A0A087WY74_HUMAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087WY74, Species HUMAN (Homo sapiens, Human), Gene CSNK2A1, Length 118 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
1D87.8Confident93.1Very high166 Ų166101.9 Ų101.989%0.88850%0.502SS*.  0-73.50-58.212.5000113.6D4 K5D1-D4 PolarHBondContact N-OD2 3.23Å; D1-K5 VanDerWaalsContact O-CB 3.24Å; D1-K5 WeakPolarHBondContact O-CB 3.45Å; D1-K5 PolarHBondContact O-N 3.24Å
2Y92.9Very high93Very high70 Ų70101.2 Ų101.228%0.27551%0.511SS..Hα-helixtrans-65.7-50.2-175.5176.6-106000113.6D4 K5 Y6 I8 Y52 D53 H54Y2-D4 VanDerWaalsContact C-N 3.3Å; Y2-D4 PolarHBondContact O-N 3.33Å; Y2-K5 PolarHBondContact O-N 3.15Å; Y2-Y6 AromaticContact CD2-CD2 3.6Å; Y2-Y6 HydrophobicContact CD2-CD2 3.6Å; Y2-Y6 AromaticContact CD2-CE2 3.56Å; Y2-Y6 HydrophobicContact CD2-CE2 3.56Å; Y2-Y6 AromaticContact CE2-CD2 3.35Å; Y2-Y6 HydrophobicContact CE2-CD2 3.35Å; Y2-Y6 AromaticContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CG 4.46Å; Y2-Y6 HydrophobicContact CG-CD2 4.42Å; Y2-Y6 AromaticContact CZ-CD2 4Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.31Å; Y2-Y6 PolarHBondContact O-N 3.43Å; Y2-I8 HydrophobicContact CD1-CD1 4.15Å; Y2-I8 HydrophobicContact CE1-CD1 3.53Å; Y2-Y52 WeakPolarHBondContact CD2-O 3.34Å; Y2-Y52 WeakPolarHBondContact CE2-O 3.28Å; Y2-D53 HydrophobicContact CD2-CB 4.02Å; Y2-D53 HydrophobicContact CE2-CB 4.38Å; Y2-H54 AromaticContact CE2-ND1 3.91Å; Y2-H54 PolarHBondContact OH-ND1 3.22Å
3I93.1Very high93.1Very high63 Ų63107.5 Ų107.532%0.32352%0.524SS..Hα-helixtrans-58.8-45.3179.6-66.2-179.7000110.2Y6 N7 I8 L10I3-Y6 PolarHBondContact O-N 2.85Å; I3-N7 WeakPolarHBondContact O-CA 3.48Å; I3-N7 PolarHBondContact O-N 3.45Å; I3-I8 HydrophobicContact CG2-CB 4.15Å; I3-I8 WeakPolarHBondContact CG2-O 3.48Å; I3-I8 PolarHBondContact O-N 3.15Å; I3-L10 HydrophobicContact CD1-CD1 4.1Å; I3-L10 HydrophobicContact CD1-CD2 4.03Å; I3-L10 HydrophobicContact CD1-CG 4.45Å
4D93.4Very high92.9Very high119 Ų119105.4 Ų105.464%0.63651%0.512SS*.Hα-helixtrans-64.7-43.9178.6-45.6-52.1000111.9D1 Y2 Y6 N7D1-D4 PolarHBondContact N-OD2 3.23Å; Y2-D4 VanDerWaalsContact C-N 3.3Å; Y2-D4 PolarHBondContact O-N 3.33Å; D4-Y6 VanDerWaalsContact C-N 3.25Å; D4-Y6 PolarHBondContact O-N 3.25Å; D4-N7 PolarHBondContact O-N 3.37Å
5K95Very high92.4Very high120 Ų120105.5 Ų105.552%0.52252%0.515SS..Hα-helixtrans-57.3-37.6-179.1176.1176.1173.3-178.50112.7D1 Y2 D53D1-K5 VanDerWaalsContact O-CB 3.24Å; D1-K5 WeakPolarHBondContact O-CB 3.45Å; D1-K5 PolarHBondContact O-N 3.24Å; Y2-K5 PolarHBondContact O-N 3.15Å; K5-D53 IonicContact NZ-OD2 2.99Å; K5-D53 PolarHBondContact NZ-OD2 3.22Å
6Y95.9Very high92.1Very high65 Ų65108.4 Ų108.426%0.25553%0.534SS..THydrogen-bonded Turntrans-105.28.1-177.4-66.4-78.3000113Y2 I3 D4 I8 D53 H54 Q55Y2-Y6 AromaticContact CD2-CD2 3.6Å; Y2-Y6 HydrophobicContact CD2-CD2 3.6Å; Y2-Y6 AromaticContact CD2-CE2 3.56Å; Y2-Y6 HydrophobicContact CD2-CE2 3.56Å; Y2-Y6 AromaticContact CE2-CD2 3.35Å; Y2-Y6 HydrophobicContact CE2-CD2 3.35Å; Y2-Y6 AromaticContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CE2 3.27Å; Y2-Y6 HydrophobicContact CE2-CG 4.46Å; Y2-Y6 HydrophobicContact CG-CD2 4.42Å; Y2-Y6 AromaticContact CZ-CD2 4Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.31Å; Y2-Y6 PolarHBondContact O-N 3.43Å; I3-Y6 PolarHBondContact O-N 2.85Å; D4-Y6 VanDerWaalsContact C-N 3.25Å; D4-Y6 PolarHBondContact O-N 3.25Å; Y6-I8 PolarHBondContact O-N 3Å; Y6-D53 WeakPolarHBondContact CE2-OD1 3.47Å; Y6-D53 PolarHBondContact OH-OD1 3.49Å; Y6-H54 AromaticContact CE1-CE1 3.56Å; Y6-H54 AromaticContact CZ-CE1 3.45Å; Y6-H54 VanDerWaalsContact CZ-CE1 3.45Å; Y6-Q55 VanDerWaalsContact OH-CD 3.28Å; Y6-Q55 WeakPolarHBondContact OH-CG 3.32Å; Y6-Q55 PolarHBondContact OH-NE2 3.48Å
7N93.4Very high92.2Very high140 Ų140108.9 Ų108.975%0.74954%0.538SS*.THydrogen-bonded Turntrans46.347.1-176.6-162.471.8000112.6I3 D4I3-N7 WeakPolarHBondContact O-CA 3.48Å; I3-N7 PolarHBondContact O-N 3.45Å; D4-N7 PolarHBondContact O-N 3.37Å
8I94.6Very high92.1Very high68 Ų68107.9 Ų107.935%0.34954%0.535SS..PPolyproline II helixtrans-79.5126.2-177.8-63.3168.6000108.7Y2 I3 Y6 L10Y2-I8 HydrophobicContact CD1-CD1 4.15Å; Y2-I8 HydrophobicContact CE1-CD1 3.53Å; I3-I8 HydrophobicContact CG2-CB 4.15Å; I3-I8 WeakPolarHBondContact CG2-O 3.48Å; I3-I8 PolarHBondContact O-N 3.15Å; Y6-I8 PolarHBondContact O-N 3Å; I8-L10 PolarHBondContact O-N 3.4Å
9E93.1Very high91.9Very high183 Ų183105.2 Ų105.286%0.85554%0.537SS*.PPolyproline II helixtrans-77116.2169.5-67-173.1176.100109.8
10L91.4Very high91.8Very high68 Ų68112.5 Ų112.536%0.35656%0.557SS.*PPolyproline II helixtrans-87.7129.2178.4-16968.4000110I3 I8 F14 L18I3-L10 HydrophobicContact CD1-CD1 4.1Å; I3-L10 HydrophobicContact CD1-CD2 4.03Å; I3-L10 HydrophobicContact CD1-CG 4.45Å; I8-L10 PolarHBondContact O-N 3.4Å; L10-F14 HydrophobicContact CD1-CB 4.11Å; L10-F14 HydrophobicContact CD1-CD2 3.78Å; L10-F14 HydrophobicContact CD1-CG 4.1Å; L10-F14 HydrophobicContact CD2-CB 3.79Å; L10-F14 HydrophobicContact CG-CB 3.84Å; L10-F14 HydrophobicContact CG-CD2 4.1Å; L10-F14 HydrophobicContact CG-CG 4.31Å; L10-L18 HydrophobicContact CD2-CD1 3.82Å
11D93.8Very high91.9Very high59 Ų59114.9 Ų114.932%0.31657%0.567SS.*PPolyproline II helixtrans-57.2130.6175.8179.2-34.7000110.2R13 F14D11-R13 PolarHBondContact O-N 2.87Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 WeakPolarHBondContact OD1-CG 3.24Å; D11-R13 PolarHBondContact OD1-N 3.2Å; D11-R13 IonicContact OD1-NE 3.67Å; D11-R13 PolarHBondContact OD1-NE 3.43Å; D11-R13 IonicContact OD2-CZ 3.28Å; D11-R13 VanDerWaalsContact OD2-CZ 3.28Å; D11-R13 IonicContact OD2-NE 3.2Å; D11-R13 PolarHBondContact OD2-NE 3.35Å; D11-R13 IonicContact OD2-NH2 2.69Å; D11-R13 PolarHBondContact OD2-NH2 3.31Å; D11-F14 HydrophobicContact CB-CD2 3.81Å; D11-F14 HydrophobicContact CB-CE2 3.95Å; D11-F14 WeakPolarHBondContact O-CB 3.43Å; D11-F14 WeakPolarHBondContact O-CD2 3.25Å; D11-F14 PolarHBondContact O-N 2.91Å
