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Lipid transport auxiliary protein 1

Required for the formation of endoplasmic reticulum-plasma membrane junctions and functions as an accessory protein for bridge-like lipid transfer protein BLTP1, participating in lipid delivery between endoplasmic reticulum and cell membranes. Regulates the phagocytosis of Gram-negative bacteria like L. pneumophila and E. coli, as well as Gram-positive bacteria such as S. aureus.

AlphaFold DB , UniProt , Accession X6R6S3, Species HUMAN (Homo sapiens, Human), Gene LTAP1, Length 235 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
1M50.7Low65Low246 Ų246109 Ų109100%1.21265%0.652SS**  098.10-71.8153.190.800108.4
2A51.2Low66.9Low94 Ų94108.2 Ų108.278%0.77764%0.642SS**  trans-173.171.2167.100000110.6
3S55.4Low68.5Low117 Ų117106.4 Ų106.482%0.81863%0.632SS**  trans-122.910.2170.4-66.10000113.4
4G59.9Low70Confident52 Ų52105.9 Ų105.954%0.53663%0.63SS.*SBendtrans-88.2-13.3-176.300000115.9
5S61Low71.5Confident77 Ų77104.1 Ų104.154%0.53862%0.616SS.*Hα-helixtrans-83.6-33.8-169.4470000114.6S9S5-S9 PolarHBondContact O-N 2.98Å
6N64.3Low72.7Confident133 Ų133104.1 Ų104.171%0.71162%0.617SS**Hα-helixtrans-75.7-31.6-175.5-62.4-29.5000113S9 G10N6-S9 PolarHBondContact O-N 3.15Å; N6-G10 PolarHBondContact O-N 3.34Å; N6-G10 VanDerWaalsContact O-N 3.16Å
7W63.9Low73.9Confident203 Ų203105.9 Ų105.977%0.76962%0.619SS**Hα-helixtrans-66-44.1176.9179.7-95.9000112S9 G10 V11W7-S9 VanDerWaalsContact C-N 3.32Å; W7-S9 PolarHBondContact O-N 2.94Å; W7-G10 PolarHBondContact O-N 2.97Å; W7-V11 WeakPolarHBondContact O-CG2 3.2Å; W7-V11 PolarHBondContact O-N 2.86Å
8L66.3Low75Confident108 Ų108102.8 Ų102.857%0.56561%0.608SS**Hα-helixtrans-66-34.8178-64.4172.2000111.9N12L8-N12 WeakPolarHBondContact O-CB 3.38Å; L8-N12 VanDerWaalsContact O-CG 3.23Å; L8-N12 PolarHBondContact O-N 3.36Å
9S75.6Confident76.1Confident72 Ų72105.2 Ų105.250%0.50361%0.607SS.*Hα-helixtrans-64.9-44.8174.8-175.60000111.9S5 N6 W7 N12 V13S5-S9 PolarHBondContact O-N 2.98Å; N6-S9 PolarHBondContact O-N 3.15Å; W7-S9 VanDerWaalsContact C-N 3.32Å; W7-S9 PolarHBondContact O-N 2.94Å; S9-N12 PolarHBondContact O-N 3.05Å; S9-V13 WeakPolarHBondContact O-CG2 3.41Å; S9-V13 PolarHBondContact O-N 2.95Å
10G80.1Confident77.1Confident37 Ų37102.1 Ų102.138%0.38160%0.599SS.*Hα-helixtrans-62.3-43.4175.400000112.8N6 W7 N12 V13 V14N6-G10 PolarHBondContact O-N 3.34Å; N6-G10 VanDerWaalsContact O-N 3.16Å; W7-G10 PolarHBondContact O-N 2.97Å; G10-N12 PolarHBondContact O-N 3.3Å; G10-V13 PolarHBondContact O-N 3.47Å; G10-V14 WeakPolarHBondContact O-CG2 3.18Å; G10-V14 PolarHBondContact O-N 3.47Å
11V86.8Confident77.9Confident60 Ų60100.4 Ų100.436%0.36459%0.592SS.*Hα-helixtrans-61.9-42.4176.4172.60000111.4W7 V13 V14 L15W7-V11 WeakPolarHBondContact O-CG2 3.2Å; W7-V11 PolarHBondContact O-N 2.86Å; V11-V13 PolarHBondContact O-N 2.98Å; V11-V14 PolarHBondContact O-N 3.49Å; V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 HydrophobicContact CG1-CG 4.43Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 2.81Å
12N87Confident80Confident99 Ų9993 Ų9353%0.52956%0.558SS.*Hα-helixtrans-64.2-39.6177.3-74.1-8.3000112.3L8 S9 G10 L15 V16L8-N12 WeakPolarHBondContact O-CB 3.38Å; L8-N12 VanDerWaalsContact O-CG 3.23Å; L8-N12 PolarHBondContact O-N 3.36Å; S9-N12 PolarHBondContact O-N 3.05Å; G10-N12 PolarHBondContact O-N 3.3Å; N12-L15 PolarHBondContact O-N 3.48Å; N12-V16 VanDerWaalsContact O-CG2 3.28Å; N12-V16 WeakPolarHBondContact O-CG2 3.45Å; N12-V16 PolarHBondContact O-N 3.3Å
13V88.3Confident82.1Confident85 Ų8592.6 Ų92.652%0.51555%0.545SS..Hα-helixtrans-63-43.3175.2172.60000111.1S9 G10 V11 V16 M17S9-V13 WeakPolarHBondContact O-CG2 3.41Å; S9-V13 PolarHBondContact O-N 2.95Å; G10-V13 PolarHBondContact O-N 3.47Å; V11-V13 PolarHBondContact O-N 2.98Å; V13-V16 PolarHBondContact O-N 3.14Å; V13-M17 WeakPolarHBondContact O-CG 3.44Å; V13-M17 PolarHBondContact O-N 3.48Å
14V89.9Confident83.9Confident100 Ų10094 Ų9461%0.60654%0.536SS*.Hα-helixtrans-64.2-41.8177.1174.60000111.1G10 V11 M17 A18G10-V14 WeakPolarHBondContact O-CG2 3.18Å; G10-V14 PolarHBondContact O-N 3.47Å; V11-V14 PolarHBondContact O-N 3.49Å; V14-M17 PolarHBondContact O-N 3.41Å; V14-A18 VanDerWaalsContact O-CB 3.27Å; V14-A18 WeakPolarHBondContact O-CB 3.43Å; V14-A18 PolarHBondContact O-N 3.44Å
15L91.5Very high85.6Confident78 Ų7895.1 Ų95.141%0.40853%0.533SS..Hα-helixtrans-61.9-46.3175.9-73167.4000111.2V11 N12 M17 A18 Y19V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 HydrophobicContact CG1-CG 4.43Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 2.81Å; N12-L15 PolarHBondContact O-N 3.48Å; L15-M17 VanDerWaalsContact C-N 3.32Å; L15-M17 PolarHBondContact O-N 2.93Å; L15-A18 PolarHBondContact O-N 3.26Å; L15-Y19 HydrophobicContact CB-CD2 4.34Å; L15-Y19 HydrophobicContact CD2-CD2 4.45Å; L15-Y19 HydrophobicContact CD2-CE2 3.88Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 WeakPolarHBondContact O-CD2 3.22Å; L15-Y19 PolarHBondContact O-N 3.29Å
16V91.8Very high87.1Confident105 Ų10595.3 Ų95.364%0.63653%0.528SS*.Hα-helixtrans-61.7-40.6178.41720000111.3N12 V13 G20N12-V16 VanDerWaalsContact O-CG2 3.28Å; N12-V16 WeakPolarHBondContact O-CG2 3.45Å; N12-V16 PolarHBondContact O-N 3.3Å; V13-V16 PolarHBondContact O-N 3.14Å; V16-G20 WeakPolarHBondContact O-CA 3.28Å; V16-G20 PolarHBondContact O-N 2.83Å
17M93.2Very high88.4Confident134 Ų13493.8 Ų93.866%0.6652%0.519SS*.Hα-helixtrans-69.2-40.9176.5-73.8-64.9-179.500112.7V13 V14 L15 S21V13-M17 WeakPolarHBondContact O-CG 3.44Å; V13-M17 PolarHBondContact O-N 3.48Å; V14-M17 PolarHBondContact O-N 3.41Å; L15-M17 VanDerWaalsContact C-N 3.32Å; L15-M17 PolarHBondContact O-N 2.93Å; M17-S21 VanDerWaalsContact O-CB 3.29Å; M17-S21 WeakPolarHBondContact O-CB 3.08Å; M17-S21 PolarHBondContact O-N 3.45Å; M17-S21 PolarHBondContact O-OG 3.36Å
18A93.9Very high89.7Confident51 Ų5190.3 Ų90.342%0.42151%0.509SS..Hα-helixtrans-66-48.6177.700000111.4V14 L15 S21 L22V14-A18 VanDerWaalsContact O-CB 3.27Å; V14-A18 WeakPolarHBondContact O-CB 3.43Å; V14-A18 PolarHBondContact O-N 3.44Å; L15-A18 PolarHBondContact O-N 3.26Å; A18-S21 PolarHBondContact O-OG 3.45Å; A18-L22 VanDerWaalsContact O-CB 3.22Å; A18-L22 WeakPolarHBondContact O-CB 3.46Å; A18-L22 PolarHBondContact O-N 3.15Å
19Y95.5Very high90.8Very high148 Ų14889.3 Ų89.358%0.5850%0.503SS*.Hα-helixtrans-69.2-39.2177.3-77.2-70.9000112.1L15 L22 V23L15-Y19 HydrophobicContact CB-CD2 4.34Å; L15-Y19 HydrophobicContact CD2-CD2 4.45Å; L15-Y19 HydrophobicContact CD2-CE2 3.88Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 WeakPolarHBondContact O-CD2 3.22Å; L15-Y19 PolarHBondContact O-N 3.29Å; Y19-L22 HydrophobicContact CD1-CD2 4.46Å; Y19-L22 PolarHBondContact O-N 2.74Å; Y19-V23 VanDerWaalsContact O-CG2 3.31Å; Y19-V23 WeakPolarHBondContact O-CG2 3.22Å; Y19-V23 PolarHBondContact O-N 3.5Å
20G94.9Very high91.3Very high43 Ų4391.3 Ų91.344%0.44350%0.503SS..Hα-helixtrans-62.3-45.917700000112.3V16 F24V16-G20 WeakPolarHBondContact O-CA 3.28Å; V16-G20 PolarHBondContact O-N 2.83Å; G20-F24 WeakPolarHBondContact O-CB 3.44Å; G20-F24 PolarHBondContact O-N 3.15Å
21S94.7Very high91.6Very high66 Ų6693.5 Ų93.546%0.46251%0.509SS..Hα-helixtrans-67.7-37.9174.8600000112.4M17 A18 F24 V25M17-S21 VanDerWaalsContact O-CB 3.29Å; M17-S21 WeakPolarHBondContact O-CB 3.08Å; M17-S21 PolarHBondContact O-N 3.45Å; M17-S21 PolarHBondContact O-OG 3.36Å; A18-S21 PolarHBondContact O-OG 3.45Å; S21-F24 PolarHBondContact O-N 2.69Å; S21-V25 WeakPolarHBondContact O-CB 3.46Å; S21-V25 VanDerWaalsContact O-CG2 3.27Å; S21-V25 WeakPolarHBondContact O-CG2 3.5Å; S21-V25 PolarHBondContact O-N 3.11Å
22L94.9Very high91.5Very high92 Ų9297.2 Ų97.248%0.48252%0.52SS..Hα-helixtrans-60.2-47175.4-176.268.2000111.7A18 Y19 F24 V25 L26A18-L22 VanDerWaalsContact O-CB 3.22Å; A18-L22 WeakPolarHBondContact O-CB 3.46Å; A18-L22 PolarHBondContact O-N 3.15Å; Y19-L22 HydrophobicContact CD1-CD2 4.46Å; Y19-L22 PolarHBondContact O-N 2.74Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.16Å; L22-V25 PolarHBondContact O-N 3.43Å; L22-L26 HydrophobicContact CG-CD1 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.45Å
23V94.9Very high91.3Very high84 Ų8498.6 Ų98.651%0.50952%0.518SS..Hα-helixtrans-62.7-41.9176.7172.70000110.7Y19 L26 L27Y19-V23 VanDerWaalsContact O-CG2 3.31Å; Y19-V23 WeakPolarHBondContact O-CG2 3.22Å; Y19-V23 PolarHBondContact O-N 3.5Å; V23-L26 PolarHBondContact O-N 3.06Å; V23-L27 HydrophobicContact CG1-CD1 4.14Å; V23-L27 WeakPolarHBondContact O-CB 3.44Å; V23-L27 WeakPolarHBondContact O-CG 3.17Å; V23-L27 PolarHBondContact O-N 3.47Å
24F94.4Very high90.9Very high146 Ų146101.3 Ų101.364%0.6453%0.525SS*.Hα-helixtrans-63.6-43.4177.4-170.9-98.5000112.4G20 S21 L22 L27 F28G20-F24 WeakPolarHBondContact O-CB 3.44Å; G20-F24 PolarHBondContact O-N 3.15Å; S21-F24 PolarHBondContact O-N 2.69Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.16Å; F24-L27 PolarHBondContact O-N 3.34Å; F24-F28 WeakPolarHBondContact O-CB 3.49Å; F24-F28 PolarHBondContact O-N 3.39Å
25V94Very high90.2Very high77 Ų77101.7 Ų101.747%0.46752%0.523SS..Hα-helixtrans-63-43.3175.1169.50000110.8S21 L22 F28 I29S21-V25 WeakPolarHBondContact O-CB 3.46Å; S21-V25 VanDerWaalsContact O-CG2 3.27Å; S21-V25 WeakPolarHBondContact O-CG2 3.5Å; S21-V25 PolarHBondContact O-N 3.11Å; L22-V25 PolarHBondContact O-N 3.43Å; V25-F28 PolarHBondContact O-N 2.89Å; V25-I29 HydrophobicContact CG1-CD1 3.89Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 2.93Å
26L92.4Very high89.2Confident81 Ų81102.5 Ų102.542%0.42453%0.525SS..Hα-helixtrans-61.6-47.3176-72.5173.2000111.2L22 V23 F28 I29 F30L22-L26 HydrophobicContact CG-CD1 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.45Å; V23-L26 PolarHBondContact O-N 3.06Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-I29 PolarHBondContact O-N 2.86Å; L26-F30 HydrophobicContact CB-CE2 4.43Å; L26-F30 WeakPolarHBondContact O-CD2 3.39Å; L26-F30 PolarHBondContact O-N 3.46Å
27L92.7Very high88Confident100 Ų100105.2 Ų105.252%0.52452%0.524SS..Hα-helixtrans-58-43.3175.1-78.5171.7000111.8V23 F24 I29 F30 V31V23-L27 HydrophobicContact CG1-CD1 4.14Å; V23-L27 WeakPolarHBondContact O-CB 3.44Å; V23-L27 WeakPolarHBondContact O-CG 3.17Å; V23-L27 PolarHBondContact O-N 3.47Å; F24-L27 PolarHBondContact O-N 3.34Å; L27-I29 PolarHBondContact O-N 3.3Å; L27-F30 PolarHBondContact O-N 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.49Å; L27-V31 PolarHBondContact O-N 2.93Å
28F90.5Very high86.5Confident131 Ų131107 Ų10758%0.57553%0.529SS*.Hα-helixtrans-63.4-41.6177.1-172.9-100.1000112.1F24 V25 L26 F30 V31 K32F24-F28 WeakPolarHBondContact O-CB 3.49Å; F24-F28 PolarHBondContact O-N 3.39Å; V25-F28 PolarHBondContact O-N 2.89Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 3.21Å; F28-F30 VanDerWaalsContact C-N 3.34Å; F28-V31 PolarHBondContact O-N 2.86Å; F28-K32 HydrophobicContact CE1-CD 4.46Å; F28-K32 WeakPolarHBondContact O-CB 3.39Å; F28-K32 PolarHBondContact O-N 3.4Å
