A0A096M760_POEFO Loading...

Protein phosphatase 1 regulatory subunit 15B-like

AlphaFold DB , UniProt , Accession A0A096M760, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 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
1M38.5Very low37Very low243 Ų243184.5 Ų184.5100%1.19788%0.88SS**  01040-71.1179.8-166.100107
2F34.1Very low36.4Very low207 Ų207178.5 Ų178.591%0.90887%0.872SS**  trans-68.8140.4-177.1-73.8-94000111
3R44.8Very low36.1Very low233 Ų233177.1 Ų177.188%0.87987%0.871SS**  trans-128106.3159.2-94.9-174.1170.5-178.6-3109.3
4N34.5Very low35.7Very low131 Ų131170.3 Ų170.370%0.70187%0.869SS**  trans-64.2149.1160.9-69.8-32.6000110.4
5F42.3Very low35.5Very low187 Ų187171.1 Ų171.182%0.8287%0.868SS**  trans-138.8111.7148.2-94.5-81.6000109.3
6Y35.3Very low35.1Very low213 Ų213168.4 Ų168.484%0.83587%0.869SS**  trans-89.9139.9154.7-86.4-92.5000107.5
7T40.5Very low35Very low135 Ų135164.1 Ų164.183%0.82887%0.865SS**  trans-149.7133.1148.143.60000111.1
8E36.2Very low35.3Very low202 Ų202161.8 Ų161.894%0.94486%0.861SS**  trans-67.6164.4177.7-59.8162.7125.600113.9
9G34.4Very low35Very low80 Ų80159.8 Ų159.883%0.82586%0.861SS**  trans175.495161.500000114.2
10R33.7Very low34.7Very low238 Ų238157.1 Ų157.190%0.89886%0.855SS**  trans-76.8173.2173.1-89.6-173.2174-110.62.8113.5
11L32.3Very low34.5Very low161 Ų161155.4 Ų155.484%0.84385%0.849SS**  trans100.3131.6159.3-52.9177.2000113.3
12S30.8Very low34.5Very low112 Ų112149.7 Ų149.778%0.78383%0.831SS**  cis-161.415827.8-99.90000113.2
13D31.4Very low34.4Very low160 Ų160149.1 Ų149.186%0.85683%0.828SS**  trans-53.1153.8170.2-72.7-61.1000116.7
14G31.6Very low33.6Very low82 Ų82141.8 Ų141.885%0.84583%0.825SS**  trans-157.490.3161.600000111.8
15Q32Very low33.9Very low182 Ų182142.4 Ų142.485%0.8583%0.833SS**  trans-70.1143.4171.2-77.7170.6-10.800112.2
16S29.4Very low33.3Very low128 Ų128138 Ų13890%0.89583%0.832SS**  trans-163.1134.7140-75.60000110.4
17A33.1Very low33.2Very low96 Ų96133.8 Ų133.879%0.79383%0.833SS**  trans-101.9-161.7-173.900000111.4
18P41.5Very low32.8Very low122 Ų122133.6 Ų133.679%0.79283%0.832SS**  -115.1168.9-111.731.8-11.9000113.6
19S28.6Very low32.5Very low125 Ų125127.1 Ų127.187%0.87482%0.819SS**  trans-136.3138.9161.7690000112.8
20S29Very low32.3Very low104 Ų104132.5 Ų132.573%0.72782%0.82SS**  trans-97.1142-161.2-610000114.3
21V31.1Very low32.3Very low122 Ų122129.2 Ų129.274%0.73982%0.82SS**  trans48.8157.3147.6-99.50000120.3F23V21-F23 HydrophobicContact CG1-CD2 4.47Å
22P37.5Very low32.8Very low124 Ų124126.5 Ų126.581%0.80582%0.815SS**  cis-140168.630.233.9-9.6000119
23F32.8Very low33.3Very low194 Ų194130 Ų13085%0.85182%0.818SS**  trans-48.1143.6172.2-83.5-104.7000116.3V21V21-F23 HydrophobicContact CG1-CD2 4.47Å
24G28.5Very low33.7Very low79 Ų79128.2 Ų128.281%0.81481%0.805SS**  trans-152.5120.416000000110.4
25V39.4Very low34.3Very low144 Ų144128.3 Ų128.387%0.87379%0.793SS**  trans-94.5128.9-179.1-172.80000108.3
26A29.6Very low35.4Very low96 Ų96125.2 Ų125.279%0.79379%0.791SS**  trans-148.7135.7166.400000111.5
27S33.8Very low36.9Very low124 Ų124128.2 Ų128.287%0.86778%0.783SS**PPolyproline II helixtrans-66.4141.7-174.3-55.60000113.9
28V32.5Very low38Very low131 Ų131127.2 Ų127.279%0.79476%0.764SS**PPolyproline II helixtrans-79.7117.3171.3173.90000109.6
29G30.5Very low38.8Very low65 Ų65125.3 Ų125.367%0.6777%0.766SS**PPolyproline II helixtrans-86133163.600000109.9D31G29-D31 PolarHBondContact O-N 3.27Å
30F30.4Very low40.6Very low193 Ų193125.7 Ų125.785%0.84676%0.757SS**  trans-79.399.7172.7-93.2-91.3000109.6
31D31.7Very low42.1Very low169 Ų169124 Ų12490%0.90474%0.74SS**  trans-86.1114.6163-88.7-45000109.3G29G29-D31 PolarHBondContact O-N 3.27Å
32S43.8Very low43.5Very low105 Ų105121.8 Ų121.873%0.73473%0.73SS**  trans-86.5113.4176.4-67.70000109.9E34S32-E34 PolarHBondContact O-N 3.05Å
33Q42.1Very low44.5Very low184 Ų184126.7 Ų126.786%0.8673%0.732SS**  trans-75.485.5172.1-165.4177.118.300109.7S35Q33-S35 PolarHBondContact O-N 3.3Å; Q33-S35 VanDerWaalsContact O-N 3.09Å
34E38.9Very low46.2Very low124 Ų124122 Ų12258%0.57972%0.721SS**  trans-69.4104.4175.258.2-173.8156.900110.9S32 S36 R53S32-E34 PolarHBondContact O-N 3.05Å; E34-S36 PolarHBondContact O-N 3.08Å; E34-R53 IonicContact OE2-CZ 3.05Å; E34-R53 IonicContact OE2-NH1 2.7Å; E34-R53 PolarHBondContact OE2-NH1 2.98Å; E34-R53 IonicContact OE2-NH2 3.39Å; E34-R53 PolarHBondContact OE2-NH2 3.38Å
35S44.2Very low47.8Very low84 Ų84120 Ų12059%0.58770%0.697SS**  trans-79116.7-178.8-65.60000112Q33 W37Q33-S35 PolarHBondContact O-N 3.3Å; Q33-S35 VanDerWaalsContact O-N 3.09Å; S35-W37 VanDerWaalsContact C-N 3.32Å; S35-W37 PolarHBondContact O-N 2.94Å
36S55.9Low49.1Very low117 Ų117114.6 Ų114.682%0.81866%0.663SS**SBendtrans2837.4133.3-140.10000121.9E34E34-S36 PolarHBondContact O-N 3.08Å
37W60Low50.7Low190 Ų190113.6 Ų113.672%0.7265%0.65SS**  trans-114.8-10.7164.4-67.386.9000113.2S35 G39 L40S35-W37 VanDerWaalsContact C-N 3.32Å; S35-W37 PolarHBondContact O-N 2.94Å; W37-G39 PolarHBondContact O-N 2.93Å; W37-L40 HydrophobicContact CD2-CD1 4.45Å; W37-L40 HydrophobicContact CE3-CD1 3.46Å; W37-L40 VanDerWaalsContact CE3-CD1 3.46Å; W37-L40 HydrophobicContact CZ3-CD1 3.69Å; W37-L40 PolarHBondContact O-N 2.86Å
38I56.4Low52.3Low76 Ų76113.4 Ų113.439%0.3964%0.639SS.*G310 helixtrans-62.3-22.8178.5-80153.9000112.3L40 L46I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 2.92Å; I38-L46 HydrophobicContact CB-CD2 4.46Å; I38-L46 HydrophobicContact CG2-CD2 3.84Å
39G58.4Low54.1Low81 Ų81110.9 Ų110.984%0.83562%0.62SS**G310 helixtrans-74.2-14.2174.300000115.3W37W37-G39 PolarHBondContact O-N 2.93Å
40L65.1Low56Low133 Ų133116.3 Ų116.370%0.69662%0.62SS**G310 helixtrans-98-7.1-179.4-70.8165.9000113.2W37 I38W37-L40 HydrophobicContact CD2-CD1 4.45Å; W37-L40 HydrophobicContact CE3-CD1 3.46Å; W37-L40 VanDerWaalsContact CE3-CD1 3.46Å; W37-L40 HydrophobicContact CZ3-CD1 3.69Å; W37-L40 PolarHBondContact O-N 2.86Å; I38-L40 VanDerWaalsContact C-N 3.32Å; I38-L40 PolarHBondContact O-N 2.92Å
41L61.5Low57.7Low70 Ų70114.3 Ų114.337%0.36661%0.612SS.*SBendtrans-82.6127.7178.3-66.5175.3000109.3A45 L46 L49L41-A45 HydrophobicContact CB-CB 4.2Å; L41-A45 HydrophobicContact CD2-CB 4.22Å; L41-L46 HydrophobicContact CB-CD1 4.36Å; L41-L46 HydrophobicContact CB-CD2 3.81Å; L41-L46 HydrophobicContact CB-CG 3.63Å; L41-L46 HydrophobicContact CD1-CD2 3.7Å; L41-L46 HydrophobicContact CD1-CG 4.37Å; L41-L46 HydrophobicContact CG-CD2 4.38Å; L41-L49 HydrophobicContact CD1-CD2 3.82Å
42S61Low59.2Low75 Ų75110.2 Ų110.252%0.52459%0.592SS.*  trans-57.6151.617162.80000110.3P44 A45 L46S42-P44 VanDerWaalsContact O-N 3.12Å; S42-A45 WeakPolarHBondContact O-CA 3.44Å; S42-A45 WeakPolarHBondContact O-CB 3Å; S42-A45 PolarHBondContact O-N 2.94Å; S42-L46 PolarHBondContact O-N 3.08Å
43R58.2Low59.8Low227 Ų227112.5 Ų112.586%0.85759%0.585SS**Hα-helixtrans-48.8-38.6179.4-73.3-170.7167.1-157.1-3.5113.8S47R43-S47 PolarHBondContact O-N 2.74Å; R43-S47 VanDerWaalsContact O-N 3.15Å
44P67.9Low60.3Low95 Ų95114 Ų11462%0.61758%0.583SS**Hα-helixtrans-64.7-41.1173.7-21.833.5000113.6S42 S47 L48S42-P44 VanDerWaalsContact O-N 3.12Å; P44-S47 WeakPolarHBondContact O-CB 3.36Å; P44-S47 PolarHBondContact O-N 3.1Å; P44-L48 PolarHBondContact O-N 3.17Å; P44-L48 VanDerWaalsContact O-N 3.09Å
45A62.2Low60.9Low36 Ų36115.9 Ų115.930%0.29858%0.584SS.*Hα-helixtrans-67.9-35.6179.900000112.1L41 S42 L48 L49L41-A45 HydrophobicContact CB-CB 4.2Å; L41-A45 HydrophobicContact CD2-CB 4.22Å; S42-A45 WeakPolarHBondContact O-CA 3.44Å; S42-A45 WeakPolarHBondContact O-CB 3Å; S42-A45 PolarHBondContact O-N 2.94Å; A45-L48 PolarHBondContact O-N 2.98Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 PolarHBondContact O-N 2.88Å
46L66.6Low60.9Low32 Ų32117.2 Ų117.217%0.16859%0.594CS.*Hα-helixtrans-67.7-37.4172.9-76.2172.1000112.9I38 L41 S42 L48 L49 R50I38-L46 HydrophobicContact CB-CD2 4.46Å; I38-L46 HydrophobicContact CG2-CD2 3.84Å; L41-L46 HydrophobicContact CB-CD1 4.36Å; L41-L46 HydrophobicContact CB-CD2 3.81Å; L41-L46 HydrophobicContact CB-CG 3.63Å; L41-L46 HydrophobicContact CD1-CD2 3.7Å; L41-L46 HydrophobicContact CD1-CG 4.37Å; L41-L46 HydrophobicContact CG-CD2 4.38Å; S42-L46 PolarHBondContact O-N 3.08Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 3.27Å; L46-R50 WeakPolarHBondContact O-CB 3.42Å; L46-R50 VanDerWaalsContact O-CG 3.27Å; L46-R50 WeakPolarHBondContact O-CG 3.39Å; L46-R50 PolarHBondContact O-N 3.46Å
47S64Low60.3Low74 Ų74115.7 Ų115.752%0.51759%0.588SS.*Hα-helixtrans-61.8-44.6174.4-178.80000111.1R43 P44 R50 K51R43-S47 PolarHBondContact O-N 2.74Å; R43-S47 VanDerWaalsContact O-N 3.15Å; P44-S47 WeakPolarHBondContact O-CB 3.36Å; P44-S47 PolarHBondContact O-N 3.1Å; S47-R50 PolarHBondContact O-N 3.44Å; S47-K51 WeakPolarHBondContact O-CB 3.31Å; S47-K51 PolarHBondContact O-N 3.3Å
48L67.3Low59.6Low120 Ų120110.2 Ų110.263%0.62858%0.584SS**Hα-helixtrans-64.3-45.2177.2-135.9159.8000111.3P44 A45 L46 R50 K51 V52P44-L48 PolarHBondContact O-N 3.17Å; P44-L48 VanDerWaalsContact O-N 3.09Å; A45-L48 PolarHBondContact O-N 2.98Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.72Å; L48-K51 PolarHBondContact O-N 2.87Å; L48-V52 HydrophobicContact CD2-CG2 4.04Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.89Å
49L70.5Confident59Low78 Ų78112 Ų11241%0.40860%0.6SS.*Hα-helixtrans-63.4-40.2177.5-166.973.7000112.4L41 A45 L46 V52 R53L41-L49 HydrophobicContact CD1-CD2 3.82Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 3.27Å; L49-V52 PolarHBondContact O-N 3.34Å; L49-R53 PolarHBondContact O-N 2.93Å
50R69.8Low58.4Low179 Ų179112.8 Ų112.868%0.67560%0.599SS**Hα-helixtrans-66.1-38174.8-75.6175.5-179.1171.30.1111.9L46 S47 L48 R53 R54L46-R50 WeakPolarHBondContact O-CB 3.42Å; L46-R50 VanDerWaalsContact O-CG 3.27Å; L46-R50 WeakPolarHBondContact O-CG 3.39Å; L46-R50 PolarHBondContact O-N 3.46Å; S47-R50 PolarHBondContact O-N 3.44Å; L48-R50 PolarHBondContact O-N 2.72Å; R50-R53 PolarHBondContact O-N 3.44Å; R50-R54 PolarHBondContact O-N 3.2Å
51K66.3Low57.4Low152 Ų152113.7 Ų113.766%0.66160%0.604SS**Hα-helixtrans-68.6-36.3176.8-160.7160.1-177.41750111.7S47 L48 W55S47-K51 WeakPolarHBondContact O-CB 3.31Å; S47-K51 PolarHBondContact O-N 3.3Å; L48-K51 PolarHBondContact O-N 2.87Å; K51-W55 PolarHBondContact O-N 2.99Å
52V63.4Low56.6Low82 Ų82117.1 Ų117.150%0.49762%0.622SS.*Hα-helixtrans-72-39.3173174.30000112L48 L49 R54 W55L48-V52 HydrophobicContact CD2-CG2 4.04Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.89Å; L49-V52 PolarHBondContact O-N 3.34Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 PolarHBondContact O-N 3.44Å; V52-W55 WeakPolarHBondContact O-CB 3.29Å; V52-W55 PolarHBondContact O-N 2.98Å
53R55.9Low55.8Low154 Ų154117.6 Ų117.658%0.58163%0.626SS**Hα-helixtrans-63-37174.3-109.4-175.2-177.6177.41.8112.1E34 L49 R50 W55 S56E34-R53 IonicContact OE2-CZ 3.05Å; E34-R53 IonicContact OE2-NH1 2.7Å; E34-R53 PolarHBondContact OE2-NH1 2.98Å; E34-R53 IonicContact OE2-NH2 3.39Å; E34-R53 PolarHBondContact OE2-NH2 3.38Å; L49-R53 PolarHBondContact O-N 2.93Å; R50-R53 PolarHBondContact O-N 3.44Å; R53-W55 PolarHBondContact O-N 3.39Å; R53-S56 PolarHBondContact O-N 3.16Å; R53-S56 VanDerWaalsContact O-N 3.17Å
54R53.9Low55.2Low215 Ų215114.1 Ų114.181%0.81162%0.624SS**Hα-helixtrans-62.3-24.9172.5-92.2-174.2-178.9163.61.6113.4R50 V52 S56R50-R54 PolarHBondContact O-N 3.2Å; V52-R54 VanDerWaalsContact C-N 3.33Å; V52-R54 PolarHBondContact O-N 3.44Å; R54-S56 VanDerWaalsContact C-N 3.3Å
55W49.6Very low54.1Low163 Ų163112.6 Ų112.662%0.61762%0.616SS**Hα-helixtrans-70.9-26.4176.6-156.5-75.3000112.8K51 V52 R53 F66K51-W55 PolarHBondContact O-N 2.99Å; V52-W55 WeakPolarHBondContact O-CB 3.29Å; V52-W55 PolarHBondContact O-N 2.98Å; R53-W55 PolarHBondContact O-N 3.39Å; W55-F66 AromaticContact CE2-CE2 3.57Å; W55-F66 AromaticContact CH2-CE2 3.92Å; W55-F66 HydrophobicContact CH2-CE2 3.92Å; W55-F66 HydrophobicContact CH2-CZ 4.28Å; W55-F66 HydrophobicContact CZ2-CD2 4.23Å; W55-F66 AromaticContact CZ2-CE2 3.13Å; W55-F66 HydrophobicContact CZ2-CE2 3.13Å; W55-F66 AromaticContact CZ2-CZ 3.36Å; W55-F66 HydrophobicContact CZ2-CZ 3.36Å; W55-F66 AromaticContact NE1-CE2 3.77Å
56S45.1Very low53.1Low112 Ų112115.6 Ų115.678%0.78362%0.622SS**THydrogen-bonded Turntrans-92.6-1.8-171.4-151.40000114.3R53 R54R53-S56 PolarHBondContact O-N 3.16Å; R53-S56 VanDerWaalsContact O-N 3.17Å; R54-S56 VanDerWaalsContact C-N 3.3Å
57A43.9Very low52.4Low85 Ų85118.5 Ų118.570%0.70264%0.637SS**THydrogen-bonded Turntrans-117.610.7-174.300000114.5
58A43.9Very low51.8Low75 Ų75117.2 Ų117.262%0.6264%0.636SS**  trans-92131.617900000111.7
59P44.7Very low51.2Low114 Ų114116.7 Ų116.774%0.7463%0.63SS**  trans-69.5151.7175.628.7-31.8000111.4D61P59-D61 PolarHBondContact O-N 3.47Å
60A45.1Very low50.7Low97 Ų97116.8 Ų116.880%0.80263%0.628SS**SBendtrans-65.414.5-161.900000118.4
61D45.6Very low50.2Low152 Ų152115.4 Ų115.481%0.81362%0.623SS**  trans-106.620.6-168.1-74.6-27.6000115.9P59P59-D61 PolarHBondContact O-N 3.47Å
62L43.9Very low50Low142 Ų142112.1 Ų112.174%0.74361%0.61SS**  trans-128.145.4178.2-68.1170.6000113.4N64L62-N64 PolarHBondContact O-N 3.19Å
63S44Very low50Low86 Ų86111.9 Ų111.960%0.60161%0.605SS**THydrogen-bonded Turntrans-69-10.1-179.766.20000115.1
64N45Very low50.3Low153 Ų153107 Ų10782%0.81859%0.59SS**THydrogen-bonded Turntrans-103.4-8.8-175-69.2-6.4000114.7L62L62-N64 PolarHBondContact O-N 3.19Å
65S44.6Very low50.8Low64 Ų64102.2 Ų102.245%0.44857%0.572SS.*THydrogen-bonded Turntrans-87.6-26.4170.6-164.30000112.3I67 G68 E69S65-I67 VanDerWaalsContact C-N 3.32Å; S65-I67 PolarHBondContact O-N 3.01Å; S65-G68 PolarHBondContact O-N 3.39Å; S65-G68 VanDerWaalsContact O-N 3.11Å; S65-E69 PolarHBondContact OG-OE1 3.49Å
66F41.1Very low51.2Low98 Ų9899.4 Ų99.443%0.4357%0.566SS.*Hα-helixtrans-58.8-34.4-171.4-168-102.4000114.8W55 E70W55-F66 AromaticContact CE2-CE2 3.57Å; W55-F66 AromaticContact CH2-CE2 3.92Å; W55-F66 HydrophobicContact CH2-CE2 3.92Å; W55-F66 HydrophobicContact CH2-CZ 4.28Å; W55-F66 HydrophobicContact CZ2-CD2 4.23Å; W55-F66 AromaticContact CZ2-CE2 3.13Å; W55-F66 HydrophobicContact CZ2-CE2 3.13Å; W55-F66 AromaticContact CZ2-CZ 3.36Å; W55-F66 HydrophobicContact CZ2-CZ 3.36Å; W55-F66 AromaticContact NE1-CE2 3.77Å; F66-E70 PolarHBondContact O-N 3.29Å
67I53.8Low51.6Low94 Ų9498.5 Ų98.548%0.48255%0.552SS.*Hα-helixtrans-77-22.4-178.1-69.6151.8000112.2S65 R71S65-I67 VanDerWaalsContact C-N 3.32Å; S65-I67 PolarHBondContact O-N 3.01Å; I67-R71 VanDerWaalsContact O-CG 3.3Å; I67-R71 WeakPolarHBondContact O-CG 3.44Å
68G50.4Low51.9Low47 Ų4797.3 Ų97.349%0.48553%0.534SS..Hα-helixtrans-75.5-40.1176.800000112.4S65 R71 E72S65-G68 PolarHBondContact O-N 3.39Å; S65-G68 VanDerWaalsContact O-N 3.11Å; G68-R71 PolarHBondContact O-N 3.09Å; G68-E72 PolarHBondContact O-N 3.01Å
