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Fanconi-associated nuclease

Nuclease required for the repair of DNA interstrand cross-links (ICL). Acts as a 5'-3' exonuclease that anchors at a cut end of DNA and cleaves DNA successively at every third nucleotide, allowing to excise an ICL from one strand through flanking incisions.

AlphaFold DB , UniProt , Accession X5DRB9, Species HUMAN (Homo sapiens, Human), Gene FAN1, Length 531 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
1M35.4Very low38Very low228 Ų228157.5 Ų157.5100%1.12384%0.836SS**  0148.90-100.4-170170.700108.4
2M32.1Very low38.6Very low172 Ų172164.9 Ų164.985%0.84784%0.844SS**  trans61.7175171-52.5-44.9-178.300117.2
3S37.5Very low38.4Very low106 Ų106161.8 Ų161.874%0.74184%0.841SS**  trans-146176.7-141.1-54.80000113.7
4E37.3Very low38.1Very low201 Ų201168.1 Ų168.194%0.93985%0.848SS**  trans76.3159.4160.1-57.2-167.6116.300120.2
5G36.3Very low37.8Very low78 Ų78173.7 Ų173.780%0.80486%0.855SS**  trans108.199.7167.900000117.3
6K41.7Very low37.6Very low205 Ų205169.9 Ų169.989%0.89185%0.852SS**  trans-96.8151.1165.9-77.9-176.3178.71760111.5
7P43.8Very low37.4Very low124 Ų124169.5 Ų169.581%0.80585%0.851SS**  -130.11721196.715.7000113.9
8P46.1Very low37.5Very low113 Ų113166.8 Ų166.873%0.73485%0.851SS**  trans-106.1163.3-15439.4-37000119.2
9D35.2Very low37.5Very low116 Ų116165.8 Ų165.862%0.6285%0.847SS**  trans19.1119.7155.8-66.8-73.2000123.1K11D9-K11 IonicContact OD1-NZ 3.51Å
10K37Very low37.7Very low212 Ų212162.8 Ų162.892%0.92284%0.841SS**  trans-133.999.5144.8-69.7-176.3-178.71760109.8
11K35.9Very low37.9Very low177 Ų177164 Ų16477%0.7784%0.84SS**  trans-120.9112.6179.5-72.5178.2-176.8158.40112.4D9D9-K11 IonicContact OD1-NZ 3.51Å
12R45.6Very low38.2Very low247 Ų247160.4 Ų160.493%0.93283%0.825SS**  trans-69.8134166.4-71.4173.4168.1165.8-5.2110.3
13P35.7Very low39.1Very low124 Ų124162.1 Ų162.181%0.80583%0.828SS**  trans-91.2139.5157.333.2-29.1000111
14R34.3Very low39.6Very low250 Ų250166.6 Ų166.694%0.94383%0.834SS**  trans-147.683171.8-145.9-168.8-164-162.26.2111.4
15R33.9Very low40.3Very low252 Ų252166.7 Ų166.795%0.95183%0.831SS**  trans-173.3157.9162.1-108.2171.9171.6174.7-3.1107.5
16S33.7Very low41Very low114 Ų114167.1 Ų167.180%0.79783%0.827SS**  cis-130.1178.811.152.90000113.3
17L35.1Very low41.7Very low162 Ų162162.8 Ų162.885%0.84882%0.823SS**  trans-99.9140.3-175.7-66.4159.6000111.3
18S37.7Very low42.2Very low121 Ų121163.5 Ų163.585%0.84682%0.82SS**  trans-161.5115.4138.8470000110.7
19I37.9Very low43.3Very low149 Ų149161.3 Ų161.376%0.76481%0.807SS**  trans-103.9119.3172.4-66.9173.9000108.1K21I19-K21 HydrophobicContact CG2-CG 3.96Å
20S42.3Very low44.7Very low104 Ų104161.9 Ų161.973%0.72781%0.809SS**  trans-125.1106.3160.353.40000109.2N22S20-N22 VanDerWaalsContact C-N 3.31Å; S20-N22 PolarHBondContact O-N 3.22Å
21K42.5Very low45.8Very low190 Ų190157 Ų15783%0.82679%0.792SS**  trans-77.376.5-178.2-72.4-175.4178.1178.60111.3I19 K23I19-K21 HydrophobicContact CG2-CG 3.96Å; K21-K23 PolarHBondContact O-N 2.65Å; K21-K23 VanDerWaalsContact O-N 3.1Å
22N41.6Very low47Very low151 Ų151151.4 Ų151.481%0.80777%0.774SS**  trans-68.8106165-89-17.4000109.7S20 K24S20-N22 VanDerWaalsContact C-N 3.31Å; S20-N22 PolarHBondContact O-N 3.22Å; N22-K24 PolarHBondContact O-N 2.93Å
23K50.8Low47.7Very low208 Ų208143.6 Ų143.690%0.90476%0.757SS**  trans-59.897.6165.3-77.5-176.5175-179.20108.4K21 K25K21-K23 PolarHBondContact O-N 2.65Å; K21-K23 VanDerWaalsContact O-N 3.1Å; K23-K25 PolarHBondContact O-N 3.02Å; K23-K25 VanDerWaalsContact O-N 3.13Å
24K46.6Very low49Very low201 Ų201145.8 Ų145.887%0.87475%0.754SS**PPolyproline II helixtrans-59.1117.1160.9-74.7-174.2175.3-177.30106.9N22 A26N22-K24 PolarHBondContact O-N 2.93Å; K24-A26 PolarHBondContact O-N 2.83Å
25K51.9Low50.2Low203 Ų203139.8 Ų139.888%0.88374%0.741SS**PPolyproline II helixtrans-56.8127.2159.9-75.6-175.8174.3-176.90106.1K23 S27K23-K25 PolarHBondContact O-N 3.02Å; K23-K25 VanDerWaalsContact O-N 3.13Å; K25-S27 PolarHBondContact O-N 3.32Å
26A51.1Low51.7Low87 Ų87133.6 Ų133.672%0.71973%0.727SS**PPolyproline II helixtrans-60.5126.1166.200000107.3K24 N28K24-A26 PolarHBondContact O-N 2.83Å; A26-N28 PolarHBondContact O-N 3.28Å
27S57.3Low53.6Low114 Ų114132.3 Ų132.380%0.79772%0.723SS**  trans-69.9111.3166.647.10000107.1K25 S29K25-S27 PolarHBondContact O-N 3.32Å; S27-S29 PolarHBondContact O-N 3.32Å
28N54.3Low55.3Low139 Ų139128.6 Ų128.674%0.74371%0.708SS**  trans-54.7117.2172.1-68-3.7000107.8A26A26-N28 PolarHBondContact O-N 3.28Å
29S69.2Low57.2Low66 Ų66126.8 Ų126.846%0.46269%0.693SS.*  trans-63.6144.7176.9179.30000109.2S27 I31 S32S27-S29 PolarHBondContact O-N 3.32Å; S29-I31 PolarHBondContact O-N 2.75Å; S29-I31 WeakPolarHBondContact OG-CG1 3.21Å; S29-I31 PolarHBondContact OG-N 3.18Å; S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-OG 2.99Å
30I64.3Low59.3Low129 Ų129123.6 Ų123.666%0.66269%0.689SS**THydrogen-bonded Turntrans-52.3-25.7174.5-76167.5000111.7S32 C33 F34I30-S32 PolarHBondContact O-N 2.94Å; I30-C33 VanDerWaalsContact O-CB 3.28Å; I30-C33 WeakPolarHBondContact O-CB 3.4Å; I30-C33 PolarHBondContact O-N 2.86Å; I30-F34 HydrophobicContact CG2-CD2 4.23Å; I30-F34 HydrophobicContact CG2-CE2 3.71Å; I30-F34 WeakPolarHBondContact O-CD2 3.32Å
31I60.6Low61.6Low110 Ų110124 Ų12456%0.56468%0.678SS**Hα-helixtrans-52.4-35.5171.8-59.5170.4000112.5S29 C33 F34 N35S29-I31 PolarHBondContact O-N 2.75Å; S29-I31 WeakPolarHBondContact OG-CG1 3.21Å; S29-I31 PolarHBondContact OG-N 3.18Å; I31-C33 PolarHBondContact O-N 3.11Å; I31-F34 PolarHBondContact O-N 3.31Å; I31-N35 PolarHBondContact O-N 2.84Å
32S60.5Low64Low58 Ų58117.2 Ų117.241%0.40665%0.651SS.*Hα-helixtrans-66.1-20.7177.665.90000113.5S29 I30 F34S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 PolarHBondContact O-OG 2.99Å; I30-S32 PolarHBondContact O-N 2.94Å; S32-F34 VanDerWaalsContact C-N 3.35Å
33C60.8Low66.4Low84 Ų84113 Ų11357%0.56864%0.636SS**Hα-helixtrans-75.9-24.7174.4-57.10000112.3I30 I31 N36I30-C33 VanDerWaalsContact O-CB 3.28Å; I30-C33 WeakPolarHBondContact O-CB 3.4Å; I30-C33 PolarHBondContact O-N 2.86Å; I31-C33 PolarHBondContact O-N 3.11Å; C33-N36 PolarHBondContact O-ND2 3.23Å
34F61.9Low68.3Low169 Ų169103.1 Ų103.174%0.74159%0.594SS**Hα-helixtrans-88.9-16.2178.7-69.4-76.5000113.6I30 I31 S32 N36I30-F34 HydrophobicContact CG2-CD2 4.23Å; I30-F34 HydrophobicContact CG2-CE2 3.71Å; I30-F34 WeakPolarHBondContact O-CD2 3.32Å; I31-F34 PolarHBondContact O-N 3.31Å; S32-F34 VanDerWaalsContact C-N 3.35Å; F34-N36 PolarHBondContact O-N 3.25Å
35N61.3Low70.3Confident124 Ų12498.8 Ų98.866%0.66359%0.586SS**THydrogen-bonded Turntrans-76.85.6174.2-69.5-8.7000114I31 A37I31-N35 PolarHBondContact O-N 2.84Å; N35-A37 VanDerWaalsContact C-N 3.33Å; N35-A37 PolarHBondContact O-N 2.82Å
36N65.4Low72.1Confident123 Ų12394.1 Ų94.166%0.65857%0.574SS**  trans-77.281.5175.3-68.9-63.3000110.5C33 F34C33-N36 PolarHBondContact O-ND2 3.23Å; F34-N36 PolarHBondContact O-N 3.25Å
37A72.3Confident74.1Confident86 Ų8690.6 Ų90.671%0.71154%0.544SS*.PPolyproline II helixtrans-54.2132.3169.100000109.8N35N35-A37 VanDerWaalsContact C-N 3.33Å; N35-A37 PolarHBondContact O-N 2.82Å
38P71.9Confident75.5Confident85 Ų8589.9 Ų89.955%0.55254%0.54SS*.PPolyproline II helixtrans-61.6140.5-177.125.1-33.9000110.2A40P38-A40 PolarHBondContact O-N 3.45Å
39P76.1Confident77.2Confident82 Ų8287.5 Ų87.553%0.53252%0.523SS..PPolyproline II helixtrans-60.3127.2-173.624.1-34.4000111K41 L42P39-K41 PolarHBondContact O-N 3.1Å; P39-K41 VanDerWaalsContact O-N 3.16Å; P39-L42 HydrophobicContact CG-CD2 3.86Å
40A83Confident78.3Confident82 Ų8290.1 Ų90.168%0.67853%0.529SS*.SBendtrans-64-20.7-175.300000113.4P38 P52 R53P38-A40 PolarHBondContact O-N 3.45Å; A40-P52 WeakPolarHBondContact O-CA 3.41Å; A40-R53 PolarHBondContact O-N 3.25Å
41K90.6Very high79.6Confident112 Ų11284.6 Ų84.649%0.48750%0.501SS..EExtended strand (participates in β ladder)trans-127.3143.5171.8-60.7-172.9177.4-169.50110.3P39 M50 V51P39-K41 PolarHBondContact O-N 3.1Å; P39-K41 VanDerWaalsContact O-N 3.16Å; K41-M50 HydrophobicContact CB-CB 4.37Å; K41-M50 HydrophobicContact CB-CE 4.03Å; K41-M50 HydrophobicContact CD-CB 4.46Å; K41-V51 CarbonylContact C-O 3.44Å; K41-V51 WeakPolarHBondContact CA-O 3.19Å; K41-V51 WeakPolarHBondContact CB-O 3.26Å
42L91.6Very high81.2Confident49 Ų4981.7 Ų81.726%0.25749%0.489SS..EExtended strand (participates in β ladder)trans-119.5147.9176.8-64175.8000109.3P39 M50 V51 R53 L56P39-L42 HydrophobicContact CG-CD2 3.86Å; L42-M50 CarbonylContact O-C 3.6Å; L42-M50 WeakPolarHBondContact O-CA 2.74Å; L42-V51 PolarHBondContact N-O 2.74Å; L42-V51 PolarHBondContact O-N 2.56Å; L42-R53 HydrophobicContact CD1-CB 4.39Å; L42-R53 HydrophobicContact CD1-CG 4.05Å; L42-R53 HydrophobicContact CG-CB 4.47Å; L42-L56 HydrophobicContact CB-CD2 4.08Å; L42-L56 HydrophobicContact CD1-CD2 3.85Å
43A92.9Very high82.6Confident61 Ų6184.4 Ų84.450%0.50449%0.491SS..EExtended strand (participates in β ladder)trans-72.9129.2171.400000109.9K49 M50A43-K49 CarbonylContact C-O 3.58Å; A43-K49 WeakPolarHBondContact CA-O 3.32Å; A43-M50 HydrophobicContact CB-SD 4Å
44C91.6Very high84.1Confident2 Ų290.1 Ų90.11%0.01450%0.502CS..  trans-66.6128.4171.6175.40000110.1V46 S48 K49 V51 L56 C64C44-V46 PolarHBondContact O-N 3.19Å; C44-V46 PolarHBondContact SG-N 2.99Å; C44-V46 VanDerWaalsContact SG-N 3.41Å; C44-S48 WeakPolarHBondContact O-CA 3.35Å; C44-S48 PolarHBondContact O-N 3.38Å; C44-K49 PolarHBondContact N-O 3.03Å; C44-V51 HydrophobicContact CB-CG2 4.14Å; C44-L56 HydrophobicContact CB-CD1 4.17Å; C44-C64 VanDerWaalsContact SG-SG 3.63Å
45P88.7Confident85.6Confident109 Ų10984.3 Ų84.371%0.70848%0.479SS*.THydrogen-bonded Turntrans-68.2-15179.827.8-35.5000114L60P45-L60 HydrophobicContact CG-CD2 4.34Å
46V89.2Confident87Confident105 Ų10579.6 Ų79.664%0.63645%0.453SS*.THydrogen-bonded Turntrans-94.6-49.7-177.9-178.20000111.9C44 L60C44-V46 PolarHBondContact O-N 3.19Å; C44-V46 PolarHBondContact SG-N 2.99Å; C44-V46 VanDerWaalsContact SG-N 3.41Å; V46-L60 HydrophobicContact CB-CD2 4.42Å; V46-L60 HydrophobicContact CG2-CD2 3.72Å
47C91.8Very high88.2Confident13 Ų1379.1 Ų79.19%0.08845%0.451CS..THydrogen-bonded Turntrans-111.94-175.974.10000115K49 H59 C64C47-K49 HydrophobicContact CB-CG 4.48Å; C47-K49 PolarHBondContact O-N 2.87Å; C47-K49 VanDerWaalsContact SG-CG 3.59Å; C47-H59 PolarHBondContact SG-NE2 3.41Å; C47-C64 HydrophobicContact CB-CB 3.85Å; C47-C64 VanDerWaalsContact SG-SG 3.65Å
48S88.7Confident89.2Confident100 Ų10080.9 Ų80.970%0.69944%0.439SS*.  trans59.92.1-175.9-56.80000116.9C44C44-S48 WeakPolarHBondContact O-CA 3.35Å; C44-S48 PolarHBondContact O-N 3.38Å
49K88.8Confident90.2Very high89 Ų8978.1 Ų78.139%0.38742%0.418SS..  trans-71.7146.1-178.7-63.2-175.7-178.7-169.40111.9A43 C44 C47 V51 N66A43-K49 CarbonylContact C-O 3.58Å; A43-K49 WeakPolarHBondContact CA-O 3.32Å; C44-K49 PolarHBondContact N-O 3.03Å; C47-K49 HydrophobicContact CB-CG 4.48Å; C47-K49 PolarHBondContact O-N 2.87Å; C47-K49 VanDerWaalsContact SG-CG 3.59Å; K49-V51 PolarHBondContact O-N 3.23Å; K49-N66 PolarHBondContact NZ-O 3.34Å
50M92.7Very high90.9Very high121 Ų12176.8 Ų76.860%0.59641%0.407SS*.EExtended strand (participates in β ladder)trans-83.993.7179.6-73.2-69.5-78.800111.3K41 L42 A43K41-M50 HydrophobicContact CB-CB 4.37Å; K41-M50 HydrophobicContact CB-CE 4.03Å; K41-M50 HydrophobicContact CD-CB 4.46Å; L42-M50 CarbonylContact O-C 3.6Å; L42-M50 WeakPolarHBondContact O-CA 2.74Å; A43-M50 HydrophobicContact CB-SD 4Å
51V91.3Very high91.3Very high13 Ų1379.1 Ų79.18%0.07941%0.408CS..EExtended strand (participates in β ladder)trans-92.9142.5-176.9-170.70000110.2K41 L42 C44 K49 D55 L56 H59K41-V51 CarbonylContact C-O 3.44Å; K41-V51 WeakPolarHBondContact CA-O 3.19Å; K41-V51 WeakPolarHBondContact CB-O 3.26Å; L42-V51 PolarHBondContact N-O 2.74Å; L42-V51 PolarHBondContact O-N 2.56Å; C44-V51 HydrophobicContact CB-CG2 4.14Å; K49-V51 PolarHBondContact O-N 3.23Å; V51-D55 HydrophobicContact CG1-CB 3.96Å; V51-L56 HydrophobicContact CB-CD1 4.24Å; V51-L56 HydrophobicContact CG2-CD1 4.35Å; V51-H59 HydrophobicContact CG1-CB 3.83Å; V51-H59 HydrophobicContact CG2-CB 4.2Å; V51-H59 VanDerWaalsContact CG2-CD2 3.48Å; V51-H59 WeakPolarHBondContact CG2-CD2 3.36Å
52P94.2Very high91.3Very high48 Ų4878.6 Ų78.631%0.31241%0.407SS..EExtended strand (participates in β ladder)trans-54.6141.5171.5-23.133.6000112.3A40 Y54 D55 L56A40-P52 WeakPolarHBondContact O-CA 3.41Å; P52-Y54 PolarHBondContact O-N 3.33Å; P52-Y54 VanDerWaalsContact O-N 3.1Å; P52-D55 HydrophobicContact CB-CB 4.16Å; P52-D55 VanDerWaalsContact CB-OD2 3.32Å; P52-D55 WeakPolarHBondContact CB-OD2 3.32Å; P52-D55 HydrophobicContact CG-CB 4.42Å; P52-D55 WeakPolarHBondContact CG-OD2 3.47Å; P52-D55 PolarHBondContact O-N 3.44Å; P52-L56 PolarHBondContact O-N 3.24Å; P52-L56 VanDerWaalsContact O-N 3.12Å
53R90.8Very high90.9Very high116 Ų11683.7 Ų83.744%0.43843%0.432SS..THydrogen-bonded Turntrans-53.6-37.3-172.1176.4178.4171.791.64.5113.8A40 L42A40-R53 PolarHBondContact O-N 3.25Å; L42-R53 HydrophobicContact CD1-CB 4.39Å; L42-R53 HydrophobicContact CD1-CG 4.05Å; L42-R53 HydrophobicContact CG-CB 4.47Å
54Y92.6Very high90.6Very high203 Ų20380.9 Ų80.980%0.79641%0.408SS*.THydrogen-bonded Turntrans-82.6-15.1-179.5-57.5-75.1000113.6P52P52-Y54 PolarHBondContact O-N 3.33Å; P52-Y54 VanDerWaalsContact O-N 3.1Å
55D91.7Very high89.6Confident48 Ų4884.6 Ų84.626%0.25744%0.439SS..THydrogen-bonded Turntrans-101.5-8.2-178.3-61.2-39.6000112.8V51 P52 N57 R58 H59V51-D55 HydrophobicContact CG1-CB 3.96Å; P52-D55 HydrophobicContact CB-CB 4.16Å; P52-D55 VanDerWaalsContact CB-OD2 3.32Å; P52-D55 WeakPolarHBondContact CB-OD2 3.32Å; P52-D55 HydrophobicContact CG-CB 4.42Å; P52-D55 WeakPolarHBondContact CG-OD2 3.47Å; P52-D55 PolarHBondContact O-N 3.44Å; D55-N57 VanDerWaalsContact C-N 3.32Å; D55-N57 PolarHBondContact O-N 3.08Å; D55-R58 PolarHBondContact O-N 2.84Å; D55-R58 IonicContact OD1-CZ 3.76Å; D55-R58 IonicContact OD1-NH1 2.7Å; D55-R58 PolarHBondContact OD1-NH1 3.49Å; D55-R58 IonicContact OD1-NH2 3.17Å; D55-R58 PolarHBondContact OD1-NH2 3.11Å; D55-R58 IonicContact OD2-NH2 3.99Å; D55-H59 WeakPolarHBondContact O-CB 3.32Å; D55-H59 PolarHBondContact O-N 3.18Å
56L91.8Very high88.4Confident24 Ų2486 Ų8613%0.12644%0.44CS..Hα-helixtrans-57.3-41.7-176.3178.562.1000112.8L42 C44 V51 P52 H59 L60L42-L56 HydrophobicContact CB-CD2 4.08Å; L42-L56 HydrophobicContact CD1-CD2 3.85Å; C44-L56 HydrophobicContact CB-CD1 4.17Å; V51-L56 HydrophobicContact CB-CD1 4.24Å; V51-L56 HydrophobicContact CG2-CD1 4.35Å; P52-L56 PolarHBondContact O-N 3.24Å; P52-L56 VanDerWaalsContact O-N 3.12Å; L56-H59 PolarHBondContact O-N 2.98Å; L56-L60 HydrophobicContact CD1-CD1 4.43Å; L56-L60 HydrophobicContact CG-CD1 4.3Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.68Å; L56-L60 VanDerWaalsContact O-N 3.12Å
57N90.6Very high86.6Confident114 Ų11484.3 Ų84.361%0.6143%0.428SS*.Hα-helixtrans-64.5-52.3177.4-67.514.1000110.3D55 H59 L60 D61D55-N57 VanDerWaalsContact C-N 3.32Å; D55-N57 PolarHBondContact O-N 3.08Å; N57-H59 PolarHBondContact O-N 3.48Å; N57-L60 CarbonylContact O-C 3.57Å; N57-L60 WeakPolarHBondContact O-CA 3.43Å; N57-L60 WeakPolarHBondContact O-CB 3.32Å; N57-L60 PolarHBondContact O-N 2.83Å; N57-D61 PolarHBondContact O-N 3.06Å; N57-D61 VanDerWaalsContact O-OD2 3.07Å
58R92Very high84.3Confident122 Ų12291 Ų9146%0.4646%0.463SS..Hα-helixtrans-54.9-39.2177.8-175.2173.271.4-100.44.2112.3D55 L60 D61 E62D55-R58 PolarHBondContact O-N 2.84Å; D55-R58 IonicContact OD1-CZ 3.76Å; D55-R58 IonicContact OD1-NH1 2.7Å; D55-R58 PolarHBondContact OD1-NH1 3.49Å; D55-R58 IonicContact OD1-NH2 3.17Å; D55-R58 PolarHBondContact OD1-NH2 3.11Å; D55-R58 IonicContact OD2-NH2 3.99Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.48Å; R58-D61 PolarHBondContact O-N 3.33Å; R58-E62 HydrophobicContact CG-CG 4.41Å; R58-E62 WeakPolarHBondContact CG-OE1 3.4Å; R58-E62 IonicContact NE-OE1 2.77Å; R58-E62 VanDerWaalsContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 2.7Å
59H93.2Very high81.9Confident27 Ų2793 Ų9313%0.12546%0.459CS..Hα-helixtrans-68.2-29.5175.9173.976.2000114.3C47 V51 D55 L56 N57 C64C47-H59 PolarHBondContact SG-NE2 3.41Å; V51-H59 HydrophobicContact CG1-CB 3.83Å; V51-H59 HydrophobicContact CG2-CB 4.2Å; V51-H59 VanDerWaalsContact CG2-CD2 3.48Å; V51-H59 WeakPolarHBondContact CG2-CD2 3.36Å; D55-H59 WeakPolarHBondContact O-CB 3.32Å; D55-H59 PolarHBondContact O-N 3.18Å; L56-H59 PolarHBondContact O-N 2.98Å; N57-H59 PolarHBondContact O-N 3.48Å; H59-C64 PolarHBondContact NE2-SG 2.87Å; H59-C64 PolarHBondContact O-N 2.89Å; H59-C64 VanDerWaalsContact O-N 3.11Å
60L90.9Very high79.4Confident55 Ų5595.2 Ų95.229%0.28848%0.48SS..Hα-helixtrans-75.3-40.3171.5-69.2165.6000110.8P45 V46 L56 N57 R58 E62 M63P45-L60 HydrophobicContact CG-CD2 4.34Å; V46-L60 HydrophobicContact CB-CD2 4.42Å; V46-L60 HydrophobicContact CG2-CD2 3.72Å; L56-L60 HydrophobicContact CD1-CD1 4.43Å; L56-L60 HydrophobicContact CG-CD1 4.3Å; L56-L60 WeakPolarHBondContact O-CG 3.4Å; L56-L60 PolarHBondContact O-N 2.68Å; L56-L60 VanDerWaalsContact O-N 3.12Å; N57-L60 CarbonylContact O-C 3.57Å; N57-L60 WeakPolarHBondContact O-CA 3.43Å; N57-L60 WeakPolarHBondContact O-CB 3.32Å; N57-L60 PolarHBondContact O-N 2.83Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.48Å; L60-E62 VanDerWaalsContact C-N 3.3Å; L60-E62 PolarHBondContact O-N 2.81Å; L60-M63 WeakPolarHBondContact O-CA 3.19Å; L60-M63 PolarHBondContact O-N 3.07Å
61D91.8Very high76.8Confident131 Ų13197.5 Ų97.570%0.70149%0.489SS*.Hα-helixtrans-62.9-37.6174.3-55.3-41000111.2N57 R58 M63N57-D61 PolarHBondContact O-N 3.06Å; N57-D61 VanDerWaalsContact O-OD2 3.07Å; R58-D61 PolarHBondContact O-N 3.33Å; D61-M63 PolarHBondContact O-N 3.05Å
62E89.8Confident74Confident101 Ų101102.5 Ų102.547%0.47252%0.52SS..THydrogen-bonded Turntrans-72.28.5170.6-72.1167.5-172.600113.5R58 L60 C64 A65R58-E62 HydrophobicContact CG-CG 4.41Å; R58-E62 WeakPolarHBondContact CG-OE1 3.4Å; R58-E62 IonicContact NE-OE1 2.77Å; R58-E62 VanDerWaalsContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CB 3.29Å; R58-E62 WeakPolarHBondContact O-CG 3.48Å; R58-E62 PolarHBondContact O-N 2.7Å; L60-E62 VanDerWaalsContact C-N 3.3Å; L60-E62 PolarHBondContact O-N 2.81Å; E62-C64 PolarHBondContact O-N 2.88Å; E62-A65 WeakPolarHBondContact O-CB 3.35Å; E62-A65 PolarHBondContact O-N 3.04Å
63M84.3Confident71Confident156 Ų156106.8 Ų106.877%0.76854%0.54SS*.THydrogen-bonded Turntrans50.929.6177.9-72.2-69.2-65.400114.4L60 D61 A65L60-M63 WeakPolarHBondContact O-CA 3.19Å; L60-M63 PolarHBondContact O-N 3.07Å; D61-M63 PolarHBondContact O-N 3.05Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 3.24Å
64C87.5Confident68.6Low2 Ų2106.9 Ų106.91%0.01456%0.555CS.*THydrogen-bonded Turntrans55.534.3-173.4-52.80000114.6C44 C47 H59 E62 N66 N67C44-C64 VanDerWaalsContact SG-SG 3.63Å; C47-C64 HydrophobicContact CB-CB 3.85Å; C47-C64 VanDerWaalsContact SG-SG 3.65Å; H59-C64 PolarHBondContact NE2-SG 2.87Å; H59-C64 PolarHBondContact O-N 2.89Å; H59-C64 VanDerWaalsContact O-N 3.11Å; E62-C64 PolarHBondContact O-N 2.88Å; C64-N66 CarbonylContact O-C 3.46Å; C64-N66 PolarHBondContact O-N 3.42Å; C64-N67 VanDerWaalsContact O-CG 3.24Å; C64-N67 PolarHBondContact O-ND2 3.07Å; C64-N67 PolarHBondContact O-OD1 2.9Å
65A69.8Low65.7Low80 Ų80100.5 Ų100.566%0.66155%0.551SS**  trans-44.1-27.3-167.900000118.2E62 M63 N67E62-A65 WeakPolarHBondContact O-CB 3.35Å; E62-A65 PolarHBondContact O-N 3.04Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 3.24Å; A65-N67 PolarHBondContact O-N 3.13Å
