A0A096MJ16_RAT Loading...

VPS37D subunit of ESCRT-I

Component of the ESCRT-I complex, a regulator of vesicular trafficking process. Required for the sorting of endocytic ubiquitinated cargos into multivesicular bodies. May be involved in cell growth and differentiation.

AlphaFold DB , UniProt , Accession A0A096MJ16, Species RAT (Rattus norvegicus, Rat), Gene Vps37d, Length 176 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
1M51.4Low53.5Low242 Ų242164 Ų164100%1.19287%0.872SS**  091.70-68.8-58.6-173.500109.3
2Y35.7Very low53.9Low243 Ų243163.8 Ų163.895%0.95386%0.862SS**PPolyproline II helixtrans-76.2126.7179.8-75-87.5000110.5
3R59.1Low54.3Low251 Ų251161.2 Ų161.295%0.94786%0.86SS**PPolyproline II helixtrans-85.5119.3175.3-154.3175.7-168.2175.83.1108.6
4A51.3Low54.3Low100 Ų100154.1 Ų154.183%0.82685%0.845SS**PPolyproline II helixtrans-60.4133.2-179.300000111.7A6A4-A6 PolarHBondContact O-N 3.45Å
5R56.6Low54.1Low246 Ų246150.9 Ų150.993%0.92884%0.838SS**  trans-76.5113.3173.4-170.3178.7-172.1-162.92.6108A7R5-A7 PolarHBondContact O-N 3.2Å
6A57.8Low54.4Low93 Ų93148.6 Ų148.677%0.76983%0.832SS**  trans-61.7119.6170.700000108.9A4 R8A4-A6 PolarHBondContact O-N 3.45Å; A6-R8 PolarHBondContact O-N 3.2Å
7A53.6Low54.5Low100 Ų100143 Ų14383%0.82682%0.815SS**  trans-60.5117.8172.400000108.4R5 A9R5-A7 PolarHBondContact O-N 3.2Å; A7-A9 PolarHBondContact O-N 3.21Å; A7-A9 VanDerWaalsContact O-N 3.11Å
8R52.2Low54.9Low245 Ų245146 Ų14693%0.92581%0.811SS**  trans-64.9110163.6-95.9-168.9157.5-166.2-5.1107A6 G10A6-R8 PolarHBondContact O-N 3.2Å; R8-G10 PolarHBondContact O-N 3.11Å
9A57Low54.8Low101 Ų101145.8 Ų145.884%0.83580%0.802SS**PPolyproline II helixtrans-52.2122.4162.900000107.9A7A7-A9 PolarHBondContact O-N 3.21Å; A7-A9 VanDerWaalsContact O-N 3.11Å
10G51.2Low55.1Low52 Ų52142.1 Ų142.154%0.53680%0.798SS.*PPolyproline II helixtrans-65.7158.3177.100000111R8 E12R8-G10 PolarHBondContact O-N 3.11Å; G10-E12 PolarHBondContact O-N 3.23Å
11P62.1Low56.1Low131 Ų131142 Ų14285%0.85179%0.794SS**PPolyproline II helixtrans-64.5120172.327-31.6000109.5P13P11-P13 WeakPolarHBondContact O-CD 3.47Å
12E58.9Low57.3Low161 Ų161133.4 Ų133.475%0.75275%0.753SS**PPolyproline II helixtrans-53.8120.6176.3-73.2-71.6118.100111.1G10 G14G10-E12 PolarHBondContact O-N 3.23Å; E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 2.97Å
13P59.3Low59.5Low130 Ų130124.9 Ų124.984%0.84473%0.729SS**THydrogen-bonded Turntrans-79.881.317632.6-32.3000109P11P11-P13 WeakPolarHBondContact O-CD 3.47Å
14G53.5Low60.5Low62 Ų62116.4 Ų116.464%0.63971%0.705SS**THydrogen-bonded Turntrans172.516.7-179.900000117E12 P16E12-G14 VanDerWaalsContact C-N 3.3Å; E12-G14 PolarHBondContact O-N 2.97Å; G14-P16 WeakPolarHBondContact O-CD 3.47Å; G14-P16 VanDerWaalsContact O-N 3.11Å
15S52.4Low61.8Low107 Ų107113 Ų11375%0.74868%0.68SS**  trans-67111.3173.1-79.40000109.4G17S15-G17 PolarHBondContact O-N 3.23Å
16P58.1Low63.2Low113 Ų113106.2 Ų106.273%0.73466%0.659SS**  trans-56130.2165.325-30.9000106.2G14 R18G14-P16 WeakPolarHBondContact O-CD 3.47Å; G14-P16 VanDerWaalsContact O-N 3.11Å; P16-R18 PolarHBondContact O-N 3.38Å
17G56.5Low64.4Low54 Ų54104.4 Ų104.456%0.55764%0.636SS**  trans-43.7136.7-175.300000110.5S15 F19 G20S15-G17 PolarHBondContact O-N 3.23Å; G17-F19 PolarHBondContact O-N 2.94Å; G17-G20 PolarHBondContact O-N 3.43Å
18R61.4Low65.7Low197 Ų197103.8 Ų103.874%0.74361%0.612SS**THydrogen-bonded Turntrans-54.83.5-169.882.2170.9-155.4-107.71.8116.5P16 I21P16-R18 PolarHBondContact O-N 3.38Å; R18-I21 WeakPolarHBondContact O-CG1 3.01Å
19F53.4Low67.2Low142 Ų14296 Ų9662%0.62359%0.589SS**THydrogen-bonded Turntrans-83.4-16.1174-56.1-74.2000112.7G17 I21 L22G17-F19 PolarHBondContact O-N 2.94Å; F19-I21 PolarHBondContact O-N 3.12Å; F19-L22 PolarHBondContact O-N 3.31Å
20G60.3Low68.3Low71 Ų7196.3 Ų96.373%0.73258%0.576SS**THydrogen-bonded Turntrans-71.5-7.8178.500000115.8G17G17-G20 PolarHBondContact O-N 3.43Å
21I77.3Confident69.4Low140 Ų14094.8 Ų94.872%0.71856%0.555SS**THydrogen-bonded Turntrans-91.2-10178.843.2165.2000113.7R18 F19R18-I21 WeakPolarHBondContact O-CG1 3.01Å; F19-I21 PolarHBondContact O-N 3.12Å
22L74.8Confident69.7Low63 Ų6392.2 Ų92.233%0.3353%0.532SS..SBendtrans-100.5131.3-175.8-60.7178.5000111.1F19 Q26 L27 L30F19-L22 PolarHBondContact O-N 3.31Å; L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-Q26 HydrophobicContact CD2-CB 4.25Å; L22-L27 HydrophobicContact CD1-CD1 4.17Å; L22-L30 HydrophobicContact CD1-CD2 4.25Å
23S82.2Confident70.6Confident63 Ų6388.2 Ų88.244%0.44152%0.516SS..  trans-65.6157.7166.6720000110.5G25 Q26 L27S23-G25 PolarHBondContact O-N 3.17Å; S23-G25 VanDerWaalsContact O-N 3.16Å; S23-Q26 PolarHBondContact O-N 3.4Å; S23-Q26 VanDerWaalsContact O-N 3.08Å; S23-Q26 WeakPolarHBondContact OG-CG 3.47Å; S23-Q26 PolarHBondContact OG-N 2.99Å; S23-L27 WeakPolarHBondContact O-CB 3.02Å; S23-L27 PolarHBondContact O-N 3.07Å
24T80.1Confident70.9Confident74 Ų7483.9 Ų83.945%0.45448%0.484SS..Hα-helixtrans-56.8-31.6175.5-44.50000112.3R28 L83 L87T24-R28 VanDerWaalsContact O-CB 3.29Å; T24-R28 WeakPolarHBondContact O-CB 3.34Å; T24-R28 PolarHBondContact O-N 2.93Å; T24-L83 HydrophobicContact CG2-CD1 3.77Å; T24-L87 HydrophobicContact CG2-CD2 3.96Å
25G80.1Confident71.8Confident29 Ų2985.5 Ų85.530%0.29948%0.483SS..Hα-helixtrans-67.7-47.4173.800000112.5S23 L27 R28 D29S23-G25 PolarHBondContact O-N 3.17Å; S23-G25 VanDerWaalsContact O-N 3.16Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 3.23Å; G25-R28 CarbonylContact O-C 3.56Å; G25-R28 WeakPolarHBondContact O-CA 3.32Å; G25-R28 VanDerWaalsContact O-CB 3.29Å; G25-R28 WeakPolarHBondContact O-CB 3.43Å; G25-R28 PolarHBondContact O-N 3.23Å; G25-R28 VanDerWaalsContact O-N 3.08Å; G25-D29 VanDerWaalsContact O-CG 3.24Å; G25-D29 PolarHBondContact O-N 3.5Å
26Q84.9Confident73.2Confident102 Ų10286.3 Ų86.348%0.47747%0.474SS..Hα-helixtrans-63.9-37.7176-71.5166.4-17.700112.4L22 S23 R28 D29 L30L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-Q26 HydrophobicContact CD2-CB 4.25Å; S23-Q26 PolarHBondContact O-N 3.4Å; S23-Q26 VanDerWaalsContact O-N 3.08Å; S23-Q26 WeakPolarHBondContact OG-CG 3.47Å; S23-Q26 PolarHBondContact OG-N 2.99Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; Q26-D29 PolarHBondContact O-N 3.39Å; Q26-L30 VanDerWaalsContact O-CB 3.29Å; Q26-L30 WeakPolarHBondContact O-CB 3.39Å; Q26-L30 PolarHBondContact O-N 2.88Å
27L82.6Confident74.3Confident55 Ų5582.8 Ų82.829%0.28845%0.448SS..Hα-helixtrans-63.8-42.9173.1-164.971.2000110L22 S23 G25 L31 L83L22-L27 HydrophobicContact CD1-CD1 4.17Å; S23-L27 WeakPolarHBondContact O-CB 3.02Å; S23-L27 PolarHBondContact O-N 3.07Å; G25-L27 VanDerWaalsContact C-N 3.32Å; G25-L27 PolarHBondContact O-N 3.23Å; L27-L31 HydrophobicContact CD1-CD1 3.79Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.6Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 3.45Å; L27-L83 HydrophobicContact CB-CD2 4.4Å; L27-L83 HydrophobicContact CD2-CD2 4.31Å; L27-L83 HydrophobicContact CG-CD2 4.21Å