69E55.6Low52.3Low109 Ų109100 Ų10051%0.50953%0.534SS..Hα-helixtrans-75.9-36-176.8-65.7164.5-144.500111.7S65 R71 E72 I73S65-E69 PolarHBondContact OG-OE1 3.49Å; E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 3.15Å; E69-E72 PolarHBondContact O-N 3.26Å; E69-I73 WeakPolarHBondContact O-CD1 3.39Å; E69-I73 VanDerWaalsContact O-CG1 3.29Å; E69-I73 WeakPolarHBondContact O-CG1 3.38Å; E69-I73 PolarHBondContact O-N 3.17Å; E69-I73 VanDerWaalsContact O-N 3.11Å
70E59.6Low52.8Low79 Ų79100.9 Ų100.937%0.36953%0.53SS..Hα-helixtrans-62.9-37.6172.8-169.8-177.6-175.400112F66 I73 L74F66-E70 PolarHBondContact O-N 3.29Å; E70-I73 PolarHBondContact O-N 3.47Å; E70-L74 HydrophobicContact CG-CD1 4.21Å; E70-L74 WeakPolarHBondContact O-CB 3.42Å; E70-L74 WeakPolarHBondContact O-CG 3.3Å; E70-L74 PolarHBondContact O-N 3.43Å
71R57.7Low52.9Low151 Ų151101 Ų10157%0.5752%0.516SS*.Hα-helixtrans-66.9-37.6176.8-76.9177.9177.5-165.5-1.9112.5I67 G68 E69 R75I67-R71 VanDerWaalsContact O-CG 3.3Å; I67-R71 WeakPolarHBondContact O-CG 3.44Å; G68-R71 PolarHBondContact O-N 3.09Å; E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 3.15Å; R71-R75 VanDerWaalsContact O-CB 3.26Å; R71-R75 WeakPolarHBondContact O-CB 3.41Å; R71-R75 PolarHBondContact O-N 2.87Å
72E63.6Low52.6Low82 Ų8296.9 Ų96.938%0.38350%0.498SS..Hα-helixtrans-71.3-36178.2-171.558.5-161.800111.7G68 E69 R75 Q76G68-E72 PolarHBondContact O-N 3.01Å; E69-E72 PolarHBondContact O-N 3.26Å; E72-R75 WeakPolarHBondContact O-CB 3.26Å; E72-R75 PolarHBondContact O-N 3.03Å; E72-R75 IonicContact OE1-CZ 3.78Å; E72-R75 IonicContact OE1-NE 3.27Å; E72-R75 PolarHBondContact OE1-NE 3.06Å; E72-R75 IonicContact OE1-NH2 3.77Å; E72-R75 PolarHBondContact OE1-NH2 2.97Å; E72-R75 IonicContact OE2-CZ 2.88Å; E72-R75 IonicContact OE2-NE 2.93Å; E72-R75 PolarHBondContact OE2-NE 3.31Å; E72-R75 IonicContact OE2-NH2 2.94Å; E72-Q76 PolarHBondContact O-N 2.87Å
73I63.8Low52.7Low77 Ų7797.2 Ų97.240%0.39550%0.495SS..Hα-helixtrans-70.1-41.3175.3-64.3164.6000111E69 E70 R75 Q76 L77E69-I73 WeakPolarHBondContact O-CD1 3.39Å; E69-I73 VanDerWaalsContact O-CG1 3.29Å; E69-I73 WeakPolarHBondContact O-CG1 3.38Å; E69-I73 PolarHBondContact O-N 3.17Å; E69-I73 VanDerWaalsContact O-N 3.11Å; E70-I73 PolarHBondContact O-N 3.47Å; I73-R75 VanDerWaalsContact C-N 3.31Å; I73-R75 PolarHBondContact O-N 3.02Å; I73-Q76 PolarHBondContact O-N 2.98Å; I73-L77 HydrophobicContact CG2-CD1 4.14Å; I73-L77 WeakPolarHBondContact O-CB 3.24Å; I73-L77 PolarHBondContact O-N 2.95Å
74L61Low52.5Low51 Ų5199.5 Ų99.527%0.26750%0.496SS..Hα-helixtrans-66.5-33.1173.5-72.9172.7000112E70 N78 V517E70-L74 HydrophobicContact CG-CD1 4.21Å; E70-L74 WeakPolarHBondContact O-CB 3.42Å; E70-L74 WeakPolarHBondContact O-CG 3.3Å; E70-L74 PolarHBondContact O-N 3.43Å; L74-N78 VanDerWaalsContact O-CB 3.24Å; L74-N78 WeakPolarHBondContact O-CB 3.49Å; L74-N78 PolarHBondContact O-N 3.05Å; L74-V517 HydrophobicContact CD1-CG1 3.74Å
75R64.3Low52.3Low116 Ų116100.2 Ų100.244%0.43850%0.499SS..Hα-helixtrans-66.1-46.2172.4-168.4-17779.780.92.9111.5R71 E72 I73 N78 E79R71-R75 VanDerWaalsContact O-CB 3.26Å; R71-R75 WeakPolarHBondContact O-CB 3.41Å; R71-R75 PolarHBondContact O-N 2.87Å; E72-R75 WeakPolarHBondContact O-CB 3.26Å; E72-R75 PolarHBondContact O-N 3.03Å; E72-R75 IonicContact OE1-CZ 3.78Å; E72-R75 IonicContact OE1-NE 3.27Å; E72-R75 PolarHBondContact OE1-NE 3.06Å; E72-R75 IonicContact OE1-NH2 3.77Å; E72-R75 PolarHBondContact OE1-NH2 2.97Å; E72-R75 IonicContact OE2-CZ 2.88Å; E72-R75 IonicContact OE2-NE 2.93Å; E72-R75 PolarHBondContact OE2-NE 3.31Å; E72-R75 IonicContact OE2-NH2 2.94Å; I73-R75 VanDerWaalsContact C-N 3.31Å; I73-R75 PolarHBondContact O-N 3.02Å; R75-N78 PolarHBondContact O-N 2.96Å; R75-E79 IonicContact NH1-OE1 3.2Å; R75-E79 PolarHBondContact NH1-OE1 2.92Å; R75-E79 PolarHBondContact O-N 3.15Å
76Q57.3Low51.9Low104 Ų104102.1 Ų102.149%0.48651%0.513SS..Hα-helixtrans-61.4-42.2174.6-82.3-177.4-2700111.9E72 I73 N78 E79 I80E72-Q76 PolarHBondContact O-N 2.87Å; I73-Q76 PolarHBondContact O-N 2.98Å; Q76-N78 VanDerWaalsContact C-N 3.32Å; Q76-N78 PolarHBondContact O-N 3.46Å; Q76-E79 PolarHBondContact O-N 3.19Å; Q76-I80 WeakPolarHBondContact O-CD1 3.33Å; Q76-I80 VanDerWaalsContact O-CG1 3.24Å; Q76-I80 WeakPolarHBondContact O-CG1 3.37Å; Q76-I80 PolarHBondContact O-N 3.36Å
77L53.9Low51.7Low92 Ų92106.1 Ų106.148%0.48253%0.53SS..Hα-helixtrans-63.9-36.6174-87.9158.2000112.6I73 I80 I81I73-L77 HydrophobicContact CG2-CD1 4.14Å; I73-L77 WeakPolarHBondContact O-CB 3.24Å; I73-L77 PolarHBondContact O-N 2.95Å; L77-I80 PolarHBondContact O-N 2.9Å; L77-I81 WeakPolarHBondContact O-CG1 3.21Å; L77-I81 PolarHBondContact O-N 2.88Å
78N50.8Low50.7Low61 Ų61107.6 Ų107.633%0.32654%0.544SS..Hα-helixtrans-74.7-25.8177.5-160.548.4000112.8L74 R75 Q76 I81L74-N78 VanDerWaalsContact O-CB 3.24Å; L74-N78 WeakPolarHBondContact O-CB 3.49Å; L74-N78 PolarHBondContact O-N 3.05Å; R75-N78 PolarHBondContact O-N 2.96Å; Q76-N78 VanDerWaalsContact C-N 3.32Å; Q76-N78 PolarHBondContact O-N 3.46Å; N78-I81 VanDerWaalsContact O-O 3.09Å
79E52.6Low49.9Very low132 Ų132113 Ų11362%0.61756%0.557SS**Hα-helixtrans-72.2-30.1169.3-83.4-169.9-174.500112.5R75 Q76 I81R75-E79 IonicContact NH1-OE1 3.2Å; R75-E79 PolarHBondContact NH1-OE1 2.92Å; R75-E79 PolarHBondContact O-N 3.15Å; Q76-E79 PolarHBondContact O-N 3.19Å; E79-I81 VanDerWaalsContact C-N 3.34Å
80I55.6Low48.7Very low131 Ų131112.5 Ų112.567%0.67256%0.564SS**Hα-helixtrans-77.9-20.7177.6-62160.7000111.6Q76 L77 P82Q76-I80 WeakPolarHBondContact O-CD1 3.33Å; Q76-I80 VanDerWaalsContact O-CG1 3.24Å; Q76-I80 WeakPolarHBondContact O-CG1 3.37Å; Q76-I80 PolarHBondContact O-N 3.36Å; L77-I80 PolarHBondContact O-N 2.9Å; I80-P82 WeakPolarHBondContact O-CD 3.46Å
81I45.7Very low47.4Very low100 Ų100114.6 Ų114.651%0.51359%0.585SS.*SBendtrans-94111.1176.2-60.8165.4000108.9L77 N78 E79 H83L77-I81 WeakPolarHBondContact O-CG1 3.21Å; L77-I81 PolarHBondContact O-N 2.88Å; N78-I81 VanDerWaalsContact O-O 3.09Å; E79-I81 VanDerWaalsContact C-N 3.34Å; I81-H83 PolarHBondContact O-N 3.26Å
82P40.3Very low46.3Very low66 Ų66116 Ų11643%0.42960%0.597SS.*  trans-67.6129.4-175.125.9-32.9000112I80 H84I80-P82 WeakPolarHBondContact O-CD 3.46Å; P82-H84 VanDerWaalsContact C-N 3.32Å; P82-H84 PolarHBondContact O-N 3.37Å
83H45.6Very low44.9Very low148 Ų148120.2 Ų120.269%0.68562%0.622SS**SBendtrans-66.779.1175.2-57.6-65.2000112I81I81-H83 PolarHBondContact O-N 3.26Å
84H40.9Very low43.5Very low134 Ų134119.7 Ų119.762%0.6264%0.636SS**  trans-149.348.216251.9-93.5000111.2P82 S86P82-H84 VanDerWaalsContact C-N 3.32Å; P82-H84 PolarHBondContact O-N 3.37Å; H84-S86 PolarHBondContact O-N 2.89Å
85L40.8Very low42.2Very low168 Ų168122.2 Ų122.288%0.8866%0.664SS**  trans-82.876.8157-67.2174.2000107.8F87L85-F87 VanDerWaalsContact C-N 3.33Å; L85-F87 PolarHBondContact O-N 2.92Å
86S35.1Very low40.8Very low105 Ų105121.9 Ų121.973%0.73469%0.686SS**  trans-63.7101.3161.9-45.80000106.8H84 T88H84-S86 PolarHBondContact O-N 2.89Å; S86-T88 PolarHBondContact O-N 3.5Å
87F36.2Very low39.6Very low181 Ų181120.6 Ų120.679%0.79470%0.701SS**  trans-48.9104.5170.3-173.9-95.8000109L85 Q89L85-F87 VanDerWaalsContact C-N 3.33Å; L85-F87 PolarHBondContact O-N 2.92Å; F87-Q89 VanDerWaalsContact C-N 3.26Å; F87-Q89 HydrophobicContact CD1-CB 4.17Å; F87-Q89 HydrophobicContact CE1-CB 4.28Å; F87-Q89 PolarHBondContact O-N 3.37Å
88T33.2Very low38.7Very low126 Ų126123.9 Ų123.977%0.77372%0.718SS**  trans-71.992.5168.241.70000107.3S86 C90S86-T88 PolarHBondContact O-N 3.5Å; T88-C90 PolarHBondContact O-N 2.93Å
89Q33.4Very low37.9Very low160 Ų160128.4 Ų128.475%0.74874%0.742SS**  trans-55.299.7167.6-170.9172.527.900108.5F87 P91F87-Q89 VanDerWaalsContact C-N 3.26Å; F87-Q89 HydrophobicContact CD1-CB 4.17Å; F87-Q89 HydrophobicContact CE1-CB 4.28Å; F87-Q89 PolarHBondContact O-N 3.37Å; Q89-P91 WeakPolarHBondContact O-CD 3.32Å
90C31.2Very low36.9Very low98 Ų98130.1 Ų130.166%0.66275%0.75SS**  trans-68.3120.1167.6-78.70000108.1T88 H92T88-C90 PolarHBondContact O-N 2.93Å; C90-H92 PolarHBondContact O-N 3.27Å; C90-H92 VanDerWaalsContact O-N 3.08Å
91P32.9Very low36.7Very low124 Ų124129.3 Ų129.381%0.80575%0.753SS**  trans-74.2102.2172.329.2-29000108.4Q89 D93Q89-P91 WeakPolarHBondContact O-CD 3.32Å; P91-D93 PolarHBondContact O-N 3.14Å
92H34.5Very low35.9Very low181 Ų181127.8 Ų127.884%0.83876%0.762SS**  trans-73.1105.5157.4-87-78.7000107.8C90 G94C90-H92 PolarHBondContact O-N 3.27Å; C90-H92 VanDerWaalsContact O-N 3.08Å; H92-G94 VanDerWaalsContact C-N 3.32Å; H92-G94 PolarHBondContact O-N 2.91Å
93D33.5Very low35.5Very low169 Ų169132.2 Ų132.290%0.90478%0.781SS**  trans-76.988.7169.7-145.20.4000108P91P91-D93 PolarHBondContact O-N 3.14Å
94G35.2Very low34.9Very low66 Ų66131.6 Ų131.668%0.6879%0.788SS**  trans-91.8105.4173.300000110H92 A96H92-G94 VanDerWaalsContact C-N 3.32Å; H92-G94 PolarHBondContact O-N 2.91Å; G94-A96 PolarHBondContact O-N 3.01Å
95A32.2Very low34.5Very low105 Ų105128.8 Ų128.887%0.86880%0.795SS**  trans-69.5113.8166.100000109.5
96A36.1Very low33.9Very low108 Ų108125.9 Ų125.989%0.89379%0.788SS**  trans-65.213416900000110.7G94G94-A96 PolarHBondContact O-N 3.01Å
97G32.8Very low33.7Very low78 Ų78127.1 Ų127.180%0.80479%0.791SS**  trans-166.476177.300000111.9
98L34.6Very low34.5Very low160 Ų160123.1 Ų123.184%0.83878%0.784SS**  trans-50.8144.4165.5-168.885000111.6
99L32.8Very low34.5Very low156 Ų156127 Ų12782%0.81778%0.784SS**  trans124.4101.6151-61.7173.4000115.8
100E33.4Very low34.5Very low169 Ų169126.2 Ų126.279%0.7978%0.784SS**  trans-76.5172140.3-88.7-72.1142.100109.5
101P49.5Very low34.5Very low114 Ų114126.8 Ų126.874%0.7479%0.79SS**  cis-130.8165.5-13.634.6-17.8000113.5
102G29.4Very low34.7Very low67 Ų67125.2 Ų125.269%0.69179%0.787SS**  trans149.5103151.100000119.5
103L32.9Very low34.5Very low160 Ų160123.2 Ų123.284%0.83879%0.787SS**  trans58.9112.2132.5-65.4164.4000120.8
104T32.9Very low34.5Very low135 Ų135119.9 Ų119.983%0.82878%0.777SS**  trans57.6119.9133.962.90000119.9
105G30.9Very low34.3Very low74 Ų74122.5 Ų122.576%0.76378%0.78SS**  trans127.8101.313700000117.2
106S28.1Very low34.5Very low107 Ų107128.9 Ų128.975%0.74878%0.781SS**  55.9102.3124.4178.90000119.8
107V31.2Very low34.3Very low132 Ų132132.6 Ų132.680%0.878%0.78SS**  trans35.7174134.2-99.50000121.4
108P54.2Low34.5Very low97 Ų97135.2 Ų135.263%0.6378%0.78SS**  cis-128.5-161.3-34.933.4-17.4000113.3
109W31.9Very low34.3Very low208 Ų208130.6 Ų130.679%0.78877%0.771SS**  trans84120.3136.890.8-65.8000125
110L34.7Very low34.3Very low142 Ų142129.5 Ų129.574%0.74377%0.771SS**  trans66.2145.8150.1-57.9-177.2000118.9
111S30.7Very low34.3Very low111 Ų111130.6 Ų130.678%0.77678%0.776SS**  cis-164.1160.931.5-148.30000112.3
112A38Very low33.6Very low91 Ų91133.1 Ų133.175%0.75278%0.782SS**  trans-85.1145.6174.400000113
113V29.6Very low33.7Very low138 Ų138138.4 Ų138.484%0.83679%0.788SS**  trans-156.4106.2157.2-168.30000106.7
114S32.6Very low33.9Very low100 Ų100136.1 Ų136.170%0.69978%0.783SS**  73.9109.475.2-155.70000116.4
115V31.8Very low34Very low121 Ų121139.1 Ų139.173%0.73379%0.788SS**  trans77.1120137.4174.90000118.5
116R35.8Very low34.1Very low239 Ų239141.3 Ų141.390%0.90279%0.786SS**  -172.6140.6105.1-89-178.1-159.2-156.71.8113.7
117H32.3Very low34.2Very low185 Ų185140 Ų14086%0.85679%0.79SS**  trans-89.6128.5177-17483.2000109
118V37Very low34.2Very low133 Ų133143.1 Ų143.181%0.80679%0.788SS**  trans-145114.7160.4174.90000107.5
119G30.2Very low33.1Very low63 Ų63148.6 Ų148.665%0.64980%0.803SS**  trans-89.6149.7164.100000110.5
120T33.5Very low33Very low134 Ų134143.4 Ų143.482%0.82280%0.798SS**  trans-140.2116.7157.344.30000109.2
121E32.8Very low32.9Very low192 Ų192141.9 Ų141.990%0.89780%0.799SS**  trans-74.6128.7169.5173-173.6-178.800110.2
122I35.2Very low32.9Very low167 Ų167143.2 Ų143.286%0.85680%0.802SS**  trans-144.5133.4156.2-53.3-178.3000109.8
123Q30.7Very low32.8Very low177 Ų177150.2 Ų150.283%0.82781%0.809SS**  trans-51.8163.8-176.1-97.6-176.1-20.700119.1
124P37.9Very low33Very low113 Ų113147.5 Ų147.573%0.73480%0.801SS**  trans-91.2145.1174.136.8-29.7000112.8
125Q33.8Very low33.1Very low197 Ų197150.4 Ų150.492%0.92181%0.808SS**  trans-110.7124.9162.2-86.1-130.3-6.100111.2
126V33.1Very low33Very low120 Ų120152.5 Ų152.573%0.72781%0.814SS**  trans-76.9131.4172.4170.60000109Y128V126-Y128 HydrophobicContact CG1-CD2 3.86Å; V126-Y128 HydrophobicContact CG1-CE2 4.34Å
127G31.1Very low32.7Very low80 Ų80144.6 Ų144.683%0.82581%0.807SS**  trans-131.294172.300000111.3
128Y31.3Very low32.8Very low197 Ų197141.6 Ų141.677%0.77381%0.807SS**  trans-70137.4169.2-104-110.6000111.6V126V126-Y128 HydrophobicContact CG1-CD2 3.86Å; V126-Y128 HydrophobicContact CG1-CE2 4.34Å
129F31.8Very low32.5Very low213 Ų213144.5 Ų144.593%0.93481%0.812SS**  trans-152.992.2140.6-79.5-71.9000107.3
130S29Very low32.6Very low99 Ų99150 Ų15069%0.69282%0.821SS**  86.998.484.7-150.80000113.8
131S32.6Very low32.5Very low109 Ų109148.5 Ų148.576%0.76282%0.822SS**  trans-64.2139.5159170.30000111.6
132V31.3Very low32.4Very low139 Ų139144.1 Ų144.184%0.84282%0.819SS**  trans-148.1117.2143.9-165.90000109.7
133R34.6Very low32.1Very low238 Ų238140 Ų14090%0.89882%0.818SS**  trans-109133.8156.6-103.7-171.1-90.1-132.7-3106.9
134A35.7Very low32.1Very low81 Ų81143 Ų14367%0.66982%0.821SS**  trans-178.6128.3147.600000113.9
135L33.8Very low31.9Very low161 Ų161147.9 Ų147.984%0.84383%0.831SS**  trans62.7144.6133.1-62.2164.6000117.9
136L30.3Very low31.7Very low165 Ų165142.9 Ų142.986%0.86482%0.824SS**  cis-170158.128.5-166.769.3000108
137G28.2Very low31.6Very low73 Ų73148.4 Ų148.475%0.75383%0.831SS**  trans157.484.3154.500000116.6
138S35.8Very low31.4Very low123 Ų123149.3 Ų149.386%0.8683%0.831SS**  trans-75.3138.1162.8-176.50000110
139Q30.9Very low31.4Very low194 Ų194144.3 Ų144.391%0.90783%0.83SS**  trans-153127.1147.7-160.7167.81.100112.8
140E31.5Very low31.5Very low177 Ų177139.7 Ų139.783%0.82783%0.825SS**  trans-79.6142.9177.5-170.2-173.616000111.3
141A30.7Very low32.4Very low103 Ų103140.6 Ų140.685%0.85183%0.828SS**  trans-155.7127.5153.700000111.8
142A32.3Very low32.4Very low100 Ų100140.5 Ų140.583%0.82683%0.834SS**  trans-75.2154.2-174.500000114.5
143G27.3Very low32.4Very low81 Ų81137.6 Ų137.684%0.83583%0.832SS**  trans-161.184.1167.500000111.9
144R32.1Very low32.5Very low240 Ų240134.3 Ų134.391%0.90683%0.832SS**  trans-68.4142.8173.5-69.9171.9156.6-126.6-2.8111.6
145K33Very low32.5Very low216 Ų216136.2 Ų136.294%0.93984%0.84SS**  trans-161.4137.9134.2-111.4170.3-175-179.50111.4
146A30.6Very low32.6Very low92 Ų92132 Ų13276%0.7684%0.836SS**  trans-111.9152.4-172.200000111.3
147W30.8Very low33.6Very low236 Ų236130.7 Ų130.789%0.89484%0.837SS**  trans-172.4114.1143.256.7-73.1000106.2
148A26.9Very low34.3Very low99 Ų99136.9 Ų136.982%0.81884%0.838SS**  89.9139.678.900000113.4
149A31.5Very low34.4Very low91 Ų91141.6 Ų141.675%0.75284%0.837SS**  trans-81.5153.7-154.700000118.8
150S32.5Very low34.4Very low117 Ų117135.5 Ų135.582%0.81883%0.826SS**  trans61.5166.1135.4-710000121.7
151P48.6Very low34.4Very low118 Ų118133 Ų13377%0.76683%0.829SS**  cis-136175.5-9.432.3-10.7000116.7