29I89.1Confident84.7Confident86 Ų86106.5 Ų106.544%0.44152%0.524SS..Hα-helixtrans-63.5-41173.3-67.2165.6000110.3V25 L26 L27 R33V25-I29 HydrophobicContact CG1-CD1 3.89Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 2.93Å; L26-I29 PolarHBondContact O-N 2.86Å; L27-I29 PolarHBondContact O-N 3.3Å; I29-R33 WeakPolarHBondContact O-CA 3.41Å; I29-R33 WeakPolarHBondContact O-CB 3.39Å; I29-R33 PolarHBondContact O-N 2.93Å
30F87Confident82.9Confident114 Ų114105.4 Ų105.450%0.553%0.526SS..Hα-helixtrans-63.1-47.5176.8-81-67.5000111.6L26 L27 F28 R33 Q34L26-F30 HydrophobicContact CB-CE2 4.43Å; L26-F30 WeakPolarHBondContact O-CD2 3.39Å; L26-F30 PolarHBondContact O-N 3.46Å; L27-F30 PolarHBondContact O-N 3.29Å; F28-F30 VanDerWaalsContact C-N 3.34Å; F30-R33 CarbonylContact O-C 3.57Å; F30-R33 PolarHBondContact O-N 3.05Å; F30-Q34 WeakPolarHBondContact O-CB 3.39Å; F30-Q34 VanDerWaalsContact O-CG 3.27Å; F30-Q34 WeakPolarHBondContact O-CG 3.42Å; F30-Q34 PolarHBondContact O-N 3.47Å
31V86.1Confident81.2Confident83 Ų83112.3 Ų112.350%0.50354%0.544SS..Hα-helixtrans-61.7-49.4176.2173.10000110.6L27 F28 R33 Q34 I35L27-V31 WeakPolarHBondContact O-CG2 3.49Å; L27-V31 PolarHBondContact O-N 2.93Å; F28-V31 PolarHBondContact O-N 2.86Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 2.75Å; V31-Q34 PolarHBondContact O-N 2.69Å; V31-I35 HydrophobicContact CG1-CD1 3.7Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 3.25Å
32K85.5Confident79.1Confident138 Ų138112.8 Ų112.860%0.655%0.548SS*.Hα-helixtrans-58.3-40.6175.6-176178.6178.1178.20111.6F28 M36F28-K32 HydrophobicContact CE1-CD 4.46Å; F28-K32 WeakPolarHBondContact O-CB 3.39Å; F28-K32 PolarHBondContact O-N 3.4Å; K32-M36 WeakPolarHBondContact O-CB 3.41Å; K32-M36 PolarHBondContact O-N 3.4Å
33R82.6Confident77.2Confident129 Ų129118.4 Ų118.449%0.48756%0.562SS.*Hα-helixtrans-73-33.4178.9-172.2171.6-174.9-175.10.4112I29 F30 V31 R37I29-R33 WeakPolarHBondContact O-CA 3.41Å; I29-R33 WeakPolarHBondContact O-CB 3.39Å; I29-R33 PolarHBondContact O-N 2.93Å; F30-R33 CarbonylContact O-C 3.57Å; F30-R33 PolarHBondContact O-N 3.05Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 2.75Å; R33-R37 WeakPolarHBondContact O-CB 3.49Å; R33-R37 WeakPolarHBondContact O-CG 3.41Å; R33-R37 PolarHBondContact O-N 3.3Å
34Q79Confident75.3Confident142 Ų142122.7 Ų122.766%0.66457%0.569SS**Hα-helixtrans-70.2-45.4173.8-74.8-152.78.600111.2F30 V31 M36 R37 F38F30-Q34 WeakPolarHBondContact O-CB 3.39Å; F30-Q34 VanDerWaalsContact O-CG 3.27Å; F30-Q34 WeakPolarHBondContact O-CG 3.42Å; F30-Q34 PolarHBondContact O-N 3.47Å; V31-Q34 PolarHBondContact O-N 2.69Å; Q34-M36 VanDerWaalsContact C-N 3.34Å; Q34-M36 PolarHBondContact O-N 2.82Å; Q34-R37 PolarHBondContact O-N 3.01Å; Q34-F38 WeakPolarHBondContact O-CB 3.49Å; Q34-F38 PolarHBondContact O-N 3.47Å
35I75.9Confident73.7Confident107 Ų107117.4 Ų117.455%0.54956%0.556SS.*Hα-helixtrans-62.7-42.1173.4-64.2166.2000110.3V31 F38 A39V31-I35 HydrophobicContact CG1-CD1 3.7Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 3.25Å; I35-F38 PolarHBondContact O-N 3.1Å; I35-A39 VanDerWaalsContact O-CB 3.29Å; I35-A39 WeakPolarHBondContact O-CB 3.33Å; I35-A39 PolarHBondContact O-N 3.21Å
36M69.8Low72Confident95 Ų95120.9 Ų120.947%0.46858%0.58SS.*Hα-helixtrans-62-45.9175.9-173.9178.576.400111.3K32 Q34 F38 A39 M40K32-M36 WeakPolarHBondContact O-CB 3.41Å; K32-M36 PolarHBondContact O-N 3.4Å; Q34-M36 VanDerWaalsContact C-N 3.34Å; Q34-M36 PolarHBondContact O-N 2.82Å; M36-F38 VanDerWaalsContact C-N 3.27Å; M36-F38 PolarHBondContact O-N 3.48Å; M36-A39 PolarHBondContact O-N 3.23Å; M36-M40 HydrophobicContact CG-CE 4.09Å; M36-M40 HydrophobicContact CG-CG 4.03Å; M36-M40 WeakPolarHBondContact O-CB 3.46Å; M36-M40 WeakPolarHBondContact O-CG 3.29Å; M36-M40 PolarHBondContact O-N 3.07Å; M36-M40 HydrophobicContact SD-CE 4.32Å
37R67.6Low70.4Confident163 Ų163125.3 Ų125.362%0.61560%0.598SS**Hα-helixtrans-60.8-36.9174.7-80.2-176.4-170.3-111.67.8112R33 Q34 K41R33-R37 WeakPolarHBondContact O-CB 3.49Å; R33-R37 WeakPolarHBondContact O-CG 3.41Å; R33-R37 PolarHBondContact O-N 3.3Å; Q34-R37 PolarHBondContact O-N 3.01Å; R37-K41 PolarHBondContact O-N 3.31Å
38F60.3Low68.9Low171 Ų171123.9 Ų123.975%0.7559%0.594SS**Hα-helixtrans-73.4-44.7179.6-151.5-93.2000112.1Q34 I35 M36 K41 S42Q34-F38 WeakPolarHBondContact O-CB 3.49Å; Q34-F38 PolarHBondContact O-N 3.47Å; I35-F38 PolarHBondContact O-N 3.1Å; M36-F38 VanDerWaalsContact C-N 3.27Å; M36-F38 PolarHBondContact O-N 3.48Å; F38-K41 WeakPolarHBondContact O-CB 3.24Å; F38-K41 PolarHBondContact O-N 3.3Å; F38-S42 PolarHBondContact O-N 3.11Å
39A56.9Low67.7Low40 Ų40120.4 Ų120.433%0.33158%0.584SS.*Hα-helixtrans-67.9-38.2177.200000112.1I35 M36 K41 S42 R43I35-A39 VanDerWaalsContact O-CB 3.29Å; I35-A39 WeakPolarHBondContact O-CB 3.33Å; I35-A39 PolarHBondContact O-N 3.21Å; M36-A39 PolarHBondContact O-N 3.23Å; A39-K41 VanDerWaalsContact C-N 3.31Å; A39-K41 PolarHBondContact O-N 3.24Å; A39-S42 WeakPolarHBondContact CA-OG 3.48Å; A39-S42 PolarHBondContact O-N 2.95Å; A39-S42 PolarHBondContact O-OG 2.82Å; A39-R43 PolarHBondContact O-N 3.49Å
40M58.5Low66.5Low126 Ų126120.4 Ų120.462%0.62159%0.588SS**Hα-helixtrans-66.8-29.7175.5-68.7-85.1-149.900112.5M36 S42M36-M40 HydrophobicContact CG-CE 4.09Å; M36-M40 HydrophobicContact CG-CG 4.03Å; M36-M40 WeakPolarHBondContact O-CB 3.46Å; M36-M40 WeakPolarHBondContact O-CG 3.29Å; M36-M40 PolarHBondContact O-N 3.07Å; M36-M40 HydrophobicContact SD-CE 4.32Å; M40-S42 VanDerWaalsContact C-N 3.26Å
41K57.8Low65.5Low187 Ų187116.1 Ų116.181%0.81358%0.575SS**Hα-helixtrans-71-23.2171.3-163.4102.2174-171.20112.2R37 F38 A39R37-K41 PolarHBondContact O-N 3.31Å; F38-K41 WeakPolarHBondContact O-CB 3.24Å; F38-K41 PolarHBondContact O-N 3.3Å; A39-K41 VanDerWaalsContact C-N 3.31Å; A39-K41 PolarHBondContact O-N 3.24Å
42S52.1Low64.5Low77 Ų77115.6 Ų115.654%0.53857%0.567SS.*Hα-helixtrans-98.6-6-173.276.90000115.5F38 A39 M40 R44F38-S42 PolarHBondContact O-N 3.11Å; A39-S42 WeakPolarHBondContact CA-OG 3.48Å; A39-S42 PolarHBondContact O-N 2.95Å; A39-S42 PolarHBondContact O-OG 2.82Å; M40-S42 VanDerWaalsContact C-N 3.26Å; S42-R44 PolarHBondContact O-N 3.12Å
43R54.8Low63.8Low209 Ų209115.8 Ų115.879%0.78958%0.575SS**  trans-72.679.7-180-77.2-176.2-179.5-118.50.5110.6A39 G45A39-R43 PolarHBondContact O-N 3.49Å; R43-G45 VanDerWaalsContact C-N 3.35Å; R43-G45 PolarHBondContact O-N 3Å; R43-G45 VanDerWaalsContact O-N 3.15Å
44R55Low63.6Low175 Ų175110.9 Ų110.966%0.6656%0.562SS**  trans-69.693.8157.8-79.4177.6161.4139.8-5.3107.2S42S42-R44 PolarHBondContact O-N 3.12Å
45G59.8Low63.6Low35 Ų35108.4 Ų108.436%0.36156%0.558SS.*  trans-63.4157.6166.300000110.3R43 H47R43-G45 VanDerWaalsContact C-N 3.35Å; R43-G45 PolarHBondContact O-N 3Å; R43-G45 VanDerWaalsContact O-N 3.15Å; G45-H47 CarbonylContact O-C 3.45Å; G45-H47 PolarHBondContact O-N 2.85Å; G45-H47 VanDerWaalsContact O-N 3.09Å
46P58.5Low63.6Low149 Ų149111.1 Ų111.197%0.96857%0.566SS**SBendtrans-55.1-28.1177.6-22.531.7000113
47H58.9Low64Low175 Ų175112.8 Ų112.881%0.8158%0.577SS**SBendtrans-95.397.6167.5-123.1-83.3000109.2G45G45-H47 CarbonylContact O-C 3.45Å; G45-H47 PolarHBondContact O-N 2.85Å; G45-H47 VanDerWaalsContact O-N 3.09Å
48V61Low64.7Low70 Ų70108.9 Ų108.942%0.42457%0.568SS.*PPolyproline II helixtrans-72.2123.6168.5178.50000106.9V50 H52V48-V50 PolarHBondContact O-N 3.23Å; V48-H52 HydrophobicContact CG1-CB 3.16Å
49P65.6Low65.8Low57 Ų57104.3 Ų104.337%0.3755%0.548SS..PPolyproline II helixtrans-59.8140.8176.324.6-32.4000109.3G51 H52P49-G51 PolarHBondContact O-N 3.03Å; P49-H52 HydrophobicContact CG-CB 4.4Å; P49-H52 WeakPolarHBondContact O-CB 3.27Å; P49-H52 PolarHBondContact O-N 2.74Å
50V64.7Low66.9Low87 Ų87108 Ų10853%0.52756%0.558SS.*THydrogen-bonded Turntrans-54124.9178.3-173.30000108V48 I62 L66V48-V50 PolarHBondContact O-N 3.23Å; V50-I62 HydrophobicContact CB-CG2 4.13Å; V50-I62 HydrophobicContact CG1-CG2 3.83Å; V50-L66 HydrophobicContact CG2-CD2 4.16Å
51G64.9Low68Low23 Ų23105.9 Ų105.924%0.23755%0.547CS..THydrogen-bonded Turntrans86.518.7-176.800000116.4P49 N53 A54P49-G51 PolarHBondContact O-N 3.03Å; G51-N53 PolarHBondContact O-N 2.88Å; G51-N53 VanDerWaalsContact O-N 3.12Å; G51-A54 WeakPolarHBondContact O-CB 3.46Å; G51-A54 PolarHBondContact O-N 3.35Å
52H66.1Low69.2Low72 Ų7299.1 Ų99.133%0.33352%0.519SS..THydrogen-bonded Turntrans-54.3-30.2179.6-179.179.6000116.3V48 P49V48-H52 HydrophobicContact CG1-CB 3.16Å; P49-H52 HydrophobicContact CG-CB 4.4Å; P49-H52 WeakPolarHBondContact O-CB 3.27Å; P49-H52 PolarHBondContact O-N 2.74Å
53N69.6Low70.8Confident142 Ų14298.5 Ų98.576%0.75951%0.51SS*.THydrogen-bonded Turntrans-96.92.3176.2-62.8-30.4000112.9G51G51-N53 PolarHBondContact O-N 2.88Å; G51-N53 VanDerWaalsContact O-N 3.12Å
54A77.9Confident72.1Confident27 Ų2792.9 Ų92.922%0.22350%0.495CS..SBendtrans-75.6151.5178.500000110.7G51 L58 K59 I62G51-A54 WeakPolarHBondContact O-CB 3.46Å; G51-A54 PolarHBondContact O-N 3.35Å; A54-L58 HydrophobicContact CB-CB 4.14Å; A54-L58 HydrophobicContact CB-CD2 3.99Å; A54-L58 HydrophobicContact CB-CG 4.15Å; A54-K59 HydrophobicContact CB-CB 4.33Å; A54-I62 HydrophobicContact CB-CD1 4.39Å
55P79.8Confident73.5Confident89 Ų8992 Ų9258%0.57849%0.491SS*.  trans-49.2146.6165.1-23.432.4000110.5D57 L58 K59P55-D57 PolarHBondContact O-N 3.32Å; P55-D57 VanDerWaalsContact O-N 3.16Å; P55-L58 HydrophobicContact CB-CB 4.44Å; P55-L58 PolarHBondContact O-N 2.9Å; P55-K59 PolarHBondContact O-N 2.99Å
56K76.3Confident74.6Confident164 Ų16494.7 Ų94.771%0.71350%0.497SS*.Hα-helixtrans-51.2-44.9-174.6-67.3-179.4-177.7176.20112.4L58 K59 E60K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.95Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.28Å; K56-E60 WeakPolarHBondContact O-CG 3.29Å; K56-E60 PolarHBondContact O-N 3Å
57D78.1Confident75.8Confident130 Ų13090.4 Ų90.470%0.69547%0.47SS*.Hα-helixtrans-62.3-41.5-179.6-48.2-20.7000111.6P55 E61P55-D57 PolarHBondContact O-N 3.32Å; P55-D57 VanDerWaalsContact O-N 3.16Å; D57-E61 WeakPolarHBondContact O-CB 3.49Å; D57-E61 PolarHBondContact O-N 3.46Å
58L82.8Confident76.8Confident82 Ų8289.4 Ų89.443%0.42946%0.459SS..Hα-helixtrans-72-36.9177.9-17465.8000111.5A54 P55 K56 E61 I62A54-L58 HydrophobicContact CB-CB 4.14Å; A54-L58 HydrophobicContact CB-CD2 3.99Å; A54-L58 HydrophobicContact CB-CG 4.15Å; P55-L58 HydrophobicContact CB-CB 4.44Å; P55-L58 PolarHBondContact O-N 2.9Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.95Å; L58-E61 PolarHBondContact O-N 2.98Å; L58-I62 HydrophobicContact CG-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CB 3.35Å; L58-I62 WeakPolarHBondContact O-CD1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.86Å
59K81.9Confident77.7Confident75 Ų7590.2 Ų90.233%0.32646%0.464SS..Hα-helixtrans-63.1-46.8174.5-173.9-162.7167.4-1530110.7A54 P55 K56 E61 I62 D63A54-K59 HydrophobicContact CB-CB 4.33Å; P55-K59 PolarHBondContact O-N 2.99Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.28Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 3.43Å; K59-I62 PolarHBondContact O-N 2.94Å; K59-D63 PolarHBondContact O-N 2.93Å