28R81.4Confident75.5Confident87 Ų8782.5 Ų82.533%0.32843%0.434SS..Hα-helixtrans-59.9-49.6175.6-167.7-165.598.4-125.8-4.6111.2T24 G25 Q26 L30 L31 Q32 L83 L87T24-R28 VanDerWaalsContact O-CB 3.29Å; T24-R28 WeakPolarHBondContact O-CB 3.34Å; T24-R28 PolarHBondContact O-N 2.93Å; G25-R28 CarbonylContact O-C 3.56Å; G25-R28 WeakPolarHBondContact O-CA 3.32Å; G25-R28 VanDerWaalsContact O-CB 3.29Å; G25-R28 WeakPolarHBondContact O-CB 3.43Å; G25-R28 PolarHBondContact O-N 3.23Å; G25-R28 VanDerWaalsContact O-N 3.08Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3.08Å; R28-L31 CarbonylContact O-C 3.56Å; R28-L31 PolarHBondContact O-N 3.21Å; R28-Q32 HydrophobicContact CG-CG 3.93Å; R28-Q32 VanDerWaalsContact NE-NE2 3.15Å; R28-Q32 WeakPolarHBondContact O-CA 3.34Å; R28-Q32 WeakPolarHBondContact O-CB 3.08Å; R28-Q32 WeakPolarHBondContact O-CG 3.25Å; R28-Q32 PolarHBondContact O-N 3.39Å; R28-L83 VanDerWaalsContact CA-CD2 3.46Å; R28-L83 HydrophobicContact CB-CD2 3.96Å; R28-L83 HydrophobicContact CG-CD2 4.4Å; R28-L87 HydrophobicContact CB-CD1 4.06Å; R28-L87 HydrophobicContact CG-CD1 3.59Å
29D83.5Confident76.7Confident82 Ų8280.7 Ų80.744%0.43943%0.427SS..Hα-helixtrans-65.4-41.8-176.9-61.7-26.6000111.2G25 Q26 L31 Q32 D33G25-D29 VanDerWaalsContact O-CG 3.24Å; G25-D29 PolarHBondContact O-N 3.5Å; Q26-D29 PolarHBondContact O-N 3.39Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.31Å; D29-Q32 PolarHBondContact O-N 3.47Å; D29-D33 PolarHBondContact O-N 3.38Å; D29-D33 VanDerWaalsContact O-N 3.12Å
30L79.8Confident78.3Confident107 Ų10778.3 Ų78.356%0.5642%0.42SS*.Hα-helixtrans-65.1-35.2176.8-173.364.7000112.9L22 Q26 R28L22-L30 HydrophobicContact CD1-CD2 4.25Å; Q26-L30 VanDerWaalsContact O-CB 3.29Å; Q26-L30 WeakPolarHBondContact O-CB 3.39Å; Q26-L30 PolarHBondContact O-N 2.88Å; R28-L30 PolarHBondContact O-N 3.08Å
31L75.9Confident79.6Confident20 Ų2076 Ų7611%0.10539%0.391CS..Hα-helixtrans-85.1-25.2174.9-83.1123.8000113.2L27 R28 D29 E34 Q79 A80 L83L27-L31 HydrophobicContact CD1-CD1 3.79Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.6Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 3.45Å; R28-L31 CarbonylContact O-C 3.56Å; R28-L31 PolarHBondContact O-N 3.21Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.31Å; L31-E34 PolarHBondContact O-N 3.45Å; L31-Q79 HydrophobicContact CD2-CB 3.66Å; L31-A80 HydrophobicContact CB-CB 4.31Å; L31-A80 HydrophobicContact CD2-CB 4.16Å; L31-L83 HydrophobicContact CD1-CD2 4.26Å
32Q68.4Low80.1Confident78 Ų7876.3 Ų76.336%0.36438%0.384SS..Hα-helixtrans-79-17.9178.8-89.5-175.3-11.300113.1R28 D29 E34 P35R28-Q32 HydrophobicContact CG-CG 3.93Å; R28-Q32 VanDerWaalsContact NE-NE2 3.15Å; R28-Q32 WeakPolarHBondContact O-CA 3.34Å; R28-Q32 WeakPolarHBondContact O-CB 3.08Å; R28-Q32 WeakPolarHBondContact O-CG 3.25Å; R28-Q32 PolarHBondContact O-N 3.39Å; D29-Q32 PolarHBondContact O-N 3.47Å; Q32-E34 PolarHBondContact O-N 2.92Å; Q32-P35 WeakPolarHBondContact O-CD 3.19Å
33D76.5Confident81Confident77 Ų7777.5 Ų77.541%0.41239%0.39SS..  trans-62.427157.6-91.8-7.1000112.4D29 P35 K36 L37D29-D33 PolarHBondContact O-N 3.38Å; D29-D33 VanDerWaalsContact O-N 3.12Å; D33-P35 VanDerWaalsContact C-CD 3.43Å; D33-K36 HydrophobicContact CB-CB 4.28Å; D33-K36 CarbonylContact O-C 3.52Å; D33-K36 WeakPolarHBondContact O-CA 3.26Å; D33-K36 VanDerWaalsContact O-CB 3.31Å; D33-K36 WeakPolarHBondContact O-CB 3.42Å; D33-K36 PolarHBondContact O-N 2.83Å; D33-K36 IonicContact OD2-NZ 3.41Å; D33-L37 PolarHBondContact O-N 3.09Å
34E66.1Low81.4Confident39 Ų3977.2 Ų77.218%0.18239%0.388CS..Hα-helixtrans-42-50.7168.8-107.6-74.9137.200113.1L31 Q32 K36 L37 D38 R77 A80L31-E34 PolarHBondContact O-N 3.45Å; Q32-E34 PolarHBondContact O-N 2.92Å; E34-K36 PolarHBondContact O-N 3.45Å; E34-L37 PolarHBondContact O-N 2.93Å; E34-D38 WeakPolarHBondContact O-CA 3.48Å; E34-D38 WeakPolarHBondContact O-CB 2.88Å; E34-D38 PolarHBondContact O-N 2.96Å; E34-R77 WeakPolarHBondContact OE1-CA 3.46Å; E34-A80 HydrophobicContact CG-CB 4.23Å
35P72.6Confident81.9Confident95 Ų9577.6 Ų77.662%0.61738%0.381SS*.Hα-helixtrans-63.5-29.3179.424.8-34.2000112.2Q32 D33 R39Q32-P35 WeakPolarHBondContact O-CD 3.19Å; D33-P35 VanDerWaalsContact C-CD 3.43Å; P35-R39 WeakPolarHBondContact O-CB 3.35Å; P35-R39 PolarHBondContact O-N 3.5Å
36K82.3Confident82.6Confident125 Ų12582.1 Ų82.154%0.54339%0.392SS..Hα-helixtrans-77.7-44.7176.4-176.8-177.4178.9-1780111.2D33 E34 R39 I40D33-K36 HydrophobicContact CB-CB 4.28Å; D33-K36 CarbonylContact O-C 3.52Å; D33-K36 WeakPolarHBondContact O-CA 3.26Å; D33-K36 VanDerWaalsContact O-CB 3.31Å; D33-K36 WeakPolarHBondContact O-CB 3.42Å; D33-K36 PolarHBondContact O-N 2.83Å; D33-K36 IonicContact OD2-NZ 3.41Å; E34-K36 PolarHBondContact O-N 3.45Å; K36-R39 PolarHBondContact O-N 3.1Å; K36-I40 HydrophobicContact CG-CD1 4.15Å; K36-I40 WeakPolarHBondContact O-CB 3.42Å; K36-I40 WeakPolarHBondContact O-CD1 3.2Å; K36-I40 WeakPolarHBondContact O-CG1 3.36Å; K36-I40 PolarHBondContact O-N 3.36Å
37L79.5Confident83Confident39 Ų3980.5 Ų80.520%0.20439%0.389CS..Hα-helixtrans-65.1-44.6175.9-69.9175.9000111.6D33 E34 R39 I40 V41D33-L37 PolarHBondContact O-N 3.09Å; E34-L37 PolarHBondContact O-N 2.93Å; L37-R39 VanDerWaalsContact C-N 3.35Å; L37-I40 PolarHBondContact O-N 3.46Å; L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 2.84Å
38D81.8Confident83.5Confident47 Ų4779.8 Ų79.825%0.25139%0.385SS..Hα-helixtrans-62.3-43173.8-174.386.6000110.5E34 I40 V41 R42 R77E34-D38 WeakPolarHBondContact O-CA 3.48Å; E34-D38 WeakPolarHBondContact O-CB 2.88Å; E34-D38 PolarHBondContact O-N 2.96Å; D38-I40 PolarHBondContact O-N 3.42Å; D38-V41 PolarHBondContact O-N 3.44Å; D38-R42 WeakPolarHBondContact O-CB 3.35Å; D38-R42 PolarHBondContact O-N 3.22Å; D38-R42 IonicContact OD2-CZ 3.88Å; D38-R42 IonicContact OD2-NE 3.8Å; D38-R42 PolarHBondContact OD2-NE 2.89Å; D38-R42 IonicContact OD2-NH2 3.97Å; D38-R42 PolarHBondContact OD2-NH2 3.03Å; D38-R77 IonicContact OD1-NH1 3.12Å
39R87.4Confident84.2Confident160 Ų16079 Ų7960%0.60439%0.385SS*.Hα-helixtrans-60.2-44.8172.9-176.4175-173.5-151.91.1111.8P35 K36 L37 R42 L43P35-R39 WeakPolarHBondContact O-CB 3.35Å; P35-R39 PolarHBondContact O-N 3.5Å; K36-R39 PolarHBondContact O-N 3.1Å; L37-R39 VanDerWaalsContact C-N 3.35Å; R39-R42 PolarHBondContact O-N 2.93Å; R39-L43 HydrophobicContact CG-CD1 3.81Å; R39-L43 HydrophobicContact CG-CG 4.25Å; R39-L43 VanDerWaalsContact O-CB 3.29Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 WeakPolarHBondContact O-CG 3.29Å; R39-L43 PolarHBondContact O-N 2.63Å
40I86.6Confident84.8Confident92 Ų9279.1 Ų79.147%0.47238%0.383SS..Hα-helixtrans-62-48.2177.1-71.3162.5000110.6K36 L37 D38 R42 L43 S44K36-I40 HydrophobicContact CG-CD1 4.15Å; K36-I40 WeakPolarHBondContact O-CB 3.42Å; K36-I40 WeakPolarHBondContact O-CD1 3.2Å; K36-I40 WeakPolarHBondContact O-CG1 3.36Å; K36-I40 PolarHBondContact O-N 3.36Å; L37-I40 PolarHBondContact O-N 3.46Å; D38-I40 PolarHBondContact O-N 3.42Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.21Å; I40-L43 PolarHBondContact O-N 2.87Å; I40-S44 WeakPolarHBondContact O-CB 3.48Å; I40-S44 PolarHBondContact O-N 3.27Å
41V88.1Confident85.6Confident21 Ų2177 Ų7713%0.12737%0.37CS..Hα-helixtrans-60.4-44.6177.7166.80000110.7L37 D38 S44 R45 A73L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å; L37-V41 PolarHBondContact O-N 2.84Å; D38-V41 PolarHBondContact O-N 3.44Å; V41-S44 PolarHBondContact O-N 3.48Å; V41-R45 VanDerWaalsContact O-CB 3.31Å; V41-R45 WeakPolarHBondContact O-CB 3.46Å; V41-R45 PolarHBondContact O-N 2.9Å; V41-A73 HydrophobicContact CB-CB 4.49Å; V41-A73 HydrophobicContact CG1-CB 3.68Å; V41-A73 HydrophobicContact CG2-CB 4.2Å