66N63.4Low63Low137 Ų137107.8 Ų107.873%0.73358%0.584SS**  trans-8577.3171.9-68.9-37.5000110.8K49 C64K49-N66 PolarHBondContact NZ-O 3.34Å; C64-N66 CarbonylContact O-C 3.46Å; C64-N66 PolarHBondContact O-N 3.42Å
67N51.2Low60.2Low70 Ų70113.6 Ų113.637%0.37462%0.62SS.*  trans-115.669.7-174-99-14.4000113.8C64 A65 F69C64-N67 VanDerWaalsContact O-CG 3.24Å; C64-N67 PolarHBondContact O-ND2 3.07Å; C64-N67 PolarHBondContact O-OD1 2.9Å; A65-N67 PolarHBondContact O-N 3.13Å; N67-F69 VanDerWaalsContact C-N 3.26Å; N67-F69 HydrophobicContact CB-CD2 4.06Å; N67-F69 HydrophobicContact CB-CE2 4.45Å; N67-F69 PolarHBondContact O-N 2.98Å
68D43.5Very low57.2Low155 Ų155111.4 Ų111.483%0.82963%0.625SS**  trans-65.982.2162.9-65.9-51.2000111
69F38.9Very low54.2Low140 Ų140114.1 Ų114.161%0.61465%0.647SS**  trans-92.6105172.8-96.7-96.3000110.5N67 Q71N67-F69 VanDerWaalsContact C-N 3.26Å; N67-F69 HydrophobicContact CB-CD2 4.06Å; N67-F69 HydrophobicContact CB-CE2 4.45Å; N67-F69 PolarHBondContact O-N 2.98Å; F69-Q71 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 3.45Å; F69-Q71 VanDerWaalsContact O-N 3.11Å
70V36.2Very low51.2Low136 Ų136119.7 Ų119.782%0.82468%0.676SS**  trans-78.688161.8-178.70000108.1V72V70-V72 HydrophobicContact CG1-CG2 4.23Å
71Q38.1Very low48.4Very low169 Ų169123.8 Ų123.879%0.7970%0.698SS**  trans-93.5131170.6-175.1171.1-15.600109.5F69F69-Q71 VanDerWaalsContact C-N 3.34Å; F69-Q71 PolarHBondContact O-N 3.45Å; F69-Q71 VanDerWaalsContact O-N 3.11Å
72V31.9Very low45.6Very low119 Ų119121.8 Ų121.872%0.72170%0.695SS**  trans-110116.8-171.5174.40000111.1V70V70-V72 HydrophobicContact CG1-CG2 4.23Å
73D31.9Very low42.8Very low137 Ų137124 Ų12473%0.73371%0.71SS**  trans66.1161163.1-112.723.6000118.4
74P40.8Very low40.2Very low118 Ų118122.8 Ų122.877%0.76671%0.711SS**  cis-123.9135.65.237.1-20.5000118
75G31Very low37.3Very low69 Ų69127.6 Ų127.671%0.71175%0.745SS**  trans73.992.9132.900000120
76Q35.1Very low35.2Very low201 Ų201132 Ų13294%0.93975%0.754SS**  trans-141.1151.5137.9-126.117718.500112
77V32Very low33.7Very low147 Ų147131.2 Ų131.289%0.89175%0.754SS**  trans-87.3124.9-170.5179.30000109.8
78G27.7Very low32.4Very low68 Ų68134.4 Ų134.470%0.70177%0.77SS**  trans-87-169.9-175.600000114.9
79L29.6Very low31.8Very low178 Ų178133.7 Ų133.793%0.93277%0.766SS**  trans-144.4162.5154.6-16057.1000110.1
80I30.3Very low31.3Very low144 Ų144132.9 Ų132.974%0.73877%0.773SS**  trans-117.6136.2-163.3-55.7164.2000110.5
81N31.5Very low31.3Very low141 Ų141130.9 Ų130.975%0.75477%0.765SS**  trans169122.7138.1-88.6-40.6000108.8
82S34.3Very low31Very low89 Ų89129.1 Ų129.162%0.62277%0.765SS**  76.8142.56388.50000112.2
83N30.3Very low30.8Very low148 Ų148128.9 Ų128.979%0.79176%0.764SS**  cis-159.9-168.215.7-136.7-22.9000111.8
84V29.3Very low30.8Very low130 Ų130129 Ų12979%0.78876%0.764SS**  trans81.2123.2170.7-1690000115.6
85S26.5Very low30.3Very low104 Ų104130.9 Ų130.973%0.72776%0.763SS**  cis108.4111.12.6-163.60000117.6
86M25.6Very low30.2Very low173 Ų173133.6 Ų133.685%0.85276%0.761SS**  trans-162107.2154.6-162.3159.3-77.600106.9
87V31.8Very low30.1Very low120 Ų120130 Ų13073%0.72775%0.753SS**  64124.197.8174.80000112.4
88D25.3Very low30.1Very low136 Ų136128 Ų12873%0.72774%0.741SS**  cis-151.6168.414.4-138.5-15.5000116.8
89L29.7Very low31.2Very low140 Ų140130.1 Ų130.173%0.73374%0.742SS**  trans-12.7134.7155-106.658.5000118.1
90T29.3Very low31.1Very low124 Ų124130.6 Ų130.676%0.76174%0.737SS**  176.6163.665.421.20000108.6
91S36Very low30.9Very low93 Ų93133.4 Ų133.465%0.6574%0.743SS**  cis-170.2143.8-4.949.30000111.9
92V31.4Very low30.6Very low132 Ų132131.7 Ų131.780%0.874%0.742SS**  trans69.5137.1144.3172.60000117.1
93T28.1Very low30.9Very low114 Ų114132.7 Ų132.770%0.69975%0.747SS**  cis-152.4146.129.6-11.90000113.1
94L31.7Very low31.4Very low141 Ų141131 Ų13174%0.73874%0.744SS**  trans29.7150.4140.4-54.2175.6000122.2
95E29.7Very low32.1Very low156 Ų156130 Ų13073%0.72974%0.741SS**  cis-152.7136.33.7-121.5159.9-14600108.2
96D28.8Very low32.2Very low126 Ų126134.3 Ų134.367%0.67475%0.746SS**  70144.391.6-144.633.8000114
97V32.8Very low32.2Very low127 Ų127132.1 Ų132.177%0.7774%0.742SS**  -144.5151.651.2176.50000115.2
98T33.2Very low32Very low105 Ų105133.4 Ų133.464%0.64475%0.745SS**  trans-51.1165.9-175.663.40000122.2
99P49.3Very low32.1Very low112 Ų112135.1 Ų135.173%0.72775%0.753SS**  trans-110.9-177.5-177.843.4-36.5000115.3
100K27.4Very low32.1Very low187 Ų187134.7 Ų134.781%0.81376%0.757SS**  trans-166.6130.8155.6-107.7139.8-167.9164.90118.6
101K27.4Very low32.6Very low203 Ų203135 Ų13588%0.88376%0.761SS**  trans66.1151.1137.8-74.1-174.9174.6-171.90123.5
102S24.4Very low32Very low105 Ų105134.1 Ų134.173%0.73477%0.767SS**  trans-136-161.8-179.263.20000108.4
103P40.9Very low31.9Very low111 Ų111137 Ų13772%0.72177%0.772SS**  cis-119.3-131.6-3732.4-9.6000107.4
104P40.2Very low31.9Very low113 Ų113135.9 Ų135.973%0.73477%0.768SS**  cis-124.6-113.2-24.829.7-2.9000113.6
105P45.4Very low31.7Very low109 Ų109136.6 Ų136.671%0.70877%0.773SS**  trans-140.4-177.9-139.442.4-19.5000118.6
106K27.9Very low31.9Very low194 Ų194135 Ų13584%0.84378%0.779SS**  180142.4129.1-104.9168.5-175.9178.10117.8
107T24.8Very low31.9Very low126 Ų126133.4 Ų133.477%0.77378%0.783SS**  trans75.6141.8144.6-51.70000120.8
108N28.5Very low31.9Very low147 Ų147137.2 Ų137.279%0.78679%0.789SS**  trans-95.9165.9-179.3-45.5-72.6000112.8
109L27.1Very low31.8Very low172 Ų172143.7 Ų143.790%0.90180%0.802SS**  179158.2126-96.6168.3000112.6
110T28.9Very low31Very low132 Ų132145.8 Ų145.881%0.8180%0.802SS**  trans-138174.2173.122.40000108.1
111P40Very low31.5Very low130 Ų130143.2 Ų143.284%0.84480%0.801SS**  cis-129.3-173.13.842.2-26.2000114.6
112G24.2Very low32Very low75 Ų75141.4 Ų141.477%0.77379%0.794SS**  trans-163.9143.116600000113
113Q29.7Very low32.8Very low193 Ų193144.8 Ų144.890%0.90280%0.798SS**  trans-87.8170.1171.2-63.3170.8-47.400109
114S28.1Very low32.9Very low90 Ų90149.3 Ų149.363%0.62981%0.806SS**  cis-159.8169.629-44.80000114.3
115D28.1Very low33.5Very low156 Ų156150.3 Ų150.383%0.83480%0.804SS**  trans76.4150.6141.4-62.9-31.5000125
116S32.1Very low33.7Very low123 Ų123149 Ų14986%0.8680%0.798SS**  trans78.1116.5161.1-153.70000118.6
117A30.3Very low34.5Very low91 Ų91144.9 Ų144.975%0.75279%0.79SS**  trans-101.4152.6177.100000112.4
118K31.4Very low35.1Very low207 Ų207149 Ų14990%0.979%0.794SS**  trans-154.1132.6146.7-108.5163.1-171.4179.20110
119R32.2Very low35.9Very low241 Ų241150.3 Ų150.391%0.90979%0.792SS**  trans-80.8128.8168.2-79.1179.7169.5180-4108.6
120E31.8Very low36.9Very low157 Ų157150.7 Ų150.773%0.73479%0.787SS**  trans-110.8111.8157.3-75.7-168.9163.300109.3K122E120-K122 PolarHBondContact O-N 2.88Å
121V37.4Very low37.4Very low132 Ų132149.5 Ų149.580%0.878%0.784SS**  trans-81.4101168.9177.90000107.3Q123V121-Q123 PolarHBondContact O-N 2.94Å
122K39.5Very low37.2Very low165 Ų165150.8 Ų150.872%0.71778%0.784SS**  trans-77.2106.6176.7-67.1-172.5177.5-176.70109.8E120 K124E120-K122 PolarHBondContact O-N 2.88Å; K122-K124 PolarHBondContact O-N 3.2Å
123Q41Very low37.6Very low177 Ų177155 Ų15583%0.82779%0.789SS**  trans-54.8131.7169.8-69.8172.2-3200109.8V121V121-Q123 PolarHBondContact O-N 2.94Å
124K42.9Very low37.8Very low206 Ų206152.2 Ų152.290%0.89678%0.784SS**  trans-101.791.3-179.5-71.1-177.4-179.6176.30110K122K122-K124 PolarHBondContact O-N 3.2Å
125I52.3Low38.1Very low133 Ų133154.1 Ų154.168%0.68279%0.792SS**  trans-77.2138.9171.6-58.5175.2000109.5F129I125-F129 HydrophobicContact CG2-CB 4.3Å
126S49.6Very low38.1Very low83 Ų83152.2 Ų152.258%0.5879%0.789SS**  trans-60.8156.7179.9-77.30000113.8Y128S126-Y128 PolarHBondContact O-N 3.2Å
127P45.4Very low38Very low106 Ų106155.4 Ų155.469%0.68879%0.788SS**G310 helixtrans-62.5-19.2-163.6-2636000116.7F129P127-F129 PolarHBondContact O-N 3.08Å
128Y36Very low38.1Very low214 Ų214158.5 Ų158.584%0.83979%0.792SS**G310 helixtrans-77.1-13.3-170.3-73.7-86.6000115.3S126S126-Y128 PolarHBondContact O-N 3.2Å
129F46.5Very low38.1Very low173 Ų173157.8 Ų157.876%0.75979%0.792SS**G310 helixtrans-113.123.6-173.6-72.4-75000115.2I125 P127 S131I125-F129 HydrophobicContact CG2-CB 4.3Å; P127-F129 PolarHBondContact O-N 3.08Å; F129-S131 PolarHBondContact O-N 3.43Å; F129-S131 VanDerWaalsContact O-N 3.16Å
130K47.7Very low38.3Very low180 Ų180154.1 Ų154.178%0.78379%0.79SS**  trans-78.596.2172.8-74.5-173.3175.2-179.50112
131S40.3Very low38.2Very low108 Ų108155 Ų15576%0.75579%0.794SS**PPolyproline II helixtrans-67.7147.9157.5470000110.4F129F129-S131 PolarHBondContact O-N 3.43Å; F129-S131 VanDerWaalsContact O-N 3.16Å
132N33.9Very low38.6Very low156 Ų156157.2 Ų157.283%0.83480%0.801SS**PPolyproline II helixtrans-79.8121.9178.9-68.9-53.2000110.7V134N132-V134 PolarHBondContact O-N 3.38Å
133D32.6Very low38.3Very low165 Ų165159.9 Ų159.988%0.88281%0.806SS**PPolyproline II helixtrans-61.6129173.4-88.2-47.9000111.9
134V35.3Very low38.7Very low133 Ų133159.9 Ų159.981%0.80681%0.812SS**  trans-111.2119.2164.7176.90000107.7N132 C136N132-V134 PolarHBondContact O-N 3.38Å; V134-C136 PolarHBondContact O-N 2.94Å
135V33.3Very low38.4Very low131 Ų131161.3 Ų161.379%0.79481%0.812SS**PPolyproline II helixtrans-51.2116.9-171.4177.90000112.5
136C28.8Very low37.8Very low115 Ų115160.3 Ų160.378%0.77782%0.816SS**PPolyproline II helixtrans-96.2137.3160.8-163.20000109.5V134V134-C136 PolarHBondContact O-N 2.94Å
137K30.4Very low37.4Very low190 Ų190162.7 Ų162.783%0.82683%0.827SS**PPolyproline II helixtrans-99.2128.3173.3-73.1-175.3175.9-177.40109.4
138N32Very low37.4Very low157 Ų157166.4 Ų166.484%0.8483%0.832SS**PPolyproline II helixtrans-68.4132175.3-62.1-28.5000111.2
139Q31.9Very low37.8Very low191 Ų191161.7 Ų161.789%0.89383%0.825SS**  trans-140.9135.3145.1-80.4-162.7-34.100108.5
140D35.1Very low37.6Very low164 Ų164160 Ų16088%0.87782%0.823SS**  trans-68.4136.8165-73.7-71.6000110.4
141E31.3Very low37.3Very low175 Ų175156.8 Ų156.882%0.81882%0.822SS**  trans-158.3125.3134-127.3-173.4-160.200112R143E141-R143 PolarHBondContact O-N 3.2Å
142L44Very low37.6Very low179 Ų179159.5 Ų159.594%0.93783%0.827SS**  trans-78.797.5175.4-77.4168.8000110.9
143R33.2Very low38.1Very low221 Ų221155.1 Ų155.183%0.83482%0.819SS**  trans-133.3127.8160.1-86.1-169.6176.1-94.1-1.6113.1E141 R145E141-R143 PolarHBondContact O-N 3.2Å; R143-R145 PolarHBondContact O-N 2.94Å; R143-R145 VanDerWaalsContact O-N 3.08Å
144N49.4Very low39Very low177 Ų177151.7 Ų151.795%0.94781%0.807SS**  trans-52.1110.8174.6-66.8-37.9000111.4
145R36.8Very low39.6Very low237 Ų237152.5 Ų152.589%0.89481%0.806SS**  trans-100.6116.8174.9-163.4170.3-170.7154.62.1109.2R143 V147R143-R145 PolarHBondContact O-N 2.94Å; R143-R145 VanDerWaalsContact O-N 3.08Å; R145-V147 PolarHBondContact O-N 3.45Å
146S40.9Very low40.1Very low111 Ų111149.3 Ų149.378%0.77679%0.794SS**  trans-62.9126.2-174.741.90000112.2K148S146-K148 PolarHBondContact O-N 3.39Å
147V39.8Very low41.1Very low133 Ų133147.6 Ų147.681%0.80678%0.783SS**  trans-71.295.4175-179.20000108.8R145 V149R145-V147 PolarHBondContact O-N 3.45Å; V147-V149 HydrophobicContact CG1-CG2 4.17Å; V147-V149 PolarHBondContact O-N 3.45Å
148K45.6Very low41.8Very low185 Ų185146.9 Ų146.980%0.80478%0.78SS**  trans-82.790.9171.1-168171.8-172.8174.30109.3S146 I150S146-K148 PolarHBondContact O-N 3.39Å; K148-I150 PolarHBondContact O-N 3.35Å; K148-I150 VanDerWaalsContact O-N 3.09Å
149V45.4Very low42.3Very low114 Ų114145.7 Ų145.769%0.69177%0.773SS**  trans-56.5114.4172.2-179.80000109V147 C151V147-V149 HydrophobicContact CG1-CG2 4.17Å; V147-V149 PolarHBondContact O-N 3.45Å; V149-C151 PolarHBondContact O-N 2.88Å
150I42.6Very low43.5Very low138 Ų138140 Ų14071%0.70875%0.754SS**  trans-89.298.7171.7-58.4179.1000107K148 L152K148-I150 PolarHBondContact O-N 3.35Å; K148-I150 VanDerWaalsContact O-N 3.09Å; I150-L152 PolarHBondContact O-N 2.86Å
151C41.4Very low44Very low112 Ų112141.3 Ų141.376%0.75775%0.747SS**  trans-61.3110.5169.1-60.60000108.9V149 G153V149-C151 PolarHBondContact O-N 2.88Å; C151-G153 VanDerWaalsContact C-N 3.3Å; C151-G153 PolarHBondContact O-N 2.64Å
152L44.8Very low44.8Very low166 Ų166141.2 Ų141.287%0.86974%0.744SS**  trans-67.690.9171.4-66.6178000108.5I150 S154I150-L152 PolarHBondContact O-N 2.86Å; L152-S154 PolarHBondContact O-N 3.07Å
153G46Very low45.1Very low64 Ų64141 Ų14166%0.6673%0.732SS**  trans-55.5128-17300000112.4C151 L155C151-G153 VanDerWaalsContact C-N 3.3Å; C151-G153 PolarHBondContact O-N 2.64Å; G153-L155 PolarHBondContact O-N 2.96Å
154S50.4Low46Very low92 Ų92134.9 Ų134.964%0.64372%0.719SS**  trans-48.2122.8-169.91790000113.4L152 A156 S157L152-S154 PolarHBondContact O-N 3.07Å; S154-A156 PolarHBondContact O-N 3.5Å; S154-A156 VanDerWaalsContact O-N 3.08Å; S154-S157 PolarHBondContact O-N 3.26Å
155L48.6Very low46.1Very low150 Ų150134.9 Ų134.979%0.78571%0.71SS**THydrogen-bonded Turntrans-58.7-24.1-176.3-73166.2000113.1G153 S157 K158G153-L155 PolarHBondContact O-N 2.96Å; L155-S157 PolarHBondContact O-N 3.49Å; L155-S157 VanDerWaalsContact O-N 3.13Å; L155-K158 PolarHBondContact O-N 2.84Å; L155-K158 VanDerWaalsContact O-N 3.16Å
156A44.1Very low46.8Very low65 Ų65126 Ų12654%0.53769%0.688SS.*Hα-helixtrans-51.9-35175.600000113.3S154 K158 L159S154-A156 PolarHBondContact O-N 3.5Å; S154-A156 VanDerWaalsContact O-N 3.08Å; A156-K158 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 3.33Å
157S48.5Very low47.2Very low78 Ų78126.2 Ų126.255%0.54568%0.675SS.*Hα-helixtrans-65.9-19.4-176.4-1670000114.2S154 L155S154-S157 PolarHBondContact O-N 3.26Å; L155-S157 PolarHBondContact O-N 3.49Å; L155-S157 VanDerWaalsContact O-N 3.13Å
158K44.9Very low47.6Very low175 Ų175127.9 Ų127.976%0.76167%0.672SS**Hα-helixtrans-93.9-16.3179.2-73.4-174.1178.6176.50114.5L155 A156L155-K158 PolarHBondContact O-N 2.84Å; L155-K158 VanDerWaalsContact O-N 3.16Å; A156-K158 PolarHBondContact O-N 2.92Å
159L43.2Very low47.8Very low132 Ų132122.5 Ų122.569%0.69166%0.657SS**Hα-helixtrans-78-40.1175.6-65177.3000112.2A156 R161 K162 Y163A156-L159 PolarHBondContact O-N 3.33Å; L159-R161 PolarHBondContact O-N 3.12Å; L159-R161 VanDerWaalsContact O-N 3.1Å; L159-K162 PolarHBondContact O-N 2.89Å; L159-Y163 PolarHBondContact O-N 3.32Å
160S56.3Low48.1Very low72 Ų72122.7 Ų122.750%0.50365%0.653SS.*Hα-helixtrans-48-41.1177.7168.20000113.5K162 Y163 V164S160-K162 VanDerWaalsContact C-N 3.29Å; S160-K162 PolarHBondContact O-N 3.31Å; S160-Y163 PolarHBondContact O-N 3.4Å; S160-V164 PolarHBondContact O-N 3.26Å
161R47.4Very low48.2Very low191 Ų191121.4 Ų121.472%0.72165%0.648SS**Hα-helixtrans-70.3-15.2-177.2-112.4176.1-75.6-143.8-4.3115.4L159L159-R161 PolarHBondContact O-N 3.12Å; L159-R161 VanDerWaalsContact O-N 3.1Å
162K47.9Very low48.5Very low173 Ų173123.5 Ų123.575%0.75264%0.644SS**Hα-helixtrans-84.9-42.3167.5-83.8-170.5171.9-174.10111.6L159 S160 V164 K165 A166L159-K162 PolarHBondContact O-N 2.89Å; S160-K162 VanDerWaalsContact C-N 3.29Å; S160-K162 PolarHBondContact O-N 3.31Å; K162-V164 PolarHBondContact O-N 3.22Å; K162-K165 PolarHBondContact O-N 2.88Å; K162-K165 VanDerWaalsContact O-N 3.15Å; K162-A166 PolarHBondContact O-N 2.96Å; K162-A166 VanDerWaalsContact O-N 3.14Å
163Y49.6Very low48.5Very low175 Ų175122.7 Ų122.769%0.68664%0.641SS**Hα-helixtrans-60.6-48.1-176.5-171.5-109.6000112.8L159 S160 K165 A166 K167L159-Y163 PolarHBondContact O-N 3.32Å; S160-Y163 PolarHBondContact O-N 3.4Å; Y163-K165 PolarHBondContact O-N 3.5Å; Y163-A166 PolarHBondContact O-N 3.24Å; Y163-A166 VanDerWaalsContact O-N 3.14Å; Y163-K167 PolarHBondContact O-N 3.31Å
164V52.8Low48.4Very low93 Ų93128.8 Ų128.856%0.56465%0.652SS**Hα-helixtrans-60.3-31177.8178.30000112.2S160 K162 K168S160-V164 PolarHBondContact O-N 3.26Å; K162-V164 PolarHBondContact O-N 3.22Å; V164-K168 PolarHBondContact O-N 3.3Å
165K50.4Low47.9Very low176 Ų176132.4 Ų132.477%0.76566%0.659SS**Hα-helixtrans-80.1-26.4-179.8-146.9179-174.8-173.20113.2K162 Y163K162-K165 PolarHBondContact O-N 2.88Å; K162-K165 VanDerWaalsContact O-N 3.15Å; Y163-K165 PolarHBondContact O-N 3.5Å
166A51.3Low47.4Very low52 Ų52135.7 Ų135.743%0.4367%0.667SS.*Hα-helixtrans-80.7-37.3173.900000112.5K162 Y163 K168 S169K162-A166 PolarHBondContact O-N 2.96Å; K162-A166 VanDerWaalsContact O-N 3.14Å; Y163-A166 PolarHBondContact O-N 3.24Å; Y163-A166 VanDerWaalsContact O-N 3.14Å; A166-K168 VanDerWaalsContact C-N 3.34Å; A166-K168 PolarHBondContact O-N 3.16Å; A166-S169 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-OG 3.42Å
167K51.2Low46.8Very low114 Ų114137.5 Ų137.550%0.49668%0.682SS.*Hα-helixtrans-64.7-39.5176.4-166.7176.2179-178.40112Y163 S169 I170 D171Y163-K167 PolarHBondContact O-N 3.31Å; K167-S169 PolarHBondContact O-N 2.97Å; K167-I170 PolarHBondContact O-N 3.43Å; K167-D171 PolarHBondContact O-N 3.28Å
168K47.9Very low46Very low169 Ų169137.5 Ų137.574%0.73569%0.694SS**THydrogen-bonded Turntrans-70.64.4178.8-149.3171.9-174.2175.20115.1V164 A166V164-K168 PolarHBondContact O-N 3.3Å; A166-K168 VanDerWaalsContact C-N 3.34Å; A166-K168 PolarHBondContact O-N 3.16Å
169S49.2Very low45.5Very low72 Ų72135 Ų13550%0.50370%0.699SS.*THydrogen-bonded Turntrans-113.43166.948.60000113.5A166 K167A166-S169 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-OG 3.42Å; K167-S169 PolarHBondContact O-N 2.97Å
170I52.2Low44.9Very low118 Ų118133.7 Ų133.761%0.60570%0.701SS**THydrogen-bonded Turntrans-102-38.8172-65169.8000109.6K167 K172K167-I170 PolarHBondContact O-N 3.43Å; I170-K172 PolarHBondContact O-N 3.26Å
171D44.1Very low44.3Very low110 Ų110136 Ų13659%0.58871%0.714SS**THydrogen-bonded Turntrans-6938.7174-48-38.1000112.8K167K167-D171 PolarHBondContact O-N 3.28Å
172K46.8Very low43.5Very low157 Ų157135.5 Ų135.568%0.68372%0.72SS**THydrogen-bonded Turntrans-140.1-23.7-170.1-96.7-78.8171.8-172.20114.6I170I170-K172 PolarHBondContact O-N 3.26Å
173D46.3Very low42.7Very low149 Ų149132.3 Ų132.380%0.79772%0.719SS**SBendtrans-109.57.3-174-62.4-30.7000113.3
174E44.3Very low41.9Very low191 Ų191128.8 Ų128.889%0.89372%0.72SS**SBendtrans-113.321.6-176.9-149.9169.2-13100113.4
175E38.8Very low40.8Very low169 Ų169133.9 Ų133.979%0.7974%0.735SS**SBendtrans-112.332.6-177.8-152.2-169.1165.300114.4
176F37.3Very low39.7Very low219 Ų219130.7 Ų130.796%0.96173%0.734SS**SBendtrans-151.565171.1-88.8-61.5000114.9
177A33.2Very low38.5Very low103 Ų103133.7 Ų133.785%0.85175%0.747SS**  trans-153.332.1169.200000114.9S179A177-S179 PolarHBondContact O-N 3.22Å
178G31.1Very low37.3Very low78 Ų78134.1 Ų134.180%0.80476%0.759SS**  trans-83.7103.3-176.700000114.5
179S33.4Very low36.3Very low122 Ų122132 Ų13285%0.85376%0.76SS**  trans178141137.239.20000113.4A177A177-S179 PolarHBondContact O-N 3.22Å
180S31.8Very low35.5Very low105 Ų105137.8 Ų137.873%0.73478%0.777SS**  trans-113.9153.2159.3175.40000107.6
181P42.7Very low34.4Very low121 Ų121136.3 Ų136.379%0.78678%0.776SS**  -136.3166.1123.837-26.9000114.2
182Q31.9Very low33.7Very low179 Ų179138.2 Ų138.284%0.83679%0.786SS**  trans-76.6150.3179.8-58.5148.1-76.300112.3
183S29.6Very low32.9Very low106 Ų106137.2 Ų137.274%0.74179%0.787SS**  159.8167.8105.566.90000114.9
184S33.2Very low31.9Very low101 Ų101136.2 Ų136.271%0.70678%0.781SS**  trans74.590.7145.5-540000122
185K29.3Very low31.2Very low201 Ų201133.9 Ų133.987%0.87478%0.775SS**  53.3140.1127.6-62.8-179.9178179.10122.5
186S27.1Very low30.7Very low108 Ų108130.5 Ų130.576%0.75577%0.77SS**  trans78.6155.5151.7-139.60000115.8
187T26.7Very low30.5Very low115 Ų115124.9 Ų124.971%0.70676%0.758SS**  cis-154.91478.9-28.60000112
188V26.9Very low30.3Very low123 Ų123128.6 Ų128.675%0.74576%0.758SS**  trans47.7107.8141.9170.70000121.4
189V27.3Very low30.4Very low125 Ų125131.9 Ų131.976%0.75876%0.755SS**  55.9148.2116.61700000122.1
