Ų5969.6 Ų69.638%0.38337%0.367SS..  trans-62.1149.4175.127.2-35.6000111.3S38 K39 A40P36-S38 PolarHBondContact O-N 3.33Å; P36-K39 HydrophobicContact CG-CB 4.29Å; P36-K39 HydrophobicContact CG-CD 4.26Å; P36-K39 HydrophobicContact CG-CG 4.24Å; P36-K39 PolarHBondContact O-N 3.49Å; P36-A40 PolarHBondContact O-N 3.07Å; P36-A40 VanDerWaalsContact O-N 3.17Å
37I94.6Very high94.9Very high104 Ų10467.2 Ų67.253%0.53336%0.362SS..G310 helixtrans-58.3-36.7-175.8-62.9173.5000111.5N25 K39 A40N25-I37 HydrophobicContact CB-CG2 4.42Å; I37-K39 PolarHBondContact O-N 2.83Å; I37-K39 VanDerWaalsContact O-N 3.13Å; I37-A40 PolarHBondContact O-N 3.36Å
38S96.1Very high95Very high113 Ų11371 Ų7179%0.7938%0.381SS*.G310 helixtrans-61.8-19.6178.654.20000114.9P36P36-S38 PolarHBondContact O-N 3.33Å
39K95Very high95Very high164 Ų16468.4 Ų68.471%0.71336%0.364SS*.G310 helixtrans-111.1-3.3175.9-62.4-172.4175.7-171.40112.6I35 P36 I37I35-K39 WeakPolarHBondContact CD1-O 3.22Å; P36-K39 HydrophobicContact CG-CB 4.29Å; P36-K39 HydrophobicContact CG-CD 4.26Å; P36-K39 HydrophobicContact CG-CG 4.24Å; P36-K39 PolarHBondContact O-N 3.49Å; I37-K39 PolarHBondContact O-N 2.83Å; I37-K39 VanDerWaalsContact O-N 3.13Å
40A94.9Very high95Very high13 Ų1365.2 Ų65.211%0.10735%0.347CS..  trans-83.8149.4-177.300000110.4L23 N25 I35 P36 I37L23-A40 WeakPolarHBondContact O-CA 3.19Å; L23-A40 WeakPolarHBondContact O-CB 3.37Å; N25-A40 HydrophobicContact CB-CB 3.55Å; I35-A40 HydrophobicContact CD1-CB 3.89Å; I35-A40 HydrophobicContact CG1-CB 4Å; P36-A40 PolarHBondContact O-N 3.07Å; P36-A40 VanDerWaalsContact O-N 3.17Å; I37-A40 PolarHBondContact O-N 3.36Å
41V95.9Very high95Very high76 Ų7666 Ų6646%0.46134%0.34SS..BIsolated β-bridgetrans-107.1154.5-176.8-65.80000110.5L23 N24 N25 P44L23-V41 HydrophobicContact CB-CG2 4.21Å; L23-V41 PolarHBondContact O-N 3.37Å; N24-V41 CarbonylContact C-O 3.59Å; N24-V41 WeakPolarHBondContact CA-O 3.28Å; N25-V41 PolarHBondContact N-O 2.76Å; N25-V41 PolarHBondContact OD1-O 3.04Å; V41-P44 HydrophobicContact CG2-CB 3.69Å; V41-P44 HydrophobicContact CG2-CG 3.86Å
42E94.6Very high95.1Very high122 Ų12266.6 Ų66.657%0.5735%0.349SS*.SBendtrans-80.3125.1178.3-175.1172.5175.600110.3N25 K26N25-E42 WeakPolarHBondContact OD1-CA 3.28Å; K26-E42 HydrophobicContact CD-CG 4.35Å; K26-E42 WeakPolarHBondContact CE-OE1 3.42Å; K26-E42 IonicContact NZ-OE1 2.59Å; K26-E42 PolarHBondContact NZ-OE1 3.2Å
43N92.1Very high95.1Very high56 Ų5667.1 Ų67.130%0.29935%0.353SS..SBendtrans44.555.5173.3-64.9-27.2000115.2N24 K26N24-N43 PolarHBondContact ND2-OD1 3.16Å; K26-N43 PolarHBondContact NZ-ND2 3.02Å
44P95.1Very high95Very high11 Ų1169 Ų697%0.07137%0.371CS..  trans-62.6144.8176.427.3-33.1000110.6P20 L23 N24 V41 I49P20-P44 HydrophobicContact CB-CG 4.26Å; P20-P44 VanDerWaalsContact CB-O 3.23Å; P20-P44 WeakPolarHBondContact CB-O 3.43Å; P20-P44 VanDerWaalsContact O-CG 3.29Å; P20-P44 WeakPolarHBondContact O-CG 3.33Å; L23-P44 HydrophobicContact CB-CG 4.04Å; N24-P44 HydrophobicContact CB-CG 4.16Å; V41-P44 HydrophobicContact CG2-CB 3.69Å; V41-P44 HydrophobicContact CG2-CG 3.86Å; P44-I49 HydrophobicContact CB-CD1 4.44Å
45T94.8Very high94.9Very high40 Ų4066.1 Ų66.125%0.24538%0.379CS..  trans-102.6154.4171.168.60000111T47 E48 I49T45-T47 PolarHBondContact O-N 3.47Å; T45-E48 WeakPolarHBondContact CB-OE2 3.38Å; T45-E48 PolarHBondContact N-OE2 3Å; T45-E48 PolarHBondContact O-N 3.28Å; T45-E48 WeakPolarHBondContact OG1-CG 3.3Å; T45-E48 PolarHBondContact OG1-N 2.9Å; T45-E48 PolarHBondContact OG1-OE2 2.73Å; T45-I49 VanDerWaalsContact O-CG1 3.32Å; T45-I49 WeakPolarHBondContact O-CG1 3.49Å; T45-I49 PolarHBondContact O-N 3.46Å
46A95.3Very high94.8Very high3 Ų368 Ų683%0.02539%0.392CS..Hα-helixtrans-66-27178.300000112.8P20 Q50 L62 V82P20-A46 HydrophobicContact CG-CB 3.87Å; A46-Q50 PolarHBondContact O-N 2.88Å; A46-Q50 VanDerWaalsContact O-N 3.08Å; A46-L62 HydrophobicContact CB-CD1 3.5Å; A46-L62 VanDerWaalsContact CB-CD1 3.5Å; A46-V82 HydrophobicContact CB-CG2 4.29Å; A46-V82 WeakPolarHBondContact O-CG2 3.4Å
47T95.4Very high94.6Very high71 Ų7167.9 Ų67.944%0.43640%0.401SS..Hα-helixtrans-67.4-49.4175.9-49.50000111T45 I49 Q50 D51T45-T47 PolarHBondContact O-N 3.47Å; T47-I49 VanDerWaalsContact C-N 3.28Å; T47-I49 PolarHBondContact O-N 3.19Å; T47-Q50 WeakPolarHBondContact O-CB 3.49Å; T47-Q50 PolarHBondContact O-N 3.45Å; T47-D51 VanDerWaalsContact O-CG 3.26Å; T47-D51 PolarHBondContact O-N 3.41Å