42R88.5Confident86.6Confident148 Ų14878 Ų7856%0.55838%0.376SS*.Hα-helixtrans-66.3-44.8-178.8-167.2-165.8-36.9164.28.9111.6D38 R39 I40 R45 K46D38-R42 WeakPolarHBondContact O-CB 3.35Å; D38-R42 PolarHBondContact O-N 3.22Å; D38-R42 IonicContact OD2-CZ 3.88Å; D38-R42 IonicContact OD2-NE 3.8Å; D38-R42 PolarHBondContact OD2-NE 2.89Å; D38-R42 IonicContact OD2-NH2 3.97Å; D38-R42 PolarHBondContact OD2-NH2 3.03Å; R39-R42 PolarHBondContact O-N 2.93Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.21Å; R42-R45 PolarHBondContact O-N 2.96Å; R42-K46 WeakPolarHBondContact O-CB 3.29Å; R42-K46 PolarHBondContact O-N 3.33Å
43L92.3Very high88Confident87 Ų8780.9 Ų80.946%0.45539%0.393SS..Hα-helixtrans-64.7-44.2175.8-71.3173.7000110.9R39 I40 R45 K46 V47R39-L43 HydrophobicContact CG-CD1 3.81Å; R39-L43 HydrophobicContact CG-CG 4.25Å; R39-L43 VanDerWaalsContact O-CB 3.29Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 WeakPolarHBondContact O-CG 3.29Å; R39-L43 PolarHBondContact O-N 2.63Å; I40-L43 PolarHBondContact O-N 2.87Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.45Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-K46 VanDerWaalsContact O-N 3.17Å; L43-V47 WeakPolarHBondContact O-CB 3.45Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.37Å
44S90.8Very high89Confident58 Ų5883.2 Ų83.241%0.40641%0.405SS..Hα-helixtrans-61.3-40.2176.7-1680000111.5I40 V41 Q48I40-S44 WeakPolarHBondContact O-CB 3.48Å; I40-S44 PolarHBondContact O-N 3.27Å; V41-S44 PolarHBondContact O-N 3.48Å; S44-Q48 WeakPolarHBondContact O-CB 3.32Å; S44-Q48 VanDerWaalsContact O-CG 3.26Å; S44-Q48 WeakPolarHBondContact O-CG 3.31Å; S44-Q48 PolarHBondContact O-N 3.41Å
45R91.7Very high90.4Very high81 Ų8184.3 Ų84.331%0.30643%0.427SS..Hα-helixtrans-64.9-43.3173.5-167.3-170.3-58.7-169.94.5112.3V41 R42 L43 Q48 M49 F66V41-R45 VanDerWaalsContact O-CB 3.31Å; V41-R45 WeakPolarHBondContact O-CB 3.46Å; V41-R45 PolarHBondContact O-N 2.9Å; R42-R45 PolarHBondContact O-N 2.96Å; L43-R45 VanDerWaalsContact C-N 3.3Å; L43-R45 PolarHBondContact O-N 3.45Å; R45-Q48 PolarHBondContact O-N 3.29Å; R45-M49 VanDerWaalsContact O-CB 3.32Å; R45-M49 WeakPolarHBondContact O-CB 3.49Å; R45-M49 PolarHBondContact O-N 2.96Å; R45-F66 HydrophobicContact CG-CD2 3.88Å; R45-F66 HydrophobicContact CG-CE2 3.42Å; R45-F66 VanDerWaalsContact CG-CE2 3.42Å; R45-F66 HydrophobicContact CG-CZ 4.43Å
46K93.3Very high91.5Very high125 Ų12586.7 Ų86.754%0.54343%0.429SS..Hα-helixtrans-60.1-49.1178.3-177.9176.6171.9179.40110.3R42 L43 Q48 M49 E50R42-K46 WeakPolarHBondContact O-CB 3.29Å; R42-K46 PolarHBondContact O-N 3.33Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-K46 VanDerWaalsContact O-N 3.17Å; K46-Q48 PolarHBondContact O-N 2.88Å; K46-M49 PolarHBondContact O-N 3.13Å; K46-E50 WeakPolarHBondContact CE-OE1 3Å; K46-E50 IonicContact NZ-OE1 2.76Å; K46-E50 WeakPolarHBondContact O-CG 3.21Å; K46-E50 PolarHBondContact O-N 3.25Å
47V94.3Very high92.2Very high67 Ų6782.4 Ų82.441%0.40641%0.411SS..Hα-helixtrans-61.7-44.9177.8169.30000111.8L43 M49 E50 Q51L43-V47 WeakPolarHBondContact O-CB 3.45Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.37Å; V47-M49 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 2.89Å; V47-E50 PolarHBondContact O-N 2.84Å; V47-Q51 WeakPolarHBondContact O-CG 3.41Å; V47-Q51 PolarHBondContact O-N 3.26Å
48Q92.9Very high93Very high41 Ų4184 Ų8419%0.19243%0.426CS..Hα-helixtrans-63-38.1176-74.8173.69.600112.5S44 R45 K46 L52 F62S44-Q48 WeakPolarHBondContact O-CB 3.32Å; S44-Q48 VanDerWaalsContact O-CG 3.26Å; S44-Q48 WeakPolarHBondContact O-CG 3.31Å; S44-Q48 PolarHBondContact O-N 3.41Å; R45-Q48 PolarHBondContact O-N 3.29Å; K46-Q48 PolarHBondContact O-N 2.88Å; Q48-L52 PolarHBondContact O-N 3.45Å; Q48-L52 VanDerWaalsContact O-N 3.08Å; Q48-F62 HydrophobicContact CB-CD2 4.33Å; Q48-F62 HydrophobicContact CB-CE2 4.19Å
49M95.8Very high93.8Very high69 Ų6986.4 Ų86.434%0.3444%0.438SS..Hα-helixtrans-68.3-43176.9-171.364.970.900111.3R45 K46 V47 Q51 L52 L53 F62 F66R45-M49 VanDerWaalsContact O-CB 3.32Å; R45-M49 WeakPolarHBondContact O-CB 3.49Å; R45-M49 PolarHBondContact O-N 2.96Å; K46-M49 PolarHBondContact O-N 3.13Å; V47-M49 VanDerWaalsContact C-N 3.32Å; V47-M49 PolarHBondContact O-N 2.89Å; M49-Q51 PolarHBondContact O-N 2.84Å; M49-L52 PolarHBondContact O-N 2.79Å; M49-L52 HydrophobicContact SD-CD2 4.32Å; M49-L53 HydrophobicContact CG-CD1 4.14Å; M49-L53 HydrophobicContact CG-CG 4.44Å; M49-L53 VanDerWaalsContact O-CG 3.29Å; M49-L53 WeakPolarHBondContact O-CG 3.18Å; M49-L53 PolarHBondContact O-N 2.88Å; M49-F62 HydrophobicContact CE-CE2 4.4Å; M49-F62 HydrophobicContact CE-CZ 3.79Å; M49-F62 HydrophobicContact SD-CZ 4.23Å; M49-F66 HydrophobicContact CE-CE2 4.18Å
50E96.7Very high94.2Very high85 Ų8586 Ų8640%0.39744%0.443SS..Hα-helixtrans-60-45.7175.9-74.5169.3173.700111.1K46 V47 L52 L53 L54K46-E50 WeakPolarHBondContact CE-OE1 3Å; K46-E50 IonicContact NZ-OE1 2.76Å; K46-E50 WeakPolarHBondContact O-CG 3.21Å; K46-E50 PolarHBondContact O-N 3.25Å; V47-E50 PolarHBondContact O-N 2.84Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.37Å; E50-L53 PolarHBondContact O-N 3.36Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.45Å
51Q96.4Very high94.6Very high62 Ų6284.1 Ų84.129%0.2944%0.441SS..Hα-helixtrans-60.3-39175.2-72.4170.130.200112.8V47 M49 G55 E56 Q57V47-Q51 WeakPolarHBondContact O-CG 3.41Å; V47-Q51 PolarHBondContact O-N 3.26Å; M49-Q51 PolarHBondContact O-N 2.84Å; Q51-G55 PolarHBondContact O-N 3.17Å; Q51-E56 HydrophobicContact CB-CB 4.27Å; Q51-E56 PolarHBondContact O-N 3.39Å; Q51-Q57 HydrophobicContact CB-CB 4.01Å; Q51-Q57 PolarHBondContact O-N 3.37Å; Q51-Q57 VanDerWaalsContact O-N 3.17Å
52L96.8Very high95Very high42 Ų4283.7 Ų83.722%0.2244%0.438CS..Hα-helixtrans-65.4-46175.1179.369.9000111.4Q48 M49 E50 L54 G55 L59 F62Q48-L52 PolarHBondContact O-N 3.45Å; Q48-L52 VanDerWaalsContact O-N 3.08Å; M49-L52 PolarHBondContact O-N 2.79Å; M49-L52 HydrophobicContact SD-CD2 4.32Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.37Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.86Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-G55 VanDerWaalsContact O-N 3.07Å; L52-L59 HydrophobicContact CD1-CD1 4.35Å; L52-L59 HydrophobicContact CD2-CD1 4.48Å; L52-F62 HydrophobicContact CB-CD2 4.06Å; L52-F62 HydrophobicContact CB-CE2 4.43Å; L52-F62 HydrophobicContact CB-CG 4.43Å; L52-F62 HydrophobicContact CD1-CB 4.09Å; L52-F62 HydrophobicContact CD1-CG 4.26Å; L52-F62 HydrophobicContact CD2-CD1 3.75Å; L52-F62 HydrophobicContact CD2-CD2 3.99Å; L52-F62 HydrophobicContact CD2-CE1 3.84Å; L52-F62 HydrophobicContact CD2-CE2 4.08Å; L52-F62 HydrophobicContact CD2-CG 3.83Å; L52-F62 HydrophobicContact CD2-CZ 4Å; L52-F62 HydrophobicContact CG-CD2 4.48Å; L52-F62 HydrophobicContact CG-CG 4.4Å
53L97.3Very high95.4Very high138 Ų13879.8 Ų79.872%0.72343%0.427SS*.Hα-helixtrans-66.9-32.3-178.3-69.5174.1000112.8M49 E50 G55M49-L53 HydrophobicContact CG-CD1 4.14Å; M49-L53 HydrophobicContact CG-CG 4.44Å; M49-L53 VanDerWaalsContact O-CG 3.29Å; M49-L53 WeakPolarHBondContact O-CG 3.18Å; M49-L53 PolarHBondContact O-N 2.88Å; E50-L53 PolarHBondContact O-N 3.36Å; L53-G55 VanDerWaalsContact C-N 3.26Å
