A0A3Q0KGP1_SCHMA Loading...

Lmp3-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KGP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 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
1M32Very low39.8Very low236 Ų236143.3 Ų143.3100%1.16370%0.697SS**  04.90-83.3-178.581.800113.4
2E34.1Very low40.7Very low168 Ų168146 Ų14679%0.78570%0.695SS**  trans-82.8-19.2-171.6-81.4174139.600116.3A4 S5E2-A4 PolarHBondContact O-N 3.46Å; E2-S5 PolarHBondContact O-OG 3.5Å
3N34.6Very low41.2Very low139 Ų139145.7 Ų145.774%0.74369%0.689SS**THydrogen-bonded Turntrans-86-8.1-165.7-70.2-6.5000116W6N3-W6 VanDerWaalsContact O-CD1 3.26Å; N3-W6 PolarHBondContact O-NE1 3.26Å
4A33.6Very low41.4Very low87 Ų87139.9 Ų139.972%0.71967%0.672SS**THydrogen-bonded Turntrans-92.7-15.4-178.100000114.1E2E2-A4 PolarHBondContact O-N 3.46Å
5S40.3Very low41.9Very low76 Ų76139.3 Ų139.353%0.53167%0.666SS.*Hα-helixtrans-81.1-29.5-172.720.50000114.2E2 N8 E9E2-S5 PolarHBondContact O-OG 3.5Å; S5-N8 PolarHBondContact O-N 3.31Å; S5-E9 PolarHBondContact O-N 3.4Å
6W38.9Very low42.6Very low148 Ų148136.8 Ų136.856%0.56166%0.661SS**Hα-helixtrans-78.4-30.2-167.173.4-80.8000114.6N3 N8N3-W6 VanDerWaalsContact O-CD1 3.26Å; N3-W6 PolarHBondContact O-NE1 3.26Å; W6-N8 VanDerWaalsContact C-N 3.29Å; W6-N8 PolarHBondContact O-N 2.95Å
7W36.1Very low43.2Very low177 Ų177134.4 Ų134.467%0.6765%0.652SS**Hα-helixtrans-67.5-34.3175.8-82.550.6000111.8
8N44Very low43.3Very low100 Ų100132.1 Ų132.154%0.53564%0.64SS.*Hα-helixtrans-76.6-35.4-175.9-126.9-22.6000111.7S5 W6 W12S5-N8 PolarHBondContact O-N 3.31Å; W6-N8 VanDerWaalsContact C-N 3.29Å; W6-N8 PolarHBondContact O-N 2.95Å; N8-W12 VanDerWaalsContact O-CB 3.24Å; N8-W12 WeakPolarHBondContact O-CB 3.15Å; N8-W12 PolarHBondContact O-N 2.95Å
9E45.8Very low43.4Very low126 Ų126129.9 Ų129.959%0.58964%0.638SS**Hα-helixtrans-69.6-38.8-177.2-135.7177-160.500112.3S5 K13S5-E9 PolarHBondContact O-N 3.4Å; E9-K13 WeakPolarHBondContact O-CB 3.34Å; E9-K13 PolarHBondContact O-N 2.85Å
10R47.3Very low43.4Very low202 Ų202127.7 Ų127.776%0.76264%0.635SS**Hα-helixtrans-68.6-43.2178.7-129.3179.9-170.6175.82.7112.2S14R10-S14 VanDerWaalsContact O-CB 3.28Å; R10-S14 WeakPolarHBondContact O-CB 3.41Å; R10-S14 PolarHBondContact O-N 2.82Å
11L51.7Low43.3Very low117 Ų117129.5 Ų129.561%0.61364%0.636SS**Hα-helixtrans-66.8-44.5175.8-81.2167.5000111.2K13 S14 F15L11-K13 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-N 3.35Å; L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.41Å; L11-F15 PolarHBondContact O-N 3.35Å
12W49.6Very low43.8Very low176 Ų176123.6 Ų123.667%0.66761%0.609SS**Hα-helixtrans-61.5-43.8176.1-10181000112.3N8 F15 V16N8-W12 VanDerWaalsContact O-CB 3.24Å; N8-W12 WeakPolarHBondContact O-CB 3.15Å; N8-W12 PolarHBondContact O-N 2.95Å; W12-F15 WeakPolarHBondContact O-CB 3.41Å; W12-F15 PolarHBondContact O-N 3.01Å; W12-V16 HydrophobicContact CE3-CG2 4.11Å; W12-V16 WeakPolarHBondContact O-CB 3.09Å; W12-V16 VanDerWaalsContact O-CG2 3.26Å; W12-V16 WeakPolarHBondContact O-CG2 3.5Å; W12-V16 PolarHBondContact O-N 3.11Å
13K48.1Very low44.1Very low142 Ų142122.6 Ų122.662%0.61761%0.609SS**Hα-helixtrans-66.1-42179.4-156.9172.3-173.8-178.10111.1E9 L11 F15 V16 D17E9-K13 WeakPolarHBondContact O-CB 3.34Å; E9-K13 PolarHBondContact O-N 2.85Å; L11-K13 PolarHBondContact O-N 2.88Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 2.88Å; K13-V16 PolarHBondContact O-N 3.3Å; K13-D17 WeakPolarHBondContact O-CB 3.34Å; K13-D17 VanDerWaalsContact O-CG 3.29Å; K13-D17 PolarHBondContact O-N 2.81Å
14S44.1Very low44.2Very low65 Ų65122 Ų12246%0.45561%0.606SS.*Hα-helixtrans-62.2-37.6172-173.60000112.3R10 L11 H18R10-S14 VanDerWaalsContact O-CB 3.28Å; R10-S14 WeakPolarHBondContact O-CB 3.41Å; R10-S14 PolarHBondContact O-N 2.82Å; L11-S14 PolarHBondContact O-N 3.35Å; S14-H18 WeakPolarHBondContact O-CA 3.34Å; S14-H18 WeakPolarHBondContact O-CB 3.26Å; S14-H18 PolarHBondContact O-N 3.39Å
15F47.9Very low44.1Very low131 Ų131119 Ų11958%0.57558%0.583SS**Hα-helixtrans-67.9-37.6176.9-146.2-80.8000112.7L11 W12 K13 L22L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.41Å; L11-F15 PolarHBondContact O-N 3.35Å; W12-F15 WeakPolarHBondContact O-CB 3.41Å; W12-F15 PolarHBondContact O-N 3.01Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 2.88Å; F15-L22 HydrophobicContact CD2-CD1 4.06Å; F15-L22 HydrophobicContact CE2-CD1 3.34Å; F15-L22 HydrophobicContact CZ-CD1 3.82Å
16V53Low43.7Very low98 Ų98122.7 Ų122.759%0.59459%0.594SS**Hα-helixtrans-74.9-41.2178.5171.40000111.1W12 K13W12-V16 HydrophobicContact CE3-CG2 4.11Å; W12-V16 WeakPolarHBondContact O-CB 3.09Å; W12-V16 VanDerWaalsContact O-CG2 3.26Å; W12-V16 WeakPolarHBondContact O-CG2 3.5Å; W12-V16 PolarHBondContact O-N 3.11Å; K13-V16 PolarHBondContact O-N 3.3Å
17D53.9Low43.6Very low96 Ų96122.4 Ų122.451%0.51360%0.603SS.*Hα-helixtrans-78-27.7-177.7-67.4-22.3000111.9K13K13-D17 WeakPolarHBondContact O-CB 3.34Å; K13-D17 VanDerWaalsContact O-CG 3.29Å; K13-D17 PolarHBondContact O-N 2.81Å
18H45.4Very low43.5Very low93 Ų93121.5 Ų121.543%0.43161%0.606SS.*  trans-142.563.3-169-62.9-52.3000114.3S14 S20 Y21S14-H18 WeakPolarHBondContact O-CA 3.34Å; S14-H18 WeakPolarHBondContact O-CB 3.26Å; S14-H18 PolarHBondContact O-N 3.39Å; H18-S20 PolarHBondContact O-N 2.85Å; H18-S20 VanDerWaalsContact O-N 3.11Å; H18-Y21 HydrophobicContact CB-CD2 3.6Å; H18-Y21 HydrophobicContact CB-CE2 4.27Å; H18-Y21 HydrophobicContact CB-CG 4.21Å; H18-Y21 AromaticContact CG-CD2 3.92Å; H18-Y21 PolarHBondContact O-N 3.26Å
19P43.8Very low42.8Very low92 Ų92126 Ų12660%0.59762%0.617SS**THydrogen-bonded Turntrans-61.9-23.3-17923.8-33.3000114
20S43.4Very low42.1Very low84 Ų84128.6 Ų128.659%0.58763%0.629SS**THydrogen-bonded Turntrans-81.9-16.3-179.849.30000114.7H18 L22 N23H18-S20 PolarHBondContact O-N 2.85Å; H18-S20 VanDerWaalsContact O-N 3.11Å; S20-L22 PolarHBondContact O-N 2.96Å; S20-N23 PolarHBondContact O-N 2.99Å; S20-N23 VanDerWaalsContact O-N 3.08Å
21Y41.2Very low41.4Very low167 Ų167126.7 Ų126.766%0.65563%0.629SS**Hα-helixtrans-65.3-22.1-178.5-96.3-101.5000113H18 N23 G25H18-Y21 HydrophobicContact CB-CD2 3.6Å; H18-Y21 HydrophobicContact CB-CE2 4.27Å; H18-Y21 HydrophobicContact CB-CG 4.21Å; H18-Y21 AromaticContact CG-CD2 3.92Å; H18-Y21 PolarHBondContact O-N 3.26Å; Y21-N23 VanDerWaalsContact C-N 3.32Å; Y21-N23 PolarHBondContact O-N 3.29Å; Y21-G25 PolarHBondContact O-N 3.05Å
22L42.9Very low40.4Very low112 Ų112126.3 Ų126.359%0.58664%0.636SS**Hα-helixtrans-72.5-21.3174.5-80.6169.5000114.2F15 S20F15-L22 HydrophobicContact CD2-CD1 4.06Å; F15-L22 HydrophobicContact CE2-CD1 3.34Å; F15-L22 HydrophobicContact CZ-CD1 3.82Å; S20-L22 PolarHBondContact O-N 2.96Å
23N41.2Very low39.5Very low146 Ų146124.6 Ų124.678%0.78164%0.639SS**Hα-helixtrans-83.4-23.9179.5-116.419.1000113S20 Y21S20-N23 PolarHBondContact O-N 2.99Å; S20-N23 VanDerWaalsContact O-N 3.08Å; Y21-N23 VanDerWaalsContact C-N 3.32Å; Y21-N23 PolarHBondContact O-N 3.29Å
24N35.9Very low38.6Very low128 Ų128120.8 Ų120.868%0.68464%0.639SS**Hα-helixtrans-105.6-22.8179.8-71.99.6000113.3M26 N27N24-M26 VanDerWaalsContact C-N 3.28Å; N24-M26 PolarHBondContact O-N 3.48Å; N24-N27 PolarHBondContact O-N 2.85Å
25G31.3Very low37.8Very low23 Ų23120.9 Ų120.924%0.23765%0.65CS.*Hα-helixtrans-71.3-14.6-178.100000115.4Y21 N27 E28 Y29Y21-G25 PolarHBondContact O-N 3.05Å; G25-N27 VanDerWaalsContact C-N 3.26Å; G25-N27 PolarHBondContact O-N 2.83Å; G25-E28 PolarHBondContact O-N 3.45Å; G25-Y29 WeakPolarHBondContact O-CD2 3.16Å
26M33.1Very low36.8Very low154 Ų154119.7 Ų119.776%0.75965%0.654SS**Hα-helixtrans-70.9-20.1176.1-82.2-68.5-150.500113.3N24N24-M26 VanDerWaalsContact C-N 3.28Å; N24-M26 PolarHBondContact O-N 3.48Å
27N36.1Very low35.6Very low142 Ų142125.8 Ų125.876%0.75967%0.666SS**Hα-helixtrans-90.1-19.9177.5-72.8-4.2000113.3N24 G25N24-N27 PolarHBondContact O-N 2.85Å; G25-N27 VanDerWaalsContact C-N 3.26Å; G25-N27 PolarHBondContact O-N 2.83Å
28E33.4Very low34.4Very low157 Ų157131.1 Ų131.173%0.73468%0.68SS**Hα-helixtrans-85.6-17.9178.6-73-178.3173.600112.8G25G25-E28 PolarHBondContact O-N 3.45Å
29Y29.8Very low33.5Very low195 Ų195132.9 Ų132.977%0.76570%0.698SS**THydrogen-bonded Turntrans-86.64.6176.6-86.1-78.4000115.1G25 Q31G25-Y29 WeakPolarHBondContact O-CD2 3.16Å; Y29-Q31 VanDerWaalsContact C-N 3.28Å
30E30.9Very low32.8Very low180 Ų180132.4 Ų132.484%0.84170%0.697SS**THydrogen-bonded Turntrans-83.6-1.6165.6-80.9-162.1159.500113.4S32E30-S32 PolarHBondContact O-N 2.96Å
31Q32.7Very low32Very low163 Ų163137.4 Ų137.476%0.76271%0.711SS**SBendtrans-92.8107.6177.1-140.6157.513.400111.4Y29Y29-Q31 VanDerWaalsContact C-N 3.28Å
32S30.2Very low31.3Very low109 Ų109137.5 Ų137.576%0.76272%0.717SS**  trans85.320.7153.7-45.70000119.9E30 G34E30-S32 PolarHBondContact O-N 2.96Å; S32-G34 PolarHBondContact O-N 3.08Å
33I32.7Very low30.6Very low140 Ų140137.2 Ų137.272%0.71873%0.725SS**  trans-7691.8156.5-62.2172.6000106.9G35I33-G35 PolarHBondContact O-N 3.03Å
34G27.7Very low29.8Very low61 Ų61134.8 Ų134.863%0.62972%0.719SS**  trans-40.2132.2172.900000110.6S32 V36S32-G34 PolarHBondContact O-N 3.08Å; G34-V36 PolarHBondContact O-N 2.9Å
35G26.7Very low29.3Very low67 Ų67135.8 Ų135.869%0.69172%0.724SS**  trans-41.8110.1-172.100000112.1I33 R37I33-G35 PolarHBondContact O-N 3.03Å; G35-R37 PolarHBondContact O-N 3.02Å
36V27.5Very low29.2Very low106 Ų106141.2 Ų141.264%0.64275%0.753SS**  trans-60.694.6157.1177.40000104.8G34 Y38G34-V36 PolarHBondContact O-N 2.9Å; V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 WeakPolarHBondContact O-CD2 3.4Å; V36-Y38 PolarHBondContact O-N 3.21Å