60E81.6Confident78.3Confident117 Ų11795.6 Ų95.655%0.54748%0.484SS..Hα-helixtrans-59.9-42.5175.8-74.6175.1-163.100111K56 I62 D63 I64K56-E60 WeakPolarHBondContact O-CG 3.29Å; K56-E60 PolarHBondContact O-N 3Å; E60-I62 PolarHBondContact O-N 3.44Å; E60-D63 PolarHBondContact O-N 3.33Å; E60-I64 WeakPolarHBondContact O-CB 3.34Å; E60-I64 WeakPolarHBondContact O-CD1 3.48Å; E60-I64 WeakPolarHBondContact O-CG1 3.5Å; E60-I64 PolarHBondContact O-N 3.38Å
61E81.9Confident79Confident82 Ų8296 Ų9638%0.38348%0.483SS..Hα-helixtrans-63.6-41.2175.5-173.9175.1-171.400112.7D57 L58 K59 I64 R65D57-E61 WeakPolarHBondContact O-CB 3.49Å; D57-E61 PolarHBondContact O-N 3.46Å; L58-E61 PolarHBondContact O-N 2.98Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 3.43Å; E61-I64 PolarHBondContact O-N 3.38Å; E61-R65 HydrophobicContact CG-CG 4.42Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.48Å; E61-R65 IonicContact OE1-CZ 2.87Å; E61-R65 VanDerWaalsContact OE1-CZ 3.22Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.26Å; E61-R65 IonicContact OE1-NH2 3.47Å; E61-R65 PolarHBondContact OE1-NH2 2.98Å
62I82.5Confident79.7Confident44 Ų4499.6 Ų99.623%0.22650%0.496CS..Hα-helixtrans-60.9-47.7175.1-71.4163.1000110V50 A54 L58 K59 E60 I64 R65 L66V50-I62 HydrophobicContact CB-CG2 4.13Å; V50-I62 HydrophobicContact CG1-CG2 3.83Å; A54-I62 HydrophobicContact CB-CD1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CB 3.35Å; L58-I62 WeakPolarHBondContact O-CD1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.86Å; K59-I62 PolarHBondContact O-N 2.94Å; E60-I62 PolarHBondContact O-N 3.44Å; I62-I64 PolarHBondContact O-N 2.94Å; I62-R65 PolarHBondContact O-N 2.85Å; I62-L66 VanDerWaalsContact O-CB 3.3Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 3.32Å
63D84.2Confident80Confident64 Ų64104.2 Ų104.234%0.34252%0.516SS..Hα-helixtrans-62.9-40.7179.1-72.3-25.8000111.3K59 E60 L66 S67K59-D63 PolarHBondContact O-N 2.93Å; E60-D63 PolarHBondContact O-N 3.33Å; D63-L66 PolarHBondContact O-N 3.49Å; D63-S67 WeakPolarHBondContact O-CB 3.28Å; D63-S67 PolarHBondContact O-N 3.28Å; D63-S67 PolarHBondContact O-OG 3.15Å
64I84.1Confident80.2Confident92 Ų92104 Ų10447%0.47251%0.505SS..Hα-helixtrans-63.6-43.5174.3-69.5163.3000111.2E60 E61 I62 S67 R68E60-I64 WeakPolarHBondContact O-CB 3.34Å; E60-I64 WeakPolarHBondContact O-CD1 3.48Å; E60-I64 WeakPolarHBondContact O-CG1 3.5Å; E60-I64 PolarHBondContact O-N 3.38Å; E61-I64 PolarHBondContact O-N 3.38Å; I62-I64 PolarHBondContact O-N 2.94Å; I64-S67 WeakPolarHBondContact CA-OG 3.25Å; I64-S67 PolarHBondContact O-OG 2.93Å; I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 3.28Å; I64-R68 VanDerWaalsContact O-N 3.15Å
65R83Confident79.8Confident156 Ų156110.9 Ų110.959%0.58953%0.532SS*.Hα-helixtrans-68.4-38.6178.6-73.1174.4-179.8-142.26.2111.5E61 I62 R68 V69E61-R65 HydrophobicContact CG-CG 4.42Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.48Å; E61-R65 IonicContact OE1-CZ 2.87Å; E61-R65 VanDerWaalsContact OE1-CZ 3.22Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.26Å; E61-R65 IonicContact OE1-NH2 3.47Å; E61-R65 PolarHBondContact OE1-NH2 2.98Å; I62-R65 PolarHBondContact O-N 2.85Å; R65-R68 WeakPolarHBondContact O-CB 3.38Å; R65-R68 PolarHBondContact O-N 3.03Å; R65-V69 WeakPolarHBondContact O-CG2 3.45Å; R65-V69 PolarHBondContact O-N 3.43Å
66L83.8Confident79.3Confident92 Ų92112.4 Ų112.448%0.48254%0.542SS..Hα-helixtrans-69.9-38.7-179.7-155.273.6000111.8V50 I62 D63 R68 V69V50-L66 HydrophobicContact CG2-CD2 4.16Å; I62-L66 VanDerWaalsContact O-CB 3.3Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 3.32Å; D63-L66 PolarHBondContact O-N 3.49Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-V69 WeakPolarHBondContact O-CB 3.37Å; L66-V69 PolarHBondContact O-N 3.14Å
67S82.4Confident79Confident58 Ų58113.3 Ų113.341%0.40655%0.549SS..Hα-helixtrans-62.7-40.7172.150.90000111.9D63 I64 V69 Q70D63-S67 WeakPolarHBondContact O-CB 3.28Å; D63-S67 PolarHBondContact O-N 3.28Å; D63-S67 PolarHBondContact O-OG 3.15Å; I64-S67 WeakPolarHBondContact CA-OG 3.25Å; I64-S67 PolarHBondContact O-OG 2.93Å; S67-V69 PolarHBondContact O-N 3.31Å; S67-Q70 WeakPolarHBondContact O-CB 3.46Å; S67-Q70 PolarHBondContact O-N 3.26Å; S67-Q70 VanDerWaalsContact O-N 3.1Å
68R81.3Confident78.8Confident155 Ų155115.3 Ų115.359%0.58556%0.559SS**Hα-helixtrans-58.9-29.7174.4-76.9176.8173.5-164-2.9114I64 R65 L66 Q70 D71 I72I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 3.28Å; I64-R68 VanDerWaalsContact O-N 3.15Å; R65-R68 WeakPolarHBondContact O-CB 3.38Å; R65-R68 PolarHBondContact O-N 3.03Å; L66-R68 VanDerWaalsContact C-N 3.34Å; R68-Q70 PolarHBondContact O-N 2.92Å; R68-D71 PolarHBondContact O-N 3.35Å; R68-D71 VanDerWaalsContact O-N 3.07Å; R68-I72 WeakPolarHBondContact O-CG1 3.33Å; R68-I72 PolarHBondContact O-N 2.74Å
69V79.9Confident78.5Confident87 Ų87114.1 Ų114.153%0.52755%0.553SS.*Hα-helixtrans-60.3-33.4177.9176.70000111.4R65 L66 S67 D71 I72R65-V69 WeakPolarHBondContact O-CG2 3.45Å; R65-V69 PolarHBondContact O-N 3.43Å; L66-V69 WeakPolarHBondContact O-CB 3.37Å; L66-V69 PolarHBondContact O-N 3.14Å; S67-V69 PolarHBondContact O-N 3.31Å; V69-D71 PolarHBondContact O-N 3.08Å; V69-I72 PolarHBondContact O-N 3.35Å
70Q77.1Confident78.3Confident170 Ų170113.8 Ų113.879%0.79456%0.564SS**Hα-helixtrans-65.6-26.2178.1-59.5-176.8-200112.6S67 R68S67-Q70 WeakPolarHBondContact O-CB 3.46Å; S67-Q70 PolarHBondContact O-N 3.26Å; S67-Q70 VanDerWaalsContact O-N 3.1Å; R68-Q70 PolarHBondContact O-N 2.92Å
71D79.6Confident78Confident94 Ų94115.2 Ų115.250%0.50358%0.575SS.*Hα-helixtrans-87.2-11.2-179.4-62.6-34.9000112.8R68 V69 K73 T150R68-D71 PolarHBondContact O-N 3.35Å; R68-D71 VanDerWaalsContact O-N 3.07Å; V69-D71 PolarHBondContact O-N 3.08Å; D71-K73 PolarHBondContact O-N 3.15Å; D71-K73 VanDerWaalsContact O-N 3.11Å; D71-T150 HydrophobicContact CB-CG2 3.78Å; D71-T150 WeakPolarHBondContact O-CB 3.43Å
72I79.3Confident77.8Confident99 Ų99118.6 Ų118.651%0.50860%0.596SS.*  trans-73.2105.5-179.5-59.2175000109R68 V69 Y74R68-I72 WeakPolarHBondContact O-CG1 3.33Å; R68-I72 PolarHBondContact O-N 2.74Å; V69-I72 PolarHBondContact O-N 3.35Å; I72-Y74 WeakPolarHBondContact CG2-O 3.46Å
73K73.7Confident77.5Confident170 Ų170118.9 Ų118.974%0.73960%0.598SS**  trans-91.4-17.7178.6-68-179.1-179-179.40114.1D71D71-K73 PolarHBondContact O-N 3.15Å; D71-K73 VanDerWaalsContact O-N 3.11Å
74Y72.9Confident77.1Confident137 Ų137119.2 Ų119.254%0.53761%0.61SS.*  trans-126.8126.2-171.4-63.7-78000110.7I72 V152I72-Y74 WeakPolarHBondContact CG2-O 3.46Å; Y74-V152 HydrophobicContact CE1-CG2 4.42Å; Y74-V152 HydrophobicContact CE2-CB 4.38Å; Y74-V152 HydrophobicContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CZ-CG2 3.42Å; Y74-V152 WeakPolarHBondContact OH-CG2 3.3Å
75E68.8Low76.5Confident171 Ų171122.2 Ų122.280%0.79962%0.615SS**  trans-86.4137.2175.8-168.1175.5178.600110.2Q77E75-Q77 PolarHBondContact O-N 2.94Å; E75-Q77 VanDerWaalsContact O-N 3.15Å
76P70.3Confident75.9Confident121 Ų121117.8 Ų117.879%0.78660%0.602SS**  trans-64.2115.517425.8-33.6000110.3
77Q69.1Low75.2Confident184 Ų184117.7 Ų117.786%0.8660%0.602SS**PPolyproline II helixtrans-82.1129.3172.1-67.9-178.5-13.400109.8E75 L79E75-Q77 PolarHBondContact O-N 2.94Å; E75-Q77 VanDerWaalsContact O-N 3.15Å; Q77-L79 PolarHBondContact O-N 2.87Å
78L73.9Confident74.4Confident172 Ų172121 Ų12190%0.90161%0.611SS**PPolyproline II helixtrans-68.2129.6171.4-170.865.9000108.7
79L77.1Confident73.6Confident57 Ų57119.8 Ų119.830%0.29862%0.616SS.*PPolyproline II helixtrans-65.7138.7174.1-64.6159.9000108.6Q77 D83 L86Q77-L79 PolarHBondContact O-N 2.87Å; L79-D83 HydrophobicContact CB-CB 4.37Å; L79-D83 WeakPolarHBondContact CD2-OD2 3.42Å; L79-L86 HydrophobicContact CB-CD1 4.22Å; L79-L86 HydrophobicContact CB-CD2 4.41Å; L79-L86 HydrophobicContact CB-CG 4.22Å; L79-L86 HydrophobicContact CD1-CD2 4.03Å; L79-L86 HydrophobicContact CD1-CG 4.43Å
80A78.5Confident72.6Confident67 Ų67122.6 Ų122.655%0.55462%0.623SS**PPolyproline II helixtrans-67.4150.9173.300000110.3D82 D83 L86A80-D82 PolarHBondContact O-N 3.47Å; A80-D82 VanDerWaalsContact O-N 3.15Å; A80-D83 WeakPolarHBondContact O-CB 3.3Å; A80-D83 PolarHBondContact O-N 3.47Å; A80-L86 WeakPolarHBondContact O-CD1 3.17Å
81D74.3Confident71.8Confident148 Ų148119.5 Ų119.579%0.79162%0.616SS**THydrogen-bonded Turntrans-58.7-30.5-175.9-64.8-38.2000113D83D81-D83 VanDerWaalsContact C-N 3.35Å
82D77.5Confident70.5Confident153 Ų153121.1 Ų121.182%0.81862%0.62SS**THydrogen-bonded Turntrans-88.86.5178.6-63.5-36.4000114A80 A84A80-D82 PolarHBondContact O-N 3.47Å; A80-D82 VanDerWaalsContact O-N 3.15Å; D82-A84 PolarHBondContact O-N 2.94Å
83D77.4Confident69.1Low50 Ų50118.5 Ų118.527%0.26762%0.618SS.*  trans-65.9128.9-177.3-165.5-40.5000110.6L79 A80 D81 R85 L86 L87L79-D83 HydrophobicContact CB-CB 4.37Å; L79-D83 WeakPolarHBondContact CD2-OD2 3.42Å; A80-D83 WeakPolarHBondContact O-CB 3.3Å; A80-D83 PolarHBondContact O-N 3.47Å; D81-D83 VanDerWaalsContact C-N 3.35Å; D83-R85 PolarHBondContact O-N 3.33Å; D83-R85 WeakPolarHBondContact OD1-CB 3.4Å; D83-R85 WeakPolarHBondContact OD1-CG 3.26Å; D83-R85 PolarHBondContact OD1-N 2.87Å; D83-L86 HydrophobicContact CB-CG 4.5Å; D83-L86 WeakPolarHBondContact O-CB 3.47Å; D83-L86 PolarHBondContact O-N 2.93Å; D83-L87 PolarHBondContact O-N 2.88Å
84A76Confident67.7Low71 Ų71117.5 Ų117.559%0.58762%0.621SS**Hα-helixtrans-53-26.5177.400000113D82 L87 Q88D82-A84 PolarHBondContact O-N 2.94Å; A84-L87 PolarHBondContact O-N 3.27Å; A84-Q88 WeakPolarHBondContact O-CB 3.47Å; A84-Q88 PolarHBondContact O-N 3.42Å
85R71.8Confident66.5Low155 Ų155119.4 Ų119.459%0.58563%0.634SS**Hα-helixtrans-67-35.8174.8-64.517764.2-178.70.1112.9D83 L89D83-R85 PolarHBondContact O-N 3.33Å; D83-R85 WeakPolarHBondContact OD1-CB 3.4Å; D83-R85 WeakPolarHBondContact OD1-CG 3.26Å; D83-R85 PolarHBondContact OD1-N 2.87Å; R85-L89 WeakPolarHBondContact O-CD1 3.43Å; R85-L89 PolarHBondContact O-N 3.36Å
86L69.3Low65.4Low62 Ų62118.6 Ų118.633%0.32563%0.628SS.*Hα-helixtrans-71.3-42.7175-66.8-180000110.6L79 A80 D83 Q88 L89 E90L79-L86 HydrophobicContact CB-CD1 4.22Å; L79-L86 HydrophobicContact CB-CD2 4.41Å; L79-L86 HydrophobicContact CB-CG 4.22Å; L79-L86 HydrophobicContact CD1-CD2 4.03Å; L79-L86 HydrophobicContact CD1-CG 4.43Å; A80-L86 WeakPolarHBondContact O-CD1 3.17Å; D83-L86 HydrophobicContact CB-CG 4.5Å; D83-L86 WeakPolarHBondContact O-CB 3.47Å; D83-L86 PolarHBondContact O-N 2.93Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.38Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 3.09Å; L86-L89 VanDerWaalsContact O-N 3.14Å; L86-E90 PolarHBondContact O-N 3.39Å
87L69.4Low64.1Low91 Ų91117.6 Ų117.648%0.47662%0.616SS.*Hα-helixtrans-61.1-37.2176.2-62.4176.8000112.5D83 A84 E90 T91D83-L87 PolarHBondContact O-N 2.88Å; A84-L87 PolarHBondContact O-N 3.27Å; L87-E90 PolarHBondContact O-N 3.42Å; L87-T91 WeakPolarHBondContact O-CB 3.46Å; L87-T91 PolarHBondContact O-N 3.46Å; L87-T91 PolarHBondContact O-OG1 2.99Å