54L97.6Very high95.5Very high127 Ų12778.1 Ų78.167%0.66542%0.422SS*.THydrogen-bonded Turntrans-79.7-7.1173.8-67.9168.9000112.9E50 L52 E56E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.45Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.86Å; L54-E56 HydrophobicContact CB-CG 4.02Å; L54-E56 PolarHBondContact O-N 2.83Å
55G96.1Very high95.6Very high62 Ų6276.3 Ų76.364%0.63941%0.41SS*.THydrogen-bonded Turntrans74.28.7-176.300000114.4Q51 L52 L53 Q57Q51-G55 PolarHBondContact O-N 3.17Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-G55 VanDerWaalsContact O-N 3.07Å; L53-G55 VanDerWaalsContact C-N 3.26Å; G55-Q57 PolarHBondContact O-N 2.84Å
56E96.6Very high95.7Very high144 Ų14474.3 Ų74.367%0.67340%0.404SS*.SBendtrans-70.1-19.8175.5-63-178.7175.800112.4Q51 L54Q51-E56 HydrophobicContact CB-CB 4.27Å; Q51-E56 PolarHBondContact O-N 3.39Å; L54-E56 HydrophobicContact CB-CG 4.02Å; L54-E56 PolarHBondContact O-N 2.83Å
57Q95.8Very high95.7Very high35 Ų3574.1 Ų74.116%0.16441%0.405CS..SBendtrans-127.1134.6177.4-173.3174.2107.400110.8Q51 G55 A61 F62Q51-Q57 HydrophobicContact CB-CB 4.01Å; Q51-Q57 PolarHBondContact O-N 3.37Å; Q51-Q57 VanDerWaalsContact O-N 3.17Å; G55-Q57 PolarHBondContact O-N 2.84Å; Q57-A61 HydrophobicContact CG-CB 4.05Å; Q57-F62 HydrophobicContact CG-CB 4.32Å
58S97.2Very high95.7Very high74 Ų7478.6 Ų78.652%0.51742%0.415SS..  trans-73.6152.1173.865.10000111.7E60 A61 F62S58-E60 VanDerWaalsContact C-N 3.25Å; S58-E60 PolarHBondContact O-N 3.26Å; S58-A61 PolarHBondContact O-N 3.49Å; S58-A61 VanDerWaalsContact O-N 3.12Å; S58-A61 WeakPolarHBondContact OG-CB 3.37Å; S58-A61 PolarHBondContact OG-N 3.46Å; S58-F62 WeakPolarHBondContact O-CB 3.27Å; S58-F62 PolarHBondContact O-N 3.32Å
59L97Very high95.6Very high96 Ų9678 Ų7850%0.50342%0.42SS..Hα-helixtrans-59.3-37.9177.4-173.964.3000112.3L52 A61 F62 L63L52-L59 HydrophobicContact CD1-CD1 4.35Å; L52-L59 HydrophobicContact CD2-CD1 4.48Å; L59-A61 VanDerWaalsContact C-N 3.31Å; L59-A61 PolarHBondContact O-N 2.96Å; L59-F62 HydrophobicContact CD1-CD1 4.22Å; L59-F62 PolarHBondContact O-N 3.4Å; L59-L63 HydrophobicContact CD1-CD1 4.1Å; L59-L63 HydrophobicContact CD1-CD2 4.23Å; L59-L63 HydrophobicContact CD1-CG 3.84Å; L59-L63 HydrophobicContact CD2-CD1 4.38Å; L59-L63 HydrophobicContact CG-CD1 3.89Å; L59-L63 HydrophobicContact CG-CG 4.08Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 3.18Å
60E97.2Very high95.4Very high152 Ų15280.2 Ų80.271%0.7142%0.424SS*.Hα-helixtrans-63-33.9176.9-72.6-59.6141.200112.9S58 P64S58-E60 VanDerWaalsContact C-N 3.25Å; S58-E60 PolarHBondContact O-N 3.26Å; E60-P64 WeakPolarHBondContact O-CD 3.48Å; E60-P64 WeakPolarHBondContact O-CG 3.35Å
61A94.4Very high95.2Very high52 Ų5279.1 Ų79.143%0.4343%0.429SS..Hα-helixtrans-78.7-37173.400000112Q57 S58 L59Q57-A61 HydrophobicContact CG-CB 4.05Å; S58-A61 PolarHBondContact O-N 3.49Å; S58-A61 VanDerWaalsContact O-N 3.12Å; S58-A61 WeakPolarHBondContact OG-CB 3.37Å; S58-A61 PolarHBondContact OG-N 3.46Å; L59-A61 VanDerWaalsContact C-N 3.31Å; L59-A61 PolarHBondContact O-N 2.96Å
62F96.4Very high94.8Very high12 Ų1279.6 Ų79.65%0.05343%0.434CS..Hα-helixtrans-66.6-53.2-178.1172.6-96.2000113.1Q48 M49 L52 Q57 S58 L59 A65 F66Q48-F62 HydrophobicContact CB-CD2 4.33Å; Q48-F62 HydrophobicContact CB-CE2 4.19Å; M49-F62 HydrophobicContact CE-CE2 4.4Å; M49-F62 HydrophobicContact CE-CZ 3.79Å; M49-F62 HydrophobicContact SD-CZ 4.23Å; L52-F62 HydrophobicContact CB-CD2 4.06Å; L52-F62 HydrophobicContact CB-CE2 4.43Å; L52-F62 HydrophobicContact CB-CG 4.43Å; L52-F62 HydrophobicContact CD1-CB 4.09Å; L52-F62 HydrophobicContact CD1-CG 4.26Å; L52-F62 HydrophobicContact CD2-CD1 3.75Å; L52-F62 HydrophobicContact CD2-CD2 3.99Å; L52-F62 HydrophobicContact CD2-CE1 3.84Å; L52-F62 HydrophobicContact CD2-CE2 4.08Å; L52-F62 HydrophobicContact CD2-CG 3.83Å; L52-F62 HydrophobicContact CD2-CZ 4Å; L52-F62 HydrophobicContact CG-CD2 4.48Å; L52-F62 HydrophobicContact CG-CG 4.4Å; Q57-F62 HydrophobicContact CG-CB 4.32Å; S58-F62 WeakPolarHBondContact O-CB 3.27Å; S58-F62 PolarHBondContact O-N 3.32Å; L59-F62 HydrophobicContact CD1-CD1 4.22Å; L59-F62 PolarHBondContact O-N 3.4Å; F62-A65 PolarHBondContact O-N 3.08Å; F62-A65 VanDerWaalsContact O-N 3.1Å; F62-F66 HydrophobicContact CD1-CB 4.32Å; F62-F66 HydrophobicContact CE1-CB 3.91Å; F62-F66 HydrophobicContact CE1-CD2 4.17Å; F62-F66 AromaticContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE2-CB 4.12Å; F62-F66 AromaticContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CG 4.3Å; F62-F66 HydrophobicContact CZ-CB 3.8Å; F62-F66 AromaticContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CE2 4.03Å; F62-F66 AromaticContact CZ-CG 3.67Å; F62-F66 HydrophobicContact CZ-CG 3.67Å; F62-F66 WeakPolarHBondContact O-CB 3.47Å; F62-F66 PolarHBondContact O-N 3.08Å
63L96.4Very high94.4Very high66 Ų6678.5 Ų78.535%0.34643%0.431SS..Hα-helixtrans-56.8-48.3-169.9-74.9174.3000112.7L59 A65 F66 Q67L59-L63 HydrophobicContact CD1-CD1 4.1Å; L59-L63 HydrophobicContact CD1-CD2 4.23Å; L59-L63 HydrophobicContact CD1-CG 3.84Å; L59-L63 HydrophobicContact CD2-CD1 4.38Å; L59-L63 HydrophobicContact CG-CD1 3.89Å; L59-L63 HydrophobicContact CG-CG 4.08Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 3.18Å; L63-A65 PolarHBondContact O-N 2.87Å; L63-F66 PolarHBondContact O-N 2.98Å; L63-Q67 WeakPolarHBondContact O-CB 3.29Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.42Å
64P95.3Very high94.2Very high52 Ų5276.4 Ų76.434%0.33842%0.417SS..Hα-helixtrans-64.4-38.7178.1-21.634.6000112.6E60 R68E60-P64 WeakPolarHBondContact O-CD 3.48Å; E60-P64 WeakPolarHBondContact O-CG 3.35Å; P64-R68 VanDerWaalsContact CB-NH1 3.27Å; P64-R68 WeakPolarHBondContact O-CB 3.09Å; P64-R68 VanDerWaalsContact O-CG 3.25Å; P64-R68 WeakPolarHBondContact O-CG 3.41Å; P64-R68 PolarHBondContact O-N 2.91Å; P64-R68 VanDerWaalsContact O-N 3.09Å; P64-R68 PolarHBondContact O-NH1 3.01Å
65A91.6Very high93.9Very high20 Ų2074.7 Ų74.717%0.16541%0.408CS..Hα-helixtrans-67.2-45.3179.100000111.8F62 L63 R68 G69F62-A65 PolarHBondContact O-N 3.08Å; F62-A65 VanDerWaalsContact O-N 3.1Å; L63-A65 PolarHBondContact O-N 2.87Å; A65-R68 PolarHBondContact O-N 3.42Å; A65-G69 PolarHBondContact O-N 3.16Å
66F93.7Very high93.4Very high40 Ų4075.6 Ų75.618%0.17539%0.392CS..Hα-helixtrans-63.5-46178.6-178-91.8000111.9R45 M49 F62 L63 G69 R70R45-F66 HydrophobicContact CG-CD2 3.88Å; R45-F66 HydrophobicContact CG-CE2 3.42Å; R45-F66 VanDerWaalsContact CG-CE2 3.42Å; R45-F66 HydrophobicContact CG-CZ 4.43Å; M49-F66 HydrophobicContact CE-CE2 4.18Å; F62-F66 HydrophobicContact CD1-CB 4.32Å; F62-F66 HydrophobicContact CE1-CB 3.91Å; F62-F66 HydrophobicContact CE1-CD2 4.17Å; F62-F66 AromaticContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE1-CG 3.98Å; F62-F66 HydrophobicContact CE2-CB 4.12Å; F62-F66 AromaticContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CD2 3.88Å; F62-F66 HydrophobicContact CE2-CG 4.3Å; F62-F66 HydrophobicContact CZ-CB 3.8Å; F62-F66 AromaticContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CD2 3.4Å; F62-F66 HydrophobicContact CZ-CE2 4.03Å; F62-F66 AromaticContact CZ-CG 3.67Å; F62-F66 HydrophobicContact CZ-CG 3.67Å; F62-F66 WeakPolarHBondContact O-CB 3.47Å; F62-F66 PolarHBondContact O-N 3.08Å; L63-F66 PolarHBondContact O-N 2.98Å; F66-G69 PolarHBondContact O-N 3.49Å; F66-R70 WeakPolarHBondContact O-CB 3.39Å; F66-R70 PolarHBondContact O-N 2.66Å