37R27.7Very low29Very low226 Ų226142.7 Ų142.785%0.85376%0.755SS**  trans-60.198.4174.2-71-179.8-177.9-179.50.7106.5G35 T39G35-R37 PolarHBondContact O-N 3.02Å; R37-T39 VanDerWaalsContact C-N 3.29Å; R37-T39 PolarHBondContact O-N 3.03Å
38Y28.3Very low28.5Very low208 Ų208144.5 Ų144.582%0.81676%0.759SS**  trans-63.196.2165.5-79.7-90.3000107.2V36 S40V36-Y38 VanDerWaalsContact C-N 3.31Å; V36-Y38 WeakPolarHBondContact O-CD2 3.4Å; V36-Y38 PolarHBondContact O-N 3.21Å; Y38-S40 PolarHBondContact O-N 3.44Å
39T27.4Very low28.2Very low130 Ų130142.8 Ų142.880%0.79876%0.759SS**  trans-74.162.6166.148.60000108.9R37 Q41R37-T39 VanDerWaalsContact C-N 3.29Å; R37-T39 PolarHBondContact O-N 3.03Å; T39-Q41 VanDerWaalsContact C-N 3.31Å; T39-Q41 PolarHBondContact O-N 3.39Å
40S29.1Very low28.1Very low82 Ų82144.1 Ų144.157%0.57376%0.763SS**  trans-72.593.6163.9162.40000106.9Y38 Q42Y38-S40 PolarHBondContact O-N 3.44Å; S40-Q42 PolarHBondContact O-N 3.06Å
41Q25.9Very low28.1Very low190 Ų190143 Ų14389%0.88876%0.762SS**  trans-57.983.1159.7-77.4179.3-18.200108.3T39 S43T39-Q41 VanDerWaalsContact C-N 3.31Å; T39-Q41 PolarHBondContact O-N 3.39Å; Q41-S43 PolarHBondContact O-N 2.95Å; Q41-S43 VanDerWaalsContact O-N 3.11Å
42Q27.8Very low27.9Very low168 Ų168139.5 Ų139.579%0.78576%0.755SS**  trans-75.196.2168.2-100178.1-11.400107.4S40 S44S40-Q42 PolarHBondContact O-N 3.06Å; Q42-S44 PolarHBondContact O-N 2.8Å; Q42-S44 VanDerWaalsContact O-N 3.16Å
43S26.5Very low27.8Very low107 Ų107141.9 Ų141.975%0.74876%0.759SS**  trans-60.8111.2158.642.90000108.6Q41Q41-S43 PolarHBondContact O-N 2.95Å; Q41-S43 VanDerWaalsContact O-N 3.11Å
44S25.7Very low27.4Very low94 Ų94142 Ų14266%0.65776%0.759SS**SBendtrans35.6133.7145.761.40000120.2Q42Q42-S44 PolarHBondContact O-N 2.8Å; Q42-S44 VanDerWaalsContact O-N 3.16Å
45N26Very low27.5Very low149 Ų149143.7 Ų143.780%0.79776%0.76SS**  trans9849.7155.9-55.5-30.8000117.8
46V28Very low27.5Very low138 Ų138148 Ų14884%0.83677%0.765SS**  trans-94.5101.7145.2-170.60000107.1Q48V46-Q48 PolarHBondContact O-N 2.85Å
47K29.4Very low27.4Very low185 Ų185148.3 Ų148.380%0.80477%0.767SS**  trans-48.2113.2171.9-72.4175.9175.4178.20108.4V49K47-V49 VanDerWaalsContact C-N 3.33Å; K47-V49 PolarHBondContact O-N 2.91Å
48Q25.9Very low27.5Very low180 Ų180142.1 Ų142.184%0.84176%0.758SS**  trans-57.8101.1163.8-88.4-178.7-10.100107.4V46 R50V46-Q48 PolarHBondContact O-N 2.85Å; Q48-R50 PolarHBondContact O-N 2.95Å
49V27.1Very low27.3Very low121 Ų121138 Ų13873%0.73376%0.755SS**  trans-6995.3162178.70000104.8K47 L51K47-V49 VanDerWaalsContact C-N 3.33Å; K47-V49 PolarHBondContact O-N 2.91Å; V49-L51 PolarHBondContact O-N 2.89Å
50R26.3Very low27.3Very low223 Ų223139.1 Ų139.184%0.84276%0.755SS**  trans-56.495.1164-81.6-179.8173.6139.6-2.6106.7Q48 S52Q48-R50 PolarHBondContact O-N 2.95Å; R50-S52 PolarHBondContact O-N 3.21Å
51L30.7Very low27.2Very low157 Ų157140.3 Ų140.382%0.82276%0.761SS**  trans-67.296.5157.2-78.9161.7000105.1V49 N53V49-L51 PolarHBondContact O-N 2.89Å; L51-N53 PolarHBondContact O-N 2.78Å
52S28.9Very low27.2Very low88 Ų88137.8 Ų137.862%0.61575%0.753SS**  trans-39.7127.6166.946.30000110.1R50 I54R50-S52 PolarHBondContact O-N 3.21Å; S52-I54 PolarHBondContact O-N 3.15Å
53N28.3Very low27.2Very low159 Ų159138.2 Ų138.285%0.8576%0.759SS**  trans-38.198.9165.7-60.7-25.3000110.5L51 P55L51-N53 PolarHBondContact O-N 2.78Å; N53-P55 WeakPolarHBondContact O-CD 3.21Å
54I24.6Very low27.1Very low142 Ų142136.7 Ų136.773%0.72875%0.748SS**  trans-96.597.6159.7-62.5172.7000104.4S52 I56S52-I54 PolarHBondContact O-N 3.15Å; I54-I56 PolarHBondContact O-N 2.99Å; I54-I56 VanDerWaalsContact O-N 3.11Å
55P29.3Very low27.1Very low97 Ų97138.8 Ų138.863%0.6375%0.752SS**  trans-62.7114.617124.7-30.8000107.7N53 V57N53-P55 WeakPolarHBondContact O-CD 3.21Å; P55-V57 PolarHBondContact O-N 3.42Å
56I27.9Very low27.3Very low157 Ų157139.9 Ų139.981%0.80576%0.756SS**  trans-70.992166.2-61.1174.2000105.6I54 S58I54-I56 PolarHBondContact O-N 2.99Å; I54-I56 VanDerWaalsContact O-N 3.11Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.92Å
57V25.6Very low27.3Very low113 Ų113140.1 Ų140.169%0.68575%0.752SS**  trans-67.392.3169178.30000106.7P55 T59P55-V57 PolarHBondContact O-N 3.42Å; V57-T59 PolarHBondContact O-N 2.84Å
58S27.9Very low27.1Very low96 Ų96142.1 Ų142.167%0.67175%0.754SS**  trans-89.293.7160.863.20000108.2I56 I60I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.92Å; S58-I60 PolarHBondContact O-N 2.9Å
59T24Very low27.1Very low122 Ų122138.6 Ų138.675%0.74875%0.75SS**  trans-53.498.5163.611.80000109.7V57V57-T59 PolarHBondContact O-N 2.84Å
60I28.5Very low27Very low153 Ų153140.6 Ų140.679%0.78576%0.756SS**  trans-102.4106.8154.7-61.5178.4000106.4S58S58-I60 PolarHBondContact O-N 2.9Å
61P27Very low27.1Very low108 Ų108135.1 Ų135.170%0.70175%0.752SS**  trans-77.9138.6176.530.7-31.2000110.9
62N25Very low26.9Very low137 Ų137135.7 Ų135.773%0.73376%0.756SS**  trans80.482.4140.7-148.813.4000118.4
63I28.1Very low26.9Very low176 Ų176136.6 Ų136.690%0.90376%0.763SS**  trans-130.4107.2132.6-56.3-179.8000108.3
64S25.1Very low26.8Very low75 Ų75135.7 Ų135.752%0.52476%0.758SS.*  trans-70.4150.6168.449.90000112.6
65N25.6Very low26.8Very low139 Ų139138.5 Ų138.574%0.74376%0.761SS**  trans75.885.5153.3-58.1-20.8000118.5
66I29.1Very low26.7Very low172 Ų172142 Ų14288%0.88277%0.768SS**  trans-128.1114130-64.4-178000107.7
67L28.2Very low26.7Very low142 Ų142142.6 Ų142.674%0.74377%0.773SS**  trans-57.3148.8164.7-71.183.7000109.6
68R25.1Very low26.9Very low227 Ų227141.6 Ų141.686%0.85777%0.767SS**  149.5143.2101-149.5166.9-169.6170.30.2112
69S26.3Very low26.9Very low106 Ų106143.9 Ų143.974%0.74177%0.771SS**  trans72.7102158.636.20000119.5
70N25Very low27Very low164 Ų164143.6 Ų143.688%0.87776%0.764SS**  trans-57.5138.9146.5-64.9-27.8000111
71S28.2Very low27Very low108 Ų108145.7 Ų145.776%0.75577%0.768SS**  trans-162.7113.9145460000109.2S73S71-S73 PolarHBondContact O-N 2.83Å
72D26.3Very low27.1Very low169 Ų169146.7 Ų146.790%0.90477%0.767SS**  trans-58.6119.9168.1-64.1-63.4000111.1
73S30.3Very low27.3Very low107 Ų107145 Ų14575%0.74877%0.767SS**  trans-163.793151.560.80000110.9S71S71-S73 PolarHBondContact O-N 2.83Å
74N24.5Very low27.3Very low140 Ų140144.7 Ų144.775%0.74976%0.761SS**  11.7127.5128.4-102.3-18.9000118.5
75Y26.7Very low27.4Very low201 Ų201146.7 Ų146.779%0.78877%0.771SS**  trans63.295.8157.2-61.9-80.1000118.6
76Q26.6Very low27.3Very low170 Ų170145.5 Ų145.579%0.79477%0.768SS**  -161.7102.8123.3-145.494.121.800107.8V78Q76-V78 HydrophobicContact CB-CG2 3.99Å; Q76-V78 HydrophobicContact CG-CG2 3.48Å; Q76-V78 VanDerWaalsContact CG-CG2 3.48Å; Q76-V78 PolarHBondContact O-N 2.94Å
77N27Very low27.2Very low170 Ų170143.1 Ų143.191%0.90976%0.762SS**  trans-68.370.7161.3-93.9-19.5000107.5I79N77-I79 VanDerWaalsContact C-N 3.35Å; N77-I79 PolarHBondContact O-N 2.87Å
78V29.5Very low27.1Very low92 Ų92145.8 Ų145.856%0.55877%0.768SS**  trans-78.6101.6158.9-172.40000103.8Q76 N80Q76-V78 HydrophobicContact CB-CG2 3.99Å; Q76-V78 HydrophobicContact CG-CG2 3.48Å; Q76-V78 VanDerWaalsContact CG-CG2 3.48Å; Q76-V78 PolarHBondContact O-N 2.94Å; V78-N80 WeakPolarHBondContact CG1-OD1 3.37Å; V78-N80 PolarHBondContact O-N 3.21Å
79I28Very low27.2Very low144 Ų144142.6 Ų142.674%0.73876%0.763SS**  trans-60.587160.4-61.9169.7000104.1N77 F81N77-I79 VanDerWaalsContact C-N 3.35Å; N77-I79 PolarHBondContact O-N 2.87Å; I79-F81 PolarHBondContact O-N 3.11Å
80N27.1Very low27.2Very low116 Ų116144.1 Ų144.162%0.6276%0.763SS**  trans-60.2110169-91.3-6.6000105V78 D82V78-N80 WeakPolarHBondContact CG1-OD1 3.37Å; V78-N80 PolarHBondContact O-N 3.21Å; N80-D82 PolarHBondContact O-N 2.95Å
81F28.4Very low27.4Very low197 Ų197141.1 Ų141.186%0.86475%0.746SS**  trans-60.473.9152.6-88.5-95.2000106.7I79 S83I79-F81 PolarHBondContact O-N 3.11Å; F81-S83 PolarHBondContact O-N 3.35Å
82D30Very low27.4Very low128 Ų128141 Ų14168%0.68475%0.745SS**  trans-66.997.7155.6-88.8-21000104.4N80 Q84N80-D82 PolarHBondContact O-N 2.95Å; D82-Q84 PolarHBondContact O-N 3.44Å
83S28.5Very low27.6Very low103 Ų103138.9 Ų138.972%0.7274%0.739SS**  trans-54.777.2157.947.70000107.7F81 T85F81-S83 PolarHBondContact O-N 3.35Å; S83-T85 PolarHBondContact O-N 2.93Å
84Q27.5Very low27.6Very low169 Ų169139.9 Ų139.979%0.7974%0.736SS**  trans-64.788.2155.8-82.7-169.616.100105.6D82 T86D82-Q84 PolarHBondContact O-N 3.44Å; Q84-T86 PolarHBondContact O-N 2.86Å
85T26.9Very low27.9Very low117 Ų117143 Ų14372%0.71874%0.742SS**  trans-50.195150.540.90000105.7S83 T87S83-T85 PolarHBondContact O-N 2.93Å; T85-T87 PolarHBondContact O-N 3.02Å
86T25Very low28.1Very low113 Ų113138.1 Ų138.169%0.69374%0.738SS**  trans-58.394.316135.50000105.6Q84 F88Q84-T86 PolarHBondContact O-N 2.86Å; T86-F88 PolarHBondContact O-N 3.01Å; T86-F88 VanDerWaalsContact O-N 3.12Å
87T25.8Very low28.4Very low122 Ų122135.2 Ų135.275%0.74874%0.736SS**  trans-57116.7165.429.90000105.3T85 Q89T85-T87 PolarHBondContact O-N 3.02Å; T87-Q89 PolarHBondContact O-N 2.92Å
88F27Very low28.3Very low198 Ų198134.3 Ų134.387%0.86873%0.731SS**  trans-61.289.7170.5-75.2-92.1000106.9T86 D90T86-F88 PolarHBondContact O-N 3.01Å; T86-F88 VanDerWaalsContact O-N 3.12Å; F88-D90 VanDerWaalsContact C-N 3.34Å; F88-D90 PolarHBondContact O-N 2.95Å; F88-D90 VanDerWaalsContact O-N 3.09Å
89Q26.3Very low28.5Very low161 Ų161134.8 Ų134.875%0.75274%0.736SS**  trans-74.7100.7167.3-146.1167.913.800104.8T87 N91T87-Q89 PolarHBondContact O-N 2.92Å; Q89-N91 PolarHBondContact O-N 3.28Å