48E95.1Very high94.4Very high105 Ų10563.4 Ų63.449%0.49138%0.378SS..Hα-helixtrans-59.6-40.7177.5-69.4160.1147.800111.7T45 Q50 D51 V52T45-E48 WeakPolarHBondContact CB-OE2 3.38Å; T45-E48 PolarHBondContact N-OE2 3Å; T45-E48 PolarHBondContact O-N 3.28Å; T45-E48 WeakPolarHBondContact OG1-CG 3.3Å; T45-E48 PolarHBondContact OG1-N 2.9Å; T45-E48 PolarHBondContact OG1-OE2 2.73Å; E48-Q50 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 3.06Å; E48-D51 PolarHBondContact O-N 3.08Å; E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 2.93Å
49I95.4Very high94.2Very high15 Ų1562.1 Ų62.18%0.07736%0.362CS..Hα-helixtrans-61-44.2176.2-63.3166.5000110.3I18 P20 L23 P44 T45 T47 C53 V82I18-I49 HydrophobicContact CG2-CD1 4.43Å; I18-I49 HydrophobicContact CG2-CG2 4.08Å; P20-I49 HydrophobicContact CB-CD1 4.23Å; P20-I49 HydrophobicContact CG-CD1 4.26Å; L23-I49 HydrophobicContact CD1-CD1 3.79Å; L23-I49 HydrophobicContact CD1-CG1 3.94Å; P44-I49 HydrophobicContact CB-CD1 4.44Å; T45-I49 VanDerWaalsContact O-CG1 3.32Å; T45-I49 WeakPolarHBondContact O-CG1 3.49Å; T45-I49 PolarHBondContact O-N 3.46Å; T47-I49 VanDerWaalsContact C-N 3.28Å; T47-I49 PolarHBondContact O-N 3.19Å; I49-C53 WeakPolarHBondContact O-CB 3.35Å; I49-C53 PolarHBondContact O-N 3.26Å; I49-C53 PolarHBondContact O-SG 2.95Å; I49-V82 HydrophobicContact CB-CG2 3.96Å; I49-V82 HydrophobicContact CG2-CB 4.15Å; I49-V82 HydrophobicContact CG2-CG1 4.36Å; I49-V82 HydrophobicContact CG2-CG2 3.79Å
50Q95.6Very high94.2Very high48 Ų4855.1 Ų55.122%0.22433%0.334CS..Hα-helixtrans-60.8-47.8176.1-177.7-171.112.800111.1A46 T47 E48 V52 C53 S54 V60 L62 V82A46-Q50 PolarHBondContact O-N 2.88Å; A46-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 WeakPolarHBondContact O-CB 3.49Å; T47-Q50 PolarHBondContact O-N 3.45Å; E48-Q50 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 3.06Å; Q50-V52 PolarHBondContact O-N 2.91Å; Q50-C53 PolarHBondContact O-N 3.1Å; Q50-S54 WeakPolarHBondContact O-CB 3.37Å; Q50-S54 PolarHBondContact O-N 3.13Å; Q50-V60 HydrophobicContact CG-CG2 3.94Å; Q50-L62 HydrophobicContact CB-CB 4.47Å; Q50-L62 HydrophobicContact CG-CB 4.36Å; Q50-V82 HydrophobicContact CB-CG2 4.35Å
51D95.6Very high94.2Very high93 Ų9357.1 Ų57.150%0.49734%0.34SS..Hα-helixtrans-62.2-44.8-175.2-66.3-23.1000111.2T47 E48 S54 A55T47-D51 VanDerWaalsContact O-CG 3.26Å; T47-D51 PolarHBondContact O-N 3.41Å; E48-D51 PolarHBondContact O-N 3.08Å; D51-S54 PolarHBondContact O-N 2.9Å; D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.21Å; D51-A55 PolarHBondContact O-N 2.85Å
52V95.3Very high94.2Very high97 Ų9754.7 Ų54.759%0.58832%0.324SS*.Hα-helixtrans-66.5-45.3177.4176.40000111.3E48 Q50 S54 A55 V56E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 2.93Å; Q50-V52 PolarHBondContact O-N 2.91Å; V52-S54 VanDerWaalsContact C-N 3.32Å; V52-S54 PolarHBondContact O-N 3.43Å; V52-A55 PolarHBondContact O-N 2.93Å; V52-V56 VanDerWaalsContact O-CG2 3.31Å; V52-V56 WeakPolarHBondContact O-CG2 3.32Å; V52-V56 PolarHBondContact O-N 3.48Å; V52-V56 VanDerWaalsContact O-N 3.16Å
53C93.7Very high94.2Very high12 Ų1251.1 Ų51.18%0.08131%0.307CS..Hα-helixtrans-64.1-38.9178.1-680000112.1I49 Q50 V56 G57 L58 V60I49-C53 WeakPolarHBondContact O-CB 3.35Å; I49-C53 PolarHBondContact O-N 3.26Å; I49-C53 PolarHBondContact O-SG 2.95Å; Q50-C53 PolarHBondContact O-N 3.1Å; C53-V56 PolarHBondContact O-N 3Å; C53-G57 PolarHBondContact O-N 3.23Å; C53-L58 HydrophobicContact CB-CD1 4.39Å; C53-L58 WeakPolarHBondContact O-CB 3.32Å; C53-L58 PolarHBondContact O-N 3.05Å; C53-L58 VanDerWaalsContact O-N 3.11Å; C53-V60 HydrophobicContact CB-CB 4.47Å; C53-V60 HydrophobicContact CB-CG1 3.64Å; C53-V60 HydrophobicContact CB-CG2 4.22Å
54S94Very high94.2Very high70 Ų7055.4 Ų55.449%0.4932%0.323SS..Hα-helixtrans-66.2-42.6176.7-172.20000111.4Q50 D51 V52 V56 G57Q50-S54 WeakPolarHBondContact O-CB 3.37Å; Q50-S54 PolarHBondContact O-N 3.13Å; D51-S54 PolarHBondContact O-N 2.9Å; V52-S54 VanDerWaalsContact C-N 3.32Å; V52-S54 PolarHBondContact O-N 3.43Å; S54-V56 PolarHBondContact O-N 2.72Å; S54-G57 WeakPolarHBondContact O-CA 3.29Å; S54-G57 PolarHBondContact O-N 3.41Å
55A94Very high94.1Very high90 Ų9061.5 Ų61.574%0.74436%0.356SS*.Hα-helixtrans-61.9-30.9177.300000113.1D51 V52 G57D51-A55 VanDerWaalsContact O-CB 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.21Å; D51-A55 PolarHBondContact O-N 2.85Å; V52-A55 PolarHBondContact O-N 2.93Å; A55-G57 VanDerWaalsContact C-N 3.25Å; A55-G57 PolarHBondContact O-N 3.32Å