12P92.1Very high92.1Very high93 Ų93110.9 Ų110.960%0.60455%0.552SS**G310 helixtrans-52.9-25.6-177.3-28.835.2000115.2F14 N15P12-F14 PolarHBondContact O-N 3.15Å; P12-F14 VanDerWaalsContact O-N 3.13Å; P12-N15 WeakPolarHBondContact O-CB 3.35Å; P12-N15 PolarHBondContact O-N 3.04Å; P12-N15 VanDerWaalsContact O-N 3.09Å; P12-N15 PolarHBondContact O-ND2 2.73Å
13R93.5Very high92.2Very high183 Ų183115.3 Ų115.369%0.69157%0.568SS**G310 helixtrans-59.3-22.4175.8-66.1-179.3-65.5164.51.4113.3D11D11-R13 PolarHBondContact O-N 2.87Å; D11-R13 WeakPolarHBondContact OD1-CB 3.35Å; D11-R13 WeakPolarHBondContact OD1-CG 3.24Å; D11-R13 PolarHBondContact OD1-N 3.2Å; D11-R13 IonicContact OD1-NE 3.67Å; D11-R13 PolarHBondContact OD1-NE 3.43Å; D11-R13 IonicContact OD2-CZ 3.28Å; D11-R13 VanDerWaalsContact OD2-CZ 3.28Å; D11-R13 IonicContact OD2-NE 3.2Å; D11-R13 PolarHBondContact OD2-NE 3.35Å; D11-R13 IonicContact OD2-NH2 2.69Å; D11-R13 PolarHBondContact OD2-NH2 3.31Å
14F90.9Very high92.3Very high79 Ų79116.8 Ų116.835%0.34657%0.572SS.*G310 helixtrans-81.3-17.4178.6-69.3-68.2000114L10 D11 P12 D16 I17 L18L10-F14 HydrophobicContact CD1-CB 4.11Å; L10-F14 HydrophobicContact CD1-CD2 3.78Å; L10-F14 HydrophobicContact CD1-CG 4.1Å; L10-F14 HydrophobicContact CD2-CB 3.79Å; L10-F14 HydrophobicContact CG-CB 3.84Å; L10-F14 HydrophobicContact CG-CD2 4.1Å; L10-F14 HydrophobicContact CG-CG 4.31Å; D11-F14 HydrophobicContact CB-CD2 3.81Å; D11-F14 HydrophobicContact CB-CE2 3.95Å; D11-F14 WeakPolarHBondContact O-CB 3.43Å; D11-F14 WeakPolarHBondContact O-CD2 3.25Å; D11-F14 PolarHBondContact O-N 2.91Å; P12-F14 PolarHBondContact O-N 3.15Å; P12-F14 VanDerWaalsContact O-N 3.13Å; F14-D16 VanDerWaalsContact C-N 3.3Å; F14-D16 PolarHBondContact O-N 3.27Å; F14-I17 HydrophobicContact CD1-CD1 3.74Å; F14-I17 HydrophobicContact CD1-CG1 4.19Å; F14-I17 HydrophobicContact CE1-CD1 4.18Å; F14-I17 PolarHBondContact O-N 2.97Å; F14-L18 HydrophobicContact CB-CD1 3.81Å; F14-L18 HydrophobicContact CB-CG 4.09Å; F14-L18 HydrophobicContact CD1-CG 4.39Å; F14-L18 HydrophobicContact CG-CD1 4.46Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 WeakPolarHBondContact O-CG 3.29Å; F14-L18 PolarHBondContact O-N 2.82Å; F14-L18 VanDerWaalsContact O-N 3.14Å
15N85.1Confident92.4Very high106 Ų106119.5 Ų119.557%0.56757%0.573SS**THydrogen-bonded Turntrans-60.4-39.2-173.2-68.1-15.3000112.4P12P12-N15 WeakPolarHBondContact O-CB 3.35Å; P12-N15 PolarHBondContact O-N 3.04Å; P12-N15 VanDerWaalsContact O-N 3.09Å; P12-N15 PolarHBondContact O-ND2 2.73Å
16D88.6Confident92.5Very high152 Ų152116.9 Ų116.981%0.81356%0.56SS**THydrogen-bonded Turntrans-91.5-18.6-175.3-60.3-33.7000113.5F14F14-D16 VanDerWaalsContact C-N 3.3Å; F14-D16 PolarHBondContact O-N 3.27Å
17I93.3Very high92.3Very high118 Ų118118.2 Ų118.261%0.60557%0.569SS**THydrogen-bonded Turntrans-101.2-24.4-17364.6172.9000114.1F14F14-I17 HydrophobicContact CD1-CD1 3.74Å; F14-I17 HydrophobicContact CD1-CG1 4.19Å; F14-I17 HydrophobicContact CE1-CD1 4.18Å; F14-I17 PolarHBondContact O-N 2.97Å
18L89.4Confident92.3Very high91 Ų91120 Ų12048%0.47657%0.565SS.*SBendtrans-76.9-27.1-178.4-72.1179.3000112.8L10 F14 H21L10-L18 HydrophobicContact CD2-CD1 3.82Å; F14-L18 HydrophobicContact CB-CD1 3.81Å; F14-L18 HydrophobicContact CB-CG 4.09Å; F14-L18 HydrophobicContact CD1-CG 4.39Å; F14-L18 HydrophobicContact CG-CD1 4.46Å; F14-L18 WeakPolarHBondContact O-CB 3.42Å; F14-L18 WeakPolarHBondContact O-CG 3.29Å; F14-L18 PolarHBondContact O-N 2.82Å; F14-L18 VanDerWaalsContact O-N 3.14Å; L18-H21 PolarHBondContact O-CD2 3.36Å; L18-H21 PolarHBondContact O-NE2 2.83Å
19G88.3Confident92.4Very high56 Ų56121.8 Ų121.858%0.57757%0.57SS**  trans49.7-151.7178.800000113.7
20R91.1Very high92.4Very high251 Ų251115.8 Ų115.895%0.94755%0.546SS*.  trans-123.4116.8171.9-76.9-177169.1-174.4-2.9109.8
21H92.9Very high92.7Very high162 Ų162117.5 Ų117.575%0.7555%0.552SS**  trans-125.5129.3179.3-62.2-65.9000111.2L18L18-H21 PolarHBondContact O-CD2 3.36Å; L18-H21 PolarHBondContact O-NE2 2.83Å
22S93.4Very high92.8Very high82 Ų82118.3 Ų118.357%0.57356%0.562SS**PPolyproline II helixtrans-74.3143.2171.357.20000111.1K24S22-K24 PolarHBondContact O-N 3.19Å; S22-K24 PolarHBondContact OG-NZ 3.01Å
23R94.1Very high93Very high164 Ų164120.6 Ų120.662%0.61957%0.565SS**PPolyproline II helixtrans-54.6128.1170.2-176.8177.4-179.5141.2-7109.3D47R23-D47 IonicContact CZ-OD1 3.6Å; R23-D47 IonicContact NH2-OD1 2.66Å; R23-D47 PolarHBondContact NH2-OD1 3.23Å; R23-D47 IonicContact NH2-OD2 3.27Å; R23-D47 PolarHBondContact NH2-OD2 3.34Å
24K95.9Very high93.1Very high94 Ų94113.5 Ų113.541%0.40954%0.541SS..PPolyproline II helixtrans-92.2142.4176.1-57.2-53.3-177.9-166.10109.7S22 F29S22-K24 PolarHBondContact O-N 3.19Å; S22-K24 PolarHBondContact OG-NZ 3.01Å; K24-F29 HydrophobicContact CB-CE2 4.26Å; K24-F29 HydrophobicContact CB-CZ 4.41Å
25R95.6Very high93.3Very high176 Ų176115.6 Ų115.666%0.66455%0.552SS**PPolyproline II helixtrans-66.2138.9166.7-80.9-169.868-160.26.8109.8E27 R28R25-E27 VanDerWaalsContact CB-OE2 3.31Å; R25-E27 WeakPolarHBondContact CB-OE2 3.29Å; R25-E27 IonicContact CZ-OE1 2.58Å; R25-E27 IonicContact CZ-OE2 2.92Å; R25-E27 IonicContact NE-OE1 3.54Å; R25-E27 IonicContact NE-OE2 3.53Å; R25-E27 PolarHBondContact NE-OE2 3.38Å; R25-E27 IonicContact NH2-OE1 3.62Å; R25-E27 PolarHBondContact NH2-OE1 3.31Å; R25-E27 IonicContact NH2-OE2 3.76Å; R25-E27 PolarHBondContact O-N 3.35Å; R25-R28 VanDerWaalsContact O-CB 3.25Å; R25-R28 WeakPolarHBondContact O-CB 3.15Å; R25-R28 PolarHBondContact O-N 3.39Å; R25-R28 VanDerWaalsContact O-N 3.15Å