90D27.1Very low28.6Very low138 Ų138136.5 Ų136.574%0.73874%0.741SS**  trans-54.388.8170.4-104-27.2000108.4F88 S92F88-D90 VanDerWaalsContact C-N 3.34Å; F88-D90 PolarHBondContact O-N 2.95Å; F88-D90 VanDerWaalsContact O-N 3.09Å; D90-S92 PolarHBondContact O-N 2.93Å
91N28.4Very low28.8Very low100 Ų100138.6 Ų138.654%0.53575%0.752SS.*  trans-74.240.4171.8-79.1-22.9000110.8Q89 T93 L94Q89-N91 PolarHBondContact O-N 3.28Å; N91-T93 PolarHBondContact O-N 2.83Å; N91-L94 PolarHBondContact O-N 3.18Å
92S28.8Very low29Very low105 Ų105134.8 Ų134.873%0.73475%0.748SS**THydrogen-bonded Turntrans-65-3.1173.760.30000113D90D90-S92 PolarHBondContact O-N 2.93Å
93T30.4Very low29.1Very low126 Ų126132.5 Ų132.577%0.77374%0.742SS**THydrogen-bonded Turntrans-104.3-9.6176.8470000114.8N91 K95N91-T93 PolarHBondContact O-N 2.83Å; T93-K95 PolarHBondContact O-N 3.19Å
94L29.7Very low29.4Very low128 Ų128134 Ų13467%0.6774%0.742SS**SBendtrans-88.894.8169.5-87.7143.4000107.9N91 S96N91-L94 PolarHBondContact O-N 3.18Å; L94-S96 PolarHBondContact O-N 2.89Å
95K30.5Very low29.8Very low205 Ų205129.6 Ų129.689%0.89173%0.729SS**  trans-44.798.2159.9-80.1177.1176.6173.90107.2T93 S97T93-K95 PolarHBondContact O-N 3.19Å; K95-S97 PolarHBondContact O-N 2.96Å
96S31Very low30.1Very low99 Ų99129.9 Ų129.969%0.69273%0.726SS**  trans-57.9119.4168.150.40000105L94 N98L94-S96 PolarHBondContact O-N 2.89Å; S96-N98 PolarHBondContact O-N 2.84Å
97S33.1Very low30.6Very low109 Ų109132.2 Ų132.276%0.76273%0.727SS**  trans-46117162.547.10000105.8K95 P99K95-S97 PolarHBondContact O-N 2.96Å; S97-P99 VanDerWaalsContact O-N 3.09Å
98N26.3Very low30.9Very low151 Ų151133 Ų13381%0.80772%0.722SS**  trans-34.6122.1-179.7-103.5-33.4000108.4S96 Q100S96-N98 PolarHBondContact O-N 2.84Å; N98-Q100 PolarHBondContact O-N 2.91Å
99P31.8Very low31.2Very low101 Ų101129.1 Ų129.166%0.65671%0.707SS**  trans-49.7121179.920.1-30.7000105.8S97 L101S97-P99 VanDerWaalsContact O-N 3.09Å; P99-L101 PolarHBondContact O-N 3Å
100Q31.3Very low31.6Very low180 Ų180126.6 Ų126.684%0.84170%0.697SS**  trans-52.9103.6177.5-155.7169.910.400103.9N98 C102N98-Q100 PolarHBondContact O-N 2.91Å; Q100-C102 PolarHBondContact O-N 3.05Å
101L31.3Very low31.8Very low161 Ų161123.5 Ų123.584%0.84369%0.686SS**  trans-58.297.1176-86.5156.4000102.8P99 S103P99-L101 PolarHBondContact O-N 3Å; L101-S103 PolarHBondContact O-N 2.83Å
102C32.6Very low32Very low116 Ų116121.5 Ų121.578%0.78468%0.679SS**  trans-61.380.4162.9-74.60000103.3Q100 N104Q100-C102 PolarHBondContact O-N 3.05Å; C102-N104 PolarHBondContact O-N 3.02Å
103S32.2Very low32.5Very low80 Ų80127.1 Ų127.156%0.55968%0.684SS**  trans-56.8107.5-17953.20000104.6L101 S105L101-S103 PolarHBondContact O-N 2.83Å; S103-S105 PolarHBondContact O-N 3.03Å
104N33.7Very low32.6Very low136 Ų136128.7 Ų128.773%0.72768%0.683SS**  trans-31.496.8-176.9-77.9-46.9000110.8C102 L106 F107C102-N104 PolarHBondContact O-N 3.02Å; N104-L106 PolarHBondContact O-N 3.08Å; N104-F107 PolarHBondContact O-N 3.2Å; N104-F107 VanDerWaalsContact O-N 3.12Å
105S36Very low32.8Very low75 Ų75126.4 Ų126.452%0.52467%0.674SS.*Hα-helixtrans-62.3-13.8-177.1640000111.1S103 Q109S103-S105 PolarHBondContact O-N 3.03Å; S105-Q109 WeakPolarHBondContact O-CB 3.46Å; S105-Q109 WeakPolarHBondContact O-CG 3.1Å; S105-Q109 PolarHBondContact O-N 2.75Å
106L34.5Very low32.8Very low124 Ų124122.1 Ų122.165%0.64966%0.658SS**Hα-helixtrans-65.4-42.1175-145.283.7000112.6N104 Q109 I110N104-L106 PolarHBondContact O-N 3.08Å; L106-Q109 PolarHBondContact O-N 3.5Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 PolarHBondContact O-N 3.09Å; L106-I110 VanDerWaalsContact O-N 3.13Å
107F33.8Very low32.8Very low161 Ų161122.5 Ų122.571%0.70665%0.653SS**Hα-helixtrans-75.3-36.5-178.9-141.4-87.4000111.2N104 I110 C111N104-F107 PolarHBondContact O-N 3.2Å; N104-F107 VanDerWaalsContact O-N 3.12Å; F107-I110 PolarHBondContact O-N 3.49Å; F107-C111 PolarHBondContact O-N 3.02Å
108Q33.2Very low32.6Very low138 Ų138123 Ų12365%0.64565%0.647SS**Hα-helixtrans-70.9-31.3171.5-88.3-171-6.100113.2C111 S112Q108-C111 CarbonylContact O-C 3.4Å; Q108-C111 PolarHBondContact O-N 2.99Å; Q108-S112 WeakPolarHBondContact O-CB 3.44Å; Q108-S112 PolarHBondContact O-N 2.9Å
109Q33.9Very low32.9Very low117 Ų117121.1 Ų121.155%0.54764%0.635SS.*Hα-helixtrans-66.5-37.2173.7-85.4-179.3-3.700111.6S105 L106 C111 S112S105-Q109 WeakPolarHBondContact O-CB 3.46Å; S105-Q109 WeakPolarHBondContact O-CG 3.1Å; S105-Q109 PolarHBondContact O-N 2.75Å; L106-Q109 PolarHBondContact O-N 3.5Å; Q109-C111 VanDerWaalsContact C-N 3.31Å; Q109-C111 PolarHBondContact O-N 3.04Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.84Å; Q109-S112 VanDerWaalsContact O-N 3.16Å; Q109-S112 PolarHBondContact O-OG 2.89Å
110I34.3Very low32.9Very low109 Ų109123 Ų12356%0.55963%0.634SS**Hα-helixtrans-68.6-33.6174.6-63.3168.1000111L106 F107 S112L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 PolarHBondContact O-N 3.09Å; L106-I110 VanDerWaalsContact O-N 3.13Å; F107-I110 PolarHBondContact O-N 3.49Å; I110-S112 VanDerWaalsContact C-N 3.32Å
111C31.1Very low33Very low73 Ų73119.1 Ų119.149%0.49363%0.627SS.*Hα-helixtrans-83.3-3.3173.2-63.60000114.2F107 Q108 Q109 R113F107-C111 PolarHBondContact O-N 3.02Å; Q108-C111 CarbonylContact O-C 3.4Å; Q108-C111 PolarHBondContact O-N 2.99Å; Q109-C111 VanDerWaalsContact C-N 3.31Å; Q109-C111 PolarHBondContact O-N 3.04Å; C111-R113 PolarHBondContact O-N 2.82Å
112S33.5Very low33.3Very low57 Ų57117.9 Ų117.940%0.39962%0.62SS.*SBendtrans-71.4126.7178.672.10000109.1Q108 Q109 I110 H114 V115Q108-S112 WeakPolarHBondContact O-CB 3.44Å; Q108-S112 PolarHBondContact O-N 2.9Å; Q109-S112 WeakPolarHBondContact O-CB 3.43Å; Q109-S112 PolarHBondContact O-N 2.84Å; Q109-S112 VanDerWaalsContact O-N 3.16Å; Q109-S112 PolarHBondContact O-OG 2.89Å; I110-S112 VanDerWaalsContact C-N 3.32Å; S112-H114 PolarHBondContact O-N 2.75Å; S112-V115 PolarHBondContact O-N 2.84Å; S112-V115 VanDerWaalsContact O-N 3.1Å
113R37.3Very low33.3Very low224 Ų224120.8 Ų120.885%0.84562%0.615SS**Hα-helixtrans-49.5-19.8-161.7-86.8178.2170178.7-2.8116.5C111 M116 N117C111-R113 PolarHBondContact O-N 2.82Å; R113-M116 PolarHBondContact O-N 3.06Å; R113-N117 PolarHBondContact O-N 2.95Å
114H34Very low33.3Very low158 Ų158119.1 Ų119.173%0.73161%0.611SS**Hα-helixtrans-70.3-28.6179.1-94.9-43.2000114.4S112S112-H114 PolarHBondContact O-N 2.75Å
115V33Very low33.3Very low81 Ų81120.6 Ų120.649%0.49162%0.619SS.*Hα-helixtrans-72.2-33.8176.5-174.20000111.1S112 N117 N118S112-V115 PolarHBondContact O-N 2.84Å; S112-V115 VanDerWaalsContact O-N 3.1Å; V115-N117 PolarHBondContact O-N 2.82Å; V115-N118 PolarHBondContact O-N 3.22Å
116M31.8Very low33.3Very low114 Ų114126.7 Ų126.756%0.56263%0.631SS**Hα-helixtrans-71.5-25.4178.7-70.4-145-173.600114.2R113 M119 H120R113-M116 PolarHBondContact O-N 3.06Å; M116-M119 PolarHBondContact O-N 3.03Å; M116-H120 PolarHBondContact O-ND1 3.24Å
117N30.9Very low33.4Very low107 Ų107126.7 Ų126.757%0.57264%0.641SS**Hα-helixtrans-73-27.8177-84.11.6000112.8R113 V115 H120R113-N117 PolarHBondContact O-N 2.95Å; V115-N117 PolarHBondContact O-N 2.82Å; N117-H120 PolarHBondContact O-N 2.9Å
118N28.8Very low33.5Very low121 Ų121128.4 Ų128.465%0.64764%0.643SS**Hα-helixtrans-77.9-21.3174.5-79.6-19.4000113.3V115 H120 S121V115-N118 PolarHBondContact O-N 3.22Å; N118-H120 VanDerWaalsContact C-N 3.31Å; N118-H120 PolarHBondContact O-N 3.16Å; N118-S121 PolarHBondContact O-N 2.75Å
119M31.2Very low34Very low111 Ų111127.7 Ų127.755%0.54765%0.65SS.*Hα-helixtrans-69-30.2171.8-75.5-91.2-106.700112.2M116 S121 I122 Y123M116-M119 PolarHBondContact O-N 3.03Å; M119-S121 VanDerWaalsContact C-N 3.25Å; M119-S121 PolarHBondContact O-N 2.8Å; M119-I122 PolarHBondContact O-N 2.83Å; M119-Y123 WeakPolarHBondContact O-CD2 3.45Å; M119-Y123 PolarHBondContact O-N 2.79Å
120H31.6Very low34.4Very low140 Ų140130.1 Ų130.165%0.64867%0.666SS**Hα-helixtrans-70.3-21.5176.5-73.476000113.1M116 N117 N118M116-H120 PolarHBondContact O-ND1 3.24Å; N117-H120 PolarHBondContact O-N 2.9Å; N118-H120 VanDerWaalsContact C-N 3.31Å; N118-H120 PolarHBondContact O-N 3.16Å
121S35.1Very low34.4Very low98 Ų98128.1 Ų128.169%0.68567%0.672SS**Hα-helixtrans-79.3-24.9175.1-168.40000113.1N118 M119N118-S121 PolarHBondContact O-N 2.75Å; M119-S121 VanDerWaalsContact C-N 3.25Å; M119-S121 PolarHBondContact O-N 2.8Å
122I36Very low34.7Very low135 Ų135129.2 Ų129.269%0.69268%0.681SS**Hα-helixtrans-79.7-31.6177.2-57.8176.6000110.1M119 G124M119-I122 PolarHBondContact O-N 2.83Å; I122-G124 PolarHBondContact O-N 2.89Å; I122-G124 VanDerWaalsContact O-N 3.14Å
123Y33Very low34.7Very low177 Ų177134 Ų13469%0.69470%0.701SS**SBendtrans-9059.1171.2-64.2-75.7000111.3M119 N125M119-Y123 WeakPolarHBondContact O-CD2 3.45Å; M119-Y123 PolarHBondContact O-N 2.79Å; Y123-N125 PolarHBondContact O-N 3.46Å
124G33.2Very low34.4Very low46 Ų46132.2 Ų132.247%0.47470%0.695SS.*  trans-55.2102.3168.100000110.5I122 R126I122-G124 PolarHBondContact O-N 2.89Å; I122-G124 VanDerWaalsContact O-N 3.14Å; G124-R126 WeakPolarHBondContact O-CG 3.31Å; G124-R126 PolarHBondContact O-N 3.49Å
125N33.2Very low34.3Very low166 Ų166128.7 Ų128.789%0.88868%0.684SS**SBendtrans40.330.5155.6-111.6-2.2000118.4Y123 S127Y123-N125 PolarHBondContact O-N 3.46Å; N125-S127 PolarHBondContact O-N 2.86Å