56V92.4Very high94.1Very high67 Ų6764.5 Ų64.541%0.40637%0.365SS..THydrogen-bonded Turntrans-76.7-13174.9174.80000112.4V52 C53 S54 L95 F98V52-V56 VanDerWaalsContact O-CG2 3.31Å; V52-V56 WeakPolarHBondContact O-CG2 3.32Å; V52-V56 PolarHBondContact O-N 3.48Å; V52-V56 VanDerWaalsContact O-N 3.16Å; C53-V56 PolarHBondContact O-N 3Å; S54-V56 PolarHBondContact O-N 2.72Å; V56-L95 HydrophobicContact CG1-CD1 4.34Å; V56-F98 HydrophobicContact CG1-CE2 3.37Å; V56-F98 HydrophobicContact CG1-CZ 3.65Å
57G91.1Very high94Very high56 Ų5667.1 Ų67.158%0.57738%0.378SS*.THydrogen-bonded Turntrans91.817.1179.500000114.4C53 S54 A55C53-G57 PolarHBondContact O-N 3.23Å; S54-G57 WeakPolarHBondContact O-CA 3.29Å; S54-G57 PolarHBondContact O-N 3.41Å; A55-G57 VanDerWaalsContact C-N 3.25Å; A55-G57 PolarHBondContact O-N 3.32Å
58L91.6Very high94Very high10 Ų1064.7 Ų64.75%0.05236%0.361CS..  trans-77.2140.5170.3-71.1168000110.3C53 V60 V84 L95 F98 V104C53-L58 HydrophobicContact CB-CD1 4.39Å; C53-L58 WeakPolarHBondContact O-CB 3.32Å; C53-L58 PolarHBondContact O-N 3.05Å; C53-L58 VanDerWaalsContact O-N 3.11Å; L58-V60 HydrophobicContact CB-CG1 3.93Å; L58-V60 PolarHBondContact O-N 2.83Å; L58-V60 VanDerWaalsContact O-N 3.15Å; L58-V84 HydrophobicContact CB-CG1 4.22Å; L58-V84 HydrophobicContact CD1-CG1 4.07Å; L58-V84 HydrophobicContact CD2-CG1 4.46Å; L58-L95 HydrophobicContact CD2-CB 4.36Å; L58-L95 HydrophobicContact CD2-CD1 3.66Å; L58-L95 HydrophobicContact CD2-CG 4.14Å; L58-L95 HydrophobicContact CG-CD1 3.9Å; L58-F98 HydrophobicContact CD1-CD2 4.06Å; L58-F98 HydrophobicContact CD1-CE2 4.28Å; L58-F98 HydrophobicContact CD1-CG 4.24Å; L58-F98 HydrophobicContact CD2-CB 4.49Å; L58-F98 HydrophobicContact CD2-CD2 4Å; L58-F98 HydrophobicContact CD2-CG 4.42Å; L58-F98 HydrophobicContact CG-CD2 4.23Å; L58-V104 HydrophobicContact CD1-CG1 4.03Å; L58-V104 HydrophobicContact CD1-CG2 4.43Å
59N92.2Very high93.9Very high85 Ų8565.3 Ų65.346%0.45538%0.376SS..  trans-73.3109.1171.2-175.616.7000109.7Q85N59-Q85 HydrophobicContact CB-CB 3.94Å; N59-Q85 PolarHBondContact ND2-OE1 3.12Å; N59-Q85 PolarHBondContact O-N 3.15Å
60V95.3Very high93.8Very high18 Ų1871 Ų7111%0.10940%0.397CS..EExtended strand (participates in β ladder)trans-134.7148.9-174.8-58.50000112.8Q50 C53 L58 V82 R83 V84Q50-V60 HydrophobicContact CG-CG2 3.94Å; C53-V60 HydrophobicContact CB-CB 4.47Å; C53-V60 HydrophobicContact CB-CG1 3.64Å; C53-V60 HydrophobicContact CB-CG2 4.22Å; L58-V60 HydrophobicContact CB-CG1 3.93Å; L58-V60 PolarHBondContact O-N 2.83Å; L58-V60 VanDerWaalsContact O-N 3.15Å; V60-V82 HydrophobicContact CB-CG1 4.27Å; V60-R83 WeakPolarHBondContact CA-O 3.2Å; V60-V84 HydrophobicContact CG1-CB 4.02Å; V60-V84 HydrophobicContact CG1-CG1 3.84Å; V60-V84 HydrophobicContact CG1-CG2 3.65Å
61F94.3Very high93.6Very high54 Ų5469.5 Ų69.524%0.23739%0.39CS..EExtended strand (participates in β ladder)trans-141.4152.6168.566.6-91.4000111.6Q12 F15 E63 R83Q12-F61 HydrophobicContact CB-CE1 3.86Å; Q12-F61 HydrophobicContact CB-CZ 3.93Å; Q12-F61 HydrophobicContact CG-CE1 3.9Å; Q12-F61 HydrophobicContact CG-CZ 4.36Å; F15-F61 AromaticContact CD2-CD1 3.91Å; F15-F61 HydrophobicContact CD2-CD1 3.91Å; F15-F61 AromaticContact CD2-CE1 3.42Å; F15-F61 HydrophobicContact CD2-CE1 3.42Å; F15-F61 VanDerWaalsContact CD2-CE1 3.42Å; F15-F61 HydrophobicContact CD2-CZ 4.48Å; F15-F61 AromaticContact CE2-CD1 3.98Å; F15-F61 HydrophobicContact CE2-CD1 3.98Å; F15-F61 AromaticContact CE2-CE1 3.75Å; F15-F61 HydrophobicContact CE2-CE1 3.75Å; F15-F61 HydrophobicContact CG-CE1 4.29Å; F61-E63 HydrophobicContact CD2-CG 4.28Å; F61-E63 HydrophobicContact CE2-CG 3.99Å; F61-R83 HydrophobicContact CD1-CB 3.8Å; F61-R83 HydrophobicContact CD2-CB 3.95Å; F61-R83 HydrophobicContact CD2-CG 4.12Å; F61-R83 HydrophobicContact CE1-CB 3.45Å; F61-R83 VanDerWaalsContact CE1-CB 3.45Å; F61-R83 HydrophobicContact CE1-CG 4.18Å; F61-R83 HydrophobicContact CE2-CB 3.61Å; F61-R83 HydrophobicContact CE2-CG 3.49Å; F61-R83 VanDerWaalsContact CE2-CG 3.49Å; F61-R83 HydrophobicContact CG-CB 4.05Å; F61-R83 HydrophobicContact CZ-CB 3.35Å; F61-R83 HydrophobicContact CZ-CG 3.53Å; F61-R83 PolarHBondContact N-O 2.81Å; F61-R83 PolarHBondContact O-N 2.59Å