67Q94.9Very high92.9Very high121 Ų12174.1 Ų74.157%0.56538%0.38SS*.Hα-helixtrans-62.7-45.1178.1-72.2175.625.900111.6L63 G69 R70 A71L63-Q67 WeakPolarHBondContact O-CB 3.29Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.42Å; Q67-G69 PolarHBondContact O-N 2.84Å; Q67-R70 PolarHBondContact O-N 3.02Å; Q67-A71 WeakPolarHBondContact O-CB 3.44Å; Q67-A71 PolarHBondContact O-N 3.07Å
68R93.2Very high92.7Very high160 Ų16075.9 Ų75.960%0.60439%0.393SS*.Hα-helixtrans-59.7-46.9174.8-75.7-172.1-57.2-95.13.1111.7P64 A65 R70 A71 L72P64-R68 VanDerWaalsContact CB-NH1 3.27Å; P64-R68 WeakPolarHBondContact O-CB 3.09Å; P64-R68 VanDerWaalsContact O-CG 3.25Å; P64-R68 WeakPolarHBondContact O-CG 3.41Å; P64-R68 PolarHBondContact O-N 2.91Å; P64-R68 VanDerWaalsContact O-N 3.09Å; P64-R68 PolarHBondContact O-NH1 3.01Å; A65-R68 PolarHBondContact O-N 3.42Å; R68-R70 VanDerWaalsContact C-N 3.3Å; R68-R70 PolarHBondContact O-N 3.13Å; R68-A71 PolarHBondContact O-N 3.27Å; R68-L72 WeakPolarHBondContact O-CB 3.5Å; R68-L72 PolarHBondContact O-N 3.49Å
69G90.5Very high92.2Very high29 Ų2976.9 Ų76.930%0.29939%0.39SS..Hα-helixtrans-59.3-42.1177.700000112.1A65 F66 Q67 A73A65-G69 PolarHBondContact O-N 3.16Å; F66-G69 PolarHBondContact O-N 3.49Å; Q67-G69 PolarHBondContact O-N 2.84Å; G69-A73 WeakPolarHBondContact O-CB 3.13Å; G69-A73 PolarHBondContact O-N 3.31Å; G69-A73 VanDerWaalsContact O-N 3.13Å
70R92.1Very high91.6Very high116 Ų11672.5 Ų72.544%0.43837%0.368SS..Hα-helixtrans-66.2-48176.9-172.5176.9-176.5112.61.3112.3F66 Q67 R68 L72 A73 H74F66-R70 WeakPolarHBondContact O-CB 3.39Å; F66-R70 PolarHBondContact O-N 2.66Å; Q67-R70 PolarHBondContact O-N 3.02Å; R68-R70 VanDerWaalsContact C-N 3.3Å; R68-R70 PolarHBondContact O-N 3.13Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-L72 PolarHBondContact O-N 3.12Å; R70-A73 PolarHBondContact O-N 3.33Å; R70-H74 PolarHBondContact O-CD2 2.96Å; R70-H74 PolarHBondContact O-N 2.73Å; R70-H74 VanDerWaalsContact O-N 3.13Å
71A92.6Very high91.2Very high61 Ų6169.9 Ų69.950%0.50436%0.356SS..Hα-helixtrans-59.6-45.2178.600000111.6Q67 R68 A73 H74 L75Q67-A71 WeakPolarHBondContact O-CB 3.44Å; Q67-A71 PolarHBondContact O-N 3.07Å; R68-A71 PolarHBondContact O-N 3.27Å; A71-A73 VanDerWaalsContact C-N 3.32Å; A71-A73 PolarHBondContact O-N 3.42Å; A71-H74 PolarHBondContact O-N 3.29Å; A71-L75 WeakPolarHBondContact O-CB 3.12Å; A71-L75 PolarHBondContact O-N 2.76Å
72L88.9Confident91.1Very high73 Ų7373 Ų7338%0.38236%0.359SS..Hα-helixtrans-62.5-38.5178.6-177.361.9000112.5R68 R70 L75 R76R68-L72 WeakPolarHBondContact O-CB 3.5Å; R68-L72 PolarHBondContact O-N 3.49Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-L72 PolarHBondContact O-N 3.12Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-R76 HydrophobicContact CD1-CG 4.49Å; L72-R76 WeakPolarHBondContact O-CG 3.5Å; L72-R76 PolarHBondContact O-N 3.29Å
73A88.1Confident90.6Very high18 Ų1873.5 Ų73.515%0.14936%0.362CS..Hα-helixtrans-64-46.4176.900000111.9V41 G69 R70 A71 L75 R76 R77V41-A73 HydrophobicContact CB-CB 4.49Å; V41-A73 HydrophobicContact CG1-CB 3.68Å; V41-A73 HydrophobicContact CG2-CB 4.2Å; G69-A73 WeakPolarHBondContact O-CB 3.13Å; G69-A73 PolarHBondContact O-N 3.31Å; G69-A73 VanDerWaalsContact O-N 3.13Å; R70-A73 PolarHBondContact O-N 3.33Å; A71-A73 VanDerWaalsContact C-N 3.32Å; A71-A73 PolarHBondContact O-N 3.42Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.1Å; A73-R76 PolarHBondContact O-N 3.44Å; A73-R77 PolarHBondContact O-N 2.78Å
74H92.8Very high90.2Very high95 Ų9574.9 Ų74.944%0.4437%0.367SS..Hα-helixtrans-62.5-43.2176.3-73.7-64.2000111.7R70 A71 R76 R77 T78R70-H74 PolarHBondContact O-CD2 2.96Å; R70-H74 PolarHBondContact O-N 2.73Å; R70-H74 VanDerWaalsContact O-N 3.13Å; A71-H74 PolarHBondContact O-N 3.29Å; H74-R76 PolarHBondContact O-N 3.2Å; H74-R77 PolarHBondContact O-N 3.47Å; H74-T78 PolarHBondContact O-N 2.94Å; H74-T78 PolarHBondContact O-OG1 3.46Å; H74-T78 VanDerWaalsContact O-OG1 3.12Å
75L90.3Very high90.1Very high90 Ų9075.4 Ų75.447%0.47137%0.365SS..Hα-helixtrans-59.4-47.5178-179.763.2000111.9A71 L72 A73 R77 T78 Q79A71-L75 WeakPolarHBondContact O-CB 3.12Å; A71-L75 PolarHBondContact O-N 2.76Å; L72-L75 PolarHBondContact O-N 3.41Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.1Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.31Å; L75-T78 PolarHBondContact O-N 2.92Å; L75-Q79 HydrophobicContact CD1-CG 4.31Å; L75-Q79 HydrophobicContact CG-CG 4.45Å; L75-Q79 WeakPolarHBondContact O-CB 3.29Å; L75-Q79 VanDerWaalsContact O-CG 3.27Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 3.12Å
76R86.1Confident90Very high81 Ų8178.7 Ų78.731%0.30638%0.383SS..Hα-helixtrans-62.4-41.4179-75.3174.4175.7163.4-0.8112L72 A73 H74 Q79 A80L72-R76 HydrophobicContact CD1-CG 4.49Å; L72-R76 WeakPolarHBondContact O-CG 3.5Å; L72-R76 PolarHBondContact O-N 3.29Å; A73-R76 PolarHBondContact O-N 3.44Å; H74-R76 PolarHBondContact O-N 3.2Å; R76-Q79 PolarHBondContact O-N 3.35Å; R76-A80 WeakPolarHBondContact O-CB 3.49Å; R76-A80 PolarHBondContact O-N 3.46Å
77R86.6Confident89.7Confident114 Ų11478.1 Ų78.143%0.4338%0.382SS..Hα-helixtrans-59.4-49.9175.8-160.5-171.3-14594.51.2111.3E34 D38 A73 H74 L75 Q79 A80 E81E34-R77 WeakPolarHBondContact OE1-CA 3.46Å; D38-R77 IonicContact OD1-NH1 3.12Å; A73-R77 PolarHBondContact O-N 2.78Å; H74-R77 PolarHBondContact O-N 3.47Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.31Å; R77-Q79 PolarHBondContact O-N 3.47Å; R77-A80 PolarHBondContact O-N 3.14Å; R77-E81 VanDerWaalsContact O-CG 3.3Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 2.9Å
78T91.2Very high89.5Confident71 Ų7178.1 Ų78.144%0.43638%0.376SS..Hα-helixtrans-64.2-38.8177.9-56.10000112.1H74 L75 E81 K82H74-T78 PolarHBondContact O-N 2.94Å; H74-T78 PolarHBondContact O-OG1 3.46Å; H74-T78 VanDerWaalsContact O-OG1 3.12Å; L75-T78 PolarHBondContact O-N 2.92Å; T78-E81 PolarHBondContact O-N 2.86Å; T78-K82 HydrophobicContact CG2-CG 4.44Å; T78-K82 WeakPolarHBondContact O-CB 3.26Å; T78-K82 VanDerWaalsContact O-CG 3.26Å; T78-K82 WeakPolarHBondContact O-CG 3.44Å; T78-K82 PolarHBondContact O-N 2.97Å
79Q87.8Confident89.5Confident95 Ų9577.6 Ų77.644%0.44438%0.375SS..Hα-helixtrans-62.4-43.2174.7-75.9176.7-8.800111.6L31 L75 R76 R77 K82 L83L31-Q79 HydrophobicContact CD2-CB 3.66Å; L75-Q79 HydrophobicContact CD1-CG 4.31Å; L75-Q79 HydrophobicContact CG-CG 4.45Å; L75-Q79 WeakPolarHBondContact O-CB 3.29Å; L75-Q79 VanDerWaalsContact O-CG 3.27Å; L75-Q79 WeakPolarHBondContact O-CG 3.36Å; L75-Q79 PolarHBondContact O-N 3.12Å; R76-Q79 PolarHBondContact O-N 3.35Å; R77-Q79 PolarHBondContact O-N 3.47Å; Q79-K82 PolarHBondContact O-N 2.98Å; Q79-L83 WeakPolarHBondContact O-CB 3.49Å; Q79-L83 PolarHBondContact O-N 3.3Å