126R35.5Very low34.2Very low204 Ų204133.4 Ų133.477%0.7769%0.694SS**  trans-100.186.6174.7-73.3179.3-175.2-161.92.6108G124 R128G124-R126 WeakPolarHBondContact O-CG 3.31Å; G124-R126 PolarHBondContact O-N 3.49Å; R126-R128 HydrophobicContact CB-CG 4.48Å; R126-R128 PolarHBondContact O-N 2.89Å
127S36.2Very low34.2Very low123 Ų123137.2 Ų137.286%0.8670%0.704SS**  trans-61.747.6157.958.90000111.6N125N125-S127 PolarHBondContact O-N 2.86Å
128R37.1Very low34.4Very low197 Ų197140.2 Ų140.274%0.74372%0.718SS**  trans-94.8117169.8-70.7-168.2177-150-1105.7R126 L130R126-R128 HydrophobicContact CB-CG 4.48Å; R126-R128 PolarHBondContact O-N 2.89Å; R128-L130 PolarHBondContact O-N 3.12Å; R128-L130 VanDerWaalsContact O-N 3.15Å
129P42.5Very low34.7Very low123 Ų123140.3 Ų140.380%0.79972%0.724SS**  trans-52.6126.8175.321.2-30.4000107.7G131P129-G131 PolarHBondContact O-N 3.05Å
130L43.8Very low34.8Very low168 Ų168144.4 Ų144.488%0.8873%0.733SS**  trans-45111.2172.8-69.4159.2000106.6R128 S132R128-L130 PolarHBondContact O-N 3.12Å; R128-L130 VanDerWaalsContact O-N 3.15Å; L130-S132 PolarHBondContact O-N 2.97Å
131G33.1Very low35.1Very low68 Ų68143.7 Ų143.770%0.70174%0.741SS**  trans-51.6134.8177.400000107.9P129 L133P129-G131 PolarHBondContact O-N 3.05Å; G131-L133 PolarHBondContact O-N 2.87Å
132S38.7Very low35.1Very low96 Ų96147.6 Ų147.667%0.67175%0.748SS**  trans-50.5113.9-173.773.50000108.9L130 R134L130-S132 PolarHBondContact O-N 2.97Å; S132-R134 VanDerWaalsContact C-N 3.34Å; S132-R134 PolarHBondContact O-N 3.1Å
133L33.1Very low35.1Very low158 Ų158146.3 Ų146.383%0.82775%0.751SS**  trans-64.499.4176-161.985.7000106.4G131 V135G131-L133 PolarHBondContact O-N 2.87Å; L133-V135 HydrophobicContact CD2-CG2 4.01Å; L133-V135 HydrophobicContact CG-CG2 4.45Å; L133-V135 PolarHBondContact O-N 3.2Å; L133-V135 VanDerWaalsContact O-N 3.09Å
134R30.1Very low35Very low186 Ų186142.1 Ų142.170%0.70275%0.753SS**  trans-7697.9172.7-77.8-175.7-178.1176.50.2107.1S132 Y136S132-R134 VanDerWaalsContact C-N 3.34Å; S132-R134 PolarHBondContact O-N 3.1Å; R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.78Å; R134-Y136 WeakPolarHBondContact O-CD2 3.39Å; R134-Y136 PolarHBondContact O-N 2.94Å
135V32.2Very low34.8Very low83 Ų83143.4 Ų143.450%0.50376%0.759SS.*  trans-75.8104.8170.3-177.70000106.9L133 Y137L133-V135 HydrophobicContact CD2-CG2 4.01Å; L133-V135 HydrophobicContact CG-CG2 4.45Å; L133-V135 PolarHBondContact O-N 3.2Å; L133-V135 VanDerWaalsContact O-N 3.09Å; V135-Y137 HydrophobicContact CB-CE2 4.25Å; V135-Y137 HydrophobicContact CG1-CD2 4.23Å; V135-Y137 HydrophobicContact CG1-CE1 4.19Å; V135-Y137 HydrophobicContact CG1-CE2 3.87Å; V135-Y137 PolarHBondContact O-N 2.97Å
136Y31.1Very low34.7Very low181 Ų181141.9 Ų141.971%0.7176%0.756SS**  trans-79.9101.9169.8-67.4-88.7000107.4R134 L138R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.78Å; R134-Y136 WeakPolarHBondContact O-CD2 3.39Å; R134-Y136 PolarHBondContact O-N 2.94Å; Y136-L138 PolarHBondContact O-N 2.73Å
137Y32.7Very low34.4Very low194 Ų194142.1 Ų142.176%0.76176%0.763SS**  trans-68.5104.4166.5-64.9-85.6000107.2V135 T139V135-Y137 HydrophobicContact CB-CE2 4.25Å; V135-Y137 HydrophobicContact CG1-CD2 4.23Å; V135-Y137 HydrophobicContact CG1-CE1 4.19Å; V135-Y137 HydrophobicContact CG1-CE2 3.87Å; V135-Y137 PolarHBondContact O-N 2.97Å; Y137-T139 PolarHBondContact O-N 3.05Å
138L34.6Very low34Very low169 Ų169139 Ų13989%0.88575%0.75SS**  trans-67.586.3164.9-81158.1000107.1Y136 R140Y136-L138 PolarHBondContact O-N 2.73Å; L138-R140 PolarHBondContact O-N 3.25Å
139T34.1Very low33.6Very low123 Ų123140.8 Ų140.876%0.75576%0.757SS**  trans-67.587.9164.648.80000106.8Y137Y137-T139 PolarHBondContact O-N 3.05Å
140R33.1Very low33Very low197 Ų197140.6 Ų140.674%0.74376%0.758SS**  trans-52.7132.8159.9-103-177-179.91771.2106L138 H142L138-R140 PolarHBondContact O-N 3.25Å; R140-H142 PolarHBondContact O-N 3.24Å
141P37.9Very low32.3Very low125 Ų125136.7 Ų136.781%0.81275%0.751SS**  trans-56.9109.4172.222.6-29.9000106.3S143P141-S143 PolarHBondContact O-N 3.04Å
142H36.8Very low32.2Very low180 Ų180137.5 Ų137.583%0.83375%0.746SS**  trans-58103.6164.6-70.5-80000104.1R140 A144R140-H142 PolarHBondContact O-N 3.24Å; H142-A144 PolarHBondContact O-N 2.75Å
143S34.6Very low31.8Very low108 Ų108141.1 Ų141.176%0.75576%0.756SS**  trans-44.6118.8160.4-174.80000104.2P141 A145P141-S143 PolarHBondContact O-N 3.04Å; S143-A145 PolarHBondContact O-N 2.85Å
144A30.8Very low31.5Very low89 Ų89141.9 Ų141.974%0.73676%0.756SS**  trans-63.278.9173.400000105.8H142 T146H142-A144 PolarHBondContact O-N 2.75Å; A144-T146 PolarHBondContact O-N 2.76Å
145A30.5Very low31.4Very low73 Ų73144 Ų14460%0.60376%0.764SS**  trans-62.992160.900000102.7S143 F147S143-A145 PolarHBondContact O-N 2.85Å; A145-F147 VanDerWaalsContact C-N 3.32Å; A145-F147 PolarHBondContact O-N 3.09Å
146T29.8Very low31.3Very low135 Ų135144 Ų14483%0.82877%0.773SS**  trans-39.3106.3159.91.90000105.4A144 G148A144-T146 PolarHBondContact O-N 2.76Å; T146-G148 PolarHBondContact O-N 2.76Å
147F30.6Very low31.5Very low209 Ų209141.2 Ų141.292%0.91778%0.777SS**  trans-64.374.8158.1-89.7-90.9000105.6A145 R149A145-F147 VanDerWaalsContact C-N 3.32Å; A145-F147 PolarHBondContact O-N 3.09Å; F147-R149 PolarHBondContact O-N 2.77Å
148G26.4Very low31.4Very low57 Ų57140.8 Ų140.859%0.58878%0.781SS**  trans-67120.5163.500000105.6T146T146-G148 PolarHBondContact O-N 2.76Å
149R28.4Very low31.2Very low234 Ų234141.9 Ų141.988%0.88378%0.782SS**  trans7392.6168.5-52.2178.7177.3-161.7-2.6113F147 A151F147-R149 PolarHBondContact O-N 2.77Å; R149-A151 PolarHBondContact O-N 3.01Å
150S31.5Very low31.1Very low119 Ų119144 Ų14483%0.83279%0.788SS**  trans-47.396.5133.918.90000107.4S152S150-S152 PolarHBondContact O-N 2.83Å
151A28.6Very low31.1Very low87 Ų87142.5 Ų142.572%0.71979%0.789SS**  trans-6290.6154.200000104.6R149 L153R149-A151 PolarHBondContact O-N 3.01Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 2.76Å
152S29.6Very low30.7Very low85 Ų85143.3 Ų143.359%0.59479%0.787SS**  trans-53.6109.9154.857.10000104.3S150 Q154S150-S152 PolarHBondContact O-N 2.83Å; S152-Q154 PolarHBondContact O-N 2.92Å
153L30.4Very low30.5Very low172 Ų172142.2 Ų142.290%0.90179%0.786SS**  trans-54.987.8158.2-87.4146.5000105.3A151 R155A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 2.76Å; L153-R155 PolarHBondContact O-N 2.71Å
154Q27.8Very low30.3Very low173 Ų173146.3 Ų146.381%0.80879%0.79SS**  trans-63.992.3166.9-89.2177.9-24.300104.4S152 A156S152-Q154 PolarHBondContact O-N 2.92Å; Q154-A156 PolarHBondContact O-N 3.11Å
155R28.6Very low30.4Very low231 Ų231146.7 Ų146.787%0.87279%0.787SS**  trans-52.4120.4157.3-176.5177.5-92.9157.5-9.6105.1L153 P157L153-R155 PolarHBondContact O-N 2.71Å; R155-P157 VanDerWaalsContact O-N 3.13Å
156A30.2Very low30.2Very low84 Ų84153.4 Ų153.469%0.69480%0.799SS**  trans-46.4120.9-179.700000109Q154 Q158Q154-A156 PolarHBondContact O-N 3.11Å; A156-Q158 PolarHBondContact O-N 2.76Å
157P34.1Very low30.3Very low122 Ų122152.9 Ų152.979%0.79280%0.795SS**  trans-65110.1176.722.2-26.7000107.6R155 E159R155-P157 VanDerWaalsContact O-N 3.13Å; P157-E159 PolarHBondContact O-N 2.77Å
158Q30.6Very low30.1Very low184 Ų184151 Ų15186%0.8680%0.795SS**  trans-52131.7163.8-98.8174.2-37.700108.3A156 L160A156-Q158 PolarHBondContact O-N 2.76Å; Q158-L160 PolarHBondContact O-N 2.98Å
159E31.9Very low30.4Very low192 Ų192154.6 Ų154.690%0.89781%0.805SS**  trans-47.494.2175.4-63.1174.7148.600111.1P157P157-E159 PolarHBondContact O-N 2.77Å
160L32Very low30.5Very low167 Ų167148.7 Ų148.787%0.87480%0.8SS**  trans-11199.3158.9-99.3154.1000106.4Q158Q158-L160 PolarHBondContact O-N 2.98Å
161Q31.4Very low30.4Very low166 Ų166148 Ų14878%0.77679%0.794SS**  trans-48.2147.5170.5-65.9179.5-13.200111.3
162N30.3Very low30.6Very low143 Ų143150.2 Ų150.277%0.76580%0.802SS**  trans65.3101.3162.4-69.7-32.9000116.6
163I32.1Very low30.6Very low157 Ų157154 Ų15481%0.80581%0.814SS**  -164.2115.4113-83.1137.5000108S165I163-S165 PolarHBondContact O-N 2.86Å
164K30.8Very low30.7Very low193 Ų193151.1 Ų151.184%0.83981%0.808SS**  trans-61117.8161.6-102.9169.8171.8171.40108.7
165S32.5Very low30.7Very low98 Ų98149.6 Ų149.669%0.68581%0.811SS**  trans-156.2108.8148.444.70000110.5I163I163-S165 PolarHBondContact O-N 2.86Å
166Y26.7Very low30.7Very low214 Ų214150 Ų15084%0.83981%0.813SS**  trans-69.6121.9171.2-77.4-102.1000109.2
167T31.7Very low30.7Very low123 Ų123157.2 Ų157.276%0.75582%0.822SS**  trans-131.8109157.140.70000109.5V169T167-V169 PolarHBondContact O-N 3.5Å
168N27.5Very low30.5Very low170 Ų170159.6 Ų159.691%0.90983%0.827SS**  trans-59.6117.9166.8-84.9-36.9000108.8
169V31.5Very low30.6Very low133 Ų133157 Ų15781%0.80682%0.824SS**  trans-118.4114.6163.6-167.50000108.2T167T167-V169 PolarHBondContact O-N 3.5Å
170S30.5Very low30.4Very low110 Ų110153.1 Ų153.177%0.76982%0.818SS**  trans-62.9149.9-174.431.50000113.9
171S29.7Very low30.2Very low103 Ų103152.2 Ų152.272%0.7281%0.813SS**  trans-58.1133.2-179.1-47.60000113.5L173S171-L173 PolarHBondContact O-N 3.24Å; S171-L173 VanDerWaalsContact O-N 3.13Å
172P33.7Very low30.2Very low135 Ų135151.2 Ų151.288%0.87781%0.812SS**  trans-7710017228.8-30.5000110.7
173L29.4Very low30.1Very low164 Ų164151.3 Ų151.386%0.85981%0.812SS**  trans-74.8126.8156.4-85.990.4000109.4S171S171-L173 PolarHBondContact O-N 3.24Å; S171-L173 VanDerWaalsContact O-N 3.13Å
174S31.8Very low30Very low111 Ų111149.8 Ų149.878%0.77681%0.814SS**  trans150.6114132.2-171.40000111.6R176S174-R176 PolarHBondContact O-N 2.9Å
175T27.9Very low29.9Very low141 Ų141149.9 Ų149.987%0.86582%0.815SS**  trans-67.196.1177.7330000111.6R177T175-R177 PolarHBondContact O-N 3.01Å