62L95.5Very high93.3Very high26 Ų2674.9 Ų74.914%0.13640%0.404CS..EExtended strand (participates in β ladder)trans-106.3123.8-174.917463.8000111.6A46 Q50 K64 V82A46-L62 HydrophobicContact CB-CD1 3.5Å; A46-L62 VanDerWaalsContact CB-CD1 3.5Å; Q50-L62 HydrophobicContact CB-CB 4.47Å; Q50-L62 HydrophobicContact CG-CB 4.36Å; L62-K64 HydrophobicContact CD2-CD 4.41Å; L62-K64 HydrophobicContact CD2-CG 3.64Å; L62-K64 HydrophobicContact CG-CG 3.75Å; L62-K64 PolarHBondContact O-N 2.86Å; L62-V82 HydrophobicContact CD1-CG2 4.09Å
63E95.1Very high92.9Very high46 Ų4671.5 Ų71.522%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-95.984.2168.5-62.9173105.600109.9F61 N65 K66 G80 R81 R83F61-E63 HydrophobicContact CD2-CG 4.28Å; F61-E63 HydrophobicContact CE2-CG 3.99Å; E63-N65 PolarHBondContact O-N 2.84Å; E63-N65 VanDerWaalsContact O-N 3.12Å; E63-K66 HydrophobicContact CB-CB 4.16Å; E63-K66 HydrophobicContact CB-CG 3.58Å; E63-K66 HydrophobicContact CG-CG 4.36Å; E63-K66 PolarHBondContact O-N 2.74Å; E63-K66 VanDerWaalsContact O-N 3.15Å; E63-G80 WeakPolarHBondContact O-CA 3.37Å; E63-R81 HydrophobicContact CB-CB 4.4Å; E63-R81 VanDerWaalsContact CD-NH2 3.26Å; E63-R81 PolarHBondContact N-O 3.34Å; E63-R81 PolarHBondContact O-N 3.45Å; E63-R81 VanDerWaalsContact O-N 3.13Å; E63-R81 IonicContact OE1-CZ 3.94Å; E63-R81 IonicContact OE1-NH2 2.93Å; E63-R81 PolarHBondContact OE1-NH2 2.75Å; E63-R81 IonicContact OE2-CZ 3.09Å; E63-R81 IonicContact OE2-NE 2.63Å; E63-R81 PolarHBondContact OE2-NE 2.93Å; E63-R81 IonicContact OE2-NH2 2.75Å; E63-R81 PolarHBondContact OE2-NH2 3.42Å; E63-R83 HydrophobicContact CG-CG 4.33Å; E63-R83 WeakPolarHBondContact OE2-CG 3.38Å
64K92.3Very high92.7Very high146 Ų14679.5 Ų79.564%0.63541%0.41SS*.THydrogen-bonded Turntrans-53.5-34.9-171.9-64.7-176.9179.5-177.10114.8L62 R79 G80L62-K64 HydrophobicContact CD2-CD 4.41Å; L62-K64 HydrophobicContact CD2-CG 3.64Å; L62-K64 HydrophobicContact CG-CG 3.75Å; L62-K64 PolarHBondContact O-N 2.86Å; K64-R79 WeakPolarHBondContact O-CB 3.27Å; K64-G80 PolarHBondContact O-N 3.38Å
65N92.3Very high92.4Very high140 Ų14080 Ų8075%0.74941%0.408SS*.THydrogen-bonded Turntrans-94.2-0.4-173.7-67.1-39000114.1E63E63-N65 PolarHBondContact O-N 2.84Å; E63-N65 VanDerWaalsContact O-N 3.12Å
66K94.1Very high92.1Very high102 Ų10281.5 Ų81.544%0.44341%0.407SS..  trans-80.2134179.4-67.8-66.5-176.7-175.10110.1E63 G80 R81E63-K66 HydrophobicContact CB-CB 4.16Å; E63-K66 HydrophobicContact CB-CG 3.58Å; E63-K66 HydrophobicContact CG-CG 4.36Å; E63-K66 PolarHBondContact O-N 2.74Å; E63-K66 VanDerWaalsContact O-N 3.15Å; K66-G80 CarbonylContact O-C 3.47Å; K66-G80 WeakPolarHBondContact O-CA 3.37Å; K66-G80 PolarHBondContact O-N 2.63Å; K66-R81 HydrophobicContact CB-CB 3.81Å
67M93.6Very high91.8Very high59 Ų5982.9 Ų82.929%0.29141%0.409SS..  trans-104.9151.3176.2-79.1-173.371.500111.4Y19 R74 R79Y19-M67 WeakPolarHBondContact CE1-O 3.36Å; Y19-M67 PolarHBondContact OH-O 2.91Å; M67-R74 HydrophobicContact CE-CB 4.36Å; M67-R74 HydrophobicContact CE-CG 3.83Å; M67-R74 HydrophobicContact SD-CG 4.2Å; M67-R79 HydrophobicContact CG-CG 4.04Å
68Y95Very high91.7Very high19 Ų1982.8 Ų82.88%0.07539%0.392CS..  trans-79.3132.9169.3-176.8-128.5000109.8Y19 A21 Y22 R70 E71Y19-Y68 HydrophobicContact CD1-CD2 4.16Å; Y19-Y68 HydrophobicContact CD1-CG 4.26Å; Y19-Y68 AromaticContact CD2-CD2 3.73Å; Y19-Y68 HydrophobicContact CD2-CD2 3.73Å; Y19-Y68 HydrophobicContact CD2-CE2 4.36Å; Y19-Y68 HydrophobicContact CE1-CD2 4.32Å; Y19-Y68 AromaticContact CE2-CD2 3.92Å; Y19-Y68 HydrophobicContact CE2-CD2 3.92Å; Y19-Y68 AromaticContact CG-CD2 3.81Å; Y19-Y68 HydrophobicContact CG-CD2 3.81Å; Y19-Y68 HydrophobicContact CG-CG 4.15Å; A21-Y68 HydrophobicContact CB-CD1 3.74Å; A21-Y68 HydrophobicContact CB-CE1 4.12Å; A21-Y68 HydrophobicContact CB-CG 4.44Å; Y22-Y68 HydrophobicContact CE1-CD2 4.29Å; Y22-Y68 HydrophobicContact CE1-CE1 4.5Å; Y22-Y68 AromaticContact CE1-CE2 3.73Å; Y22-Y68 HydrophobicContact CE1-CE2 3.73Å; Y22-Y68 AromaticContact CE1-CZ 3.84Å; Y68-R70 HydrophobicContact CD1-CB 3.98Å; Y68-R70 HydrophobicContact CE1-CB 3.53Å; Y68-R70 HydrophobicContact CE1-CG 3.83Å; Y68-R70 PolarHBondContact O-N 3.31Å; Y68-R70 VanDerWaalsContact O-N 3.13Å; Y68-R70 WeakPolarHBondContact OH-CD 3.19Å; Y68-E71 HydrophobicContact CD1-CB 4.44Å; Y68-E71 WeakPolarHBondContact O-CB 3.36Å; Y68-E71 PolarHBondContact O-N 3.29Å
69S94.6Very high91.7Very high118 Ų11886.8 Ų86.883%0.82541%0.406SS*.THydrogen-bonded Turntrans-61.6-25.5-173.1-51.20000114.6