190K30.7Very low30.2Very low194 Ų194133.9 Ų133.984%0.84375%0.751SS**  trans79.2146.3170.4-82.4170.5173.3-176.10116.1
191S29.6Very low30.2Very low86 Ų86136.3 Ų136.360%0.60176%0.756SS**  cis-177.4159.6-15.345.10000112.6
192L29.7Very low29.8Very low150 Ų150138.8 Ų138.879%0.78576%0.757SS**  trans54.5121150.6-88.182.8000118.1
193I30.4Very low29.8Very low137 Ų137137.7 Ų137.770%0.70376%0.757SS**  103.8160.463.8-97.3172.8000111.4
194D25.5Very low30.1Very low128 Ų128141.2 Ų141.268%0.68476%0.762SS**  trans77.5122.4-175.8-61-45.8000115.7
195N29.5Very low30.1Very low141 Ų141144.3 Ų144.375%0.75477%0.768SS**  75.7138.550.8-62.6-39.7000111.7
196S28.7Very low30.2Very low99 Ų99142.9 Ų142.969%0.69277%0.77SS**  cis-176.3-172.1-11.648.70000108.4
197S31.7Very low30.2Very low101 Ų101144.9 Ų144.971%0.70677%0.767SS**  trans73.1128.1-178.870.50000115.3
198E29Very low30.3Very low180 Ų180146 Ų14684%0.84177%0.768SS**  cis76.7117.647.9-68.5-176.4149.200114.2
199I33.7Very low30.4Very low147 Ų147145.7 Ų145.775%0.75477%0.772SS**  172.8130.8122-89.3161.7000111.4
200E30.3Very low30.7Very low165 Ų165145.4 Ų145.477%0.77178%0.776SS**  trans43.9125.7151.5-65.2158.4-16800123.8
201D30.6Very low30.9Very low156 Ų156144.7 Ų144.783%0.83478%0.775SS**  34.6128.9129.7-56.9-3.3000122.6
202E34.8Very low31.4Very low173 Ų173150.2 Ų150.281%0.80879%0.789SS**  -155.2143.1129-106.2-60.1176.500110
203D31.8Very low31.8Very low155 Ų155151.5 Ų151.583%0.82979%0.79SS**  trans-100.2110.5-170.9-126.1-20.4000110.3
204Q35.7Very low32Very low180 Ų180151.9 Ų151.984%0.84179%0.794SS**  trans-125.9114.6174.1-77.6-171.134.900114.3L206Q204-L206 PolarHBondContact O-N 2.98Å
205I33.2Very low32.4Very low166 Ų166151.9 Ų151.985%0.85180%0.798SS**  trans-64.3123.6175.8-60162.7000109.9
206L32.3Very low32.5Very low172 Ų172153.8 Ų153.890%0.90180%0.8SS**  trans-137120162-124.3168.9000110.9Q204Q204-L206 PolarHBondContact O-N 2.98Å
207E27.1Very low32.4Very low149 Ų149156.2 Ų156.270%0.69680%0.798SS**  trans-97.5146.8-168-154.5-163.4159.900111.3
208N27.2Very low32.2Very low138 Ų138156.9 Ų156.974%0.73880%0.801SS**  trans67127.8174-55.2-74.3000114.7
209S29Very low32.3Very low117 Ų117153.9 Ų153.982%0.81879%0.791SS**  cis-172.4158.927.356.10000111.9
210S34.9Very low32.2Very low120 Ų120152.3 Ų152.384%0.83979%0.793SS**  trans-165.6156.7130.7-163.70000110.9
211Q34.3Very low32.2Very low179 Ų179152.6 Ų152.684%0.83680%0.799SS**  trans-99.3155.5-179.5-69.7174.1-21.300111.4E213Q211-E213 PolarHBondContact O-N 3.38Å
212K39.6Very low32Very low202 Ų202154.8 Ų154.888%0.87880%0.801SS**  trans-73.6121.6170.5-66.9-176.8177.3-176.40109.8
213E38Very low31.6Very low176 Ų176155.3 Ų155.382%0.82280%0.804SS**  trans-111.3131157.7-71.8-159.3134.500110.3Q211 V215Q211-E213 PolarHBondContact O-N 3.38Å; E213-V215 PolarHBondContact O-N 3.26Å
214N35.5Very low31.4Very low145 Ų145157.1 Ų157.178%0.77581%0.807SS**  trans-8397.3177.8-70.5-21.5000109.8F216N214-F216 PolarHBondContact O-N 3.27Å
215V33.5Very low30.9Very low128 Ų128154 Ų15478%0.77680%0.804SS**  trans-80.297.3174.1-178.40000110.1E213 K217E213-V215 PolarHBondContact O-N 3.26Å; V215-K217 PolarHBondContact O-N 2.88Å
216F31Very low30.7Very low181 Ų181153.3 Ų153.379%0.79480%0.801SS**  trans-66.6110.4163.3-86.9-89.6000109.7N214 C218N214-F216 PolarHBondContact O-N 3.27Å; F216-C218 PolarHBondContact O-N 2.99Å
217K26.3Very low30.8Very low151 Ų151150.8 Ų150.866%0.65780%0.795SS**  trans-9481.2175-167.6173-172.8-720110.4V215 D219V215-K217 PolarHBondContact O-N 2.88Å; K217-D219 IonicContact NZ-OD1 2.65Å; K217-D219 PolarHBondContact NZ-OD1 3.48Å; K217-D219 IonicContact NZ-OD2 2.67Å; K217-D219 PolarHBondContact NZ-OD2 2.93Å; K217-D219 PolarHBondContact O-N 3.32Å
218C29.2Very low30.7Very low114 Ų114152.9 Ų152.977%0.7780%0.804SS**  trans-72.192.7165.9-64.70000109F216 S220F216-C218 PolarHBondContact O-N 2.99Å; C218-S220 PolarHBondContact O-N 3.37Å
219D29.3Very low30.8Very low117 Ų117154.9 Ų154.963%0.62681%0.809SS**PPolyproline II helixtrans-71.7118.3167.8-78.5-39.9000109.4K217 L221K217-D219 IonicContact NZ-OD1 2.65Å; K217-D219 PolarHBondContact NZ-OD1 3.48Å; K217-D219 IonicContact NZ-OD2 2.67Å; K217-D219 PolarHBondContact NZ-OD2 2.93Å; K217-D219 PolarHBondContact O-N 3.32Å; D219-L221 PolarHBondContact O-N 2.86Å
220S32.3Very low30.6Very low114 Ų114156.8 Ų156.880%0.79781%0.807SS**PPolyproline II helixtrans-63.4122.2-176.1-53.40000112C218 K222C218-S220 PolarHBondContact O-N 3.37Å; S220-K222 PolarHBondContact O-N 3.43Å
221L30Very low30.4Very low172 Ų172156.4 Ų156.490%0.90180%0.799SS**PPolyproline II helixtrans-61.2129.4161.3-70.9172.2000109D219D219-L221 PolarHBondContact O-N 2.86Å
222K28Very low30Very low201 Ų201157.7 Ų157.787%0.87480%0.796SS**  trans-89.4107.6164.9-71.3-173.8177.5-174.30107.5S220S220-K222 PolarHBondContact O-N 3.43Å
223E26.5Very low29.4Very low185 Ų185157.4 Ų157.486%0.86480%0.798SS**  trans-85.1115.5172-168.2162.8-149.200108.6C225E223-C225 PolarHBondContact O-N 2.9Å; E223-C225 VanDerWaalsContact O-N 3.09Å
224E26.9Very low29Very low193 Ų193153.7 Ų153.790%0.90279%0.792SS**  trans-79.187.9177.2-78.1-174128.700110.1
225C25.1Very low28.8Very low115 Ų115156.1 Ų156.178%0.77780%0.795SS**PPolyproline II helixtrans-77.8120.9171.1-168.20000110.4E223E223-C225 PolarHBondContact O-N 2.9Å; E223-C225 VanDerWaalsContact O-N 3.09Å
226I28.4Very low28.7Very low151 Ų151157.6 Ų157.677%0.77480%0.797SS**PPolyproline II helixtrans-72.8130.3176.4-60.8174.7000108.9
227P33.7Very low28.7Very low119 Ų119156 Ų15677%0.77379%0.794SS**PPolyproline II helixtrans-84122.7-176.7-623.9000112.4
228E26.6Very low28.7Very low192 Ų192156.5 Ų156.590%0.89780%0.799SS**PPolyproline II helixtrans-77.6139.1161.2-67.8-168148.400110.9
229H28.8Very low28.8Very low181 Ų181155.5 Ų155.584%0.83880%0.798SS**PPolyproline II helixtrans-100119.4-175.1179.3-84.7000111.4
230M25.5Very low28.8Very low157 Ų157157.5 Ų157.577%0.77380%0.804SS**  trans-70.3175.2175.3-69.6-170.172.300113.2
231V29.3Very low28.7Very low111 Ų111155.9 Ų155.967%0.67379%0.793SS**  trans76.8124.6163.5-174.90000113.4
232R27.1Very low29.1Very low207 Ų207154.3 Ų154.378%0.78178%0.781SS**  cis-172.3138.9-4.2155.1-165.3-58.3-158.61108.6
233E26.3Very low29.3Very low195 Ų195153.7 Ų153.791%0.91178%0.778SS**  trans-153.6176.4138.9-126.5162.6-152.600112.1
234S30.5Very low29.5Very low99 Ų99148.2 Ų148.269%0.69276%0.764SS**  trans-137.8150-152.1-50.40000115.3
235K31.1Very low29.6Very low196 Ų196144.5 Ų144.585%0.85276%0.755SS**  trans88.5154.4142.7-148.5-174.4-174.4-174.70117.8
236I31.6Very low30Very low158 Ų158148.7 Ų148.781%0.8176%0.755SS**  trans92.5152168.7-52.6179.1000114.5
237M29.1Very low29.9Very low147 Ų147148.5 Ų148.572%0.72475%0.75SS**  trans-120.7176.6-153.1-81.8166.541.200112.8
238E28.3Very low29.5Very low163 Ų163147.7 Ų147.776%0.76275%0.747SS**  trans72.5122.5162.8-75.6156.2-156.100114.8
239A30.9Very low29.5Very low92 Ų92145.9 Ų145.976%0.7674%0.738SS**  79.1148.362.300000111.6
240E28.7Very low29.6Very low160 Ų160145.1 Ų145.175%0.74873%0.732SS**  cis-155158.38.3-156-154.3103.200110
241S30.8Very low29.8Very low80 Ų80143.9 Ų143.956%0.55974%0.739SS**  trans62.1174.1152.3-85.20000117.7
242Q36.9Very low29.8Very low139 Ų139142.9 Ų142.965%0.6574%0.743SS**  cis-160.2149.2-38.1-113.6179.173.900108.4
243K32.8Very low29.9Very low188 Ų188141.4 Ų141.482%0.81775%0.749SS**  trans62.2169.1154.6-72.6-176.4174.4174.80117.9
244A30.7Very low30.1Very low70 Ų70138.4 Ų138.458%0.57975%0.745SS**  cis-168.5161-36.800000111.6
245T29.9Very low30.5Very low115 Ų115139.8 Ų139.871%0.70675%0.751SS**  trans61.9136144.143.60000122.7
246R31.9Very low30.3Very low203 Ų203134 Ų13477%0.76675%0.748SS**  trans74.5155.5142.8-69.6165.4-178.1-111.75.8116.3
247E26.6Very low30.2Very low146 Ų146135.9 Ų135.968%0.68275%0.75SS**  cis-146.4178.63.8-147.3123.5-127.100113.9
248C26.1Very low30.5Very low103 Ų103133.8 Ų133.870%0.69675%0.75SS**  trans-49.8168158.3-139.10000111.6
249E26.9Very low30.6Very low153 Ų153132.8 Ų132.872%0.71575%0.75SS**  cis-162.7-171.237.6-170.7146.6-152.500113.4
250K31.4Very low30.6Very low165 Ų165136 Ų13672%0.71775%0.754SS**  trans-78.9155.3-167.7-46.1131.7-173.6147.30114.4
251S29.4Very low30.6Very low132 Ų132132.6 Ų132.692%0.92375%0.753SS**  trans-158.4167.2139.3-85.10000109.9
252A28Very low30.6Very low90 Ų90136 Ų13674%0.74476%0.763SS**  trans-120.9-177.2-162.600000114.3
253L31Very low30.4Very low175 Ų175137.5 Ų137.592%0.91677%0.772SS**  trans100.3133.1170.6-53.5178.8000117.2
254T28.7Very low30Very low133 Ų133134.6 Ų134.682%0.81677%0.765SS**  trans-92.5177.9-179.448.80000111.5
255P39.8Very low29.8Very low127 Ų127140.1 Ų140.183%0.82578%0.777SS**  cis-129.4166.43.140.1-24.4000115.8
256G26.6Very low30Very low76 Ų76139.7 Ų139.778%0.78478%0.778SS**  trans-167.6121.5172.100000113
257F29.4Very low30.5Very low197 Ų197136.4 Ų136.486%0.86478%0.783SS**  trans-58152.8-169.3-73.8-97.5000118.1
258S35.3Very low30.6Very low102 Ų102135.9 Ų135.971%0.71379%0.785SS**  trans68.3146.8143.370.80000119.5
259D31.7Very low30.7Very low143 Ų143138.8 Ų138.877%0.76579%0.786SS**  cis-163.4174.6-21.3-116.5-50.2000111.7
260N31.2Very low30.9Very low159 Ų159137.2 Ų137.285%0.8579%0.787SS**  trans93.698.5168-53.6-73.2000118.2
261A28.6Very low30.6Very low88 Ų88137 Ų13773%0.72779%0.793SS**  trans-158.8118139.100000113.4
262I29.9Very low30.4Very low151 Ų151140.5 Ų140.577%0.77479%0.786SS**  trans67120135.9-61.5171.7000120.2
263M31.9Very low30.4Very low171 Ų171142.3 Ų142.384%0.84278%0.783SS**  trans64.1146.8157.5-77.7-174.5171.800117.8
264L25.5Very low30.3Very low128 Ų128138.8 Ų138.867%0.6777%0.769SS**  -165.6156.374.6-89171.4000114.8
265F26Very low30.3Very low186 Ų186140 Ų14082%0.81677%0.77SS**  trans62155.6152.7-63.4-48.2000123.2
266S35Very low29.7Very low106 Ų106143.1 Ų143.174%0.74177%0.77SS**  trans-62.5178.1170.3-37.20000113
267P41.8Very low29.9Very low133 Ų133144.6 Ų144.686%0.86477%0.769SS**  -140.1-175.296.740.1-28.2000114.4
268D28.5Very low29.8Very low135 Ų135141.6 Ų141.672%0.72277%0.767SS**  trans-126.8176.3-174.5-165.62000110.1
269F29.3Very low29.4Very low164 Ų164141.4 Ų141.472%0.71977%0.766SS**  trans68.8107.8170.5-81.3-95000120.8
270T30.1Very low29.4Very low121 Ų121142.6 Ų142.674%0.74277%0.766SS**  trans30.4128.213165.10000121.9
271L25.8Very low29.2Very low160 Ų160142.4 Ų142.484%0.83877%0.765SS**  -161.1109.9124.7-163.959.7000115.4
272R23.9Very low29.4Very low206 Ų206142 Ų14278%0.77776%0.758SS**  trans24.5126.5135.6178-174.5-85-143.6-2.7121.2
273N29.3Very low29.6Very low127 Ų127142 Ų14268%0.67976%0.758SS**  trans104.4124137.2-85.66.8000125
274T27.6Very low29.6Very low102 Ų102140 Ų14063%0.62676%0.755SS**  trans77.7103.4130.357.70000124.9
275L29.2Very low29.9Very low158 Ų158144.1 Ų144.183%0.82777%0.768SS**  78.1148.9114.9-67.2172.4000122.6
276K28.1Very low30Very low192 Ų192143.5 Ų143.584%0.83577%0.767SS**  trans76.4128.5171.2-58.1-177.1-179.4179.60116.4
277S29.8Very low29.7Very low107 Ų107147.8 Ų147.875%0.74878%0.776SS**  cis111.5106.55.378.70000116.2
278T26.5Very low29Very low135 Ų135146.1 Ų146.183%0.82877%0.766SS**  trans-153130.5157.937.40000106.7
279S28.3Very low29.3Very low98 Ų98146.6 Ų146.669%0.68577%0.767SS**  56.2133.898.9-93.90000114.6
280E30.7Very low29.2Very low167 Ų167149 Ų14978%0.7878%0.777SS**  cis-161.6155.213.4-146.8148.8-9700113.1
281D28.1Very low29Very low155 Ų155150.9 Ų150.983%0.82978%0.778SS**  trans51.1159.5154.6-113.6-6.3000121.6
282S32.1Very low29Very low81 Ų81150 Ų15057%0.56678%0.779SS**  cis-155.4170.7559.80000113.8
283L33.3Very low29.3Very low150 Ų150145.1 Ų145.179%0.78577%0.772SS**  trans5797.9159.3-67164.5000117.7
284V32.1Very low29.3Very low128 Ų128146.5 Ų146.578%0.77677%0.774SS**  66.6108.461.5-174.20000115.3
285K31.7Very low29.4Very low215 Ų215150.6 Ų150.694%0.93578%0.783SS**  trans-149.8134.6130.7-117.5178.9-176.6-176.60110.6
286Q29.4Very low29.4Very low174 Ų174154 Ų15481%0.81379%0.785SS**  trans-131.8140.7-177.8174-172.15.100107.7
287E27.2Very low29.3Very low195 Ų195153.6 Ų153.691%0.91179%0.786SS**  trans-146.1145.4160.3-156.2158.2-135.400110.4
288C27.4Very low29.3Very low99 Ų99152.9 Ų152.967%0.66979%0.787SS**  trans-156.7149.1-174.9-164.40000104.3
289I34.2Very low29.3Very low145 Ų145152.2 Ų152.274%0.74479%0.786SS**  -177.2145.567.1-69.1154000105.5
290K28.2Very low29.1Very low213 Ų213155.9 Ų155.993%0.92679%0.792SS**  -176.6151.4128.1-101.4168.1-174.6179.10114.4
291E24.9Very low29Very low162 Ų162152 Ų15276%0.75778%0.782SS**  trans-133.3139.7-164.2171.9-172.2-177.300108.9
292V27.8Very low29Very low142 Ų142152.9 Ų152.986%0.86178%0.781SS**  trans-142.684.3166.7-1740000110.4
293V30Very low28.7Very low103 Ų103155.6 Ų155.662%0.62479%0.785SS**  trans24.3130.2132.7-173.90000120.1
294E28.6Very low28.4Very low156 Ų156154.8 Ų154.873%0.72979%0.786SS**  trans68.2136.7161.3-80.3-170.4176.600119.2
295K29.7Very low28.3Very low188 Ų188156.3 Ų156.382%0.81778%0.782SS**  cis-141.6176.635.7-127.1154.7-162.1173.60115.1
296R28.6Very low28.1Very low228 Ų228153.4 Ų153.486%0.8677%0.774SS**  trans-90.2150.2-172.3-57174177.4-176.9-2.7113.9
297E27.5Very low28Very low185 Ų185150.4 Ų150.486%0.86477%0.768SS**  179.5115.1120-93.9160.317100107.5
298A28.1Very low28.1Very low92 Ų92147.6 Ų147.676%0.7676%0.763SS**  67.1120.179.400000113.1
299C26.3Very low28.1Very low120 Ų120146.9 Ų146.981%0.81177%0.765SS**  cis-149.8154.4-5.9-730000106.5
300H25.1Very low28.2Very low176 Ų176145.1 Ų145.182%0.81577%0.765SS**  cis63.1127.644-154.574000113.8
301C28.1Very low28.3Very low84 Ų84144 Ų14457%0.56876%0.763SS**  cis-161.7166-23.1-1260000109.3
302E28.2Very low28.5Very low174 Ų174140.1 Ų140.181%0.81376%0.759SS**  48.3148.2126.8-145153-160.100123.8
303E26.6Very low28.6Very low138 Ų138142.8 Ų142.865%0.64576%0.759SS**  trans-36.3152.4173.6-154.7-165.5135.300117.9K305E303-K305 IonicContact OE1-NZ 3.57Å
304V26.9Very low28.6Very low134 Ų134144.9 Ų144.981%0.81277%0.765SS**  -179.8140.7119.1150.10000115
305K29.2Very low28.6Very low159 Ų159144.6 Ų144.669%0.69176%0.764SS**  trans-37.6148.8174.6-79.8157.7-177.2140.70123.1E303E303-K305 IonicContact OE1-NZ 3.57Å
306M27.4Very low28.6Very low154 Ų154142.4 Ų142.476%0.75976%0.761SS**  93.4125.8129.2-73.3-86.3-7600124.2
307T27.1Very low28.8Very low112 Ų112135.3 Ų135.369%0.68775%0.746SS**  trans62.8136.1145.956.20000119.8
308V29.4Very low29Very low135 Ų135133.3 Ų133.382%0.81874%0.741SS**  -165.5140.865.2160.30000112.7
309A27.8Very low29.4Very low85 Ų85133.8 Ų133.870%0.70274%0.739SS**  trans16.9148.9153.300000127.1
310S35.8Very low29.8Very low107 Ų107135.2 Ų135.275%0.74873%0.734SS**  trans102.9124.2136.5-66.70000122.9
311E31Very low30.2Very low190 Ų190131 Ų13189%0.88873%0.729SS**  trans63.7144.7146.9-65.8-164.8126.200121.4
312A30.1Very low30.4Very low81 Ų81133.8 Ų133.867%0.66973%0.731SS**  cis-168.4167.9-15.400000112.8
313K30.1Very low30.4Very low198 Ų198130.3 Ų130.386%0.86173%0.726SS**  trans86.1146144.9-132.3169.9-170.9170.80120.7
314I29.6Very low30.9Very low146 Ų146130.8 Ų130.875%0.74973%0.728SS**  trans88.6129.2170.7-63.7170.7000114.8
315Q28Very low31.3Very low150 Ų150129.7 Ų129.770%0.70173%0.727SS**  cis-147.7150.3-13.3-110.7177.8-63.900109
316L29.3Very low31.6Very low143 Ų143127.2 Ų127.275%0.74973%0.729SS**  45.5134.489.3-53-178.8000115.5
317S33.3Very low31.9Very low79 Ų79123.7 Ų123.755%0.55273%0.725SS**  cis-168.7150.10.6-118.40000113.8
318D32.6Very low32.2Very low142 Ų142125.8 Ų125.876%0.75973%0.732SS**  trans57.2163.3141.3-46.2-41.6000120.7
319S36.1Very low32.4Very low103 Ų103126.7 Ų126.772%0.7273%0.732SS**  cis-153.1144.112.9-32.60000114.2
320E34.5Very low32.5Very low150 Ų150126.5 Ų126.570%0.70173%0.73SS**  trans55.3158.2138.9-61.7-134.274.700121.7K322E320-K322 VanDerWaalsContact CD-NZ 3.34Å; E320-K322 WeakPolarHBondContact OE1-CD 3.44Å; E320-K322 WeakPolarHBondContact OE1-CE 3.22Å; E320-K322 IonicContact OE1-NZ 2.65Å; E320-K322 PolarHBondContact OE1-NZ 3.48Å; E320-K322 IonicContact OE2-NZ 3.22Å; E320-K322 PolarHBondContact OE2-NZ 2.77Å
321A32.1Very low32.7Very low86 Ų86126.4 Ų126.471%0.71173%0.73SS**  cis-148.5166.321.900000116.8
322K32.9Very low32.7Very low143 Ų143121.6 Ų121.662%0.62272%0.723SS**  trans-17.3151.6163-68.6104.7177.41740118.4E320E320-K322 VanDerWaalsContact CD-NZ 3.34Å; E320-K322 WeakPolarHBondContact OE1-CD 3.44Å; E320-K322 WeakPolarHBondContact OE1-CE 3.22Å; E320-K322 IonicContact OE1-NZ 2.65Å; E320-K322 PolarHBondContact OE1-NZ 3.48Å; E320-K322 IonicContact OE2-NZ 3.22Å; E320-K322 PolarHBondContact OE2-NZ 2.77Å
323S27.8Very low32.4Very low101 Ų101128.5 Ų128.571%0.70673%0.731SS**  -160.8143.361.1174.80000117.4
324H38.1Very low32.4Very low149 Ų149123.4 Ų123.469%0.6972%0.721SS**  trans-7.9154.8144.8-31.5-70.6000118.4
325S35.2Very low32.4Very low111 Ų111122.7 Ų122.778%0.77672%0.718SS**  cis-172.616926.1450000110.4
326S36.2Very low32.7Very low106 Ų106121.4 Ų121.474%0.74172%0.715SS**  cis178.9159.2-16.553.60000110.4
327A32.2Very low32.7Very low81 Ų81121.7 Ų121.767%0.66971%0.713SS**  trans70.5128.8167.800000117.4
328D34.6Very low32.5Very low155 Ų155125.5 Ų125.583%0.82972%0.722SS**  78.7136.653.9-52.4-34.7000112
329D32.6Very low32.5Very low155 Ų155122.9 Ų122.983%0.82972%0.72SS**  cis-153.4-178.47.5-155.2-5000112.7
330A31Very low32.6Very low80 Ų80124.1 Ų124.166%0.66173%0.725SS**  trans-12.6161.6164.500000120.8
331S39.1Very low32.6Very low106 Ų106124.9 Ų124.974%0.74173%0.733SS**  cis-172.516934.857.40000114.1
332A31.4Very low32.6Very low89 Ų89128.5 Ų128.574%0.73674%0.736SS**  trans66.9159.2143.400000121.4
333W23.8Very low32.5Very low225 Ų225128 Ų12885%0.85274%0.739SS**  cis-165.7102.8-33.7-173.2-65.6000110.1
334S30.2Very low32.6Very low92 Ų92130.5 Ų130.564%0.64375%0.745SS**  trans53.3160.8151.3-43.30000124.3
335N28.6Very low32.5Very low130 Ų130128 Ų12870%0.69574%0.744SS**  trans102106.9139.2-75.6-7.9000123.3
336I34.5Very low32.2Very low124 Ų124128.2 Ų128.264%0.63674%0.744SS**  86.5130.2114.8-72.4171.2000121.2
337Q30.1Very low32.1Very low149 Ų149130.4 Ų130.470%0.69675%0.747SS**  trans65.6154.8155.9-88170.5-51.100119.3
338E28Very low32.2Very low159 Ų159133.2 Ų133.274%0.74375%0.751SS**  cis-153.2177.5-13.4-155.1146.1-131.100109.7
339A33.6Very low32.2Very low87 Ų87132.7 Ų132.772%0.71975%0.748SS**  trans-11515216700000111
340P37.6Very low32.2Very low128 Ų128132.7 Ų132.783%0.83175%0.748SS**  trans-123.5161.9150.328.9-13.3000112.7
341L35.7Very low32.6Very low166 Ų166136 Ų13687%0.86975%0.753SS**  trans-109.9161.8-177.9-70.2164.4000111.9
342Q32.3Very low32.6Very low163 Ų163136 Ų13676%0.76275%0.751SS**  117.8131.1127-162.8151.8-0.100119.2
343D30.7Very low32.9Very low131 Ų131140.8 Ų140.870%0.70176%0.757SS**  trans47.4128.1158.9-68.1-34.7000121.9
344D29.9Very low33.3Very low155 Ų155135.1 Ų135.183%0.82975%0.752SS**  -155.2-177.3102.5-140.5-39.5000111.8
345S35.6Very low33.8Very low95 Ų95138 Ų13866%0.66476%0.759SS**  trans-101.6143.8-14143.90000119.3
346C28Very low34.1Very low116 Ų116137.7 Ų137.778%0.78476%0.764SS**  trans26.6129143.5-530000122.3
347L33.9Very low34.2Very low153 Ų153138.6 Ų138.680%0.80177%0.769SS**  172.8157.499.2-94179.2000115.6
348N35.5Very low34.9Very low139 Ų139140.4 Ų140.474%0.74378%0.777SS**  trans83138.8157.4-61-32.6000121.5
349N35.2Very low35.4Very low144 Ų144141 Ų14177%0.7778%0.78SS**  trans-68152-176.2-39.2-53.6000113.7
350D31.6Very low35.2Very low155 Ų155140.7 Ų140.783%0.82979%0.786SS**  -172.5153.8101.3-92.3-21.5000111.6
351I40.4Very low35.5Very low150 Ų150140.8 Ų140.877%0.76979%0.79SS**  trans-104.1128.9176.7-63.1172.6000109.6
352P38.2Very low35.6Very low106 Ų106137.9 Ų137.969%0.68878%0.783SS**  trans-130.5131.7134.49.312000112.3S354P352-S354 PolarHBondContact O-N 2.73Å