176R29.5Very low29.7Very low240 Ų240149.7 Ų149.791%0.90681%0.814SS**  trans-84.5106.5174.1-160.1172.8-178.1179.9-0.1110.5S174 L178S174-R176 PolarHBondContact O-N 2.9Å; R176-L178 PolarHBondContact O-N 3.41Å
177R29.7Very low29.8Very low235 Ų235148.3 Ų148.389%0.88781%0.812SS**PPolyproline II helixtrans-48.5125.8173.8-80.1173.4148.7146.7-6.5112.4T175T175-R177 PolarHBondContact O-N 3.01Å
178L30.5Very low29.7Very low173 Ų173150 Ų15091%0.90681%0.811SS**PPolyproline II helixtrans-68125.9172.5-65.7165.8000109.7R176R176-L178 PolarHBondContact O-N 3.41Å
179T31.1Very low29.9Very low130 Ų130147.5 Ų147.580%0.79880%0.798SS**PPolyproline II helixtrans-95.9131175.839.70000109.3I181T179-I181 PolarHBondContact O-N 3.38Å
180S28.7Very low29.6Very low109 Ų109146.5 Ų146.576%0.76280%0.797SS**PPolyproline II helixtrans-69.2121.5178.552.90000110.5D182S180-D182 PolarHBondContact O-N 3.15Å
181I27.9Very low29.5Very low149 Ų149149.6 Ų149.676%0.76480%0.797SS**  trans-84.2107.4174.6-63.7168.3000107.5T179 L183T179-I181 PolarHBondContact O-N 3.38Å; I181-L183 PolarHBondContact O-N 2.81Å
182D30.2Very low29.4Very low144 Ų144149.8 Ų149.877%0.7780%0.798SS**  trans-71107.7169.6-79.7-33.9000109.5S180 C184S180-D182 PolarHBondContact O-N 3.15Å; D182-C184 PolarHBondContact O-N 2.91Å
183L28.9Very low29Very low146 Ų146149.2 Ų149.276%0.76479%0.792SS**  trans-72.192.8173.6-78155.9000109.6I181 F185I181-L183 PolarHBondContact O-N 2.81Å; L183-F185 PolarHBondContact O-N 2.8Å
184C29.9Very low28.9Very low124 Ų124149.6 Ų149.684%0.83879%0.794SS**  trans-68.9106.7168-79.30000110.2D182 S186D182-C184 PolarHBondContact O-N 2.91Å; C184-S186 PolarHBondContact O-N 2.82Å; C184-S186 VanDerWaalsContact O-N 3.16Å
185F29.3Very low28.9Very low196 Ų196152.5 Ų152.586%0.8680%0.8SS**  trans-66.7107.9167.9-70.5-84.1000109.6L183 K187L183-F185 PolarHBondContact O-N 2.8Å; F185-K187 PolarHBondContact O-N 2.89Å
186S28Very low29Very low94 Ų94151.3 Ų151.366%0.65780%0.795SS**  trans-66.4117.4171.165.90000109.2C184 E188C184-S186 PolarHBondContact O-N 2.82Å; C184-S186 VanDerWaalsContact O-N 3.16Å; S186-E188 PolarHBondContact O-N 2.88Å
187K27.9Very low28.8Very low185 Ų185143.6 Ų143.680%0.80479%0.79SS**  trans-82.966.6179.1-158.6175.4-173.4176.50108.7F185 N189F185-K187 PolarHBondContact O-N 2.89Å; K187-N189 VanDerWaalsContact C-N 3.29Å; K187-N189 PolarHBondContact O-N 3.22Å
188E30.8Very low28.8Very low159 Ų159138.9 Ų138.974%0.74379%0.787SS**  trans-78.483.1174.9-73.4-179.4-167.600109.9S186 S190S186-E188 PolarHBondContact O-N 2.88Å; E188-S190 VanDerWaalsContact C-N 3.34Å; E188-S190 PolarHBondContact O-N 3.38Å
189N30.2Very low28.6Very low117 Ų117136.7 Ų136.763%0.62678%0.782SS**  trans-6691.1166-983.4000109.3K187 F191K187-N189 VanDerWaalsContact C-N 3.29Å; K187-N189 PolarHBondContact O-N 3.22Å; N189-F191 VanDerWaalsContact C-N 3.3Å; N189-F191 HydrophobicContact CB-CD2 4.04Å; N189-F191 HydrophobicContact CB-CE2 4.26Å; N189-F191 PolarHBondContact O-N 3.33Å
190S26.3Very low28.4Very low112 Ų112135.8 Ų135.878%0.78378%0.781SS**  trans-77.679166.2-67.60000109.9E188 S192E188-S190 VanDerWaalsContact C-N 3.34Å; E188-S190 PolarHBondContact O-N 3.38Å; S190-S192 PolarHBondContact O-N 2.78Å
191F28Very low28.3Very low174 Ų174136.2 Ų136.276%0.76378%0.784SS**  trans-84.192.5164.7-81.7-76.9000108.9N189 T193N189-F191 VanDerWaalsContact C-N 3.3Å; N189-F191 HydrophobicContact CB-CD2 4.04Å; N189-F191 HydrophobicContact CB-CE2 4.26Å; N189-F191 PolarHBondContact O-N 3.33Å; F191-T193 PolarHBondContact O-N 2.62Å
192S27Very low28.3Very low107 Ų107134.8 Ų134.875%0.74879%0.787SS**  trans-71.192.9165.960.80000109.8S190S190-S192 PolarHBondContact O-N 2.78Å
193T25.3Very low28.3Very low124 Ų124136 Ų13676%0.76179%0.792SS**  trans17.6101.8135.144.40000117.9F191F191-T193 PolarHBondContact O-N 2.62Å
194L29Very low28.4Very low172 Ų172138 Ų13890%0.90180%0.795SS**  trans-148.272.9148.4-76.7179.2000109.1
195L31.4Very low28.3Very low171 Ų171143 Ų14390%0.89580%0.796SS**  trans-104125.2160.8-85.2167.1000108.7G197L195-G197 PolarHBondContact O-N 2.78Å
196P30Very low28.3Very low116 Ų116138.2 Ų138.275%0.75379%0.787SS**  trans-65.4127.4179.1-16.529.2000110.7T198P196-T198 PolarHBondContact O-N 2.66Å
197G24.6Very low28.3Very low78 Ų78141.5 Ų141.580%0.80480%0.797SS**  trans-62.5118.117000000110.8L195L195-G197 PolarHBondContact O-N 2.78Å
198T29.5Very low28.5Very low136 Ų136137.7 Ų137.783%0.83479%0.794SS**  trans-113.7118.215352.40000107.7P196P196-T198 PolarHBondContact O-N 2.66Å
199T27Very low28.6Very low128 Ų128137 Ų13779%0.78579%0.794SS**  trans-60.3151.7-177.843.90000113.3
200S25.9Very low28.8Very low111 Ų111137.7 Ų137.778%0.77680%0.798SS**  trans62.887.9147.265.20000118.5
201S28.3Very low29.4Very low118 Ų118137.7 Ų137.783%0.82580%0.797SS**  -146.4125123.859.30000109.5L203S201-L203 PolarHBondContact O-N 2.84Å
202S26.4Very low30Very low119 Ų119132.9 Ų132.983%0.83279%0.785SS**  trans-70.6105.2175.248.60000109.7
203L31.6Very low30.3Very low169 Ų169131.4 Ų131.489%0.88579%0.786SS**  trans-134.9117.2161.4-136.576.8000110.2S201S201-L203 PolarHBondContact O-N 2.84Å
204K30.2Very low30.9Very low189 Ų189134.2 Ų134.282%0.82279%0.788SS**  trans-68.2144.6179-76.2178.5174.5175.70111
205R28.8Very low31.2Very low227 Ų227133.7 Ų133.786%0.85778%0.784SS**  trans77.8118.2145.4-75175.9172.3175.1-3.9119.7
206S28.1Very low31.2Very low97 Ų97130.9 Ų130.968%0.67878%0.778SS**  trans60.983.1137.963.80000118.6
207N28.4Very low31.6Very low162 Ų162134.5 Ų134.587%0.86678%0.784SS**  trans-94.879.5142.7-74.9-16.5000107.8I209N207-I209 PolarHBondContact O-N 2.67Å
208S30.9Very low32.1Very low105 Ų105138.5 Ų138.573%0.73479%0.787SS**  trans-65.4106.8156.249.30000106.3D210S208-D210 PolarHBondContact O-N 2.71Å; S208-D210 VanDerWaalsContact O-N 3.11Å
209I34.7Very low32.3Very low146 Ų146140 Ų14075%0.74978%0.784SS**  trans-67.3109.3169.7-68.9165.1000105.7N207 C211N207-I209 PolarHBondContact O-N 2.67Å; I209-C211 PolarHBondContact O-N 3.12Å
210D33.5Very low32.8Very low130 Ų130142.3 Ų142.370%0.69579%0.786SS**  trans-63.998.1173.5-172.8-0.4000108.4S208 S212S208-D210 PolarHBondContact O-N 2.71Å; S208-D210 VanDerWaalsContact O-N 3.11Å; D210-S212 PolarHBondContact O-N 3.14Å; D210-S212 PolarHBondContact OD1-N 2.86Å
211C39.8Very low33.2Very low113 Ų113147.9 Ų147.976%0.76479%0.79SS**  trans-73.243.6171.8-65.30000111I209 G213I209-C211 PolarHBondContact O-N 3.12Å; C211-G213 PolarHBondContact O-N 3.32Å
212S40.3Very low33.5Very low73 Ų73147.3 Ų147.351%0.5179%0.786SS.*  trans-54.5114163.968.20000106.5D210 K214D210-S212 PolarHBondContact O-N 3.14Å; D210-S212 PolarHBondContact OD1-N 2.86Å; S212-K214 PolarHBondContact O-N 3.03Å
213G33.2Very low33.8Very low76 Ų76147.2 Ų147.278%0.78479%0.785SS**  trans-68.548.9-164.600000115.1C211 I215C211-G213 PolarHBondContact O-N 3.32Å; G213-I215 VanDerWaalsContact C-N 3.28Å; G213-I215 PolarHBondContact O-N 2.96Å; G213-I215 VanDerWaalsContact O-N 3.09Å
214K36.6Very low33.9Very low182 Ų182144.4 Ų144.479%0.79178%0.775SS**  trans-81.184.1166.7-66.1-167.3179.5-176.20107.8S212 C216S212-K214 PolarHBondContact O-N 3.03Å; K214-C216 PolarHBondContact O-N 2.89Å
215I36Very low34.1Very low161 Ų161141.6 Ų141.683%0.82678%0.776SS**  trans-52.2110.9157.2-68.1165.1000105.6G213 Q217G213-I215 VanDerWaalsContact C-N 3.28Å; G213-I215 PolarHBondContact O-N 2.96Å; G213-I215 VanDerWaalsContact O-N 3.09Å; I215-Q217 PolarHBondContact O-N 3.04Å
216C32.3Very low34.4Very low113 Ų113135.2 Ų135.276%0.76477%0.766SS**PPolyproline II helixtrans-58.3116.7171.8-64.40000107.1K214 L218K214-C216 PolarHBondContact O-N 2.89Å; C216-L218 PolarHBondContact O-N 3Å
217Q37.3Very low34.6Very low191 Ų191139 Ų13989%0.89378%0.778SS**PPolyproline II helixtrans-51.5118.5169.3-118.6168.2-10.300107.2I215 H219I215-Q217 PolarHBondContact O-N 3.04Å; Q217-H219 PolarHBondContact O-N 2.78Å; Q217-H219 VanDerWaalsContact O-N 3.15Å
218L36.5Very low34.6Very low163 Ų163140.9 Ų140.985%0.85377%0.774SS**PPolyproline II helixtrans-55.3122.8174.2-79163.1000107C216 E220C216-L218 PolarHBondContact O-N 3Å; L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 2.81Å
219H33.1Very low34.6Very low166 Ų166144 Ų14477%0.76978%0.777SS**  trans-63.993.6177.8-170.886.1000107.9Q217 R221Q217-H219 PolarHBondContact O-N 2.78Å; Q217-H219 VanDerWaalsContact O-N 3.15Å; H219-R221 PolarHBondContact O-N 3.45Å
220E36.4Very low34.5Very low178 Ų178144.1 Ų144.183%0.83278%0.78SS**  trans-59.9106.4167.4-74.4-174.7170.800106.8L218 S222L218-E220 VanDerWaalsContact C-N 3.29Å; L218-E220 PolarHBondContact O-N 2.81Å; E220-S222 PolarHBondContact O-N 2.87Å
221R34.2Very low34.5Very low227 Ų227143.2 Ų143.286%0.85778%0.778SS**  trans-72.186.9173.6-66.7176.7115.4165.62.1106.7H219 S223H219-R221 PolarHBondContact O-N 3.45Å; R221-S223 PolarHBondContact O-N 3.43Å; R221-S223 VanDerWaalsContact O-N 3.13Å
222S35Very low34.2Very low107 Ų107142.8 Ų142.875%0.74878%0.777SS**  trans-57.6116.2169.247.80000108.7E220 T224E220-S222 PolarHBondContact O-N 2.87Å; S222-T224 VanDerWaalsContact C-N 3.31Å; S222-T224 PolarHBondContact O-N 3.45Å; S222-T224 VanDerWaalsContact O-N 3.14Å
223S33.1Very low33.9Very low117 Ų117148.1 Ų148.182%0.81879%0.791SS**  trans-82.274177.552.40000109.7R221R221-S223 PolarHBondContact O-N 3.43Å; R221-S223 VanDerWaalsContact O-N 3.13Å
224T33.5Very low33.9Very low110 Ų110153.7 Ų153.768%0.67579%0.793SS**  trans-155.8123.2155.433.90000109.3S222 S226S222-T224 VanDerWaalsContact C-N 3.31Å; S222-T224 PolarHBondContact O-N 3.45Å; S222-T224 VanDerWaalsContact O-N 3.14Å; T224-S226 PolarHBondContact O-N 3.44Å