152A32.6Very low34.4Very low106 Ų106138 Ų13888%0.87683%0.832SS**  trans65.9130.1143.500000122.1
153G30.2Very low34.6Very low78 Ų78141.6 Ų141.680%0.80484%0.836SS**  trans176.8100.9162.700000112.6
154N36.6Very low34.8Very low170 Ų170149.1 Ų149.191%0.90984%0.839SS**  trans-66.2137.3175.5-76.3-11.5000112.8
155S35.9Very low34.8Very low120 Ų120147.7 Ų147.784%0.83983%0.834SS**  trans-171.5108.4136.847.60000110.6
156G36.8Very low34.8Very low72 Ų72140.2 Ų140.274%0.74282%0.818SS**PPolyproline II helixtrans-94.4142.7164.300000109.7
157P50.1Low35.2Very low138 Ų138142.8 Ų142.890%0.89682%0.819SS**PPolyproline II helixtrans-74.4129173.326.3-29000111.5
158W43Very low35.5Very low204 Ų204138.7 Ų138.777%0.77381%0.813SS**PPolyproline II helixtrans-78.9146.5174-177.4-26.3000108.8
159W38.4Very low35.7Very low221 Ų221143.3 Ų143.384%0.83782%0.817SS**  trans119.274.5162.2-55.7111.4000113.4
160G30.7Very low35.9Very low66 Ų66146.9 Ų146.968%0.6882%0.819SS**  trans-120145.6147.800000108.7
161S31.3Very low35.9Very low126 Ų126150.5 Ų150.588%0.88182%0.823SS**  trans87.991.7167.4-43.80000117.3
162F30.9Very low34.8Very low208 Ų208148.1 Ų148.191%0.91282%0.82SS**  trans-145.9103.4142.5-148.4-96.8000109.5
163L37.1Very low34.9Very low174 Ų174146.9 Ų146.991%0.91181%0.809SS**  trans-179.583150.4-96175.4000107.9
164R31.1Very low34.9Very low239 Ų239152 Ų15290%0.90281%0.812SS**  trans-164.2135.1152.4-171.1168.5-100.3-156.7-5.6110.4
165R33Very low34.8Very low211 Ų211148.5 Ų148.580%0.79680%0.801SS**  trans105.8101.9156.8-164.6170.3-83.4-974.1114.6
166G32.8Very low34.6Very low59 Ų59151.3 Ų151.361%0.60880%0.801SS**  trans-75.5160.4151.500000110.5
167D39.1Very low34.2Very low146 Ų146154.1 Ų154.178%0.78180%0.804SS**  trans-170.5154.5134.6-84.7-35.3000109
168I36.1Very low33.4Very low150 Ų150155.4 Ų155.477%0.76980%0.801SS**  trans-71.9145.1-171-61.6142.5000112.1
169Q31.6Very low32.9Very low195 Ų195156.6 Ų156.691%0.91181%0.806SS**  trans-163.3138.1136.6-152140.6-1.300114.2
170E36.3Very low33.7Very low167 Ų167150.8 Ų150.878%0.7880%0.797SS**  trans-81.7178.9-179.5-67.2-161.4133.800115.5
171E30.8Very low34.7Very low193 Ų193153.7 Ų153.790%0.90280%0.803SS**  trans86.8135.2162.7-60.4-141.9144.400116.5
172G27.5Very low34.7Very low68 Ų68155.9 Ų155.970%0.70180%0.8SS**  cis165.71545.500000109.7
173A34Very low35.7Very low80 Ų80150.7 Ų150.766%0.66179%0.787SS**  trans74.6111.2152.800000119.3
174E29.4Very low35.3Very low185 Ų185151.1 Ų151.186%0.86478%0.784SS**  86.4141.894.2-73.6173.7155.600112.4
175S34.1Very low35.3Very low96 Ų96144.8 Ų144.867%0.67178%0.777SS**  cis-178.3172.6-3.1-98.80000107.4
176Q32.1Very low35.2Very low180 Ų180140.1 Ų140.184%0.84178%0.776SS**  trans108.6100.4158.4-57.2-178.741.700115.5
177T28.4Very low35.1Very low130 Ų130140.7 Ų140.780%0.79878%0.782SS**  72.9113.680.7-620000111
178I33.8Very low35.2Very low165 Ų165140 Ų14085%0.84679%0.785SS**  -160.4147.293.2-79166.3000110.9
179R32.4Very low35.9Very low229 Ų229138 Ų13886%0.86478%0.782SS**  trans-94-176.1-177.9-130.6-159.4-156.8175.47.3112.4
180P55.8Low36Very low100 Ų100136.8 Ų136.865%0.64978%0.777SS**  -117.1-161-129.540-16.3000113
181P52.2Low35.6Very low126 Ų126136.5 Ų136.582%0.81878%0.775SS**  -144.6157.275.934.1-12.9000117.6
182E30.6Very low35.7Very low172 Ų172133.7 Ų133.780%0.80477%0.766SS**  trans-62.1-173.2164.1-71.5-113.1147.900114.5
183P51.7Low35.8Very low99 Ų99137 Ų13764%0.64377%0.767SS**  cis-127.6178.8-7.815.911.9000111.2
184E28.3Very low35.6Very low184 Ų184140 Ų14086%0.8677%0.772SS**  -167.8136.784.5-66-152.5130.500113.4
185S31.2Very low35.7Very low106 Ų106135.3 Ų135.374%0.74177%0.765SS**  trans67.5100.5135.7-152.80000120.7
186S32.2Very low35.5Very low113 Ų113137.5 Ų137.579%0.7977%0.769SS**  140.4115.3110.9-82.70000111.5
187G30.2Very low35.3Very low70 Ų70135.5 Ų135.572%0.72277%0.769SS**  trans-85-165.117700000114.1
188P41.3Very low35.5Very low131 Ų131135.5 Ų135.585%0.85177%0.769SS**  -133.1-133.7-117.933.8-8.1000111.4
189P50.3Low35.4Very low109 Ų109136.2 Ų136.271%0.70877%0.769SS**  -122.1178.8-120.836.7-14.6000115.1
190Q32.6Very low35.4Very low170 Ų170132.9 Ų132.979%0.79477%0.768SS**  trans44.7141.6144.9-73.5-166.3-3.200124.1
191Q28.6Very low34.1Very low160 Ų160136.6 Ų136.675%0.74878%0.779SS**  trans95.1117.4145.3-83.8-175.97.500121.4
192L32.8Very low33Very low135 Ų135135.4 Ų135.471%0.70778%0.779SS**  43.7132.7126.3-64165.5000120.1
193N30.6Very low32.9Very low137 Ų137132.2 Ų132.273%0.73378%0.782SS**  164.3121.4115.8-75.5-26.7000113.1
194N29Very low31.8Very low143 Ų143136.5 Ų136.577%0.76579%0.794SS**  54.6138.1125.9-56.8-6.8000125.1
195A31.7Very low32.4Very low86 Ų86132.8 Ų132.871%0.71179%0.786SS**  trans70.3149.813300000118.9
196D30.5Very low32Very low142 Ų142139 Ų13976%0.75979%0.793SS**  cis-171.6163.82.5-116.7-44.7000106.6
197T28.1Very low31.9Very low138 Ų138137.9 Ų137.985%0.84779%0.785SS**  trans-148.1121.7151.7-71.20000111.2
198V32Very low31.8Very low130 Ų130143 Ų14379%0.78879%0.791SS**  trans-91138.2169177.50000109.6
199Q32.4Very low31.4Very low181 Ų181145.4 Ų145.485%0.84679%0.79SS**  trans-77.4156170.7-73.3177.9-16.600112.4
200N30.6Very low30.4Very low159 Ų159146.1 Ų146.185%0.8579%0.788SS**  trans-142.2153.1158.9-136.5-19.6000112.2
201M29.4Very low30.4Very low178 Ų178146.3 Ų146.388%0.87779%0.789SS**  trans-80.6161.7-158.2-57.9173.4172.200116.2
202A28.1Very low30.5Very low100 Ų100141.4 Ų141.483%0.82678%0.781SS**  126.8135.1122.600000118.8
203A28.7Very low30.3Very low105 Ų105145.5 Ų145.587%0.86879%0.789SS**  trans103.8116.7143.100000121.1
204Q28.8Very low30.3Very low189 Ų189146.9 Ų146.988%0.88379%0.791SS**  trans-36.1173.9160.5-84.2-178.5-36.700117.8
205P41Very low30.5Very low106 Ų106144.6 Ų144.669%0.68879%0.786SS**  cis-151.6-179.529.440.9-18.4000120.2
206R23.9Very low30.4Very low237 Ų237148.9 Ų148.989%0.89480%0.796SS**  trans73.4144.8154.2-81.9178.5177-172.3-1.5117.9
207S29.2Very low30.5Very low89 Ų89150.4 Ų150.462%0.62280%0.798SS**  cis-168.8161.318.639.20000111.3
208E27.7Very low30.8Very low179 Ų179152.5 Ų152.584%0.83680%0.799SS**  trans68.9136.6153.1-69.3164.6153.800116.7
209Q33.7Very low30.7Very low180 Ų180155 Ų15584%0.84180%0.802SS**  cis-162.4136.838.2-108.9161.7-15.500106.5
210D29.3Very low30.7Very low125 Ų125153.9 Ų153.967%0.66880%0.801SS**  89.2123.576.2-147.321.7000114.8
211Q31.8Very low30.5Very low174 Ų174153.2 Ų153.281%0.81380%0.802SS**  trans64.8135.5159.3-32.7-174.76.500118.6
212G30.5Very low30.8Very low57 Ų57153.1 Ų153.159%0.58880%0.8SS**  cis161.3160.36.800000109.4
213Y29Very low31.4Very low220 Ų220154.5 Ų154.586%0.86380%0.801SS**  trans67.9141.7165.7-63.2-87000117.2
214H31.9Very low31.3Very low167 Ų167152.6 Ų152.677%0.77379%0.791SS**  cis-156.9142.914.1-126.5-72.3000108.6
215S31.3Very low31.2Very low94 Ų94150.3 Ų150.366%0.65779%0.79SS**  trans-98.7139.4173.1173.70000109.8
216L30.3Very low30.4Very low177 Ų177151 Ų15193%0.92779%0.792SS**  trans-156.7103.2153.9-84-174.2000110
217E32.5Very low30.8Very low173 Ų173145.8 Ų145.881%0.80879%0.787SS**  trans-137.1166.9155.961.5-169.1113.400108.7
218E33.8Very low31.6Very low182 Ų182147 Ų14785%0.8579%0.792SS**  trans99.886.6165.4-135.8176.1142.400118.7
219E31.8Very low32.3Very low184 Ų184143.7 Ų143.786%0.8679%0.787SS**  24145.3119.8-137.5177.7119.600122.9
220L30.9Very low32.1Very low157 Ų157141.4 Ų141.482%0.82279%0.785SS**  trans-77.1150.9-175.5-73.285.9000114.5
221T27.5Very low32.2Very low144 Ų144143.9 Ų143.988%0.88379%0.793SS**  trans-145.7139.9145.2-400000112.1
222Q35.4Very low32.2Very low177 Ų177143.3 Ų143.383%0.82779%0.79SS**  trans-57.1175.4-178.9-75.5-172.133.400116
223P39.9Very low32.3Very low129 Ų129148.3 Ų148.384%0.83880%0.798SS**  cis-158.3174.34740.5-15.6000121.6
224G26.4Very low32.4Very low64 Ų64146.2 Ų146.266%0.6680%0.796SS**  trans135.3100.3141.200000122.7
225T26.7Very low32.5Very low141 Ų141144.3 Ų144.387%0.86580%0.799SS**  70.5122.7127.524.80000126.6
226T26Very low32.4Very low121 Ų121148.1 Ų148.174%0.74281%0.806SS**  trans113.997.3133.6-36.80000121.7
227T32Very low32.3Very low127 Ų127148.9 Ų148.978%0.77981%0.807SS**  trans25171.5138.570.40000125.1
228P45.2Very low32.4Very low114 Ų114149.3 Ų149.374%0.7481%0.81SS**  -125.6-150.3-80.742.6-21.2000110.7
229P43.3Very low32.6Very low110 Ų110146.6 Ų146.671%0.71481%0.808SS**  cis-128.8177.3-19.740.3-23000114.4
230T28.7Very low32.7Very low133 Ų133144 Ų14482%0.81680%0.804SS**  171.1138.6127.3-64.70000111.1
231E32Very low33.1Very low176 Ų176142.1 Ų142.182%0.82280%0.801SS**  trans-54.9146.4177-68.7162.1103.700114.9
232E31Very low33.7Very low162 Ų162144.4 Ų144.476%0.75780%0.802SS**  170.4137.7108.3-91.5-158.810100112.4
233Q33.6Very low33.9Very low162 Ų162144.6 Ų144.676%0.75780%0.803SS**  trans75.5110.6148.9-65.3167.831.700120.8
234Q29.6Very low33.9Very low176 Ų176144.3 Ų144.382%0.82280%0.801SS**  trans-61.4157.7157.1-79.3176.5-27.600111.9
235P34.3Very low34.8Very low128 Ų128149.5 Ų149.583%0.83181%0.808SS**  -134.9163.8102.634.6-21.3000114.3
236Q29.1Very low35.5Very low174 Ų174148.7 Ų148.781%0.81381%0.805SS**  trans-66.2143.1-168.7-55.8-174.3-14.500114.9
237M29Very low36.2Very low192 Ų192151.4 Ų151.495%0.94681%0.809SS**  trans-140.4145.3151.8-70.6-174.489.300109.5
238E34.9Very low36.9Very low183 Ų183154.3 Ų154.386%0.85581%0.814SS**PPolyproline II helixtrans-51.3158.2-174.5-78.7-176.3112.300116.6V240E238-V240 PolarHBondContact O-N 2.97Å
239P37.1Very low36.7Very low125 Ų125154.7 Ų154.781%0.81281%0.814SS**PPolyproline II helixtrans-74.6122.1171.531.3-31.5000111.6
240V35.2Very low36.8Very low129 Ų129157 Ų15778%0.78282%0.819SS**PPolyproline II helixtrans-61.6135.9162.9173.30000109E238E238-V240 PolarHBondContact O-N 2.97Å
241P37.9Very low37.8Very low118 Ų118156.1 Ų156.177%0.76682%0.819SS**PPolyproline II helixtrans-70.9136.618027.8-31.5000111.2
242E40.4Very low39.2Very low191 Ų191152.1 Ų152.189%0.89381%0.806SS**PPolyproline II helixtrans-55.7136.5172.8-70.8-175.1138.700111.2
243E39.9Very low40.3Very low182 Ų182149.7 Ų149.785%0.8581%0.805SS**PPolyproline II helixtrans-57.7137.1167-73.3-158.7137.100110.5E245E243-E245 PolarHBondContact O-N 3.33Å
244P40.5Very low41.7Very low123 Ų123150 Ų15080%0.79981%0.806SS**PPolyproline II helixtrans-74.4126.6167.529.6-30.2000110
245E44.7Very low43.3Very low172 Ų172143.6 Ų143.680%0.80478%0.781SS**  trans-45.1146.9169.8-62.9-118.5136.400112.6E243 E247E243-E245 PolarHBondContact O-N 3.33Å; E245-E247 PolarHBondContact O-N 3.18Å; E245-E247 VanDerWaalsContact O-N 3.09Å
246P42.3Very low45.2Very low124 Ų124141.5 Ų141.581%0.80578%0.782SS**  trans-64116.5178.226.7-32.7000110.1E248P246-E248 PolarHBondContact O-N 3.31Å
247E39.1Very low47.6Very low178 Ų178136.9 Ų136.983%0.83276%0.763SS**  trans-52.5132169.7-65.7-163.8160.300109.9E245 V249E245-E247 PolarHBondContact O-N 3.18Å; E245-E247 VanDerWaalsContact O-N 3.09Å; E247-V249 VanDerWaalsContact C-N 3.31Å; E247-V249 PolarHBondContact O-N 2.7Å
248E46.9Very low49.9Very low189 Ų189135 Ų13588%0.88375%0.749SS**  trans-60.693.8172.5-71.1-167.1152.700109.4P246 L250P246-E248 PolarHBondContact O-N 3.31Å; E248-L250 PolarHBondContact O-N 3.05Å
249V41.2Very low51.6Low122 Ų122129.5 Ų129.574%0.73973%0.731SS**  trans-61.1104.8168.8-178.20000107E247 S251E247-V249 VanDerWaalsContact C-N 3.31Å; E247-V249 PolarHBondContact O-N 2.7Å; V249-S251 PolarHBondContact O-N 3.32Å
250L45.4Very low53.4Low157 Ų157127.1 Ų127.182%0.82271%0.711SS**  trans-49.4112.2169.1-71.1174000108E248 V252E248-L250 PolarHBondContact O-N 3.05Å; L250-V252 PolarHBondContact O-N 3.2Å
251S49.9Very low55.3Low115 Ų115121.7 Ų121.780%0.80468%0.68SS**  trans-59113.7-175.3-45.70000108.9V249V249-S251 PolarHBondContact O-N 3.32Å
252V60.3Low57.1Low93 Ų93120.7 Ų120.756%0.56466%0.664SS**  trans-58.3131175.5-173.60000107.4L250 Q254 L266L250-V252 PolarHBondContact O-N 3.2Å; V252-Q254 PolarHBondContact O-N 3.31Å; V252-L266 HydrophobicContact CG1-CD2 3.38Å
253P55.7Low59Low111 Ų111116 Ų11672%0.72164%0.643SS**  trans-58.9112.2-17722.2-33.2000109.9C255P253-C255 PolarHBondContact O-N 2.97Å; P253-C255 VanDerWaalsContact O-N 3.14Å
254Q62.9Low60.8Low167 Ų167112.5 Ų112.578%0.7863%0.629SS**  trans-74107.1-179-164.217212.200108.6V252 G256V252-Q254 PolarHBondContact O-N 3.31Å; Q254-G256 PolarHBondContact O-N 3.4Å
255C63.7Low62.1Low43 Ų43107.1 Ų107.129%0.29160%0.595SS.*  trans-74.6116.6170.9-174.80000108.6P253 N257 I260 A261P253-C255 PolarHBondContact O-N 2.97Å; P253-C255 VanDerWaalsContact O-N 3.14Å; C255-N257 PolarHBondContact O-N 3.15Å; C255-N257 VanDerWaalsContact O-N 3.17Å; C255-I260 VanDerWaalsContact SG-CG2 3.57Å; C255-A261 HydrophobicContact CB-CB 4.34Å
256G74Confident63.6Low84 Ų84101.1 Ų101.187%0.86657%0.569SS**SBendtrans-69.3-5.5177.500000114.6Q254Q254-G256 PolarHBondContact O-N 3.4Å
257N78.7Confident64.7Low77 Ų77100.8 Ų100.841%0.41257%0.567SS.*  trans-98.1111.7175.1-171.4-21.4000110C255 S259 I260 A261C255-N257 PolarHBondContact O-N 3.15Å; C255-N257 VanDerWaalsContact O-N 3.17Å; N257-S259 VanDerWaalsContact C-N 3.3Å; N257-S259 PolarHBondContact O-N 2.73Å; N257-S259 PolarHBondContact OD1-N 3.04Å; N257-S259 PolarHBondContact OD1-OG 3.1Å; N257-I260 HydrophobicContact CB-CB 4.12Å; N257-I260 HydrophobicContact CB-CD1 3.84Å; N257-I260 HydrophobicContact CB-CG1 3.99Å; N257-I260 WeakPolarHBondContact ND2-CD1 3.43Å; N257-I260 PolarHBondContact O-N 3.35Å; N257-I260 VanDerWaalsContact O-N 3.14Å; N257-A261 PolarHBondContact O-N 2.95Å
258K76.7Confident65.1Low151 Ų15196 Ų9666%0.65755%0.551SS**Hα-helixtrans-57.6-37.9-175.3-62.4-175.1175.3-166.10112.9A261 F262 E271K258-A261 PolarHBondContact O-N 2.79Å; K258-F262 WeakPolarHBondContact O-CB 3.34Å; K258-F262 PolarHBondContact O-N 3.09Å; K258-E271 IonicContact NZ-OE1 3.3Å; K258-E271 PolarHBondContact NZ-OE1 2.89Å
259S70.9Confident65.4Low68 Ų6891.2 Ų91.248%0.47654%0.539SS..Hα-helixtrans-70.2-39.2178.557.20000112.2N257 F262 I263N257-S259 VanDerWaalsContact C-N 3.3Å; N257-S259 PolarHBondContact O-N 2.73Å; N257-S259 PolarHBondContact OD1-N 3.04Å; N257-S259 PolarHBondContact OD1-OG 3.1Å; S259-F262 PolarHBondContact O-N 2.92Å; S259-I263 WeakPolarHBondContact O-CD1 3.34Å; S259-I263 VanDerWaalsContact O-CG1 3.24Å; S259-I263 WeakPolarHBondContact O-CG1 3.31Å; S259-I263 PolarHBondContact O-N 2.85Å
260I74.9Confident65.8Low76 Ų7692.8 Ų92.839%0.3954%0.543SS..Hα-helixtrans-69.7-40.2176.4-58.2178.2000110.3C255 N257 F262 I263 M264C255-I260 VanDerWaalsContact SG-CG2 3.57Å; N257-I260 HydrophobicContact CB-CB 4.12Å; N257-I260 HydrophobicContact CB-CD1 3.84Å; N257-I260 HydrophobicContact CB-CG1 3.99Å; N257-I260 WeakPolarHBondContact ND2-CD1 3.43Å; N257-I260 PolarHBondContact O-N 3.35Å; N257-I260 VanDerWaalsContact O-N 3.14Å; I260-F262 VanDerWaalsContact C-N 3.3Å; I260-F262 PolarHBondContact O-N 3.49Å; I260-I263 PolarHBondContact O-N 2.94Å; I260-M264 HydrophobicContact CG2-CG 4.25Å; I260-M264 WeakPolarHBondContact O-CB 3.47Å; I260-M264 WeakPolarHBondContact O-CG 3.29Å; I260-M264 PolarHBondContact O-N 3.01Å