80A84.1Confident89.4Confident5 Ų584.7 Ų84.74%0.04139%0.392CS..Hα-helixtrans-64.4-45.6177.300000111.4L31 E34 R76 R77 K82 L83 Q84L31-A80 HydrophobicContact CB-CB 4.31Å; L31-A80 HydrophobicContact CD2-CB 4.16Å; E34-A80 HydrophobicContact CG-CB 4.23Å; R76-A80 WeakPolarHBondContact O-CB 3.49Å; R76-A80 PolarHBondContact O-N 3.46Å; R77-A80 PolarHBondContact O-N 3.14Å; A80-K82 VanDerWaalsContact C-N 3.34Å; A80-K82 PolarHBondContact O-N 3.37Å; A80-L83 PolarHBondContact O-N 2.92Å; A80-Q84 WeakPolarHBondContact O-CB 3.28Å; A80-Q84 VanDerWaalsContact O-CG 3.28Å; A80-Q84 WeakPolarHBondContact O-CG 3.42Å; A80-Q84 PolarHBondContact O-N 3.44Å
81E88Confident89.2Confident97 Ų9785.1 Ų85.145%0.45340%0.399SS..Hα-helixtrans-58.1-45.4175.8-73.1166.6-171.200111.7R77 T78 Q84 E85R77-E81 VanDerWaalsContact O-CG 3.3Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 2.9Å; T78-E81 PolarHBondContact O-N 2.86Å; E81-Q84 PolarHBondContact O-N 3.23Å; E81-E85 WeakPolarHBondContact O-CB 3.3Å; E81-E85 PolarHBondContact O-N 2.96Å
82K91.8Very high89.1Confident116 Ų11689.1 Ų89.150%0.50440%0.401SS..Hα-helixtrans-66.9-38.8179.1-70.9-70.6150.9-159.70112.4T78 Q79 A80 E85 V86T78-K82 HydrophobicContact CG2-CG 4.44Å; T78-K82 WeakPolarHBondContact O-CB 3.26Å; T78-K82 VanDerWaalsContact O-CG 3.26Å; T78-K82 WeakPolarHBondContact O-CG 3.44Å; T78-K82 PolarHBondContact O-N 2.97Å; Q79-K82 PolarHBondContact O-N 2.98Å; A80-K82 VanDerWaalsContact C-N 3.34Å; A80-K82 PolarHBondContact O-N 3.37Å; K82-E85 IonicContact NZ-OE2 2.83Å; K82-E85 PolarHBondContact NZ-OE2 3.37Å; K82-E85 PolarHBondContact O-N 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.41Å; K82-V86 PolarHBondContact O-N 2.88Å
83L87.3Confident88.7Confident23 Ų2390.4 Ų90.412%0.1242%0.416CS..Hα-helixtrans-65.2-43.8175.8-176.656.6000111.4T24 L27 R28 L31 Q79 A80 E85 V86 L87T24-L83 HydrophobicContact CG2-CD1 3.77Å; L27-L83 HydrophobicContact CB-CD2 4.4Å; L27-L83 HydrophobicContact CD2-CD2 4.31Å; L27-L83 HydrophobicContact CG-CD2 4.21Å; R28-L83 VanDerWaalsContact CA-CD2 3.46Å; R28-L83 HydrophobicContact CB-CD2 3.96Å; R28-L83 HydrophobicContact CG-CD2 4.4Å; L31-L83 HydrophobicContact CD1-CD2 4.26Å; Q79-L83 WeakPolarHBondContact O-CB 3.49Å; Q79-L83 PolarHBondContact O-N 3.3Å; A80-L83 PolarHBondContact O-N 2.92Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.26Å; L83-V86 PolarHBondContact O-N 3.27Å; L83-L87 HydrophobicContact CD1-CD1 4.27Å; L83-L87 HydrophobicContact CD1-CG 4.34Å; L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 WeakPolarHBondContact O-CB 3.25Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.31Å; L83-L87 PolarHBondContact O-N 3.06Å
84Q88.3Confident88.1Confident96 Ų9693.2 Ų93.245%0.44944%0.439SS..Hα-helixtrans-60-41.3173.9-71.6176.420.100111.7A80 E81 L87 R88A80-Q84 WeakPolarHBondContact O-CB 3.28Å; A80-Q84 VanDerWaalsContact O-CG 3.28Å; A80-Q84 WeakPolarHBondContact O-CG 3.42Å; A80-Q84 PolarHBondContact O-N 3.44Å; E81-Q84 PolarHBondContact O-N 3.23Å; Q84-L87 PolarHBondContact O-N 3.32Å; Q84-R88 VanDerWaalsContact O-CB 3.31Å; Q84-R88 WeakPolarHBondContact O-CB 3.32Å; Q84-R88 PolarHBondContact O-N 3.43Å
85E91.3Very high86.3Confident62 Ų6295.6 Ų95.629%0.2945%0.451SS..Hα-helixtrans-61.7-46.5177.9-173.5-179.917900112.2E81 K82 L83 R88 R89E81-E85 WeakPolarHBondContact O-CB 3.3Å; E81-E85 PolarHBondContact O-N 2.96Å; K82-E85 IonicContact NZ-OE2 2.83Å; K82-E85 PolarHBondContact NZ-OE2 3.37Å; K82-E85 PolarHBondContact O-N 3.29Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 3.26Å; E85-R88 PolarHBondContact O-N 3.45Å; E85-R89 WeakPolarHBondContact O-CB 3.25Å; E85-R89 VanDerWaalsContact O-CG 3.25Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.36Å; E85-R89 IonicContact OE1-CZ 3.36Å; E85-R89 IonicContact OE1-NE 3.5Å; E85-R89 PolarHBondContact OE1-NE 3.22Å; E85-R89 VanDerWaalsContact OE1-NE 3.12Å; E85-R89 IonicContact OE1-NH2 2.73Å; E85-R89 PolarHBondContact OE1-NH2 3.31Å
86V90.3Very high84.7Confident89 Ų8996.1 Ų96.154%0.53946%0.46SS..Hα-helixtrans-63.7-44.2178.9170.80000111.1K82 L83 R89 R90K82-V86 WeakPolarHBondContact O-CG2 3.41Å; K82-V86 PolarHBondContact O-N 2.88Å; L83-V86 PolarHBondContact O-N 3.27Å; V86-R89 PolarHBondContact O-N 3.43Å; V86-R90 PolarHBondContact O-N 3.41Å
87L88.3Confident83.2Confident29 Ų2994.7 Ų94.715%0.15247%0.465CS..Hα-helixtrans-63.8-45.7178.4-68.6174.6000111.5T24 R28 L83 Q84 R89 R90 E91T24-L87 HydrophobicContact CG2-CD2 3.96Å; R28-L87 HydrophobicContact CB-CD1 4.06Å; R28-L87 HydrophobicContact CG-CD1 3.59Å; L83-L87 HydrophobicContact CD1-CD1 4.27Å; L83-L87 HydrophobicContact CD1-CG 4.34Å; L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 WeakPolarHBondContact O-CB 3.25Å; L83-L87 VanDerWaalsContact O-CG 3.25Å; L83-L87 WeakPolarHBondContact O-CG 3.31Å; L83-L87 PolarHBondContact O-N 3.06Å; Q84-L87 PolarHBondContact O-N 3.32Å; L87-R89 VanDerWaalsContact C-N 3.31Å; L87-R89 PolarHBondContact O-N 2.93Å; L87-R90 WeakPolarHBondContact O-CB 3.35Å; L87-R90 PolarHBondContact O-N 3.05Å; L87-R90 VanDerWaalsContact O-N 3.13Å; L87-E91 WeakPolarHBondContact O-CG 3.49Å; L87-E91 PolarHBondContact O-N 2.76Å
88R90.3Very high81.8Confident120 Ų12094.7 Ų94.745%0.45348%0.479SS..Hα-helixtrans-62.5-37.5176.8-161.9-165.178.5158.4-4.9112.7Q84 E85 R92Q84-R88 VanDerWaalsContact O-CB 3.31Å; Q84-R88 WeakPolarHBondContact O-CB 3.32Å; Q84-R88 PolarHBondContact O-N 3.43Å; E85-R88 PolarHBondContact O-N 3.45Å; R88-R92 VanDerWaalsContact CZ-NH1 3.29Å; R88-R92 VanDerWaalsContact NH2-CZ 3.33Å; R88-R92 WeakPolarHBondContact O-CG 3.48Å; R88-R92 PolarHBondContact O-N 3.03Å; R88-R92 VanDerWaalsContact O-N 3.13Å
89R92.4Very high80.1Confident150 Ų15096.3 Ų96.357%0.56649%0.49SS*.Hα-helixtrans-63.9-43.7174.8-76.1171.8-177.9-86.52.1110.8E85 V86 L87 R92 S93E85-R89 WeakPolarHBondContact O-CB 3.25Å; E85-R89 VanDerWaalsContact O-CG 3.25Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.36Å; E85-R89 IonicContact OE1-CZ 3.36Å; E85-R89 IonicContact OE1-NE 3.5Å; E85-R89 PolarHBondContact OE1-NE 3.22Å; E85-R89 VanDerWaalsContact OE1-NE 3.12Å; E85-R89 IonicContact OE1-NH2 2.73Å; E85-R89 PolarHBondContact OE1-NH2 3.31Å; V86-R89 PolarHBondContact O-N 3.43Å; L87-R89 VanDerWaalsContact C-N 3.31Å; L87-R89 PolarHBondContact O-N 2.93Å; R89-R92 PolarHBondContact O-N 2.92Å; R89-S93 PolarHBondContact O-N 3.38Å; R89-S93 PolarHBondContact O-OG 2.97Å; R89-S93 VanDerWaalsContact O-OG 3.11Å
90R89.3Confident78.4Confident178 Ų17895.7 Ų95.767%0.67249%0.493SS*.Hα-helixtrans-61.6-45.7177-173179.4-179.4-158.8-0.4111.9V86 L87 R92 S93 A94V86-R90 PolarHBondContact O-N 3.41Å; L87-R90 WeakPolarHBondContact O-CB 3.35Å; L87-R90 PolarHBondContact O-N 3.05Å; L87-R90 VanDerWaalsContact O-N 3.13Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 3.12Å; R90-S93 VanDerWaalsContact CA-OG 3.3Å; R90-S93 WeakPolarHBondContact CA-OG 3.3Å; R90-S93 PolarHBondContact O-N 2.73Å; R90-S93 PolarHBondContact O-OG 3.27Å; R90-A94 WeakPolarHBondContact O-CB 3.42Å; R90-A94 PolarHBondContact O-N 2.83Å
91E87.9Confident76.7Confident125 Ų12598.8 Ų98.858%0.58452%0.518SS*.Hα-helixtrans-57.8-45.8176.6-71.9162.4-169.600111.5L87 S93 A94 Q95L87-E91 WeakPolarHBondContact O-CG 3.49Å; L87-E91 PolarHBondContact O-N 2.76Å; E91-S93 PolarHBondContact O-N 2.92Å; E91-A94 PolarHBondContact O-N 3.46Å; E91-Q95 PolarHBondContact O-N 2.99Å; E91-Q95 VanDerWaalsContact O-N 3.14Å