225P34.4Very low33.7Very low130 Ų130153.9 Ų153.984%0.84480%0.799SS**  trans-69.398.1169.328.3-29.1000107.5L227P225-L227 PolarHBondContact O-N 2.81Å; P225-L227 VanDerWaalsContact O-N 3.16Å
226S34.9Very low33.6Very low92 Ų92153.2 Ų153.264%0.64380%0.797SS**  trans-68.2112.4165.148.10000107.3T224 Y228T224-S226 PolarHBondContact O-N 3.44Å; S226-Y228 PolarHBondContact O-N 3.16Å
227L32.2Very low33.6Very low176 Ų176154.4 Ų154.492%0.92180%0.796SS**  trans-59.691.4164.9-77.7159.3000107.1P225 E229P225-L227 PolarHBondContact O-N 2.81Å; P225-L227 VanDerWaalsContact O-N 3.16Å; L227-E229 VanDerWaalsContact C-N 3.34Å; L227-E229 PolarHBondContact O-N 3.47Å
228Y28.7Very low33.5Very low202 Ų202149.8 Ų149.879%0.79278%0.782SS**  trans-76.594173-130.2-97000107.3S226 N230S226-Y228 PolarHBondContact O-N 3.16Å; Y228-N230 PolarHBondContact O-N 3.27Å
229E31.5Very low33.4Very low171 Ų171148.8 Ų148.880%0.79978%0.777SS**  trans-61.7112.6168.6-165.4169.4-170.900108L227 V231L227-E229 VanDerWaalsContact C-N 3.34Å; L227-E229 PolarHBondContact O-N 3.47Å; E229-V231 VanDerWaalsContact C-N 3.32Å; E229-V231 PolarHBondContact O-N 3.18Å
230N32Very low33.4Very low149 Ų149148.1 Ų148.180%0.79778%0.779SS**  trans-64.585.5-178.3-81-43.2000110.8Y228 S232Y228-N230 PolarHBondContact O-N 3.27Å; N230-S232 VanDerWaalsContact C-N 3.28Å; N230-S232 PolarHBondContact O-N 3.41Å; N230-S232 VanDerWaalsContact O-N 3.14Å
231V34Very low33.2Very low110 Ų110145.9 Ų145.967%0.66778%0.781SS**  trans-86.377.8164.4-171.10000108.3E229 K233E229-V231 VanDerWaalsContact C-N 3.32Å; E229-V231 PolarHBondContact O-N 3.18Å; V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 HydrophobicContact CG1-CG 4.27Å; V231-K233 PolarHBondContact O-N 3.1Å
232S32Very low32.9Very low104 Ų104141.5 Ų141.573%0.72778%0.775SS**  trans-71.984.6171.665.70000110.2N230 K234N230-S232 VanDerWaalsContact C-N 3.28Å; N230-S232 PolarHBondContact O-N 3.41Å; N230-S232 VanDerWaalsContact O-N 3.14Å; S232-K234 PolarHBondContact O-N 3.46Å
233K34.5Very low32.6Very low185 Ų185145.9 Ų145.980%0.80478%0.775SS**  trans-83100.9162.8-78.5-177.8-179.4179.20108.6V231 M235V231-K233 VanDerWaalsContact C-N 3.33Å; V231-K233 HydrophobicContact CG1-CG 4.27Å; V231-K233 PolarHBondContact O-N 3.1Å; K233-M235 PolarHBondContact O-N 3.13Å; K233-M235 VanDerWaalsContact O-N 3.11Å
234K34Very low32.5Very low194 Ų194150 Ų15084%0.84377%0.772SS**  trans-48.2110.2168.2-67.8174.3177.4175.60109.4S232S232-K234 PolarHBondContact O-N 3.46Å
235M31.6Very low32.4Very low185 Ų185156.8 Ų156.891%0.91179%0.786SS**  trans-108.798.2166.5-150163.116100106.9K233 N237K233-M235 PolarHBondContact O-N 3.13Å; K233-M235 VanDerWaalsContact O-N 3.11Å; M235-N237 PolarHBondContact O-N 3.43Å
236L33.7Very low32.2Very low147 Ų147155.6 Ų155.677%0.7778%0.781SS**  trans-54122.4168.9-83.7101.2000108.3
237N33.5Very low32.1Very low139 Ų139156.2 Ų156.274%0.74379%0.791SS**  trans-12492.6157.5-140.8-20.9000108.3M235 N239M235-N237 PolarHBondContact O-N 3.43Å; N237-N239 PolarHBondContact O-N 2.77Å; N237-N239 PolarHBondContact OD1-ND2 3.12Å
238P35.4Very low32.1Very low94 Ų94153.8 Ų153.861%0.6178%0.783SS**  trans-87.485.7178.233.4-27.4000108.7
239N34.2Very low32.3Very low141 Ų141153.6 Ų153.675%0.75479%0.786SS**  trans-115.988.2167-82.3-46.7000110.2N237 C241N237-N239 PolarHBondContact O-N 2.77Å; N237-N239 PolarHBondContact OD1-ND2 3.12Å; N239-C241 PolarHBondContact O-N 2.99Å
240L32.7Very low32.4Very low153 Ų153150.1 Ų150.180%0.80179%0.787SS**  trans-57.488.1163.2-79.8141.8000110.3N242L240-N242 PolarHBondContact O-N 2.77Å
241C31.5Very low32.4Very low130 Ų130154.7 Ų154.788%0.87879%0.793SS**  trans-95.786.3160.1-147.40000109.1N239N239-C241 PolarHBondContact O-N 2.99Å
242N28.9Very low32.2Very low135 Ų135155.1 Ų155.172%0.72280%0.801SS**  trans-64.3147.5164.5-86.6-41000110.3L240L240-N242 PolarHBondContact O-N 2.77Å
243R28.6Very low32.1Very low200 Ų200155.1 Ų155.176%0.75580%0.801SS**  trans125.9102.7134.3-156.6173.3-165179.62.2116.2
244R30.3Very low31.9Very low202 Ų202154 Ų15476%0.76280%0.803SS**  trans60.5114.8136.6-61.5177175.9178.6-4.9118.4
245R32.9Very low31.8Very low254 Ų254149.8 Ų149.896%0.95879%0.793SS**  -164.4123.7109.7-98.8164.1-159.8-156.45.7110.3
246S29Very low31.9Very low105 Ų105147.6 Ų147.673%0.73479%0.785SS**  trans-70.3131.7172.3153.60000110.2
247A32.7Very low31.9Very low104 Ų104146.9 Ų146.986%0.8679%0.788SS**  trans-121.2113.3152.900000107.8
248V32.7Very low31.7Very low125 Ų125146.7 Ų146.776%0.75879%0.786SS**  trans-68.2130.6-173.6169.10000110.5A250V248-A250 PolarHBondContact O-N 3.32Å
249K33.4Very low31.4Very low198 Ų198150.9 Ų150.986%0.86180%0.797SS**  trans-64.4109167.9-85.6174.6173.4174.30109.5R251K249-R251 PolarHBondContact O-N 2.78Å
250A32.9Very low31.4Very low99 Ų99153.1 Ų153.182%0.81880%0.803SS**  trans-68.9115166.100000109.1V248 S252V248-A250 PolarHBondContact O-N 3.32Å; A250-S252 PolarHBondContact O-N 2.85Å
251R31.1Very low31.4Very low245 Ų245156 Ų15693%0.92581%0.809SS**  trans-77.1105.8169.4-71174.1161.2170.8-5.8108K249K249-R251 PolarHBondContact O-N 2.78Å
252S31.7Very low31.8Very low118 Ų118155 Ų15583%0.82580%0.804SS**  trans-97.8102.1155.847.40000108.1A250A250-S252 PolarHBondContact O-N 2.85Å
253S29.8Very low32.2Very low105 Ų105157 Ų15773%0.73481%0.809SS**  trans-67.6121.9159.859.50000108.3
254L29.9Very low32.7Very low160 Ų160152.6 Ų152.684%0.83881%0.806SS**  trans-120.986.3157.4-132.5154.8000105.9
255V32.2Very low33Very low106 Ų106148.7 Ų148.764%0.64281%0.807SS**  trans-75.2133.1169.7169.40000107.3
256D33.9Very low33.1Very low139 Ų139148 Ų14874%0.74380%0.804SS**  trans47.983.9154.2-57.1-24.6000118.9
257T32.4Very low33.3Very low133 Ų133154.2 Ų154.282%0.81681%0.811SS**  trans-96.196.5144.6-40.80000109
258L30.1Very low33.3Very low135 Ų135155.3 Ų155.371%0.70781%0.807SS**  trans-34.8134164-95.4131.5000114.2Q260L258-Q260 PolarHBondContact O-N 2.8Å
259Q29.4Very low33.4Very low181 Ų181155.3 Ų155.385%0.84681%0.813SS**  trans21.592.4141.5-59.3-170.326.700117.3
260Q33.5Very low33.3Very low188 Ų188150.6 Ų150.688%0.87981%0.805SS**  trans-121.2100.7141.3-74-163.1-3.800108.4L258 S262L258-Q260 PolarHBondContact O-N 2.8Å; Q260-S262 PolarHBondContact O-N 2.91Å
261K32.4Very low33.2Very low214 Ų214150 Ų15093%0.9380%0.8SS**  trans-60.294.8157-87.3176176.6168.90106.8Q263K261-Q263 PolarHBondContact O-N 3.06Å
262S40.6Very low33Very low109 Ų109150.2 Ų150.276%0.76280%0.802SS**  trans-68.2102.1161.4480000107.2Q260Q260-S262 PolarHBondContact O-N 2.91Å
263Q36.3Very low32.9Very low177 Ų177147.8 Ų147.883%0.82780%0.796SS**PPolyproline II helixtrans-57.2128.9163.4-156.9170.315.200106.6K261K261-Q263 PolarHBondContact O-N 3.06Å
264P39.5Very low33Very low107 Ų107146.8 Ų146.870%0.69579%0.789SS**PPolyproline II helixtrans-57.8143.5-179.420.4-30.2000109.7R266P264-R266 PolarHBondContact O-N 3.16Å; P264-R266 VanDerWaalsContact O-N 3.16Å
265P37.5Very low33.1Very low120 Ų120146 Ų14678%0.77979%0.785SS**PPolyproline II helixtrans-49.1124.3-176.7-22.227.3000110.6R267P265-R267 VanDerWaalsContact C-N 3.29Å; P265-R267 PolarHBondContact O-N 2.81Å
266R34.4Very low33.2Very low240 Ų240149.3 Ų149.391%0.90679%0.791SS**  trans-57.794.6170.3-163.1-179.8-157.7149.51.3106.8P264 V268P264-R266 PolarHBondContact O-N 3.16Å; P264-R266 VanDerWaalsContact O-N 3.16Å; R266-V268 PolarHBondContact O-N 2.96Å
267R33.8Very low33.1Very low235 Ų235148.1 Ų148.189%0.88779%0.789SS**  trans-61.2111.2171.2-85.1-172.3175.3176.8-1.1106.6P265 S269P265-R267 VanDerWaalsContact C-N 3.29Å; P265-R267 PolarHBondContact O-N 2.81Å; R267-S269 PolarHBondContact O-N 2.79Å
268V32.6Very low33.3Very low127 Ų127149.2 Ų149.277%0.7779%0.789SS**  trans-53.6125.6178.2-158.10000107.5R266 S270R266-V268 PolarHBondContact O-N 2.96Å; V268-S270 PolarHBondContact O-N 3.18Å
269S33.5Very low33.6Very low125 Ų125153.8 Ų153.887%0.87480%0.797SS**  trans-71.275.5172.8-42.90000108.1R267R267-S269 PolarHBondContact O-N 2.79Å
270S30.7Very low33.9Very low100 Ų100156.2 Ų156.270%0.69980%0.8SS**  trans-90119.217570.30000109.9V268V268-S270 PolarHBondContact O-N 3.18Å
271A30.9Very low33.8Very low86 Ų86150.4 Ų150.471%0.71179%0.791SS**  trans57.5100.5158.200000115.3G273A271-G273 PolarHBondContact O-N 2.85Å
272Y27.1Very low33.8Very low250 Ų250147.7 Ų147.798%0.9879%0.786SS**  25.781.978.8-107.6-90.9000111.9
273G31.1Very low33.4Very low67 Ų67154.2 Ų154.269%0.69179%0.794SS**  trans-148.573.9-177.300000111.5A271A271-G273 PolarHBondContact O-N 2.85Å
274S31.6Very low33.5Very low83 Ų83149.8 Ų149.858%0.5878%0.783SS**  trans61.2102.7168.482.30000118.3K276S274-K276 PolarHBondContact O-N 2.78Å
275D30.7Very low33.1Very low143 Ų143150.5 Ų150.577%0.76579%0.786SS**  trans-43.5104137.5-87.4-46.3000109.8
276K34.6Very low32.7Very low176 Ų176150.7 Ų150.777%0.76578%0.78SS**  trans-104.232.4162.6-69.2-171.4-179.2177.50111.4S274 L278S274-K276 PolarHBondContact O-N 2.78Å; K276-L278 PolarHBondContact O-N 3.29Å
277T33.3Very low32.5Very low115 Ų115144.2 Ų144.271%0.70677%0.767SS**  trans-70.1-9.9165.9400000112.5R279T277-R279 PolarHBondContact O-N 2.74Å; T277-R279 VanDerWaalsContact O-N 3.15Å
278L35.8Very low32.4Very low156 Ų156141.1 Ų141.182%0.81776%0.76SS**THydrogen-bonded Turntrans-85.366.9172.4-77.3160.4000112.6K276K276-L278 PolarHBondContact O-N 3.29Å
279R36.8Very low32.3Very low231 Ų231141.1 Ų141.187%0.87276%0.756SS**THydrogen-bonded Turntrans-145.5-9.4157.6-81.4-155-175.1-178.20.7117.2T277 G281T277-R279 PolarHBondContact O-N 2.74Å; T277-R279 VanDerWaalsContact O-N 3.15Å; R279-G281 PolarHBondContact O-N 3.33Å