70R93.3Very high91.8Very high136 Ų13682.8 Ų82.851%0.51339%0.385SS..THydrogen-bonded Turntrans-94.4-1.9176.8-49.4-176.9179170.61.7113.1A30 Y68A30-R70 VanDerWaalsContact O-CD 3.32Å; A30-R70 WeakPolarHBondContact O-CD 3.31Å; A30-R70 PolarHBondContact O-NH1 3.04Å; Y68-R70 HydrophobicContact CD1-CB 3.98Å; Y68-R70 HydrophobicContact CE1-CB 3.53Å; Y68-R70 HydrophobicContact CE1-CG 3.83Å; Y68-R70 PolarHBondContact O-N 3.31Å; Y68-R70 VanDerWaalsContact O-N 3.13Å; Y68-R70 WeakPolarHBondContact OH-CD 3.19Å
71E91Very high91.9Very high16 Ų1684 Ų848%0.07539%0.388CS..  trans-82.9118.7176.1-175.461.8-97.200109.3K27 Y68 N73 Y78K27-E71 WeakPolarHBondContact CE-OE2 3.44Å; K27-E71 VanDerWaalsContact NZ-CD 3.32Å; K27-E71 IonicContact NZ-OE1 3.19Å; K27-E71 PolarHBondContact NZ-OE1 3.46Å; K27-E71 IonicContact NZ-OE2 2.66Å; K27-E71 PolarHBondContact NZ-OE2 3.25Å; Y68-E71 HydrophobicContact CD1-CB 4.44Å; Y68-E71 WeakPolarHBondContact O-CB 3.36Å; Y68-E71 PolarHBondContact O-N 3.29Å; E71-N73 WeakPolarHBondContact CG-O 3.43Å; E71-N73 PolarHBondContact OE1-N 2.76Å; E71-Y78 HydrophobicContact CG-CG 4.49Å
72W88.4Confident92Very high206 Ų20681.4 Ų81.478%0.7838%0.377SS*.  trans-85.3-32.7178.872.3-88.5000111.2R74W72-R74 PolarHBondContact O-N 3.19Å
73N88.4Confident92Very high25 Ų2581.3 Ų81.313%0.13437%0.374CS..  trans-76.6124.2-177-170.2-22.5000110.5E71 D75 Y78E71-N73 WeakPolarHBondContact CG-O 3.43Å; E71-N73 PolarHBondContact OE1-N 2.76Å; N73-D75 PolarHBondContact ND2-OD2 3.49Å; N73-D75 WeakPolarHBondContact OD1-CB 3.2Å; N73-D75 PolarHBondContact OD1-N 3.06Å; N73-D75 PolarHBondContact OD1-OD1 3.44Å; N73-D75 PolarHBondContact OD1-OD2 3.32Å; N73-Y78 HydrophobicContact CB-CD2 3.68Å; N73-Y78 HydrophobicContact CB-CE2 3.99Å; N73-Y78 HydrophobicContact CB-CG 4.36Å; N73-Y78 VanDerWaalsContact CG-CD2 3.44Å; N73-Y78 WeakPolarHBondContact ND2-CE2 3.36Å
74R87.7Confident91.9Very high180 Ų18079.1 Ų79.168%0.67936%0.364SS*.  trans-94.47.3-178.6-58.5-164.7176.7-158.41.1113.8M67 W72 R79M67-R74 HydrophobicContact CE-CB 4.36Å; M67-R74 HydrophobicContact CE-CG 3.83Å; M67-R74 HydrophobicContact SD-CG 4.2Å; W72-R74 PolarHBondContact O-N 3.19Å; R74-R79 PolarHBondContact O-NE 3.49Å; R74-R79 PolarHBondContact O-NH2 2.89Å
75D89.3Confident92Very high82 Ų8273.2 Ų73.244%0.43934%0.339SS..SBendtrans-60.7152.4176.6-63.4-26.3000111.4N73 Q77 Y78N73-D75 PolarHBondContact ND2-OD2 3.49Å; N73-D75 WeakPolarHBondContact OD1-CB 3.2Å; N73-D75 PolarHBondContact OD1-N 3.06Å; N73-D75 PolarHBondContact OD1-OD1 3.44Å; N73-D75 PolarHBondContact OD1-OD2 3.32Å; D75-Q77 HydrophobicContact CB-CG 3.97Å; D75-Q77 PolarHBondContact O-N 3.27Å; D75-Q77 VanDerWaalsContact O-N 3.15Å; D75-Q77 PolarHBondContact OD2-NE2 2.82Å; D75-Y78 HydrophobicContact CB-CD2 4.07Å; D75-Y78 PolarHBondContact O-N 3.21Å
76V87.1Confident91.9Very high120 Ų12067.7 Ų67.773%0.72731%0.309SS*.G310 helixtrans-56.7-34.5-176.9179.10000112Y78 R79V76-Y78 VanDerWaalsContact C-N 3.28Å; V76-Y78 PolarHBondContact O-N 3.44Å; V76-R79 PolarHBondContact O-N 2.75Å
77Q86.4Confident91.7Very high97 Ų9767.6 Ų67.645%0.45331%0.308SS..G310 helixtrans-62.4-28.9179.567.3-173-27.100114.3D75D75-Q77 HydrophobicContact CB-CG 3.97Å; D75-Q77 PolarHBondContact O-N 3.27Å; D75-Q77 VanDerWaalsContact O-N 3.15Å; D75-Q77 PolarHBondContact OD2-NE2 2.82Å
78Y87.9Confident91.5Very high53 Ų5369.1 Ų69.121%0.20832%0.315CS..G310 helixtrans-96.6-2.8-179.2-60.8-71.5000113E71 N73 D75 V76E71-Y78 HydrophobicContact CG-CG 4.49Å; N73-Y78 HydrophobicContact CB-CD2 3.68Å; N73-Y78 HydrophobicContact CB-CE2 3.99Å; N73-Y78 HydrophobicContact CB-CG 4.36Å; N73-Y78 VanDerWaalsContact CG-CD2 3.44Å; N73-Y78 WeakPolarHBondContact ND2-CE2 3.36Å; D75-Y78 HydrophobicContact CB-CD2 4.07Å; D75-Y78 PolarHBondContact O-N 3.21Å; V76-Y78 VanDerWaalsContact C-N 3.28Å; V76-Y78 PolarHBondContact O-N 3.44Å
79R92.5Very high91.2Very high95 Ų9575.6 Ų75.636%0.35835%0.346SS..  trans-85.3152.4174.2-59.6179-168.9-175.32.4109.9K64 M67 R74 V76K64-R79 WeakPolarHBondContact O-CB 3.27Å; M67-R79 HydrophobicContact CG-CG 4.04Å; R74-R79 PolarHBondContact O-NE 3.49Å; R74-R79 PolarHBondContact O-NH2 2.89Å; V76-R79 PolarHBondContact O-N 2.75Å
80G94.3Very high90.8Very high1 Ų175.8 Ų75.81%0.0134%0.338CS..  trans121.9143.7174.700000112.3P20 E63 K64 K66P20-G80 WeakPolarHBondContact CD-O 3.37Å; E63-G80 WeakPolarHBondContact O-CA 3.37Å; K64-G80 PolarHBondContact O-N 3.38Å; K66-G80 CarbonylContact O-C 3.47Å; K66-G80 WeakPolarHBondContact O-CA 3.37Å; K66-G80 PolarHBondContact O-N 2.63Å