353H38.1Very low35.7Very low189 Ų189135.2 Ų135.288%0.87578%0.781SS**  trans-56.5125.6165.5-71.2-91000110.2
354S31.1Very low35.9Very low106 Ų106136.8 Ų136.874%0.74179%0.789SS**  trans-120.7115.6176.8-640000110.4P352P352-S354 PolarHBondContact O-N 2.73Å
355I40.6Very low35.8Very low153 Ų153132.3 Ų132.379%0.78578%0.78SS**  trans-74.4136.5170.3-63161.5000108L357I355-L357 PolarHBondContact O-N 2.92Å
356P35.1Very low36.3Very low124 Ų124134.8 Ų134.881%0.80579%0.794SS**  trans-64.7105.3172.8-21.533.8000111.5
357L36.4Very low36.8Very low143 Ų143132.2 Ų132.275%0.74979%0.787SS**  trans-102.483.9171-176.967.7000109.4I355I355-L357 PolarHBondContact O-N 2.92Å
358E45.1Very low37.1Very low186 Ų186134.3 Ų134.387%0.86979%0.793SS**  trans-73.4125.4169.1-84.7-61.9139.700110.5
359Q39.3Very low37.5Very low171 Ų171132.6 Ų132.680%0.79979%0.787SS**  trans-150.3106.9179.7-173.4165.312.100112.3
360G29.8Very low38.4Very low81 Ų81130 Ų13084%0.83578%0.777SS**  trans151.555.2164.400000118.9
361S42.6Very low40.5Very low131 Ų131126.2 Ų126.292%0.91678%0.775SS**  trans-143.6139.3152.9-166.80000110.8
362S38.9Very low42.6Very low105 Ų105122.3 Ų122.373%0.73475%0.753SS**  trans-129.1126.1-167.5-178.60000111.3
363C34.8Very low45.2Very low106 Ų106118.8 Ų118.872%0.71673%0.73SS**  170.2128.5128.1-93.20000112.3
364N33.1Very low47.9Very low164 Ų164117 Ų11788%0.87772%0.717SS**  trans64.6107.9154-55.7-31.2000119.9
365G29Very low50.9Low62 Ų62112.1 Ų112.164%0.63968%0.682SS**  trans161.384.4163.900000114G367G365-G367 PolarHBondContact O-N 3.18Å
366P46.5Very low53.6Low147 Ų147104.8 Ų104.896%0.95565%0.645SS**THydrogen-bonded Turntrans-77.882.2-178.432.8-34.6000110.9
367G38.1Very low56.5Low61 Ų61104.2 Ų104.263%0.62963%0.627SS**THydrogen-bonded Turntrans164.916.8-179.100000119G365 T369G365-G367 PolarHBondContact O-N 3.18Å; G367-T369 PolarHBondContact O-N 3.46Å
368Q40.7Very low59.4Low198 Ų198100.7 Ų100.793%0.92561%0.614SS**  trans-70.879.3160.3-75.1-164.315.800109.3T370Q368-T370 PolarHBondContact O-N 3.23Å
369T43.3Very low61.9Low102 Ų10293.3 Ų93.363%0.62658%0.579SS**  trans-62.3124163.752.10000107.9G367 G371G367-T369 PolarHBondContact O-N 3.46Å; T369-G371 PolarHBondContact O-N 3.25Å
370T54.6Low64.6Low89 Ų8987 Ų8755%0.54655%0.551SS.*  trans-47.6132.3169.846.80000109.7Q368 H372Q368-T370 PolarHBondContact O-N 3.23Å; T370-H372 PolarHBondContact O-N 3.32Å
371G75.3Confident67.8Low77 Ų7787.2 Ų87.279%0.79454%0.535SS*.SBendtrans-68.119.5-164.900000116.7T369T369-G371 PolarHBondContact O-N 3.25Å
372H84.3Confident70.4Confident67 Ų6785.4 Ų85.431%0.3152%0.518SS..SBendtrans-90.7137.3178-56.6-76.7000110.6T370 L376T370-H372 PolarHBondContact O-N 3.32Å; H372-L376 HydrophobicContact CB-CB 4.43Å; H372-L376 HydrophobicContact CB-CD2 4.05Å; H372-L376 HydrophobicContact CB-CG 4.25Å
373P92.1Very high73.2Confident33 Ų3381.9 Ų81.921%0.21449%0.491CS..  trans-53.5150.9170.2-27.435.9000112.6Y375 L376 R377 K416P373-Y375 HydrophobicContact CB-CD1 3.7Å; P373-Y375 HydrophobicContact CB-CE1 3.33Å; P373-Y375 HydrophobicContact CB-CE2 4.21Å; P373-Y375 HydrophobicContact CB-CG 4.31Å; P373-Y375 HydrophobicContact CG-CE1 4.03Å; P373-Y375 PolarHBondContact O-N 3Å; P373-L376 PolarHBondContact O-N 3.12Å; P373-R377 PolarHBondContact O-N 3.17Å; P373-K416 HydrophobicContact CG-CD 4.33Å; P373-K416 HydrophobicContact CG-CG 4.34Å
374Y94.4Very high76.1Confident150 Ų15082.2 Ų82.259%0.58848%0.481SS*.Hα-helixtrans-52.5-37.6-174.777-86.1000113.1R377 S378Y374-R377 PolarHBondContact O-N 2.92Å; Y374-S378 PolarHBondContact O-N 3.21Å; Y374-S378 PolarHBondContact O-OG 2.98Å
375Y94.9Very high79.1Confident4 Ų478.6 Ų78.62%0.01646%0.464CS..Hα-helixtrans-64.7-40.7-178.858.4-103.3000112.6P373 F379 K416 V419 R420 E438P373-Y375 HydrophobicContact CB-CD1 3.7Å; P373-Y375 HydrophobicContact CB-CE1 3.33Å; P373-Y375 HydrophobicContact CB-CE2 4.21Å; P373-Y375 HydrophobicContact CB-CG 4.31Å; P373-Y375 HydrophobicContact CG-CE1 4.03Å; P373-Y375 PolarHBondContact O-N 3Å; Y375-F379 PolarHBondContact O-N 2.88Å; Y375-F379 VanDerWaalsContact O-N 3.13Å; Y375-K416 HydrophobicContact CE2-CB 4.33Å; Y375-V419 HydrophobicContact CD2-CB 4.35Å; Y375-V419 HydrophobicContact CD2-CG1 3.94Å; Y375-R420 HydrophobicContact CD2-CG 4.46Å; Y375-R420 HydrophobicContact CE1-CG 4.4Å; Y375-R420 VanDerWaalsContact CE1-CZ 3.42Å; Y375-R420 VanDerWaalsContact CE1-NE 3.28Å; Y375-R420 HydrophobicContact CE2-CG 3.78Å; Y375-E438 PolarHBondContact OH-OE1 2.78Å
376L96.5Very high82.4Confident0 Ų078.1 Ų78.10%045%0.449CS..Hα-helixtrans-72.5-41.1176.3175.957.3000110.2H372 P373 S378 F379 L380 F407 Q415 K416 V419H372-L376 HydrophobicContact CB-CB 4.43Å; H372-L376 HydrophobicContact CB-CD2 4.05Å; H372-L376 HydrophobicContact CB-CG 4.25Å; P373-L376 PolarHBondContact O-N 3.12Å; L376-S378 VanDerWaalsContact C-N 3.34Å; L376-S378 PolarHBondContact O-N 2.88Å; L376-F379 PolarHBondContact O-N 3.15Å; L376-L380 HydrophobicContact CD1-CD1 4.01Å; L376-L380 HydrophobicContact CD1-CG 3.99Å; L376-L380 HydrophobicContact CG-CD1 3.92Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CB 3.47Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.48Å; L376-F407 HydrophobicContact CD1-CZ 4.16Å; L376-Q415 HydrophobicContact CD1-CB 3.99Å; L376-Q415 HydrophobicContact CD2-CB 4.18Å; L376-K416 HydrophobicContact CD2-CG 3.9Å; L376-V419 HydrophobicContact CD1-CG2 3.92Å
377R96.3Very high84.7Confident112 Ų11274.3 Ų74.342%0.42342%0.42SS..Hα-helixtrans-58.9-43.5174.8-171.3176.468.8-1662.9112.2P373 Y374 V381P373-R377 PolarHBondContact O-N 3.17Å; Y374-R377 PolarHBondContact O-N 2.92Å; R377-V381 WeakPolarHBondContact O-CG2 3.2Å; R377-V381 PolarHBondContact O-N 3.41Å; R377-V381 VanDerWaalsContact O-N 3.07Å
378S96.9Very high87.4Confident69 Ų6976.9 Ų76.948%0.48342%0.416SS..Hα-helixtrans-63.7-41.9174.9-70.20000112.5Y374 L376 V381 V382Y374-S378 PolarHBondContact O-N 3.21Å; Y374-S378 PolarHBondContact O-OG 2.98Å; L376-S378 VanDerWaalsContact C-N 3.34Å; L376-S378 PolarHBondContact O-N 2.88Å; S378-V381 PolarHBondContact O-N 3.2Å; S378-V382 WeakPolarHBondContact O-CG2 3.47Å; S378-V382 PolarHBondContact O-N 3.48Å; S378-V382 VanDerWaalsContact O-N 3.08Å
379F97.6Very high90Very high31 Ų3170.1 Ų70.114%0.13639%0.386CS..Hα-helixtrans-64.5-43.6177.2-172.1-99.7000112.3Y375 L376 V381 V382 L383 F407 Y418 V419 F422Y375-F379 PolarHBondContact O-N 2.88Å; Y375-F379 VanDerWaalsContact O-N 3.13Å; L376-F379 PolarHBondContact O-N 3.15Å; F379-V381 VanDerWaalsContact C-N 3.33Å; F379-V381 PolarHBondContact O-N 3.26Å; F379-V382 PolarHBondContact O-N 3.39Å; F379-L383 HydrophobicContact CD1-CD1 3.97Å; F379-L383 HydrophobicContact CD1-CG 4.28Å; F379-L383 HydrophobicContact CE1-CD1 3.57Å; F379-L383 HydrophobicContact CE1-CG 4Å; F379-L383 HydrophobicContact CZ-CD1 4.34Å; F379-L383 HydrophobicContact CZ-CG 4.42Å; F379-L383 PolarHBondContact O-N 3.49Å; F379-F407 AromaticContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE2 4.45Å; F379-F407 AromaticContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CE1-CD1 4.29Å; F379-F407 HydrophobicContact CE1-CD2 4.44Å; F379-F407 AromaticContact CE1-CE1 3.76Å; F379-F407 HydrophobicContact CE1-CE1 3.76Å; F379-F407 AromaticContact CE1-CE2 3.94Å; F379-F407 HydrophobicContact CE1-CE2 3.94Å; F379-F407 AromaticContact CE1-CZ 3.57Å; F379-F407 HydrophobicContact CE1-CZ 3.57Å; F379-Y418 HydrophobicContact CZ-CE1 4.1Å; F379-V419 HydrophobicContact CB-CG1 3.86Å; F379-V419 HydrophobicContact CB-CG2 3.95Å; F379-V419 HydrophobicContact CD1-CG2 3.42Å; F379-V419 VanDerWaalsContact CD1-CG2 3.42Å; F379-V419 HydrophobicContact CD2-CG1 4.37Å; F379-V419 HydrophobicContact CD2-CG2 4.19Å; F379-V419 HydrophobicContact CE1-CG2 3.87Å; F379-V419 HydrophobicContact CG-CG1 4.11Å; F379-V419 HydrophobicContact CG-CG2 3.59Å; F379-V419 HydrophobicContact CZ-CG2 4.43Å; F379-F422 AromaticContact CE2-CD1 3.98Å; F379-F422 HydrophobicContact CE2-CD1 3.98Å; F379-F422 AromaticContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CZ 4.37Å
380L96.6Very high92.4Very high38 Ų3872.3 Ų72.320%0.19939%0.39CS..Hα-helixtrans-63.3-35.5176.1-71.1168.6000112.7L376 K384 F407 Y408L376-L380 HydrophobicContact CD1-CD1 4.01Å; L376-L380 HydrophobicContact CD1-CG 3.99Å; L376-L380 HydrophobicContact CG-CD1 3.92Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CB 3.47Å; L376-L380 WeakPolarHBondContact O-CG 3.45Å; L376-L380 PolarHBondContact O-N 3.48Å; L380-K384 WeakPolarHBondContact O-CB 3.21Å; L380-K384 PolarHBondContact O-N 3.43Å; L380-F407 HydrophobicContact CD2-CE1 3.99Å; L380-Y408 HydrophobicContact CD2-CD1 4.48Å; L380-Y408 HydrophobicContact CD2-CE1 3.78Å
381V97.3Very high94.4Very high85 Ų8573.9 Ų73.952%0.51539%0.394SS..Hα-helixtrans-66.2-43.4172.6168.80000111.3R377 S378 F379 K384 T385R377-V381 WeakPolarHBondContact O-CG2 3.2Å; R377-V381 PolarHBondContact O-N 3.41Å; R377-V381 VanDerWaalsContact O-N 3.07Å; S378-V381 PolarHBondContact O-N 3.2Å; F379-V381 VanDerWaalsContact C-N 3.33Å; F379-V381 PolarHBondContact O-N 3.26Å; V381-K384 PolarHBondContact O-N 3.2Å; V381-T385 PolarHBondContact O-N 2.86Å; V381-T385 PolarHBondContact O-OG1 3.38Å
382V97.4Very high95.4Very high93 Ų9373.1 Ų73.156%0.56437%0.372SS*.Hα-helixtrans-61.8-48.6176.7171.10000111.3S378 F379 K384 T385 V386S378-V382 WeakPolarHBondContact O-CG2 3.47Å; S378-V382 PolarHBondContact O-N 3.48Å; S378-V382 VanDerWaalsContact O-N 3.08Å; F379-V382 PolarHBondContact O-N 3.39Å; V382-K384 PolarHBondContact O-N 2.81Å; V382-T385 PolarHBondContact O-N 2.88Å; V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 2.75Å
383L97.1Very high95.9Very high31 Ų3171.6 Ų71.616%0.16237%0.365CS..Hα-helixtrans-57-50.8174.7-73.2-177.4000110.9F379 T385 V386 L387 V404 F407 Y408F379-L383 HydrophobicContact CD1-CD1 3.97Å; F379-L383 HydrophobicContact CD1-CG 4.28Å; F379-L383 HydrophobicContact CE1-CD1 3.57Å; F379-L383 HydrophobicContact CE1-CG 4Å; F379-L383 HydrophobicContact CZ-CD1 4.34Å; F379-L383 HydrophobicContact CZ-CG 4.42Å; F379-L383 PolarHBondContact O-N 3.49Å; L383-T385 PolarHBondContact O-N 3.24Å; L383-V386 PolarHBondContact O-N 3.21Å; L383-L387 HydrophobicContact CB-CD1 4.3Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 WeakPolarHBondContact O-CD1 3.36Å; L383-L387 WeakPolarHBondContact O-CG 3.46Å; L383-L387 PolarHBondContact O-N 3.28Å; L383-V404 HydrophobicContact CD1-CG1 4.5Å; L383-V404 HydrophobicContact CD2-CG1 4.32Å; L383-F407 HydrophobicContact CD1-CD1 3.63Å; L383-F407 HydrophobicContact CD1-CE1 3.7Å; L383-Y408 WeakPolarHBondContact CB-OH 3.19Å; L383-Y408 HydrophobicContact CD1-CE2 4.47Å
384K95.9Very high96.1Very high113 Ų11376.6 Ų76.649%0.49139%0.39SS..Hα-helixtrans-55-51.2-179.5178.1174.2172.5174.70112L380 V381 V382 V386 L387 E388L380-K384 WeakPolarHBondContact O-CB 3.21Å; L380-K384 PolarHBondContact O-N 3.43Å; V381-K384 PolarHBondContact O-N 3.2Å; V382-K384 PolarHBondContact O-N 2.81Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.26Å; K384-L387 PolarHBondContact O-N 3.31Å; K384-E388 WeakPolarHBondContact CE-OE1 3.49Å; K384-E388 WeakPolarHBondContact CE-OE2 3.36Å; K384-E388 HydrophobicContact CG-CG 4.2Å; K384-E388 IonicContact NZ-OE1 3.23Å; K384-E388 PolarHBondContact NZ-OE1 3.24Å; K384-E388 WeakPolarHBondContact O-CB 3.43Å; K384-E388 VanDerWaalsContact O-CG 3.32Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 3.31Å
385T97.1Very high96.3Very high88 Ų8875.7 Ų75.754%0.5440%0.395SS..Hα-helixtrans-65.1-28.5-177.2-62.80000113.5V381 V382 L383V381-T385 PolarHBondContact O-N 2.86Å; V381-T385 PolarHBondContact O-OG1 3.38Å; V382-T385 PolarHBondContact O-N 2.88Å; L383-T385 PolarHBondContact O-N 3.24Å
386V96.6Very high96.4Very high53 Ų5379.5 Ų79.532%0.32141%0.411SS..Hα-helixtrans-81.3-38175.1177.60000111.4V382 L383 K384 E388 N389 D392 M393 F396V382-V386 WeakPolarHBondContact O-CG2 3.32Å; V382-V386 PolarHBondContact O-N 2.75Å; L383-V386 PolarHBondContact O-N 3.21Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.26Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-E388 PolarHBondContact O-N 3.41Å; V386-N389 PolarHBondContact O-N 3.26Å; V386-D392 HydrophobicContact CG1-CB 4.33Å; V386-M393 HydrophobicContact CG1-CE 3.82Å; V386-F396 HydrophobicContact CG1-CE2 4.4Å
387L94.8Very high96.4Very high66 Ų6683.5 Ų83.535%0.34643%0.433SS..Hα-helixtrans-69.6-26.6175.6-67.1168.1000113.2L383 K384 N389 M393 V404 Y408L383-L387 HydrophobicContact CB-CD1 4.3Å; L383-L387 WeakPolarHBondContact O-CB 3.36Å; L383-L387 WeakPolarHBondContact O-CD1 3.36Å; L383-L387 WeakPolarHBondContact O-CG 3.46Å; L383-L387 PolarHBondContact O-N 3.28Å; K384-L387 PolarHBondContact O-N 3.31Å; L387-N389 PolarHBondContact O-N 3.17Å; L387-M393 HydrophobicContact CD2-CE 3.96Å; L387-M393 HydrophobicContact CD2-SD 3.65Å; L387-V404 HydrophobicContact CD1-CG1 4Å; L387-V404 HydrophobicContact CD2-CG1 4.19Å; L387-Y408 HydrophobicContact CD1-CE2 3.73Å; L387-Y408 WeakPolarHBondContact CD1-OH 3.47Å
388E95.3Very high96.5Very high116 Ų11684.9 Ų84.954%0.54244%0.444SS..THydrogen-bonded Turntrans-75.7-1.4174.6-78.4179.6141.600113.8K384 V386K384-E388 WeakPolarHBondContact CE-OE1 3.49Å; K384-E388 WeakPolarHBondContact CE-OE2 3.36Å; K384-E388 HydrophobicContact CG-CG 4.2Å; K384-E388 IonicContact NZ-OE1 3.23Å; K384-E388 PolarHBondContact NZ-OE1 3.24Å; K384-E388 WeakPolarHBondContact O-CB 3.43Å; K384-E388 VanDerWaalsContact O-CG 3.32Å; K384-E388 WeakPolarHBondContact O-CG 3.49Å; K384-E388 PolarHBondContact O-N 3.31Å; V386-E388 VanDerWaalsContact C-N 3.32Å; V386-E388 PolarHBondContact O-N 3.41Å
389N96.1Very high96.5Very high55 Ų5587.7 Ų87.729%0.29445%0.449SS..  trans-113.9109.3176.1-176.512.9000111V386 L387 D391 D392 M393V386-N389 PolarHBondContact O-N 3.26Å; L387-N389 PolarHBondContact O-N 3.17Å; N389-D391 VanDerWaalsContact C-N 3.29Å; N389-D391 PolarHBondContact O-N 3.07Å; N389-D391 PolarHBondContact OD1-N 3.33Å; N389-D392 HydrophobicContact CB-CB 4.21Å; N389-D392 PolarHBondContact ND2-OD1 3.26Å; N389-D392 PolarHBondContact ND2-OD2 3.22Å; N389-D392 PolarHBondContact O-N 2.94Å; N389-M393 PolarHBondContact O-N 2.84Å; N389-M393 VanDerWaalsContact O-N 3.17Å
390E94.3Very high96.4Very high149 Ų14990.1 Ų90.170%0.69646%0.461SS*.Hα-helixtrans-64.2-32.4-177.9-57.892.5155.400112.8M393 L394E390-M393 PolarHBondContact O-N 2.98Å; E390-L394 PolarHBondContact O-N 3.12Å
391D95.7Very high96.4Very high121 Ų12190.6 Ų90.665%0.64746%0.462SS*.Hα-helixtrans-66.9-37.8178.1-77.6-25.5000111.7N389 M393 L394N389-D391 VanDerWaalsContact C-N 3.29Å; N389-D391 PolarHBondContact O-N 3.07Å; N389-D391 PolarHBondContact OD1-N 3.33Å; D391-M393 VanDerWaalsContact C-N 3.34Å; D391-L394 PolarHBondContact O-N 3.33Å
392D96Very high96.4Very high61 Ų6187.9 Ų87.933%0.32645%0.451SS..Hα-helixtrans-71.2-32.5175.1-71.3-26.3000110.9V386 N389 L394 L395 F396V386-D392 HydrophobicContact CG1-CB 4.33Å; N389-D392 HydrophobicContact CB-CB 4.21Å; N389-D392 PolarHBondContact ND2-OD1 3.26Å; N389-D392 PolarHBondContact ND2-OD2 3.22Å; N389-D392 PolarHBondContact O-N 2.94Å; D392-L394 PolarHBondContact O-N 3.37Å; D392-L395 WeakPolarHBondContact O-CB 3.17Å; D392-L395 PolarHBondContact O-N 2.82Å; D392-L395 VanDerWaalsContact O-N 3.07Å; D392-F396 WeakPolarHBondContact O-CD2 3.33Å
393M95.9Very high96.4Very high35 Ų3587 Ų8717%0.17244%0.442CS..Hα-helixtrans-68.8-13.3175.8-74.7-61.5104.800114.8V386 L387 N389 E390 D391 L395 F396 K401V386-M393 HydrophobicContact CG1-CE 3.82Å; L387-M393 HydrophobicContact CD2-CE 3.96Å; L387-M393 HydrophobicContact CD2-SD 3.65Å; N389-M393 PolarHBondContact O-N 2.84Å; N389-M393 VanDerWaalsContact O-N 3.17Å; E390-M393 PolarHBondContact O-N 2.98Å; D391-M393 VanDerWaalsContact C-N 3.34Å; M393-L395 VanDerWaalsContact C-N 3.31Å; M393-F396 HydrophobicContact CE-CD2 3.68Å; M393-F396 HydrophobicContact CE-CE2 3.79Å; M393-K401 WeakPolarHBondContact O-CE 3.45Å; M393-K401 PolarHBondContact O-NZ 2.71Å; M393-K401 VanDerWaalsContact O-NZ 3.1Å
394L95.7Very high96.4Very high138 Ų13887.4 Ų87.472%0.72345%0.446SS*.THydrogen-bonded Turntrans-80.7-10.2170.1-65174.9000113.3E390 D391 D392E390-L394 PolarHBondContact O-N 3.12Å; D391-L394 PolarHBondContact O-N 3.33Å; D392-L394 PolarHBondContact O-N 3.37Å
395L97.6Very high96.4Very high132 Ų13285.7 Ų85.769%0.69145%0.445SS*.SBendtrans-84.6-13.1177.6-56179.1000113.5D392 M393D392-L395 WeakPolarHBondContact O-CB 3.17Å; D392-L395 PolarHBondContact O-N 2.82Å; D392-L395 VanDerWaalsContact O-N 3.07Å; M393-L395 VanDerWaalsContact C-N 3.31Å
396F97.1Very high96.5Very high84 Ų8486 Ų8637%0.36844%0.439SS..SBendtrans-110.6146.6-179-58.2-80.7000111.2V386 D392 M393 E400 K401V386-F396 HydrophobicContact CG1-CE2 4.4Å; D392-F396 WeakPolarHBondContact O-CD2 3.33Å; M393-F396 HydrophobicContact CE-CD2 3.68Å; M393-F396 HydrophobicContact CE-CE2 3.79Å; F396-E400 VanDerWaalsContact CA-OE2 3.26Å; F396-E400 WeakPolarHBondContact CA-OE2 3.49Å; F396-E400 HydrophobicContact CB-CB 4.19Å; F396-E400 HydrophobicContact CD1-CB 4.41Å; F396-K401 HydrophobicContact CB-CG 4.4Å; F396-K401 WeakPolarHBondContact O-CE 3.25Å; F396-K401 PolarHBondContact O-NZ 2.77Å
397D97.6Very high96.6Very high84 Ų8483.7 Ų83.745%0.44942%0.424SS..  trans-85174.1172.38126.5000113.1Q399 E400 K401D397-Q399 VanDerWaalsContact C-N 3.28Å; D397-Q399 PolarHBondContact O-N 2.95Å; D397-Q399 VanDerWaalsContact OD1-CA 3.28Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.44Å; D397-Q399 VanDerWaalsContact OD1-CB 3.24Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.29Å; D397-Q399 PolarHBondContact OD1-N 2.95Å; D397-E400 PolarHBondContact N-OE2 3.42Å; D397-E400 PolarHBondContact O-N 2.84Å; D397-E400 PolarHBondContact OD1-N 3.33Å; D397-K401 VanDerWaalsContact O-CG 3.31Å; D397-K401 WeakPolarHBondContact O-CG 3.39Å; D397-K401 PolarHBondContact O-N 3.1Å
398E97.3Very high96.6Very high140 Ų14085.2 Ų85.265%0.65443%0.426SS*.Hα-helixtrans-70.8-22.2-178.5-58-51124.800113.4K401 G402E398-K401 WeakPolarHBondContact OE1-CD 3.47Å; E398-K401 IonicContact OE1-NZ 2.81Å; E398-K401 PolarHBondContact OE1-NZ 3.12Å; E398-G402 PolarHBondContact O-N 2.9Å
399Q97.3Very high96.7Very high128 Ų12886.8 Ų86.860%0.59843%0.434SS*.Hα-helixtrans-75.9-37.3173.7-171.9-96.3-97.600110.3D397 G402 I403D397-Q399 VanDerWaalsContact C-N 3.28Å; D397-Q399 PolarHBondContact O-N 2.95Å; D397-Q399 VanDerWaalsContact OD1-CA 3.28Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.44Å; D397-Q399 VanDerWaalsContact OD1-CB 3.24Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.29Å; D397-Q399 PolarHBondContact OD1-N 2.95Å; Q399-G402 PolarHBondContact O-N 3.1Å; Q399-I403 PolarHBondContact O-N 2.86Å; Q399-I403 VanDerWaalsContact O-N 3.12Å
400E96.8Very high96.8Very high82 Ų8284.7 Ų84.738%0.38342%0.423SS..Hα-helixtrans-68.8-44.9173.1-66.8178.8125.200112F396 D397 G402 I403 V404F396-E400 VanDerWaalsContact CA-OE2 3.26Å; F396-E400 WeakPolarHBondContact CA-OE2 3.49Å; F396-E400 HydrophobicContact CB-CB 4.19Å; F396-E400 HydrophobicContact CD1-CB 4.41Å; D397-E400 PolarHBondContact N-OE2 3.42Å; D397-E400 PolarHBondContact O-N 2.84Å; D397-E400 PolarHBondContact OD1-N 3.33Å; E400-G402 PolarHBondContact O-N 2.81Å; E400-I403 WeakPolarHBondContact O-CA 3.36Å; E400-I403 WeakPolarHBondContact O-CB 3.46Å; E400-I403 PolarHBondContact O-N 2.83Å; E400-V404 PolarHBondContact O-N 2.97Å