26W95.9Very high93.7Very high65 Ų65117.3 Ų117.325%0.24656%0.556CS.*G310 helixtrans-62.8-29.9-177.4-71.2116.4000112.9R28 F29 L43 L46 D47 L50W26-R28 PolarHBondContact O-N 3.19Å; W26-F29 HydrophobicContact CE3-CD2 4.01Å; W26-F29 HydrophobicContact CE3-CE2 4.27Å; W26-F29 HydrophobicContact CZ3-CD2 4.49Å; W26-F29 HydrophobicContact CZ3-CE2 4.47Å; W26-F29 PolarHBondContact O-N 2.97Å; W26-L43 HydrophobicContact CB-CB 4.42Å; W26-L43 HydrophobicContact CB-CD1 3.93Å; W26-L43 HydrophobicContact CB-CD2 3.82Å; W26-L43 HydrophobicContact CB-CG 4.27Å; W26-L43 HydrophobicContact CG-CD2 4.34Å; W26-L46 HydrophobicContact CD2-CD2 4.4Å; W26-L46 HydrophobicContact CE3-CD2 4.08Å; W26-L46 HydrophobicContact CH2-CD2 4.11Å; W26-L46 HydrophobicContact CH2-CG 4.37Å; W26-L46 HydrophobicContact CZ2-CD2 4.38Å; W26-L46 HydrophobicContact CZ2-CG 4.35Å; W26-L46 HydrophobicContact CZ3-CD2 3.94Å; W26-D47 PolarHBondContact NE1-OD1 2.9Å; W26-L50 HydrophobicContact CH2-CD1 3.54Å; W26-L50 HydrophobicContact CZ2-CB 4.41Å; W26-L50 HydrophobicContact CZ2-CD1 4.11Å; W26-L50 HydrophobicContact CZ3-CD1 4.41Å
27E92.4Very high94Very high93 Ų93115.9 Ų115.944%0.43555%0.548SS..G310 helixtrans-59-22.1177.5-59.590.4151.700112.6R25 F29 V30R25-E27 VanDerWaalsContact CB-OE2 3.31Å; R25-E27 WeakPolarHBondContact CB-OE2 3.29Å; R25-E27 IonicContact CZ-OE1 2.58Å; R25-E27 IonicContact CZ-OE2 2.92Å; R25-E27 IonicContact NE-OE1 3.54Å; R25-E27 IonicContact NE-OE2 3.53Å; R25-E27 PolarHBondContact NE-OE2 3.38Å; R25-E27 IonicContact NH2-OE1 3.62Å; R25-E27 PolarHBondContact NH2-OE1 3.31Å; R25-E27 IonicContact NH2-OE2 3.76Å; R25-E27 PolarHBondContact O-N 3.35Å; E27-F29 PolarHBondContact O-N 2.89Å; E27-V30 PolarHBondContact O-N 3.48Å
28R93.9Very high94.1Very high177 Ų177112.5 Ų112.567%0.66853%0.532SS*.G310 helixtrans-61.9-24.1174.1-167.7-174.9-175.7-124.7-0.5112.7R25 W26R25-R28 VanDerWaalsContact O-CB 3.25Å; R25-R28 WeakPolarHBondContact O-CB 3.15Å; R25-R28 PolarHBondContact O-N 3.39Å; R25-R28 VanDerWaalsContact O-N 3.15Å; W26-R28 PolarHBondContact O-N 3.19Å
29F94.7Very high94.4Very high105 Ų105109.8 Ų109.846%0.46152%0.521SS..G310 helixtrans-97.21.2-178-55.8-75.1000112.8K24 W26 E27 H31 N34K24-F29 HydrophobicContact CB-CE2 4.26Å; K24-F29 HydrophobicContact CB-CZ 4.41Å; W26-F29 HydrophobicContact CE3-CD2 4.01Å; W26-F29 HydrophobicContact CE3-CE2 4.27Å; W26-F29 HydrophobicContact CZ3-CD2 4.49Å; W26-F29 HydrophobicContact CZ3-CE2 4.47Å; W26-F29 PolarHBondContact O-N 2.97Å; E27-F29 PolarHBondContact O-N 2.89Å; F29-H31 PolarHBondContact O-CD2 3.38Å; F29-N34 PolarHBondContact O-ND2 3.07Å
30V95.1Very high94.7Very high57 Ų57112 Ų11235%0.34553%0.526SS..  trans-84.8130.6178.5-174.80000109.6E27 N34 Q35 V38E27-V30 PolarHBondContact O-N 3.48Å; V30-N34 WeakPolarHBondContact CA-OD1 3.18Å; V30-Q35 HydrophobicContact CG1-CB 4.07Å; V30-V38 HydrophobicContact CG2-CB 4.37Å; V30-V38 HydrophobicContact CG2-CG1 3.84Å; V30-V38 HydrophobicContact CG2-CG2 4.2Å
31H95.8Very high94.9Very high104 Ų104104.2 Ų104.248%0.48150%0.5SS..  trans-144.3169.4179.254.573.2000110.8F29 E33 N34 Q35F29-H31 PolarHBondContact O-CD2 3.38Å; H31-E33 PolarHBondContact O-N 3.14Å; H31-E33 VanDerWaalsContact O-N 3.09Å; H31-N34 PolarHBondContact CD2-ND2 3.18Å; H31-N34 PolarHBondContact CE1-ND2 3.07Å; H31-N34 VanDerWaalsContact CE1-ND2 3.34Å; H31-N34 PolarHBondContact N-OD1 3.42Å; H31-N34 PolarHBondContact ND1-N 3.14Å; H31-N34 PolarHBondContact NE2-ND2 3.18Å; H31-N34 PolarHBondContact O-N 3.21Å; H31-N34 PolarHBondContact O-OD1 3.34Å; H31-Q35 PolarHBondContact O-N 3.35Å
32S96.1Very high95.1Very high76 Ų7697.3 Ų97.353%0.53147%0.471SS..THydrogen-bonded Turntrans-50-41.2-174.356.30000113.4N34 Q35S32-N34 PolarHBondContact O-N 2.95Å; S32-Q35 WeakPolarHBondContact O-CG 3.31Å
33E96.6Very high95.2Very high141 Ų14194.9 Ų94.966%0.65945%0.451SS*.THydrogen-bonded Turntrans-71.3-27.8-177.6-51.2-51.9109.700113.7H31 H36H31-E33 PolarHBondContact O-N 3.14Å; H31-E33 VanDerWaalsContact O-N 3.09Å; E33-H36 PolarHBondContact O-CE1 3.41Å; E33-H36 PolarHBondContact O-ND1 2.62Å
34N95.3Very high95.3Very high34 Ų3490.5 Ų90.518%0.18244%0.44CS..THydrogen-bonded Turntrans-111-10.9-174.175.114.5000114F29 V30 H31 S32 H36 L37 V38F29-N34 PolarHBondContact O-ND2 3.07Å; V30-N34 WeakPolarHBondContact CA-OD1 3.18Å; H31-N34 PolarHBondContact CD2-ND2 3.18Å; H31-N34 PolarHBondContact CE1-ND2 3.07Å; H31-N34 VanDerWaalsContact CE1-ND2 3.34Å; H31-N34 PolarHBondContact N-OD1 3.42Å; H31-N34 PolarHBondContact ND1-N 3.14Å; H31-N34 PolarHBondContact NE2-ND2 3.18Å; H31-N34 PolarHBondContact O-N 3.21Å; H31-N34 PolarHBondContact O-OD1 3.34Å; S32-N34 PolarHBondContact O-N 2.95Å; N34-H36 PolarHBondContact O-N 3.48Å; N34-L37 WeakPolarHBondContact O-CB 3.44Å; N34-L37 PolarHBondContact O-N 3.07Å; N34-V38 WeakPolarHBondContact O-CG2 3.49Å; N34-V38 PolarHBondContact O-N 3.18Å
35Q94.9Very high95.3Very high123 Ų12387.5 Ų87.558%0.57543%0.427SS*.G310 helixtrans-54.8-32-173.670.1-176.4-6.300113.4V30 H31 S32 L37 V38V30-Q35 HydrophobicContact CG1-CB 4.07Å; H31-Q35 PolarHBondContact O-N 3.35Å; S32-Q35 WeakPolarHBondContact O-CG 3.31Å; Q35-L37 PolarHBondContact O-N 3.27Å; Q35-V38 PolarHBondContact O-N 3.31Å
36H95.1Very high95.4Very high143 Ų14382 Ų8266%0.66241%0.411SS*.G310 helixtrans-72.9-16.2-179.268.9-84.8000113.3E33 N34E33-H36 PolarHBondContact O-CE1 3.41Å; E33-H36 PolarHBondContact O-ND1 2.62Å; N34-H36 PolarHBondContact O-N 3.48Å