88Q65.9Low62.7Low128 Ų128114.9 Ų114.960%0.59861%0.614SS**Hα-helixtrans-68.8-36.3176.6-165.117229.800112.2A84 L86 Q92A84-Q88 WeakPolarHBondContact O-CB 3.47Å; A84-Q88 PolarHBondContact O-N 3.42Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.38Å; Q88-Q92 VanDerWaalsContact O-CB 3.22Å; Q88-Q92 WeakPolarHBondContact O-CB 3.34Å; Q88-Q92 PolarHBondContact O-N 3.42Å
89L63Low61.1Low129 Ų129113.1 Ų113.168%0.67560%0.599SS**Hα-helixtrans-63.8-43.1172.6-101.195.5000111.7R85 L86 Q92 G93R85-L89 WeakPolarHBondContact O-CD1 3.43Å; R85-L89 PolarHBondContact O-N 3.36Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 3.09Å; L86-L89 VanDerWaalsContact O-N 3.14Å; L89-Q92 PolarHBondContact O-N 3.47Å; L89-G93 PolarHBondContact O-N 2.83Å
90E60.6Low59.2Low146 Ų146118.9 Ų118.968%0.68262%0.624SS**Hα-helixtrans-64.2-44.6178.1-166.7179.2-175.200111.2L86 L87 Q92 G93L86-E90 PolarHBondContact O-N 3.39Å; L87-E90 PolarHBondContact O-N 3.42Å; E90-Q92 PolarHBondContact O-N 3.23Å; E90-G93 PolarHBondContact O-N 2.87Å
91T59.2Low57.6Low105 Ų105120.4 Ų120.464%0.64463%0.63SS**Hα-helixtrans-64-42.5177.5-55.80000112.2L87L87-T91 WeakPolarHBondContact O-CB 3.46Å; L87-T91 PolarHBondContact O-N 3.46Å; L87-T91 PolarHBondContact O-OG1 2.99Å
92Q53.5Low55.7Low127 Ų127122 Ų12259%0.59363%0.633SS**Hα-helixtrans-79.2-27.3-178.5-167.8171.1-600112.9Q88 L89 E90 N94 Q95 K96Q88-Q92 VanDerWaalsContact O-CB 3.22Å; Q88-Q92 WeakPolarHBondContact O-CB 3.34Å; Q88-Q92 PolarHBondContact O-N 3.42Å; L89-Q92 PolarHBondContact O-N 3.47Å; E90-Q92 PolarHBondContact O-N 3.23Å; Q92-N94 PolarHBondContact O-N 2.82Å; Q92-Q95 PolarHBondContact O-N 2.76Å; Q92-K96 PolarHBondContact O-N 3.47Å
93G49Very low53.9Low45 Ų45118.6 Ų118.646%0.46463%0.634SS.*Hα-helixtrans-58.3-30.4171.400000112.4L89 E90 Q95L89-G93 PolarHBondContact O-N 2.83Å; E90-G93 PolarHBondContact O-N 2.87Å; G93-Q95 PolarHBondContact O-N 3.05Å
94N45.3Very low52.2Low148 Ų148126.8 Ų126.879%0.79166%0.661SS**Hα-helixtrans-78.9-12.2-178.2-134.418.3000114.7Q92Q92-N94 PolarHBondContact O-N 2.82Å
95Q47.5Very low50.4Low177 Ų177129.7 Ų129.783%0.82766%0.663SS**Hα-helixtrans-128.43.7-175.5-70.9-150.96.700116.9Q92 G93Q92-Q95 PolarHBondContact O-N 2.76Å; G93-Q95 PolarHBondContact O-N 3.05Å
96K44.5Very low48.9Very low154 Ų154128.4 Ų128.467%0.6767%0.674SS**Hα-helixtrans-153.43.1-178.9-127.1164.2-168.7156.10121.9Q92Q92-K96 PolarHBondContact O-N 3.47Å
97I43.2Very low47.8Very low101 Ų101136 Ų13652%0.51870%0.698SS.*  trans-141.8118.6172.3-46.2170.2000107.8F99I97-F99 HydrophobicContact CB-CD2 3.63Å; I97-F99 HydrophobicContact CB-CE2 3.51Å; I97-F99 HydrophobicContact CB-CZ 4.49Å; I97-F99 HydrophobicContact CD1-CE2 3.78Å; I97-F99 HydrophobicContact CG1-CE2 4.23Å; I97-F99 HydrophobicContact CG2-CD2 3.54Å; I97-F99 HydrophobicContact CG2-CE1 4.49Å; I97-F99 HydrophobicContact CG2-CE2 3.2Å; I97-F99 HydrophobicContact CG2-CG 4.34Å; I97-F99 HydrophobicContact CG2-CZ 3.73Å; I97-F99 PolarHBondContact O-N 3.18Å
98P39.6Very low46.5Very low127 Ų127136.4 Ų136.483%0.82571%0.709SS**  trans-66.483.4174.9-13.727.3000109.6H100P98-H100 PolarHBondContact O-N 3.07Å
99F41Very low45.4Very low134 Ų134136.4 Ų136.459%0.58871%0.712SS**  trans-95.280.7165-74-70.4000107I97 S101 L109I97-F99 HydrophobicContact CB-CD2 3.63Å; I97-F99 HydrophobicContact CB-CE2 3.51Å; I97-F99 HydrophobicContact CB-CZ 4.49Å; I97-F99 HydrophobicContact CD1-CE2 3.78Å; I97-F99 HydrophobicContact CG1-CE2 4.23Å; I97-F99 HydrophobicContact CG2-CD2 3.54Å; I97-F99 HydrophobicContact CG2-CE1 4.49Å; I97-F99 HydrophobicContact CG2-CE2 3.2Å; I97-F99 HydrophobicContact CG2-CG 4.34Å; I97-F99 HydrophobicContact CG2-CZ 3.73Å; I97-F99 PolarHBondContact O-N 3.18Å; F99-S101 PolarHBondContact O-N 2.65Å; F99-L109 HydrophobicContact CD1-CD1 4.09Å; F99-L109 HydrophobicContact CE1-CD1 4.29Å
100H37.6Very low44.5Very low179 Ų179135.1 Ų135.183%0.82970%0.704SS**  trans-73.4118.6162.9-106.9-66.9000108.6P98 E102P98-H100 PolarHBondContact O-N 3.07Å; H100-E102 PolarHBondContact O-N 2.76Å
101S45Very low43.7Very low98 Ų98132 Ų13269%0.68571%0.711SS**  trans-65.3112.2172.249.90000111F99F99-S101 PolarHBondContact O-N 2.65Å
102E33.3Very low43.5Very low183 Ų183132.9 Ų132.986%0.85571%0.706SS**  trans-133.8126.4152.9-79.5-61.4159.200107.8H100 R104H100-E102 PolarHBondContact O-N 2.76Å; E102-R104 PolarHBondContact O-N 2.76Å; E102-R104 VanDerWaalsContact O-N 3.15Å
103G40.9Very low44.1Very low81 Ų81131.2 Ų131.284%0.83570%0.702SS**SBendtrans-63.9113.1-165.800000112.5
104R41.5Very low45.2Very low221 Ų221131.3 Ų131.383%0.83469%0.689SS**SBendtrans171.497.2143-178.9168.6-95.1172.2-7.9107.9E102E102-R104 PolarHBondContact O-N 2.76Å; E102-R104 VanDerWaalsContact O-N 3.15Å
105H38Very low46.7Very low133 Ų133128.4 Ų128.462%0.61667%0.667SS**  trans54.1101.8171.8-50.7-60.1000116.6R107H105-R107 PolarHBondContact O-N 2.98Å
106P39.8Very low48.1Very low127 Ų127121.7 Ų121.783%0.82564%0.64SS**G310 helixtrans-73.824.2179.831.4-34.8000114.7S108P106-S108 VanDerWaalsContact C-N 3.32Å; P106-S108 PolarHBondContact O-N 2.74Å
107R45.7Very low49.6Very low221 Ų221120 Ų12083%0.83463%0.63SS**G310 helixtrans-81.6-5.9179.7-77.7-172-78.3-167.9-4.3114.1H105H105-R107 PolarHBondContact O-N 2.98Å
108S41.6Very low51.2Low101 Ų101115.2 Ų115.271%0.70661%0.605SS**G310 helixtrans-108.73.1-168.9-1630000116.3P106P106-S108 VanDerWaalsContact C-N 3.32Å; P106-S108 PolarHBondContact O-N 2.74Å
109L43Very low53Low127 Ų127111.1 Ų111.167%0.66558%0.577SS**SBendtrans-91.28178.3-68.6177.8000114.6F99F99-L109 HydrophobicContact CD1-CD1 4.09Å; F99-L109 HydrophobicContact CE1-CD1 4.29Å
110M44.3Very low54.7Low102 Ų102107.8 Ų107.850%0.50257%0.565SS.*  trans-111.178.7154-101.4-173-35.900107.6K112 F114M110-K112 VanDerWaalsContact CB-O 3.25Å; M110-K112 WeakPolarHBondContact CB-O 2.89Å; M110-K112 VanDerWaalsContact CG-O 3.28Å; M110-K112 WeakPolarHBondContact CG-O 3.42Å; M110-K112 CarbonylContact O-C 3.37Å; M110-K112 PolarHBondContact O-N 2.71Å; M110-F114 HydrophobicContact CE-CB 4.2Å; M110-F114 HydrophobicContact SD-CB 3.78Å; M110-F114 PolarHBondContact SD-N 3.37Å
111G44.7Very low56.5Low81 Ų81101.3 Ų101.384%0.83554%0.536SS*.SBendtrans-54.8-13.2167.800000112.7
112K54.4Low57.8Low123 Ų123101.1 Ų101.154%0.53552%0.52SS..SBendtrans-129.4116.9165.7-69.7-176.2179.8-173.10107.3M110 S116 D120M110-K112 VanDerWaalsContact CB-O 3.25Å; M110-K112 WeakPolarHBondContact CB-O 2.89Å; M110-K112 VanDerWaalsContact CG-O 3.28Å; M110-K112 WeakPolarHBondContact CG-O 3.42Å; M110-K112 CarbonylContact O-C 3.37Å; M110-K112 PolarHBondContact O-N 2.71Å; K112-S116 VanDerWaalsContact C-OG 3.25Å; K112-S116 VanDerWaalsContact CA-OG 3.31Å; K112-S116 WeakPolarHBondContact CA-OG 3.23Å; K112-S116 VanDerWaalsContact CB-OG 3.23Å; K112-S116 WeakPolarHBondContact CB-OG 3.46Å; K112-D120 IonicContact NZ-OD2 3.16Å; K112-D120 PolarHBondContact NZ-OD2 3.14Å; K112-D120 VanDerWaalsContact NZ-OD2 3.16Å
113N66.9Low59.7Low93 Ų9397.3 Ų97.350%0.49751%0.506SS..  trans-52.9144.1173.455.223.4000109.7R115 S116 Y117N113-R115 CarbonylContact O-C 3.51Å; N113-R115 PolarHBondContact O-N 2.92Å; N113-S116 PolarHBondContact N-OG 2.92Å; N113-S116 VanDerWaalsContact N-OG 3.1Å; N113-S116 WeakPolarHBondContact O-CA 3.49Å; N113-S116 PolarHBondContact O-N 2.88Å; N113-S116 PolarHBondContact O-OG 3.09Å; N113-S116 WeakPolarHBondContact OD1-CA 3.38Å; N113-S116 WeakPolarHBondContact OD1-CB 3.45Å; N113-S116 PolarHBondContact OD1-N 3.33Å; N113-S116 PolarHBondContact OD1-OG 2.94Å; N113-Y117 PolarHBondContact O-N 3.28Å; N113-Y117 VanDerWaalsContact O-N 3.09Å
114F72.2Confident60.9Low47 Ų4796.6 Ų96.621%0.20649%0.485CS..Hα-helixtrans-48.6-36.8-176.7177.8-110.1000112.6M110 Y117 L118 Y143 L165M110-F114 HydrophobicContact CE-CB 4.2Å; M110-F114 HydrophobicContact SD-CB 3.78Å; M110-F114 PolarHBondContact SD-N 3.37Å; F114-Y117 WeakPolarHBondContact O-CB 3.48Å; F114-Y117 PolarHBondContact O-N 3.08Å; F114-L118 HydrophobicContact CD1-CD1 3.97Å; F114-L118 HydrophobicContact CD1-CG 4.39Å; F114-L118 HydrophobicContact CE1-CD1 3.43Å; F114-L118 VanDerWaalsContact CE1-CD1 3.43Å; F114-L118 HydrophobicContact CE1-CG 4.04Å; F114-L118 HydrophobicContact CE2-CD2 4.37Å; F114-L118 HydrophobicContact CE2-CG 4.33Å; F114-L118 HydrophobicContact CZ-CD1 3.77Å; F114-L118 HydrophobicContact CZ-CD2 4.09Å; F114-L118 HydrophobicContact CZ-CG 4Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 3.2Å; F114-Y143 HydrophobicContact CB-CE2 4.29Å; F114-Y143 HydrophobicContact CD1-CD1 4.45Å; F114-Y143 AromaticContact CD1-CD2 3.51Å; F114-Y143 HydrophobicContact CD1-CD2 3.51Å; F114-Y143 AromaticContact CD1-CE2 3.58Å; F114-Y143 HydrophobicContact CD1-CE2 3.58Å; F114-Y143 AromaticContact CD1-CG 3.96Å; F114-Y143 HydrophobicContact CD1-CG 3.96Å; F114-Y143 AromaticContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CE2 4.35Å; F114-Y143 HydrophobicContact CE1-CG 4.25Å; F114-Y143 HydrophobicContact CG-CE2 4.31Å; F114-L165 HydrophobicContact CZ-CD2 4.24Å
115R76.6Confident61.5Low87 Ų8791.8 Ų91.833%0.32849%0.486SS..Hα-helixtrans-53.2-53.6168.6173.1167-169.2139.516.8113.7N113 Y117 L118 L119 L140 Y143 E144N113-R115 CarbonylContact O-C 3.51Å; N113-R115 PolarHBondContact O-N 2.92Å; R115-Y117 VanDerWaalsContact C-N 3.29Å; R115-Y117 PolarHBondContact O-N 3.34Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-L119 HydrophobicContact CG-CD1 3.87Å; R115-L119 HydrophobicContact CG-CG 4.47Å; R115-L119 WeakPolarHBondContact O-CB 3.27Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.45Å; R115-L119 PolarHBondContact O-N 3.43Å; R115-L140 HydrophobicContact CB-CD1 4.21Å; R115-L140 HydrophobicContact CG-CD1 3.74Å; R115-Y143 HydrophobicContact CB-CE1 4.49Å; R115-E144 VanDerWaalsContact CZ-CD 3.47Å; R115-E144 IonicContact CZ-OE1 3.07Å; R115-E144 IonicContact CZ-OE2 2.76Å; R115-E144 IonicContact NE-OE1 2.65Å; R115-E144 IonicContact NH1-OE1 3.59Å; R115-E144 PolarHBondContact NH1-OE1 3.26Å; R115-E144 IonicContact NH1-OE2 3.78Å; R115-E144 PolarHBondContact NH1-OE2 3.13Å; R115-E144 IonicContact NH2-OE1 3.22Å; R115-E144 PolarHBondContact NH2-OE1 2.82Å; R115-E144 IonicContact NH2-OE2 2.89Å; R115-E144 PolarHBondContact NH2-OE2 2.96Å
116S76.4Confident62.4Low35 Ų3587.9 Ų87.925%0.24547%0.471CS..Hα-helixtrans-63.1-35.2177.362.20000112.1K112 N113 L119 D120K112-S116 VanDerWaalsContact C-OG 3.25Å; K112-S116 VanDerWaalsContact CA-OG 3.31Å; K112-S116 WeakPolarHBondContact CA-OG 3.23Å; K112-S116 VanDerWaalsContact CB-OG 3.23Å; K112-S116 WeakPolarHBondContact CB-OG 3.46Å; N113-S116 PolarHBondContact N-OG 2.92Å; N113-S116 VanDerWaalsContact N-OG 3.1Å; N113-S116 WeakPolarHBondContact O-CA 3.49Å; N113-S116 PolarHBondContact O-N 2.88Å; N113-S116 PolarHBondContact O-OG 3.09Å; N113-S116 WeakPolarHBondContact OD1-CA 3.38Å; N113-S116 WeakPolarHBondContact OD1-CB 3.45Å; N113-S116 PolarHBondContact OD1-N 3.33Å; N113-S116 PolarHBondContact OD1-OG 2.94Å; S116-L119 PolarHBondContact O-N 3.14Å; S116-D120 WeakPolarHBondContact O-CB 3.31Å; S116-D120 PolarHBondContact O-N 2.9Å