401K95.7Very high96.9Very high49 Ų4979.6 Ų79.621%0.21340%0.403CS..Hα-helixtrans-59.9-34.7170.4-67.2164.2-158.9165.70111.6M393 F396 D397 E398 I403 V404 T405M393-K401 WeakPolarHBondContact O-CE 3.45Å; M393-K401 PolarHBondContact O-NZ 2.71Å; M393-K401 VanDerWaalsContact O-NZ 3.1Å; F396-K401 HydrophobicContact CB-CG 4.4Å; F396-K401 WeakPolarHBondContact O-CE 3.25Å; F396-K401 PolarHBondContact O-NZ 2.77Å; D397-K401 VanDerWaalsContact O-CG 3.31Å; D397-K401 WeakPolarHBondContact O-CG 3.39Å; D397-K401 PolarHBondContact O-N 3.1Å; E398-K401 WeakPolarHBondContact OE1-CD 3.47Å; E398-K401 IonicContact OE1-NZ 2.81Å; E398-K401 PolarHBondContact OE1-NZ 3.12Å; K401-I403 VanDerWaalsContact C-N 3.34Å; K401-I403 PolarHBondContact O-N 3Å; K401-V404 PolarHBondContact O-N 2.99Å; K401-T405 WeakPolarHBondContact O-CB 3.45Å; K401-T405 PolarHBondContact O-N 2.88Å; K401-T405 PolarHBondContact O-OG1 3.48Å
402G97.1Very high96.9Very high28 Ų2876.3 Ų76.329%0.28939%0.393SS..Hα-helixtrans-59.3-38.3170.200000113.5E398 Q399 E400 T405 K406E398-G402 PolarHBondContact O-N 2.9Å; Q399-G402 PolarHBondContact O-N 3.1Å; E400-G402 PolarHBondContact O-N 2.81Å; G402-T405 PolarHBondContact O-N 3.25Å; G402-K406 WeakPolarHBondContact O-CG 3.36Å; G402-K406 PolarHBondContact O-N 2.99Å
403I97.6Very high96.9Very high73 Ų7375.6 Ų75.637%0.37439%0.391SS..Hα-helixtrans-64-46.9173.3-63.4170.1000110.4Q399 E400 K401 T405 K406 F407 F455Q399-I403 PolarHBondContact O-N 2.86Å; Q399-I403 VanDerWaalsContact O-N 3.12Å; E400-I403 WeakPolarHBondContact O-CA 3.36Å; E400-I403 WeakPolarHBondContact O-CB 3.46Å; E400-I403 PolarHBondContact O-N 2.83Å; K401-I403 VanDerWaalsContact C-N 3.34Å; K401-I403 PolarHBondContact O-N 3Å; I403-T405 VanDerWaalsContact C-N 3.28Å; I403-T405 PolarHBondContact O-N 2.98Å; I403-K406 WeakPolarHBondContact O-CB 3.35Å; I403-K406 PolarHBondContact O-N 3.43Å; I403-F407 PolarHBondContact O-N 3.24Å; I403-F455 HydrophobicContact CG2-CD1 4.5Å; I403-F455 HydrophobicContact CG2-CE1 3.55Å; I403-F455 HydrophobicContact CG2-CZ 4.06Å; I403-F455 WeakPolarHBondContact O-CZ 3.47Å
404V97.2Very high97Very high41 Ų4173.9 Ų73.925%0.24838%0.382CS..Hα-helixtrans-63.4-38.1179-174.10000111.2L383 L387 E400 K401 F407 Y408L383-V404 HydrophobicContact CD1-CG1 4.5Å; L383-V404 HydrophobicContact CD2-CG1 4.32Å; L387-V404 HydrophobicContact CD1-CG1 4Å; L387-V404 HydrophobicContact CD2-CG1 4.19Å; E400-V404 PolarHBondContact O-N 2.97Å; K401-V404 PolarHBondContact O-N 2.99Å; V404-F407 WeakPolarHBondContact O-CB 3.33Å; V404-F407 PolarHBondContact O-N 3.18Å; V404-Y408 HydrophobicContact CG1-CD2 4.22Å; V404-Y408 HydrophobicContact CG1-CE2 3.8Å; V404-Y408 VanDerWaalsContact O-CD2 3.25Å; V404-Y408 WeakPolarHBondContact O-CD2 3.47Å; V404-Y408 PolarHBondContact O-N 2.94Å
405T96.7Very high97Very high77 Ų7768.4 Ų68.447%0.47235%0.353SS..Hα-helixtrans-62.9-45.6174.9-56.60000111.7K401 G402 I403 F407 Y408 Q409K401-T405 WeakPolarHBondContact O-CB 3.45Å; K401-T405 PolarHBondContact O-N 2.88Å; K401-T405 PolarHBondContact O-OG1 3.48Å; G402-T405 PolarHBondContact O-N 3.25Å; I403-T405 VanDerWaalsContact C-N 3.28Å; I403-T405 PolarHBondContact O-N 2.98Å; T405-F407 VanDerWaalsContact C-N 3.28Å; T405-F407 PolarHBondContact O-N 3.29Å; T405-Y408 PolarHBondContact O-N 2.93Å; T405-Q409 WeakPolarHBondContact O-CG 3.39Å; T405-Q409 PolarHBondContact O-N 3.16Å
406K97.9Very high97Very high93 Ų9364 Ų6440%0.40433%0.328SS..Hα-helixtrans-58.7-38173.1-76.8175164.8-162.10112.4G402 I403 Y408 Q409 L410 A453 F455G402-K406 WeakPolarHBondContact O-CG 3.36Å; G402-K406 PolarHBondContact O-N 2.99Å; I403-K406 WeakPolarHBondContact O-CB 3.35Å; I403-K406 PolarHBondContact O-N 3.43Å; K406-Y408 VanDerWaalsContact C-N 3.32Å; K406-Y408 PolarHBondContact O-N 2.92Å; K406-Q409 WeakPolarHBondContact O-CB 3.48Å; K406-Q409 PolarHBondContact O-N 3.16Å; K406-Q409 VanDerWaalsContact O-N 3.08Å; K406-L410 PolarHBondContact O-N 2.98Å; K406-A453 PolarHBondContact NZ-O 3.33Å; K406-F455 HydrophobicContact CB-CE2 3.83Å; K406-F455 HydrophobicContact CB-CZ 3.88Å
407F98.1Very high97Very high5 Ų560 Ų602%0.02231%0.311CS..Hα-helixtrans-62.4-40179.3172.7-96.1000111.6L376 F379 L380 L383 I403 V404 T405 Q409 L410 Q415 Y418 V419 F455L376-F407 HydrophobicContact CD1-CZ 4.16Å; F379-F407 AromaticContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE1 3.99Å; F379-F407 HydrophobicContact CD1-CE2 4.45Å; F379-F407 AromaticContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CD1-CZ 3.73Å; F379-F407 HydrophobicContact CE1-CD1 4.29Å; F379-F407 HydrophobicContact CE1-CD2 4.44Å; F379-F407 AromaticContact CE1-CE1 3.76Å; F379-F407 HydrophobicContact CE1-CE1 3.76Å; F379-F407 AromaticContact CE1-CE2 3.94Å; F379-F407 HydrophobicContact CE1-CE2 3.94Å; F379-F407 AromaticContact CE1-CZ 3.57Å; F379-F407 HydrophobicContact CE1-CZ 3.57Å; L380-F407 HydrophobicContact CD2-CE1 3.99Å; L383-F407 HydrophobicContact CD1-CD1 3.63Å; L383-F407 HydrophobicContact CD1-CE1 3.7Å; I403-F407 PolarHBondContact O-N 3.24Å; V404-F407 WeakPolarHBondContact O-CB 3.33Å; V404-F407 PolarHBondContact O-N 3.18Å; T405-F407 VanDerWaalsContact C-N 3.28Å; T405-F407 PolarHBondContact O-N 3.29Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 2.83Å; F407-L410 HydrophobicContact CD2-CD1 3.91Å; F407-L410 HydrophobicContact CE2-CD1 4.47Å; F407-L410 WeakPolarHBondContact O-CB 3.46Å; F407-L410 PolarHBondContact O-N 3.22Å; F407-Q415 HydrophobicContact CE1-CG 4.37Å; F407-Q415 HydrophobicContact CE2-CB 4.04Å; F407-Q415 HydrophobicContact CE2-CG 3.98Å; F407-Q415 HydrophobicContact CZ-CB 3.91Å; F407-Q415 HydrophobicContact CZ-CG 3.88Å; F407-Q415 PolarHBondContact O-NE2 3.11Å; F407-Y418 AromaticContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CE1 4.17Å; F407-Y418 HydrophobicContact CD2-CG 4.35Å; F407-Y418 AromaticContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CE1 4.31Å; F407-Y418 HydrophobicContact CE2-CG 4.28Å; F407-V419 HydrophobicContact CE2-CG2 4.18Å; F407-V419 HydrophobicContact CZ-CG2 4.07Å; F407-F455 HydrophobicContact CB-CE1 4.31Å; F407-F455 HydrophobicContact CB-CE2 4.47Å; F407-F455 HydrophobicContact CB-CZ 3.73Å
408Y96.8Very high97Very high99 Ų9958.1 Ų58.139%0.38830%0.298SS..Hα-helixtrans-70.2-21.9174.3-72.8-65.8000114L380 L383 L387 V404 T405 K406L380-Y408 HydrophobicContact CD2-CD1 4.48Å; L380-Y408 HydrophobicContact CD2-CE1 3.78Å; L383-Y408 WeakPolarHBondContact CB-OH 3.19Å; L383-Y408 HydrophobicContact CD1-CE2 4.47Å; L387-Y408 HydrophobicContact CD1-CE2 3.73Å; L387-Y408 WeakPolarHBondContact CD1-OH 3.47Å; V404-Y408 HydrophobicContact CG1-CD2 4.22Å; V404-Y408 HydrophobicContact CG1-CE2 3.8Å; V404-Y408 VanDerWaalsContact O-CD2 3.25Å; V404-Y408 WeakPolarHBondContact O-CD2 3.47Å; V404-Y408 PolarHBondContact O-N 2.94Å; T405-Y408 PolarHBondContact O-N 2.93Å; K406-Y408 VanDerWaalsContact C-N 3.32Å; K406-Y408 PolarHBondContact O-N 2.92Å
409Q97.5Very high97Very high148 Ų14851.5 Ų51.569%0.69227%0.267SS*.Hα-helixtrans-80.2-15.9175.2-68169.4-9.700113.3T405 K406 F407T405-Q409 WeakPolarHBondContact O-CG 3.39Å; T405-Q409 PolarHBondContact O-N 3.16Å; K406-Q409 WeakPolarHBondContact O-CB 3.48Å; K406-Q409 PolarHBondContact O-N 3.16Å; K406-Q409 VanDerWaalsContact O-N 3.08Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 2.83Å
410L97.6Very high96.9Very high12 Ų1248.4 Ų48.46%0.06325%0.25CC..SBendtrans-64.9151.5174.6-65.5173.1000112.1K406 F407 Q415 E449 L450 A453 F455K406-L410 PolarHBondContact O-N 2.98Å; F407-L410 HydrophobicContact CD2-CD1 3.91Å; F407-L410 HydrophobicContact CE2-CD1 4.47Å; F407-L410 WeakPolarHBondContact O-CB 3.46Å; F407-L410 PolarHBondContact O-N 3.22Å; L410-Q415 HydrophobicContact CB-CG 3.81Å; L410-Q415 PolarHBondContact O-NE2 3.49Å; L410-E449 WeakPolarHBondContact CA-OE1 3.22Å; L410-E449 HydrophobicContact CD2-CG 4.28Å; L410-E449 WeakPolarHBondContact CD2-OE1 3.39Å; L410-L450 HydrophobicContact CD1-CD2 3.52Å; L410-L450 HydrophobicContact CD2-CD2 3.89Å; L410-L450 HydrophobicContact CG-CD2 4.35Å; L410-A453 HydrophobicContact CD2-CB 3.79Å; L410-F455 HydrophobicContact CD1-CD2 3.82Å; L410-F455 HydrophobicContact CD1-CE2 3.75Å; L410-F455 HydrophobicContact CD1-CZ 4.49Å; L410-F455 HydrophobicContact CD2-CD2 4.13Å; L410-F455 HydrophobicContact CD2-CE2 4.22Å; L410-F455 HydrophobicContact CG-CD2 4.31Å; L410-F455 HydrophobicContact CG-CE2 4.04Å
411S96.6Very high96.9Very high41 Ų4145.8 Ų45.829%0.28724%0.238SC..  trans-58.9155.9169.578.60000111.6T413 G414 Q415 E449S411-T413 PolarHBondContact O-N 2.98Å; S411-T413 VanDerWaalsContact O-N 3.1Å; S411-T413 PolarHBondContact OG-N 2.65Å; S411-T413 PolarHBondContact OG-OG1 2.75Å; S411-G414 PolarHBondContact O-N 2.67Å; S411-G414 PolarHBondContact OG-N 3.24Å; S411-Q415 WeakPolarHBondContact O-CG 3.32Å; S411-Q415 PolarHBondContact O-N 2.9Å; S411-E449 WeakPolarHBondContact CB-OE1 3.26Å; S411-E449 WeakPolarHBondContact CB-OE2 3.24Å; S411-E449 PolarHBondContact N-OE1 2.81Å; S411-E449 VanDerWaalsContact OG-CD 3.29Å; S411-E449 PolarHBondContact OG-OE1 3.11Å; S411-E449 PolarHBondContact OG-OE2 3.13Å
412A95.1Very high97Very high52 Ų5249.4 Ų49.443%0.4325%0.254SS..Hα-helixtrans-58.7-26.5175.700000112.6K416A412-K416 VanDerWaalsContact O-CG 3.22Å; A412-K416 WeakPolarHBondContact O-CG 3.35Å; A412-K416 PolarHBondContact O-N 2.72Å
413T96.3Very high96.8Very high46 Ų4653.1 Ų53.128%0.28226%0.264SS..Hα-helixtrans-73.9-45.2171.727.40000112.6S411 K416 L417 I439S411-T413 PolarHBondContact O-N 2.98Å; S411-T413 VanDerWaalsContact O-N 3.1Å; S411-T413 PolarHBondContact OG-N 2.65Å; S411-T413 PolarHBondContact OG-OG1 2.75Å; T413-K416 PolarHBondContact O-N 2.94Å; T413-L417 WeakPolarHBondContact O-CB 3.29Å; T413-L417 PolarHBondContact O-N 2.62Å; T413-I439 HydrophobicContact CG2-CG2 3.92Å; T413-I439 WeakPolarHBondContact CG2-O 3.32Å
414G96.7Very high96.7Very high0 Ų054.6 Ų54.60%027%0.265CS..Hα-helixtrans-59.2-4717400000111.8S411 K416 L417 Y418S411-G414 PolarHBondContact O-N 2.67Å; S411-G414 PolarHBondContact OG-N 3.24Å; G414-K416 PolarHBondContact O-N 3.44Å; G414-L417 PolarHBondContact O-N 3.14Å; G414-Y418 WeakPolarHBondContact O-CB 3.31Å; G414-Y418 PolarHBondContact O-N 3.18Å
415Q97.3Very high96.5Very high22 Ų2259 Ų5910%0.10328%0.281CS..Hα-helixtrans-60.9-45175.7-65.3-179.915.500112.6L376 F407 L410 S411 L417 V419L376-Q415 HydrophobicContact CD1-CB 3.99Å; L376-Q415 HydrophobicContact CD2-CB 4.18Å; F407-Q415 HydrophobicContact CE1-CG 4.37Å; F407-Q415 HydrophobicContact CE2-CB 4.04Å; F407-Q415 HydrophobicContact CE2-CG 3.98Å; F407-Q415 HydrophobicContact CZ-CB 3.91Å; F407-Q415 HydrophobicContact CZ-CG 3.88Å; F407-Q415 PolarHBondContact O-NE2 3.11Å; L410-Q415 HydrophobicContact CB-CG 3.81Å; L410-Q415 PolarHBondContact O-NE2 3.49Å; S411-Q415 WeakPolarHBondContact O-CG 3.32Å; S411-Q415 PolarHBondContact O-N 2.9Å; Q415-L417 PolarHBondContact O-N 3.48Å; Q415-V419 WeakPolarHBondContact O-CG2 3.33Å; Q415-V419 PolarHBondContact O-N 2.63Å; Q415-V419 VanDerWaalsContact O-N 3.12Å
416K96.3Very high96.4Very high39 Ų3963.7 Ų63.717%0.1730%0.302CS..Hα-helixtrans-57.1-49.4174.1-78.6174.2-172.2-177.90110.8P373 Y375 L376 A412 T413 G414 V419 R420 E438 I439P373-K416 HydrophobicContact CG-CD 4.33Å; P373-K416 HydrophobicContact CG-CG 4.34Å; Y375-K416 HydrophobicContact CE2-CB 4.33Å; L376-K416 HydrophobicContact CD2-CG 3.9Å; A412-K416 VanDerWaalsContact O-CG 3.22Å; A412-K416 WeakPolarHBondContact O-CG 3.35Å; A412-K416 PolarHBondContact O-N 2.72Å; T413-K416 PolarHBondContact O-N 2.94Å; G414-K416 PolarHBondContact O-N 3.44Å; K416-V419 PolarHBondContact O-N 2.8Å; K416-R420 WeakPolarHBondContact O-CG 3.41Å; K416-R420 PolarHBondContact O-N 2.73Å; K416-E438 PolarHBondContact NZ-O 3.38Å; K416-I439 HydrophobicContact CB-CD1 3.85Å; K416-I439 HydrophobicContact CB-CG1 3.93Å; K416-I439 HydrophobicContact CB-CG2 4.26Å; K416-I439 HydrophobicContact CD-CB 4.43Å; K416-I439 HydrophobicContact CD-CG1 4.01Å; K416-I439 HydrophobicContact CD-CG2 4.37Å
417L97.1Very high96.2Very high0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-67.6-45.6-174.9178.857000111.5T413 G414 Q415 V419 R420 L421 L434 Y436 I439 L443 V446 I447 L450T413-L417 WeakPolarHBondContact O-CB 3.29Å; T413-L417 PolarHBondContact O-N 2.62Å; G414-L417 PolarHBondContact O-N 3.14Å; Q415-L417 PolarHBondContact O-N 3.48Å; L417-V419 VanDerWaalsContact C-N 3.34Å; L417-V419 PolarHBondContact O-N 3.49Å; L417-R420 WeakPolarHBondContact O-CB 3.32Å; L417-R420 PolarHBondContact O-N 3.24Å; L417-L421 HydrophobicContact CD1-CD1 3.93Å; L417-L421 HydrophobicContact CD1-CG 4.02Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 WeakPolarHBondContact O-CG 3.37Å; L417-L421 PolarHBondContact O-N 3.07Å; L417-L434 HydrophobicContact CD1-CD2 3.94Å; L417-Y436 HydrophobicContact CD1-CD2 3.79Å; L417-Y436 HydrophobicContact CD1-CE2 3.97Å; L417-I439 HydrophobicContact CB-CD1 4.07Å; L417-I439 HydrophobicContact CB-CG2 4.42Å; L417-I439 HydrophobicContact CD1-CD1 4.32Å; L417-L443 HydrophobicContact CD2-CD2 4.49Å; L417-V446 HydrophobicContact CB-CG1 4.01Å; L417-V446 HydrophobicContact CD2-CB 3.95Å; L417-V446 HydrophobicContact CD2-CG1 3.69Å; L417-V446 HydrophobicContact CG-CG1 4.49Å; L417-I447 HydrophobicContact CD2-CG1 4.06Å; L417-L450 HydrophobicContact CB-CD1 4.07Å; L417-L450 HydrophobicContact CD2-CD1 3.85Å; L417-L450 HydrophobicContact CG-CD1 3.87Å
418Y97.8Very high96Very high46 Ų4664.6 Ų64.618%0.1831%0.311CS..Hα-helixtrans-54.5-49.8174.7179.2-99.3000111.5F379 F407 G414 R420 L421 F422 F455F379-Y418 HydrophobicContact CZ-CE1 4.1Å; F407-Y418 AromaticContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CD1 3.74Å; F407-Y418 HydrophobicContact CD2-CE1 4.17Å; F407-Y418 HydrophobicContact CD2-CG 4.35Å; F407-Y418 AromaticContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CD1 3.58Å; F407-Y418 HydrophobicContact CE2-CE1 4.31Å; F407-Y418 HydrophobicContact CE2-CG 4.28Å; G414-Y418 WeakPolarHBondContact O-CB 3.31Å; G414-Y418 PolarHBondContact O-N 3.18Å; Y418-R420 PolarHBondContact O-N 3.4Å; Y418-L421 PolarHBondContact O-N 2.95Å; Y418-L421 VanDerWaalsContact O-N 3.15Å; Y418-F422 HydrophobicContact CE1-CB 4.4Å; Y418-F422 HydrophobicContact CE1-CD2 4.34Å; Y418-F422 VanDerWaalsContact O-CB 3.29Å; Y418-F422 WeakPolarHBondContact O-CB 3.43Å; Y418-F422 PolarHBondContact O-N 3.18Å; Y418-F455 HydrophobicContact CD2-CB 3.87Å; Y418-F455 AromaticContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CG 4.09Å; Y418-F455 HydrophobicContact CE2-CB 3.99Å; Y418-F455 AromaticContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CD1 3.46Å; Y418-F455 VanDerWaalsContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CE1 4.28Å; Y418-F455 HydrophobicContact CE2-CG 4.05Å; Y418-F455 AromaticContact CZ-CD1 3.91Å
419V97.3Very high95.9Very high0 Ų062.2 Ų62.20%030%0.304CS..Hα-helixtrans-67-34.7-179.6177.50000112.1Y375 L376 F379 F407 Q415 K416 L417 L421 Q423Y375-V419 HydrophobicContact CD2-CB 4.35Å; Y375-V419 HydrophobicContact CD2-CG1 3.94Å; L376-V419 HydrophobicContact CD1-CG2 3.92Å; F379-V419 HydrophobicContact CB-CG1 3.86Å; F379-V419 HydrophobicContact CB-CG2 3.95Å; F379-V419 HydrophobicContact CD1-CG2 3.42Å; F379-V419 VanDerWaalsContact CD1-CG2 3.42Å; F379-V419 HydrophobicContact CD2-CG1 4.37Å; F379-V419 HydrophobicContact CD2-CG2 4.19Å; F379-V419 HydrophobicContact CE1-CG2 3.87Å; F379-V419 HydrophobicContact CG-CG1 4.11Å; F379-V419 HydrophobicContact CG-CG2 3.59Å; F379-V419 HydrophobicContact CZ-CG2 4.43Å; F407-V419 HydrophobicContact CE2-CG2 4.18Å; F407-V419 HydrophobicContact CZ-CG2 4.07Å; Q415-V419 WeakPolarHBondContact O-CG2 3.33Å; Q415-V419 PolarHBondContact O-N 2.63Å; Q415-V419 VanDerWaalsContact O-N 3.12Å; K416-V419 PolarHBondContact O-N 2.8Å; L417-V419 VanDerWaalsContact C-N 3.34Å; L417-V419 PolarHBondContact O-N 3.49Å; V419-L421 VanDerWaalsContact C-N 3.33Å; V419-L421 PolarHBondContact O-N 3.18Å; V419-Q423 VanDerWaalsContact O-CG 3.31Å; V419-Q423 WeakPolarHBondContact O-CG 3.47Å; V419-Q423 PolarHBondContact O-N 2.99Å
420R95.9Very high95.7Very high64 Ų6456 Ų5624%0.24228%0.275CS..Hα-helixtrans-61.9-37.8171.6-82.3-58.1-152.3179.45.8112.9Y375 K416 L417 Y418 R424 Y436 E438 I439Y375-R420 HydrophobicContact CD2-CG 4.46Å; Y375-R420 HydrophobicContact CE1-CG 4.4Å; Y375-R420 VanDerWaalsContact CE1-CZ 3.42Å; Y375-R420 VanDerWaalsContact CE1-NE 3.28Å; Y375-R420 HydrophobicContact CE2-CG 3.78Å; K416-R420 WeakPolarHBondContact O-CG 3.41Å; K416-R420 PolarHBondContact O-N 2.73Å; L417-R420 WeakPolarHBondContact O-CB 3.32Å; L417-R420 PolarHBondContact O-N 3.24Å; Y418-R420 PolarHBondContact O-N 3.4Å; R420-R424 WeakPolarHBondContact O-CD 3.35Å; R420-R424 WeakPolarHBondContact O-CG 3.48Å; R420-Y436 HydrophobicContact CB-CE1 4.06Å; R420-Y436 HydrophobicContact CB-CE2 4.16Å; R420-Y436 HydrophobicContact CG-CD1 4.14Å; R420-Y436 HydrophobicContact CG-CE1 3.84Å; R420-E438 IonicContact CZ-OE1 2.71Å; R420-E438 IonicContact NE-OE1 3.11Å; R420-E438 PolarHBondContact NE-OE1 3.21Å; R420-E438 IonicContact NH2-OE1 2.72Å; R420-E438 PolarHBondContact NH2-OE1 3.13Å; R420-E438 IonicContact NH2-OE2 2.73Å; R420-I439 HydrophobicContact CG-CD1 3.97Å
421L96.4Very high95.4Very high27 Ų2760.7 Ų60.714%0.14130%0.298CS..Hα-helixtrans-80.2-41-180-64.4176.2000111.9L417 Y418 V419 Q423 R424 I429 L434 Y436 L456L417-L421 HydrophobicContact CD1-CD1 3.93Å; L417-L421 HydrophobicContact CD1-CG 4.02Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 WeakPolarHBondContact O-CG 3.37Å; L417-L421 PolarHBondContact O-N 3.07Å; Y418-L421 PolarHBondContact O-N 2.95Å; Y418-L421 VanDerWaalsContact O-N 3.15Å; V419-L421 VanDerWaalsContact C-N 3.33Å; V419-L421 PolarHBondContact O-N 3.18Å; L421-Q423 PolarHBondContact O-N 3.37Å; L421-R424 WeakPolarHBondContact O-CB 3.47Å; L421-R424 PolarHBondContact O-N 2.88Å; L421-I429 HydrophobicContact CD2-CD1 3.84Å; L421-L434 HydrophobicContact CD2-CD1 4.34Å; L421-L434 HydrophobicContact CD2-CG 4.49Å; L421-Y436 HydrophobicContact CD2-CE2 4.41Å; L421-L456 HydrophobicContact CD1-CD1 3.91Å; L421-L456 HydrophobicContact CD1-CD2 3.84Å
422F96.8Very high95.1Very high124 Ų12464.8 Ų64.854%0.54432%0.321SS..Hα-helixtrans-57.4-32.3175.8-178.7-93.1000113.2F379 Y418 R424F379-F422 AromaticContact CE2-CD1 3.98Å; F379-F422 HydrophobicContact CE2-CD1 3.98Å; F379-F422 AromaticContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CE1 3.89Å; F379-F422 HydrophobicContact CE2-CZ 4.37Å; Y418-F422 HydrophobicContact CE1-CB 4.4Å; Y418-F422 HydrophobicContact CE1-CD2 4.34Å; Y418-F422 VanDerWaalsContact O-CB 3.29Å; Y418-F422 WeakPolarHBondContact O-CB 3.43Å; Y418-F422 PolarHBondContact O-N 3.18Å; F422-R424 VanDerWaalsContact C-N 3.31Å; F422-R424 PolarHBondContact O-N 2.76Å
423Q94.3Very high94.8Very high107 Ų10768.5 Ų68.550%0.533%0.328SS..THydrogen-bonded Turntrans-80.8-3.4177.1-68.7176.413.400114.3V419 L421V419-Q423 VanDerWaalsContact O-CG 3.31Å; V419-Q423 WeakPolarHBondContact O-CG 3.47Å; V419-Q423 PolarHBondContact O-N 2.99Å; L421-Q423 PolarHBondContact O-N 3.37Å
424R94.9Very high94.6Very high103 Ų10367.4 Ų67.439%0.38932%0.32SS..SBendtrans-95.4168.4178.1-68.2167.866.4151.1-0.2110.9R420 L421 F422 L426 Y436R420-R424 WeakPolarHBondContact O-CD 3.35Å; R420-R424 WeakPolarHBondContact O-CG 3.48Å; L421-R424 WeakPolarHBondContact O-CB 3.47Å; L421-R424 PolarHBondContact O-N 2.88Å; F422-R424 VanDerWaalsContact C-N 3.31Å; F422-R424 PolarHBondContact O-N 2.76Å; R424-L426 PolarHBondContact O-N 2.83Å; R424-Y436 WeakPolarHBondContact CD-OH 3.28Å; R424-Y436 PolarHBondContact NH1-OH 2.89Å
425K93.8Very high94.2Very high135 Ų13575 Ų7559%0.58736%0.356SS*.  trans-59123168.2-178.1-157.4165.5-175.90108.6S427 E470K425-S427 PolarHBondContact O-N 2.74Å; K425-S427 PolarHBondContact O-OG 2.99Å; K425-E470 IonicContact NZ-OE1 3.61Å; K425-E470 PolarHBondContact NZ-OE1 3.3Å; K425-E470 IonicContact NZ-OE2 3.75Å
426L94.3Very high94Very high175 Ų17575.3 Ų75.392%0.91636%0.356SS*.SBendtrans-54.4109.8168.6-177.363.3000109.6R424R424-L426 PolarHBondContact O-N 2.83Å
427S93.3Very high93.7Very high53 Ų5380.7 Ų80.737%0.37138%0.382SS..SBendtrans-174.2155.6-176.847.90000108.8K425K425-S427 PolarHBondContact O-N 2.74Å; K425-S427 PolarHBondContact O-OG 2.99Å