37L93.6Very high95.4Very high121 Ų12180.2 Ų80.263%0.63441%0.406SS*.G310 helixtrans-95-11.7175-56.5176.2000112.2N34 Q35N34-L37 WeakPolarHBondContact O-CB 3.44Å; N34-L37 PolarHBondContact O-N 3.07Å; Q35-L37 PolarHBondContact O-N 3.27Å
38V95.5Very high95.5Very high47 Ų4778.8 Ų78.829%0.28540%0.398SS..  trans-100.5114.3-173.4-179.20000109.4V30 N34 Q35 L43V30-V38 HydrophobicContact CG2-CB 4.37Å; V30-V38 HydrophobicContact CG2-CG1 3.84Å; V30-V38 HydrophobicContact CG2-CG2 4.2Å; N34-V38 WeakPolarHBondContact O-CG2 3.49Å; N34-V38 PolarHBondContact O-N 3.18Å; Q35-V38 PolarHBondContact O-N 3.31Å; V38-L43 HydrophobicContact CG1-CD1 3.72Å; V38-L43 HydrophobicContact CG1-CD2 3.77Å; V38-L43 HydrophobicContact CG1-CG 3.69Å
39S95.8Very high95.6Very high34 Ų3473 Ų7324%0.23838%0.38CS..  trans-117.2159.9167.6860000110.5E41 A42 L43S39-E41 WeakPolarHBondContact CB-OE2 3.28Å; S39-E41 PolarHBondContact O-N 2.59Å; S39-E41 PolarHBondContact OG-N 3.36Å; S39-E41 PolarHBondContact OG-OE2 2.68Å; S39-A42 WeakPolarHBondContact O-CB 3.35Å; S39-A42 PolarHBondContact O-N 3.31Å; S39-A42 PolarHBondContact OG-N 3.4Å; S39-L43 PolarHBondContact O-N 3.21Å; S39-L43 VanDerWaalsContact O-N 3.09Å
40P95.1Very high95.7Very high104 Ų10473 Ų7368%0.67539%0.385SS*.Hα-helixtrans-53.5-39174.2-25.935.4000112.7L43 D44P40-L43 PolarHBondContact O-N 2.99Å; P40-D44 WeakPolarHBondContact O-CB 3.19Å; P40-D44 PolarHBondContact O-N 2.93Å
41E96.3Very high95.7Very high87 Ų8774.8 Ų74.841%0.40739%0.385SS..Hα-helixtrans-68.1-36.1178-53.476.7-168.100111.8S39 F45 H66 Y68S39-E41 WeakPolarHBondContact CB-OE2 3.28Å; S39-E41 PolarHBondContact O-N 2.59Å; S39-E41 PolarHBondContact OG-N 3.36Å; S39-E41 PolarHBondContact OG-OE2 2.68Å; E41-F45 VanDerWaalsContact O-CB 3.28Å; E41-F45 WeakPolarHBondContact O-CB 3.4Å; E41-F45 PolarHBondContact O-N 3.15Å; E41-H66 PolarHBondContact O-CE1 3.42Å; E41-Y68 HydrophobicContact CB-CD2 4.24Å
42A95.4Very high95.7Very high16 Ų1679.5 Ų79.513%0.13240%0.4CS..Hα-helixtrans-65.3-44.2176.600000111.3S39 F45 L46 Y68S39-A42 WeakPolarHBondContact O-CB 3.35Å; S39-A42 PolarHBondContact O-N 3.31Å; S39-A42 PolarHBondContact OG-N 3.4Å; A42-F45 PolarHBondContact O-N 3.29Å; A42-L46 WeakPolarHBondContact O-CB 3.47Å; A42-L46 PolarHBondContact O-N 3.24Å; A42-Y68 HydrophobicContact CB-CD2 3.81Å; A42-Y68 HydrophobicContact CB-CE2 3.45Å; A42-Y68 VanDerWaalsContact CB-CE2 3.45Å
43L96.3Very high95.6Very high32 Ų3277.4 Ų77.417%0.16838%0.383CS..Hα-helixtrans-68.4-41.8178.5-63.8-175.1000111.7W26 V38 S39 P40 F45 L46 D47W26-L43 HydrophobicContact CB-CB 4.42Å; W26-L43 HydrophobicContact CB-CD1 3.93Å; W26-L43 HydrophobicContact CB-CD2 3.82Å; W26-L43 HydrophobicContact CB-CG 4.27Å; W26-L43 HydrophobicContact CG-CD2 4.34Å; V38-L43 HydrophobicContact CG1-CD1 3.72Å; V38-L43 HydrophobicContact CG1-CD2 3.77Å; V38-L43 HydrophobicContact CG1-CG 3.69Å; S39-L43 PolarHBondContact O-N 3.21Å; S39-L43 VanDerWaalsContact O-N 3.09Å; P40-L43 PolarHBondContact O-N 2.99Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-L46 PolarHBondContact O-N 3.24Å; L43-D47 WeakPolarHBondContact O-CB 3.48Å; L43-D47 PolarHBondContact O-N 3.37Å
44D95.9Very high95.5Very high71 Ų7174.4 Ų74.438%0.3837%0.369SS..Hα-helixtrans-62.4-41.5175.6-179.453.1000111.8P40 D47 K48 H66P40-D44 WeakPolarHBondContact O-CB 3.19Å; P40-D44 PolarHBondContact O-N 2.93Å; D44-D47 PolarHBondContact O-N 3.39Å; D44-K48 VanDerWaalsContact CG-NZ 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.43Å; D44-K48 PolarHBondContact O-N 3.01Å; D44-K48 VanDerWaalsContact OD1-CE 3.24Å; D44-K48 WeakPolarHBondContact OD1-CE 3.24Å; D44-K48 IonicContact OD1-NZ 3.36Å; D44-K48 PolarHBondContact OD1-NZ 2.97Å; D44-K48 WeakPolarHBondContact OD2-CE 3.33Å; D44-K48 IonicContact OD2-NZ 2.59Å; D44-K48 PolarHBondContact OD2-NZ 3.45Å; D44-H66 IonicContact OD2-CE1 2.73Å; D44-H66 IonicContact OD2-NE2 3.18Å; D44-H66 PolarHBondContact OD2-NE2 2.98Å
45F96.6Very high95.4Very high31 Ų3179.3 Ų79.314%0.13639%0.39CS..Hα-helixtrans-60-50.3173.7-178.8-123.3000111.8E41 A42 L43 D47 K48 L49 L58 A63 H66 Y68 F69E41-F45 VanDerWaalsContact O-CB 3.28Å; E41-F45 WeakPolarHBondContact O-CB 3.4Å; E41-F45 PolarHBondContact O-N 3.15Å; A42-F45 PolarHBondContact O-N 3.29Å; L43-F45 VanDerWaalsContact C-N 3.34Å; F45-D47 VanDerWaalsContact C-N 3.28Å; F45-D47 PolarHBondContact O-N 3.4Å; F45-K48 PolarHBondContact O-N 3.48Å; F45-L49 HydrophobicContact CD1-CD1 4.15Å; F45-L49 HydrophobicContact CE1-CD1 3.58Å; F45-L49 HydrophobicContact CE2-CD1 4.02Å; F45-L49 HydrophobicContact CE2-CG 4.26Å; F45-L49 HydrophobicContact CZ-CD1 3.51Å; F45-L49 HydrophobicContact CZ-CG 4.23Å; F45-L49 PolarHBondContact O-N 3.09Å; F45-L58 HydrophobicContact CD2-CD1 4.16Å; F45-L58 HydrophobicContact CE2-CD1 4.18Å; F45-A63 HydrophobicContact CE2-CB 3.63Å; F45-A63 HydrophobicContact CZ-CB 3.93Å; F45-H66 HydrophobicContact CD2-CB 3.85Å; F45-H66 AromaticContact CD2-CD2 3.94Å; F45-H66 AromaticContact CD2-CG 3.59Å; F45-H66 AromaticContact CD2-ND1 3.85Å; F45-H66 HydrophobicContact CE2-CB 4.23Å; F45-H66 AromaticContact CG-ND1 4Å; F45-Y68 HydrophobicContact CD1-CD1 4.19Å; F45-F69 HydrophobicContact CD1-CE2 4.31Å; F45-F69 HydrophobicContact CD1-CZ 4.43Å; F45-F69 HydrophobicContact CD2-CE2 4.41Å; F45-F69 AromaticContact CE1-CE2 3.74Å; F45-F69 HydrophobicContact CE1-CE2 3.74Å; F45-F69 AromaticContact CE1-CZ 3.75Å; F45-F69 HydrophobicContact CE1-CZ 3.75Å; F45-F69 AromaticContact CE2-CE2 3.88Å; F45-F69 HydrophobicContact CE2-CE2 3.88Å; F45-F69 AromaticContact CZ-CE2 3.5Å; F45-F69 HydrophobicContact CZ-CE2 3.5Å; F45-F69 VanDerWaalsContact CZ-CE2 3.5Å; F45-F69 AromaticContact CZ-CZ 3.88Å; F45-F69 HydrophobicContact CZ-CZ 3.88Å