81R96.2Very high90.3Very high43 Ų4370.8 Ų70.816%0.16233%0.328CS..EExtended strand (participates in β ladder)trans-136.1127.5171.6-176.5170.374.1-178.70.4108.4C17 Y19 E63 K66C17-R81 HydrophobicContact CB-CG 4.19Å; Y19-R81 HydrophobicContact CD1-CB 4.14Å; Y19-R81 HydrophobicContact CD1-CG 4.22Å; Y19-R81 HydrophobicContact CD2-CG 4.46Å; Y19-R81 HydrophobicContact CE1-CB 3.84Å; Y19-R81 HydrophobicContact CE1-CG 3.91Å; Y19-R81 HydrophobicContact CE2-CG 4.17Å; Y19-R81 VanDerWaalsContact OH-CD 3.27Å; Y19-R81 WeakPolarHBondContact OH-CD 3.32Å; Y19-R81 PolarHBondContact OH-NH1 3.11Å; E63-R81 HydrophobicContact CB-CB 4.4Å; E63-R81 VanDerWaalsContact CD-NH2 3.26Å; E63-R81 PolarHBondContact N-O 3.34Å; E63-R81 PolarHBondContact O-N 3.45Å; E63-R81 VanDerWaalsContact O-N 3.13Å; E63-R81 IonicContact OE1-CZ 3.94Å; E63-R81 IonicContact OE1-NH2 2.93Å; E63-R81 PolarHBondContact OE1-NH2 2.75Å; E63-R81 IonicContact OE2-CZ 3.09Å; E63-R81 IonicContact OE2-NE 2.63Å; E63-R81 PolarHBondContact OE2-NE 2.93Å; E63-R81 IonicContact OE2-NH2 2.75Å; E63-R81 PolarHBondContact OE2-NH2 3.42Å; K66-R81 HydrophobicContact CB-CB 3.81Å
82V96.5Very high90.2Very high0 Ų072.1 Ų72.10%034%0.339CS..EExtended strand (participates in β ladder)trans-92.8132174.7-175.70000108.3I18 A46 I49 Q50 V60 L62 V84I18-V82 HydrophobicContact CB-CB 4.37Å; I18-V82 PolarHBondContact N-O 3.33Å; I18-V82 PolarHBondContact O-N 2.78Å; A46-V82 HydrophobicContact CB-CG2 4.29Å; A46-V82 WeakPolarHBondContact O-CG2 3.4Å; I49-V82 HydrophobicContact CB-CG2 3.96Å; I49-V82 HydrophobicContact CG2-CB 4.15Å; I49-V82 HydrophobicContact CG2-CG1 4.36Å; I49-V82 HydrophobicContact CG2-CG2 3.79Å; Q50-V82 HydrophobicContact CB-CG2 4.35Å; V60-V82 HydrophobicContact CB-CG1 4.27Å; L62-V82 HydrophobicContact CD1-CG2 4.09Å; V82-V84 HydrophobicContact CG1-CG2 3.93Å
83R95.8Very high90.3Very high24 Ų2465.1 Ų65.19%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-106.2124.6175.9-64.6-70.5-66.4-161-3.6107.9Q12 D13 F15 I16 C17 V60 F61 E63Q12-R83 PolarHBondContact O-NH2 3.37Å; D13-R83 PolarHBondContact O-NH2 2.86Å; F15-R83 HydrophobicContact CB-CB 4.09Å; F15-R83 HydrophobicContact CD2-CB 4.28Å; F15-R83 PolarHBondContact O-NH1 3.43Å; F15-R83 PolarHBondContact O-NH2 3.49Å; F15-R83 VanDerWaalsContact O-NH2 3.07Å; I16-R83 VanDerWaalsContact O-CA 3.28Å; I16-R83 WeakPolarHBondContact O-CA 3.29Å; C17-R83 PolarHBondContact SG-NH1 3.1Å; V60-R83 WeakPolarHBondContact CA-O 3.2Å; F61-R83 HydrophobicContact CD1-CB 3.8Å; F61-R83 HydrophobicContact CD2-CB 3.95Å; F61-R83 HydrophobicContact CD2-CG 4.12Å; F61-R83 HydrophobicContact CE1-CB 3.45Å; F61-R83 VanDerWaalsContact CE1-CB 3.45Å; F61-R83 HydrophobicContact CE1-CG 4.18Å; F61-R83 HydrophobicContact CE2-CB 3.61Å; F61-R83 HydrophobicContact CE2-CG 3.49Å; F61-R83 VanDerWaalsContact CE2-CG 3.49Å; F61-R83 HydrophobicContact CG-CB 4.05Å; F61-R83 HydrophobicContact CZ-CB 3.35Å; F61-R83 HydrophobicContact CZ-CG 3.53Å; F61-R83 PolarHBondContact N-O 2.81Å; F61-R83 PolarHBondContact O-N 2.59Å; E63-R83 HydrophobicContact CG-CG 4.33Å; E63-R83 WeakPolarHBondContact OE2-CG 3.38Å
84V94.4Very high90.2Very high0 Ų065.7 Ų65.70%032%0.323CS..EExtended strand (participates in β ladder)trans-123.2132.1-175.7-175.30000110.6F15 I16 I18 L58 V60 V82 V104F15-V84 WeakPolarHBondContact CA-O 3.38Å; F15-V84 WeakPolarHBondContact CB-O 2.96Å; I16-V84 HydrophobicContact CD1-CB 4.07Å; I16-V84 HydrophobicContact CG1-CB 3.66Å; I16-V84 HydrophobicContact CG1-CG1 4.5Å; I16-V84 HydrophobicContact CG1-CG2 4.4Å; I16-V84 WeakPolarHBondContact CG1-O 3.27Å; I16-V84 PolarHBondContact N-O 3.13Å; I16-V84 PolarHBondContact O-N 3.06Å; I18-V84 HydrophobicContact CD1-CG2 3.78Å; I18-V84 HydrophobicContact CG1-CG2 4.36Å; L58-V84 HydrophobicContact CB-CG1 4.22Å; L58-V84 HydrophobicContact CD1-CG1 4.07Å; L58-V84 HydrophobicContact CD2-CG1 4.46Å; V60-V84 HydrophobicContact CG1-CB 4.02Å; V60-V84 HydrophobicContact CG1-CG1 3.84Å; V60-V84 HydrophobicContact CG1-CG2 3.65Å; V82-V84 HydrophobicContact CG1-CG2 3.93Å; V84-V104 HydrophobicContact CG1-CG1 4.29Å; V84-V104 HydrophobicContact CG2-CG1 4.4Å