428W94.9Very high93.3Very high64 Ų6484.1 Ų84.124%0.24240%0.398CS..  trans-64.9143.4175.2-6688.6000111.4Q457 T458 L462 E467 L471W428-Q457 HydrophobicContact CH2-CB 3.93Å; W428-T458 VanDerWaalsContact CH2-O 3.27Å; W428-T458 WeakPolarHBondContact CH2-O 3.5Å; W428-T458 WeakPolarHBondContact CZ3-O 3.04Å; W428-L462 HydrophobicContact CD2-CB 4.36Å; W428-L462 HydrophobicContact CD2-CD1 4.29Å; W428-L462 HydrophobicContact CD2-CD2 3.84Å; W428-L462 HydrophobicContact CD2-CG 4.37Å; W428-L462 HydrophobicContact CE3-CB 4.4Å; W428-L462 HydrophobicContact CE3-CD2 4.06Å; W428-L462 HydrophobicContact CG-CD1 4.47Å; W428-L462 HydrophobicContact CG-CD2 4.11Å; W428-L462 HydrophobicContact CH2-CB 3.76Å; W428-L462 HydrophobicContact CZ2-CB 3.68Å; W428-L462 HydrophobicContact CZ2-CD1 4.17Å; W428-L462 HydrophobicContact CZ2-CG 4.34Å; W428-L462 HydrophobicContact CZ3-CB 4.12Å; W428-E467 PolarHBondContact NE1-OE2 2.9Å; W428-L471 HydrophobicContact CB-CD1 4.01Å; W428-L471 HydrophobicContact CB-CD2 4.02Å; W428-L471 HydrophobicContact CB-CG 4.42Å; W428-L471 WeakPolarHBondContact O-CD1 3.37Å
429I93.9Very high93Very high48 Ų4882.6 Ų82.625%0.24639%0.393CS..  trans-127.9125.5-178.9-62.8164.9000107.7L421 L434L421-I429 HydrophobicContact CD2-CD1 3.84Å; I429-L434 HydrophobicContact CG2-CB 4.1Å; I429-L434 HydrophobicContact CG2-CD1 4.18Å; I429-L434 HydrophobicContact CG2-CG 4.16Å
430K92.4Very high92.6Very high19 Ų1984 Ų848%0.08340%0.404CS..  trans-64.2135.4172.2-59.5-170.6170.9-143.50109.1T432 K433 L471 E476 L530 A531K430-T432 PolarHBondContact O-N 3.4Å; K430-K433 HydrophobicContact CB-CG 4.4Å; K430-K433 PolarHBondContact O-N 3.33Å; K430-L471 HydrophobicContact CG-CD1 3.63Å; K430-L471 HydrophobicContact CG-CG 4.06Å; K430-E476 WeakPolarHBondContact CE-OE2 3.09Å; K430-E476 IonicContact NZ-OE1 2.62Å; K430-E476 PolarHBondContact NZ-OE1 3.25Å; K430-E476 VanDerWaalsContact NZ-OE1 3.11Å; K430-E476 IonicContact NZ-OE2 3.19Å; K430-E476 PolarHBondContact NZ-OE2 3.35Å; K430-L530 PolarHBondContact NZ-O 3.03Å; K430-A531 WeakPolarHBondContact CD-O 3.44Å; K430-A531 WeakPolarHBondContact CE-O 3.44Å; K430-A531 WeakPolarHBondContact CG-O 3.43Å; K430-A531 PolarHBondContact NZ-O 3.35Å
431M90.9Very high92.3Very high109 Ų10989.3 Ų89.354%0.53744%0.436SS..G310 helixtrans-54.5-36.8175.7-65.5-179.4-177.700111.8K433 L434M431-K433 PolarHBondContact O-N 2.95Å; M431-L434 WeakPolarHBondContact O-CB 3.49Å; M431-L434 PolarHBondContact O-N 2.67Å
432T90.4Very high92.2Very high128 Ų12892.3 Ų92.379%0.78545%0.452SS*.G310 helixtrans-65.71.7174.254.90000115.6K430K430-T432 PolarHBondContact O-N 3.4Å
433K90.3Very high92Very high129 Ų12987 Ų8756%0.56143%0.43SS*.G310 helixtrans-127.514.6173.1-62.5-177.8178.5176.60112.2K430 M431K430-K433 HydrophobicContact CB-CG 4.4Å; K430-K433 PolarHBondContact O-N 3.33Å; M431-K433 PolarHBondContact O-N 2.95Å
434L90.6Very high92Very high24 Ų2485.8 Ų85.813%0.12643%0.43CS..  trans-116.890.5-175.2-152.9172.6000106.9L417 L421 I429 M431 Y436 L443 I447L417-L434 HydrophobicContact CD1-CD2 3.94Å; L421-L434 HydrophobicContact CD2-CD1 4.34Å; L421-L434 HydrophobicContact CD2-CG 4.49Å; I429-L434 HydrophobicContact CG2-CB 4.1Å; I429-L434 HydrophobicContact CG2-CD1 4.18Å; I429-L434 HydrophobicContact CG2-CG 4.16Å; M431-L434 WeakPolarHBondContact O-CB 3.49Å; M431-L434 PolarHBondContact O-N 2.67Å; L434-Y436 HydrophobicContact CD2-CD2 3.69Å; L434-Y436 HydrophobicContact CD2-CE2 3.74Å; L434-L443 HydrophobicContact CD2-CD1 3.58Å; L434-L443 WeakPolarHBondContact O-CD1 3.31Å; L434-I447 HydrophobicContact CD1-CD1 4.31Å
435E90.2Very high92.1Very high160 Ų16084.4 Ų84.475%0.74843%0.434SS*.  trans-132.8124.4-170.8-175.2169.7-127.600108.3
436Y92.4Very high92.2Very high27 Ų2778.3 Ų78.311%0.10641%0.408CS..  trans-151.176.4-175.7-70.3-68.2000109.7L417 R420 L421 R424 L434 E438 I439 A440 L443L417-Y436 HydrophobicContact CD1-CD2 3.79Å; L417-Y436 HydrophobicContact CD1-CE2 3.97Å; R420-Y436 HydrophobicContact CB-CE1 4.06Å; R420-Y436 HydrophobicContact CB-CE2 4.16Å; R420-Y436 HydrophobicContact CG-CD1 4.14Å; R420-Y436 HydrophobicContact CG-CE1 3.84Å; L421-Y436 HydrophobicContact CD2-CE2 4.41Å; R424-Y436 WeakPolarHBondContact CD-OH 3.28Å; R424-Y436 PolarHBondContact NH1-OH 2.89Å; L434-Y436 HydrophobicContact CD2-CD2 3.69Å; L434-Y436 HydrophobicContact CD2-CE2 3.74Å; Y436-E438 PolarHBondContact O-N 2.92Å; Y436-I439 HydrophobicContact CD1-CD1 4.49Å; Y436-I439 HydrophobicContact CD2-CD1 4.27Å; Y436-I439 HydrophobicContact CG-CD1 3.93Å; Y436-I439 WeakPolarHBondContact O-CB 3.39Å; Y436-I439 PolarHBondContact O-N 3.48Å; Y436-A440 PolarHBondContact O-N 3.47Å; Y436-L443 HydrophobicContact CD2-CD1 4.08Å
437E88.9Confident92.3Very high153 Ų15371 Ų7172%0.71537%0.37SS*.THydrogen-bonded Turntrans-53.6-26.9-179.8-60.3-179.7162.400113.1I439E437-I439 PolarHBondContact O-N 3.08Å
438E89Confident92.4Very high72 Ų7274.2 Ų74.234%0.33638%0.379SS..THydrogen-bonded Turntrans-77.1-4.517891.9-77.1-169.200114.3Y375 K416 R420 Y436Y375-E438 PolarHBondContact OH-OE1 2.78Å; K416-E438 PolarHBondContact NZ-O 3.38Å; R420-E438 IonicContact CZ-OE1 2.71Å; R420-E438 IonicContact NE-OE1 3.11Å; R420-E438 PolarHBondContact NE-OE1 3.21Å; R420-E438 IonicContact NH2-OE1 2.72Å; R420-E438 PolarHBondContact NH2-OE1 3.13Å; R420-E438 IonicContact NH2-OE2 2.73Å; Y436-E438 PolarHBondContact O-N 2.92Å
439I91.1Very high92.5Very high14 Ų1473.7 Ų73.77%0.07238%0.379CS..THydrogen-bonded Turntrans-106.7-64.2177.6-53.9-175.9000109.1T413 K416 L417 R420 Y436 E437 L443T413-I439 HydrophobicContact CG2-CG2 3.92Å; T413-I439 WeakPolarHBondContact CG2-O 3.32Å; K416-I439 HydrophobicContact CB-CD1 3.85Å; K416-I439 HydrophobicContact CB-CG1 3.93Å; K416-I439 HydrophobicContact CB-CG2 4.26Å; K416-I439 HydrophobicContact CD-CB 4.43Å; K416-I439 HydrophobicContact CD-CG1 4.01Å; K416-I439 HydrophobicContact CD-CG2 4.37Å; L417-I439 HydrophobicContact CB-CD1 4.07Å; L417-I439 HydrophobicContact CB-CG2 4.42Å; L417-I439 HydrophobicContact CD1-CD1 4.32Å; R420-I439 HydrophobicContact CG-CD1 3.97Å; Y436-I439 HydrophobicContact CD1-CD1 4.49Å; Y436-I439 HydrophobicContact CD2-CD1 4.27Å; Y436-I439 HydrophobicContact CG-CD1 3.93Å; Y436-I439 WeakPolarHBondContact O-CB 3.39Å; Y436-I439 PolarHBondContact O-N 3.48Å; E437-I439 PolarHBondContact O-N 3.08Å; I439-L443 HydrophobicContact CB-CD2 4.07Å; I439-L443 HydrophobicContact CG2-CD2 3.93Å
440A90.4Very high92.7Very high29 Ų2971.4 Ų71.424%0.2437%0.368CS..  trans-162.5157.1175.700000110.8Y436 D442 L443Y436-A440 PolarHBondContact O-N 3.47Å; A440-D442 VanDerWaalsContact CB-O 3.26Å; A440-D442 WeakPolarHBondContact CB-O 3.38Å; A440-L443 HydrophobicContact CB-CD2 4.1Å
441L90Very high92.9Very high175 Ų17572.3 Ų72.392%0.91638%0.375SS*.SBendtrans-72.9-32.3175-62.7176000112.5
442D92.5Very high93.2Very high90 Ų9073.1 Ų73.148%0.48138%0.381SS..  trans-116.9126.5166.9176.523.9000108.5A440 T444 P445A440-D442 VanDerWaalsContact CB-O 3.26Å; A440-D442 WeakPolarHBondContact CB-O 3.38Å; D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.2Å; D442-T444 PolarHBondContact OD1-OG1 3.34Å; D442-P445 WeakPolarHBondContact OD2-CD 3.48Å
443L93.9Very high93.5Very high13 Ų1368.1 Ų68.17%0.06835%0.353CS..  trans-99.1-5.7179.5-64171000112.4L417 L434 Y436 I439 A440 V446 I447L417-L443 HydrophobicContact CD2-CD2 4.49Å; L434-L443 HydrophobicContact CD2-CD1 3.58Å; L434-L443 WeakPolarHBondContact O-CD1 3.31Å; Y436-L443 HydrophobicContact CD2-CD1 4.08Å; I439-L443 HydrophobicContact CB-CD2 4.07Å; I439-L443 HydrophobicContact CG2-CD2 3.93Å; A440-L443 HydrophobicContact CB-CD2 4.1Å; L443-V446 HydrophobicContact CD2-CG2 4.46Å; L443-V446 PolarHBondContact O-N 3.4Å; L443-I447 HydrophobicContact CB-CD1 4.28Å; L443-I447 VanDerWaalsContact O-CG1 3.32Å; L443-I447 WeakPolarHBondContact O-CG1 3.15Å; L443-I447 PolarHBondContact O-N 3.28Å
444T94.3Very high93.7Very high82 Ų8264.8 Ų64.850%0.50336%0.355SS..Hα-helixtrans-50.5-53.7177.4-49.40000113D442 V446 I447 E448D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.2Å; D442-T444 PolarHBondContact OD1-OG1 3.34Å; T444-V446 VanDerWaalsContact C-N 3.27Å; T444-V446 PolarHBondContact O-N 3.07Å; T444-I447 PolarHBondContact O-N 3.32Å; T444-E448 PolarHBondContact O-N 2.84Å
445P95.6Very high94Very high73 Ų7365.2 Ų65.247%0.47436%0.356SS..Hα-helixtrans-66.7-27.1178.726.5-35.5000113.2D442 E449D442-P445 WeakPolarHBondContact OD2-CD 3.48Å; P445-E449 WeakPolarHBondContact O-CB 3.45Å; P445-E449 PolarHBondContact O-N 3.14Å
446V96.5Very high94.4Very high7 Ų759.6 Ų59.64%0.04233%0.331CS..Hα-helixtrans-76.6-32.8178.2-163.90000111L417 L443 T444 L450L417-V446 HydrophobicContact CB-CG1 4.01Å; L417-V446 HydrophobicContact CD2-CB 3.95Å; L417-V446 HydrophobicContact CD2-CG1 3.69Å; L417-V446 HydrophobicContact CG-CG1 4.49Å; L443-V446 HydrophobicContact CD2-CG2 4.46Å; L443-V446 PolarHBondContact O-N 3.4Å; T444-V446 VanDerWaalsContact C-N 3.27Å; T444-V446 PolarHBondContact O-N 3.07Å; V446-L450 WeakPolarHBondContact O-CB 3.44Å; V446-L450 VanDerWaalsContact O-CG 3.29Å; V446-L450 WeakPolarHBondContact O-CG 3.45Å; V446-L450 PolarHBondContact O-N 3.37Å; V446-L450 VanDerWaalsContact O-N 3.16Å
447I95.8Very high94.5Very high23 Ų2364.5 Ų64.512%0.11836%0.355CS..Hα-helixtrans-70.9-40171.9-67.3163.9000110.4L417 L434 L443 T444 L450 T451 L456L417-I447 HydrophobicContact CD2-CG1 4.06Å; L434-I447 HydrophobicContact CD1-CD1 4.31Å; L443-I447 HydrophobicContact CB-CD1 4.28Å; L443-I447 VanDerWaalsContact O-CG1 3.32Å; L443-I447 WeakPolarHBondContact O-CG1 3.15Å; L443-I447 PolarHBondContact O-N 3.28Å; T444-I447 PolarHBondContact O-N 3.32Å; I447-L450 PolarHBondContact O-N 3.03Å; I447-T451 WeakPolarHBondContact O-CB 3.43Å; I447-T451 PolarHBondContact O-N 3.44Å; I447-T451 PolarHBondContact O-OG1 2.97Å; I447-L456 HydrophobicContact CG2-CD1 4.49Å
448E96.1Very high94.7Very high119 Ų11959 Ų5956%0.55633%0.332SS*.Hα-helixtrans-61.9-47.1174.4-175.5177.3179.900111.3T444 L450 T451 N452T444-E448 PolarHBondContact O-N 2.84Å; E448-L450 PolarHBondContact O-N 3.27Å; E448-T451 PolarHBondContact O-N 3.23Å; E448-N452 WeakPolarHBondContact O-CB 3.44Å; E448-N452 VanDerWaalsContact O-CG 3.29Å; E448-N452 PolarHBondContact O-N 2.84Å; E448-N452 PolarHBondContact O-ND2 3.09Å
449E97.6Very high94.8Very high54 Ų5460.8 Ų60.825%0.25234%0.34SS..Hα-helixtrans-53.6-50.8173.4-172.2-161.4148.300111.9L410 S411 P445 T451 N452 A453L410-E449 WeakPolarHBondContact CA-OE1 3.22Å; L410-E449 HydrophobicContact CD2-CG 4.28Å; L410-E449 WeakPolarHBondContact CD2-OE1 3.39Å; S411-E449 WeakPolarHBondContact CB-OE1 3.26Å; S411-E449 WeakPolarHBondContact CB-OE2 3.24Å; S411-E449 PolarHBondContact N-OE1 2.81Å; S411-E449 VanDerWaalsContact OG-CD 3.29Å; S411-E449 PolarHBondContact OG-OE1 3.11Å; S411-E449 PolarHBondContact OG-OE2 3.13Å; P445-E449 WeakPolarHBondContact O-CB 3.45Å; P445-E449 PolarHBondContact O-N 3.14Å; E449-T451 PolarHBondContact O-N 3.32Å; E449-N452 PolarHBondContact O-N 3.05Å; E449-A453 WeakPolarHBondContact O-CB 3.46Å; E449-A453 PolarHBondContact O-N 3.39Å
450L97.4Very high94.7Very high0 Ų064.3 Ų64.30%037%0.366CS..Hα-helixtrans-68.2-33.3-178.7-73172.2000113L410 L417 V446 I447 E448 G454 F455 L456L410-L450 HydrophobicContact CD1-CD2 3.52Å; L410-L450 HydrophobicContact CD2-CD2 3.89Å; L410-L450 HydrophobicContact CG-CD2 4.35Å; L417-L450 HydrophobicContact CB-CD1 4.07Å; L417-L450 HydrophobicContact CD2-CD1 3.85Å; L417-L450 HydrophobicContact CG-CD1 3.87Å; V446-L450 WeakPolarHBondContact O-CB 3.44Å; V446-L450 VanDerWaalsContact O-CG 3.29Å; V446-L450 WeakPolarHBondContact O-CG 3.45Å; V446-L450 PolarHBondContact O-N 3.37Å; V446-L450 VanDerWaalsContact O-N 3.16Å; I447-L450 PolarHBondContact O-N 3.03Å; E448-L450 PolarHBondContact O-N 3.27Å; L450-G454 PolarHBondContact O-N 2.94Å; L450-F455 HydrophobicContact CB-CB 4.42Å; L450-F455 HydrophobicContact CD2-CB 4.04Å; L450-F455 HydrophobicContact CD2-CD2 4.29Å; L450-F455 HydrophobicContact CD2-CG 4.46Å; L450-F455 PolarHBondContact O-N 2.8Å; L450-L456 HydrophobicContact CB-CB 4.23Å; L450-L456 HydrophobicContact CB-CD1 3.74Å; L450-L456 HydrophobicContact CB-CG 3.84Å; L450-L456 HydrophobicContact CD1-CD1 3.67Å; L450-L456 HydrophobicContact CD1-CG 4.23Å; L450-L456 HydrophobicContact CG-CD1 4.36Å; L450-L456 PolarHBondContact O-N 2.9Å
451T96.8Very high94.8Very high38 Ų3866.9 Ų66.923%0.23337%0.373CS..Hα-helixtrans-68.1-47.3173.5-60.90000110.7I447 E448 E449 A453 G454 L456 T458I447-T451 WeakPolarHBondContact O-CB 3.43Å; I447-T451 PolarHBondContact O-N 3.44Å; I447-T451 PolarHBondContact O-OG1 2.97Å; E448-T451 PolarHBondContact O-N 3.23Å; E449-T451 PolarHBondContact O-N 3.32Å; T451-A453 VanDerWaalsContact C-N 3.28Å; T451-A453 PolarHBondContact O-N 3.4Å; T451-G454 WeakPolarHBondContact O-CA 3.05Å; T451-G454 PolarHBondContact O-N 3.32Å; T451-L456 WeakPolarHBondContact CA-O 2.92Å; T451-T458 HydrophobicContact CG2-CG2 3.81Å
452N96.6Very high94.8Very high125 Ų12558.6 Ų58.667%0.66833%0.33SS*.Hα-helixtrans-62.3-33.7178.5-73.9-28.3000112.7E448 E449 G454E448-N452 WeakPolarHBondContact O-CB 3.44Å; E448-N452 VanDerWaalsContact O-CG 3.29Å; E448-N452 PolarHBondContact O-N 2.84Å; E448-N452 PolarHBondContact O-ND2 3.09Å; E449-N452 PolarHBondContact O-N 3.05Å; N452-G454 VanDerWaalsContact C-N 3.32Å
453A96.4Very high94.7Very high23 Ų2361.5 Ų61.519%0.1934%0.341CS..Hα-helixtrans-73.7-21172.800000113.6K406 L410 E449 T451 F455K406-A453 PolarHBondContact NZ-O 3.33Å; L410-A453 HydrophobicContact CD2-CB 3.79Å; E449-A453 WeakPolarHBondContact O-CB 3.46Å; E449-A453 PolarHBondContact O-N 3.39Å; T451-A453 VanDerWaalsContact C-N 3.28Å; T451-A453 PolarHBondContact O-N 3.4Å; A453-F455 HydrophobicContact CB-CD2 3.64Å; A453-F455 HydrophobicContact CB-CE2 4.01Å
454G96.1Very high94.6Very high60 Ų6065.5 Ų65.562%0.61936%0.359SS*.THydrogen-bonded Turntrans9123.2-177.600000114.9L450 T451 N452L450-G454 PolarHBondContact O-N 2.94Å; T451-G454 WeakPolarHBondContact O-CA 3.05Å; T451-G454 PolarHBondContact O-N 3.32Å; N452-G454 VanDerWaalsContact C-N 3.32Å
455F97.3Very high94.5Very high33 Ų3362.3 Ų62.315%0.14534%0.339CS..SBendtrans-96-22.2178.1-73.8-70.7000114.5I403 K406 F407 L410 Y418 L450 A453I403-F455 HydrophobicContact CG2-CD1 4.5Å; I403-F455 HydrophobicContact CG2-CE1 3.55Å; I403-F455 HydrophobicContact CG2-CZ 4.06Å; I403-F455 WeakPolarHBondContact O-CZ 3.47Å; K406-F455 HydrophobicContact CB-CE2 3.83Å; K406-F455 HydrophobicContact CB-CZ 3.88Å; F407-F455 HydrophobicContact CB-CE1 4.31Å; F407-F455 HydrophobicContact CB-CE2 4.47Å; F407-F455 HydrophobicContact CB-CZ 3.73Å; L410-F455 HydrophobicContact CD1-CD2 3.82Å; L410-F455 HydrophobicContact CD1-CE2 3.75Å; L410-F455 HydrophobicContact CD1-CZ 4.49Å; L410-F455 HydrophobicContact CD2-CD2 4.13Å; L410-F455 HydrophobicContact CD2-CE2 4.22Å; L410-F455 HydrophobicContact CG-CD2 4.31Å; L410-F455 HydrophobicContact CG-CE2 4.04Å; Y418-F455 HydrophobicContact CD2-CB 3.87Å; Y418-F455 AromaticContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CD1 3.93Å; Y418-F455 HydrophobicContact CD2-CG 4.09Å; Y418-F455 HydrophobicContact CE2-CB 3.99Å; Y418-F455 AromaticContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CD1 3.46Å; Y418-F455 VanDerWaalsContact CE2-CD1 3.46Å; Y418-F455 HydrophobicContact CE2-CE1 4.28Å; Y418-F455 HydrophobicContact CE2-CG 4.05Å; Y418-F455 AromaticContact CZ-CD1 3.91Å; L450-F455 HydrophobicContact CB-CB 4.42Å; L450-F455 HydrophobicContact CD2-CB 4.04Å; L450-F455 HydrophobicContact CD2-CD2 4.29Å; L450-F455 HydrophobicContact CD2-CG 4.46Å; L450-F455 PolarHBondContact O-N 2.8Å; A453-F455 HydrophobicContact CB-CD2 3.64Å; A453-F455 HydrophobicContact CB-CE2 4.01Å
456L96.7Very high94.3Very high42 Ų4261.1 Ų61.122%0.2233%0.332CS..  trans-127.2143.1176.3-69.9-178.3000110.7L421 I447 L450 T451L421-L456 HydrophobicContact CD1-CD1 3.91Å; L421-L456 HydrophobicContact CD1-CD2 3.84Å; I447-L456 HydrophobicContact CG2-CD1 4.49Å; L450-L456 HydrophobicContact CB-CB 4.23Å; L450-L456 HydrophobicContact CB-CD1 3.74Å; L450-L456 HydrophobicContact CB-CG 3.84Å; L450-L456 HydrophobicContact CD1-CD1 3.67Å; L450-L456 HydrophobicContact CD1-CG 4.23Å; L450-L456 HydrophobicContact CG-CD1 4.36Å; L450-L456 PolarHBondContact O-N 2.9Å; T451-L456 WeakPolarHBondContact CA-O 2.92Å
457Q95.1Very high94.2Very high129 Ų12964.7 Ų64.760%0.60335%0.348SS*.  trans-101.7146.6174.5-60-170.7-78.900109.8W428 E461W428-Q457 HydrophobicContact CH2-CB 3.93Å; Q457-E461 VanDerWaalsContact CA-OE1 3.22Å; Q457-E461 WeakPolarHBondContact CA-OE1 3.27Å; Q457-E461 HydrophobicContact CB-CB 4.41Å; Q457-E461 WeakPolarHBondContact CB-OE1 3.04Å; Q457-E461 WeakPolarHBondContact CG-OE2 3.37Å; Q457-E461 PolarHBondContact NE2-OE2 3.17Å
458T93.6Very high94.1Very high38 Ų3863.6 Ų63.623%0.23334%0.343CS..  trans-98.5167.618061.50000111.7W428 T451 S460 E461W428-T458 VanDerWaalsContact CH2-O 3.27Å; W428-T458 WeakPolarHBondContact CH2-O 3.5Å; W428-T458 WeakPolarHBondContact CZ3-O 3.04Å; T451-T458 HydrophobicContact CG2-CG2 3.81Å; T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 WeakPolarHBondContact OG1-CB 3.4Å; T458-E461 PolarHBondContact N-OE1 3.02Å; T458-E461 PolarHBondContact O-N 2.89Å
459E90.8Very high94Very high109 Ų10958 Ų5851%0.50932%0.316SS..THydrogen-bonded Turntrans-61.4-9.7174.777.6-64.1157.100113.3E461 K528E459-E461 VanDerWaalsContact C-N 3.34Å; E459-K528 WeakPolarHBondContact O-CE 3.5Å; E459-K528 PolarHBondContact O-NZ 3.15Å
460S89.8Confident93.7Very high88 Ų8860.6 Ų60.662%0.61533%0.329SS*.THydrogen-bonded Turntrans-61-41.7166.7-65.70000112.2T458T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 WeakPolarHBondContact OG1-CB 3.4Å
461E92.4Very high93.6Very high83 Ų8361.9 Ų61.939%0.38834%0.335SS..THydrogen-bonded Turntrans-81.8-18-176.8-66.5161.5-90.500113.2Q457 T458 E459 Q463Q457-E461 VanDerWaalsContact CA-OE1 3.22Å; Q457-E461 WeakPolarHBondContact CA-OE1 3.27Å; Q457-E461 HydrophobicContact CB-CB 4.41Å; Q457-E461 WeakPolarHBondContact CB-OE1 3.04Å; Q457-E461 WeakPolarHBondContact CG-OE2 3.37Å; Q457-E461 PolarHBondContact NE2-OE2 3.17Å; T458-E461 PolarHBondContact N-OE1 3.02Å; T458-E461 PolarHBondContact O-N 2.89Å; E459-E461 VanDerWaalsContact C-N 3.34Å; E461-Q463 WeakPolarHBondContact O-CG 3.37Å; E461-Q463 PolarHBondContact O-N 3.3Å
462L90.4Very high93.4Very high2 Ų260.1 Ų60.11%0.0132%0.324CS..  trans-64.686.8177.5174.543000111.8W428 E467 V468 L471 K528W428-L462 HydrophobicContact CD2-CB 4.36Å; W428-L462 HydrophobicContact CD2-CD1 4.29Å; W428-L462 HydrophobicContact CD2-CD2 3.84Å; W428-L462 HydrophobicContact CD2-CG 4.37Å; W428-L462 HydrophobicContact CE3-CB 4.4Å; W428-L462 HydrophobicContact CE3-CD2 4.06Å; W428-L462 HydrophobicContact CG-CD1 4.47Å; W428-L462 HydrophobicContact CG-CD2 4.11Å; W428-L462 HydrophobicContact CH2-CB 3.76Å; W428-L462 HydrophobicContact CZ2-CB 3.68Å; W428-L462 HydrophobicContact CZ2-CD1 4.17Å; W428-L462 HydrophobicContact CZ2-CG 4.34Å; W428-L462 HydrophobicContact CZ3-CB 4.12Å; L462-E467 HydrophobicContact CD1-CB 3.75Å; L462-V468 HydrophobicContact CD1-CG2 3.57Å; L462-V468 HydrophobicContact CD2-CG2 3.91Å; L462-V468 HydrophobicContact CG-CG2 3.59Å; L462-L471 HydrophobicContact CD2-CD2 4.19Å; L462-K528 WeakPolarHBondContact O-CD 3.48Å; L462-K528 WeakPolarHBondContact O-CE 3.27Å; L462-K528 PolarHBondContact O-NZ 2.88Å
463Q90.3Very high93.2Very high151 Ų15155.5 Ų55.571%0.70630%0.302SS*.  trans-101.7-26.6-178-67.5-178.328.800113.7E461 L524E461-Q463 WeakPolarHBondContact O-CG 3.37Å; E461-Q463 PolarHBondContact O-N 3.3Å; Q463-L524 WeakPolarHBondContact O-CD1 3.49Å; Q463-L524 WeakPolarHBondContact O-CD2 3.48Å