117Y75.3Confident62.9Low118 Ų11888 Ų8846%0.46347%0.472SS..Hα-helixtrans-63.1-46.4173.8173.7-99.1000111.7N113 F114 R115 D120 L121N113-Y117 PolarHBondContact O-N 3.28Å; N113-Y117 VanDerWaalsContact O-N 3.09Å; F114-Y117 WeakPolarHBondContact O-CB 3.48Å; F114-Y117 PolarHBondContact O-N 3.08Å; R115-Y117 VanDerWaalsContact C-N 3.29Å; R115-Y117 PolarHBondContact O-N 3.34Å; Y117-D120 PolarHBondContact O-N 3.1Å; Y117-L121 WeakPolarHBondContact O-CB 3.47Å; Y117-L121 PolarHBondContact O-N 3.46Å
118L76.7Confident63.4Low1 Ų182.1 Ų82.11%0.00545%0.453CS..Hα-helixtrans-62.5-42175.1-71.3-176.3000112F114 R115 L121 R122 I136 L139 L168F114-L118 HydrophobicContact CD1-CD1 3.97Å; F114-L118 HydrophobicContact CD1-CG 4.39Å; F114-L118 HydrophobicContact CE1-CD1 3.43Å; F114-L118 VanDerWaalsContact CE1-CD1 3.43Å; F114-L118 HydrophobicContact CE1-CG 4.04Å; F114-L118 HydrophobicContact CE2-CD2 4.37Å; F114-L118 HydrophobicContact CE2-CG 4.33Å; F114-L118 HydrophobicContact CZ-CD1 3.77Å; F114-L118 HydrophobicContact CZ-CD2 4.09Å; F114-L118 HydrophobicContact CZ-CG 4Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 3.2Å; R115-L118 PolarHBondContact O-N 3.47Å; L118-L121 WeakPolarHBondContact O-CB 3.35Å; L118-L121 PolarHBondContact O-N 3.32Å; L118-R122 PolarHBondContact O-N 3.49Å; L118-I136 HydrophobicContact CB-CG2 4.1Å; L118-I136 WeakPolarHBondContact O-CG2 3.48Å; L118-L139 HydrophobicContact CD1-CB 4.14Å; L118-L168 HydrophobicContact CD2-CD2 4.17Å
119L78.6Confident64Low42 Ų4287.6 Ų87.622%0.2246%0.464CS..Hα-helixtrans-65.9-39.5176.9-71.5171.4000112.4R115 S116 L121 R122 N123 L140R115-L119 HydrophobicContact CG-CD1 3.87Å; R115-L119 HydrophobicContact CG-CG 4.47Å; R115-L119 WeakPolarHBondContact O-CB 3.27Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.45Å; R115-L119 PolarHBondContact O-N 3.43Å; S116-L119 PolarHBondContact O-N 3.14Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-R122 WeakPolarHBondContact O-CB 3.15Å; L119-R122 PolarHBondContact O-N 3.03Å; L119-N123 WeakPolarHBondContact O-CB 3.32Å; L119-N123 PolarHBondContact O-N 3.2Å; L119-N123 PolarHBondContact O-ND2 3.04Å; L119-N123 VanDerWaalsContact O-ND2 3.13Å; L119-L140 HydrophobicContact CD2-CD2 3.78Å; L119-L140 HydrophobicContact CG-CD2 4.34Å
120D76.3Confident64.7Low64 Ų6483.5 Ų83.534%0.34245%0.453SS..Hα-helixtrans-63.2-42.5174-162.715.6000110K112 S116 Y117 R122 N123 T124K112-D120 IonicContact NZ-OD2 3.16Å; K112-D120 PolarHBondContact NZ-OD2 3.14Å; K112-D120 VanDerWaalsContact NZ-OD2 3.16Å; S116-D120 WeakPolarHBondContact O-CB 3.31Å; S116-D120 PolarHBondContact O-N 2.9Å; Y117-D120 PolarHBondContact O-N 3.1Å; D120-R122 VanDerWaalsContact C-N 3.3Å; D120-R122 PolarHBondContact O-N 3.34Å; D120-N123 PolarHBondContact O-N 3.25Å; D120-T124 WeakPolarHBondContact O-CB 3.45Å; D120-T124 VanDerWaalsContact O-CG2 3.24Å; D120-T124 WeakPolarHBondContact O-CG2 3.38Å; D120-T124 PolarHBondContact O-N 3.32Å; D120-T124 PolarHBondContact O-OG1 3.27Å
121L74.2Confident65.5Low43 Ų4384.1 Ų84.123%0.22546%0.462CS..Hα-helixtrans-64-34.5174.9-168.365.6000112.8Y117 L118 L119 T124 I136 L168Y117-L121 WeakPolarHBondContact O-CB 3.47Å; Y117-L121 PolarHBondContact O-N 3.46Å; L118-L121 WeakPolarHBondContact O-CB 3.35Å; L118-L121 PolarHBondContact O-N 3.32Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L121-T124 WeakPolarHBondContact CA-OG1 3.43Å; L121-T124 PolarHBondContact O-OG1 3.17Å; L121-I136 HydrophobicContact CB-CD1 4.17Å; L121-I136 HydrophobicContact CD2-CD1 3.92Å; L121-I136 HydrophobicContact CD2-CG1 4.37Å; L121-I136 HydrophobicContact CG-CD1 3.82Å; L121-L168 HydrophobicContact CD2-CD1 4.03Å; L121-L168 HydrophobicContact CD2-CD2 4.25Å
122R74.1Confident66.8Low93 Ų9381.9 Ų81.935%0.35143%0.428SS..Hα-helixtrans-67.7-40.5174.2-167.2-169.570.1-173.40.1111.9L118 L119 D120 K133 I136 D137L118-R122 PolarHBondContact O-N 3.49Å; L119-R122 WeakPolarHBondContact O-CB 3.15Å; L119-R122 PolarHBondContact O-N 3.03Å; D120-R122 VanDerWaalsContact C-N 3.3Å; D120-R122 PolarHBondContact O-N 3.34Å; R122-K133 HydrophobicContact CG-CG 4.01Å; R122-I136 HydrophobicContact CB-CD1 4.45Å; R122-I136 HydrophobicContact CB-CG2 4.02Å; R122-I136 HydrophobicContact CG-CG2 4.49Å; R122-D137 VanDerWaalsContact CD-OD1 3.32Å; R122-D137 WeakPolarHBondContact CD-OD1 3.49Å; R122-D137 IonicContact NH1-OD1 3.82Å
123N73.3Confident68Low103 Ų10381.3 Ų81.355%0.55143%0.426SS*.Hα-helixtrans-86.3-23.4-173.2-63-21.6000112.7L119 D120 S125L119-N123 WeakPolarHBondContact O-CB 3.32Å; L119-N123 PolarHBondContact O-N 3.2Å; L119-N123 PolarHBondContact O-ND2 3.04Å; L119-N123 VanDerWaalsContact O-ND2 3.13Å; D120-N123 PolarHBondContact O-N 3.25Å; N123-S125 PolarHBondContact O-N 3.4Å
124T65.5Low68.7Low66 Ų6679.7 Ų79.741%0.40543%0.425SS..SBendtrans-73.995.617548.40000110.1D120 L121 T126D120-T124 WeakPolarHBondContact O-CB 3.45Å; D120-T124 VanDerWaalsContact O-CG2 3.24Å; D120-T124 WeakPolarHBondContact O-CG2 3.38Å; D120-T124 PolarHBondContact O-N 3.32Å; D120-T124 PolarHBondContact O-OG1 3.27Å; L121-T124 WeakPolarHBondContact CA-OG1 3.43Å; L121-T124 PolarHBondContact O-OG1 3.17Å; T124-T126 VanDerWaalsContact C-N 3.29Å; T124-T126 PolarHBondContact O-N 3.45Å
125S54.1Low69.3Low121 Ų12178.1 Ų78.185%0.84642%0.419SS*.  trans-67.579.918064.60000112.2N123N123-S125 PolarHBondContact O-N 3.4Å
126T56.8Low69.7Low50 Ų5074.3 Ų74.331%0.30741%0.405SS..  trans-78.4161.1153.959.50000108.4T124 F128 R132T124-T126 VanDerWaalsContact C-N 3.29Å; T124-T126 PolarHBondContact O-N 3.45Å; T126-F128 PolarHBondContact O-N 3.25Å; T126-F128 WeakPolarHBondContact OG1-CD2 3.18Å; T126-R132 PolarHBondContact OG1-NH2 3.2Å
127P50.3Low70.2Confident129 Ų12975 Ų7584%0.83841%0.406SS*.SBendtrans-72.336.3-171.931.1-36000114K129P127-K129 PolarHBondContact O-N 3.28Å
128F55.2Low70.8Confident99 Ų9973 Ų7343%0.43441%0.406SS..  trans-104.153.7179.9-75.8-99000110.3T126 G130 R132T126-F128 PolarHBondContact O-N 3.25Å; T126-F128 WeakPolarHBondContact OG1-CD2 3.18Å; F128-G130 VanDerWaalsContact C-N 3.31Å; F128-G130 PolarHBondContact O-N 3.01Å; F128-R132 HydrophobicContact CD1-CG 4.42Å; F128-R132 VanDerWaalsContact CE1-NH1 3.29Å; F128-R132 VanDerWaalsContact CG-NE 3.34Å; F128-R132 VanDerWaalsContact CZ-NH2 3.32Å
129K55.1Low71.3Confident215 Ų21573 Ų7394%0.93541%0.406SS*.  trans-77.473.2-165.3-157.3178.3-175.3-175.30110.6P127P127-K129 PolarHBondContact O-N 3.28Å
130G58.5Low71.7Confident42 Ų4271.6 Ų71.643%0.43340%0.399SS..SBendtrans156-75.3168.900000115.1F128 R132 K133F128-G130 VanDerWaalsContact C-N 3.31Å; F128-G130 PolarHBondContact O-N 3.01Å; G130-R132 VanDerWaalsContact C-N 3.34Å; G130-R132 PolarHBondContact O-N 3.1Å; G130-K133 PolarHBondContact O-N 2.95Å; G130-K133 VanDerWaalsContact O-N 3.11Å
131V61.5Low72.2Confident114 Ų11473.5 Ų73.569%0.69141%0.409SS*.Hα-helixtrans-58.4-41.5-168.5-178.90000112.6K133 L135V131-K133 VanDerWaalsContact C-N 3.34Å; V131-K133 PolarHBondContact O-N 2.84Å; V131-L135 PolarHBondContact O-N 2.85Å
132R71.8Confident72.8Confident34 Ų3472 Ų7213%0.12840%0.403CS..Hα-helixtrans-75.5-19.5-177.9-62.3-157.5-66.9-162.16.5114.3T126 F128 G130 I136T126-R132 PolarHBondContact OG1-NH2 3.2Å; F128-R132 HydrophobicContact CD1-CG 4.42Å; F128-R132 VanDerWaalsContact CE1-NH1 3.29Å; F128-R132 VanDerWaalsContact CG-NE 3.34Å; F128-R132 VanDerWaalsContact CZ-NH2 3.32Å; G130-R132 VanDerWaalsContact C-N 3.34Å; G130-R132 PolarHBondContact O-N 3.1Å; R132-I136 WeakPolarHBondContact O-CB 3.44Å; R132-I136 WeakPolarHBondContact O-CD1 3.38Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.11Å
133K78.8Confident73.4Confident112 Ų11268.3 Ų68.349%0.48739%0.39SS..Hα-helixtrans-70.5-46.4176.9-174.9179.3177.3-65.10110.5R122 G130 V131 L135 I136 D137R122-K133 HydrophobicContact CG-CG 4.01Å; G130-K133 PolarHBondContact O-N 2.95Å; G130-K133 VanDerWaalsContact O-N 3.11Å; V131-K133 VanDerWaalsContact C-N 3.34Å; V131-K133 PolarHBondContact O-N 2.84Å; K133-L135 VanDerWaalsContact C-N 3.28Å; K133-L135 PolarHBondContact O-N 3.41Å; K133-I136 PolarHBondContact O-N 3.27Å; K133-D137 IonicContact NZ-OD2 2.84Å; K133-D137 PolarHBondContact NZ-OD2 3.4Å; K133-D137 WeakPolarHBondContact O-CB 3.16Å; K133-D137 VanDerWaalsContact O-CG 3.22Å; K133-D137 PolarHBondContact O-N 3.15Å
134A81.9Confident73.9Confident59 Ų5966.2 Ų66.249%0.48838%0.376SS..Hα-helixtrans-61.1-39.5175.700000111.6D137 T138A134-D137 PolarHBondContact O-N 2.84Å; A134-T138 WeakPolarHBondContact O-CB 3.39Å; A134-T138 PolarHBondContact O-N 2.88Å; A134-T138 PolarHBondContact O-OG1 2.91Å
135L85Confident74.8Confident14 Ų1465.6 Ų65.67%0.07337%0.373CS..Hα-helixtrans-62.7-46175.4-170.469.2000112.3V131 K133 T138 L139 A164 E167 L168V131-L135 PolarHBondContact O-N 2.85Å; K133-L135 VanDerWaalsContact C-N 3.28Å; K133-L135 PolarHBondContact O-N 3.41Å; L135-T138 PolarHBondContact O-N 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.21Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.49Å; L135-A164 HydrophobicContact CD1-CB 3.76Å; L135-E167 HydrophobicContact CD1-CB 4.21Å; L135-E167 HydrophobicContact CD1-CG 4.39Å; L135-E167 WeakPolarHBondContact CD1-OE2 3.29Å; L135-E167 HydrophobicContact CD2-CB 4.15Å; L135-E167 HydrophobicContact CD2-CG 4.04Å; L135-L168 HydrophobicContact CD2-CB 3.97Å; L135-L168 HydrophobicContact CD2-CD1 4.24Å
136I84.6Confident76.2Confident6 Ų662.1 Ų62.13%0.03135%0.351CS..Hα-helixtrans-67-40.2177.6-68164000111.2L118 L121 R122 R132 K133 T138 L139 L140L118-I136 HydrophobicContact CB-CG2 4.1Å; L118-I136 WeakPolarHBondContact O-CG2 3.48Å; L121-I136 HydrophobicContact CB-CD1 4.17Å; L121-I136 HydrophobicContact CD2-CD1 3.92Å; L121-I136 HydrophobicContact CD2-CG1 4.37Å; L121-I136 HydrophobicContact CG-CD1 3.82Å; R122-I136 HydrophobicContact CB-CD1 4.45Å; R122-I136 HydrophobicContact CB-CG2 4.02Å; R122-I136 HydrophobicContact CG-CG2 4.49Å; R132-I136 WeakPolarHBondContact O-CB 3.44Å; R132-I136 WeakPolarHBondContact O-CD1 3.38Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.11Å; K133-I136 PolarHBondContact O-N 3.27Å; I136-T138 VanDerWaalsContact C-N 3.34Å; I136-L139 PolarHBondContact O-N 3.43Å; I136-L140 VanDerWaalsContact O-CB 3.3Å; I136-L140 WeakPolarHBondContact O-CB 3.48Å; I136-L140 PolarHBondContact O-N 2.88Å
137D86.1Confident77.1Confident51 Ų5167.1 Ų67.127%0.27337%0.365SS..Hα-helixtrans-64-41176.8-70.3-25.8000110.1R122 K133 A134 L140 D141R122-D137 VanDerWaalsContact CD-OD1 3.32Å; R122-D137 WeakPolarHBondContact CD-OD1 3.49Å; R122-D137 IonicContact NH1-OD1 3.82Å; K133-D137 IonicContact NZ-OD2 2.84Å; K133-D137 PolarHBondContact NZ-OD2 3.4Å; K133-D137 WeakPolarHBondContact O-CB 3.16Å; K133-D137 VanDerWaalsContact O-CG 3.22Å; K133-D137 PolarHBondContact O-N 3.15Å; A134-D137 PolarHBondContact O-N 2.84Å; D137-L140 PolarHBondContact O-N 3.12Å; D137-D141 WeakPolarHBondContact O-CB 3.39Å; D137-D141 PolarHBondContact O-N 3.23Å