46L96.6Very high95.3Very high62 Ų6276.2 Ų76.233%0.32538%0.382SS..Hα-helixtrans-61.1-38.8179.6-174.264.5000111.8W26 A42 L43 K48 L49 L50W26-L46 HydrophobicContact CD2-CD2 4.4Å; W26-L46 HydrophobicContact CE3-CD2 4.08Å; W26-L46 HydrophobicContact CH2-CD2 4.11Å; W26-L46 HydrophobicContact CH2-CG 4.37Å; W26-L46 HydrophobicContact CZ2-CD2 4.38Å; W26-L46 HydrophobicContact CZ2-CG 4.35Å; W26-L46 HydrophobicContact CZ3-CD2 3.94Å; A42-L46 WeakPolarHBondContact O-CB 3.47Å; A42-L46 PolarHBondContact O-N 3.24Å; L43-L46 PolarHBondContact O-N 3.24Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.17Å; L46-L49 VanDerWaalsContact O-N 3.15Å; L46-L50 HydrophobicContact CD1-CD1 3.56Å; L46-L50 HydrophobicContact CD1-CG 3.87Å; L46-L50 HydrophobicContact CD2-CD1 4.27Å; L46-L50 HydrophobicContact CG-CD1 3.77Å; L46-L50 HydrophobicContact CG-CG 4.26Å; L46-L50 PolarHBondContact O-N 3.42Å
47D96Very high95.4Very high26 Ų2675.5 Ų75.514%0.13937%0.374CS..Hα-helixtrans-61.8-37.6179-161.283.1000112.9R23 W26 L43 D44 F45 L49 R51R23-D47 IonicContact CZ-OD1 3.6Å; R23-D47 IonicContact NH2-OD1 2.66Å; R23-D47 PolarHBondContact NH2-OD1 3.23Å; R23-D47 IonicContact NH2-OD2 3.27Å; R23-D47 PolarHBondContact NH2-OD2 3.34Å; W26-D47 PolarHBondContact NE1-OD1 2.9Å; L43-D47 WeakPolarHBondContact O-CB 3.48Å; L43-D47 PolarHBondContact O-N 3.37Å; D44-D47 PolarHBondContact O-N 3.39Å; F45-D47 VanDerWaalsContact C-N 3.28Å; F45-D47 PolarHBondContact O-N 3.4Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-R51 WeakPolarHBondContact O-CD 3.26Å; D47-R51 PolarHBondContact O-NE 3.26Å; D47-R51 IonicContact OD2-CZ 3.6Å; D47-R51 IonicContact OD2-NE 3.42Å; D47-R51 IonicContact OD2-NH2 2.68Å; D47-R51 PolarHBondContact OD2-NH2 2.68Å
48K95.9Very high95.5Very high63 Ų6371.8 Ų71.827%0.27436%0.355SS..Hα-helixtrans-77.6-17.3178.1-64.5170.9-170.4154.60113D44 F45 L46 R57 L58 H66D44-K48 VanDerWaalsContact CG-NZ 3.28Å; D44-K48 WeakPolarHBondContact O-CG 3.43Å; D44-K48 PolarHBondContact O-N 3.01Å; D44-K48 VanDerWaalsContact OD1-CE 3.24Å; D44-K48 WeakPolarHBondContact OD1-CE 3.24Å; D44-K48 IonicContact OD1-NZ 3.36Å; D44-K48 PolarHBondContact OD1-NZ 2.97Å; D44-K48 WeakPolarHBondContact OD2-CE 3.33Å; D44-K48 IonicContact OD2-NZ 2.59Å; D44-K48 PolarHBondContact OD2-NZ 3.45Å; F45-K48 PolarHBondContact O-N 3.48Å; L46-K48 VanDerWaalsContact C-N 3.3Å; L46-K48 PolarHBondContact O-N 2.93Å; K48-R57 WeakPolarHBondContact O-CA 3.43Å; K48-L58 HydrophobicContact CB-CD1 3.53Å; K48-L58 HydrophobicContact CB-CG 3.73Å; K48-L58 HydrophobicContact CD-CD1 3.89Å; K48-L58 HydrophobicContact CD-CG 4.44Å; K48-L58 HydrophobicContact CG-CD1 4.37Å; K48-L58 PolarHBondContact O-N 2.66Å; K48-H66 PolarHBondContact NZ-NE2 2.69Å
49L95.9Very high95.6Very high55 Ų5573 Ų7329%0.28836%0.362SS..Hα-helixtrans-88.4-43.6173.9-69.9176.8000112.6F45 L46 D47 R51 R57 L58F45-L49 HydrophobicContact CD1-CD1 4.15Å; F45-L49 HydrophobicContact CE1-CD1 3.58Å; F45-L49 HydrophobicContact CE2-CD1 4.02Å; F45-L49 HydrophobicContact CE2-CG 4.26Å; F45-L49 HydrophobicContact CZ-CD1 3.51Å; F45-L49 HydrophobicContact CZ-CG 4.23Å; F45-L49 PolarHBondContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 3.17Å; L46-L49 VanDerWaalsContact O-N 3.15Å; D47-L49 VanDerWaalsContact C-N 3.31Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.06Å; L49-R57 VanDerWaalsContact O-CD 3.26Å; L49-R57 WeakPolarHBondContact O-CD 3.21Å; L49-R57 WeakPolarHBondContact O-CG 3.38Å; L49-L58 HydrophobicContact CD2-CB 4.15Å
50L96.2Very high95.6Very high107 Ų10775.2 Ų75.256%0.5638%0.382SS*.SBendtrans-86.664.3-173.9-63.6-176.6000112W26 L46W26-L50 HydrophobicContact CH2-CD1 3.54Å; W26-L50 HydrophobicContact CZ2-CB 4.41Å; W26-L50 HydrophobicContact CZ2-CD1 4.11Å; W26-L50 HydrophobicContact CZ3-CD1 4.41Å; L46-L50 HydrophobicContact CD1-CD1 3.56Å; L46-L50 HydrophobicContact CD1-CG 3.87Å; L46-L50 HydrophobicContact CD2-CD1 4.27Å; L46-L50 HydrophobicContact CG-CD1 3.77Å; L46-L50 HydrophobicContact CG-CG 4.26Å; L46-L50 PolarHBondContact O-N 3.42Å
51R95.8Very high95.5Very high93 Ų9378.8 Ų78.835%0.35138%0.382SS..  trans-110136.9175.8-59.9-64.2-178.8130.8-2111.3D47 L49 D53 S56 R57D47-R51 WeakPolarHBondContact O-CD 3.26Å; D47-R51 PolarHBondContact O-NE 3.26Å; D47-R51 IonicContact OD2-CZ 3.6Å; D47-R51 IonicContact OD2-NE 3.42Å; D47-R51 IonicContact OD2-NH2 2.68Å; D47-R51 PolarHBondContact OD2-NH2 2.68Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.06Å; R51-D53 VanDerWaalsContact C-N 3.31Å; R51-S56 WeakPolarHBondContact CB-OG 3.36Å; R51-R57 HydrophobicContact CB-CG 4.08Å
52Y94.2Very high95.5Very high204 Ų20478.6 Ų78.680%0.838%0.381SS*.SBendtrans-59.8-44.8171.7-71.3-67000111.1Y2 H54Y2-Y52 WeakPolarHBondContact CD2-O 3.34Å; Y2-Y52 WeakPolarHBondContact CE2-O 3.28Å; Y52-H54 PolarHBondContact O-N 3.46Å
53D94.8Very high95.5Very high32 Ų3278.4 Ų78.417%0.17138%0.38CS..SBendtrans-72.8111175.7-170.2-4.2000110.9Y2 K5 Y6 R51 Q55 S56Y2-D53 HydrophobicContact CD2-CB 4.02Å; Y2-D53 HydrophobicContact CE2-CB 4.38Å; K5-D53 IonicContact NZ-OD2 2.99Å; K5-D53 PolarHBondContact NZ-OD2 3.22Å; Y6-D53 WeakPolarHBondContact CE2-OD1 3.47Å; Y6-D53 PolarHBondContact OH-OD1 3.49Å; R51-D53 VanDerWaalsContact C-N 3.31Å; D53-Q55 VanDerWaalsContact C-N 3.26Å; D53-Q55 PolarHBondContact O-N 3.04Å; D53-Q55 PolarHBondContact OD1-N 3.24Å; D53-S56 PolarHBondContact O-N 3.29Å; D53-S56 PolarHBondContact O-OG 2.68Å
54H93.9Very high95.4Very high78 Ų7883.5 Ų83.536%0.36140%0.404SS..G310 helixtrans-62.8-30.7-177.161.2-89.9000113.5Y2 Y6 Y52 S56 R57Y2-H54 AromaticContact CE2-ND1 3.91Å; Y2-H54 PolarHBondContact OH-ND1 3.22Å; Y6-H54 AromaticContact CE1-CE1 3.56Å; Y6-H54 AromaticContact CZ-CE1 3.45Å; Y6-H54 VanDerWaalsContact CZ-CE1 3.45Å; Y52-H54 PolarHBondContact O-N 3.46Å; H54-S56 PolarHBondContact O-N 3.25Å; H54-R57 PolarHBondContact O-N 2.88Å