92R89.6Confident74.8Confident145 Ų14597.3 Ų97.355%0.54752%0.522SS..Hα-helixtrans-65.5-37.8176.7-75.3174.9-176-168.4-7.4114R88 R89 R90 A94 Q95R88-R92 VanDerWaalsContact CZ-NH1 3.29Å; R88-R92 VanDerWaalsContact NH2-CZ 3.33Å; R88-R92 WeakPolarHBondContact O-CG 3.48Å; R88-R92 PolarHBondContact O-N 3.03Å; R88-R92 VanDerWaalsContact O-N 3.13Å; R89-R92 PolarHBondContact O-N 2.92Å; R90-R92 VanDerWaalsContact C-N 3.34Å; R90-R92 PolarHBondContact O-N 3.12Å; R92-A94 PolarHBondContact O-N 3.13Å; R92-Q95 PolarHBondContact O-N 3.11Å
93S80.5Confident72.7Confident100 Ų10094.5 Ų94.570%0.69952%0.521SS*.Hα-helixtrans-71.9-21.5175.652.90000113.1R89 R90 E91R89-S93 PolarHBondContact O-N 3.38Å; R89-S93 PolarHBondContact O-OG 2.97Å; R89-S93 VanDerWaalsContact O-OG 3.11Å; R90-S93 VanDerWaalsContact CA-OG 3.3Å; R90-S93 WeakPolarHBondContact CA-OG 3.3Å; R90-S93 PolarHBondContact O-N 2.73Å; R90-S93 PolarHBondContact O-OG 3.27Å; E91-S93 PolarHBondContact O-N 2.92Å
94A76.2Confident70.8Confident76 Ų7696.4 Ų96.463%0.62854%0.54SS*.Hα-helixtrans-90.9-7.7177.400000113.1R90 E91 R92 P96R90-A94 WeakPolarHBondContact O-CB 3.42Å; R90-A94 PolarHBondContact O-N 2.83Å; E91-A94 PolarHBondContact O-N 3.46Å; R92-A94 PolarHBondContact O-N 3.13Å; A94-P96 VanDerWaalsContact O-CD 3.28Å; A94-P96 WeakPolarHBondContact O-CD 3.45Å
95Q55.3Low68.9Low146 Ų14694.9 Ų94.968%0.68254%0.544SS*.SBendtrans-87.5109.9-179-163.7162.7-000109.8E91 R92E91-Q95 PolarHBondContact O-N 2.99Å; E91-Q95 VanDerWaalsContact O-N 3.14Å; R92-Q95 PolarHBondContact O-N 3.11Å
96P55.2Low66.8Low101 Ų10195.2 Ų95.266%0.65656%0.557SS**  trans-66.8139.6174.428.4-31.6000108.9A94A94-P96 VanDerWaalsContact O-CD 3.28Å; A94-P96 WeakPolarHBondContact O-CD 3.45Å
97A55.3Low64.6Low50 Ų5094.4 Ų94.441%0.41356%0.559SS.*  trans-54.4133.1177.300000110.3T99 T100A97-T99 PolarHBondContact O-N 3.36Å; A97-T100 PolarHBondContact O-N 3Å; A97-T100 PolarHBondContact O-OG1 3.35Å
98P57.6Low62.6Low114 Ų11496.8 Ų96.874%0.7458%0.584SS**Hα-helixtrans-61.3-12.7-178.924.6-33.7000113.4
99T55.3Low60.6Low106 Ų10697 Ų9765%0.6560%0.599SS**Hα-helixtrans-76.9-22175.343.70000114A97 A103A97-T99 PolarHBondContact O-N 3.36Å; T99-A103 VanDerWaalsContact O-CB 3.22Å; T99-A103 WeakPolarHBondContact O-CB 3.35Å; T99-A103 PolarHBondContact O-N 3.36Å
100T51.9Low58.2Low82 Ų8293.8 Ų93.850%0.50360%0.604SS.*Hα-helixtrans-86-29.3-179.750.60000113.7A97 A104A97-T100 PolarHBondContact O-N 3Å; A97-T100 PolarHBondContact O-OG1 3.35Å; T100-A104 WeakPolarHBondContact O-CB 3.17Å; T100-A104 PolarHBondContact O-N 3.46Å
101A48.8Very low55.9Low69 Ų6994.5 Ų94.557%0.5762%0.617SS**Hα-helixtrans-73.1-38.5173.800000112A105A101-A105 VanDerWaalsContact O-CB 3.31Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.19Å
102A47Very low53.9Low66 Ų6695.7 Ų95.755%0.54563%0.628SS.*Hα-helixtrans-68.4-38.5173.300000112.2A106A102-A106 WeakPolarHBondContact O-CB 3.28Å; A102-A106 PolarHBondContact O-N 3.45Å
103A48.4Very low52.1Low58 Ų5894.1 Ų94.148%0.47964%0.636SS.*Hα-helixtrans-70.5-37175.200000112.9T99 A106 A107T99-A103 VanDerWaalsContact O-CB 3.22Å; T99-A103 WeakPolarHBondContact O-CB 3.35Å; T99-A103 PolarHBondContact O-N 3.36Å; A103-A106 PolarHBondContact O-N 2.96Å; A103-A107 WeakPolarHBondContact O-CB 3.31Å; A103-A107 PolarHBondContact O-N 3.13Å
104A48.5Very low50.4Low63 Ų6395.5 Ų95.552%0.52164%0.643SS.*Hα-helixtrans-70.3-36.2175.400000112.4T100 A107 A108T100-A104 WeakPolarHBondContact O-CB 3.17Å; T100-A104 PolarHBondContact O-N 3.46Å; A104-A107 PolarHBondContact O-N 3.49Å; A104-A108 PolarHBondContact O-N 3.14Å
105A47.8Very low48.8Very low64 Ų64101.3 Ų101.353%0.52965%0.654SS.*Hα-helixtrans-70.3-33.8173.100000112.5A101 T109A101-A105 VanDerWaalsContact O-CB 3.31Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.19Å; A105-T109 PolarHBondContact O-OG1 3.49Å
106A47Very low48.9Very low68 Ų6899 Ų9956%0.56265%0.652SS**Hα-helixtrans-71.6-33173.200000112.7A102 A103 A108A102-A106 WeakPolarHBondContact O-CB 3.28Å; A102-A106 PolarHBondContact O-N 3.45Å; A103-A106 PolarHBondContact O-N 2.96Å; A106-A108 VanDerWaalsContact C-N 3.34Å
107A44.9Very low48.2Very low72 Ų72103.7 Ų103.760%0.59566%0.662SS**Hα-helixtrans-73.8-22.1176.500000113.5A103 A104 T109A103-A107 WeakPolarHBondContact O-CB 3.31Å; A103-A107 PolarHBondContact O-N 3.13Å; A104-A107 PolarHBondContact O-N 3.49Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-T109 PolarHBondContact O-N 3.05Å
108A45.8Very low48.4Very low80 Ų80106.9 Ų106.966%0.66168%0.678SS**THydrogen-bonded Turntrans-78.6-8.9178.900000114.3A104 A106A104-A108 PolarHBondContact O-N 3.14Å; A106-A108 VanDerWaalsContact C-N 3.34Å
109T47Very low47.5Very low125 Ų125106.1 Ų106.177%0.76768%0.682SS**THydrogen-bonded Turntrans-99.10.9-179.2-43.40000113.4A105 A107A105-T109 PolarHBondContact O-OG1 3.49Å; A107-T109 VanDerWaalsContact C-N 3.31Å; A107-T109 PolarHBondContact O-N 3.05Å
110A42.4Very low46.6Very low82 Ų82106 Ų10668%0.67869%0.691SS**  trans-12077.5177.300000110.5D112A110-D112 PolarHBondContact O-N 3.06Å
111M42.3Very low46.1Very low192 Ų192106.4 Ų106.495%0.94670%0.703SS**  trans-77.2106.7159.3-83.6-164.773.700109.1
112D44.6Very low45.8Very low151 Ų151109.6 Ų109.681%0.80772%0.716SS**  trans-148.7133.9150.1-158.528.3000108.5A110A110-D112 PolarHBondContact O-N 3.06Å
113P53.1Low45.6Very low111 Ų111114 Ų11472%0.72173%0.729SS**PPolyproline II helixtrans-96.7145-166.835.7-28.2000112.1
114P43.1Very low45.9Very low130 Ų130116.8 Ų116.884%0.84474%0.742SS**PPolyproline II helixtrans-102.4139.9160.128.7-17.3000112.6
115K44.5Very low45.6Very low197 Ų197120.9 Ų120.986%0.85776%0.761SS**PPolyproline II helixtrans-61.6149.2-178.5-153.5157.6-173.6164.90112.5
116P56.2Low45.4Very low99 Ų99121.2 Ų121.264%0.64377%0.77SS**PPolyproline II helixtrans-89.4146.3-177.235.4-31.3000111.5
117F41Very low45.4Very low199 Ų199123 Ų12387%0.87379%0.786SS**  trans-175.5157.7144.5-84.8-55.2000110.2
118P59Low45.3Very low116 Ų116124.4 Ų124.475%0.75380%0.797SS**  trans-124.6174.4-134.640.2-24.9000116.9
119A39.8Very low45.6Very low98 Ų98132.7 Ų132.781%0.8181%0.811SS**  trans71.5118.1149.800000120.1
120A34.7Very low45.6Very low103 Ų103129.7 Ų129.785%0.85181%0.805SS**  -170.4143.6110.900000112.2
121A42.4Very low46.8Very low92 Ų92131.4 Ų131.476%0.7681%0.809SS**  trans-30.6155.3172.700000116.4
122V41.4Very low48Very low136 Ų136127.8 Ų127.882%0.82480%0.8SS**  -166.8133.665.3170.50000109.5
123L44.3Very low48.6Very low159 Ų159126.5 Ų126.583%0.83280%0.8SS**  trans-95175.5156.3-68.7171.9000108.4
124P54.8Low48.8Very low115 Ų115126 Ų12675%0.74781%0.805SS**  cis-125.4-167.2-46.834.7-15.9000110
125T41.6Very low49.8Very low150 Ų150125.9 Ų125.992%0.9280%0.802SS**  trans122.7136.5153-136.40000115.8
126G42.8Very low50.5Low70 Ų70122 Ų12272%0.72280%0.797SS**  trans157.661176.200000113.3A128G126-A128 PolarHBondContact O-N 3Å
127A48.5Very low50.8Low107 Ų107127.7 Ų127.788%0.88481%0.805SS**  trans-61.5125.2164.100000110
128A43.1Very low51.7Low100 Ų100124 Ų12483%0.82681%0.805SS**  trans-134.596.5161.100000109.2G126 G130G126-A128 PolarHBondContact O-N 3Å; A128-G130 PolarHBondContact O-N 2.92Å
129R51.5Low52.2Low254 Ų254124.4 Ų124.496%0.95880%0.799SS**  trans-63.7101.4169175.7175.6162.1173.7-5.4108.9