138T87.8Confident78.4Confident75 Ų7568.1 Ų68.146%0.4635%0.353SS..Hα-helixtrans-65.1-41.1175-54.70000112.1A134 L135 I136 L140 D141 G142A134-T138 WeakPolarHBondContact O-CB 3.39Å; A134-T138 PolarHBondContact O-N 2.88Å; A134-T138 PolarHBondContact O-OG1 2.91Å; L135-T138 PolarHBondContact O-N 3.32Å; I136-T138 VanDerWaalsContact C-N 3.34Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-D141 PolarHBondContact O-N 2.9Å; T138-G142 PolarHBondContact O-N 3.45Å
139L87.4Confident79.4Confident0 Ų065.3 Ų65.30%035%0.352CS..Hα-helixtrans-64.7-39.9174.9-82.6169.6000112.5L118 L135 I136 Y143 Y161 A164 L165 L168L118-L139 HydrophobicContact CD1-CB 4.14Å; L135-L139 WeakPolarHBondContact O-CB 3.21Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.49Å; I136-L139 PolarHBondContact O-N 3.43Å; L139-Y143 VanDerWaalsContact O-CB 3.27Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.39Å; L139-Y161 HydrophobicContact CD2-CD2 3.86Å; L139-Y161 HydrophobicContact CD2-CE2 3.7Å; L139-Y161 WeakPolarHBondContact O-CE2 3.27Å; L139-A164 HydrophobicContact CD2-CB 3.77Å; L139-A164 HydrophobicContact CG-CB 3.81Å; L139-L165 HydrophobicContact CD1-CD2 4.4Å; L139-L165 HydrophobicContact CD2-CB 4.23Å; L139-L165 HydrophobicContact CD2-CD2 3.58Å; L139-L165 HydrophobicContact CD2-CG 3.51Å; L139-L168 HydrophobicContact CD1-CB 4Å; L139-L168 HydrophobicContact CD1-CD2 3.58Å; L139-L168 HydrophobicContact CD1-CG 4.35Å
140L87Confident80.2Confident14 Ų1458.1 Ų58.17%0.07333%0.326CS..Hα-helixtrans-66.2-44.7178.5-17764.1000110.3R115 L119 I136 D137 T138 Y143 E144R115-L140 HydrophobicContact CB-CD1 4.21Å; R115-L140 HydrophobicContact CG-CD1 3.74Å; L119-L140 HydrophobicContact CD2-CD2 3.78Å; L119-L140 HydrophobicContact CG-CD2 4.34Å; I136-L140 VanDerWaalsContact O-CB 3.3Å; I136-L140 WeakPolarHBondContact O-CB 3.48Å; I136-L140 PolarHBondContact O-N 2.88Å; D137-L140 PolarHBondContact O-N 3.12Å; T138-L140 VanDerWaalsContact C-N 3.34Å; L140-Y143 PolarHBondContact O-N 2.99Å; L140-E144 WeakPolarHBondContact CG-OE1 3.43Å; L140-E144 WeakPolarHBondContact O-CB 2.96Å; L140-E144 WeakPolarHBondContact O-CG 3.24Å; L140-E144 PolarHBondContact O-N 3.22Å
141D87.9Confident80.9Confident103 Ų10358.3 Ų58.355%0.55133%0.328SS*.Hα-helixtrans-62.7-46.5176-169.148.2000111.9D137 T138 Y143 E144 T145D137-D141 WeakPolarHBondContact O-CB 3.39Å; D137-D141 PolarHBondContact O-N 3.23Å; T138-D141 PolarHBondContact O-N 2.9Å; D141-Y143 VanDerWaalsContact C-N 3.31Å; D141-Y143 PolarHBondContact O-N 2.86Å; D141-E144 PolarHBondContact O-N 2.86Å; D141-T145 WeakPolarHBondContact O-CB 3.29Å; D141-T145 WeakPolarHBondContact O-CG2 3.49Å; D141-T145 PolarHBondContact O-N 3.26Å; D141-T145 PolarHBondContact O-OG1 3.4Å
142G87.2Confident81.6Confident11 Ų1157 Ų5711%0.11332%0.32CS..Hα-helixtrans-60.3-37.5174.900000113.3T138 T145 A146T138-G142 PolarHBondContact O-N 3.45Å; G142-T145 VanDerWaalsContact CA-OG1 3.29Å; G142-T145 WeakPolarHBondContact CA-OG1 3.19Å; G142-T145 PolarHBondContact O-OG1 2.91Å; G142-A146 WeakPolarHBondContact O-CB 3.14Å; G142-A146 PolarHBondContact O-N 3.3Å
143Y85.1Confident82Confident17 Ų1758.5 Ų58.57%0.06733%0.328CS..Hα-helixtrans-71.9-39.9176176.7-91.9000112.5F114 R115 L139 L140 D141 R147 Y148F114-Y143 HydrophobicContact CB-CE2 4.29Å; F114-Y143 HydrophobicContact CD1-CD1 4.45Å; F114-Y143 AromaticContact CD1-CD2 3.51Å; F114-Y143 HydrophobicContact CD1-CD2 3.51Å; F114-Y143 AromaticContact CD1-CE2 3.58Å; F114-Y143 HydrophobicContact CD1-CE2 3.58Å; F114-Y143 AromaticContact CD1-CG 3.96Å; F114-Y143 HydrophobicContact CD1-CG 3.96Å; F114-Y143 AromaticContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CE2 4.35Å; F114-Y143 HydrophobicContact CE1-CG 4.25Å; F114-Y143 HydrophobicContact CG-CE2 4.31Å; R115-Y143 HydrophobicContact CB-CE1 4.49Å; L139-Y143 VanDerWaalsContact O-CB 3.27Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.39Å; L140-Y143 PolarHBondContact O-N 2.99Å; D141-Y143 VanDerWaalsContact C-N 3.31Å; D141-Y143 PolarHBondContact O-N 2.86Å; Y143-R147 HydrophobicContact CE2-CG 4.43Å; Y143-R147 WeakPolarHBondContact O-CB 3.29Å; Y143-R147 PolarHBondContact O-N 3.34Å; Y143-R147 VanDerWaalsContact O-N 3.12Å; Y143-R147 PolarHBondContact OH-NH1 3.38Å; Y143-Y148 HydrophobicContact CE1-CE2 4.07Å
144E83.8Confident82.2Confident58 Ų5854.5 Ų54.527%0.27132%0.318SS..Hα-helixtrans-66.1-46176.9-75.2-174.2-139.700111.5R115 L140 D141 Y148 G149R115-E144 VanDerWaalsContact CZ-CD 3.47Å; R115-E144 IonicContact CZ-OE1 3.07Å; R115-E144 IonicContact CZ-OE2 2.76Å; R115-E144 IonicContact NE-OE1 2.65Å; R115-E144 IonicContact NH1-OE1 3.59Å; R115-E144 PolarHBondContact NH1-OE1 3.26Å; R115-E144 IonicContact NH1-OE2 3.78Å; R115-E144 PolarHBondContact NH1-OE2 3.13Å; R115-E144 IonicContact NH2-OE1 3.22Å; R115-E144 PolarHBondContact NH2-OE1 2.82Å; R115-E144 IonicContact NH2-OE2 2.89Å; R115-E144 PolarHBondContact NH2-OE2 2.96Å; L140-E144 WeakPolarHBondContact CG-OE1 3.43Å; L140-E144 WeakPolarHBondContact O-CB 2.96Å; L140-E144 WeakPolarHBondContact O-CG 3.24Å; L140-E144 PolarHBondContact O-N 3.22Å; D141-E144 PolarHBondContact O-N 2.86Å; E144-Y148 CarbonylContact O-C 3.5Å; E144-Y148 WeakPolarHBondContact O-CA 3.41Å; E144-Y148 WeakPolarHBondContact O-CB 3.16Å; E144-Y148 PolarHBondContact O-N 2.83Å; E144-G149 PolarHBondContact O-N 3.2Å
145T85.7Confident82.3Confident54 Ų5457.5 Ų57.533%0.33132%0.322SS..Hα-helixtrans-63-43175.848.50000112D141 G142 R147 G149D141-T145 WeakPolarHBondContact O-CB 3.29Å; D141-T145 WeakPolarHBondContact O-CG2 3.49Å; D141-T145 PolarHBondContact O-N 3.26Å; D141-T145 PolarHBondContact O-OG1 3.4Å; G142-T145 VanDerWaalsContact CA-OG1 3.29Å; G142-T145 WeakPolarHBondContact CA-OG1 3.19Å; G142-T145 PolarHBondContact O-OG1 2.91Å; T145-R147 PolarHBondContact O-N 2.83Å; T145-G149 VanDerWaalsContact O-CA 3.24Å; T145-G149 WeakPolarHBondContact O-CA 3.34Å; T145-G149 PolarHBondContact O-N 2.97Å; T145-G149 VanDerWaalsContact O-N 3.11Å
146A82Confident82.3Confident48 Ų4863.1 Ų63.140%0.39735%0.352SS..Hα-helixtrans-67.8-34.818000000114.5G142 F153G142-A146 WeakPolarHBondContact O-CB 3.14Å; G142-A146 PolarHBondContact O-N 3.3Å; A146-F153 HydrophobicContact CB-CD1 4.12Å; A146-F153 HydrophobicContact CB-CD2 3.86Å; A146-F153 HydrophobicContact CB-CE1 3.96Å; A146-F153 HydrophobicContact CB-CE2 3.68Å; A146-F153 HydrophobicContact CB-CG 4.07Å; A146-F153 HydrophobicContact CB-CZ 3.74Å
147R77Confident82.3Confident155 Ų15566.9 Ų66.959%0.58537%0.37SS*.Hα-helixtrans-102.3-33.1-174.3-75.6-166.5163.7-178.3-9.2114.8Y143 T145Y143-R147 HydrophobicContact CE2-CG 4.43Å; Y143-R147 WeakPolarHBondContact O-CB 3.29Å; Y143-R147 PolarHBondContact O-N 3.34Å; Y143-R147 VanDerWaalsContact O-N 3.12Å; Y143-R147 PolarHBondContact OH-NH1 3.38Å; T145-R147 PolarHBondContact O-N 2.83Å
148Y76.7Confident82.2Confident150 Ų15069.4 Ų69.459%0.58838%0.376SS*.Hα-helixtrans-127.9-2.1-171.5-50.4-64.3000112.4Y143 E144Y143-Y148 HydrophobicContact CE1-CE2 4.07Å; E144-Y148 CarbonylContact O-C 3.5Å; E144-Y148 WeakPolarHBondContact O-CA 3.41Å; E144-Y148 WeakPolarHBondContact O-CB 3.16Å; E144-Y148 PolarHBondContact O-N 2.83Å
149G76.7Confident82.2Confident40 Ų4069.9 Ų69.941%0.41238%0.375SS..  trans-69.3143.7176.300000111.1E144 T145E144-G149 PolarHBondContact O-N 3.2Å; T145-G149 VanDerWaalsContact O-CA 3.24Å; T145-G149 WeakPolarHBondContact O-CA 3.34Å; T145-G149 PolarHBondContact O-N 2.97Å; T145-G149 VanDerWaalsContact O-N 3.11Å
150T71.3Confident82.2Confident63 Ų6378.9 Ų78.939%0.38741%0.409SS..SBendtrans-92-9174.450.60000112.3D71D71-T150 HydrophobicContact CB-CG2 3.78Å; D71-T150 WeakPolarHBondContact O-CB 3.43Å
151G73.6Confident82.2Confident47 Ų4780.2 Ų80.249%0.48541%0.414SS..SBendtrans-89177.1179.700000114F153G151-F153 PolarHBondContact O-N 3.16Å
152V75.8Confident82.1Confident87 Ų8779.9 Ų79.953%0.52741%0.409SS..  trans-66.7128.2171.8-178.20000108.4Y74Y74-V152 HydrophobicContact CE1-CG2 4.42Å; Y74-V152 HydrophobicContact CE2-CB 4.38Å; Y74-V152 HydrophobicContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CZ-CG2 3.42Å; Y74-V152 WeakPolarHBondContact OH-CG2 3.3Å
153F80.8Confident82.2Confident64 Ų6485.4 Ų85.428%0.28143%0.432SS..  trans-114.798.5164.1-171.1-86.8000107.8A146 G151 E157 Y158A146-F153 HydrophobicContact CB-CD1 4.12Å; A146-F153 HydrophobicContact CB-CD2 3.86Å; A146-F153 HydrophobicContact CB-CE1 3.96Å; A146-F153 HydrophobicContact CB-CE2 3.68Å; A146-F153 HydrophobicContact CB-CG 4.07Å; A146-F153 HydrophobicContact CB-CZ 3.74Å; G151-F153 PolarHBondContact O-N 3.16Å; F153-E157 WeakPolarHBondContact CA-OE2 3Å; F153-E157 HydrophobicContact CD2-CB 3.7Å; F153-E157 HydrophobicContact CD2-CG 4.41Å; F153-E157 HydrophobicContact CE2-CB 3.48Å; F153-E157 VanDerWaalsContact CE2-CB 3.48Å; F153-E157 HydrophobicContact CG-CB 4.33Å; F153-E157 HydrophobicContact CZ-CB 3.93Å; F153-Y158 HydrophobicContact CE1-CD2 4.25Å
154G82.9Confident82.3Confident28 Ų2884.9 Ų84.929%0.28943%0.431SS..  trans-105.4-165.7-176.600000113.5N156 E157 Y158G154-N156 VanDerWaalsContact C-N 3.32Å; G154-N156 PolarHBondContact O-N 3.15Å; G154-E157 PolarHBondContact N-OE2 2.75Å; G154-E157 PolarHBondContact O-N 3.5Å; G154-Y158 WeakPolarHBondContact O-CB 3.39Å; G154-Y158 PolarHBondContact O-N 3.21Å
155Q83.4Confident82.4Confident123 Ų12385 Ų8558%0.57543%0.433SS*.Hα-helixtrans-61.3-38.6-174.6-172.36319.200113Y158 L159Q155-Y158 PolarHBondContact O-N 3.25Å; Q155-L159 HydrophobicContact CG-CD1 4.09Å; Q155-L159 HydrophobicContact CG-CG 4.38Å; Q155-L159 WeakPolarHBondContact O-CB 3.37Å; Q155-L159 VanDerWaalsContact O-CG 3.28Å; Q155-L159 WeakPolarHBondContact O-CG 3.43Å; Q155-L159 PolarHBondContact O-N 2.8Å
156N85.1Confident82.3Confident131 Ų13185.5 Ų85.570%0.70144%0.439SS*.Hα-helixtrans-68.4-43.6-176.8-67.9-26.6000111.9G154 Y158 R160G154-N156 VanDerWaalsContact C-N 3.32Å; G154-N156 PolarHBondContact O-N 3.15Å; N156-Y158 VanDerWaalsContact C-N 3.34Å; N156-R160 PolarHBondContact O-N 2.89Å; N156-R160 VanDerWaalsContact O-N 3.16Å
157E85.4Confident82.5Confident86 Ų8687.4 Ų87.440%0.40244%0.44SS..Hα-helixtrans-66.8-39.1174.9-65.5112.7172.600111.2F153 G154 R160 Y161F153-E157 WeakPolarHBondContact CA-OE2 3Å; F153-E157 HydrophobicContact CD2-CB 3.7Å; F153-E157 HydrophobicContact CD2-CG 4.41Å; F153-E157 HydrophobicContact CE2-CB 3.48Å; F153-E157 VanDerWaalsContact CE2-CB 3.48Å; F153-E157 HydrophobicContact CG-CB 4.33Å; F153-E157 HydrophobicContact CZ-CB 3.93Å; G154-E157 PolarHBondContact N-OE2 2.75Å; G154-E157 PolarHBondContact O-N 3.5Å; E157-R160 PolarHBondContact O-N 3.03Å; E157-Y161 WeakPolarHBondContact O-CB 3.19Å; E157-Y161 PolarHBondContact O-N 2.69Å
158Y84.4Confident82.8Confident104 Ų10480.9 Ų80.941%0.40842%0.416SS..Hα-helixtrans-59.7-47.8175.7179-102.7000112.4F153 G154 Q155 N156 R160 Y161 Q162F153-Y158 HydrophobicContact CE1-CD2 4.25Å; G154-Y158 WeakPolarHBondContact O-CB 3.39Å; G154-Y158 PolarHBondContact O-N 3.21Å; Q155-Y158 PolarHBondContact O-N 3.25Å; N156-Y158 VanDerWaalsContact C-N 3.34Å; Y158-R160 PolarHBondContact O-N 2.74Å; Y158-Y161 WeakPolarHBondContact O-CB 3.46Å; Y158-Y161 PolarHBondContact O-N 3.42Å; Y158-Q162 VanDerWaalsContact CE1-OE1 3.26Å; Y158-Q162 WeakPolarHBondContact O-CB 3.27Å; Y158-Q162 PolarHBondContact O-N 3.04Å