261A76Confident65.7Low15 Ų1591.5 Ų91.512%0.12453%0.533CS..Hα-helixtrans-59.8-40.7174.700000111.9C255 N257 K258 M264 G265 L266C255-A261 HydrophobicContact CB-CB 4.34Å; N257-A261 PolarHBondContact O-N 2.95Å; K258-A261 PolarHBondContact O-N 2.79Å; A261-M264 PolarHBondContact O-N 3.34Å; A261-G265 WeakPolarHBondContact O-CA 3.24Å; A261-G265 PolarHBondContact O-N 3.37Å; A261-L266 HydrophobicContact CB-CD1 4.5Å; A261-L266 PolarHBondContact O-N 3.45Å
262F75.7Confident65.5Low97 Ų9793.3 Ų93.343%0.42553%0.534SS..Hα-helixtrans-65.3-43.5174.9-174-98.7000112.6K258 S259 I260 M264 G265 A488K258-F262 WeakPolarHBondContact O-CB 3.34Å; K258-F262 PolarHBondContact O-N 3.09Å; S259-F262 PolarHBondContact O-N 2.92Å; I260-F262 VanDerWaalsContact C-N 3.3Å; I260-F262 PolarHBondContact O-N 3.49Å; F262-M264 PolarHBondContact O-N 3.18Å; F262-G265 WeakPolarHBondContact O-CA 3.3Å; F262-G265 PolarHBondContact O-N 3.02Å; F262-A488 HydrophobicContact CE1-CB 4.3Å
263I80.7Confident64.4Low91 Ų9193.2 Ų93.247%0.46754%0.537SS..Hα-helixtrans-63.6-42176.2-67.9162.7000111.5S259 I260 G265 R491S259-I263 WeakPolarHBondContact O-CD1 3.34Å; S259-I263 VanDerWaalsContact O-CG1 3.24Å; S259-I263 WeakPolarHBondContact O-CG1 3.31Å; S259-I263 PolarHBondContact O-N 2.85Å; I260-I263 PolarHBondContact O-N 2.94Å; I263-G265 PolarHBondContact O-N 3.34Å; I263-R491 PolarHBondContact O-NH1 3.09Å
264M76.9Confident63.8Low110 Ų11093.2 Ų93.254%0.54254%0.54SS..Hα-helixtrans-70.3-23174.8-65.9-65.1-7600111.3I260 A261 F262 L266 R491 R495I260-M264 HydrophobicContact CG2-CG 4.25Å; I260-M264 WeakPolarHBondContact O-CB 3.47Å; I260-M264 WeakPolarHBondContact O-CG 3.29Å; I260-M264 PolarHBondContact O-N 3.01Å; A261-M264 PolarHBondContact O-N 3.34Å; F262-M264 PolarHBondContact O-N 3.18Å; M264-L266 HydrophobicContact CB-CG 4.31Å; M264-R491 PolarHBondContact O-NH2 3.34Å; M264-R495 PolarHBondContact O-NH2 3.47Å; M264-R495 VanDerWaalsContact O-NH2 3.11Å
265G67.8Low62.7Low10 Ų1093.7 Ų93.710%0.10354%0.542CS..THydrogen-bonded Turntrans69.443.317800000112.4A261 F262 I263 R495A261-G265 WeakPolarHBondContact O-CA 3.24Å; A261-G265 PolarHBondContact O-N 3.37Å; F262-G265 WeakPolarHBondContact O-CA 3.3Å; F262-G265 PolarHBondContact O-N 3.02Å; I263-G265 PolarHBondContact O-N 3.34Å; G265-R495 VanDerWaalsContact CA-NH2 3.31Å; G265-R495 PolarHBondContact O-NE 3.22Å; G265-R495 PolarHBondContact O-NH1 2.93Å; G265-R495 PolarHBondContact O-NH2 3.44Å; G265-R495 VanDerWaalsContact O-NH2 3.07Å
266L76.2Confident61.5Low46 Ų4695.9 Ų95.924%0.24156%0.558CS.*PPolyproline II helixtrans-70.7151.6162.9-60.9179.4000108.8V252 A261 M264 C268V252-L266 HydrophobicContact CG1-CD2 3.38Å; A261-L266 HydrophobicContact CB-CD1 4.5Å; A261-L266 PolarHBondContact O-N 3.45Å; M264-L266 HydrophobicContact CB-CG 4.31Å; L266-C268 PolarHBondContact O-N 3.47Å; L266-C268 VanDerWaalsContact O-N 3.15Å
267P64.5Low60Low117 Ų117100 Ų10076%0.7656%0.555SS**PPolyproline II helixtrans-55124.4170.523.3-31.3000108.1S269P267-S269 PolarHBondContact O-N 3.11Å
268C49.2Very low58.1Low76 Ų76101.9 Ų101.951%0.51457%0.574SS.*PPolyproline II helixtrans-63.7119173.8-65.50000106.3L266 D270L266-C268 PolarHBondContact O-N 3.47Å; L266-C268 VanDerWaalsContact O-N 3.15Å; C268-D270 VanDerWaalsContact C-N 3.29Å; C268-D270 PolarHBondContact O-N 3.32Å
269S53Low56.7Low89 Ų89104 Ų10462%0.62259%0.586SS**  trans-66.796.5170.2-75.60000107.6P267 E271P267-S269 PolarHBondContact O-N 3.11Å; S269-E271 PolarHBondContact O-N 3.11Å; S269-E271 VanDerWaalsContact O-N 3.09Å
270D48.2Very low55.5Low156 Ų156106.3 Ų106.383%0.83460%0.602SS**  trans-67.1100.3163.8-70.6-51.6000107.3C268 D272C268-D270 VanDerWaalsContact C-N 3.29Å; C268-D270 PolarHBondContact O-N 3.32Å; D270-D272 PolarHBondContact O-N 3.29Å
271E44.2Very low54.3Low130 Ų130106.2 Ų106.261%0.60762%0.62SS**  trans-72.9106.4165.751.9-154.7119.500107.8K258 S269 S273K258-E271 IonicContact NZ-OE1 3.3Å; K258-E271 PolarHBondContact NZ-OE1 2.89Å; S269-E271 PolarHBondContact O-N 3.11Å; S269-E271 VanDerWaalsContact O-N 3.09Å; E271-S273 PolarHBondContact O-N 3.48Å
272D44.5Very low53Low152 Ų152110 Ų11081%0.81365%0.646SS**  trans-42.597.5171.6-167.2-3.3000110.5D270D270-D272 PolarHBondContact O-N 3.29Å
273S38.7Very low51.6Low92 Ų92113.1 Ų113.164%0.64367%0.667SS**  trans-113.499.8169.5-71.20000106.4E271 Q275E271-S273 PolarHBondContact O-N 3.48Å; S273-Q275 VanDerWaalsContact C-N 3.3Å; S273-Q275 PolarHBondContact O-N 3.15Å
274S43.4Very low50.4Low111 Ų111115.4 Ų115.478%0.77668%0.68SS**  trans-56.594.7165.9-370000108.7
275Q38.4Very low49.5Very low177 Ų177117.4 Ų117.483%0.82769%0.692SS**  trans-121.696164-71.9-157.9-51.100108.6S273S273-Q275 VanDerWaalsContact C-N 3.3Å; S273-Q275 PolarHBondContact O-N 3.15Å
276S38.2Very low49.2Very low89 Ų89123.9 Ų123.962%0.62273%0.725SS**  trans-22129.7152.853.30000115.6
277E42.5Very low47.9Very low171 Ų171124.3 Ų124.380%0.79974%0.74SS**  trans43.2119.3151.226.2-95.387.100121.1
278S39.3Very low47.2Very low115 Ų115125.7 Ų125.780%0.80474%0.739SS**  176.7119.792.561.30000110.6
279E48.3Very low47.3Very low196 Ų196129.3 Ų129.392%0.91675%0.754SS**  trans-66.4128.1163.957.4-171.5156.500110.4
280S46Very low47.5Very low117 Ų117130.3 Ų130.382%0.81876%0.761SS**  trans-143.292.3161.1-173.60000106.8
281G48.3Very low47.5Very low73 Ų73131.7 Ų131.775%0.75376%0.762SS**  trans-67.1132.9166.100000109.7
282S48.4Very low47.3Very low96 Ų96129.1 Ų129.167%0.67177%0.771SS**  trans-118.599.9154.560.60000106.4D284S282-D284 PolarHBondContact O-N 2.92Å
283D47.8Very low47.2Very low162 Ų162127 Ų12787%0.86677%0.767SS**  trans-68.1100.5162.4-68-51.1000107D285D283-D285 PolarHBondContact O-N 3.34Å
284D55.1Low47.4Very low139 Ų139126.9 Ų126.974%0.74377%0.767SS**  trans-87.196.8164.6-77.3-45.3000107.8S282 D286S282-D284 PolarHBondContact O-N 2.92Å; D284-D286 PolarHBondContact O-N 3.44Å
285D57.8Low47.4Very low151 Ų151128.5 Ų128.581%0.80777%0.767SS**  trans-74.288.4171.4-172.85.6000108.8D283 G287D283-D285 PolarHBondContact O-N 3.34Å; D285-G287 PolarHBondContact O-N 2.93Å
286D61.8Low47.8Very low147 Ų147128.6 Ų128.679%0.78677%0.772SS**  trans-72.182.4167.9-76.4-42.4000109.2D284 I288D284-D286 PolarHBondContact O-N 3.44Å; D286-I288 PolarHBondContact O-N 3.27Å
287G47.8Very low48.1Very low54 Ų54130.9 Ų130.956%0.55778%0.782SS**  trans-52.3106.9169.800000111D285 D289D285-G287 PolarHBondContact O-N 2.93Å; G287-D289 PolarHBondContact O-N 3.31Å
288I50.3Low48.4Very low146 Ų146127 Ų12775%0.74977%0.774SS**  trans-74.1104.1169.158.3129.9000109.2D286 S290D286-I288 PolarHBondContact O-N 3.27Å; I288-S290 PolarHBondContact O-N 2.92Å
289D51.5Low48.5Very low152 Ų152128.6 Ų128.681%0.81377%0.774SS**  trans-64.896.4171.2-70.2-39.6000109.9G287 E291G287-D289 PolarHBondContact O-N 3.31Å; D289-E291 PolarHBondContact O-N 3.36Å; D289-E291 VanDerWaalsContact O-N 3.14Å
290S56.5Low48.6Very low110 Ų110127.1 Ų127.177%0.76977%0.767SS**  trans-75.990.4168.5-79.60000110.2I288I288-S290 PolarHBondContact O-N 2.92Å
291E48.2Very low48.7Very low185 Ų185128.4 Ų128.486%0.86477%0.765SS**  trans-128.4103.7155.756.6179.3162.600110.4D289D289-E291 PolarHBondContact O-N 3.36Å; D289-E291 VanDerWaalsContact O-N 3.14Å
292G39.8Very low48.8Very low76 Ų76133.6 Ų133.678%0.78477%0.769SS**  trans-163.853.4-172.600000114.1
293S43.3Very low49Very low107 Ų107136.2 Ų136.275%0.74878%0.776SS**  trans48.2106.1146.9-147.10000120.6
294S42.9Very low49.3Very low90 Ų90136.6 Ų136.663%0.62978%0.778SS**  62.4125.3121.569.40000122.7
295D43.8Very low49.1Very low145 Ų145138.3 Ų138.378%0.77578%0.781SS**  trans60.798130.7-76.6-53.7000119.3
296L47.1Very low48.7Very low180 Ų180135.9 Ų135.994%0.94278%0.782SS**  trans-142.9140.6138.1-57170.4000108.5
297T44.2Very low48Very low136 Ų136134.2 Ų134.283%0.83478%0.782SS**  trans-78.6156-161.545.80000115.8
298S47.2Very low47.9Very low89 Ų89139.3 Ų139.362%0.62280%0.797SS**  trans-15.2143.5152.4-152.90000118.4
299D42.7Very low47.7Very low150 Ų150136.8 Ų136.880%0.80279%0.792SS**  trans167.5100.6136.4-77.9-33.5000106.3
300E50.5Low47.8Very low164 Ų164136.2 Ų136.277%0.76679%0.789SS**  55.1117.689.7-57.3-161.1173.500115.2
301D48.3Very low47.7Very low145 Ų145135.7 Ų135.778%0.77579%0.785SS**  trans84.2138.5152.1-62-37.5000123.3
302E50.5Low48.7Very low181 Ų181133.8 Ų133.885%0.84678%0.776SS**  trans125.9118.9138-56.2-154.1167.800117.1
303D52.1Low49.6Very low151 Ų151133.9 Ų133.981%0.80776%0.763SS**  trans-58.2132.2172-56.3-71.5000111.3
304D53.4Low51.1Low171 Ų171133.6 Ų133.691%0.91475%0.753SS**  trans-123.5108.3164.2-91.3-43.1000110.8
305E51.1Low52.8Low175 Ų175136 Ų13682%0.81876%0.755SS**  trans-54.1141.9177.4-66.6-71.8167.500112.8S307E305-S307 PolarHBondContact O-N 3.02Å
306A49.9Very low54.3Low99 Ų99134 Ų13482%0.81874%0.743SS**  trans-61.3106.2174.900000111.1D308A306-D308 PolarHBondContact O-N 3.4Å
307S46.7Very low55.9Low113 Ų113127.3 Ų127.379%0.7971%0.712SS**  trans-84.495.4165.2-159.40000109.2E305 S309E305-S307 PolarHBondContact O-N 3.02Å; S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 3.38Å
308D45.9Very low57.6Low161 Ų161125.4 Ų125.486%0.86169%0.694SS**  trans-71.887.6169.7-154.87.9000108.3A306 D310A306-D308 PolarHBondContact O-N 3.4Å; D308-D310 PolarHBondContact O-N 2.91Å
309S46.5Very low59.4Low93 Ų93130.1 Ų130.165%0.6570%0.698SS**  trans-89.788.9177.8-159.60000108.7S307 S311S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 3.38Å; S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 PolarHBondContact O-N 2.93Å; S309-S311 PolarHBondContact O-OG 2.99Å
310D53.9Low61.3Low140 Ų140128 Ų12875%0.74969%0.686SS**  trans-59.492.1171-155.27000108.8D308 E312D308-D310 PolarHBondContact O-N 2.91Å; D310-E312 PolarHBondContact O-N 2.82Å
311S54.4Low62.7Low99 Ų99128.5 Ų128.569%0.69268%0.681SS**  trans-86.8107.8176-60.20000107.1S309S309-S311 VanDerWaalsContact C-N 3.33Å; S309-S311 PolarHBondContact O-N 2.93Å; S309-S311 PolarHBondContact O-OG 2.99Å
312E67.6Low64.1Low144 Ų144125.3 Ų125.367%0.67367%0.67SS**  trans-40.6142.1174.2-63.1-74.9123.700111.5D310 D314D310-E312 PolarHBondContact O-N 2.82Å; E312-D314 PolarHBondContact O-N 3.12Å
313P59.4Low65.4Low78 Ų78118.8 Ų118.851%0.50664%0.644SS.*  trans-56.6131.9175.926.3-34000109.2Q315 E318P313-Q315 PolarHBondContact O-N 3.36Å; P313-E318 WeakPolarHBondContact CB-OE1 3.07Å
314D75.6Confident66.4Low101 Ų101116.9 Ų116.954%0.5463%0.629SS.*  trans-57.8103.8-177.6179.725.1000109.6E312 D316 S317 E318E312-D314 PolarHBondContact O-N 3.12Å; D314-D316 PolarHBondContact O-N 2.76Å; D314-S317 WeakPolarHBondContact O-CA 3.29Å; D314-S317 VanDerWaalsContact O-CB 3.3Å; D314-S317 WeakPolarHBondContact O-CB 3.44Å; D314-S317 PolarHBondContact O-N 2.98Å; D314-S317 PolarHBondContact O-OG 3.19Å; D314-E318 PolarHBondContact O-N 3.05Å
315Q77.2Confident67.4Low142 Ų142115.1 Ų115.166%0.66461%0.609SS**Hα-helixtrans-58.4-25.2-174.8-65175.315.400111.8P313 R319P313-Q315 PolarHBondContact O-N 3.36Å; Q315-R319 VanDerWaalsContact O-CB 3.24Å; Q315-R319 WeakPolarHBondContact O-CB 3.33Å; Q315-R319 PolarHBondContact O-N 3.09Å
316D77.1Confident68.7Low101 Ų101114.3 Ų114.354%0.5460%0.599SS.*Hα-helixtrans-70.1-36.8174.9-74.1-27.9000111.7D314 R319 L320D314-D316 PolarHBondContact O-N 2.76Å; D316-R319 PolarHBondContact O-N 3.24Å; D316-L320 WeakPolarHBondContact O-CB 3.48Å; D316-L320 VanDerWaalsContact O-CG 3.23Å; D316-L320 WeakPolarHBondContact O-CG 3.43Å; D316-L320 PolarHBondContact O-N 2.98Å
317S79.4Confident69.5Low40 Ų40115.6 Ų115.628%0.2860%0.597SS.*Hα-helixtrans-62.4-46.2174.3790000111.4D314 R319 L320 W321D314-S317 WeakPolarHBondContact O-CA 3.29Å; D314-S317 VanDerWaalsContact O-CB 3.3Å; D314-S317 WeakPolarHBondContact O-CB 3.44Å; D314-S317 PolarHBondContact O-N 2.98Å; D314-S317 PolarHBondContact O-OG 3.19Å; S317-R319 VanDerWaalsContact C-N 3.34Å; S317-R319 PolarHBondContact O-N 3.22Å; S317-L320 PolarHBondContact O-N 2.94Å; S317-W321 PolarHBondContact O-N 3.33Å
318E80.7Confident70.8Confident97 Ų97116.4 Ų116.445%0.45360%0.597SS.*Hα-helixtrans-67.3-35.6179-69.9170.7168.200112.1P313 D314 S322P313-E318 WeakPolarHBondContact CB-OE1 3.07Å; D314-E318 PolarHBondContact O-N 3.05Å; E318-S322 VanDerWaalsContact O-CB 3.29Å; E318-S322 WeakPolarHBondContact O-CB 3.33Å; E318-S322 PolarHBondContact O-N 2.63Å; E318-S322 PolarHBondContact O-OG 2.87Å
319R84Confident72.1Confident187 Ų187110.4 Ų110.471%0.70657%0.565SS**Hα-helixtrans-67.4-38.7174.6-174.7172.1178.7-98.4-1.3112.2Q315 D316 S317 S323Q315-R319 VanDerWaalsContact O-CB 3.24Å; Q315-R319 WeakPolarHBondContact O-CB 3.33Å; Q315-R319 PolarHBondContact O-N 3.09Å; D316-R319 PolarHBondContact O-N 3.24Å; S317-R319 VanDerWaalsContact C-N 3.34Å; S317-R319 PolarHBondContact O-N 3.22Å; R319-S323 PolarHBondContact O-N 3.07Å; R319-S323 VanDerWaalsContact O-N 3.15Å
320L83.1Confident73.4Confident105 Ų105111.6 Ų111.655%0.5557%0.57SS.*Hα-helixtrans-67.3-47.3174.3-73.1169.2000111.3D316 S317 S322 S323 F324D316-L320 WeakPolarHBondContact O-CB 3.48Å; D316-L320 VanDerWaalsContact O-CG 3.23Å; D316-L320 WeakPolarHBondContact O-CG 3.43Å; D316-L320 PolarHBondContact O-N 2.98Å; S317-L320 PolarHBondContact O-N 2.94Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 3.46Å; L320-S323 WeakPolarHBondContact O-CA 3.17Å; L320-S323 WeakPolarHBondContact O-CB 3.29Å; L320-S323 PolarHBondContact O-N 2.89Å; L320-F324 WeakPolarHBondContact O-CD2 3.33Å; L320-F324 PolarHBondContact O-N 3.12Å; L320-F324 VanDerWaalsContact O-N 3.15Å
321W79.2Confident74Confident175 Ų175114.4 Ų114.466%0.66357%0.572SS**Hα-helixtrans-58.8-39.5175.3-76.8117.8000112.5S317 S323 F324 R325S317-W321 PolarHBondContact O-N 3.33Å; W321-S323 VanDerWaalsContact C-N 3.26Å; W321-S323 PolarHBondContact O-N 3.26Å; W321-F324 PolarHBondContact O-N 2.82Å; W321-R325 WeakPolarHBondContact O-CG 3.42Å; W321-R325 PolarHBondContact O-N 2.94Å
322S78.5Confident75Confident79 Ų79109.9 Ų109.955%0.55254%0.54SS*.Hα-helixtrans-66.4-27.6174.7-60.80000112.8E318 L320E318-S322 VanDerWaalsContact O-CB 3.29Å; E318-S322 WeakPolarHBondContact O-CB 3.33Å; E318-S322 PolarHBondContact O-N 2.63Å; E318-S322 PolarHBondContact O-OG 2.87Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 3.46Å
323S77.6Confident75Confident43 Ų43108 Ų10830%0.30154%0.54SS..Hα-helixtrans-73.5-44.6176.4-167.20000112.3R319 L320 W321 R325 R326R319-S323 PolarHBondContact O-N 3.07Å; R319-S323 VanDerWaalsContact O-N 3.15Å; L320-S323 WeakPolarHBondContact O-CA 3.17Å; L320-S323 WeakPolarHBondContact O-CB 3.29Å; L320-S323 PolarHBondContact O-N 2.89Å; W321-S323 VanDerWaalsContact C-N 3.26Å; W321-S323 PolarHBondContact O-N 3.26Å; S323-R325 PolarHBondContact O-N 3.48Å; S323-R326 WeakPolarHBondContact O-CB 3.24Å; S323-R326 VanDerWaalsContact O-CG 3.31Å; S323-R326 WeakPolarHBondContact O-CG 3.08Å; S323-R326 PolarHBondContact O-N 3.44Å; S323-R326 PolarHBondContact OG-NH1 3.37Å
324F73.8Confident75.6Confident111 Ų111110.7 Ų110.749%0.48755%0.546SS..Hα-helixtrans-66.6-23.3178.6-69.5-62.7000113.6L320 W321 R326 N332L320-F324 WeakPolarHBondContact O-CD2 3.33Å; L320-F324 PolarHBondContact O-N 3.12Å; L320-F324 VanDerWaalsContact O-N 3.15Å; W321-F324 PolarHBondContact O-N 2.82Å; F324-R326 VanDerWaalsContact C-N 3.31Å; F324-N332 WeakPolarHBondContact O-CA 3.3Å