464E91.6Very high92.9Very high97 Ų9757.2 Ų57.245%0.45332%0.316SS..  trans-77.1130.2-177-178.449-109.100111.8S466 E467 V468E464-S466 WeakPolarHBondContact CG-OG 3.28Å; E464-S466 PolarHBondContact OE1-N 2.9Å; E464-E467 HydrophobicContact CB-CG 4.14Å; E464-E467 HydrophobicContact CG-CG 4.18Å; E464-E467 PolarHBondContact O-N 3.3Å; E464-V468 PolarHBondContact O-N 3.38Å
465L91.9Very high92.7Very high14 Ų1458.9 Ų58.97%0.07332%0.316CS..Hα-helixtrans-71.9-36-173.217859.6000112.2E467 V468 L469 L501 A504 I523 L524L465-E467 PolarHBondContact O-N 3.08Å; L465-V468 PolarHBondContact O-N 3.12Å; L465-L469 HydrophobicContact CD1-CD1 3.92Å; L465-L469 HydrophobicContact CD1-CG 4Å; L465-L469 HydrophobicContact CD2-CD1 4.45Å; L465-L469 HydrophobicContact CG-CD1 3.77Å; L465-L469 HydrophobicContact CG-CG 4.33Å; L465-L469 WeakPolarHBondContact O-CD1 3.42Å; L465-L469 WeakPolarHBondContact O-CG 3.31Å; L465-L469 PolarHBondContact O-N 3.36Å; L465-L469 VanDerWaalsContact O-N 3.13Å; L465-L501 HydrophobicContact CB-CD2 4.33Å; L465-L501 HydrophobicContact CD2-CD2 4.23Å; L465-L501 HydrophobicContact CG-CD2 4.1Å; L465-A504 HydrophobicContact CD2-CB 3.4Å; L465-I523 HydrophobicContact CD1-CB 4.43Å; L465-I523 HydrophobicContact CD1-CG2 3.86Å; L465-I523 HydrophobicContact CD2-CG2 4.37Å; L465-L524 HydrophobicContact CB-CD1 4.25Å; L465-L524 HydrophobicContact CD1-CB 4.22Å; L465-L524 HydrophobicContact CD1-CD1 4.12Å
466S91.8Very high92.5Very high48 Ų4859.5 Ų59.534%0.33632%0.319SS..Hα-helixtrans-61.3-34.7176.847.80000112.5E464 L469 E470E464-S466 WeakPolarHBondContact CG-OG 3.28Å; E464-S466 PolarHBondContact OE1-N 2.9Å; S466-L469 PolarHBondContact O-N 3.14Å; S466-E470 PolarHBondContact O-N 3.08Å
467E93.8Very high92.3Very high83 Ų8357.5 Ų57.539%0.38831%0.309SS..Hα-helixtrans-70.6-44.2-177.8-66.7179.7-171.200111.8W428 L462 E464 L465 L469 E470 L471W428-E467 PolarHBondContact NE1-OE2 2.9Å; L462-E467 HydrophobicContact CD1-CB 3.75Å; E464-E467 HydrophobicContact CB-CG 4.14Å; E464-E467 HydrophobicContact CG-CG 4.18Å; E464-E467 PolarHBondContact O-N 3.3Å; L465-E467 PolarHBondContact O-N 3.08Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.09Å; E467-E470 PolarHBondContact O-N 2.89Å; E467-L471 PolarHBondContact O-N 2.89Å
468V94Very high92.1Very high0 Ų054.7 Ų54.70%030%0.295CS..Hα-helixtrans-61.2-40.8173.1-167.40000110.9L462 E464 L465 E470 L471 L472 L524 A527 K528L462-V468 HydrophobicContact CD1-CG2 3.57Å; L462-V468 HydrophobicContact CD2-CG2 3.91Å; L462-V468 HydrophobicContact CG-CG2 3.59Å; E464-V468 PolarHBondContact O-N 3.38Å; L465-V468 PolarHBondContact O-N 3.12Å; V468-E470 VanDerWaalsContact C-N 3.34Å; V468-E470 PolarHBondContact O-N 3.37Å; V468-L471 WeakPolarHBondContact O-CB 3.46Å; V468-L471 PolarHBondContact O-N 3.1Å; V468-L472 WeakPolarHBondContact O-CG 3.36Å; V468-L472 PolarHBondContact O-N 2.97Å; V468-L472 VanDerWaalsContact O-N 3.14Å; V468-L524 HydrophobicContact CG2-CD1 3.61Å; V468-A527 HydrophobicContact CB-CB 4.27Å; V468-A527 HydrophobicContact CG1-CB 3.49Å; V468-A527 VanDerWaalsContact CG1-CB 3.49Å; V468-K528 HydrophobicContact CG1-CG 3.93Å; V468-K528 HydrophobicContact CG2-CD 4.34Å; V468-K528 HydrophobicContact CG2-CG 3.78Å
469L93.3Very high92Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-71.4-26.9179.8-64.3170.6000112.8L465 S466 E467 L472 L477 L480 K493 V497 F500 L501 A527L465-L469 HydrophobicContact CD1-CD1 3.92Å; L465-L469 HydrophobicContact CD1-CG 4Å; L465-L469 HydrophobicContact CD2-CD1 4.45Å; L465-L469 HydrophobicContact CG-CD1 3.77Å; L465-L469 HydrophobicContact CG-CG 4.33Å; L465-L469 WeakPolarHBondContact O-CD1 3.42Å; L465-L469 WeakPolarHBondContact O-CG 3.31Å; L465-L469 PolarHBondContact O-N 3.36Å; L465-L469 VanDerWaalsContact O-N 3.13Å; S466-L469 PolarHBondContact O-N 3.14Å; E467-L469 VanDerWaalsContact C-N 3.29Å; E467-L469 PolarHBondContact O-N 3.09Å; L469-L472 HydrophobicContact CD2-CD1 4.45Å; L469-L477 HydrophobicContact CD2-CD1 3.66Å; L469-L480 HydrophobicContact CD2-CD2 3.95Å; L469-K493 WeakPolarHBondContact O-CE 3.4Å; L469-V497 HydrophobicContact CB-CG1 4.01Å; L469-V497 HydrophobicContact CB-CG2 4.1Å; L469-V497 HydrophobicContact CD1-CG1 4.28Å; L469-F500 HydrophobicContact CD1-CB 3.58Å; L469-F500 HydrophobicContact CD1-CG 4.32Å; L469-F500 HydrophobicContact CD2-CB 4.29Å; L469-F500 HydrophobicContact CD2-CD2 3.94Å; L469-F500 HydrophobicContact CD2-CG 4.15Å; L469-L501 HydrophobicContact CD1-CD2 4.23Å; L469-L501 HydrophobicContact CD1-CG 4.29Å; L469-A527 HydrophobicContact CD2-CB 4.5Å
470E92.8Very high92.1Very high109 Ų10950.7 Ų50.751%0.50928%0.28SS..Hα-helixtrans-71.8-35.8168-165.9177.9157.600111.6K425 S466 E467 V468 L472 K493K425-E470 IonicContact NZ-OE1 3.61Å; K425-E470 PolarHBondContact NZ-OE1 3.3Å; K425-E470 IonicContact NZ-OE2 3.75Å; S466-E470 PolarHBondContact O-N 3.08Å; E467-E470 PolarHBondContact O-N 2.89Å; V468-E470 VanDerWaalsContact C-N 3.34Å; V468-E470 PolarHBondContact O-N 3.37Å; E470-L472 PolarHBondContact O-N 3.21Å; E470-K493 PolarHBondContact O-NZ 3.35Å
471L93.6Very high92.2Very high27 Ų2746.5 Ų46.514%0.14125%0.251CS..Hα-helixtrans-65.9-34.3177.7-175.959.9000113.8W428 K430 L462 E467 V468 A531W428-L471 HydrophobicContact CB-CD1 4.01Å; W428-L471 HydrophobicContact CB-CD2 4.02Å; W428-L471 HydrophobicContact CB-CG 4.42Å; W428-L471 WeakPolarHBondContact O-CD1 3.37Å; K430-L471 HydrophobicContact CG-CD1 3.63Å; K430-L471 HydrophobicContact CG-CG 4.06Å; L462-L471 HydrophobicContact CD2-CD2 4.19Å; E467-L471 PolarHBondContact O-N 2.89Å; V468-L471 WeakPolarHBondContact O-CB 3.46Å; V468-L471 PolarHBondContact O-N 3.1Å; L471-A531 HydrophobicContact CD2-CB 3.79Å; L471-A531 HydrophobicContact CG-CB 4.43Å
472L92.6Very high92.2Very high1 Ų149 Ų491%0.00526%0.261CS..SBendtrans-64.5142.7-178.1-67.2-172.3000113.7V468 L469 E470 E476 L477 L480 K493 A527 L530 A531V468-L472 WeakPolarHBondContact O-CG 3.36Å; V468-L472 PolarHBondContact O-N 2.97Å; V468-L472 VanDerWaalsContact O-N 3.14Å; L469-L472 HydrophobicContact CD2-CD1 4.45Å; E470-L472 PolarHBondContact O-N 3.21Å; L472-E476 VanDerWaalsContact CA-OE2 3.3Å; L472-E476 WeakPolarHBondContact CA-OE2 3.49Å; L472-E476 HydrophobicContact CB-CB 4.23Å; L472-E476 HydrophobicContact CD2-CB 4.19Å; L472-E476 WeakPolarHBondContact CD2-OE2 3.37Å; L472-L477 HydrophobicContact CB-CB 4.44Å; L472-L477 HydrophobicContact CD1-CD1 4.07Å; L472-L480 HydrophobicContact CD1-CD2 3.95Å; L472-K493 PolarHBondContact O-NZ 2.96Å; L472-A527 HydrophobicContact CD1-CB 4.18Å; L472-L530 HydrophobicContact CD2-CB 3.8Å; L472-L530 WeakPolarHBondContact CD2-O 3.34Å; L472-A531 HydrophobicContact CD2-CB 4.37Å
473S92.1Very high92.2Very high29 Ų2952.7 Ų52.720%0.20328%0.283CS..  trans-74.1163.2169.177.20000112P475 E476 L477S473-P475 WeakPolarHBondContact OG-CD 3.39Å; S473-P475 WeakPolarHBondContact OG-CG 3.39Å; S473-E476 VanDerWaalsContact CB-OE1 3.28Å; S473-E476 WeakPolarHBondContact CB-OE1 3.49Å; S473-E476 PolarHBondContact N-OE2 2.87Å; S473-E476 PolarHBondContact O-N 3.03Å; S473-E476 VanDerWaalsContact OG-CG 3.31Å; S473-E476 WeakPolarHBondContact OG-CG 3.45Å; S473-E476 PolarHBondContact OG-OE1 3.01Å; S473-E476 PolarHBondContact OG-OE2 3.46Å; S473-L477 WeakPolarHBondContact O-CB 3.3Å; S473-L477 PolarHBondContact O-N 3.21Å
474A91.1Very high92.1Very high58 Ų5847.3 Ų47.348%0.47926%0.257SS..Hα-helixtrans-56-45.9177.400000114.2K478A474-K478 WeakPolarHBondContact O-CG 3.33Å; A474-K478 PolarHBondContact O-N 3.3Å
475P91.3Very high91.9Very high95 Ų9550.6 Ų50.662%0.61727%0.272SS*.Hα-helixtrans-67.5-37.3176.425.1-33.9000113.5S473 K478 S479S473-P475 WeakPolarHBondContact OG-CD 3.39Å; S473-P475 WeakPolarHBondContact OG-CG 3.39Å; P475-K478 PolarHBondContact O-N 2.97Å; P475-S479 WeakPolarHBondContact O-CB 3.43Å; P475-S479 PolarHBondContact O-N 2.97Å
476E93.4Very high91.7Very high46 Ų4651.4 Ų51.422%0.21528%0.276CS..Hα-helixtrans-59.8-48.8174-70.8151.2-139.500111K430 L472 S473 K478 S479 L480 L530K430-E476 WeakPolarHBondContact CE-OE2 3.09Å; K430-E476 IonicContact NZ-OE1 2.62Å; K430-E476 PolarHBondContact NZ-OE1 3.25Å; K430-E476 VanDerWaalsContact NZ-OE1 3.11Å; K430-E476 IonicContact NZ-OE2 3.19Å; K430-E476 PolarHBondContact NZ-OE2 3.35Å; L472-E476 VanDerWaalsContact CA-OE2 3.3Å; L472-E476 WeakPolarHBondContact CA-OE2 3.49Å; L472-E476 HydrophobicContact CB-CB 4.23Å; L472-E476 HydrophobicContact CD2-CB 4.19Å; L472-E476 WeakPolarHBondContact CD2-OE2 3.37Å; S473-E476 VanDerWaalsContact CB-OE1 3.28Å; S473-E476 WeakPolarHBondContact CB-OE1 3.49Å; S473-E476 PolarHBondContact N-OE2 2.87Å; S473-E476 PolarHBondContact O-N 3.03Å; S473-E476 VanDerWaalsContact OG-CG 3.31Å; S473-E476 WeakPolarHBondContact OG-CG 3.45Å; S473-E476 PolarHBondContact OG-OE1 3.01Å; S473-E476 PolarHBondContact OG-OE2 3.46Å; E476-K478 VanDerWaalsContact C-N 3.32Å; E476-K478 PolarHBondContact O-N 2.82Å; E476-S479 WeakPolarHBondContact O-CB 3.37Å; E476-S479 PolarHBondContact O-N 3.11Å; E476-S479 VanDerWaalsContact O-N 3.08Å; E476-L480 PolarHBondContact O-N 3.15Å; E476-L530 HydrophobicContact CB-CB 4.42Å; E476-L530 HydrophobicContact CG-CB 4.5Å
477L92.8Very high91.2Very high0 Ų055.6 Ų55.60%030%0.3CS..Hα-helixtrans-64.8-34.9179.7-167.168.3000112L469 L472 S473 L480 A481 K493 L496 V497 F500L469-L477 HydrophobicContact CD2-CD1 3.66Å; L472-L477 HydrophobicContact CB-CB 4.44Å; L472-L477 HydrophobicContact CD1-CD1 4.07Å; S473-L477 WeakPolarHBondContact O-CB 3.3Å; S473-L477 PolarHBondContact O-N 3.21Å; L477-L480 HydrophobicContact CD1-CD2 4.48Å; L477-A481 VanDerWaalsContact O-CB 3.29Å; L477-A481 WeakPolarHBondContact O-CB 3.31Å; L477-A481 PolarHBondContact O-N 3.09Å; L477-K493 HydrophobicContact CD2-CG 3.77Å; L477-L496 HydrophobicContact CD2-CB 3.6Å; L477-L496 HydrophobicContact CD2-CD2 4.26Å; L477-L496 HydrophobicContact CG-CB 3.94Å; L477-L496 HydrophobicContact CG-CD2 4.01Å; L477-V497 HydrophobicContact CD2-CG2 3.96Å; L477-F500 HydrophobicContact CD1-CD2 3.81Å; L477-F500 HydrophobicContact CD1-CE2 3.6Å; L477-F500 HydrophobicContact CG-CE2 4.19Å
478K91.7Very high90.3Very high70 Ų7056.9 Ų56.930%0.30431%0.309SS..Hα-helixtrans-67.8-36170.9-74.3-168.4176.1-168.40112.9A474 P475 E476 A481 K482 L489 N490 L496A474-K478 WeakPolarHBondContact O-CG 3.33Å; A474-K478 PolarHBondContact O-N 3.3Å; P475-K478 PolarHBondContact O-N 2.97Å; E476-K478 VanDerWaalsContact C-N 3.32Å; E476-K478 PolarHBondContact O-N 2.82Å; K478-A481 PolarHBondContact O-N 2.88Å; K478-K482 WeakPolarHBondContact O-CG 3.2Å; K478-K482 PolarHBondContact O-N 2.89Å; K478-K482 VanDerWaalsContact O-N 3.09Å; K478-L489 WeakPolarHBondContact CD-O 3.34Å; K478-L489 VanDerWaalsContact CE-O 3.29Å; K478-L489 WeakPolarHBondContact CE-O 3.41Å; K478-L489 WeakPolarHBondContact CG-O 3.37Å; K478-N490 PolarHBondContact NZ-OD1 3.05Å; K478-L496 HydrophobicContact CG-CD2 4.11Å
479S91.7Very high89.5Confident61 Ų6159.6 Ų59.643%0.42732%0.324SS..Hα-helixtrans-65.8-45.4174.6-166.90000111.4P475 E476 A481 K482 T483P475-S479 WeakPolarHBondContact O-CB 3.43Å; P475-S479 PolarHBondContact O-N 2.97Å; E476-S479 WeakPolarHBondContact O-CB 3.37Å; E476-S479 PolarHBondContact O-N 3.11Å; E476-S479 VanDerWaalsContact O-N 3.08Å; S479-A481 VanDerWaalsContact C-N 3.29Å; S479-A481 PolarHBondContact O-N 3.46Å; S479-K482 PolarHBondContact O-N 3.44Å; S479-T483 PolarHBondContact O-N 3.03Å; S479-T483 VanDerWaalsContact O-N 3.15Å; S479-T483 PolarHBondContact O-OG1 3.17Å
480L92.4Very high88.7Confident2 Ų266.2 Ų66.21%0.0136%0.359CS..Hα-helixtrans-58.6-42.6171.6-164.769.8000110.7L469 L472 E476 L477 K482 T483 F484 F500 I523 R526 A527 L530L469-L480 HydrophobicContact CD2-CD2 3.95Å; L472-L480 HydrophobicContact CD1-CD2 3.95Å; E476-L480 PolarHBondContact O-N 3.15Å; L477-L480 HydrophobicContact CD1-CD2 4.48Å; L480-K482 VanDerWaalsContact C-N 3.33Å; L480-K482 PolarHBondContact O-N 3.45Å; L480-T483 WeakPolarHBondContact O-CB 3.49Å; L480-T483 PolarHBondContact O-N 3.29Å; L480-T483 VanDerWaalsContact O-N 3.09Å; L480-F484 HydrophobicContact CD1-CD2 4.12Å; L480-F484 HydrophobicContact CD1-CE2 3.77Å; L480-F484 HydrophobicContact CG-CD2 4.15Å; L480-F484 HydrophobicContact CG-CE2 4.25Å; L480-F484 WeakPolarHBondContact O-CD2 3.35Å; L480-F484 PolarHBondContact O-N 3.31Å; L480-F484 VanDerWaalsContact O-N 3.08Å; L480-F500 HydrophobicContact CB-CE2 4.37Å; L480-F500 HydrophobicContact CB-CZ 3.81Å; L480-F500 HydrophobicContact CD2-CE1 3.91Å; L480-F500 HydrophobicContact CD2-CE2 3.95Å; L480-F500 HydrophobicContact CD2-CZ 3.58Å; L480-F500 HydrophobicContact CG-CE1 3.86Å; L480-F500 HydrophobicContact CG-CE2 4.26Å; L480-F500 HydrophobicContact CG-CZ 3.49Å; L480-F500 VanDerWaalsContact CG-CZ 3.49Å; L480-I523 HydrophobicContact CD2-CG2 4.35Å; L480-R526 HydrophobicContact CD1-CB 3.65Å; L480-A527 HydrophobicContact CD2-CB 3.9Å; L480-L530 HydrophobicContact CB-CD1 4.01Å; L480-L530 HydrophobicContact CD1-CD1 4.04Å
481A91.8Very high88Confident0 Ų061.9 Ų61.90%034%0.344CS..Hα-helixtrans-65-35-178.300000113L477 K478 S479 H485 L486 L489 L496 F500L477-A481 VanDerWaalsContact O-CB 3.29Å; L477-A481 WeakPolarHBondContact O-CB 3.31Å; L477-A481 PolarHBondContact O-N 3.09Å; K478-A481 PolarHBondContact O-N 2.88Å; S479-A481 VanDerWaalsContact C-N 3.29Å; S479-A481 PolarHBondContact O-N 3.46Å; A481-H485 PolarHBondContact O-N 3.24Å; A481-H485 VanDerWaalsContact O-N 3.15Å; A481-L486 HydrophobicContact CB-CB 4.26Å; A481-L486 HydrophobicContact CB-CD1 4.14Å; A481-L486 PolarHBondContact O-N 3.07Å; A481-L489 VanDerWaalsContact C-CD2 3.42Å; A481-L489 HydrophobicContact CB-CD2 3.73Å; A481-L496 HydrophobicContact CB-CD2 3.91Å; A481-F500 HydrophobicContact CB-CE2 4.3Å; A481-F500 HydrophobicContact CB-CZ 4.18Å
482K91.3Very high87.7Confident137 Ų13767.2 Ų67.260%0.59637%0.368SS*.Hα-helixtrans-63.1-45.2169.9-71.1174.3179-176.90111.5K478 S479 L480 F484 H485 L489K478-K482 WeakPolarHBondContact O-CG 3.2Å; K478-K482 PolarHBondContact O-N 2.89Å; K478-K482 VanDerWaalsContact O-N 3.09Å; S479-K482 PolarHBondContact O-N 3.44Å; L480-K482 VanDerWaalsContact C-N 3.33Å; L480-K482 PolarHBondContact O-N 3.45Å; K482-F484 VanDerWaalsContact C-N 3.25Å; K482-F484 PolarHBondContact O-N 2.82Å; K482-H485 PolarHBondContact O-N 3.29Å; K482-H485 VanDerWaalsContact O-N 3.14Å; K482-L489 HydrophobicContact CG-CD1 3.92Å; K482-L489 HydrophobicContact CG-CD2 3.95Å
483T90.8Very high87.6Confident78 Ų7870.8 Ų70.848%0.47938%0.383SS..Hα-helixtrans-60.3-32.1179.5-52.60000113.1S479 L480S479-T483 PolarHBondContact O-N 3.03Å; S479-T483 VanDerWaalsContact O-N 3.15Å; S479-T483 PolarHBondContact O-OG1 3.17Å; L480-T483 WeakPolarHBondContact O-CB 3.49Å; L480-T483 PolarHBondContact O-N 3.29Å; L480-T483 VanDerWaalsContact O-N 3.09Å
484F89Confident87.5Confident38 Ų3874.4 Ų74.417%0.16740%0.397CS..THydrogen-bonded Turntrans-103.214.8178-72.4-83.6000113.8L480 K482 L486 F500 L503 V522 I523 R526L480-F484 HydrophobicContact CD1-CD2 4.12Å; L480-F484 HydrophobicContact CD1-CE2 3.77Å; L480-F484 HydrophobicContact CG-CD2 4.15Å; L480-F484 HydrophobicContact CG-CE2 4.25Å; L480-F484 WeakPolarHBondContact O-CD2 3.35Å; L480-F484 PolarHBondContact O-N 3.31Å; L480-F484 VanDerWaalsContact O-N 3.08Å; K482-F484 VanDerWaalsContact C-N 3.25Å; K482-F484 PolarHBondContact O-N 2.82Å; F484-L486 VanDerWaalsContact C-N 3.26Å; F484-L486 HydrophobicContact CB-CD1 3.88Å; F484-L486 PolarHBondContact O-N 3.09Å; F484-F500 HydrophobicContact CB-CE1 4.09Å; F484-F500 AromaticContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CG-CE1 4.16Å; F484-L503 HydrophobicContact CB-CD2 4.14Å; F484-L503 HydrophobicContact CD1-CD2 4.37Å; F484-V522 HydrophobicContact CE1-CG1 4.3Å; F484-V522 HydrophobicContact CZ-CG1 4.16Å; F484-I523 HydrophobicContact CD1-CG1 3.9Å; F484-I523 HydrophobicContact CD2-CG1 4.35Å; F484-I523 HydrophobicContact CE1-CG1 3.51Å; F484-I523 HydrophobicContact CE2-CB 4.39Å; F484-I523 HydrophobicContact CE2-CG1 4Å; F484-I523 HydrophobicContact CG-CG1 4.31Å; F484-I523 HydrophobicContact CZ-CB 4.12Å; F484-I523 HydrophobicContact CZ-CG1 3.56Å; F484-R526 HydrophobicContact CE2-CB 4.05Å; F484-R526 HydrophobicContact CE2-CG 4.23Å; F484-R526 HydrophobicContact CZ-CB 4.34Å; F484-R526 HydrophobicContact CZ-CG 4.17Å
485H88.1Confident87.5Confident167 Ų16776.3 Ų76.377%0.77340%0.396SS*.THydrogen-bonded Turntrans50.138.5176.6-55.6-63.8000115.1A481 K482A481-H485 PolarHBondContact O-N 3.24Å; A481-H485 VanDerWaalsContact O-N 3.15Å; K482-H485 PolarHBondContact O-N 3.29Å; K482-H485 VanDerWaalsContact O-N 3.14Å
486L86.6Confident87.5Confident30 Ų3072.1 Ų72.116%0.15737%0.368CS..  trans-71.8131.3177.6-78.5129.6000111.3A481 F484 N488 L489 A499 F500A481-L486 HydrophobicContact CB-CB 4.26Å; A481-L486 HydrophobicContact CB-CD1 4.14Å; A481-L486 PolarHBondContact O-N 3.07Å; F484-L486 VanDerWaalsContact C-N 3.26Å; F484-L486 HydrophobicContact CB-CD1 3.88Å; F484-L486 PolarHBondContact O-N 3.09Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.98Å; L486-L489 WeakPolarHBondContact O-CD2 3.34Å; L486-L489 WeakPolarHBondContact O-CG 3.47Å; L486-A499 HydrophobicContact CD2-CB 3.53Å; L486-F500 HydrophobicContact CD1-CD1 3.83Å; L486-F500 HydrophobicContact CD1-CD2 4.45Å; L486-F500 HydrophobicContact CD1-CE1 3.34Å; L486-F500 HydrophobicContact CD1-CE2 4.02Å; L486-F500 HydrophobicContact CD1-CG 4.35Å; L486-F500 HydrophobicContact CD1-CZ 3.44Å; L486-F500 VanDerWaalsContact CD1-CZ 3.44Å
487V80.5Confident87.5Confident137 Ų13770.3 Ų70.383%0.8336%0.361SS*.SBendtrans-55.4-43.9-173.8-173.20000112.6L489V487-L489 PolarHBondContact O-N 3.19Å
488N75.7Confident87.4Confident109 Ų10974.2 Ų74.258%0.58338%0.381SS*.  trans-97.359.2-170.7-67.7-0.9000112.7L486 N490 G491 L496L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.98Å; N488-N490 PolarHBondContact O-N 2.96Å; N488-G491 PolarHBondContact O-N 3.25Å; N488-L496 WeakPolarHBondContact O-CD1 3.37Å
489L76.4Confident87.4Confident58 Ų5872.4 Ų72.430%0.30438%0.38SS..THydrogen-bonded Turntrans-56.1-21.3-180-61.4179.9000114.9K478 A481 K482 L486 V487K478-L489 WeakPolarHBondContact CD-O 3.34Å; K478-L489 VanDerWaalsContact CE-O 3.29Å; K478-L489 WeakPolarHBondContact CE-O 3.41Å; K478-L489 WeakPolarHBondContact CG-O 3.37Å; A481-L489 VanDerWaalsContact C-CD2 3.42Å; A481-L489 HydrophobicContact CB-CD2 3.73Å; K482-L489 HydrophobicContact CG-CD1 3.92Å; K482-L489 HydrophobicContact CG-CD2 3.95Å; L486-L489 WeakPolarHBondContact O-CD2 3.34Å; L486-L489 WeakPolarHBondContact O-CG 3.47Å; V487-L489 PolarHBondContact O-N 3.19Å
490N77.4Confident87.4Confident139 Ų13969.5 Ų69.574%0.74336%0.359SS*.THydrogen-bonded Turntrans-107.610.1178.8-80.4-32.1000114.4K478 N488K478-N490 PolarHBondContact NZ-OD1 3.05Å; N488-N490 PolarHBondContact O-N 2.96Å
491G77.5Confident87.4Confident18 Ų1871.2 Ų71.219%0.18637%0.368CS..SBendtrans-62.7168.5175.100000114.1N488 L496N488-G491 PolarHBondContact O-N 3.25Å; G491-L496 WeakPolarHBondContact O-CD1 3.48Å
492Q88.8Confident87.4Confident139 Ų13978.4 Ų78.465%0.6540%0.399SS*.  trans-63.1150171.7-168.1-176.818.800110.1Q494 Q495 L496Q492-Q494 VanDerWaalsContact C-N 3.25Å; Q492-Q494 PolarHBondContact O-N 2.67Å; Q492-Q494 VanDerWaalsContact O-N 3.11Å; Q492-Q495 HydrophobicContact CB-CG 4.21Å; Q492-Q495 WeakPolarHBondContact O-CB 3.37Å; Q492-Q495 PolarHBondContact O-N 3.27Å; Q492-L496 WeakPolarHBondContact O-CD1 3.43Å; Q492-L496 PolarHBondContact O-N 3.28Å
493K88.9Confident87.3Confident76 Ų7673.2 Ų73.233%0.3338%0.378SS..Hα-helixtrans-45.1-49.9-179.6177.2171.5173.41720112.2L469 E470 L472 L477 Q495 L496 V497L469-K493 WeakPolarHBondContact O-CE 3.4Å; E470-K493 PolarHBondContact O-NZ 3.35Å; L472-K493 PolarHBondContact O-NZ 2.96Å; L477-K493 HydrophobicContact CD2-CG 3.77Å; K493-Q495 VanDerWaalsContact C-N 3.35Å; K493-Q495 PolarHBondContact O-N 3.18Å; K493-L496 PolarHBondContact O-N 3.21Å; K493-L496 VanDerWaalsContact O-N 3.13Å; K493-V497 HydrophobicContact CG-CG2 4.27Å; K493-V497 WeakPolarHBondContact O-CG2 3.49Å; K493-V497 PolarHBondContact O-N 3.38Å