85Q93.3Very high90.3Very high22 Ų2259.8 Ų59.810%0.10330%0.304CS..  trans-80.4121.8169.9-163.9178-1.600110F15 N59 K87F15-Q85 HydrophobicContact CD1-CB 4.04Å; F15-Q85 HydrophobicContact CD1-CG 4.08Å; F15-Q85 HydrophobicContact CD2-CB 4.16Å; F15-Q85 HydrophobicContact CE1-CB 3.63Å; F15-Q85 HydrophobicContact CE1-CG 3.46Å; F15-Q85 VanDerWaalsContact CE1-CG 3.46Å; F15-Q85 HydrophobicContact CE2-CB 3.76Å; F15-Q85 HydrophobicContact CE2-CG 4.46Å; F15-Q85 HydrophobicContact CG-CB 4.32Å; F15-Q85 HydrophobicContact CZ-CB 3.5Å; F15-Q85 HydrophobicContact CZ-CG 3.71Å; N59-Q85 HydrophobicContact CB-CB 3.94Å; N59-Q85 PolarHBondContact ND2-OE1 3.12Å; N59-Q85 PolarHBondContact O-N 3.15Å; Q85-K87 VanDerWaalsContact CG-O 3.28Å; Q85-K87 WeakPolarHBondContact CG-O 3.42Å; Q85-K87 PolarHBondContact NE2-O 3.13Å
86L90.8Very high90.2Very high23 Ų2362.3 Ų62.312%0.1232%0.323CS..  trans-99-29.9172.3-73-172.9000113I16 L93 C94 F98 R101 V104I16-L86 HydrophobicContact CD1-CD1 4.01Å; I16-L86 HydrophobicContact CD1-CD2 4.2Å; I16-L86 HydrophobicContact CD1-CG 3.98Å; I16-L86 HydrophobicContact CG1-CD1 4.49Å; I16-L86 HydrophobicContact CG1-CG 4.25Å; I16-L86 HydrophobicContact CG2-CD1 3.74Å; I16-L86 HydrophobicContact CG2-CG 4.04Å; L86-L93 WeakPolarHBondContact O-CA 3.37Å; L86-C94 PolarHBondContact O-N 2.94Å; L86-F98 HydrophobicContact CD2-CB 4.47Å; L86-R101 HydrophobicContact CD1-CG 4.17Å; L86-V104 HydrophobicContact CD2-CG2 3.54Å
87K90.2Very high90.3Very high100 Ų10063.2 Ų63.244%0.43532%0.319SS..BIsolated β-bridgetrans-129144.3-170.9-68.2-175177.3-161.30111P9 Q85 S92 L93P9-K87 HydrophobicContact CB-CB 3.6Å; P9-K87 HydrophobicContact CG-CB 4.38Å; Q85-K87 VanDerWaalsContact CG-O 3.28Å; Q85-K87 WeakPolarHBondContact CG-O 3.42Å; Q85-K87 PolarHBondContact NE2-O 3.13Å; K87-S92 CarbonylContact C-O 3.5Å; K87-S92 WeakPolarHBondContact CA-O 3.44Å; K87-L93 HydrophobicContact CG-CD2 4.19Å
88Q89.4Confident90.4Very high91 Ų9159.7 Ų59.743%0.42530%0.302SS..  trans-78.6177.3170.8-60.6-173.468.400110.2D90 G91 S92Q88-D90 VanDerWaalsContact C-N 3.27Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.44Å; Q88-D90 PolarHBondContact O-N 2.66Å; Q88-G91 PolarHBondContact O-N 3.19Å; Q88-S92 PolarHBondContact N-O 3.07Å; Q88-S92 PolarHBondContact NE2-OG 3.3Å
89E88.4Confident90.4Very high155 Ų15560.4 Ų60.472%0.72431%0.313SS*.THydrogen-bonded Turntrans-63.5-34.2-179180169-163.900112.6S8 A10 G91S8-E89 WeakPolarHBondContact OG-CA 3.23Å; S8-E89 WeakPolarHBondContact OG-CG 3.4Å; A10-E89 HydrophobicContact CB-CB 4.13Å; E89-G91 PolarHBondContact O-N 3.38Å
90D85.6Confident90.3Very high122 Ų12258.1 Ų58.165%0.65231%0.312SS*.THydrogen-bonded Turntrans-72.3-5.9174.568.1-2.8000113.8Q88 S92Q88-D90 VanDerWaalsContact C-N 3.27Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.44Å; Q88-D90 PolarHBondContact O-N 2.66Å; D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 VanDerWaalsContact CG-OG 3.27Å; D90-S92 WeakPolarHBondContact OD1-CB 3.4Å; D90-S92 PolarHBondContact OD1-N 3.48Å; D90-S92 PolarHBondContact OD1-OG 3.15Å; D90-S92 PolarHBondContact OD2-OG 3.21Å
91G82.9Confident90Very high31 Ų3166.7 Ų66.732%0.3234%0.344SS..SBendtrans84.1-1.9-177.700000115.3Q88 E89Q88-G91 PolarHBondContact O-N 3.19Å; E89-G91 PolarHBondContact O-N 3.38Å
92S88.7Confident89.5Confident44 Ų4471.8 Ų71.831%0.30837%0.367SS..  trans-66.2157.4170.472.70000110.9K87 Q88 D90K87-S92 CarbonylContact C-O 3.5Å; K87-S92 WeakPolarHBondContact CA-O 3.44Å; Q88-S92 PolarHBondContact N-O 3.07Å; Q88-S92 PolarHBondContact NE2-OG 3.3Å; D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 VanDerWaalsContact CG-OG 3.27Å; D90-S92 WeakPolarHBondContact OD1-CB 3.4Å; D90-S92 PolarHBondContact OD1-N 3.48Å; D90-S92 PolarHBondContact OD1-OG 3.15Å; D90-S92 PolarHBondContact OD2-OG 3.21Å
93L89.7Confident89Confident59 Ų5976.6 Ų76.631%0.30939%0.392SS..BIsolated β-bridgetrans-74.8140.3177.4-65.3171.9000110.2L86 K87 L95 P99L86-L93 WeakPolarHBondContact O-CA 3.37Å; K87-L93 HydrophobicContact CG-CD2 4.19Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-P99 HydrophobicContact CD1-CB 3.73Å
94C87.7Confident88.2Confident37 Ų3777.4 Ų77.425%0.2540%0.4CS..SBendtrans-63.7-42.9173.4-66.30000111.1L86L86-C94 PolarHBondContact O-N 2.94Å