55Q93.6Very high95.3Very high136 Ų13685.9 Ų85.964%0.63641%0.413SS*.G310 helixtrans-72.8-20.3177.4-61.5-177.23.400112.6Y6 D53Y6-Q55 VanDerWaalsContact OH-CD 3.28Å; Y6-Q55 WeakPolarHBondContact OH-CG 3.32Å; Y6-Q55 PolarHBondContact OH-NE2 3.48Å; D53-Q55 VanDerWaalsContact C-N 3.26Å; D53-Q55 PolarHBondContact O-N 3.04Å; D53-Q55 PolarHBondContact OD1-N 3.24Å
56S93.4Very high95.4Very high59 Ų5984.8 Ų84.841%0.41341%0.408SS..G310 helixtrans-88.5-5.2178.773.20000113.8R51 D53 H54R51-S56 WeakPolarHBondContact CB-OG 3.36Å; D53-S56 PolarHBondContact O-N 3.29Å; D53-S56 PolarHBondContact O-OG 2.68Å; H54-S56 PolarHBondContact O-N 3.25Å
57R96.6Very high95.4Very high128 Ų12884.7 Ų84.748%0.48341%0.412SS..SBendtrans-75142.2176.9-65.6-169.6-111.7152.90.8109.7K48 L49 R51 H54 T59K48-R57 WeakPolarHBondContact O-CA 3.43Å; L49-R57 VanDerWaalsContact O-CD 3.26Å; L49-R57 WeakPolarHBondContact O-CD 3.21Å; L49-R57 WeakPolarHBondContact O-CG 3.38Å; R51-R57 HydrophobicContact CB-CG 4.08Å; H54-R57 PolarHBondContact O-N 2.88Å; R57-T59 PolarHBondContact O-N 2.83Å
58L95.8Very high95.4Very high43 Ų4388.1 Ų88.123%0.22542%0.423CS..PPolyproline II helixtrans-59.2135.4170.2-67.2171.7000110.5F45 K48 L49 E62 A63F45-L58 HydrophobicContact CD2-CD1 4.16Å; F45-L58 HydrophobicContact CE2-CD1 4.18Å; K48-L58 HydrophobicContact CB-CD1 3.53Å; K48-L58 HydrophobicContact CB-CG 3.73Å; K48-L58 HydrophobicContact CD-CD1 3.89Å; K48-L58 HydrophobicContact CD-CG 4.44Å; K48-L58 HydrophobicContact CG-CD1 4.37Å; K48-L58 PolarHBondContact O-N 2.66Å; L49-L58 HydrophobicContact CD2-CB 4.15Å; L58-E62 HydrophobicContact CB-CB 4.39Å; L58-E62 HydrophobicContact CD2-CB 3.87Å; L58-A63 HydrophobicContact CB-CB 4.4Å
59T96.9Very high95.4Very high72 Ų7288 Ų8844%0.44242%0.423SS..PPolyproline II helixtrans-69.7162.5165.664.70000110.4R57 R61 E62 A63R57-T59 PolarHBondContact O-N 2.83Å; T59-R61 VanDerWaalsContact C-N 3.25Å; T59-R61 PolarHBondContact O-N 3.36Å; T59-E62 WeakPolarHBondContact CB-OE2 3.47Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.15Å; T59-E62 PolarHBondContact N-OE2 3.21Å; T59-E62 PolarHBondContact O-N 2.92Å; T59-E62 VanDerWaalsContact OG1-CG 3.24Å; T59-E62 WeakPolarHBondContact OG1-CG 3.24Å; T59-E62 PolarHBondContact OG1-N 2.79Å; T59-E62 PolarHBondContact OG1-OE2 2.87Å; T59-A63 VanDerWaalsContact O-CB 3.29Å; T59-A63 WeakPolarHBondContact O-CB 3.43Å; T59-A63 PolarHBondContact O-N 2.58Å
60A96Very high95.3Very high80 Ų8092.2 Ų92.266%0.66144%0.436SS*.Hα-helixtrans-57.2-39.4178.800000112.6A63 M64A60-A63 PolarHBondContact O-N 3.34Å; A60-M64 VanDerWaalsContact O-CG 3.29Å; A60-M64 WeakPolarHBondContact O-CG 3.42Å; A60-M64 PolarHBondContact O-N 2.93Å
61R94.1Very high95Very high179 Ų17991.6 Ų91.668%0.67544%0.437SS*.Hα-helixtrans-64.7-49.4177.3-177.9177.562174.10.4111.5T59 A63 M64 E65T59-R61 VanDerWaalsContact C-N 3.25Å; T59-R61 PolarHBondContact O-N 3.36Å; R61-A63 PolarHBondContact O-N 3.03Å; R61-M64 PolarHBondContact O-N 3.48Å; R61-E65 WeakPolarHBondContact O-CG 3.47Å; R61-E65 PolarHBondContact O-N 3.01Å
62E95Very high94.8Very high84 Ų8491 Ų9139%0.39344%0.443SS..Hα-helixtrans-64.3-33.2178.2-65161.4149.800111.7L58 T59 E65 H66L58-E62 HydrophobicContact CB-CB 4.39Å; L58-E62 HydrophobicContact CD2-CB 3.87Å; T59-E62 WeakPolarHBondContact CB-OE2 3.47Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.15Å; T59-E62 PolarHBondContact N-OE2 3.21Å; T59-E62 PolarHBondContact O-N 2.92Å; T59-E62 VanDerWaalsContact OG1-CG 3.24Å; T59-E62 WeakPolarHBondContact OG1-CG 3.24Å; T59-E62 PolarHBondContact OG1-N 2.79Å; T59-E62 PolarHBondContact OG1-OE2 2.87Å; E62-E65 PolarHBondContact O-N 2.83Å; E62-H66 PolarHBondContact O-N 2.99Å
63A95.9Very high94.6Very high12 Ų1285 Ų8510%0.09943%0.428CS..Hα-helixtrans-65-41.8174.800000112.1F45 L58 T59 A60 R61 E65 H66 F69F45-A63 HydrophobicContact CE2-CB 3.63Å; F45-A63 HydrophobicContact CZ-CB 3.93Å; L58-A63 HydrophobicContact CB-CB 4.4Å; T59-A63 VanDerWaalsContact O-CB 3.29Å; T59-A63 WeakPolarHBondContact O-CB 3.43Å; T59-A63 PolarHBondContact O-N 2.58Å; A60-A63 PolarHBondContact O-N 3.34Å; R61-A63 PolarHBondContact O-N 3.03Å; A63-E65 PolarHBondContact O-N 3.5Å; A63-H66 WeakPolarHBondContact O-CB 3.47Å; A63-H66 PolarHBondContact O-N 2.99Å; A63-H66 VanDerWaalsContact O-N 3.14Å; A63-F69 WeakPolarHBondContact O-CD2 3.31Å; A63-F69 VanDerWaalsContact O-CE2 3.31Å; A63-F69 WeakPolarHBondContact O-CE2 3.49Å
64M94.7Very high94.3Very high138 Ų13889.1 Ų89.168%0.6844%0.444SS*.Hα-helixtrans-64.9-28.4175.4-70.2173.668.400112.7A60 R61 H66A60-M64 VanDerWaalsContact O-CG 3.29Å; A60-M64 WeakPolarHBondContact O-CG 3.42Å; A60-M64 PolarHBondContact O-N 2.93Å; R61-M64 PolarHBondContact O-N 3.48Å; M64-H66 VanDerWaalsContact C-N 3.26Å; M64-H66 PolarHBondContact O-N 3.17Å
65E94.4Very high94Very high121 Ų12189 Ų8957%0.56545%0.446SS*.THydrogen-bonded Turntrans-81.5-1.4176.5-68169.7-169.900113R61 E62 A63 Y70R61-E65 WeakPolarHBondContact O-CG 3.47Å; R61-E65 PolarHBondContact O-N 3.01Å; E62-E65 PolarHBondContact O-N 2.83Å; A63-E65 PolarHBondContact O-N 3.5Å; E65-Y70 WeakPolarHBondContact O-CE1 3.48Å
66H97.5Very high93.8Very high8 Ų888.9 Ų88.94%0.03745%0.446CS..SBendtrans-68.8141.1-178-163.5-94000112.1E41 D44 F45 K48 E62 A63 M64 Y68 F69E41-H66 PolarHBondContact O-CE1 3.42Å; D44-H66 IonicContact OD2-CE1 2.73Å; D44-H66 IonicContact OD2-NE2 3.18Å; D44-H66 PolarHBondContact OD2-NE2 2.98Å; F45-H66 HydrophobicContact CD2-CB 3.85Å; F45-H66 AromaticContact CD2-CD2 3.94Å; F45-H66 AromaticContact CD2-CG 3.59Å; F45-H66 AromaticContact CD2-ND1 3.85Å; F45-H66 HydrophobicContact CE2-CB 4.23Å; F45-H66 AromaticContact CG-ND1 4Å; K48-H66 PolarHBondContact NZ-NE2 2.69Å; E62-H66 PolarHBondContact O-N 2.99Å; A63-H66 WeakPolarHBondContact O-CB 3.47Å; A63-H66 PolarHBondContact O-N 2.99Å; A63-H66 VanDerWaalsContact O-N 3.14Å; M64-H66 VanDerWaalsContact C-N 3.26Å; M64-H66 PolarHBondContact O-N 3.17Å; H66-Y68 WeakPolarHBondContact ND1-CB 3.18Å; H66-Y68 PolarHBondContact ND1-N 2.93Å; H66-Y68 PolarHBondContact O-N 3.02Å; H66-F69 HydrophobicContact CB-CD2 4.24Å; H66-F69 PolarHBondContact O-N 3.28Å