494Q90.8Very high87.2Confident104 Ų10470.9 Ų70.949%0.48637%0.367SS..Hα-helixtrans-59.1-42.1-179.2-167.160.241.300113Q492 L496 V497 D498Q492-Q494 VanDerWaalsContact C-N 3.25Å; Q492-Q494 PolarHBondContact O-N 2.67Å; Q492-Q494 VanDerWaalsContact O-N 3.11Å; Q494-L496 VanDerWaalsContact C-N 3.27Å; Q494-L496 PolarHBondContact O-N 3.04Å; Q494-V497 WeakPolarHBondContact O-CB 3.29Å; Q494-V497 PolarHBondContact O-N 3.06Å; Q494-V497 VanDerWaalsContact O-N 3.11Å; Q494-D498 PolarHBondContact NE2-OD1 3.33Å; Q494-D498 WeakPolarHBondContact O-CB 3.36Å; Q494-D498 PolarHBondContact O-N 3.41Å
495Q91.3Very high87.1Confident98 Ų9877.4 Ų77.446%0.45840%0.395SS..Hα-helixtrans-61.9-34.8178.3-63.5172.3-25.900112.2Q492 K493 A499Q492-Q495 HydrophobicContact CB-CG 4.21Å; Q492-Q495 WeakPolarHBondContact O-CB 3.37Å; Q492-Q495 PolarHBondContact O-N 3.27Å; K493-Q495 VanDerWaalsContact C-N 3.35Å; K493-Q495 PolarHBondContact O-N 3.18Å; Q495-A499 WeakPolarHBondContact O-CB 3.43Å; Q495-A499 PolarHBondContact O-N 3.09Å; Q495-A499 VanDerWaalsContact O-N 3.09Å
496L91Very high86.8Confident7 Ų774.8 Ų74.84%0.03738%0.383CS..Hα-helixtrans-70.6-44.4173.4-82.170.9000110.8L477 K478 A481 N488 G491 Q492 K493 Q494 A499 F500L477-L496 HydrophobicContact CD2-CB 3.6Å; L477-L496 HydrophobicContact CD2-CD2 4.26Å; L477-L496 HydrophobicContact CG-CB 3.94Å; L477-L496 HydrophobicContact CG-CD2 4.01Å; K478-L496 HydrophobicContact CG-CD2 4.11Å; A481-L496 HydrophobicContact CB-CD2 3.91Å; N488-L496 WeakPolarHBondContact O-CD1 3.37Å; G491-L496 WeakPolarHBondContact O-CD1 3.48Å; Q492-L496 WeakPolarHBondContact O-CD1 3.43Å; Q492-L496 PolarHBondContact O-N 3.28Å; K493-L496 PolarHBondContact O-N 3.21Å; K493-L496 VanDerWaalsContact O-N 3.13Å; Q494-L496 VanDerWaalsContact C-N 3.27Å; Q494-L496 PolarHBondContact O-N 3.04Å; L496-A499 PolarHBondContact O-N 2.87Å; L496-F500 WeakPolarHBondContact O-CD2 3.13Å; L496-F500 PolarHBondContact O-N 3.43Å
497V92.6Very high85.5Confident9 Ų984.8 Ų84.86%0.05542%0.419CS..Hα-helixtrans-57.5-51.1175.6178.20000110.8L469 L477 K493 Q494 A499 F500 L501L469-V497 HydrophobicContact CB-CG1 4.01Å; L469-V497 HydrophobicContact CB-CG2 4.1Å; L469-V497 HydrophobicContact CD1-CG1 4.28Å; L477-V497 HydrophobicContact CD2-CG2 3.96Å; K493-V497 HydrophobicContact CG-CG2 4.27Å; K493-V497 WeakPolarHBondContact O-CG2 3.49Å; K493-V497 PolarHBondContact O-N 3.38Å; Q494-V497 WeakPolarHBondContact O-CB 3.29Å; Q494-V497 PolarHBondContact O-N 3.06Å; Q494-V497 VanDerWaalsContact O-N 3.11Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.22Å; V497-F500 PolarHBondContact O-N 3.17Å; V497-F500 VanDerWaalsContact O-N 3.17Å; V497-L501 HydrophobicContact CG1-CD1 3.92Å; V497-L501 HydrophobicContact CG1-CG 4.38Å; V497-L501 WeakPolarHBondContact O-CG 3.41Å; V497-L501 PolarHBondContact O-N 3.28Å
498D92Very high84.6Confident81 Ų8180.8 Ų80.843%0.43340%0.397SS..Hα-helixtrans-60.4-39.5179.4-62.2-21.4000111.6Q494 L501 K502Q494-D498 PolarHBondContact NE2-OD1 3.33Å; Q494-D498 WeakPolarHBondContact O-CB 3.36Å; Q494-D498 PolarHBondContact O-N 3.41Å; D498-L501 PolarHBondContact O-N 3.4Å; D498-K502 VanDerWaalsContact O-CB 3.28Å; D498-K502 WeakPolarHBondContact O-CB 3.41Å; D498-K502 PolarHBondContact O-N 3.27Å
499A91.6Very high83.7Confident33 Ų3382.4 Ų82.427%0.27341%0.41SS..Hα-helixtrans-69.2-37.3176.800000112.6L486 Q495 L496 V497 K502 L503L486-A499 HydrophobicContact CD2-CB 3.53Å; Q495-A499 WeakPolarHBondContact O-CB 3.43Å; Q495-A499 PolarHBondContact O-N 3.09Å; Q495-A499 VanDerWaalsContact O-N 3.09Å; L496-A499 PolarHBondContact O-N 2.87Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.22Å; A499-K502 PolarHBondContact O-N 3.13Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 PolarHBondContact O-N 2.65Å
500F91.9Very high82.4Confident0 Ų084.9 Ų84.90%043%0.431CS..Hα-helixtrans-65.3-44.1171.1-83.6-64.1000112.4L469 L477 L480 A481 F484 L486 L496 V497 K502 L503 A504 I523L469-F500 HydrophobicContact CD1-CB 3.58Å; L469-F500 HydrophobicContact CD1-CG 4.32Å; L469-F500 HydrophobicContact CD2-CB 4.29Å; L469-F500 HydrophobicContact CD2-CD2 3.94Å; L469-F500 HydrophobicContact CD2-CG 4.15Å; L477-F500 HydrophobicContact CD1-CD2 3.81Å; L477-F500 HydrophobicContact CD1-CE2 3.6Å; L477-F500 HydrophobicContact CG-CE2 4.19Å; L480-F500 HydrophobicContact CB-CE2 4.37Å; L480-F500 HydrophobicContact CB-CZ 3.81Å; L480-F500 HydrophobicContact CD2-CE1 3.91Å; L480-F500 HydrophobicContact CD2-CE2 3.95Å; L480-F500 HydrophobicContact CD2-CZ 3.58Å; L480-F500 HydrophobicContact CG-CE1 3.86Å; L480-F500 HydrophobicContact CG-CE2 4.26Å; L480-F500 HydrophobicContact CG-CZ 3.49Å; L480-F500 VanDerWaalsContact CG-CZ 3.49Å; A481-F500 HydrophobicContact CB-CE2 4.3Å; A481-F500 HydrophobicContact CB-CZ 4.18Å; F484-F500 HydrophobicContact CB-CE1 4.09Å; F484-F500 AromaticContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CD2-CE1 3.85Å; F484-F500 HydrophobicContact CG-CE1 4.16Å; L486-F500 HydrophobicContact CD1-CD1 3.83Å; L486-F500 HydrophobicContact CD1-CD2 4.45Å; L486-F500 HydrophobicContact CD1-CE1 3.34Å; L486-F500 HydrophobicContact CD1-CE2 4.02Å; L486-F500 HydrophobicContact CD1-CG 4.35Å; L486-F500 HydrophobicContact CD1-CZ 3.44Å; L486-F500 VanDerWaalsContact CD1-CZ 3.44Å; L496-F500 WeakPolarHBondContact O-CD2 3.13Å; L496-F500 PolarHBondContact O-N 3.43Å; V497-F500 PolarHBondContact O-N 3.17Å; V497-F500 VanDerWaalsContact O-N 3.17Å; F500-K502 VanDerWaalsContact C-N 3.29Å; F500-K502 PolarHBondContact O-N 3.47Å; F500-L503 PolarHBondContact O-N 3.08Å; F500-A504 WeakPolarHBondContact O-CB 3.47Å; F500-A504 PolarHBondContact O-N 3.26Å; F500-I523 HydrophobicContact CD1-CD1 4.23Å; F500-I523 HydrophobicContact CD1-CG1 4.38Å; F500-I523 HydrophobicContact CD1-CG2 3.63Å; F500-I523 HydrophobicContact CE1-CG2 4.06Å; F500-I523 HydrophobicContact CG-CG2 4.36Å
501L91.6Very high81.2Confident37 Ų3782.8 Ų82.819%0.19442%0.424CS..Hα-helixtrans-65.4-33.9176.7-67.1174.1000111.7L465 L469 V497 D498 K505L465-L501 HydrophobicContact CB-CD2 4.33Å; L465-L501 HydrophobicContact CD2-CD2 4.23Å; L465-L501 HydrophobicContact CG-CD2 4.1Å; L469-L501 HydrophobicContact CD1-CD2 4.23Å; L469-L501 HydrophobicContact CD1-CG 4.29Å; V497-L501 HydrophobicContact CG1-CD1 3.92Å; V497-L501 HydrophobicContact CG1-CG 4.38Å; V497-L501 WeakPolarHBondContact O-CG 3.41Å; V497-L501 PolarHBondContact O-N 3.28Å; D498-L501 PolarHBondContact O-N 3.4Å; L501-K505 WeakPolarHBondContact O-CD 3.37Å; L501-K505 VanDerWaalsContact O-CG 3.27Å; L501-K505 WeakPolarHBondContact O-CG 3.29Å; L501-K505 PolarHBondContact O-N 3.29Å
502K91Very high79.7Confident151 Ų15194.7 Ų94.766%0.65746%0.463SS*.Hα-helixtrans-67.2-44.6171.4-174.1176.3-179.5179.10111.8D498 A499 F500 K505 Q506D498-K502 VanDerWaalsContact O-CB 3.28Å; D498-K502 WeakPolarHBondContact O-CB 3.41Å; D498-K502 PolarHBondContact O-N 3.27Å; A499-K502 PolarHBondContact O-N 3.13Å; F500-K502 VanDerWaalsContact C-N 3.29Å; F500-K502 PolarHBondContact O-N 3.47Å; K502-K505 PolarHBondContact O-N 3.13Å; K502-Q506 PolarHBondContact O-N 3.17Å
503L89.5Confident77.7Confident29 Ų2990.3 Ų90.315%0.15246%0.455CS..Hα-helixtrans-63.7-43.2177.1-178.361.3000111.7F484 A499 F500 K505 Q506 I519 I523F484-L503 HydrophobicContact CB-CD2 4.14Å; F484-L503 HydrophobicContact CD1-CD2 4.37Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 PolarHBondContact O-N 2.65Å; F500-L503 PolarHBondContact O-N 3.08Å; L503-K505 PolarHBondContact O-N 3.26Å; L503-Q506 WeakPolarHBondContact O-CB 3.45Å; L503-Q506 PolarHBondContact O-N 3.16Å; L503-Q506 VanDerWaalsContact O-N 3.07Å; L503-I519 HydrophobicContact CD1-CD1 3.79Å; L503-I519 HydrophobicContact CD2-CD1 4.26Å; L503-I519 HydrophobicContact CG-CD1 3.9Å; L503-I519 HydrophobicContact CG-CG1 4.49Å; L503-I519 WeakPolarHBondContact O-CG2 3.45Å; L503-I523 HydrophobicContact CB-CD1 4.33Å; L503-I523 HydrophobicContact CD2-CD1 3.94Å; L503-I523 HydrophobicContact CG-CD1 3.99Å
504A88.9Confident75.8Confident28 Ų2895.7 Ų95.723%0.23148%0.479CS..Hα-helixtrans-60.8-30.9176.300000113.3L465 F500 I523L465-A504 HydrophobicContact CD2-CB 3.4Å; F500-A504 WeakPolarHBondContact O-CB 3.47Å; F500-A504 PolarHBondContact O-N 3.26Å; A504-I523 HydrophobicContact CB-CD1 4.26Å
505K86.9Confident74Confident176 Ų17698.5 Ų98.577%0.76550%0.497SS*.THydrogen-bonded Turntrans-83.7-6.7176.5-70.4172.7-175.9-178.90113.9L501 K502 L503L501-K505 WeakPolarHBondContact O-CD 3.37Å; L501-K505 VanDerWaalsContact O-CG 3.27Å; L501-K505 WeakPolarHBondContact O-CG 3.29Å; L501-K505 PolarHBondContact O-N 3.29Å; K502-K505 PolarHBondContact O-N 3.13Å; L503-K505 PolarHBondContact O-N 3.26Å
506Q81.1Confident72.4Confident111 Ų111101.4 Ų101.452%0.51951%0.508SS..SBendtrans-74.9128.7175.1-73.7178.8-23.600110.8K502 L503 S508K502-Q506 PolarHBondContact O-N 3.17Å; L503-Q506 WeakPolarHBondContact O-CB 3.45Å; L503-Q506 PolarHBondContact O-N 3.16Å; L503-Q506 VanDerWaalsContact O-N 3.07Å; Q506-S508 PolarHBondContact O-N 3.46Å
507R60.7Low71.2Confident240 Ų240105.3 Ų105.391%0.90653%0.534SS*.PPolyproline II helixtrans-63.3116.6172.1-74.1-179.4169179.4-5.1109.1V509R507-V509 PolarHBondContact O-N 2.91Å
508S60.7Low70.6Confident54 Ų54106.8 Ų106.838%0.37855%0.551SS.*PPolyproline II helixtrans-62.3116.1176.348.60000111Q506 C510 T511Q506-S508 PolarHBondContact O-N 3.46Å; S508-C510 VanDerWaalsContact C-N 3.26Å; S508-C510 PolarHBondContact O-N 3.1Å; S508-T511 WeakPolarHBondContact OG-CG2 3.32Å
509V56.7Low70.3Confident142 Ų142105.5 Ų105.586%0.86154%0.544SS*.SBendtrans-71-17.1-170.8-179.30000113.4R507R507-V509 PolarHBondContact O-N 2.91Å
510C50.7Low70.1Confident110 Ų110104.7 Ų104.774%0.74354%0.538SS*.  trans-117.769.3-176.2-61.80000113S508S508-C510 VanDerWaalsContact C-N 3.26Å; S508-C510 PolarHBondContact O-N 3.1Å
511T52.1Low69.9Low95 Ų95107 Ų10758%0.58356%0.557SS**  trans-106.424.3170.451.50000113.5S508 G513S508-T511 WeakPolarHBondContact OG-CG2 3.32Å; T511-G513 VanDerWaalsContact C-N 3.33Å; T511-G513 PolarHBondContact O-N 3.29Å
512W45.3Very low69.9Low268 Ų268108 Ų108100%1.01557%0.565SS**  trans-76.184170.7-151.8-71.8000110.6
513G45.8Very low69.9Low47 Ų47100.9 Ų100.949%0.48553%0.534SS..SBendtrans122.595175.800000114.6T511T511-G513 VanDerWaalsContact C-N 3.33Å; T511-G513 PolarHBondContact O-N 3.29Å
514K49.2Very low70Confident189 Ų189101.1 Ų101.182%0.82254%0.535SS*.SBendtrans50.7118.5155.1-57.8-175.3-179-177.60118.6K516K514-K516 VanDerWaalsContact C-N 3.29Å; K514-K516 PolarHBondContact O-N 3.17Å
515N53.9Low70.2Confident163 Ų163107.8 Ų107.887%0.87256%0.559SS**  trans61.113145.5-53.314.1000118.6
516K57.2Low70.4Confident159 Ų159106.7 Ų106.769%0.69155%0.55SS**PPolyproline II helixtrans-74.8124.1172.7-66.7-178.7-1771760110.1K514K514-K516 VanDerWaalsContact C-N 3.29Å; K514-K516 PolarHBondContact O-N 3.17Å
517P66.4Low70.9Confident90 Ų90101.4 Ų101.458%0.58453%0.525SS*.PPolyproline II helixtrans-65.2145.6175.728.2-34.6000110.5A521 V522P517-A521 HydrophobicContact CB-CB 4.13Å; P517-V522 HydrophobicContact CG-CG2 4.27Å
518G79.6Confident72.4Confident40 Ų4093.1 Ų93.141%0.41250%0.496SS..PPolyproline II helixtrans-60.2154.5179.800000112.6G520 A521 V522G518-G520 PolarHBondContact O-N 3.5Å; G518-G520 VanDerWaalsContact O-N 3.1Å; G518-A521 WeakPolarHBondContact O-CB 3.28Å; G518-A521 PolarHBondContact O-N 3.03Å; G518-V522 PolarHBondContact O-N 3.26Å
519I86.7Confident73.8Confident54 Ų5494.1 Ų94.128%0.27751%0.507SS..Hα-helixtrans-54.6-35.9-172.7-170.4166.3000113.2L503 A521 V522 I523L503-I519 HydrophobicContact CD1-CD1 3.79Å; L503-I519 HydrophobicContact CD2-CD1 4.26Å; L503-I519 HydrophobicContact CG-CD1 3.9Å; L503-I519 HydrophobicContact CG-CG1 4.49Å; L503-I519 WeakPolarHBondContact O-CG2 3.45Å; I519-A521 VanDerWaalsContact C-N 3.34Å; I519-A521 PolarHBondContact O-N 2.94Å; I519-V522 PolarHBondContact O-N 3.18Å; I519-V522 VanDerWaalsContact O-N 3.12Å; I519-I523 HydrophobicContact CG1-CD1 4.14Å; I519-I523 HydrophobicContact CG1-CG1 4.41Å; I519-I523 VanDerWaalsContact O-CG1 3.32Å; I519-I523 WeakPolarHBondContact O-CG1 3.36Å; I519-I523 PolarHBondContact O-N 3.1Å
520G86.7Confident75.3Confident15 Ų1590.1 Ų90.116%0.15548%0.481CS..Hα-helixtrans-56.1-40.8172.900000114.3G518 I523 L524G518-G520 PolarHBondContact O-N 3.5Å; G518-G520 VanDerWaalsContact O-N 3.1Å; G520-I523 PolarHBondContact O-N 3.22Å; G520-L524 WeakPolarHBondContact O-CB 3.49Å; G520-L524 PolarHBondContact O-N 3.01Å
521A88.3Confident76.8Confident48 Ų4887.9 Ų87.940%0.39747%0.47SS..Hα-helixtrans-73.9-27.6177.100000112.7P517 G518 I519 K525P517-A521 HydrophobicContact CB-CB 4.13Å; G518-A521 WeakPolarHBondContact O-CB 3.28Å; G518-A521 PolarHBondContact O-N 3.03Å; I519-A521 VanDerWaalsContact C-N 3.34Å; I519-A521 PolarHBondContact O-N 2.94Å; A521-K525 WeakPolarHBondContact O-CB 3.19Å; A521-K525 PolarHBondContact O-N 3.14Å
522V90.6Very high78Confident60 Ų6087.6 Ų87.636%0.36447%0.465SS..Hα-helixtrans-70.9-41.3171-174.10000110.6F484 P517 G518 I519 R526F484-V522 HydrophobicContact CE1-CG1 4.3Å; F484-V522 HydrophobicContact CZ-CG1 4.16Å; P517-V522 HydrophobicContact CG-CG2 4.27Å; G518-V522 PolarHBondContact O-N 3.26Å; I519-V522 PolarHBondContact O-N 3.18Å; I519-V522 VanDerWaalsContact O-N 3.12Å; V522-R526 WeakPolarHBondContact O-CB 3.21Å; V522-R526 WeakPolarHBondContact O-CG 3.28Å; V522-R526 PolarHBondContact O-N 3.4Å; V522-R526 VanDerWaalsContact O-N 3.07Å
523I91.3Very high79.7Confident0 Ų078.1 Ų78.10%044%0.436CS..Hα-helixtrans-61.6-48.9172.1-61159.5000109.5L465 L480 F484 F500 L503 A504 I519 G520 K525 R526 A527L465-I523 HydrophobicContact CD1-CB 4.43Å; L465-I523 HydrophobicContact CD1-CG2 3.86Å; L465-I523 HydrophobicContact CD2-CG2 4.37Å; L480-I523 HydrophobicContact CD2-CG2 4.35Å; F484-I523 HydrophobicContact CD1-CG1 3.9Å; F484-I523 HydrophobicContact CD2-CG1 4.35Å; F484-I523 HydrophobicContact CE1-CG1 3.51Å; F484-I523 HydrophobicContact CE2-CB 4.39Å; F484-I523 HydrophobicContact CE2-CG1 4Å; F484-I523 HydrophobicContact CG-CG1 4.31Å; F484-I523 HydrophobicContact CZ-CB 4.12Å; F484-I523 HydrophobicContact CZ-CG1 3.56Å; F500-I523 HydrophobicContact CD1-CD1 4.23Å; F500-I523 HydrophobicContact CD1-CG1 4.38Å; F500-I523 HydrophobicContact CD1-CG2 3.63Å; F500-I523 HydrophobicContact CE1-CG2 4.06Å; F500-I523 HydrophobicContact CG-CG2 4.36Å; L503-I523 HydrophobicContact CB-CD1 4.33Å; L503-I523 HydrophobicContact CD2-CD1 3.94Å; L503-I523 HydrophobicContact CG-CD1 3.99Å; A504-I523 HydrophobicContact CB-CD1 4.26Å; I519-I523 HydrophobicContact CG1-CD1 4.14Å; I519-I523 HydrophobicContact CG1-CG1 4.41Å; I519-I523 VanDerWaalsContact O-CG1 3.32Å; I519-I523 WeakPolarHBondContact O-CG1 3.36Å; I519-I523 PolarHBondContact O-N 3.1Å; G520-I523 PolarHBondContact O-N 3.22Å; I523-K525 PolarHBondContact O-N 3.14Å; I523-R526 CarbonylContact O-C 3.59Å; I523-R526 PolarHBondContact O-N 3.2Å; I523-R526 VanDerWaalsContact O-N 3.14Å; I523-A527 VanDerWaalsContact O-CB 3.31Å; I523-A527 WeakPolarHBondContact O-CB 3.32Å; I523-A527 PolarHBondContact O-N 3.15Å
524L91.8Very high81.6Confident34 Ų3479.8 Ų79.818%0.17843%0.433CS..Hα-helixtrans-54.8-51.7177.7-174.274.8000111.6Q463 L465 V468 G520 R526 A527 K528Q463-L524 WeakPolarHBondContact O-CD1 3.49Å; Q463-L524 WeakPolarHBondContact O-CD2 3.48Å; L465-L524 HydrophobicContact CB-CD1 4.25Å; L465-L524 HydrophobicContact CD1-CB 4.22Å; L465-L524 HydrophobicContact CD1-CD1 4.12Å; V468-L524 HydrophobicContact CG2-CD1 3.61Å; G520-L524 WeakPolarHBondContact O-CB 3.49Å; G520-L524 PolarHBondContact O-N 3.01Å; L524-R526 VanDerWaalsContact C-N 3.28Å; L524-R526 PolarHBondContact O-N 3.49Å; L524-A527 PolarHBondContact O-N 2.85Å; L524-K528 HydrophobicContact CD1-CD 4.29Å; L524-K528 HydrophobicContact CG-CD 4.08Å; L524-K528 WeakPolarHBondContact O-CG 3.33Å; L524-K528 PolarHBondContact O-N 3.22Å
525K92.1Very high83.5Confident169 Ų16973.4 Ų73.474%0.73541%0.41SS*.Hα-helixtrans-63-32.6179.1-174.2169.1-176.5171.10112.9A521 I523A521-K525 WeakPolarHBondContact O-CB 3.19Å; A521-K525 PolarHBondContact O-N 3.14Å; I523-K525 PolarHBondContact O-N 3.14Å
526R91.9Very high85.4Confident153 Ų15367.8 Ų67.858%0.57738%0.381SS*.Hα-helixtrans-77.3-35.4175-71.7-64.8-170.1-177.92.4112.7L480 F484 V522 I523 L524 A529L480-R526 HydrophobicContact CD1-CB 3.65Å; F484-R526 HydrophobicContact CE2-CB 4.05Å; F484-R526 HydrophobicContact CE2-CG 4.23Å; F484-R526 HydrophobicContact CZ-CB 4.34Å; F484-R526 HydrophobicContact CZ-CG 4.17Å; V522-R526 WeakPolarHBondContact O-CB 3.21Å; V522-R526 WeakPolarHBondContact O-CG 3.28Å; V522-R526 PolarHBondContact O-N 3.4Å; V522-R526 VanDerWaalsContact O-N 3.07Å; I523-R526 CarbonylContact O-C 3.59Å; I523-R526 PolarHBondContact O-N 3.2Å; I523-R526 VanDerWaalsContact O-N 3.14Å; L524-R526 VanDerWaalsContact C-N 3.28Å; L524-R526 PolarHBondContact O-N 3.49Å; R526-A529 PolarHBondContact O-N 3Å
527A92Very high87.3Confident0 Ų061.7 Ų61.70%036%0.361CS..Hα-helixtrans-70.1-43.1177.100000111.4V468 L469 L472 L480 I523 L524 A529 L530 A531V468-A527 HydrophobicContact CB-CB 4.27Å; V468-A527 HydrophobicContact CG1-CB 3.49Å; V468-A527 VanDerWaalsContact CG1-CB 3.49Å; L469-A527 HydrophobicContact CD2-CB 4.5Å; L472-A527 HydrophobicContact CD1-CB 4.18Å; L480-A527 HydrophobicContact CD2-CB 3.9Å; I523-A527 VanDerWaalsContact O-CB 3.31Å; I523-A527 WeakPolarHBondContact O-CB 3.32Å; I523-A527 PolarHBondContact O-N 3.15Å; L524-A527 PolarHBondContact O-N 2.85Å; A527-A529 PolarHBondContact O-N 3.29Å; A527-L530 PolarHBondContact O-N 3.47Å; A527-A531 PolarHBondContact O-N 2.75Å; A527-A531 VanDerWaalsContact O-N 3.07Å
528K91.9Very high88.7Confident65 Ų6559.6 Ų59.628%0.28335%0.345SS..THydrogen-bonded Turntrans-64.7-16.6174-67.1-18070.9168.80113.7E459 L462 V468 L524E459-K528 WeakPolarHBondContact O-CE 3.5Å; E459-K528 PolarHBondContact O-NZ 3.15Å; L462-K528 WeakPolarHBondContact O-CD 3.48Å; L462-K528 WeakPolarHBondContact O-CE 3.27Å; L462-K528 PolarHBondContact O-NZ 2.88Å; V468-K528 HydrophobicContact CG1-CG 3.93Å; V468-K528 HydrophobicContact CG2-CD 4.34Å; V468-K528 HydrophobicContact CG2-CG 3.78Å; L524-K528 HydrophobicContact CD1-CD 4.29Å; L524-K528 HydrophobicContact CG-CD 4.08Å; L524-K528 WeakPolarHBondContact O-CG 3.33Å; L524-K528 PolarHBondContact O-N 3.22Å
529A90.8Very high89.4Confident75 Ų7561.2 Ų61.262%0.6234%0.34SS*.THydrogen-bonded Turntrans-92.14172.200000113.8R526 A527R526-A529 PolarHBondContact O-N 3Å; A527-A529 PolarHBondContact O-N 3.29Å
530L87.8Confident89.7Confident59 Ų5961.8 Ų61.831%0.30935%0.345SS..THydrogen-bonded Turntrans-121.3-5.8171.3-63.6176.4000112.2K430 L472 E476 L480 A527K430-L530 PolarHBondContact NZ-O 3.03Å; L472-L530 HydrophobicContact CD2-CB 3.8Å; L472-L530 WeakPolarHBondContact CD2-O 3.34Å; E476-L530 HydrophobicContact CB-CB 4.42Å; E476-L530 HydrophobicContact CG-CB 4.5Å; L480-L530 HydrophobicContact CB-CD1 4.01Å; L480-L530 HydrophobicContact CD1-CD1 4.04Å; A527-L530 PolarHBondContact O-N 3.47Å
531A81.1Confident89.9Confident63 Ų6366 Ų6652%0.52136%0.362SS..  trans-73.80173.600000109.5K430 L471 L472 A527K430-A531 WeakPolarHBondContact CD-O 3.44Å; K430-A531 WeakPolarHBondContact CE-O 3.44Å; K430-A531 WeakPolarHBondContact CG-O 3.43Å; K430-A531 PolarHBondContact NZ-O 3.35Å; L471-A531 HydrophobicContact CD2-CB 3.79Å; L471-A531 HydrophobicContact CG-CB 4.43Å; L472-A531 HydrophobicContact CD2-CB 4.37Å; A527-A531 PolarHBondContact O-N 2.75Å; A527-A531 VanDerWaalsContact O-N 3.07Å

Retrieved 531 of 531 residues in 200.1 ms (Link to these results)