280Y35.2Very low32.2Very low232 Ų232140.9 Ų140.991%0.9175%0.749SS**SBendtrans-101.477.3160.8-71.8-78.5000107.9N282Y280-N282 PolarHBondContact O-N 3.35Å
281G32Very low32.5Very low66 Ų66141.9 Ų141.968%0.6875%0.747SS**  trans-50.8137.4162.400000108.6R279 R283R279-G281 PolarHBondContact O-N 3.33Å; G281-R283 PolarHBondContact O-N 3.49Å
282N31.3Very low32.5Very low156 Ų156144 Ų14483%0.83475%0.746SS**  trans-30.8109.8171.9-66.4-31.9000110.2Y280 S284Y280-N282 PolarHBondContact O-N 3.35Å; N282-S284 PolarHBondContact O-N 3.35Å
283R32.5Very low32.9Very low246 Ų246138.6 Ų138.693%0.92873%0.734SS**  trans-62.491145-96.7-177.8172.3-179-2.8103.8G281 T285G281-R283 PolarHBondContact O-N 3.49Å; R283-T285 VanDerWaalsContact C-N 3.34Å; R283-T285 PolarHBondContact O-N 2.93Å
284S37.8Very low32.7Very low85 Ų85143 Ų14359%0.59474%0.736SS**  trans-46.9110.9158.244.90000105.1N282 N286N282-S284 PolarHBondContact O-N 3.35Å; S284-N286 PolarHBondContact O-N 3.4Å
285T32.2Very low32.8Very low122 Ų122142.8 Ų142.875%0.74874%0.735SS**  trans-52.9100.3155.540.60000104.5R283 T287R283-T285 VanDerWaalsContact C-N 3.34Å; R283-T285 PolarHBondContact O-N 2.93Å; T285-T287 PolarHBondContact O-N 3.41Å
286N28.2Very low32.8Very low124 Ų124143 Ų14366%0.66374%0.736SS**  trans-65.177.2160.8-84.9-4.2000105.4S284 F288S284-N286 PolarHBondContact O-N 3.4Å; N286-F288 HydrophobicContact CB-CD2 4.34Å; N286-F288 HydrophobicContact CB-CE2 4.27Å; N286-F288 PolarHBondContact O-N 3.47Å
287T31Very low32.5Very low103 Ų103144.5 Ų144.563%0.63274%0.739SS**  trans-64.898.5151-38.80000102.6T285 N289T285-T287 PolarHBondContact O-N 3.41Å; T287-N289 PolarHBondContact O-N 3.4Å
288F31.2Very low32.3Very low171 Ų171143.3 Ų143.375%0.7574%0.735SS**  trans-58.597.9160.9-81.5-94000104.8N286 V290N286-F288 HydrophobicContact CB-CD2 4.34Å; N286-F288 HydrophobicContact CB-CE2 4.27Å; N286-F288 PolarHBondContact O-N 3.47Å; F288-V290 HydrophobicContact CB-CG2 4.45Å; F288-V290 PolarHBondContact O-N 3.33Å
289N30.2Very low31.9Very low127 Ų127144 Ų14468%0.67973%0.733SS**  trans-6294.4150.3-81-5.6000103.4T287 D291T287-N289 PolarHBondContact O-N 3.4Å; N289-D291 PolarHBondContact O-N 3.38Å
290V33.1Very low31.6Very low119 Ų119140 Ų14072%0.72173%0.728SS**  trans-65.995156.2179.10000102.5F288 N292F288-V290 HydrophobicContact CB-CG2 4.45Å; F288-V290 PolarHBondContact O-N 3.33Å; V290-N292 VanDerWaalsContact C-N 3.34Å; V290-N292 PolarHBondContact O-N 2.73Å
291D35.7Very low31.2Very low122 Ų122139.3 Ų139.365%0.65272%0.724SS**  trans-53.3110.8165.2-72.3-38.3000104.9N289 D293N289-D291 PolarHBondContact O-N 3.38Å; D291-D293 PolarHBondContact O-N 2.95Å
292N32.2Very low30.9Very low129 Ų129143.2 Ų143.269%0.6973%0.729SS**  trans-74.765.2180-163.241.6000106.6V290 Q294V290-N292 VanDerWaalsContact C-N 3.34Å; V290-N292 PolarHBondContact O-N 2.73Å; N292-Q294 PolarHBondContact O-N 2.96Å
293D33.7Very low30.9Very low137 Ų137142.6 Ų142.673%0.73372%0.724SS**  trans-72.971.9167.9-77.6-18.5000106.9D291 S295D291-D293 PolarHBondContact O-N 2.95Å; D293-S295 PolarHBondContact O-N 3.25Å
294Q27.6Very low30.7Very low159 Ų159140 Ų14074%0.74372%0.72SS**  trans-67.471.5151.9-76.8-168.4-14.500107.4N292N292-Q294 PolarHBondContact O-N 2.96Å
295S33.9Very low30.4Very low79 Ų79144.7 Ų144.755%0.55273%0.733SS**  trans-83.1109.5158.847.70000107.2D293 Y297D293-S295 PolarHBondContact O-N 3.25Å; S295-Y297 PolarHBondContact O-N 3.38Å
296D31.3Very low30.2Very low147 Ų147141.8 Ų141.879%0.78673%0.727SS**  trans-46.889.9173.5-67.4-47.9000112.2S298D296-S298 PolarHBondContact O-N 2.9Å
297Y27.5Very low30.3Very low209 Ų209142 Ų14282%0.8274%0.735SS**  trans-91.761.2163.6-93.9-85000109.8S295S295-Y297 PolarHBondContact O-N 3.38Å
298S29.3Very low30.4Very low90 Ų90143.4 Ų143.463%0.62974%0.744SS**  trans-103.682.8160.960.50000108.7D296D296-S298 PolarHBondContact O-N 2.9Å
299H27.1Very low30.2Very low169 Ų169144.3 Ų144.378%0.78275%0.75SS**  trans155.884.9153.8-90.1-40.7000110.9
300I30.1Very low30.2Very low149 Ų149147 Ų14776%0.76476%0.759SS**  trans-130.7104.7138.3-59.5-176.7000106.6
301R27.2Very low29.9Very low216 Ų216146.5 Ų146.582%0.81576%0.76SS**  trans-48.2141.9169-85.8171160.8173.9-5.7110.8I303R301-I303 PolarHBondContact O-N 3.38Å
302N27.1Very low29.5Very low149 Ų149149.4 Ų149.480%0.79777%0.77SS**  trans-17.495.7145.2-60.1-18.7000113.1
303I30.4Very low29.3Very low143 Ų143149.4 Ų149.473%0.73378%0.775SS**  trans-89.2106.6154.7-62.6177.4000104.9R301 E305R301-I303 PolarHBondContact O-N 3.38Å; I303-E305 PolarHBondContact O-N 2.86Å
304F29Very low29.2Very low190 Ų190148.7 Ų148.783%0.83378%0.777SS**  trans-53.5113.9159.8-89.6-105.8000108.6
305E30Very low29.4Very low185 Ų185146.6 Ų146.686%0.86478%0.775SS**  trans-142.8124.3152-115.1175.2-17500108.2I303I303-E305 PolarHBondContact O-N 2.86Å
306G28Very low29.1Very low61 Ų61145 Ų14563%0.62977%0.772SS**  trans-69.2174.9-170.400000114.3T308G306-T308 PolarHBondContact O-N 3.19Å
307P31.9Very low29.2Very low128 Ų128144.4 Ų144.483%0.83178%0.776SS**  trans-78.2106.9-165.730.5-33000111.5Q309P307-Q309 PolarHBondContact O-N 3.12Å
308T31.5Very low29.4Very low132 Ų132140.5 Ų140.581%0.8177%0.769SS**  trans-80.8101.5159.544.80000109.1G306 Q310G306-T308 PolarHBondContact O-N 3.19Å; T308-Q310 PolarHBondContact O-N 2.94Å; T308-Q310 VanDerWaalsContact O-N 3.08Å
309Q28Very low29.4Very low191 Ų191142.4 Ų142.489%0.89377%0.772SS**  trans-55104.4160.5-65.5174.1-100108.6P307P307-Q309 PolarHBondContact O-N 3.12Å
310Q29Very low29.8Very low184 Ų184143.1 Ų143.186%0.8677%0.774SS**  trans-116117.7159-89.7-172.8-300109.5T308T308-Q310 PolarHBondContact O-N 2.94Å; T308-Q310 VanDerWaalsContact O-N 3.08Å
311S28.2Very low29.9Very low107 Ų107143.2 Ų143.275%0.74877%0.774SS**  trans-36.4138.2174.346.90000115.7
312H26.5Very low30.2Very low183 Ų183137.5 Ų137.585%0.84777%0.767SS**  trans-33.8137.4162.9-61.5-81.4000115.7
313T28.9Very low30.4Very low130 Ų130138.3 Ų138.380%0.79877%0.771SS**  trans-138.3110.6136.4-0.90000107.6T315T313-T315 PolarHBondContact O-N 3.19Å; T313-T315 VanDerWaalsContact O-N 3.1Å
314P31.5Very low30.5Very low121 Ų121138.8 Ų138.879%0.78678%0.775SS**  trans-76.395.6175.729.5-28.9000108.3G316P314-G316 PolarHBondContact O-N 2.66Å
315T30.9Very low30.6Very low115 Ų115134.8 Ų134.871%0.70677%0.77SS**  trans-68.8114.6169.1-46.40000107.9T313T313-T315 PolarHBondContact O-N 3.19Å; T313-T315 VanDerWaalsContact O-N 3.1Å
316G28Very low30.7Very low47 Ų47130.2 Ų130.249%0.48576%0.764SS.*  trans-63.9168.8-173.200000114.5P314 N318P314-G316 PolarHBondContact O-N 2.66Å; G316-N318 PolarHBondContact O-N 2.86Å
317P33.4Very low30.7Very low134 Ų134138.3 Ų138.387%0.8778%0.776SS**THydrogen-bonded Turntrans-76.325.6-165.631.5-35.8000115.6
318N31.2Very low30.8Very low127 Ų127141.9 Ų141.968%0.67978%0.778SS**THydrogen-bonded Turntrans-110.88.6-172.2-78.3-15.5000115.9G316 F320G316-N318 PolarHBondContact O-N 2.86Å; N318-F320 PolarHBondContact O-N 3.44Å
319D30.6Very low30.8Very low129 Ų129143.3 Ų143.369%0.6978%0.78SS**  trans-8079.7171.1-70.8-15.6000109.6I321D319-I321 VanDerWaalsContact C-N 3.35Å; D319-I321 PolarHBondContact O-N 2.75Å
320F33.8Very low30.9Very low185 Ų185141.5 Ų141.581%0.81178%0.777SS**  trans-51104.4159.4-79.5-88.9000107.5N318 S322N318-F320 PolarHBondContact O-N 3.44Å; F320-S322 VanDerWaalsContact C-N 3.3Å; F320-S322 PolarHBondContact O-N 2.86Å
321I32.4Very low31Very low150 Ų150140 Ų14077%0.76977%0.77SS**  trans-57.7100.5170.7-60.3170.3000106.1D319 L323D319-I321 VanDerWaalsContact C-N 3.35Å; D319-I321 PolarHBondContact O-N 2.75Å; I321-L323 PolarHBondContact O-N 3.14Å
322S33.6Very low30.9Very low96 Ų96143.2 Ų143.267%0.67177%0.773SS**  trans-59.7104.5174.5-86.30000108F320 N324F320-S322 VanDerWaalsContact C-N 3.3Å; F320-S322 PolarHBondContact O-N 2.86Å; S322-N324 PolarHBondContact O-N 3.08Å
323L32.3Very low31.1Very low167 Ų167141.8 Ų141.887%0.87477%0.768SS**SBendtrans-71.344.5171.1-74.5164.9000111.3I321I321-L323 PolarHBondContact O-N 3.14Å
324N31.7Very low31.1Very low153 Ų153141.7 Ų141.782%0.81877%0.768SS**  trans-113.426168.8-83.9-15.8000111.1S322 A326S322-N324 PolarHBondContact O-N 3.08Å; N324-A326 PolarHBondContact O-N 3.46Å
325S30.9Very low31.1Very low105 Ų105139.9 Ų139.973%0.73476%0.763SS**  trans-75.183.3164.8-167.50000108.5R327S325-R327 VanDerWaalsContact C-N 3.26Å; S325-R327 PolarHBondContact O-N 3.2Å
326A31.8Very low31Very low90 Ų90143.3 Ų143.374%0.74477%0.768SS**  trans-55.697160.400000107N324 K328N324-A326 PolarHBondContact O-N 3.46Å; A326-K328 PolarHBondContact O-N 3.3Å
327R28.4Very low31.1Very low231 Ų231148.3 Ų148.387%0.87278%0.784SS**  trans-56.1103.3170.1-85.7-178-179.8164.80.1107.1S325 L329S325-R327 VanDerWaalsContact C-N 3.26Å; S325-R327 PolarHBondContact O-N 3.2Å; R327-L329 VanDerWaalsContact C-N 3.28Å; R327-L329 PolarHBondContact O-N 3.01Å
328K33.4Very low30.8Very low202 Ų202150 Ų15088%0.87878%0.78SS**  trans-5498.7156.7-85.5179.4172.7178.20106.4A326 N330A326-K328 PolarHBondContact O-N 3.3Å; K328-N330 PolarHBondContact O-N 3.41Å
329L32.1Very low30.6Very low162 Ų162151.8 Ų151.885%0.84878%0.784SS**  trans-65.3104.8163.7-93.2161.1000105.9R327 E331R327-L329 VanDerWaalsContact C-N 3.28Å; R327-L329 PolarHBondContact O-N 3.01Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 3.5Å
330N30.1Very low30.4Very low153 Ų153151.3 Ų151.382%0.81879%0.786SS**  trans-68.695.8170.6-155.514.2000106K328 Q332K328-N330 PolarHBondContact O-N 3.41Å; N330-Q332 VanDerWaalsContact C-N 3.31Å; N330-Q332 PolarHBondContact O-N 2.76Å