325R73.9Confident75.1Confident134 Ų134108.4 Ų108.451%0.50654%0.538SS..THydrogen-bonded Turntrans-89.26.1178.2-65.3-178.6115.5-179.35.2113.4W321 S323 T327 N332W321-R325 WeakPolarHBondContact O-CG 3.42Å; W321-R325 PolarHBondContact O-N 2.94Å; S323-R325 PolarHBondContact O-N 3.48Å; R325-T327 PolarHBondContact O-N 3.4Å; R325-N332 PolarHBondContact O-ND2 2.85Å
326R77.6Confident74.5Confident158 Ų158109.8 Ų109.860%0.59654%0.542SS*.  trans-63.2132.8174.8-74.8176.6163.7136.8-3109.4S323 F324 V328 D329 N332S323-R326 WeakPolarHBondContact O-CB 3.24Å; S323-R326 VanDerWaalsContact O-CG 3.31Å; S323-R326 WeakPolarHBondContact O-CG 3.08Å; S323-R326 PolarHBondContact O-N 3.44Å; S323-R326 PolarHBondContact OG-NH1 3.37Å; F324-R326 VanDerWaalsContact C-N 3.31Å; R326-V328 PolarHBondContact O-N 3.4Å; R326-D329 HydrophobicContact CB-CB 4.34Å; R326-D329 WeakPolarHBondContact O-CB 3.44Å; R326-D329 PolarHBondContact O-N 2.84Å; R326-N332 PolarHBondContact O-ND2 2.88Å
327T66.9Low73.6Confident126 Ų126111.2 Ų111.277%0.77356%0.555SS**THydrogen-bonded Turntrans-66.7-4.4-178.853.10000114R325R325-T327 PolarHBondContact O-N 3.4Å
328V75Confident72.3Confident130 Ų130112 Ų11279%0.78856%0.563SS**THydrogen-bonded Turntrans-111.60.1177.8-1720000111.3R326 P330R326-V328 PolarHBondContact O-N 3.4Å; V328-P330 WeakPolarHBondContact O-CD 3.34Å
329D72.9Confident70.9Confident35 Ų35114.7 Ų114.719%0.18758%0.576CS.*  trans-78.5118.3175.5-174.4-14000109.8R326 Y331 N332R326-D329 HydrophobicContact CB-CB 4.34Å; R326-D329 WeakPolarHBondContact O-CB 3.44Å; R326-D329 PolarHBondContact O-N 2.84Å; D329-Y331 PolarHBondContact O-N 3Å; D329-Y331 VanDerWaalsContact O-N 3.14Å; D329-Y331 PolarHBondContact OD1-N 3.03Å; D329-N332 HydrophobicContact CB-CB 4.18Å; D329-N332 WeakPolarHBondContact O-CB 3.47Å; D329-N332 PolarHBondContact O-N 2.84Å
330P73.6Confident69.2Low119 Ų119112.9 Ų112.977%0.77358%0.579SS**THydrogen-bonded Turntrans-60.7-20.2178.4-1931000114V328V328-P330 WeakPolarHBondContact O-CD 3.34Å
331Y67.5Low67.2Low199 Ų199115.5 Ų115.578%0.7859%0.588SS**THydrogen-bonded Turntrans-102.611.8178.1-61.2-78.2000112.7D329 P333D329-Y331 PolarHBondContact O-N 3Å; D329-Y331 VanDerWaalsContact O-N 3.14Å; D329-Y331 PolarHBondContact OD1-N 3.03Å; Y331-P333 WeakPolarHBondContact O-CD 3.23Å; Y331-P333 VanDerWaalsContact O-N 3.15Å
332N73.4Confident65.5Low4 Ų4113.7 Ų113.72%0.02160%0.597CS.*  trans-60.6119.1174.5-176.4-15.8000109.5F324 R325 R326 D329 Q334 S335F324-N332 WeakPolarHBondContact O-CA 3.3Å; R325-N332 PolarHBondContact O-ND2 2.85Å; R326-N332 PolarHBondContact O-ND2 2.88Å; D329-N332 HydrophobicContact CB-CB 4.18Å; D329-N332 WeakPolarHBondContact O-CB 3.47Å; D329-N332 PolarHBondContact O-N 2.84Å; N332-Q334 PolarHBondContact O-N 3.17Å; N332-Q334 WeakPolarHBondContact OD1-CB 3.44Å; N332-Q334 PolarHBondContact OD1-N 3.1Å; N332-S335 PolarHBondContact O-N 3.06Å
333P68.6Low63.5Low104 Ų104113.1 Ų113.168%0.67560%0.603SS**THydrogen-bonded Turntrans-62.5-19-178.125.2-34.9000113Y331 S335Y331-P333 WeakPolarHBondContact O-CD 3.23Å; Y331-P333 VanDerWaalsContact O-N 3.15Å; P333-S335 VanDerWaalsContact C-N 3.34Å
334Q71.1Confident61.6Low134 Ų134122.6 Ų122.663%0.62663%0.633SS**THydrogen-bonded Turntrans-84.2-9.5175.7-58.8-178-24.500113.2N332N332-Q334 PolarHBondContact O-N 3.17Å; N332-Q334 WeakPolarHBondContact OD1-CB 3.44Å; N332-Q334 PolarHBondContact OD1-N 3.1Å
335S65.8Low59.6Low54 Ų54123.3 Ų123.338%0.37865%0.65SS.*SBendtrans-109.65.1-176.8-550000113.1N332 P333 T337N332-S335 PolarHBondContact O-N 3.06Å; P333-S335 VanDerWaalsContact C-N 3.34Å; S335-T337 PolarHBondContact O-N 2.87Å
336F64.8Low57.8Low171 Ų171122.3 Ų122.375%0.7566%0.661SS**  trans-69.299.2178.2-166.3-100.1000110.3A338F336-A338 HydrophobicContact CD1-CB 3.93Å; F336-A338 HydrophobicContact CE1-CB 3.23Å; F336-A338 HydrophobicContact CZ-CB 3.67Å
337T58Low55.8Low131 Ų131120.5 Ų120.580%0.80467%0.673SS**  trans-106.569.4175.242.70000108.6S335 E339S335-T337 PolarHBondContact O-N 2.87Å; T337-E339 PolarHBondContact O-N 3.49Å
338A53.3Low54Low55 Ų55119.1 Ų119.146%0.45567%0.674SS.*  trans-75.8103.9167.200000108.9F336 L340F336-A338 HydrophobicContact CD1-CB 3.93Å; F336-A338 HydrophobicContact CE1-CB 3.23Å; F336-A338 HydrophobicContact CZ-CB 3.67Å; A338-L340 PolarHBondContact O-N 3.48Å
339E49.7Very low52Low154 Ų154120.2 Ų120.272%0.7268%0.675SS**  trans-62.5102.2163.9-84.1-178.5147.700108.9T337 H341T337-E339 PolarHBondContact O-N 3.49Å; E339-H341 VanDerWaalsContact C-N 3.25Å; E339-H341 PolarHBondContact O-N 3.43Å; E339-H341 PolarHBondContact O-ND1 3.2Å; E339-H341 IonicContact OE2-CE1 3.44Å; E339-H341 PolarHBondContact OE2-CE1 3.12Å; E339-H341 IonicContact OE2-NE2 3.92Å
340L49.3Very low50.6Low150 Ų150124.1 Ų124.179%0.78570%0.702SS**  trans-65.890.6165-65.1173.4000107.6A338 T342A338-L340 PolarHBondContact O-N 3.48Å; L340-T342 PolarHBondContact O-N 3.17Å; L340-T342 PolarHBondContact O-OG1 3.45Å
341H41.2Very low48.5Very low159 Ų159124 Ų12474%0.73670%0.704SS**  trans-65.378.2175-75.476.5000110.1E339E339-H341 VanDerWaalsContact C-N 3.25Å; E339-H341 PolarHBondContact O-N 3.43Å; E339-H341 PolarHBondContact O-ND1 3.2Å; E339-H341 IonicContact OE2-CE1 3.44Å; E339-H341 PolarHBondContact OE2-CE1 3.12Å; E339-H341 IonicContact OE2-NE2 3.92Å
342T43.2Very low46.8Very low137 Ų137120.8 Ų120.884%0.8471%0.706SS**  trans-108.371.316747.80000107.7L340L340-T342 PolarHBondContact O-N 3.17Å; L340-T342 PolarHBondContact O-OG1 3.45Å
343G37.1Very low45.2Very low67 Ų67126.5 Ų126.569%0.69174%0.743SS**SBendtrans171.5102.117800000115.9
344R36.5Very low43.3Very low243 Ų243129.9 Ų129.992%0.91775%0.75SS**  trans37.295.6149.9-164174.8-173.8174.40.8117.4P346R344-P346 WeakPolarHBondContact O-CD 3.46Å
345C31.6Very low41.6Very low125 Ų125127.8 Ų127.885%0.84576%0.755SS**PPolyproline II helixtrans-74.8124.7168.6-157.10000111
346P36.8Very low40.1Very low113 Ų113131.9 Ų131.973%0.73477%0.773SS**PPolyproline II helixtrans-75131.6163.828.8-29.2000110.2R344R344-P346 WeakPolarHBondContact O-CD 3.46Å
347S35.2Very low38.8Very low121 Ų121129.1 Ų129.185%0.84677%0.772SS**PPolyproline II helixtrans-55.3131179.2-173.80000112.3
348A30.4Very low37.7Very low96 Ų96127.1 Ų127.179%0.79377%0.769SS**  trans-134.3126.5166.500000109.8
349D32.4Very low37.1Very low154 Ų154130 Ų13082%0.82478%0.783SS**  trans-65.7159.5-178.5-77.6-46.9000114
350P44.1Very low36.5Very low116 Ų116128.2 Ų128.275%0.75379%0.788SS**  trans-89.8131.5-173.434.4-31.5000112.6
351S29.2Very low35.8Very low116 Ų116129.1 Ų129.181%0.81179%0.793SS**  trans-157.1113.1161.5-77.10000113.3
352T31Very low35.4Very low133 Ų133126 Ų12682%0.81679%0.794SS**  trans76.1129.6146-44.50000119.5
353P39.2Very low35Very low124 Ų124124.2 Ų124.281%0.80579%0.793SS**  trans-89.2131.4-172.935.5-30.8000111.6
354Q30.5Very low34.7Very low174 Ų174126.2 Ų126.281%0.81380%0.796SS**  trans-117.4115.4165.9-164.7171.3-58.500108.7
355A34.6Very low34.7Very low90 Ų90120.3 Ų120.374%0.74479%0.793SS**  trans-68.3138.9172.500000110.1
356D33.6Very low34.9Very low141 Ų141119.6 Ų119.675%0.75479%0.789SS**  trans-156.4161.7160.8-96.1-35.1000110.1
357P38.5Very low35.2Very low112 Ų112119.9 Ų119.973%0.72779%0.791SS**  trans-95.6152.9-133.235.2-36.1000115
358A35.4Very low35.7Very low90 Ų90119.8 Ų119.874%0.74479%0.79SS**  trans-65.1130.3172.500000112S360A358-S360 PolarHBondContact O-N 3.5Å
359P39.2Very low35.9Very low116 Ų116120.9 Ų120.975%0.75379%0.792SS**  trans-77.2112.7165.529.3-29.4000109.6L361P359-L361 PolarHBondContact O-N 2.96Å
360S36.8Very low36.6Very low116 Ų116122 Ų12281%0.81179%0.792SS**  trans-69.6110.3169-51.50000109.6A358 A362A358-S360 PolarHBondContact O-N 3.5Å; S360-A362 PolarHBondContact O-N 2.77Å
361L35.8Very low36.5Very low169 Ų169122.3 Ų122.389%0.88579%0.787SS**  trans-85.6101.4167.8-66.4178.1000108.4P359 A363P359-L361 PolarHBondContact O-N 2.96Å; L361-A363 PolarHBondContact O-N 3.32Å
362A32.9Very low37.3Very low92 Ų92122.8 Ų122.876%0.7679%0.786SS**  trans-60.1128.2167.800000109.4S360 S364S360-A362 PolarHBondContact O-N 2.77Å; A362-S364 PolarHBondContact O-N 3.05Å; A362-S364 VanDerWaalsContact O-N 3.12Å
363A35.2Very low38.1Very low100 Ų100126.7 Ų126.783%0.82679%0.785SS**  trans-58.9110.7170.700000109.9L361L361-A363 PolarHBondContact O-N 3.32Å
364S30.2Very low38.4Very low109 Ų109127.6 Ų127.676%0.76278%0.784SS**  trans-94.9105.1162.6520000108.3A362A362-S364 PolarHBondContact O-N 3.05Å; A362-S364 VanDerWaalsContact O-N 3.12Å
365S37Very low39.3Very low120 Ų120125.6 Ų125.684%0.83978%0.778SS**  trans-55.9132.6170.7-39.50000110.4
366S35Very low40.2Very low110 Ų110125.8 Ų125.877%0.76977%0.774SS**  trans-116.8151.6168-82.80000111.4
367P42.3Very low41.1Very low119 Ų119122.2 Ų122.277%0.77376%0.764SS**  trans-80.4145.5-159.532.1-34.5000112.8S369P367-S369 PolarHBondContact O-N 3.41Å; P367-S369 VanDerWaalsContact O-N 3.15Å
368S46.2Very low41.6Very low119 Ų119122.9 Ų122.983%0.83277%0.772SS**  trans-26.9104.6164.4-176.70000114.4
369S34.8Very low42.2Very low118 Ų118122.9 Ų122.983%0.82577%0.772SS**  trans-104.5119.2150.2-103.20000107.2P367 D371P367-S369 PolarHBondContact O-N 3.41Å; P367-S369 VanDerWaalsContact O-N 3.15Å; S369-D371 PolarHBondContact O-N 2.9Å
370Q46.8Very low42.6Very low179 Ų179122.3 Ų122.384%0.83677%0.771SS**  trans-72.293.9-179.1-178.4162.47.600108.8
371D43.5Very low43.6Very low121 Ų121126.4 Ų126.465%0.64778%0.777SS**  trans-121.5100.2167.2-149.121.3000106.7S369 W373S369-D371 PolarHBondContact O-N 2.9Å; D371-W373 VanDerWaalsContact C-N 3.32Å; D371-W373 PolarHBondContact O-N 3.32Å; D371-W373 PolarHBondContact OD2-NE1 3.15Å
372T44.8Very low44.9Very low126 Ų126121.9 Ų121.977%0.77376%0.764SS**  trans-75.784.8-177.441.30000109.5
373W47.4Very low47Very low215 Ų215121.7 Ų121.781%0.81475%0.75SS**  trans-83110.3158.8-67.788000107.3D371 D375D371-W373 VanDerWaalsContact C-N 3.32Å; D371-W373 PolarHBondContact O-N 3.32Å; D371-W373 PolarHBondContact OD2-NE1 3.15Å; W373-D375 PolarHBondContact O-N 3.06Å
374D45.3Very low49.3Very low144 Ų144124.2 Ų124.277%0.7775%0.745SS**  trans-73.576.7170.2-168.75000108.3S376D374-S376 PolarHBondContact O-N 2.98Å; D374-S376 PolarHBondContact OD1-OG 2.75Å
375D50.5Low51.7Low131 Ų131121 Ų12170%0.70173%0.725SS**  trans-7868.3170.6-170.828.1000108.9W373 A377W373-D375 PolarHBondContact O-N 3.06Å; D375-A377 PolarHBondContact O-N 3.03Å
376S52.3Low53.9Low94 Ų94120.8 Ų120.866%0.65771%0.711SS**  trans-80.224.7172.5-79.70000112.2D374 S378D374-S376 PolarHBondContact O-N 2.98Å; D374-S376 PolarHBondContact OD1-OG 2.75Å; S376-S378 PolarHBondContact O-N 2.93Å
377A52.7Low56.3Low66 Ų66118.4 Ų118.455%0.54569%0.694SS.*  trans-75.9104.1160.800000107.8D375 A379D375-A377 PolarHBondContact O-N 3.03Å; A377-A379 PolarHBondContact O-N 3.38Å
378S49.8Very low58.1Low127 Ų127117.1 Ų117.189%0.88868%0.678SS**  trans-62.775168.4-67.50000110.7S376 S380S376-S378 PolarHBondContact O-N 2.93Å; S378-S380 PolarHBondContact O-N 2.99Å
379A47.7Very low60Low90 Ų90119.3 Ų119.374%0.74467%0.668SS**  trans-75.8101.7156.300000105.5A377 E381A377-A379 PolarHBondContact O-N 3.38Å; A379-E381 PolarHBondContact O-N 3.14Å
380S48.6Very low62.4Low104 Ų104117.9 Ų117.973%0.72765%0.65SS**  trans-48.3132.5171.166.40000108.2S378 A382S378-S380 PolarHBondContact O-N 2.99Å; S380-A382 PolarHBondContact O-N 2.9Å
381E57.4Low64Low201 Ų201114.5 Ų114.594%0.93964%0.637SS**  trans-51.382.5173.4-59.7173.1122.400110A379 D383A379-E381 PolarHBondContact O-N 3.14Å; E381-D383 PolarHBondContact O-N 3.07Å
382A63.6Low65.7Low74 Ų74116.2 Ų116.261%0.61264%0.635SS**  trans-72.6116.4169.800000104.9S380 E384S380-A382 PolarHBondContact O-N 2.9Å; A382-E384 PolarHBondContact O-N 3.43Å
383D76.3Confident67.3Low88 Ų88113 Ų11347%0.47162%0.617SS.*  trans-47109.7-179.8177.946.2000109.5E381 A385 E386 S387E381-D383 PolarHBondContact O-N 3.07Å; D383-A385 PolarHBondContact O-N 3.11Å; D383-A385 WeakPolarHBondContact OD2-CB 3.38Å; D383-E386 HydrophobicContact CB-CB 4.15Å; D383-E386 WeakPolarHBondContact O-CA 3.26Å; D383-E386 WeakPolarHBondContact O-CB 3.36Å; D383-E386 PolarHBondContact O-N 3.21Å; D383-E386 PolarHBondContact OD2-N 2.85Å; D383-E386 VanDerWaalsContact OD2-N 3.11Å; D383-S387 PolarHBondContact O-N 3.14Å
384E82.3Confident68.4Low154 Ų154108.8 Ų108.872%0.7261%0.605SS**Hα-helixtrans-56.9-25.7-178.4-68.1-166.5130.600110.8A382 Q388A382-E384 PolarHBondContact O-N 3.43Å; E384-Q388 WeakPolarHBondContact O-CB 3.3Å; E384-Q388 VanDerWaalsContact O-CG 3.31Å; E384-Q388 WeakPolarHBondContact O-CG 3.4Å; E384-Q388 PolarHBondContact O-N 3.39Å
385A81.8Confident69.8Low42 Ų42104.9 Ų104.935%0.34759%0.589SS.*Hα-helixtrans-70.9-34.7174.300000113.3D383 R389D383-A385 PolarHBondContact O-N 3.11Å; D383-A385 WeakPolarHBondContact OD2-CB 3.38Å; A385-R389 VanDerWaalsContact O-CG 3.25Å; A385-R389 WeakPolarHBondContact O-CG 3.44Å; A385-R389 PolarHBondContact O-N 3.2Å
386E83.6Confident70.8Confident115 Ų115101.6 Ų101.654%0.53757%0.574SS.*Hα-helixtrans-70.3-43.3171-172.1174.1-175.300111.3D383 Q388 R389 L390D383-E386 HydrophobicContact CB-CB 4.15Å; D383-E386 WeakPolarHBondContact O-CA 3.26Å; D383-E386 WeakPolarHBondContact O-CB 3.36Å; D383-E386 PolarHBondContact O-N 3.21Å; D383-E386 PolarHBondContact OD2-N 2.85Å; D383-E386 VanDerWaalsContact OD2-N 3.11Å; E386-Q388 VanDerWaalsContact C-N 3.34Å; E386-Q388 PolarHBondContact O-N 3.38Å; E386-R389 WeakPolarHBondContact O-CB 3.48Å; E386-R389 PolarHBondContact O-N 3.5Å; E386-L390 HydrophobicContact CG-CD1 4.32Å; E386-L390 WeakPolarHBondContact O-CG 3.46Å; E386-L390 PolarHBondContact O-N 2.87Å
387S84.4Confident71.5Confident60 Ų60101.8 Ų101.842%0.4258%0.575SS.*Hα-helixtrans-55.5-47.7173.5174.80000111.6D383 R389 L390 L391D383-S387 PolarHBondContact O-N 3.14Å; S387-R389 VanDerWaalsContact C-N 3.32Å; S387-R389 PolarHBondContact O-N 2.93Å; S387-L390 PolarHBondContact O-N 2.94Å; S387-L391 WeakPolarHBondContact O-CG 3.28Å; S387-L391 PolarHBondContact O-N 3.48Å
388Q81.1Confident72.5Confident92 Ų92106.4 Ų106.443%0.4359%0.59SS.*Hα-helixtrans-66.4-30.9175.7-74.2-17035.900113.4E384 E386 R392E384-Q388 WeakPolarHBondContact O-CB 3.3Å; E384-Q388 VanDerWaalsContact O-CG 3.31Å; E384-Q388 WeakPolarHBondContact O-CG 3.4Å; E384-Q388 PolarHBondContact O-N 3.39Å; E386-Q388 VanDerWaalsContact C-N 3.34Å; E386-Q388 PolarHBondContact O-N 3.38Å; Q388-R392 WeakPolarHBondContact O-CB 3.08Å; Q388-R392 VanDerWaalsContact O-CG 3.23Å; Q388-R392 WeakPolarHBondContact O-CG 3.4Å; Q388-R392 PolarHBondContact O-N 3.2Å
389R86Confident73.7Confident165 Ų165102.9 Ų102.962%0.62356%0.561SS**Hα-helixtrans-69.2-41.4174.2-78.4174.8-173.8125.6-0.4111.5A385 E386 S387 R392 S393A385-R389 VanDerWaalsContact O-CG 3.25Å; A385-R389 WeakPolarHBondContact O-CG 3.44Å; A385-R389 PolarHBondContact O-N 3.2Å; E386-R389 WeakPolarHBondContact O-CB 3.48Å; E386-R389 PolarHBondContact O-N 3.5Å; S387-R389 VanDerWaalsContact C-N 3.32Å; S387-R389 PolarHBondContact O-N 2.93Å; R389-R392 PolarHBondContact O-N 3.38Å; R389-S393 PolarHBondContact O-N 3.35Å