95L88.3Confident87.9Confident56 Ų5681.3 Ų81.329%0.29342%0.42SS..  trans-136.3128176.1-69.3-179.4000109.1V56 L58 L93 Q97 F98V56-L95 HydrophobicContact CG1-CD1 4.34Å; L58-L95 HydrophobicContact CD2-CB 4.36Å; L58-L95 HydrophobicContact CD2-CD1 3.66Å; L58-L95 HydrophobicContact CD2-CG 4.14Å; L58-L95 HydrophobicContact CG-CD1 3.9Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L95-Q97 PolarHBondContact O-N 2.95Å; L95-F98 HydrophobicContact CB-CD2 3.81Å; L95-F98 HydrophobicContact CD1-CD2 3.84Å; L95-F98 HydrophobicContact CD1-CE2 3.99Å; L95-F98 HydrophobicContact CG-CD2 4.49Å; L95-F98 PolarHBondContact O-N 3.45Å
96V87.8Confident87.6Confident136 Ų13684.4 Ų84.482%0.82444%0.437SS*.THydrogen-bonded Turntrans-62.4-25-179.8-650000113.1F98V96-F98 PolarHBondContact O-N 3.03Å
97Q88.9Confident87.5Confident138 Ų13887.8 Ų87.865%0.64545%0.454SS*.THydrogen-bonded Turntrans-66.8-23.4175.6-170.9176.627.100112.6L95 P99L95-Q97 PolarHBondContact O-N 2.95Å; Q97-P99 WeakPolarHBondContact O-CD 3.46Å
98F89.7Confident87.3Confident24 Ų2487.1 Ų87.111%0.10546%0.455CS..  trans-120.367.7-173.6-59-71000112.4V56 L58 L86 L95 V96 S100 L103 V104V56-F98 HydrophobicContact CG1-CE2 3.37Å; V56-F98 HydrophobicContact CG1-CZ 3.65Å; L58-F98 HydrophobicContact CD1-CD2 4.06Å; L58-F98 HydrophobicContact CD1-CE2 4.28Å; L58-F98 HydrophobicContact CD1-CG 4.24Å; L58-F98 HydrophobicContact CD2-CB 4.49Å; L58-F98 HydrophobicContact CD2-CD2 4Å; L58-F98 HydrophobicContact CD2-CG 4.42Å; L58-F98 HydrophobicContact CG-CD2 4.23Å; L86-F98 HydrophobicContact CD2-CB 4.47Å; L95-F98 HydrophobicContact CB-CD2 3.81Å; L95-F98 HydrophobicContact CD1-CD2 3.84Å; L95-F98 HydrophobicContact CD1-CE2 3.99Å; L95-F98 HydrophobicContact CG-CD2 4.49Å; L95-F98 PolarHBondContact O-N 3.45Å; V96-F98 PolarHBondContact O-N 3.03Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 3.42Å; F98-L103 VanDerWaalsContact CD1-O 3.28Å; F98-L103 WeakPolarHBondContact CD1-O 3.2Å; F98-L103 VanDerWaalsContact CE1-O 3.29Å; F98-L103 WeakPolarHBondContact CE1-O 3.34Å; F98-V104 HydrophobicContact CB-CG2 3.94Å; F98-V104 HydrophobicContact CD1-CB 4.45Å; F98-V104 HydrophobicContact CD1-CG2 3.95Å; F98-V104 HydrophobicContact CG-CG2 4.19Å
99P87.9Confident87.2Confident68 Ų6886.9 Ų86.944%0.44246%0.457SS..SBendtrans-76.1-14.4179.630.9-34.7000113.2L93 Q97 L103L93-P99 HydrophobicContact CD1-CB 3.73Å; Q97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-L103 HydrophobicContact CG-CD1 3.56Å
100S89.3Confident87.1Confident47 Ų4782.3 Ų82.333%0.32944%0.439SS..SBendtrans-146.8159-17580.40000113.6F98 K102 L103 V104F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 3.42Å; S100-K102 PolarHBondContact O-N 2.72Å; S100-K102 VanDerWaalsContact O-N 3.1Å; S100-L103 PolarHBondContact O-N 2.8Å; S100-V104 PolarHBondContact O-N 2.83Å
101R89.2Confident87.2Confident181 Ų18179.5 Ų79.568%0.68342%0.424SS*.THydrogen-bonded Turntrans-59.4-20.1178-59.9179.2-174.1144.11.1115.1I16 L86I16-R101 HydrophobicContact CB-CG 4.07Å; I16-R101 HydrophobicContact CD1-CB 4.16Å; I16-R101 HydrophobicContact CD1-CG 3.82Å; I16-R101 HydrophobicContact CG2-CG 3.78Å; L86-R101 HydrophobicContact CD1-CG 4.17Å
102K85.8Confident87.5Confident149 Ų14983.2 Ų83.265%0.64843%0.432SS*.THydrogen-bonded Turntrans-87.9-19.1-178.8-175.5173.4-179.9-177.50111.8S100S100-K102 PolarHBondContact O-N 2.72Å; S100-K102 VanDerWaalsContact O-N 3.1Å
103L84.8Confident87.4Confident102 Ų10286.5 Ų86.553%0.53444%0.443SS..THydrogen-bonded Turntrans-94.4-21.3179.7-68.5171.8000112.1F98 P99 S100F98-L103 VanDerWaalsContact CD1-O 3.28Å; F98-L103 WeakPolarHBondContact CD1-O 3.2Å; F98-L103 VanDerWaalsContact CE1-O 3.29Å; F98-L103 WeakPolarHBondContact CE1-O 3.34Å; P99-L103 HydrophobicContact CG-CD1 3.56Å; S100-L103 PolarHBondContact O-N 2.8Å
104V79.9Confident87.2Confident41 Ų4189 Ų8925%0.24846%0.455CS..  trans-73.20160.3-171.60000108.7I16 I18 L58 V84 L86 F98 S100I16-V104 HydrophobicContact CD1-CB 4.49Å; I16-V104 HydrophobicContact CD1-CG2 4.31Å; I18-V104 HydrophobicContact CD1-CB 4.12Å; I18-V104 HydrophobicContact CD1-CG1 3.48Å; I18-V104 VanDerWaalsContact CD1-CG1 3.48Å; L58-V104 HydrophobicContact CD1-CG1 4.03Å; L58-V104 HydrophobicContact CD1-CG2 4.43Å; V84-V104 HydrophobicContact CG1-CG1 4.29Å; V84-V104 HydrophobicContact CG2-CG1 4.4Å; L86-V104 HydrophobicContact CD2-CG2 3.54Å; F98-V104 HydrophobicContact CB-CG2 3.94Å; F98-V104 HydrophobicContact CD1-CB 4.45Å; F98-V104 HydrophobicContact CD1-CG2 3.95Å; F98-V104 HydrophobicContact CG-CG2 4.19Å; S100-V104 PolarHBondContact O-N 2.83Å

Retrieved 104 of 104 residues in 86 ms (Link to these results)

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