67P96.1Very high93.2Very high61 Ų6189.5 Ų89.540%0.39646%0.455SS..G310 helixtrans-51.7-28.7178.1-30.936.4000115.3F69 Y70P67-F69 PolarHBondContact O-N 3.2Å; P67-Y70 HydrophobicContact CB-CD2 4.22Å; P67-Y70 HydrophobicContact CB-CE2 4.04Å; P67-Y70 HydrophobicContact CG-CE2 4.21Å; P67-Y70 WeakPolarHBondContact O-CB 3.37Å; P67-Y70 PolarHBondContact O-N 3.29Å; P67-Y70 VanDerWaalsContact O-N 3.14Å
68Y96.4Very high92.4Very high97 Ų9790.9 Ų90.938%0.3846%0.46SS..G310 helixtrans-54.4-32.4174.7-176.8-111.1000113E41 A42 F45 H66E41-Y68 HydrophobicContact CB-CD2 4.24Å; A42-Y68 HydrophobicContact CB-CD2 3.81Å; A42-Y68 HydrophobicContact CB-CE2 3.45Å; A42-Y68 VanDerWaalsContact CB-CE2 3.45Å; F45-Y68 HydrophobicContact CD1-CD1 4.19Å; H66-Y68 WeakPolarHBondContact ND1-CB 3.18Å; H66-Y68 PolarHBondContact ND1-N 2.93Å; H66-Y68 PolarHBondContact O-N 3.02Å
69F95.8Very high91.3Very high62 Ų6294.8 Ų94.827%0.27248%0.478SS..G310 helixtrans-96.81.4-178.9-62.3-70.6000114.5F45 A63 H66 P67 T71 V72 V73F45-F69 HydrophobicContact CD1-CE2 4.31Å; F45-F69 HydrophobicContact CD1-CZ 4.43Å; F45-F69 HydrophobicContact CD2-CE2 4.41Å; F45-F69 AromaticContact CE1-CE2 3.74Å; F45-F69 HydrophobicContact CE1-CE2 3.74Å; F45-F69 AromaticContact CE1-CZ 3.75Å; F45-F69 HydrophobicContact CE1-CZ 3.75Å; F45-F69 AromaticContact CE2-CE2 3.88Å; F45-F69 HydrophobicContact CE2-CE2 3.88Å; F45-F69 AromaticContact CZ-CE2 3.5Å; F45-F69 HydrophobicContact CZ-CE2 3.5Å; F45-F69 VanDerWaalsContact CZ-CE2 3.5Å; F45-F69 AromaticContact CZ-CZ 3.88Å; F45-F69 HydrophobicContact CZ-CZ 3.88Å; A63-F69 WeakPolarHBondContact O-CD2 3.31Å; A63-F69 VanDerWaalsContact O-CE2 3.31Å; A63-F69 WeakPolarHBondContact O-CE2 3.49Å; H66-F69 HydrophobicContact CB-CD2 4.24Å; H66-F69 PolarHBondContact O-N 3.28Å; P67-F69 PolarHBondContact O-N 3.2Å; F69-T71 VanDerWaalsContact C-N 3.27Å; F69-T71 PolarHBondContact O-N 3.19Å; F69-V72 WeakPolarHBondContact O-CB 3.25Å; F69-V72 PolarHBondContact O-N 3.39Å; F69-V72 VanDerWaalsContact O-N 3.07Å; F69-V73 WeakPolarHBondContact O-CG2 3.47Å; F69-V73 PolarHBondContact O-N 3.15Å
70Y93.4Very high89.6Confident143 Ų14394.4 Ų94.456%0.56149%0.489SS*.Hα-helixtrans-58.4-36.5-175.3-77.10.2000113.7E65 P67 K74E65-Y70 WeakPolarHBondContact O-CE1 3.48Å; P67-Y70 HydrophobicContact CB-CD2 4.22Å; P67-Y70 HydrophobicContact CB-CE2 4.04Å; P67-Y70 HydrophobicContact CG-CE2 4.21Å; P67-Y70 WeakPolarHBondContact O-CB 3.37Å; P67-Y70 PolarHBondContact O-N 3.29Å; P67-Y70 VanDerWaalsContact O-N 3.14Å; Y70-K74 VanDerWaalsContact O-CB 3.25Å; Y70-K74 WeakPolarHBondContact O-CB 3.42Å; Y70-K74 PolarHBondContact O-N 3.06Å
71T90.8Very high87.8Confident94 Ų9495.9 Ų95.958%0.57749%0.494SS*.Hα-helixtrans-64.5-45.9176.152.10000111.2F69 K74 D75F69-T71 VanDerWaalsContact C-N 3.27Å; F69-T71 PolarHBondContact O-N 3.19Å; T71-K74 PolarHBondContact O-N 3.46Å; T71-D75 PolarHBondContact O-N 2.73Å
72V92Very high86.1Confident80 Ų8091.9 Ų91.949%0.48549%0.494SS..Hα-helixtrans-62.2-47.5178.6-178.20000111.1F69 K74 D75 Q76F69-V72 WeakPolarHBondContact O-CB 3.25Å; F69-V72 PolarHBondContact O-N 3.39Å; F69-V72 VanDerWaalsContact O-N 3.07Å; V72-K74 VanDerWaalsContact C-N 3.32Å; V72-K74 PolarHBondContact O-N 3.09Å; V72-D75 PolarHBondContact O-N 3.22Å; V72-Q76 VanDerWaalsContact O-CB 3.31Å; V72-Q76 WeakPolarHBondContact O-CB 3.39Å; V72-Q76 PolarHBondContact O-N 3.28Å
73V89.9Confident83.7Confident79 Ų7992.5 Ų92.548%0.47951%0.507SS..Hα-helixtrans-62-42.1179.2174.80000111F69 A77F69-V73 WeakPolarHBondContact O-CG2 3.47Å; F69-V73 PolarHBondContact O-N 3.15Å; V73-A77 WeakPolarHBondContact O-CB 3.49Å; V73-A77 PolarHBondContact O-N 2.93Å
74K87.8Confident81.7Confident118 Ų11899.7 Ų99.751%0.51354%0.541SS..Hα-helixtrans-63.8-43.4177.5-178.2179.4179.4-179.70112.1Y70 T71 V72 A77 R78Y70-K74 VanDerWaalsContact O-CB 3.25Å; Y70-K74 WeakPolarHBondContact O-CB 3.42Å; Y70-K74 PolarHBondContact O-N 3.06Å; T71-K74 PolarHBondContact O-N 3.46Å; V72-K74 VanDerWaalsContact C-N 3.32Å; V72-K74 PolarHBondContact O-N 3.09Å; K74-A77 PolarHBondContact O-N 2.73Å; K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.4Å; K74-R78 PolarHBondContact O-N 3.27Å; K74-R78 VanDerWaalsContact O-N 3.15Å
75D88.8Confident79.9Confident74 Ų7498.7 Ų98.740%0.39654%0.544SS..Hα-helixtrans-73.4-35.7-179.4-71.1-19.8000112T71 V72 A77 R78 M79T71-D75 PolarHBondContact O-N 2.73Å; V72-D75 PolarHBondContact O-N 3.22Å; D75-A77 PolarHBondContact O-N 2.99Å; D75-R78 WeakPolarHBondContact O-CB 3.33Å; D75-R78 PolarHBondContact O-N 2.94Å; D75-R78 IonicContact OD1-NH1 3.83Å; D75-M79 HydrophobicContact CB-CE 4.45Å; D75-M79 PolarHBondContact O-N 3.05Å
76Q87.6Confident77.5Confident135 Ų13596.7 Ų96.763%0.63156%0.557SS**Hα-helixtrans-61.5-42.7171.5-173.9178.8-10.600111.6V72 R78 M79 G80V72-Q76 VanDerWaalsContact O-CB 3.31Å; V72-Q76 WeakPolarHBondContact O-CB 3.39Å; V72-Q76 PolarHBondContact O-N 3.28Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 2.97Å; Q76-M79 PolarHBondContact O-N 2.93Å; Q76-G80 PolarHBondContact O-N 3.13Å
77A82.5Confident74.9Confident72 Ų7299.9 Ų99.960%0.59559%0.591SS**Hα-helixtrans-63.2-34.2175.600000112.5V73 K74 D75V73-A77 WeakPolarHBondContact O-CB 3.49Å; V73-A77 PolarHBondContact O-N 2.93Å; K74-A77 PolarHBondContact O-N 2.73Å; D75-A77 PolarHBondContact O-N 2.99Å