390L83.8Confident75Confident87 Ų87103.9 Ų103.946%0.45556%0.56SS.*Hα-helixtrans-63.9-46.1175.6-70.4170.5000111.2E386 S387 R392 S393 F394E386-L390 HydrophobicContact CG-CD1 4.32Å; E386-L390 WeakPolarHBondContact O-CG 3.46Å; E386-L390 PolarHBondContact O-N 2.87Å; S387-L390 PolarHBondContact O-N 2.94Å; L390-R392 VanDerWaalsContact C-N 3.29Å; L390-R392 PolarHBondContact O-N 3.44Å; L390-S393 WeakPolarHBondContact CA-OG 3.4Å; L390-S393 PolarHBondContact O-N 2.87Å; L390-S393 PolarHBondContact O-OG 2.78Å; L390-F394 HydrophobicContact CB-CE2 4.5Å; L390-F394 WeakPolarHBondContact O-CD2 3.36Å; L390-F394 PolarHBondContact O-N 3.17Å; L390-F394 VanDerWaalsContact O-N 3.12Å
391L81.3Confident75.8Confident108 Ų108108.6 Ų108.657%0.56556%0.563SS**Hα-helixtrans-58.8-40.5174.9-71.7172.1000112S387 F394 S395S387-L391 WeakPolarHBondContact O-CG 3.28Å; S387-L391 PolarHBondContact O-N 3.48Å; L391-F394 PolarHBondContact O-N 2.85Å; L391-S395 WeakPolarHBondContact O-CB 3.23Å; L391-S395 PolarHBondContact O-N 3.04Å; L391-S395 PolarHBondContact O-OG 2.89Å
392R80Confident76.6Confident157 Ų15799.2 Ų99.259%0.59252%0.52SS*.Hα-helixtrans-67.1-32.5174.6-74.3179-170.8114.46.7112.7Q388 R389 L390 S395Q388-R392 WeakPolarHBondContact O-CB 3.08Å; Q388-R392 VanDerWaalsContact O-CG 3.23Å; Q388-R392 WeakPolarHBondContact O-CG 3.4Å; Q388-R392 PolarHBondContact O-N 3.2Å; R389-R392 PolarHBondContact O-N 3.38Å; L390-R392 VanDerWaalsContact C-N 3.29Å; L390-R392 PolarHBondContact O-N 3.44Å; R392-S395 PolarHBondContact O-N 3.42Å
393S77.1Confident76.8Confident58 Ų58100.3 Ų100.341%0.40652%0.521SS..Hα-helixtrans-69.3-38.1176.261.90000113.5R389 L390 S395 T396R389-S393 PolarHBondContact O-N 3.35Å; L390-S393 WeakPolarHBondContact CA-OG 3.4Å; L390-S393 PolarHBondContact O-N 2.87Å; L390-S393 PolarHBondContact O-OG 2.78Å; S393-S395 VanDerWaalsContact C-N 3.27Å; S393-S395 PolarHBondContact O-N 3.4Å; S393-T396 WeakPolarHBondContact O-CG2 3.4Å; S393-T396 PolarHBondContact O-OG1 3.29Å
394F71.6Confident76.6Confident127 Ų127102.3 Ų102.356%0.55753%0.531SS*.Hα-helixtrans-73-22175.8-67.8-66.1000113.2L390 L391 T396 S402L390-F394 HydrophobicContact CB-CE2 4.5Å; L390-F394 WeakPolarHBondContact O-CD2 3.36Å; L390-F394 PolarHBondContact O-N 3.17Å; L390-F394 VanDerWaalsContact O-N 3.12Å; L391-F394 PolarHBondContact O-N 2.85Å; F394-T396 VanDerWaalsContact C-N 3.31Å; F394-T396 PolarHBondContact O-N 3.45Å; F394-S402 PolarHBondContact O-OG 3.21Å
395S74.6Confident76Confident63 Ų6398.4 Ų98.444%0.44152%0.515SS..THydrogen-bonded Turntrans-91.617.3-179.3-530000113.2L391 R392 S393 S397L391-S395 WeakPolarHBondContact O-CB 3.23Å; L391-S395 PolarHBondContact O-N 3.04Å; L391-S395 PolarHBondContact O-OG 2.89Å; R392-S395 PolarHBondContact O-N 3.42Å; S393-S395 VanDerWaalsContact C-N 3.27Å; S393-S395 PolarHBondContact O-N 3.4Å; S395-S397 PolarHBondContact O-N 3.46Å
396T71.2Confident75.4Confident62 Ų62104.8 Ų104.838%0.3854%0.535SS..  trans-72.9121.2179.254.20000110.4S393 F394 L398 D399S393-T396 WeakPolarHBondContact O-CG2 3.4Å; S393-T396 PolarHBondContact O-OG1 3.29Å; F394-T396 VanDerWaalsContact C-N 3.31Å; F394-T396 PolarHBondContact O-N 3.45Å; T396-L398 PolarHBondContact O-N 2.71Å; T396-L398 VanDerWaalsContact O-N 3.09Å; T396-D399 PolarHBondContact O-N 3.03Å; T396-D399 WeakPolarHBondContact OG1-CB 3.31Å
397S67.4Low74.6Confident97 Ų97108.1 Ų108.168%0.67855%0.551SS**THydrogen-bonded Turntrans-67.1-10.6-179.657.20000113.9S395 N405S395-S397 PolarHBondContact O-N 3.46Å; S397-N405 WeakPolarHBondContact CA-ND2 3.4Å; S397-N405 PolarHBondContact O-ND2 3.06Å
398L73.6Confident73.8Confident164 Ų164107.6 Ų107.686%0.85955%0.55SS**THydrogen-bonded Turntrans-90.5-7.4174.9-114.283.1000113.6T396 P400T396-L398 PolarHBondContact O-N 2.71Å; T396-L398 VanDerWaalsContact O-N 3.09Å; L398-P400 VanDerWaalsContact O-CD 3.3Å; L398-P400 WeakPolarHBondContact O-CD 3.21Å
399D75.1Confident72.6Confident52 Ų52108.9 Ų108.928%0.27857%0.566SS.*  trans-83.6113.1177.3-178.72.5000110T396 Y401 S402T396-D399 PolarHBondContact O-N 3.03Å; T396-D399 WeakPolarHBondContact OG1-CB 3.31Å; D399-Y401 PolarHBondContact O-N 3.34Å; D399-Y401 VanDerWaalsContact O-N 3.17Å; D399-Y401 PolarHBondContact OD1-N 2.93Å; D399-S402 WeakPolarHBondContact O-CB 3.42Å; D399-S402 PolarHBondContact O-N 3.44Å
400P74.7Confident71.2Confident112 Ų112108.2 Ų108.273%0.72757%0.574SS**THydrogen-bonded Turntrans-66.6-11.2178.828.3-34.2000113.4L398L398-P400 VanDerWaalsContact O-CD 3.3Å; L398-P400 WeakPolarHBondContact O-CD 3.21Å
401Y65.7Low70Confident203 Ų203115.6 Ų115.680%0.79660%0.596SS**THydrogen-bonded Turntrans-10911.4174.3-58.6-75.8000112.9D399D399-Y401 PolarHBondContact O-N 3.34Å; D399-Y401 VanDerWaalsContact O-N 3.17Å; D399-Y401 PolarHBondContact OD1-N 2.93Å
402S73.5Confident68.6Low3 Ų3116.5 Ų116.52%0.02161%0.606CS.*  trans-61.6127.6175.8-178.10000109.8F394 D399 L404 N405F394-S402 PolarHBondContact O-OG 3.21Å; D399-S402 WeakPolarHBondContact O-CB 3.42Å; D399-S402 PolarHBondContact O-N 3.44Å; S402-L404 PolarHBondContact O-N 3.45Å; S402-L404 VanDerWaalsContact O-N 3.1Å; S402-L404 PolarHBondContact OG-N 2.94Å; S402-N405 PolarHBondContact O-N 3.46Å
403P68.4Low67Low98 Ų98120.6 Ų120.664%0.63662%0.622SS**G310 helixtrans-61.8-21.2178.623.3-32000112.5N405P403-N405 VanDerWaalsContact C-N 3.33Å
404L72.3Confident65.8Low129 Ų129120.4 Ų120.468%0.67563%0.629SS**G310 helixtrans-81.8-10.5176.9-58.5179.6000113.2S402S402-L404 PolarHBondContact O-N 3.45Å; S402-L404 VanDerWaalsContact O-N 3.1Å; S402-L404 PolarHBondContact OG-N 2.94Å
405N69.3Low64.7Low72 Ų72120.8 Ų120.839%0.38564%0.644SS.*G310 helixtrans-110.619.2-179.5-79-23.7000113.1S397 S402 P403 Q407S397-N405 WeakPolarHBondContact CA-ND2 3.4Å; S397-N405 PolarHBondContact O-ND2 3.06Å; S402-N405 PolarHBondContact O-N 3.46Å; P403-N405 VanDerWaalsContact C-N 3.33Å; N405-Q407 PolarHBondContact O-N 3.4Å
406F70.1Confident63.5Low176 Ų176122.9 Ų122.977%0.77267%0.666SS**  trans-70.190.8-179.1-151.1-99.6000111.2A408F406-A408 VanDerWaalsContact C-N 3.29Å; F406-A408 HydrophobicContact CD1-CB 3.76Å; F406-A408 HydrophobicContact CE1-CB 3.71Å; F406-A408 PolarHBondContact O-N 2.9Å; F406-A408 VanDerWaalsContact O-N 3.12Å
407Q66.5Low62.4Low186 Ų186122.9 Ų122.987%0.86968%0.677SS**  trans-84.674.5171.5-70.3179.7-8.700109.1N405 P409N405-Q407 PolarHBondContact O-N 3.4Å; Q407-P409 WeakPolarHBondContact O-CD 3.37Å
408A66.3Low61.4Low49 Ų49124.3 Ų124.341%0.40569%0.685SS.*  trans-78.3125.4165.700000109F406 L410F406-A408 VanDerWaalsContact C-N 3.29Å; F406-A408 HydrophobicContact CD1-CB 3.76Å; F406-A408 HydrophobicContact CE1-CB 3.71Å; F406-A408 PolarHBondContact O-N 2.9Å; F406-A408 VanDerWaalsContact O-N 3.12Å; A408-L410 PolarHBondContact O-N 3.09Å
409P56.3Low60Low118 Ų118122.7 Ų122.777%0.76668%0.684SS**  trans-59.6109165.7-19.631.9000108.2Q407 R411Q407-P409 WeakPolarHBondContact O-CD 3.37Å; P409-R411 VanDerWaalsContact C-N 3.31Å; P409-R411 PolarHBondContact O-N 2.89Å
410L56.3Low58.3Low152 Ų152125.4 Ų125.480%0.79671%0.707SS**  trans-6694.6173.1-64.9175.1000107.7A408 T412A408-L410 PolarHBondContact O-N 3.09Å; L410-T412 PolarHBondContact O-N 3.04Å
411R59.7Low56.9Low241 Ų241131.7 Ų131.791%0.90972%0.716SS**  trans-75.471.3167.6-69.2-177.183.9159.34.1108.2P409 R413P409-R411 VanDerWaalsContact C-N 3.31Å; P409-R411 PolarHBondContact O-N 2.89Å; R411-R413 PolarHBondContact O-N 3.28Å
412T51.8Low55.6Low127 Ų127128.5 Ų128.578%0.77972%0.718SS**  trans-69.7129.1159.756.40000107.3L410 G414L410-T412 PolarHBondContact O-N 3.04Å; T412-G414 PolarHBondContact O-N 3.39Å; T412-G414 VanDerWaalsContact O-N 3.1Å
413R45.5Very low54.2Low243 Ų243140.4 Ų140.492%0.91776%0.762SS**  trans-62.1107.4-169.8175.4178.5157179.1-6.4110.8R411R411-R413 PolarHBondContact O-N 3.28Å
414G51.9Low52.5Low54 Ų54140.2 Ų140.256%0.55777%0.769SS**  trans-71.6153.216300000111.4T412 A416T412-G414 PolarHBondContact O-N 3.39Å; T412-G414 VanDerWaalsContact O-N 3.1Å; G414-A416 PolarHBondContact O-N 2.94Å
415P48.3Very low50.8Low135 Ų135136.9 Ų136.988%0.87777%0.766SS**  trans-61.6136.4-174.623.7-32.1000111.8G417P415-G417 PolarHBondContact O-N 3.39Å; P415-G417 VanDerWaalsContact O-N 3.17Å
416A49Very low49.8Very low108 Ų108142.9 Ų142.989%0.89379%0.791SS**  trans-66.6109-178.300000110.8G414G414-A416 PolarHBondContact O-N 2.94Å
417G47.9Very low48.4Very low61 Ų61141.7 Ų141.763%0.62979%0.788SS**  trans-123.6147.3167.400000110.8P415P415-G417 PolarHBondContact O-N 3.39Å; P415-G417 VanDerWaalsContact O-N 3.17Å
418P48.2Very low47.3Very low128 Ų128141.2 Ų141.283%0.83179%0.791SS**  trans-72.8148-173.829.6-33.9000112.3S420P418-S420 PolarHBondContact O-N 3.29Å
419P43.8Very low46.1Very low130 Ų130144.9 Ų144.984%0.84480%0.804SS**  trans-75.7113.6-172.828.8-33.5000112.4
420S38.7Very low45.4Very low109 Ų109145.6 Ų145.676%0.76281%0.806SS**  trans-85.4115.2165.8-170.30000110P418 T422P418-S420 PolarHBondContact O-N 3.29Å; S420-T422 PolarHBondContact O-N 3.15Å
421R45.8Very low44.9Very low244 Ų244143.6 Ų143.692%0.92180%0.8SS**  trans-70.2110.3173.3-79.5169.169.9-158.85.4109.6
422T38.7Very low44.4Very low135 Ų135137 Ų13783%0.82879%0.788SS**  trans-126.3129.6150.745.30000109.3S420S420-T422 PolarHBondContact O-N 3.15Å
423R43.3Very low44.4Very low253 Ų253136.6 Ų136.696%0.95579%0.788SS**  trans-90.5112.9-172.1170.6-176.2165.8-172.4-3.1108.7
424A33.5Very low44.2Very low95 Ų95133.6 Ų133.679%0.78578%0.784SS**  trans-165.9124.8152.500000111
425G36.8Very low43.9Very low59 Ų59139.9 Ų139.961%0.60879%0.792SS**SBendtrans78.1103.6147.900000119.3
426H47Very low44.2Very low197 Ų197141.2 Ų141.291%0.91278%0.78SS**  trans59.791151.2-62.2-93.8000118
427Q40.3Very low44.5Very low152 Ų152144.6 Ų144.671%0.7177%0.77SS**  trans-129.3101.4166.1-40.9-165.835.300108.1L429Q427-L429 HydrophobicContact CB-CD1 4.21Å; Q427-L429 HydrophobicContact CB-CG 4.2Å; Q427-L429 PolarHBondContact O-N 3.04Å; Q427-L429 VanDerWaalsContact O-N 3.09Å
428N43.7Very low45Very low175 Ų175148 Ų14894%0.93677%0.769SS**  trans-74.781.5154-91.1-28.1000106.2
429L41.2Very low45.3Very low126 Ų126148.8 Ų148.866%0.6676%0.762SS**  trans-96.5109.6163.4-77.8169.4000106.9Q427 V431Q427-L429 HydrophobicContact CB-CD1 4.21Å; Q427-L429 HydrophobicContact CB-CG 4.2Å; Q427-L429 PolarHBondContact O-N 3.04Å; Q427-L429 VanDerWaalsContact O-N 3.09Å; L429-V431 PolarHBondContact O-N 2.89Å
430T41.3Very low45.8Very low134 Ų134144.4 Ų144.482%0.82274%0.736SS**  trans-47.195.4168.4-49.70000110.2
431V46.5Very low46.6Very low109 Ų109145.5 Ų145.566%0.66173%0.73SS**  trans-62.6134.6150.5-172.10000105.4L429L429-V431 PolarHBondContact O-N 2.89Å
432P49.9Very low47.1Very low103 Ų103141.8 Ų141.867%0.66972%0.723SS**  trans-52.6127.3165.8-15.527.3000106.4E434P432-E434 PolarHBondContact O-N 3.07Å
433P51.5Low48Very low119 Ų119145.3 Ų145.377%0.77372%0.721SS**  trans-55111.8-175.721.6-31.4000107.8Y435P433-Y435 PolarHBondContact O-N 2.91Å
434E41.9Very low48.7Very low180 Ų180140.6 Ų140.684%0.84171%0.714SS**  trans-64106.7176-165.6177-160.100104.9P432 R436P432-E434 PolarHBondContact O-N 3.07Å; E434-R436 PolarHBondContact O-N 3.05Å
435Y44.6Very low49.4Very low185 Ų185143.2 Ų143.273%0.72572%0.715SS**  trans-67.887.8-176.3-169.4-93.2000107.8P433 R437P433-Y435 PolarHBondContact O-N 2.91Å; Y435-R437 VanDerWaalsContact C-N 3.27Å; Y435-R437 HydrophobicContact CD1-CB 4.45Å; Y435-R437 HydrophobicContact CE1-CB 4.49Å; Y435-R437 PolarHBondContact O-N 3.01Å
436R54.4Low50Low163 Ų163145.8 Ų145.862%0.61572%0.723SS**  trans-72.391.3173.1-157.8-173.2-168.2110.54.6107E434 E438 E439E434-R436 PolarHBondContact O-N 3.05Å; R436-E438 HydrophobicContact CG-CB 4.47Å; R436-E438 IonicContact CZ-OE2 3.77Å; R436-E438 IonicContact NE-OE2 3.63Å; R436-E438 PolarHBondContact NE-OE2 3.04Å; R436-E438 IonicContact NH2-OE2 2.64Å; R436-E438 PolarHBondContact O-N 2.86Å; R436-E439 PolarHBondContact O-N 3.11Å
437R55.3Low50.3Low180 Ų180139.6 Ų139.668%0.67971%0.713SS**Hα-helixtrans-45.7-34.1-178.2-175.4179.7-69.7175.9-2.5112.6Y435 E439 E441Y435-R437 VanDerWaalsContact C-N 3.27Å; Y435-R437 HydrophobicContact CD1-CB 4.45Å; Y435-R437 HydrophobicContact CE1-CB 4.49Å; Y435-R437 PolarHBondContact O-N 3.01Å; R437-E439 PolarHBondContact O-N 3.3Å; R437-E441 WeakPolarHBondContact O-CG 3.46Å
438E57.6Low50.6Low132 Ų132140.8 Ų140.862%0.61772%0.716SS**Hα-helixtrans-65-29.6-177.4-57.2158.8-170.400114.1R436R436-E438 HydrophobicContact CG-CB 4.47Å; R436-E438 IonicContact CZ-OE2 3.77Å; R436-E438 IonicContact NE-OE2 3.63Å; R436-E438 PolarHBondContact NE-OE2 3.04Å; R436-E438 IonicContact NH2-OE2 2.64Å; R436-E438 PolarHBondContact O-N 2.86Å
439E56Low51Low144 Ų144137.4 Ų137.467%0.67371%0.712SS**Hα-helixtrans-93.3-17.2-173.8-149.3175.4-171.100112.6R436 R437R436-E439 PolarHBondContact O-N 3.11Å; R437-E439 PolarHBondContact O-N 3.3Å
440A53.4Low51.3Low38 Ų38140.1 Ų140.131%0.31472%0.721SS.*Hα-helixtrans-80.1-19.617600000112.8
441E56.9Low51.8Low132 Ų132138.7 Ų138.762%0.61772%0.723SS**SBendtrans-82.2-22.4-176.1-66.6179.4-167.400113R437 R443R437-E441 WeakPolarHBondContact O-CG 3.46Å; E441-R443 VanDerWaalsContact C-N 3.33Å; E441-R443 PolarHBondContact O-N 3.04Å
442E55.5Low51.9Low167 Ų167136.7 Ų136.778%0.7872%0.718SS**G310 helixtrans-79.4-10.8177.3-73.6-169160.800114
443R58.2Low52.2Low208 Ų208137.4 Ų137.479%0.78573%0.733SS**G310 helixtrans-87.2-5.9-178.5-59-170.292.485.1-2.9114.3E441E441-R443 VanDerWaalsContact C-N 3.33Å; E441-R443 PolarHBondContact O-N 3.04Å
444L56.4Low52.5Low155 Ų155135.4 Ų135.481%0.81272%0.722SS**G310 helixtrans-95.11.5-177.8-63.9179.7000114.2S446L444-S446 PolarHBondContact O-N 3.05Å; L444-S446 VanDerWaalsContact O-N 3.09Å
445D49.6Very low53.5Low149 Ų149135 Ų13580%0.79773%0.725SS**  trans-87.340.9177.6-155.415.1000113.2G447D445-G447 VanDerWaalsContact C-N 3.3Å; D445-G447 PolarHBondContact O-N 3.39Å
446S49Very low54.3Low113 Ų113134.5 Ų134.579%0.7972%0.722SS**  trans-8179.5171.5-64.50000110.3L444L444-S446 PolarHBondContact O-N 3.05Å; L444-S446 VanDerWaalsContact O-N 3.09Å
447G52.8Low54.9Low67 Ų67131.6 Ų131.669%0.69173%0.727SS**SBendtrans66.356.5135.200000118.9D445D445-G447 VanDerWaalsContact C-N 3.3Å; D445-G447 PolarHBondContact O-N 3.39Å
448F46.7Very low55.8Low178 Ų178128.7 Ų128.778%0.78173%0.729SS**  trans-136.359158.7-152.9-90.3000111.8
449A52.9Low57.1Low104 Ų104131.9 Ų131.986%0.8674%0.741SS**  trans-121.174.9167.700000109.4
450E45.8Very low58.5Low182 Ų182133.4 Ų133.485%0.8575%0.746SS**  trans-107.8124.1157.4-164173.5168.700108.8A452E450-A452 PolarHBondContact O-N 2.9Å
451A53.3Low60.3Low104 Ų104137.6 Ų137.686%0.8677%0.767SS**  trans-60.6113.4-173.800000111.6
452A48Very low61.9Low67 Ų67142 Ų14255%0.55478%0.778SS**  trans-138.8109.3149.800000107.6E450 S454E450-A452 PolarHBondContact O-N 2.9Å; A452-S454 PolarHBondContact O-N 3.3Å
453A56Low63.6Low119 Ų119142.8 Ų142.898%0.98378%0.779SS**  trans-56.689.9163.700000108.4