130G47.6Very low53.3Low63 Ų63124.9 Ų124.965%0.64979%0.794SS**PPolyproline II helixtrans-91.8131.4167.400000110.9A128A128-G130 PolarHBondContact O-N 2.92Å
131P66.3Low54.7Low118 Ų118125.4 Ų125.477%0.76679%0.789SS**PPolyproline II helixtrans-70.7142172.827.3-29.6000110.6
132P68.2Low55.3Low116 Ų116129.2 Ų129.275%0.75380%0.796SS**PPolyproline II helixtrans-72.3141176.429.2-32.9000110.8
133P57.6Low56.2Low124 Ų124129.8 Ų129.881%0.80579%0.794SS**PPolyproline II helixtrans-66.5136.717126.9-32.1000110.8V135P133-V135 PolarHBondContact O-N 3.01Å
134A56.2Low56.6Low101 Ų101127.7 Ų127.784%0.83579%0.793SS**PPolyproline II helixtrans-60.7126.8-176.600000112.5
135V65.3Low56.9Low127 Ų127133.2 Ų133.277%0.7780%0.799SS**PPolyproline II helixtrans-91.3127.4167.1-152.20000107.4P133 R137P133-V135 PolarHBondContact O-N 3.01Å; V135-R137 PolarHBondContact O-N 2.96Å
136P59.3Low57.3Low115 Ų115132.1 Ų132.175%0.74779%0.794SS**  trans-67110.6168.225.8-29.2000108.4S138P136-S138 PolarHBondContact O-N 3.48Å
137R61.3Low58.2Low218 Ų218134.7 Ų134.782%0.82380%0.795SS**  trans-62.196168.3-91.7179.4162.797.1-4.6108.9V135 L139V135-R137 PolarHBondContact O-N 2.96Å; R137-L139 HydrophobicContact CB-CG 4.39Å; R137-L139 HydrophobicContact CG-CD1 4.26Å; R137-L139 HydrophobicContact CG-CG 4.38Å; R137-L139 PolarHBondContact O-N 2.89Å
138S60.8Low58.9Low123 Ų123134.6 Ų134.686%0.8679%0.786SS**  trans-79.567.6156.221.70000108.9P136P136-S138 PolarHBondContact O-N 3.48Å
139L69.4Low59.7Low123 Ų123135.8 Ų135.864%0.64479%0.785SS**PPolyproline II helixtrans-94.3129.7162.4-66.5178.3000107.6R137R137-L139 HydrophobicContact CB-CG 4.39Å; R137-L139 HydrophobicContact CG-CD1 4.26Å; R137-L139 HydrophobicContact CG-CG 4.38Å; R137-L139 PolarHBondContact O-N 2.89Å
140P61.8Low60.1Low108 Ų108130.2 Ų130.270%0.70178%0.779SS**PPolyproline II helixtrans-62137.5167.725.8-31000109.1L142P140-L142 PolarHBondContact O-N 3.2Å
141P65.3Low60.3Low114 Ų114137.2 Ų137.274%0.7479%0.792SS**PPolyproline II helixtrans-56.2133.5176.6-22.632000111.4D143P141-D143 PolarHBondContact O-N 3.21Å
142L55.4Low59.2Low173 Ų173135.2 Ų135.291%0.90679%0.792SS**SBendtrans-79.938.2177.7-76.1172.8000113.2P140P140-L142 PolarHBondContact O-N 3.2Å
143D60Low58.4Low148 Ų148135.4 Ų135.479%0.79180%0.797SS**  trans-128.352-178.2-78.8-55.3000112.7P141P141-D143 PolarHBondContact O-N 3.21Å
144S52.3Low58.3Low114 Ų114136 Ų13680%0.79780%0.8SS**  trans-12066.7164.6-58.80000109.6P146S144-P146 WeakPolarHBondContact O-CD 3.33Å
145R60.8Low57.7Low232 Ų232134.9 Ų134.988%0.87580%0.799SS**  trans-67.1125.5159.9-83.9-176.5163.4-178.6-3.3108V147R145-V147 PolarHBondContact O-N 2.98Å; R145-V147 VanDerWaalsContact O-N 3.1Å
146P49.2Very low56.8Low127 Ų127134.6 Ų134.683%0.82580%0.802SS**  trans-70.7107.4166.526.2-27.5000108.4S144S144-P146 WeakPolarHBondContact O-CD 3.33Å
147V61.3Low56.6Low123 Ų123134.4 Ų134.475%0.74580%0.8SS**PPolyproline II helixtrans-68.5129.2160.9153.50000107.7R145R145-V147 PolarHBondContact O-N 2.98Å; R145-V147 VanDerWaalsContact O-N 3.1Å
148P63.8Low56.2Low105 Ų105133.8 Ų133.868%0.68280%0.804SS**PPolyproline II helixtrans-74129.7170.729.4-30.7000109.3V150P148-V150 PolarHBondContact O-N 3.49Å
149P60.5Low55.5Low126 Ų126131.2 Ų131.282%0.81880%0.797SS**PPolyproline II helixtrans-69.3121.7166.926.5-29.7000109.3
150V59Low54.8Low137 Ų137131.6 Ų131.683%0.8381%0.807SS**PPolyproline II helixtrans-57.3140.4171.6176.60000109.6P148P148-V150 PolarHBondContact O-N 3.49Å
151K53.4Low54.5Low209 Ų209129.8 Ų129.891%0.90980%0.801SS**  trans-42.8133.2177.6-64.5-179.6-171.2-179.40113
152G43.1Very low53.9Low76 Ų76130.7 Ų130.778%0.78481%0.806SS**  trans-168.382.5163.900000111.2
153S50.2Low53.8Low121 Ų121129.4 Ų129.485%0.84680%0.8SS**  trans-87.8138.2153.8-63.60000106.9
154P56.2Low53.5Low135 Ų135129.8 Ų129.888%0.87780%0.801SS**  -147.2154.676.535.5-16.6000115.1
155G42.9Very low53.6Low79 Ų79129.9 Ų129.981%0.81480%0.801SS**  trans132.593.6158.800000116.6
156C47.3Very low53.5Low121 Ų121124.4 Ų124.482%0.81880%0.796SS**  trans-53.4165.2160.1-65.60000112.3
157P54.2Low53.8Low111 Ų111129.6 Ų129.672%0.72180%0.799SS**  cis-141.5150.837.230.5-6.4000118.7
158F52.7Low53.6Low205 Ų205129 Ų12990%0.89980%0.798SS**  trans36.496.3144.4-65.8-81000118.9
159G47.2Very low53.1Low69 Ų69129.7 Ų129.771%0.71181%0.805SS**PPolyproline II helixtrans-92135.8150.700000109.8A161G159-A161 PolarHBondContact O-N 2.98Å
160P54.1Low53.3Low131 Ų131131.7 Ų131.785%0.85180%0.804SS**PPolyproline II helixtrans-67.8124.8-179.126.5-31.4000110.5
161A55.6Low53.6Low70 Ų70130.5 Ų130.558%0.57980%0.799SS**PPolyproline II helixtrans-62.2140165.700000109.7G159 L163G159-A161 PolarHBondContact O-N 2.98Å; A161-L163 VanDerWaalsContact C-N 3.32Å; A161-L163 PolarHBondContact O-N 3.46Å
162P52.7Low54Low132 Ų132128.3 Ų128.386%0.85779%0.792SS**  trans-67.597.7162.7-7.623.2000107.3
163L53.1Low55.2Low147 Ų147129.3 Ų129.377%0.7779%0.785SS**  trans-62.9138.4170.7-67.7178.4000109.3A161 S165A161-L163 VanDerWaalsContact C-N 3.32Å; A161-L163 PolarHBondContact O-N 3.46Å; L163-S165 PolarHBondContact O-N 3.41Å
164L54.7Low56Low156 Ų156129.5 Ų129.582%0.81778%0.783SS**  trans-20.7121.3163.2-71.193.3000113.4P166L164-P166 VanDerWaalsContact O-CD 3.32Å; L164-P166 WeakPolarHBondContact O-CD 3.35Å
165S54.3Low56.4Low115 Ų115131.3 Ų131.380%0.80478%0.78SS**PPolyproline II helixtrans-67.1122.1153.5-58.80000108L163 R167L163-S165 PolarHBondContact O-N 3.41Å; S165-R167 PolarHBondContact O-N 3.23Å
166P57.5Low57.1Low118 Ų118142.8 Ų142.877%0.76680%0.798SS**PPolyproline II helixtrans-65.2122.9169.4-14.829.6000108.5L164L164-P166 VanDerWaalsContact O-CD 3.32Å; L164-P166 WeakPolarHBondContact O-CD 3.35Å
167R56.4Low57.6Low235 Ų235143.9 Ų143.989%0.88780%0.797SS**PPolyproline II helixtrans-55.8125.1168.5-179.1-178.8178170-0.8108.6S165 S169S165-R167 PolarHBondContact O-N 3.23Å; R167-S169 PolarHBondContact O-N 3.44Å
168P56.3Low57.8Low110 Ų110145.6 Ų145.671%0.71480%0.801SS**PPolyproline II helixtrans-65.9127.2175.225.1-30.9000109.6Q170P168-Q170 PolarHBondContact O-N 2.95Å
169S53.3Low58Low120 Ų120142.3 Ų142.384%0.83980%0.796SS**  trans-64.2111.4171.4-1660000108.4R167R167-S169 PolarHBondContact O-N 3.44Å
170Q65.5Low58.7Low169 Ų169146.6 Ų146.679%0.7980%0.801SS**PPolyproline II helixtrans-71.3128.3170.1-82.7-78.6-6.700108.8P168P168-Q170 PolarHBondContact O-N 2.95Å
171P64.2Low59Low112 Ų112147.6 Ų147.673%0.72780%0.798SS**PPolyproline II helixtrans-74.2133.8167.728.3-28.9000110.4
172E62.1Low59.2Low162 Ų162152.8 Ų152.876%0.75781%0.812SS**PPolyproline II helixtrans-64.8136.6177.7-167.3175.2109.900111.1
173P68.4Low59.7Low98 Ų98154.3 Ų154.364%0.63681%0.809SS**PPolyproline II helixtrans-74.6142.5178.529.3-32.3000111.2H175P173-H175 PolarHBondContact O-N 3.43Å
174P68.1Low60.2Low125 Ų125154.8 Ų154.881%0.81281%0.812SS**PPolyproline II helixtrans-67.6128.6-179.427.2-33.2000110.9R176P174-R176 PolarHBondContact O-N 3.47Å
175H63.1Low60.6Low173 Ų173154.8 Ų154.880%0.80181%0.812SS**PPolyproline II helixtrans-60.9119164.9-65.1-73.7000109.3P173P173-H175 PolarHBondContact O-N 3.43Å
176R58.2Low61.2Low320 Ų320158.4 Ų158.4100%1.20881%0.812SS**  trans-127.10158.4-103.5-156.1170.7-168.6-1.3109.3P174P174-R176 PolarHBondContact O-N 3.47Å

Retrieved 176 of 176 residues in 42.2 ms (Link to these results)