78R80.1Confident72.5Confident156 Ų156102.7 Ų102.759%0.58961%0.612SS**Hα-helixtrans-70.6-44.4175.7-72.4167.8166.8-165.1-11.3112.2K74 D75 Q76 S81K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.4Å; K74-R78 PolarHBondContact O-N 3.27Å; K74-R78 VanDerWaalsContact O-N 3.15Å; D75-R78 WeakPolarHBondContact O-CB 3.33Å; D75-R78 PolarHBondContact O-N 2.94Å; D75-R78 IonicContact OD1-NH1 3.83Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 2.97Å; R78-S81 PolarHBondContact O-N 3.09Å
79M72.3Confident70.2Confident126 Ų126104.4 Ų104.462%0.62163%0.633SS**Hα-helixtrans-72.8-29.2178.6-71-171.8-76.600113D75 Q76 S81 S82D75-M79 HydrophobicContact CB-CE 4.45Å; D75-M79 PolarHBondContact O-N 3.05Å; Q76-M79 PolarHBondContact O-N 2.93Å; M79-S81 PolarHBondContact O-N 3.3Å; M79-S81 VanDerWaalsContact O-N 3.15Å; M79-S82 PolarHBondContact O-N 3.36Å; M79-S82 PolarHBondContact O-OG 3.48Å
80G60.3Low68Low64 Ų64107.1 Ų107.166%0.6666%0.657SS**THydrogen-bonded Turntrans-65.9-9.4174.700000114.4Q76Q76-G80 PolarHBondContact O-N 3.13Å
81S58.5Low65.9Low111 Ų111107 Ų10778%0.77667%0.671SS**THydrogen-bonded Turntrans-89.6-4.6175.8-1730000114R78 M79R78-S81 PolarHBondContact O-N 3.09Å; M79-S81 PolarHBondContact O-N 3.3Å; M79-S81 VanDerWaalsContact O-N 3.15Å
82S58.5Low63.6Low95 Ų95107.6 Ų107.666%0.66468%0.679SS**SBendtrans-124.512.3-170.351.80000118M79M79-S82 PolarHBondContact O-N 3.36Å; M79-S82 PolarHBondContact O-OG 3.48Å
83S45.5Very low61.3Low96 Ų96109.6 Ų109.667%0.67170%0.696SS**SBendtrans-178.1127.5170.649.80000110.5
84M51.8Low59Low164 Ų164110.8 Ų110.881%0.80871%0.714SS**  cis-160.5156.511.6-92.9-80-90.700109.1
85P57.7Low56.8Low116 Ų116111.9 Ų111.975%0.75373%0.726SS**  trans-85.4135.615433.3-25.5000110.8
86G43.5Very low54.7Low80 Ų80115.8 Ų115.883%0.82574%0.744SS**  trans115.7131.4168.500000114.3
87G42.6Very low52.6Low74 Ų74117.9 Ų117.976%0.76376%0.756SS**  cis-142.5120.917.300000113.7
88S46.3Very low50.7Low120 Ų120119.9 Ų119.984%0.83977%0.765SS**  trans-81.5108.5139.931.70000106.5P90S88-P90 VanDerWaalsContact O-CD 3.28Å; S88-P90 WeakPolarHBondContact O-CD 3.32Å
89T49.4Very low48.7Very low134 Ų134121.2 Ų121.282%0.82278%0.778SS**  trans-70.7118.416439.50000107.7V91T89-V91 PolarHBondContact O-N 3.14Å
90P48.5Very low47.3Very low118 Ų118120.9 Ų120.977%0.76679%0.786SS**  trans-76.2107.6169.930.1-28.5000107.3S88 S92S88-P90 VanDerWaalsContact O-CD 3.28Å; S88-P90 WeakPolarHBondContact O-CD 3.32Å; P90-S92 PolarHBondContact O-N 3.44Å; P90-S92 VanDerWaalsContact O-N 3.15Å
91V49.8Very low46.2Very low142 Ų142126.2 Ų126.286%0.86179%0.793SS**  trans-74.6103165.968.30000107.4T89T89-V91 PolarHBondContact O-N 3.14Å
92S42.3Very low45Very low106 Ų106131 Ų13174%0.74180%0.8SS**  trans-145.998.7167.4-75.70000110.2P90P90-S92 PolarHBondContact O-N 3.44Å; P90-S92 VanDerWaalsContact O-N 3.15Å
93S43.1Very low43.8Very low121 Ų121134.5 Ų134.585%0.84681%0.806SS**  trans53.7119.3140.4-63.30000122.2
94A42.9Very low43.5Very low104 Ų104133.6 Ų133.686%0.8681%0.812SS**  135.8141.5129.500000110.6
95N40.9Very low42.8Very low142 Ų142132.6 Ų132.676%0.75981%0.805SS**  cis-172.6168-6.1177.845.8000105
96M44.3Very low42.2Very low156 Ų156137.7 Ų137.777%0.76881%0.809SS**  trans91.6101.515687.3-143.3157.900121.1
97M43.8Very low42.1Very low179 Ų179140.4 Ų140.488%0.88281%0.805SS**  trans168.586.2132-92.6150.3158.400108.9
98S41.9Very low42.2Very low114 Ų114145 Ų14580%0.79781%0.81SS**  88.285.698.962.30000112.7
99E39.4Very low41.8Very low183 Ų183147.9 Ų147.986%0.85581%0.81SS**PPolyproline II helixtrans-89.7128173.1-168.5178133.200109.4
100P41.6Very low41.3Very low120 Ų120149.3 Ų149.378%0.77981%0.807SS**PPolyproline II helixtrans-82.5122.2169.529.7-27.4000110.2
101Q36.8Very low40.8Very low176 Ų176148.4 Ų148.482%0.82281%0.809SS**PPolyproline II helixtrans-61.7132.6172.2-67.9172.7-5500111
102F34Very low40.2Very low211 Ų211144.9 Ų144.993%0.92580%0.795SS**  trans-130.5115.5149.9-131.3-91.5000109.5
103E33.8Very low40.1Very low169 Ų169146 Ų14679%0.7980%0.798SS**  trans-83138.2-174.6-167.5154.7-174.300110.2
104G38.3Very low40.2Very low76 Ų76150.4 Ų150.478%0.78480%0.796SS**  trans-165.556.5-171.700000113.9
105Q38.1Very low40.2Very low144 Ų144152.2 Ų152.267%0.67379%0.79SS**  trans-24.3130.1163-158.289.513.600115.6
106R44.4Very low40.2Very low223 Ų223148.2 Ų148.284%0.84278%0.783SS**  158.1130.6112.1-82.3179.5-175.7161.22.9111.6
107D40.7Very low40.1Very low136 Ų136149.5 Ų149.573%0.72779%0.787SS**  trans-39143.4166.7-50.8-86.1000113.5
108I45Very low40Very low170 Ų170153 Ų15387%0.87281%0.807SS**  -156.9121.9126.434.4175000110.5
109H38.9Very low39.9Very low182 Ų182154.9 Ų154.984%0.84381%0.808SS**  trans-37.6162.5150.9-85-136.4000113.1
110H37.9Very low39.9Very low164 Ų164153.4 Ų153.476%0.75981%0.805SS**  trans109.693.4146.5-150.4-93.4000115.3A112H110-A112 PolarHBondContact O-N 3.14Å
111A38.8Very low39.8Very low98 Ų98155.3 Ų155.381%0.8181%0.807SS**  trans-48.1123.5146.700000110.1
112A37.1Very low40Very low69 Ų69154.1 Ų154.157%0.5781%0.806SS**  trans177.1123.5142.600000111.5H110H110-A112 PolarHBondContact O-N 3.14Å
113V40.9Very low40.4Very low130 Ų130150.5 Ų150.579%0.78880%0.799SS**  58.8106.3125.4-173.90000117
114R44.4Very low40.8Very low213 Ų213149.3 Ų149.380%0.80480%0.799SS**  170.5130.4113.2-100.4-177.3162.7164.3-1.7112.8
115L42.6Very low41Very low141 Ų141154.5 Ų154.574%0.73880%0.8SS**  trans58.4123.6130.9-60.2164000116.6
116G41.8Very low41.2Very low59 Ų59155.3 Ų155.361%0.60881%0.81SS**  83.3117.956.800000109
117Q41.8Very low40.9Very low183 Ų183149.7 Ų149.786%0.85581%0.807SS**  trans75.2105.1170.8-64.3152.8-45.600116.4
118L41.1Very low40.9Very low251 Ų251150.9 Ų150.9100%1.31482%0.815SS**  -151.5087.8-88.5163000109.4

Retrieved 118 of 118 residues in 28.7 ms (Link to these results)