454S57.8Low65Low77 Ų77137.6 Ų137.654%0.53877%0.773SS.*  trans-134.4127.1169.7-175.90000104.7A452 R456A452-S454 PolarHBondContact O-N 3.3Å; S454-R456 WeakPolarHBondContact O-CG 3.45Å; S454-R456 PolarHBondContact O-N 3.47Å
455N63.3Low66.6Low171 Ų171138.1 Ų138.191%0.91478%0.777SS**  trans-56.982.9-178.4-70.9-26.1000110.5S457N455-S457 PolarHBondContact O-N 3.17Å
456R60.8Low68.5Low175 Ų175139 Ų13966%0.6678%0.776SS**  trans-90.897.1174-66.3-178-167.9-147.64.4106.2S454 T458S454-R456 WeakPolarHBondContact O-CG 3.45Å; S454-R456 PolarHBondContact O-N 3.47Å; R456-T458 PolarHBondContact O-N 3.18Å
457S67.7Low70.4Confident102 Ų102138.9 Ų138.971%0.71377%0.771SS**  trans-57.9112.3167.347.50000108.1N455 K459N455-S457 PolarHBondContact O-N 3.17Å; S457-K459 PolarHBondContact O-N 2.88Å
458T73.8Confident72.1Confident119 Ų119142.9 Ų142.973%0.7377%0.772SS**  trans-67.8102.8175.854.40000107.6R456 K460R456-T458 PolarHBondContact O-N 3.18Å; T458-K460 PolarHBondContact O-N 2.9Å
459K84.8Confident74Confident199 Ų199141.2 Ų141.287%0.86577%0.766SS**PPolyproline II helixtrans-67.4119.3174.9-66179.6-178.2177.20107.9S457S457-K459 PolarHBondContact O-N 2.88Å
460K85.4Confident75.4Confident176 Ų176143.9 Ų143.977%0.76576%0.758SS**PPolyproline II helixtrans-96.6125.8172.8-67.3-176.8177.8-177.70108T458 R462T458-K460 PolarHBondContact O-N 2.9Å; K460-R462 PolarHBondContact O-N 3.48Å
461V92.1Very high77Confident125 Ų125143.6 Ų143.676%0.75876%0.755SS**PPolyproline II helixtrans-62.1131.6170178.20000107.5F463V461-F463 HydrophobicContact CG1-CE2 4.4Å; V461-F463 HydrophobicContact CG1-CZ 4.29Å
462R90.1Very high77.9Confident226 Ų226142.9 Ų142.985%0.85375%0.749SS**  trans-124.2141.3169.5-64.7-166.7-64.9138.4-0.4107.2K460K460-R462 PolarHBondContact O-N 3.48Å
463F91.4Very high78.7Confident182 Ų182145.5 Ų145.580%0.79876%0.763SS**  trans-89.5148.1171.3-62.5-82.7000108.7V461V461-F463 HydrophobicContact CG1-CE2 4.4Å; V461-F463 HydrophobicContact CG1-CZ 4.29Å
464C87.9Confident78.7Confident99 Ų99143.7 Ų143.767%0.66974%0.743SS**  trans-80.2126.4169.8-167.50000107.3E466C464-E466 PolarHBondContact O-N 3.29Å
465D89.6Confident78.7Confident166 Ų166144 Ų14489%0.88875%0.745SS**SBendtrans-74.9-15.7177.1-63-35.4000111.7
466E89.3Confident78.5Confident168 Ų168144 Ų14479%0.78574%0.739SS**  trans-87.6113.1177-165.5166.8-159.100109.5C464C464-E466 PolarHBondContact O-N 3.29Å
467V89.1Confident78.2Confident110 Ų110143.4 Ų143.467%0.66774%0.744SS**  trans-100.8120.1175.3179.40000107.7E469V467-E469 HydrophobicContact CG1-CG 4.27Å; V467-E469 PolarHBondContact O-N 3.14Å
468E88.1Confident77.7Confident152 Ų152146 Ų14671%0.7175%0.745SS**  trans-83.7104.7174.7-160170.4-16200108.7F470E468-F470 HydrophobicContact CB-CE2 4.01Å; E468-F470 HydrophobicContact CB-CZ 4.41Å; E468-F470 VanDerWaalsContact CD-CZ 3.42Å; E468-F470 HydrophobicContact CG-CE1 4.41Å; E468-F470 HydrophobicContact CG-CE2 3.69Å; E468-F470 HydrophobicContact CG-CZ 3.64Å
469E86.7Confident77.1Confident142 Ų142146.7 Ų146.766%0.66474%0.744SS**  trans-86.6115.9178.5-66.5179.6-17100109.8V467 F471V467-E469 HydrophobicContact CG1-CG 4.27Å; V467-E469 PolarHBondContact O-N 3.14Å; E469-F471 HydrophobicContact CB-CE2 4.38Å
470F82.4Confident76.2Confident160 Ų160147.2 Ų147.270%0.70274%0.741SS**  trans-97109.1171.1-63.7-85.6000108.8E468 A472E468-F470 HydrophobicContact CB-CE2 4.01Å; E468-F470 HydrophobicContact CB-CZ 4.41Å; E468-F470 VanDerWaalsContact CD-CZ 3.42Å; E468-F470 HydrophobicContact CG-CE1 4.41Å; E468-F470 HydrophobicContact CG-CE2 3.69Å; E468-F470 HydrophobicContact CG-CZ 3.64Å; F470-A472 PolarHBondContact O-N 3.15Å; F470-A472 VanDerWaalsContact O-N 3.16Å
471F78.5Confident75.5Confident176 Ų176146.2 Ų146.277%0.77273%0.732SS**  trans-72.1106.3162.4-64.2-87.6000106.6E469 S473E469-F471 HydrophobicContact CB-CE2 4.38Å; F471-S473 PolarHBondContact O-N 3.48Å; F471-S473 VanDerWaalsContact O-N 3.09Å
472A73.9Confident74.7Confident89 Ų89141.3 Ų141.374%0.73671%0.707SS**  trans-53.4122.2157.600000105.1F470 C474F470-A472 PolarHBondContact O-N 3.15Å; F470-A472 VanDerWaalsContact O-N 3.16Å; A472-C474 PolarHBondContact O-N 3.49Å
473S64.3Low74.1Confident122 Ų122135.7 Ų135.785%0.85370%0.699SS**  trans-64.470.1173.354.90000108.3F471 S475F471-S473 PolarHBondContact O-N 3.48Å; F471-S473 VanDerWaalsContact O-N 3.09Å; S473-S475 PolarHBondContact O-N 2.9Å
474C54.8Low73.9Confident82 Ų82134.1 Ų134.155%0.55469%0.688SS**  trans-70.493.3159.7-1560000101.6A472 E476A472-C474 PolarHBondContact O-N 3.49Å; C474-E476 PolarHBondContact O-N 3.27Å
475S57.8Low73.8Confident84 Ų84131.3 Ų131.359%0.58767%0.665SS**  trans-46.7108.2158.3-175.20000104.2S473 E477S473-S475 PolarHBondContact O-N 2.9Å; S475-E477 PolarHBondContact O-N 3.02Å
476E59Low73.6Confident170 Ų170129.4 Ų129.479%0.79465%0.651SS**THydrogen-bonded Turntrans-43130.3171.456.8-159.6144.800107.7C474C474-E476 PolarHBondContact O-N 3.27Å
477E55.2Low73.5Confident163 Ų163127.3 Ų127.376%0.76265%0.645SS**THydrogen-bonded Turntrans110.3-25.5160.6-154.9147.5-151.400120S475S475-E477 PolarHBondContact O-N 3.02Å
478E56.8Low73.5Confident155 Ų155122.9 Ų122.972%0.72462%0.619SS**THydrogen-bonded Turntrans-101.9-33.6-171.7-83.1179.6146.900116.5R480 R481E478-R480 PolarHBondContact O-N 3.42Å; E478-R481 PolarHBondContact O-N 2.83Å
479D61.7Low73.5Confident135 Ų135120.8 Ų120.872%0.72261%0.605SS**THydrogen-bonded Turntrans-74.2-3-167.5-71.1-26.7000115.3
480R66Low73.9Confident209 Ų209117.2 Ų117.279%0.78959%0.591SS**THydrogen-bonded Turntrans-104-8.5-178.6-66.8-165.7-179125.53.3114.8E478 G482 W484E478-R480 PolarHBondContact O-N 3.42Å; R480-G482 VanDerWaalsContact C-N 3.27Å; R480-G482 PolarHBondContact O-N 3.4Å; R480-W484 WeakPolarHBondContact O-CZ2 3.33Å; R480-W484 PolarHBondContact O-NE1 2.97Å; R480-W484 VanDerWaalsContact O-NE1 3.13Å
481R70.1Confident74.5Confident156 Ų156115.4 Ų115.459%0.58958%0.579SS**  trans-79.180.6174.6-64.9-166.3-178.3-78.2-0.2109.5E478 E485E478-R481 PolarHBondContact O-N 2.83Å; R481-E485 WeakPolarHBondContact CG-OE2 3.24Å; R481-E485 IonicContact CZ-OE1 3.98Å; R481-E485 VanDerWaalsContact NH1-CD 3.29Å; R481-E485 IonicContact NH1-OE1 2.74Å; R481-E485 PolarHBondContact NH1-OE1 2.97Å; R481-E485 IonicContact NH1-OE2 3.03Å; R481-E485 PolarHBondContact NH1-OE2 3.17Å
482G75Confident75.2Confident22 Ų22109.1 Ų109.123%0.22756%0.557CS.*  trans-97.217017600000112.2R480 W484 E485R480-G482 VanDerWaalsContact C-N 3.27Å; R480-G482 PolarHBondContact O-N 3.4Å; G482-W484 PolarHBondContact O-N 3.41Å; G482-E485 WeakPolarHBondContact O-CB 3.49Å; G482-E485 PolarHBondContact O-N 2.88Å
483P79.5Confident76.2Confident107 Ų107111.7 Ų111.770%0.69555%0.547SS*.Hα-helixtrans-51.9-24.7175.5-27.834.9000114.5E485 E486 L487P483-E485 PolarHBondContact O-N 3.3Å; P483-E486 PolarHBondContact O-N 3.04Å; P483-L487 VanDerWaalsContact O-CD1 3.23Å; P483-L487 WeakPolarHBondContact O-CD1 3.4Å; P483-L487 PolarHBondContact O-N 3.13Å
484W85.7Confident77.8Confident150 Ų150111.9 Ų111.957%0.56853%0.533SS*.Hα-helixtrans-60.1-29.5174.469.5-94.1000113.3R480 G482 L487 A488R480-W484 WeakPolarHBondContact O-CZ2 3.33Å; R480-W484 PolarHBondContact O-NE1 2.97Å; R480-W484 VanDerWaalsContact O-NE1 3.13Å; G482-W484 PolarHBondContact O-N 3.41Å; W484-L487 PolarHBondContact O-N 3.17Å; W484-A488 WeakPolarHBondContact O-CB 3.46Å; W484-A488 PolarHBondContact O-N 3.35Å
485E85.6Confident79.7Confident39 Ų39111.2 Ų111.218%0.18252%0.519CS..Hα-helixtrans-70.9-40.5-178.6-161.7-170.1-171.700110.9R481 G482 P483 A488 R489R481-E485 WeakPolarHBondContact CG-OE2 3.24Å; R481-E485 IonicContact CZ-OE1 3.98Å; R481-E485 VanDerWaalsContact NH1-CD 3.29Å; R481-E485 IonicContact NH1-OE1 2.74Å; R481-E485 PolarHBondContact NH1-OE1 2.97Å; R481-E485 IonicContact NH1-OE2 3.03Å; R481-E485 PolarHBondContact NH1-OE2 3.17Å; G482-E485 WeakPolarHBondContact O-CB 3.49Å; G482-E485 PolarHBondContact O-N 2.88Å; P483-E485 PolarHBondContact O-N 3.3Å; E485-A488 PolarHBondContact O-N 3.47Å; E485-R489 VanDerWaalsContact CG-NH1 3.28Å; E485-R489 WeakPolarHBondContact O-CG 3.06Å; E485-R489 PolarHBondContact O-N 2.94Å; E485-R489 IonicContact OE1-CZ 3.81Å; E485-R489 IonicContact OE1-NH1 3.2Å; E485-R489 PolarHBondContact OE1-NH1 2.92Å; E485-R489 IonicContact OE1-NH2 3.06Å; E485-R489 PolarHBondContact OE1-NH2 3Å; E485-R489 IonicContact OE2-CZ 3.64Å; E485-R489 IonicContact OE2-NH1 3.42Å; E485-R489 PolarHBondContact OE2-NH1 3.3Å; E485-R489 VanDerWaalsContact OE2-NH1 3.08Å; E485-R489 IonicContact OE2-NH2 2.71Å
486E86.8Confident81.6Confident127 Ų127115 Ų11559%0.59352%0.52SS*.Hα-helixtrans-63.7-47.2173.3-172.2173.5-16900110.8P483 A488 R489 D490P483-E486 PolarHBondContact O-N 3.04Å; E486-A488 VanDerWaalsContact C-N 3.28Å; E486-A488 PolarHBondContact O-N 3.02Å; E486-R489 PolarHBondContact O-N 2.79Å; E486-D490 WeakPolarHBondContact O-CB 3.48Å; E486-D490 PolarHBondContact O-N 3.41Å
487L87Confident83.4Confident124 Ų124113.6 Ų113.665%0.64951%0.508SS*.Hα-helixtrans-57.5-39.7174.5-91.985.1000112.6P483 W484 R491P483-L487 VanDerWaalsContact O-CD1 3.23Å; P483-L487 WeakPolarHBondContact O-CD1 3.4Å; P483-L487 PolarHBondContact O-N 3.13Å; W484-L487 PolarHBondContact O-N 3.17Å; L487-R491 WeakPolarHBondContact O-CB 3.49Å; L487-R491 PolarHBondContact O-N 2.71Å
488A88.1Confident85.4Confident16 Ų16108.5 Ų108.513%0.13249%0.489CS..Hα-helixtrans-66.2-44.1178.100000111.8F262 W484 E485 E486 R491 C492F262-A488 HydrophobicContact CE1-CB 4.3Å; W484-A488 WeakPolarHBondContact O-CB 3.46Å; W484-A488 PolarHBondContact O-N 3.35Å; E485-A488 PolarHBondContact O-N 3.47Å; E486-A488 VanDerWaalsContact C-N 3.28Å; E486-A488 PolarHBondContact O-N 3.02Å; A488-R491 PolarHBondContact O-N 3.43Å; A488-C492 PolarHBondContact O-N 2.86Å; A488-C492 VanDerWaalsContact O-N 3.13Å
489R89.5Confident87.3Confident108 Ų108106.4 Ų106.441%0.40848%0.48SS..Hα-helixtrans-63.2-43.5175.7-72.1-178.1-178.1113.6-3.3111.8E485 E486 C492 R493E485-R489 VanDerWaalsContact CG-NH1 3.28Å; E485-R489 WeakPolarHBondContact O-CG 3.06Å; E485-R489 PolarHBondContact O-N 2.94Å; E485-R489 IonicContact OE1-CZ 3.81Å; E485-R489 IonicContact OE1-NH1 3.2Å; E485-R489 PolarHBondContact OE1-NH1 2.92Å; E485-R489 IonicContact OE1-NH2 3.06Å; E485-R489 PolarHBondContact OE1-NH2 3Å; E485-R489 IonicContact OE2-CZ 3.64Å; E485-R489 IonicContact OE2-NH1 3.42Å; E485-R489 PolarHBondContact OE2-NH1 3.3Å; E485-R489 VanDerWaalsContact OE2-NH1 3.08Å; E485-R489 IonicContact OE2-NH2 2.71Å; E486-R489 PolarHBondContact O-N 2.79Å; R489-C492 WeakPolarHBondContact O-CB 3.36Å; R489-C492 PolarHBondContact O-N 3.05Å; R489-C492 VanDerWaalsContact O-N 3.17Å; R489-R493 WeakPolarHBondContact O-CG 3.38Å; R489-R493 PolarHBondContact O-N 3.01Å
490D94.4Very high89Confident68 Ų68104.9 Ų104.936%0.36447%0.468SS..Hα-helixtrans-67.6-37.4-179.9-83-2.4000112.4E486 C492 R493 F494E486-D490 WeakPolarHBondContact O-CB 3.48Å; E486-D490 PolarHBondContact O-N 3.41Å; D490-C492 VanDerWaalsContact C-N 3.3Å; D490-C492 PolarHBondContact O-N 3.09Å; D490-R493 PolarHBondContact O-N 3.03Å; D490-R493 IonicContact OD1-NH1 3.08Å; D490-R493 PolarHBondContact OD1-NH1 2.99Å; D490-F494 VanDerWaalsContact O-CB 3.24Å; D490-F494 WeakPolarHBondContact O-CB 3.27Å; D490-F494 PolarHBondContact O-N 3.18Å
491R95.4Very high90.5Very high121 Ų12198.6 Ų98.646%0.45745%0.453SS..Hα-helixtrans-60.1-40.8171-173.2175.7176.8166.7-2.8111.8I263 M264 L487 A488 R495I263-R491 PolarHBondContact O-NH1 3.09Å; M264-R491 PolarHBondContact O-NH2 3.34Å; L487-R491 WeakPolarHBondContact O-CB 3.49Å; L487-R491 PolarHBondContact O-N 2.71Å; A488-R491 PolarHBondContact O-N 3.43Å; R491-R495 WeakPolarHBondContact O-CB 3.46Å; R491-R495 PolarHBondContact O-N 3.29Å
492C91.9Very high91.8Very high45 Ų4597.7 Ų97.730%0.30446%0.455SS..Hα-helixtrans-66.5-45.5175.2-77.80000112.4A488 R489 D490 F494 R495 R496A488-C492 PolarHBondContact O-N 2.86Å; A488-C492 VanDerWaalsContact O-N 3.13Å; R489-C492 WeakPolarHBondContact O-CB 3.36Å; R489-C492 PolarHBondContact O-N 3.05Å; R489-C492 VanDerWaalsContact O-N 3.17Å; D490-C492 VanDerWaalsContact C-N 3.3Å; D490-C492 PolarHBondContact O-N 3.09Å; C492-F494 VanDerWaalsContact C-N 3.34Å; C492-F494 PolarHBondContact O-N 2.84Å; C492-R495 PolarHBondContact O-N 3.22Å; C492-R496 PolarHBondContact O-N 3.26Å
493R95.7Very high92.8Very high143 Ų143104.7 Ų104.754%0.5448%0.482SS..Hα-helixtrans-61.7-41.8175.8-71.5170.7175.7168.2-6.6112R489 D490 R496 R497R489-R493 WeakPolarHBondContact O-CG 3.38Å; R489-R493 PolarHBondContact O-N 3.01Å; D490-R493 PolarHBondContact O-N 3.03Å; D490-R493 IonicContact OD1-NH1 3.08Å; D490-R493 PolarHBondContact OD1-NH1 2.99Å; R493-R496 PolarHBondContact O-N 3.2Å; R493-R497 PolarHBondContact O-N 2.88Å
494F96.9Very high93.6Very high125 Ų125103.3 Ų103.355%0.54847%0.474SS..Hα-helixtrans-63.6-47.2176.9179.5-103.5000110.9D490 C492 R496 R497 C498D490-F494 VanDerWaalsContact O-CB 3.24Å; D490-F494 WeakPolarHBondContact O-CB 3.27Å; D490-F494 PolarHBondContact O-N 3.18Å; C492-F494 VanDerWaalsContact C-N 3.34Å; C492-F494 PolarHBondContact O-N 2.84Å; F494-R496 VanDerWaalsContact C-N 3.32Å; F494-R496 PolarHBondContact O-N 3.46Å; F494-R497 PolarHBondContact O-N 2.95Å; F494-C498 WeakPolarHBondContact CE1-SG 3.43Å; F494-C498 VanDerWaalsContact CZ-SG 3.52Å; F494-C498 PolarHBondContact O-N 3.18Å; F494-C498 PolarHBondContact O-SG 3.49Å; F494-C498 VanDerWaalsContact O-SG 3.35Å
495R96.1Very high94.1Very high68 Ų68100 Ų10026%0.25747%0.467SS..Hα-helixtrans-58.5-44.3175.9-176.3178.1-63.3119.8-5.7111.9M264 G265 R491 C492 R497 C498 Q499M264-R495 PolarHBondContact O-NH2 3.47Å; M264-R495 VanDerWaalsContact O-NH2 3.11Å; G265-R495 VanDerWaalsContact CA-NH2 3.31Å; G265-R495 PolarHBondContact O-NE 3.22Å; G265-R495 PolarHBondContact O-NH1 2.93Å; G265-R495 PolarHBondContact O-NH2 3.44Å; G265-R495 VanDerWaalsContact O-NH2 3.07Å; R491-R495 WeakPolarHBondContact O-CB 3.46Å; R491-R495 PolarHBondContact O-N 3.29Å; C492-R495 PolarHBondContact O-N 3.22Å; R495-R497 VanDerWaalsContact C-N 3.34Å; R495-R497 PolarHBondContact O-N 2.87Å; R495-C498 WeakPolarHBondContact O-CB 3.45Å; R495-C498 PolarHBondContact O-N 3.47Å; R495-Q499 HydrophobicContact CG-CG 4.43Å; R495-Q499 WeakPolarHBondContact O-CG 3.34Å; R495-Q499 PolarHBondContact O-N 3.2Å
496R97.2Very high94.5Very high163 Ų16399.3 Ų99.362%0.61547%0.471SS*.Hα-helixtrans-58.2-48.2176.9-173.9-175.5-65.2171.4-2.2110.9C492 R493 F494 C498 Q499 E500C492-R496 PolarHBondContact O-N 3.26Å; R493-R496 PolarHBondContact O-N 3.2Å; F494-R496 VanDerWaalsContact C-N 3.32Å; F494-R496 PolarHBondContact O-N 3.46Å; R496-C498 VanDerWaalsContact C-N 3.33Å; R496-C498 PolarHBondContact O-N 2.64Å; R496-Q499 PolarHBondContact O-N 2.9Å; R496-Q499 VanDerWaalsContact O-N 3.14Å; R496-E500 WeakPolarHBondContact CD-OE1 3.25Å; R496-E500 HydrophobicContact CG-CG 4.41Å; R496-E500 VanDerWaalsContact CG-OE1 3.28Å; R496-E500 WeakPolarHBondContact CG-OE1 3.48Å; R496-E500 WeakPolarHBondContact O-CG 3.36Å; R496-E500 PolarHBondContact O-N 2.81Å