159L86.8Confident83.1Confident84 Ų8475.8 Ų75.844%0.4441%0.405SS..Hα-helixtrans-61.7-43.7179-74.3173.5000111.6Q155 Y161 Q162 E163Q155-L159 HydrophobicContact CG-CD1 4.09Å; Q155-L159 HydrophobicContact CG-CG 4.38Å; Q155-L159 WeakPolarHBondContact O-CB 3.37Å; Q155-L159 VanDerWaalsContact O-CG 3.28Å; Q155-L159 WeakPolarHBondContact O-CG 3.43Å; Q155-L159 PolarHBondContact O-N 2.8Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.16Å; L159-Q162 PolarHBondContact O-N 3.08Å; L159-E163 WeakPolarHBondContact O-CB 3.45Å; L159-E163 PolarHBondContact O-N 3.17Å
160R87.3Confident83.3Confident189 Ų18978 Ų7871%0.71341%0.411SS*.Hα-helixtrans-60.5-43.2174.4-80.2-161.4-177.9-176.63.5112.4N156 E157 Y158 E163 A164N156-R160 PolarHBondContact O-N 2.89Å; N156-R160 VanDerWaalsContact O-N 3.16Å; E157-R160 PolarHBondContact O-N 3.03Å; Y158-R160 PolarHBondContact O-N 2.74Å; R160-E163 PolarHBondContact O-N 3.06Å; R160-A164 WeakPolarHBondContact O-CB 3.29Å; R160-A164 PolarHBondContact O-N 3.31Å
161Y87.5Confident83.7Confident42 Ų4276.2 Ų76.217%0.16540%0.402CS..Hα-helixtrans-63.2-43.3177.6176.1-104.7000111.6L139 E157 Y158 L159 A164 L165L139-Y161 HydrophobicContact CD2-CD2 3.86Å; L139-Y161 HydrophobicContact CD2-CE2 3.7Å; L139-Y161 WeakPolarHBondContact O-CE2 3.27Å; E157-Y161 WeakPolarHBondContact O-CB 3.19Å; E157-Y161 PolarHBondContact O-N 2.69Å; Y158-Y161 WeakPolarHBondContact O-CB 3.46Å; Y158-Y161 PolarHBondContact O-N 3.42Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.16Å; Y161-A164 PolarHBondContact O-N 3.31Å; Y161-L165 HydrophobicContact CD1-CD1 3.98Å; Y161-L165 HydrophobicContact CE1-CD1 3.36Å; Y161-L165 HydrophobicContact CE1-CG 4.11Å; Y161-L165 HydrophobicContact CE2-CD1 4.47Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.37Å; Y161-L165 PolarHBondContact O-N 3.16Å
162Q86.4Confident83.8Confident96 Ų9676.5 Ų76.545%0.44939%0.394SS..Hα-helixtrans-65.1-42.6177.6-175.8179.2-5.100112.2Y158 L159 L165 S166Y158-Q162 VanDerWaalsContact CE1-OE1 3.26Å; Y158-Q162 WeakPolarHBondContact O-CB 3.27Å; Y158-Q162 PolarHBondContact O-N 3.04Å; L159-Q162 PolarHBondContact O-N 3.08Å; Q162-L165 WeakPolarHBondContact O-CB 3.43Å; Q162-L165 PolarHBondContact O-N 3.45Å; Q162-S166 PolarHBondContact O-N 2.77Å
163E88.4Confident83.8Confident127 Ų12778.6 Ų78.659%0.59340%0.397SS*.Hα-helixtrans-58.6-51175.1-177.5176.9-15800110.4L159 R160 L165 S166 E167L159-E163 WeakPolarHBondContact O-CB 3.45Å; L159-E163 PolarHBondContact O-N 3.17Å; R160-E163 PolarHBondContact O-N 3.06Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.38Å; E163-S166 WeakPolarHBondContact O-CB 3.03Å; E163-S166 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-OG 3.29Å; E163-E167 PolarHBondContact O-N 2.9Å
164A86.7Confident83.5Confident6 Ų678.7 Ų78.75%0.0541%0.409CS..Hα-helixtrans-60.7-35.8178.600000112.7L135 L139 R160 Y161 L168L135-A164 HydrophobicContact CD1-CB 3.76Å; L139-A164 HydrophobicContact CD2-CB 3.77Å; L139-A164 HydrophobicContact CG-CB 3.81Å; R160-A164 WeakPolarHBondContact O-CB 3.29Å; R160-A164 PolarHBondContact O-N 3.31Å; Y161-A164 PolarHBondContact O-N 3.31Å; A164-L168 WeakPolarHBondContact O-CB 3.27Å; A164-L168 PolarHBondContact O-N 3.24Å
165L85.4Confident82.7Confident61 Ų6183.2 Ų83.232%0.31942%0.417SS..Hα-helixtrans-66.3-42.6174.5-84.6179.7000111.5F114 L139 Y161 Q162 E163 E167 L168 A169F114-L165 HydrophobicContact CZ-CD2 4.24Å; L139-L165 HydrophobicContact CD1-CD2 4.4Å; L139-L165 HydrophobicContact CD2-CB 4.23Å; L139-L165 HydrophobicContact CD2-CD2 3.58Å; L139-L165 HydrophobicContact CD2-CG 3.51Å; Y161-L165 HydrophobicContact CD1-CD1 3.98Å; Y161-L165 HydrophobicContact CE1-CD1 3.36Å; Y161-L165 HydrophobicContact CE1-CG 4.11Å; Y161-L165 HydrophobicContact CE2-CD1 4.47Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.37Å; Y161-L165 PolarHBondContact O-N 3.16Å; Q162-L165 WeakPolarHBondContact O-CB 3.43Å; Q162-L165 PolarHBondContact O-N 3.45Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.38Å; L165-E167 VanDerWaalsContact C-N 3.34Å; L165-L168 PolarHBondContact O-N 3.33Å; L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.18Å
166S85.3Confident81.6Confident65 Ų6582.3 Ų82.346%0.45542%0.416SS..Hα-helixtrans-64.7-41.1179.478.50000111.3Q162 E163 A169 T170Q162-S166 PolarHBondContact O-N 2.77Å; E163-S166 WeakPolarHBondContact O-CB 3.03Å; E163-S166 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-OG 3.29Å; S166-A169 PolarHBondContact O-N 3.47Å; S166-T170 WeakPolarHBondContact O-CG2 3.45Å; S166-T170 PolarHBondContact O-N 3.2Å; S166-T170 PolarHBondContact O-OG1 2.91Å
167E86.4Confident80.5Confident88 Ų8877.9 Ų77.941%0.41140%0.401SS..Hα-helixtrans-65.9-40.4176.4-169.3-174.3159.300111.6L135 E163 L165 A169 T170 A171L135-E167 HydrophobicContact CD1-CB 4.21Å; L135-E167 HydrophobicContact CD1-CG 4.39Å; L135-E167 WeakPolarHBondContact CD1-OE2 3.29Å; L135-E167 HydrophobicContact CD2-CB 4.15Å; L135-E167 HydrophobicContact CD2-CG 4.04Å; E163-E167 PolarHBondContact O-N 2.9Å; L165-E167 VanDerWaalsContact C-N 3.34Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 3.48Å; E167-T170 WeakPolarHBondContact CA-OG1 3.42Å; E167-T170 PolarHBondContact O-N 3.29Å; E167-T170 PolarHBondContact O-OG1 2.74Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.26Å
168L82.8Confident79.2Confident17 Ų1777.3 Ų77.39%0.08941%0.406CS..Hα-helixtrans-64.2-42.1174.7-174.965.3000110.7L118 L121 L135 L139 A164 L165 A171 V172L118-L168 HydrophobicContact CD2-CD2 4.17Å; L121-L168 HydrophobicContact CD2-CD1 4.03Å; L121-L168 HydrophobicContact CD2-CD2 4.25Å; L135-L168 HydrophobicContact CD2-CB 3.97Å; L135-L168 HydrophobicContact CD2-CD1 4.24Å; L139-L168 HydrophobicContact CD1-CB 4Å; L139-L168 HydrophobicContact CD1-CD2 3.58Å; L139-L168 HydrophobicContact CD1-CG 4.35Å; A164-L168 WeakPolarHBondContact O-CB 3.27Å; A164-L168 PolarHBondContact O-N 3.24Å; L165-L168 PolarHBondContact O-N 3.33Å; L168-A171 PolarHBondContact O-N 2.81Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.22Å; L168-V172 PolarHBondContact O-N 2.85Å
169A81.6Confident77.9Confident44 Ų4475 Ų7536%0.36441%0.406SS..Hα-helixtrans-64.2-40.917900000112.4L165 S166 E167 V172 K173L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.18Å; S166-A169 PolarHBondContact O-N 3.47Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 3.48Å; A169-V172 PolarHBondContact O-N 2.91Å; A169-K173 WeakPolarHBondContact O-CB 3.27Å; A169-K173 VanDerWaalsContact O-CG 3.29Å; A169-K173 WeakPolarHBondContact O-CG 3.42Å; A169-K173 PolarHBondContact O-N 2.75Å
170T82.5Confident76.5Confident86 Ų8677.1 Ų77.153%0.52841%0.413SS..Hα-helixtrans-66.1-42.7174.857.50000111S166 E167 V172 K173 A174S166-T170 WeakPolarHBondContact O-CG2 3.45Å; S166-T170 PolarHBondContact O-N 3.2Å; S166-T170 PolarHBondContact O-OG1 2.91Å; E167-T170 WeakPolarHBondContact CA-OG1 3.42Å; E167-T170 PolarHBondContact O-N 3.29Å; E167-T170 PolarHBondContact O-OG1 2.74Å; T170-V172 VanDerWaalsContact C-N 3.31Å; T170-V172 PolarHBondContact O-N 3.49Å; T170-K173 PolarHBondContact O-N 3.11Å; T170-A174 WeakPolarHBondContact O-CB 3.41Å; T170-A174 PolarHBondContact O-N 3.15Å
171A78.1Confident75Confident25 Ų2577.5 Ų77.521%0.20741%0.414CS..Hα-helixtrans-63-35.6177.400000113E167 L168 R175E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.26Å; L168-A171 PolarHBondContact O-N 2.81Å; A171-R175 PolarHBondContact O-N 3.2Å
172V75.9Confident73.5Confident53 Ų5382.7 Ų82.732%0.32144%0.44SS..Hα-helixtrans-71.1-45.7174.4171.60000110.9L168 A169 T170 A174 R175 I176L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.22Å; L168-V172 PolarHBondContact O-N 2.85Å; A169-V172 PolarHBondContact O-N 2.91Å; T170-V172 VanDerWaalsContact C-N 3.31Å; T170-V172 PolarHBondContact O-N 3.49Å; V172-A174 PolarHBondContact O-N 3.3Å; V172-R175 WeakPolarHBondContact O-CB 3.18Å; V172-R175 PolarHBondContact O-N 3.2Å; V172-I176 HydrophobicContact CG1-CD1 4.11Å; V172-I176 WeakPolarHBondContact O-CG1 3.43Å; V172-I176 PolarHBondContact O-N 3.44Å; V172-I176 VanDerWaalsContact O-N 3.15Å
173K77.4Confident72Confident131 Ų13184.9 Ų84.957%0.5745%0.45SS*.Hα-helixtrans-62.4-42.4177.7-74.8175-175.91750112.7A169 T170 R175 I176 G177A169-K173 WeakPolarHBondContact O-CB 3.27Å; A169-K173 VanDerWaalsContact O-CG 3.29Å; A169-K173 WeakPolarHBondContact O-CG 3.42Å; A169-K173 PolarHBondContact O-N 2.75Å; T170-K173 PolarHBondContact O-N 3.11Å; K173-R175 PolarHBondContact O-N 2.83Å; K173-I176 PolarHBondContact O-N 3.41Å; K173-I176 VanDerWaalsContact O-N 3.14Å; K173-G177 PolarHBondContact O-N 3.17Å
174A72.6Confident70.6Confident66 Ų6684.5 Ų84.555%0.54545%0.448SS..Hα-helixtrans-58.3-38.1177.600000112T170 V172 S178T170-A174 WeakPolarHBondContact O-CB 3.41Å; T170-A174 PolarHBondContact O-N 3.15Å; V172-A174 PolarHBondContact O-N 3.3Å; A174-S178 WeakPolarHBondContact O-CB 3.36Å; A174-S178 PolarHBondContact O-N 3.48Å
175R66.3Low69.2Low123 Ų12387.4 Ų87.446%0.46447%0.468SS..Hα-helixtrans-68-42174.7177.7-177168.2-161.3-2.8112.8A171 V172 K173 G177 S178 S179A171-R175 PolarHBondContact O-N 3.2Å; V172-R175 WeakPolarHBondContact O-CB 3.18Å; V172-R175 PolarHBondContact O-N 3.2Å; K173-R175 PolarHBondContact O-N 2.83Å; R175-G177 VanDerWaalsContact C-N 3.26Å; R175-G177 PolarHBondContact O-N 2.85Å; R175-S178 PolarHBondContact O-N 3.46Å; R175-S178 PolarHBondContact O-OG 3.36Å; R175-S179 WeakPolarHBondContact O-CB 3.35Å; R175-S179 PolarHBondContact O-N 2.9Å
176I61.9Low67.8Low105 Ų10587.2 Ų87.254%0.53848%0.476SS..Hα-helixtrans-60.4-42.5177.5-65.5166.4000109.6V172 K173 Q180V172-I176 HydrophobicContact CG1-CD1 4.11Å; V172-I176 WeakPolarHBondContact O-CG1 3.43Å; V172-I176 PolarHBondContact O-N 3.44Å; V172-I176 VanDerWaalsContact O-N 3.15Å; K173-I176 PolarHBondContact O-N 3.41Å; K173-I176 VanDerWaalsContact O-N 3.14Å; I176-Q180 PolarHBondContact O-N 2.83Å
177G60.3Low66.3Low37 Ų3786.9 Ų86.938%0.38148%0.477SS..Hα-helixtrans-67.3-40174.800000114.3K173 R175 R181K173-G177 PolarHBondContact O-N 3.17Å; R175-G177 VanDerWaalsContact C-N 3.26Å; R175-G177 PolarHBondContact O-N 2.85Å; G177-R181 PolarHBondContact O-N 3.45Å
178S59.4Low64.8Low74 Ų7489.7 Ų89.752%0.51749%0.488SS..Hα-helixtrans-71.5-37.7-179.7860000112.6A174 R175 R181 H182A174-S178 WeakPolarHBondContact O-CB 3.36Å; A174-S178 PolarHBondContact O-N 3.48Å; R175-S178 PolarHBondContact O-N 3.46Å; R175-S178 PolarHBondContact O-OG 3.36Å; S178-R181 PolarHBondContact O-N 2.91Å; S178-H182 PolarHBondContact O-N 3.34Å; S178-H182 VanDerWaalsContact O-N 3.08Å
179S57.4Low63.3Low57 Ų5795.1 Ų95.140%0.39952%0.516SS..Hα-helixtrans-63.6-42.8177.6-156.50000110.8R175 R181 H182 H183R175-S179 WeakPolarHBondContact O-CB 3.35Å; R175-S179 PolarHBondContact O-N 2.9Å; S179-R181 PolarHBondContact O-N 2.88Å; S179-H182 PolarHBondContact O-N 3.04Å; S179-H183 PolarHBondContact O-CD2 2.84Å; S179-H183 PolarHBondContact O-N 2.93Å
180Q57.1Low62Low127 Ų127100.4 Ų100.459%0.59354%0.538SS*.Hα-helixtrans-64-39.3176.2-77.4-154.2-33.100113.2I176 H183 Q184I176-Q180 PolarHBondContact O-N 2.83Å; Q180-H183 PolarHBondContact O-N 3.48Å; Q180-Q184 WeakPolarHBondContact O-CG 3.28Å; Q180-Q184 PolarHBondContact O-N 3.37Å; Q180-Q184 VanDerWaalsContact O-N 3.14Å
181R56.2Low60.3Low197 Ų197101.9 Ų101.974%0.74355%0.547SS*.Hα-helixtrans-63.8-40175.4-75.5-176.5-175.4178.71.5112.1G177 S178 S179 H183 Q184 S185G177-R181 PolarHBondContact O-N 3.45Å; S178-R181 PolarHBondContact O-N 2.91Å; S179-R181 PolarHBondContact O-N 2.88Å; R181-H183 PolarHBondContact O-N 3.27Å; R181-Q184 PolarHBondContact O-N 2.77Å; R181-S185 WeakPolarHBondContact O-CB 3.35Å; R181-S185 PolarHBondContact O-N 2.93Å; R181-S185 PolarHBondContact O-OG 3.29Å
182H55.9Low58.7Low152 Ų152108.8 Ų108.870%0.70458%0.575SS**Hα-helixtrans-65.9-38-179.8-149.252.4000112.5S178 S179 A186S178-H182 PolarHBondContact O-N 3.34Å; S178-H182 VanDerWaalsContact O-N 3.08Å; S179-H182 PolarHBondContact O-N 3.04Å; H182-A186 PolarHBondContact O-N 2.98Å
183H54.8Low56.9Low141 Ų141111.1 Ų111.165%0.65359%0.594SS**Hα-helixtrans-67.3-36.6173.4-71.4-68.5000113S179 Q180 R181 A187S179-H183 PolarHBondContact O-CD2 2.84Å; S179-H183 PolarHBondContact O-N 2.93Å; Q180-H183 PolarHBondContact O-N 3.48Å; R181-H183 PolarHBondContact O-N 3.27Å; H183-A187 PolarHBondContact O-N 3.4Å
184Q59.1Low55.3Low119 Ų119110.5 Ų110.556%0.55660%0.603SS**Hα-helixtrans-75.9-33.7178.3-70.4-177.533.800113.3Q180 R181 K188Q180-Q184 WeakPolarHBondContact O-CG 3.28Å; Q180-Q184 PolarHBondContact O-N 3.37Å; Q180-Q184 VanDerWaalsContact O-N 3.14Å; R181-Q184 PolarHBondContact O-N 2.77Å; Q184-K188 WeakPolarHBondContact O-CG 3.34Å; Q184-K188 PolarHBondContact O-N 3.05Å
185S57.2Low53.4Low67 Ų67116.6 Ų116.647%0.46962%0.62SS.*Hα-helixtrans-68.2-43.1175.8-620000112R181 A187 K188 D189R181-S185 WeakPolarHBondContact O-CB 3.35Å; R181-S185 PolarHBondContact O-N 2.93Å; R181-S185 PolarHBondContact O-OG 3.29Å; S185-A187 VanDerWaalsContact C-N 3.27Å; S185-A187 PolarHBondContact O-N 3.32Å; S185-K188 PolarHBondContact O-N 2.93Å; S185-K188 VanDerWaalsContact O-N 3.14Å; S185-D189 PolarHBondContact O-N 2.85Å
186A55.7Low52.2Low58 Ų58116.7 Ų116.748%0.47963%0.634SS.*Hα-helixtrans-65.4-28.6177.200000113.4H182H182-A186 PolarHBondContact O-N 2.98Å
187A54.4Low50.8Low58 Ų58117.2 Ų117.248%0.47965%0.647SS.*Hα-helixtrans-76.6-26.6174.700000113.1H183 S185 T191H183-A187 PolarHBondContact O-N 3.4Å; S185-A187 VanDerWaalsContact C-N 3.27Å; S185-A187 PolarHBondContact O-N 3.32Å; A187-T191 PolarHBondContact O-OG1 3.35Å
188K53.6Low49.9Very low147 Ų147120.5 Ų120.564%0.63966%0.662SS**Hα-helixtrans-74.4-33.3176.7-78.1179.4176.6-176.30112.7Q184 S185 L190 T191Q184-K188 WeakPolarHBondContact O-CG 3.34Å; Q184-K188 PolarHBondContact O-N 3.05Å; S185-K188 PolarHBondContact O-N 2.93Å; S185-K188 VanDerWaalsContact O-N 3.14Å; K188-L190 PolarHBondContact O-N 2.82Å; K188-T191 PolarHBondContact O-N 2.85Å; K188-T191 PolarHBondContact O-OG1 3.36Å
189D52.8Low48.7Very low130 Ų130122.8 Ų122.870%0.69567%0.673SS**THydrogen-bonded Turntrans-68.6-17176.7-70.6-18.4000113.3S185S185-D189 PolarHBondContact O-N 2.85Å
190L52.8Low47.6Very low156 Ų156126.3 Ų126.382%0.81769%0.692SS**THydrogen-bonded Turntrans-90.8-3.5177.8-74.4166.5000114.4K188K188-L190 PolarHBondContact O-N 2.82Å
191T48Very low47Very low116 Ų116127.2 Ų127.271%0.71270%0.699SS**SBendtrans-109.50.4179.530.20000114A187 K188 S193A187-T191 PolarHBondContact O-OG1 3.35Å; K188-T191 PolarHBondContact O-N 2.85Å; K188-T191 PolarHBondContact O-OG1 3.36Å; T191-S193 VanDerWaalsContact C-N 3.29Å; T191-S193 PolarHBondContact O-N 2.9Å
192Q43.3Very low46.1Very low171 Ų171126.8 Ų126.880%0.79971%0.706SS**  trans-83.178.5171.8-145.1170.42300110
193S39.6Very low45.3Very low102 Ų102124 Ų12471%0.71370%0.699SS**  trans-69.8127.4165.7-174.10000108.9T191 E195T191-S193 VanDerWaalsContact C-N 3.29Å; T191-S193 PolarHBondContact O-N 2.9Å; S193-E195 PolarHBondContact O-N 3.29Å
194P44Very low44.7Very low118 Ų118123.4 Ų123.477%0.76671%0.706SS**  trans-73.4109.9171.4-723.2000108.8
195E32.3Very low43.6Very low194 Ų194127.5 Ų127.591%0.90772%0.718SS**  trans-67.5135.4169.7-161.8175.2173.500109.9S193S193-E195 PolarHBondContact O-N 3.29Å
196V40.7Very low42.9Very low124 Ų124131.9 Ų131.975%0.75274%0.735SS**  trans-77.5143.3-165.2-177.10000111.4
197S31.6Very low42.5Very low116 Ų116134.9 Ų134.981%0.81175%0.749SS**  trans-150.6148.2143.4-80.10000111.6
198P42.4Very low41.5Very low106 Ų106137.5 Ų137.569%0.68876%0.764SS**  trans-101.1169.2-154.337.7-30.7000114
199T34.1Very low40.9Very low123 Ų123136.3 Ų136.376%0.75578%0.775SS**  trans95.595.5151.1-30.30000117.6
200T33.5Very low40.5Very low130 Ų130138.8 Ų138.880%0.79878%0.782SS**  165.4128.3107.7-67.50000110.4
201I44.3Very low39.9Very low146 Ų146141.4 Ų141.475%0.74979%0.787SS**  trans-57.6128.4176.9-63.6155.8000111V203I201-V203 HydrophobicContact CG2-CG2 4.22Å
202Q38.9Very low39.5Very low188 Ų188141.5 Ų141.588%0.87979%0.792SS**  trans-141.7134.3141.1-74-147.511.500111.7
203V38.3Very low39.8Very low94 Ų94143.1 Ų143.157%0.5780%0.796SS**  trans-88.9128.6-171.4174.10000108.7I201 Y205I201-V203 HydrophobicContact CG2-CG2 4.22Å; V203-Y205 HydrophobicContact CG1-CD2 3.58Å; V203-Y205 HydrophobicContact CG1-CE2 3.21Å
204T42.3Very low39.7Very low129 Ų129147.3 Ų147.379%0.79180%0.796SS**  trans-141.7109.5163.4-65.70000108.2
205Y36.2Very low39.7Very low205 Ų205146.3 Ų146.380%0.80480%0.798SS**  trans-79.5132.4174.9-67.5-88.4000109.8V203V203-Y205 HydrophobicContact CG1-CD2 3.58Å; V203-Y205 HydrophobicContact CG1-CE2 3.21Å
206L43Very low40.5Very low159 Ų159144.4 Ų144.483%0.83279%0.787SS**  trans-145.9127.3151.8-112.2119.1000109.7
207P45.8Very low40.8Very low120 Ų120146 Ų14678%0.77979%0.786SS**  trans-93134.518034.9-28.3000110.2
208S34.5Very low41.4Very low113 Ų113149.3 Ų149.379%0.7979%0.786SS**  trans-157.9110.8156.5-167.10000111.5Q210S208-Q210 PolarHBondContact O-N 3.03Å
209S40.8Very low41.9Very low123 Ų123150.2 Ų150.286%0.8679%0.785SS**  trans-72.7112.2176.4-64.20000111.5
210Q44.2Very low42.8Very low181 Ų181152 Ų15285%0.84678%0.784SS**  trans-143.499.9158.4-76.8-165.9-32.500113S208 S212S208-Q210 PolarHBondContact O-N 3.03Å; Q210-S212 PolarHBondContact O-N 3.36Å
211K39.7Very low43.4Very low212 Ų212153.8 Ų153.892%0.92279%0.788SS**  trans23.592144.7-60.2-178.9179.7176.70117.5K213K211-K213 PolarHBondContact O-N 2.94Å
212S40.5Very low43.5Very low117 Ų117155.6 Ų155.682%0.81879%0.791SS**  trans-82.2107.6161.8-178.50000110.7Q210 R214Q210-S212 PolarHBondContact O-N 3.36Å; S212-R214 PolarHBondContact O-N 3.05Å
213K48.3Very low43.9Very low205 Ų205151.5 Ų151.589%0.89178%0.783SS**  trans-77.495.1163.5-77.9-176.5179.61800108.3K211 A215K211-K213 PolarHBondContact O-N 2.94Å; K213-A215 PolarHBondContact O-N 3.33Å; K213-A215 VanDerWaalsContact O-N 3.11Å
214R38.3Very low44.2Very low190 Ų190157 Ų15772%0.71780%0.8SS**  trans-56105.8166.3-176.8179.8-178.2166.72.1110S212 K216S212-R214 PolarHBondContact O-N 3.05Å; R214-K216 HydrophobicContact CG-CG 3.99Å; R214-K216 PolarHBondContact O-N 3.16Å; R214-K216 VanDerWaalsContact O-N 3.15Å
215A44.2Very low44.6Very low98 Ų98159 Ų15981%0.8180%0.797SS**  trans-73.299.7163.500000108.2K213 H217K213-A215 PolarHBondContact O-N 3.33Å; K213-A215 VanDerWaalsContact O-N 3.11Å; A215-H217 PolarHBondContact O-N 3.47Å
216K49.7Very low45Very low154 Ų154155.6 Ų155.667%0.6779%0.793SS**  trans-80.592.8166.6-65.7-176.3-177.61780107.6R214R214-K216 HydrophobicContact CG-CG 3.99Å; R214-K216 PolarHBondContact O-N 3.16Å; R214-K216 VanDerWaalsContact O-N 3.15Å
217H45.9Very low44.7Very low156 Ų156155.7 Ų155.772%0.72279%0.794SS**  trans-109.178.9158.7-160.5-107.9000107.8A215 L219A215-H217 PolarHBondContact O-N 3.47Å; H217-L219 WeakPolarHBondContact CE1-CD1 3.43Å; H217-L219 PolarHBondContact O-N 3.05Å; H217-L219 VanDerWaalsContact O-N 3.16Å
218F44Very low44.3Very low186 Ų186160.3 Ų160.382%0.81680%0.798SS**  trans-67.6100.4162.9-114.2-102.8000106.1
219L54.2Low44.7Very low126 Ų126161.4 Ų161.466%0.6680%0.795SS**  trans-89.8102.8159.4-142.7101.5000105.7H217 L221H217-L219 WeakPolarHBondContact CE1-CD1 3.43Å; H217-L219 PolarHBondContact O-N 3.05Å; H217-L219 VanDerWaalsContact O-N 3.16Å; L219-L221 PolarHBondContact O-N 3.47Å
220E51.6Low44.9Very low160 Ų160161.3 Ų161.375%0.74879%0.789SS**  trans-55.2108.6166.5-87.4-177.1131.300108.6K222E220-K222 VanDerWaalsContact C-N 3.27Å; E220-K222 PolarHBondContact O-N 3.33Å; E220-K222 VanDerWaalsContact O-N 3.08Å
221L47.4Very low45.1Very low168 Ų168160.7 Ų160.788%0.8879%0.79SS**  trans-7588.5159.2-82.3154.5000107L219 S223L219-L221 PolarHBondContact O-N 3.47Å; L221-S223 PolarHBondContact O-N 3.29Å
222K46.8Very low45.2Very low184 Ų184158.3 Ų158.380%0.878%0.783SS**  trans-76.6101.2167.5-147.3165.6-173.2171.40107.5E220 F224E220-K222 VanDerWaalsContact C-N 3.27Å; E220-K222 PolarHBondContact O-N 3.33Å; E220-K222 VanDerWaalsContact O-N 3.08Å; K222-F224 PolarHBondContact O-N 2.99Å; K222-F224 VanDerWaalsContact O-N 3.15Å
223S45.9Very low45.2Very low102 Ų102157.8 Ų157.871%0.71378%0.779SS**  trans-52.2111.2172.551.70000110.2L221 K225L221-S223 PolarHBondContact O-N 3.29Å; S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.45Å; S223-K225 VanDerWaalsContact O-N 3.1Å
224F44.7Very low45Very low210 Ų210153.6 Ų153.692%0.92177%0.771SS**  trans-83.182.1169.9-150-91.1000108.2K222K222-F224 PolarHBondContact O-N 2.99Å; K222-F224 VanDerWaalsContact O-N 3.15Å
225K50.4Low45.1Very low169 Ų169155.9 Ų155.974%0.73580%0.796SS**  trans-128.2137.3165.1-164.289.5176.2-174.80105.3S223S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.45Å; S223-K225 VanDerWaalsContact O-N 3.1Å
226D44.1Very low45.1Very low135 Ų135158.8 Ų158.872%0.72280%0.795SS**  trans9192.3174.3-46.2-30.4000115.8
227N37.4Very low44.9Very low161 Ų161159 Ų15986%0.86180%0.802SS**  trans-157.181.6133.5-99.9-45.9000108.7
228Y38.3Very low44.8Very low217 Ų217159.2 Ų159.285%0.85181%0.806SS**  trans-101.1140.9153.8-95.3-85.9000107.8
229N41.7Very low44.8Very low136 Ų136157.6 Ų157.673%0.72781%0.806SS**  trans75.695.7163.2-59.7-14.5000118
230T45.5Very low44.3Very low120 Ų120159.6 Ų159.674%0.73682%0.815SS**  trans-14294.3132.2-33.60000108.4E232T230-E232 HydrophobicContact CG2-CG 4.34Å; T230-E232 PolarHBondContact O-N 3.44Å
231L47.6Very low43.8Very low168 Ų168159.5 Ų159.588%0.8882%0.819SS**  trans-70.796.9161.1-69.2170.7000106.7S233L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.34Å; L231-S233 VanDerWaalsContact O-N 3.08Å
232E41.9Very low43.5Very low163 Ų163158.9 Ų158.976%0.76282%0.815SS**  trans-77.687.8164.5-78.8-89.8151.200107.7T230T230-E232 HydrophobicContact CG2-CG 4.34Å; T230-E232 PolarHBondContact O-N 3.44Å
233S40.3Very low43.3Very low106 Ų106157 Ų15774%0.74182%0.816SS**  trans-78.1109.7150.5167.70000106.9L231L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.34Å; L231-S233 VanDerWaalsContact O-N 3.08Å
234T44Very low43Very low116 Ų116161.6 Ų161.671%0.71282%0.824SS**  trans-138.9125.8153.4-510000109.4
235L40.5Very low42.9Very low238 Ų238157.2 Ų157.2100%1.24682%0.816SS**  trans-48.80169.5-75.6148.3000113.6

Retrieved 235 of 235 residues in 41.4 ms (Link to these results)