497R97.3Very high94.8Very high142 Ų14299.4 Ų99.454%0.53647%0.47SS..Hα-helixtrans-59.8-41175.6-78.5-175-83.8142.4-11.1112.6R493 F494 R495 Q499 E500 V501R493-R497 PolarHBondContact O-N 2.88Å; F494-R497 PolarHBondContact O-N 2.95Å; R495-R497 VanDerWaalsContact C-N 3.34Å; R495-R497 PolarHBondContact O-N 2.87Å; R497-Q499 VanDerWaalsContact C-N 3.35Å; R497-Q499 PolarHBondContact O-N 2.84Å; R497-E500 PolarHBondContact O-N 2.94Å; R497-V501 WeakPolarHBondContact O-CB 3.43Å; R497-V501 VanDerWaalsContact O-CG2 3.24Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 3.04Å
498C96.7Very high95.1Very high56 Ų5695.9 Ų95.938%0.37846%0.455SS..Hα-helixtrans-60.3-44.8174.4-69.40000111.8F494 R495 R496 V501 E502F494-C498 WeakPolarHBondContact CE1-SG 3.43Å; F494-C498 VanDerWaalsContact CZ-SG 3.52Å; F494-C498 PolarHBondContact O-N 3.18Å; F494-C498 PolarHBondContact O-SG 3.49Å; F494-C498 VanDerWaalsContact O-SG 3.35Å; R495-C498 WeakPolarHBondContact O-CB 3.45Å; R495-C498 PolarHBondContact O-N 3.47Å; R496-C498 VanDerWaalsContact C-N 3.33Å; R496-C498 PolarHBondContact O-N 2.64Å; C498-V501 PolarHBondContact O-N 3.31Å; C498-E502 VanDerWaalsContact O-CB 3.26Å; C498-E502 WeakPolarHBondContact O-CB 3.43Å; C498-E502 PolarHBondContact O-N 3.24Å
499Q96.9Very high95.3Very high111 Ų111100.4 Ų100.452%0.51948%0.476SS..Hα-helixtrans-65.8-41.6178.4-71.2170.6-20.800112.2R495 R496 R497 E502 H503R495-Q499 HydrophobicContact CG-CG 4.43Å; R495-Q499 WeakPolarHBondContact O-CG 3.34Å; R495-Q499 PolarHBondContact O-N 3.2Å; R496-Q499 PolarHBondContact O-N 2.9Å; R496-Q499 VanDerWaalsContact O-N 3.14Å; R497-Q499 VanDerWaalsContact C-N 3.35Å; R497-Q499 PolarHBondContact O-N 2.84Å; Q499-E502 PolarHBondContact O-N 3.13Å; Q499-H503 WeakPolarHBondContact O-CB 3.28Å; Q499-H503 PolarHBondContact O-N 2.64Å
500E97.3Very high95.5Very high102 Ų10297 Ų9748%0.47747%0.47SS..Hα-helixtrans-62.9-44176-72.8167.3-177.500111.5R496 R497 H503 S504R496-E500 WeakPolarHBondContact CD-OE1 3.25Å; R496-E500 HydrophobicContact CG-CG 4.41Å; R496-E500 VanDerWaalsContact CG-OE1 3.28Å; R496-E500 WeakPolarHBondContact CG-OE1 3.48Å; R496-E500 WeakPolarHBondContact O-CG 3.36Å; R496-E500 PolarHBondContact O-N 2.81Å; R497-E500 PolarHBondContact O-N 2.94Å; E500-H503 PolarHBondContact O-N 3.3Å; E500-S504 WeakPolarHBondContact O-CB 3.24Å; E500-S504 PolarHBondContact O-N 2.95Å; E500-S504 PolarHBondContact O-OG 3.3Å
501V97.3Very high95.4Very high78 Ų7899 Ų9947%0.47349%0.487SS..Hα-helixtrans-64.2-47.2175.4170.40000110.1R497 C498 H503 S504 I505R497-V501 WeakPolarHBondContact O-CB 3.43Å; R497-V501 VanDerWaalsContact O-CG2 3.24Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 3.04Å; C498-V501 PolarHBondContact O-N 3.31Å; V501-H503 VanDerWaalsContact C-N 3.29Å; V501-H503 PolarHBondContact O-N 2.87Å; V501-S504 WeakPolarHBondContact O-CB 3.41Å; V501-S504 PolarHBondContact O-N 3.08Å; V501-I505 HydrophobicContact CG1-CD1 3.65Å; V501-I505 HydrophobicContact CG1-CG1 4.02Å; V501-I505 WeakPolarHBondContact O-CG1 3.32Å; V501-I505 PolarHBondContact O-N 2.74Å
502E96.6Very high95.3Very high136 Ų13696 Ų9664%0.63649%0.489SS*.Hα-helixtrans-58.3-41176.7-178.3171.4-160.700111.8C498 Q499 S504 G506C498-E502 VanDerWaalsContact O-CB 3.26Å; C498-E502 WeakPolarHBondContact O-CB 3.43Å; C498-E502 PolarHBondContact O-N 3.24Å; Q499-E502 PolarHBondContact O-N 3.13Å; E502-S504 VanDerWaalsContact C-N 3.28Å; E502-S504 PolarHBondContact O-N 3.35Å; E502-G506 WeakPolarHBondContact O-CA 3.48Å; E502-G506 PolarHBondContact O-N 3.04Å
503H96.2Very high95.4Very high170 Ų17095.6 Ų95.679%0.78748%0.482SS*.Hα-helixtrans-63.3-36.3174.1-169.174.2000112.2Q499 E500 V501Q499-H503 WeakPolarHBondContact O-CB 3.28Å; Q499-H503 PolarHBondContact O-N 2.64Å; E500-H503 PolarHBondContact O-N 3.3Å; V501-H503 VanDerWaalsContact C-N 3.29Å; V501-H503 PolarHBondContact O-N 2.87Å
504S96.7Very high95.4Very high77 Ų7796.7 Ų96.754%0.53849%0.486SS..Hα-helixtrans-78.1-41.4-177.1-56.20000113.3E500 V501 E502E500-S504 WeakPolarHBondContact O-CB 3.24Å; E500-S504 PolarHBondContact O-N 2.95Å; E500-S504 PolarHBondContact O-OG 3.3Å; V501-S504 WeakPolarHBondContact O-CB 3.41Å; V501-S504 PolarHBondContact O-N 3.08Å; E502-S504 VanDerWaalsContact C-N 3.28Å; E502-S504 PolarHBondContact O-N 3.35Å
505I95.9Very high95.2Very high80 Ų8098.3 Ų98.341%0.4149%0.489SS..Hα-helixtrans-112.1-8.2-172.777.1177.4000113.6V501 F507 C508 L509V501-I505 HydrophobicContact CG1-CD1 3.65Å; V501-I505 HydrophobicContact CG1-CG1 4.02Å; V501-I505 WeakPolarHBondContact O-CG1 3.32Å; V501-I505 PolarHBondContact O-N 2.74Å; I505-F507 PolarHBondContact O-N 3.36Å; I505-C508 WeakPolarHBondContact O-CB 3.5Å; I505-C508 PolarHBondContact O-N 3.09Å; I505-L509 HydrophobicContact CD1-CD1 4.21Å; I505-L509 HydrophobicContact CG1-CD1 4.18Å; I505-L509 PolarHBondContact O-N 2.7Å
506G95.1Very high95Very high26 Ų26102.5 Ų102.527%0.26851%0.505SS..Hα-helixtrans-58.6-36.2-174.800000112.4E502 C508 L509 A510E502-G506 WeakPolarHBondContact O-CA 3.48Å; E502-G506 PolarHBondContact O-N 3.04Å; G506-C508 VanDerWaalsContact C-N 3.3Å; G506-C508 PolarHBondContact O-N 3.48Å; G506-L509 PolarHBondContact O-N 3.24Å; G506-A510 PolarHBondContact O-N 2.69Å
507F93.7Very high94.8Very high129 Ų12996.5 Ų96.557%0.56649%0.486SS*.Hα-helixtrans-62.5-36.3176.287.5-92.8000112.4I505 L509 A510 H513I505-F507 PolarHBondContact O-N 3.36Å; F507-L509 VanDerWaalsContact C-N 3.29Å; F507-L509 PolarHBondContact O-N 2.99Å; F507-A510 VanDerWaalsContact O-CB 3.3Å; F507-A510 WeakPolarHBondContact O-CB 3.43Å; F507-A510 PolarHBondContact O-N 3.18Å; F507-H513 WeakPolarHBondContact O-CB 3.44Å
508C93Very high94.6Very high50 Ų5095.7 Ų95.734%0.33848%0.484SS..Hα-helixtrans-66.9-35.2178.4-66.50000111.6I505 G506 A510 H513I505-C508 WeakPolarHBondContact O-CB 3.5Å; I505-C508 PolarHBondContact O-N 3.09Å; G506-C508 VanDerWaalsContact C-N 3.3Å; G506-C508 PolarHBondContact O-N 3.48Å; C508-A510 VanDerWaalsContact C-N 3.35Å; C508-H513 WeakPolarHBondContact CA-ND1 3.42Å; C508-H513 PolarHBondContact O-ND1 3.05Å
509L90.9Very high94.4Very high111 Ų11197.8 Ų97.858%0.58149%0.488SS*.Hα-helixtrans-82.6-14.9-179-59.2179.6000112.6I505 G506 F507 R514I505-L509 HydrophobicContact CD1-CD1 4.21Å; I505-L509 HydrophobicContact CG1-CD1 4.18Å; I505-L509 PolarHBondContact O-N 2.7Å; G506-L509 PolarHBondContact O-N 3.24Å; F507-L509 VanDerWaalsContact C-N 3.29Å; F507-L509 PolarHBondContact O-N 2.99Å; L509-R514 VanDerWaalsContact O-CD 3.29Å; L509-R514 WeakPolarHBondContact O-CD 3.47Å
510A93.7Very high94Very high35 Ų3594.7 Ų94.729%0.28949%0.487SS..SBendtrans-56.9137.4179.400000111.4G506 F507 C508 A512 H513 R514G506-A510 PolarHBondContact O-N 2.69Å; F507-A510 VanDerWaalsContact O-CB 3.3Å; F507-A510 WeakPolarHBondContact O-CB 3.43Å; F507-A510 PolarHBondContact O-N 3.18Å; C508-A510 VanDerWaalsContact C-N 3.35Å; A510-A512 PolarHBondContact O-N 3.33Å; A510-A512 VanDerWaalsContact O-N 3.15Å; A510-H513 HydrophobicContact CB-CB 4.41Å; A510-H513 PolarHBondContact O-N 3.01Å; A510-R514 PolarHBondContact O-N 3.42Å
511P93.4Very high93.7Very high110 Ų11094 Ų9471%0.71449%0.485SS*.Hα-helixtrans-53.5-39-178.8-27.934.5000113.4R514 W515P511-R514 PolarHBondContact O-N 2.93Å; P511-W515 VanDerWaalsContact O-CB 3.31Å; P511-W515 WeakPolarHBondContact O-CB 3.4Å; P511-W515 PolarHBondContact O-N 3.03Å
512A93.8Very high93.1Very high59 Ų5996.3 Ų96.349%0.48849%0.486SS..Hα-helixtrans-65.9-39.1178.600000113A510 R516A510-A512 PolarHBondContact O-N 3.33Å; A510-A512 VanDerWaalsContact O-N 3.15Å; A512-R516 PolarHBondContact O-N 2.99Å
513H93.9Very high92.2Very high36 Ų3692.7 Ų92.717%0.16748%0.48CS..Hα-helixtrans-67-47.8176-178-94.5000110.4F507 C508 A510 W515 R516 V517F507-H513 WeakPolarHBondContact O-CB 3.44Å; C508-H513 WeakPolarHBondContact CA-ND1 3.42Å; C508-H513 PolarHBondContact O-ND1 3.05Å; A510-H513 HydrophobicContact CB-CB 4.41Å; A510-H513 PolarHBondContact O-N 3.01Å; H513-W515 VanDerWaalsContact C-N 3.27Å; H513-W515 PolarHBondContact O-N 3.43Å; H513-R516 PolarHBondContact O-N 3.24Å; H513-R516 VanDerWaalsContact O-N 3.15Å; H513-V517 WeakPolarHBondContact O-CG2 3.24Å; H513-V517 PolarHBondContact O-N 3.25Å
514R94.3Very high90.9Very high167 Ų16789.8 Ų89.863%0.6348%0.476SS*.Hα-helixtrans-58.1-39.8176.2-66.1178.665.2173.71.2112.2L509 A510 P511 Y518L509-R514 VanDerWaalsContact O-CD 3.29Å; L509-R514 WeakPolarHBondContact O-CD 3.47Å; A510-R514 PolarHBondContact O-N 3.42Å; P511-R514 PolarHBondContact O-N 2.93Å; R514-Y518 WeakPolarHBondContact O-CB 3.41Å; R514-Y518 PolarHBondContact O-N 3.34Å
515W93.1Very high89.5Confident159 Ų15991.2 Ų91.260%0.60249%0.486SS*.Hα-helixtrans-65.5-43.2176.4-172.5-96.4000112.5P511 H513 Y518 Q519P511-W515 VanDerWaalsContact O-CB 3.31Å; P511-W515 WeakPolarHBondContact O-CB 3.4Å; P511-W515 PolarHBondContact O-N 3.03Å; H513-W515 VanDerWaalsContact C-N 3.27Å; H513-W515 PolarHBondContact O-N 3.43Å; W515-Y518 WeakPolarHBondContact O-CB 3.46Å; W515-Y518 PolarHBondContact O-N 2.77Å; W515-Q519 VanDerWaalsContact NE1-CD 3.33Å; W515-Q519 WeakPolarHBondContact O-CG 3.34Å; W515-Q519 PolarHBondContact O-N 2.67Å
516R92.6Very high87.9Confident155 Ų15595.3 Ų95.359%0.58551%0.509SS*.Hα-helixtrans-61.8-45.1175.4-83.8-176.7-91.6136.4-11.4112.4A512 H513 Y518 Q519 G520A512-R516 PolarHBondContact O-N 2.99Å; H513-R516 PolarHBondContact O-N 3.24Å; H513-R516 VanDerWaalsContact O-N 3.15Å; R516-Y518 VanDerWaalsContact C-N 3.33Å; R516-Q519 PolarHBondContact O-N 3.46Å; R516-G520 PolarHBondContact O-N 3.39Å
517V92.6Very high85.9Confident38 Ų38102.7 Ų102.723%0.2356%0.556CS.*Hα-helixtrans-61.6-44.6175.6174.30000110.4L74 H513 Q519 G520 L521L74-V517 HydrophobicContact CD1-CG1 3.74Å; H513-V517 WeakPolarHBondContact O-CG2 3.24Å; H513-V517 PolarHBondContact O-N 3.25Å; V517-Q519 PolarHBondContact O-N 3.16Å; V517-G520 PolarHBondContact O-N 3.09Å; V517-G520 VanDerWaalsContact O-N 3.16Å; V517-L521 HydrophobicContact CG1-CD1 4.04Å; V517-L521 HydrophobicContact CG1-CG 4.46Å; V517-L521 WeakPolarHBondContact O-CG 3.2Å; V517-L521 PolarHBondContact O-N 2.64Å
518Y92.4Very high85.5Confident124 Ų124101.4 Ų101.449%0.48656%0.556SS.*Hα-helixtrans-58.7-48.2176.1-174.7-92.8000111.7R514 W515 R516 G520 L521 Y522R514-Y518 WeakPolarHBondContact O-CB 3.41Å; R514-Y518 PolarHBondContact O-N 3.34Å; W515-Y518 WeakPolarHBondContact O-CB 3.46Å; W515-Y518 PolarHBondContact O-N 2.77Å; R516-Y518 VanDerWaalsContact C-N 3.33Å; Y518-G520 VanDerWaalsContact C-N 3.31Å; Y518-G520 PolarHBondContact O-N 2.86Å; Y518-L521 PolarHBondContact O-N 3.2Å; Y518-Y522 HydrophobicContact CD1-CD2 4.12Å; Y518-Y522 AromaticContact CD2-CD2 3.57Å; Y518-Y522 HydrophobicContact CD2-CD2 3.57Å; Y518-Y522 AromaticContact CD2-CE2 3.53Å; Y518-Y522 HydrophobicContact CD2-CE2 3.53Å; Y518-Y522 AromaticContact CE1-CD2 3.96Å; Y518-Y522 HydrophobicContact CE1-CD2 3.96Å; Y518-Y522 HydrophobicContact CE1-CG 4.38Å; Y518-Y522 AromaticContact CE2-CD2 3.38Å; Y518-Y522 HydrophobicContact CE2-CD2 3.38Å; Y518-Y522 AromaticContact CE2-CE2 3.23Å; Y518-Y522 HydrophobicContact CE2-CE2 3.23Å; Y518-Y522 HydrophobicContact CE2-CG 4.33Å; Y518-Y522 AromaticContact CG-CD2 3.93Å; Y518-Y522 HydrophobicContact CG-CD2 3.93Å; Y518-Y522 HydrophobicContact CG-CE2 4.35Å; Y518-Y522 AromaticContact CZ-CD2 3.58Å; Y518-Y522 AromaticContact CZ-CE2 3.84Å; Y518-Y522 VanDerWaalsContact O-CD2 3.29Å; Y518-Y522 WeakPolarHBondContact O-CD2 3.23Å; Y518-Y522 PolarHBondContact O-N 3.01Å
519Q92.1Very high85.1Confident100 Ų100104.1 Ų104.147%0.46757%0.567SS.*Hα-helixtrans-60.5-40174.8-72.7-176.6-23.100112W515 R516 V517 L521 Y522 A523W515-Q519 VanDerWaalsContact NE1-CD 3.33Å; W515-Q519 WeakPolarHBondContact O-CG 3.34Å; W515-Q519 PolarHBondContact O-N 2.67Å; R516-Q519 PolarHBondContact O-N 3.46Å; V517-Q519 PolarHBondContact O-N 3.16Å; Q519-L521 VanDerWaalsContact C-N 3.29Å; Q519-L521 PolarHBondContact O-N 3.41Å; Q519-Y522 PolarHBondContact O-N 3.23Å; Q519-A523 WeakPolarHBondContact O-CA 3.49Å; Q519-A523 WeakPolarHBondContact O-CB 3.47Å; Q519-A523 PolarHBondContact O-N 3.01Å
520G89.8Confident84.8Confident47 Ų47103.7 Ų103.749%0.48557%0.566SS.*Hα-helixtrans-65.5-28.9177.200000114.4R516 V517 Y518R516-G520 PolarHBondContact O-N 3.39Å; V517-G520 PolarHBondContact O-N 3.09Å; V517-G520 VanDerWaalsContact O-N 3.16Å; Y518-G520 VanDerWaalsContact C-N 3.31Å; Y518-G520 PolarHBondContact O-N 2.86Å
521L90.1Very high84.2Confident86 Ų86107.7 Ų107.745%0.4558%0.583SS.*Hα-helixtrans-83.6-33177.4-69.3173.2000113.1V517 Y518 Q519V517-L521 HydrophobicContact CG1-CD1 4.04Å; V517-L521 HydrophobicContact CG1-CG 4.46Å; V517-L521 WeakPolarHBondContact O-CG 3.2Å; V517-L521 PolarHBondContact O-N 2.64Å; Y518-L521 PolarHBondContact O-N 3.2Å; Q519-L521 VanDerWaalsContact C-N 3.29Å; Q519-L521 PolarHBondContact O-N 3.41Å
522Y85.1Confident83.6Confident127 Ų127107.6 Ų107.650%0.49858%0.575SS.*Hα-helixtrans-109.4-2.7-174.2-68.4-81.5000114.1Y518 Q519Y518-Y522 HydrophobicContact CD1-CD2 4.12Å; Y518-Y522 AromaticContact CD2-CD2 3.57Å; Y518-Y522 HydrophobicContact CD2-CD2 3.57Å; Y518-Y522 AromaticContact CD2-CE2 3.53Å; Y518-Y522 HydrophobicContact CD2-CE2 3.53Å; Y518-Y522 AromaticContact CE1-CD2 3.96Å; Y518-Y522 HydrophobicContact CE1-CD2 3.96Å; Y518-Y522 HydrophobicContact CE1-CG 4.38Å; Y518-Y522 AromaticContact CE2-CD2 3.38Å; Y518-Y522 HydrophobicContact CE2-CD2 3.38Å; Y518-Y522 AromaticContact CE2-CE2 3.23Å; Y518-Y522 HydrophobicContact CE2-CE2 3.23Å; Y518-Y522 HydrophobicContact CE2-CG 4.33Å; Y518-Y522 AromaticContact CG-CD2 3.93Å; Y518-Y522 HydrophobicContact CG-CD2 3.93Å; Y518-Y522 HydrophobicContact CG-CE2 4.35Å; Y518-Y522 AromaticContact CZ-CD2 3.58Å; Y518-Y522 AromaticContact CZ-CE2 3.84Å; Y518-Y522 VanDerWaalsContact O-CD2 3.29Å; Y518-Y522 WeakPolarHBondContact O-CD2 3.23Å; Y518-Y522 PolarHBondContact O-N 3.01Å; Q519-Y522 PolarHBondContact O-N 3.23Å
523A76.8Confident83Confident60 Ų60110.8 Ų110.850%0.49658%0.58SS.*SBendtrans-65.3125.5169.300000108.2Q519 S525Q519-A523 WeakPolarHBondContact O-CA 3.49Å; Q519-A523 WeakPolarHBondContact O-CB 3.47Å; Q519-A523 PolarHBondContact O-N 3.01Å; A523-S525 PolarHBondContact O-N 2.9Å; A523-S525 VanDerWaalsContact O-N 3.1Å
524P69.4Low82.2Confident110 Ų110116.1 Ų116.171%0.71461%0.61SS**  trans-60.6120.3174.725.3-31.2000107.8D526P524-D526 PolarHBondContact O-N 3.21Å
525S68.1Low81.3Confident106 Ų106112.2 Ų112.274%0.74161%0.608SS**  trans-62.393.9164.411.50000107.1A523 S527A523-S525 PolarHBondContact O-N 2.9Å; A523-S525 VanDerWaalsContact O-N 3.1Å; S525-S527 PolarHBondContact O-N 2.89Å; S525-S527 PolarHBondContact O-OG 3.14Å; S525-S527 VanDerWaalsContact O-OG 3.08Å
526D61.8Low80.3Confident166 Ų166108.3 Ų108.389%0.88861%0.609SS**  trans-51.3109.6170-93.7-23.2000107.5P524P524-D526 PolarHBondContact O-N 3.21Å
527S52.5Low79.2Confident181 Ų181104.1 Ų104.1100%1.26661%0.611SS**  trans-104.40179.7-60.50000110.3S525S525-S527 PolarHBondContact O-N 2.89Å; S525-S527 PolarHBondContact O-OG 3.14Å; S525-S527 VanDerWaalsContact O-OG 3.08Å

Retrieved 527 of 527 residues in 61.2 ms (Link to these results)