331E30.9Very low30.1Very low153 Ų153149.8 Ų149.872%0.71579%0.786SS**  trans-63.697.2170.4-80.7-172.6159.600107.8L329 M333L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 3.5Å; E331-M333 PolarHBondContact O-N 2.76Å
332Q27.3Very low30.1Very low175 Ų175150.4 Ų150.482%0.81879%0.789SS**  trans-73.577.4169.9-153.8176.730.500107.6N330 T334N330-Q332 VanDerWaalsContact C-N 3.31Å; N330-Q332 PolarHBondContact O-N 2.76Å; Q332-T334 PolarHBondContact O-N 3.11Å; Q332-T334 PolarHBondContact O-OG1 2.82Å
333M30Very low29.7Very low153 Ų153151.5 Ų151.575%0.75479%0.791SS**  trans-63.297.7171.3-83.5-121.2-176.400109E331 A335E331-M333 PolarHBondContact O-N 2.76Å; M333-A335 PolarHBondContact O-N 2.87Å
334T28.8Very low29.6Very low128 Ų128151.1 Ų151.179%0.78579%0.785SS**  trans-80.967169.1-25.90000108.9Q332 K336Q332-T334 PolarHBondContact O-N 3.11Å; Q332-T334 PolarHBondContact O-OG1 2.82Å; T334-K336 PolarHBondContact O-N 2.8Å
335A31.4Very low29.5Very low83 Ų83150.2 Ų150.269%0.68678%0.78SS**  trans-90.299.3172.900000109.4M333 N337M333-A335 PolarHBondContact O-N 2.87Å; A335-N337 PolarHBondContact O-N 2.76Å
336K28.7Very low29.3Very low187 Ų187155.2 Ų155.281%0.81379%0.788SS**  trans-60.3117.7159.2-70.9174.7175.81770108.2T334T334-K336 PolarHBondContact O-N 2.8Å
337N30.2Very low29.3Very low152 Ų152157.7 Ų157.781%0.81379%0.794SS**  trans172.194.7150.9-83.2-22.4000106.7A335A335-N337 PolarHBondContact O-N 2.76Å
338Q27.7Very low29.4Very low170 Ų170151.3 Ų151.379%0.79479%0.785SS**  50.7115.497.6-75.3-160.45.100115.2
339H25.4Very low29.1Very low164 Ų164148.7 Ų148.776%0.75978%0.781SS**  trans89.1107.8151.8-74-69.2000121.5
340T28.4Very low29.2Very low119 Ų119147.1 Ų147.173%0.7378%0.778SS**  trans99.5117.9132.6-420000118.1I342T340-I342 PolarHBondContact O-N 3.04Å
341L25.9Very low29.2Very low153 Ų153146 Ų14680%0.80177%0.772SS**  trans-56.7120.4169.9-7799.3000111.2
342I32.2Very low29.4Very low163 Ų163145.2 Ų145.284%0.83677%0.772SS**  trans-128.499.4151.2-60.7179.5000106.6T340T340-I342 PolarHBondContact O-N 3.04Å
343V26.8Very low29.7Very low118 Ų118144.3 Ų144.372%0.71577%0.767SS**  trans-73.7117.4163.9174.50000106.6
344Q29Very low30Very low159 Ų159145.5 Ų145.574%0.74377%0.768SS**  trans173.8139134.3-101.3174.7-4.600113.6
345N29.3Very low30.2Very low134 Ų134148.1 Ų148.172%0.71777%0.771SS**  trans80.3105.8146.9-62.6-14.5000119.8
346K27.1Very low30.3Very low210 Ų210151.5 Ų151.591%0.91378%0.777SS**  trans-41.5129.9152-64.6175173.4-179.40111.6
347T31.5Very low30.7Very low142 Ų142148.4 Ų148.487%0.87178%0.776SS**  trans-144.9139.7144.819.30000109
348S31.9Very low31.1Very low98 Ų98151 Ų15169%0.68578%0.78SS**  trans-69.8153.9-167.244.90000115.6
349D26.1Very low31.4Very low147 Ų147147.9 Ų147.979%0.78678%0.777SS**  trans31.3108.8142.2-63.3-34000118.3
350T33.4Very low31.8Very low129 Ų129145 Ų14579%0.79178%0.776SS**  trans-138.1106138.1-33.30000108.5I352T350-I352 PolarHBondContact O-N 2.73Å
351D31.8Very low32Very low130 Ų130145.5 Ų145.570%0.69578%0.778SS**  trans-47.892.6165.1-87.3-41.6000110.9H353D351-H353 PolarHBondContact O-N 2.9Å; D351-H353 IonicContact OD1-CD2 3.5Å; D351-H353 PolarHBondContact OD1-CD2 2.77Å; D351-H353 IonicContact OD1-NE2 2.71Å
352I34.5Very low32.4Very low136 Ų136145.1 Ų145.170%0.69778%0.776SS**  trans-90.965.8160.5-53.5177.5000106.6T350 K354T350-I352 PolarHBondContact O-N 2.73Å; I352-K354 HydrophobicContact CG2-CD 4.39Å; I352-K354 HydrophobicContact CG2-CG 3.93Å; I352-K354 PolarHBondContact O-N 2.92Å
353H33.5Very low32.5Very low156 Ų156142.2 Ų142.272%0.72277%0.77SS**  trans-65.580.9157.6-84-67.3000107.8D351 Q355D351-H353 PolarHBondContact O-N 2.9Å; D351-H353 IonicContact OD1-CD2 3.5Å; D351-H353 PolarHBondContact OD1-CD2 2.77Å; D351-H353 IonicContact OD1-NE2 2.71Å; H353-Q355 VanDerWaalsContact C-N 3.26Å; H353-Q355 PolarHBondContact O-N 2.91Å
354K36.7Very low32.7Very low177 Ų177142.4 Ų142.477%0.7777%0.771SS**  trans-60.997.1160.3-86.9174.2-176.8179.50106.7I352 L356I352-K354 HydrophobicContact CG2-CD 4.39Å; I352-K354 HydrophobicContact CG2-CG 3.93Å; I352-K354 PolarHBondContact O-N 2.92Å; K354-L356 PolarHBondContact O-N 3.15Å
355Q32.6Very low33.1Very low184 Ų184140.2 Ų140.286%0.8677%0.769SS**  trans-47.9103.5167.6-72.9179.37.600108.2H353 P357H353-Q355 VanDerWaalsContact C-N 3.26Å; H353-Q355 PolarHBondContact O-N 2.91Å; Q355-P357 WeakPolarHBondContact O-CD 3.47Å
356L33.7Very low33.5Very low154 Ų154139.3 Ų139.381%0.80677%0.771SS**  trans-63125.5160.7-103.185.8000106.4K354 K358K354-L356 PolarHBondContact O-N 3.15Å; L356-K358 PolarHBondContact O-N 2.83Å
357P36.4Very low33.8Very low121 Ų121135.1 Ų135.179%0.78676%0.762SS**  trans-59114.3179.521.6-30.7000108.7Q355 S359Q355-P357 WeakPolarHBondContact O-CD 3.47Å; P357-S359 PolarHBondContact O-N 3.06Å
358K38.5Very low34.1Very low206 Ų206132.6 Ų132.690%0.89675%0.75SS**  trans-52.7115.6171-68.7177.9179.61780107.1L356 S360L356-K358 PolarHBondContact O-N 2.83Å; K358-S360 PolarHBondContact O-N 3.44Å
359S34.2Very low34.5Very low106 Ų106136.5 Ų136.574%0.74176%0.755SS**  trans-53.8122.2173.349.80000108.7P357 V361P357-S359 PolarHBondContact O-N 3.06Å; S359-V361 PolarHBondContact O-N 3.24Å
360S34Very low35.2Very low104 Ų104137.3 Ų137.373%0.72775%0.754SS**  trans-50.2105.1174.9170.10000109.8K358 L362K358-S360 PolarHBondContact O-N 3.44Å; S360-L362 PolarHBondContact O-N 2.88Å
361V33.2Very low35.4Very low128 Ų128138.8 Ų138.878%0.77676%0.757SS**  trans-75.3112.7160.6179.20000104.8S359 S363S359-V361 PolarHBondContact O-N 3.24Å; V361-S363 VanDerWaalsContact C-N 3.31Å; V361-S363 PolarHBondContact O-N 3.1Å
362L33.3Very low35.5Very low145 Ų145138.3 Ų138.376%0.75975%0.754SS**  trans-62.196.3171.4-121.993.9000107.5S360 V364S360-L362 PolarHBondContact O-N 2.88Å; L362-V364 PolarHBondContact O-N 3.37Å; L362-V364 VanDerWaalsContact O-N 3.14Å
363S35.3Very low35.7Very low102 Ų102140.3 Ų140.371%0.71376%0.757SS**  trans-74100.1167.757.60000107.4V361 T365V361-S363 VanDerWaalsContact C-N 3.31Å; V361-S363 PolarHBondContact O-N 3.1Å; S363-T365 PolarHBondContact O-N 3.14Å; S363-T365 VanDerWaalsContact O-N 3.14Å
364V31.7Very low36Very low123 Ų123142.4 Ų142.475%0.74577%0.765SS**  trans-74.899.8169.7-179.20000106.8L362 P366L362-V364 PolarHBondContact O-N 3.37Å; L362-V364 VanDerWaalsContact O-N 3.14Å; V364-P366 WeakPolarHBondContact O-CD 3.28Å
365T35.7Very low36.1Very low113 Ų113142.8 Ų142.869%0.69377%0.767SS**PPolyproline II helixtrans-71.2121.4170.8-320000107.7S363 V367S363-T365 PolarHBondContact O-N 3.14Å; S363-T365 VanDerWaalsContact O-N 3.14Å; T365-V367 PolarHBondContact O-N 3.07Å
366P37.6Very low36.4Very low115 Ų115143.8 Ų143.875%0.74777%0.768SS**PPolyproline II helixtrans-62.7121.6175.723.9-30.7000109V364 S368V364-P366 WeakPolarHBondContact O-CD 3.28Å; P366-S368 PolarHBondContact O-N 2.79Å; P366-S368 VanDerWaalsContact O-N 3.17Å
367V34.6Very low36.8Very low121 Ų121143.7 Ų143.773%0.73377%0.768SS**PPolyproline II helixtrans-60.9116.7177.3178.20000108.1T365 F369T365-V367 PolarHBondContact O-N 3.07Å; V367-F369 PolarHBondContact O-N 2.89Å
368S36.6Very low37.1Very low89 Ų89143.7 Ų143.762%0.62277%0.768SS**PPolyproline II helixtrans-68.1123.517768.20000109.7P366 Q370P366-S368 PolarHBondContact O-N 2.79Å; P366-S368 VanDerWaalsContact O-N 3.17Å; S368-Q370 PolarHBondContact O-N 2.75Å
369F41Very low37.2Very low180 Ų180139.4 Ų139.479%0.78976%0.764SS**  trans-77.764.2177.7-65.3-86.7000110.8V367 I372V367-F369 PolarHBondContact O-N 2.89Å; F369-I372 HydrophobicContact CB-CD1 4.49Å
370Q41.2Very low37.5Very low165 Ų165139.2 Ų139.277%0.77176%0.763SS**  trans-95.12.3-176.6-135.11659.800114.6S368S368-Q370 PolarHBondContact O-N 2.75Å
371N37Very low38Very low159 Ų159140.3 Ų140.385%0.8577%0.768SS**  trans-129.237.1-175.6-81.3-32.8000114.9K373N371-K373 PolarHBondContact O-N 3.15Å; N371-K373 VanDerWaalsContact O-N 3.1Å
372I34.3Very low38.4Very low121 Ų121143.9 Ų143.962%0.62177%0.773SS**  trans-79.495.8167.6-54.9177.8000107.9F369 F374F369-I372 HydrophobicContact CB-CD1 4.49Å; I372-F374 PolarHBondContact O-N 3.2Å; I372-F374 VanDerWaalsContact O-N 3.16Å
373K38.1Very low38.6Very low177 Ų177148.7 Ų148.777%0.7778%0.781SS**  trans-60.1115.3167.9-82.3179.8176.4176.70108.6N371 F375N371-K373 PolarHBondContact O-N 3.15Å; N371-K373 VanDerWaalsContact O-N 3.1Å; K373-F375 WeakPolarHBondContact O-CD2 3.41Å; K373-F375 PolarHBondContact O-N 3.11Å
374F40.5Very low39.1Very low201 Ų201149.1 Ų149.188%0.88278%0.784SS**  trans-63.7103.3170.5-64.3-85.2000109.2I372 K376I372-F374 PolarHBondContact O-N 3.2Å; I372-F374 VanDerWaalsContact O-N 3.16Å; F374-K376 PolarHBondContact O-N 2.97Å
375F38.9Very low39.5Very low185 Ų185149.7 Ų149.781%0.81179%0.787SS**PPolyproline II helixtrans-69.4124.1166.6-72.9-85.9000108K373 N377K373-F375 WeakPolarHBondContact O-CD2 3.41Å; K373-F375 PolarHBondContact O-N 3.11Å; F375-N377 PolarHBondContact O-N 3.35Å
376K39.2Very low39.6Very low205 Ų205153.3 Ų153.389%0.89179%0.793SS**PPolyproline II helixtrans-57.4125.9171-78.8-179.5176.4178.50108.2F374F374-K376 PolarHBondContact O-N 2.97Å
377N41.2Very low39.8Very low151 Ų151153.3 Ų153.381%0.80779%0.794SS**PPolyproline II helixtrans-52.7135.3177.1-77.4-22.3000110.4F375 S379F375-N377 PolarHBondContact O-N 3.35Å; N377-S379 PolarHBondContact O-N 3.24Å
378P42.8Very low40.1Very low122 Ų122157.3 Ų157.379%0.79280%0.801SS**PPolyproline II helixtrans-61129.7174.524.9-31.5000109.1S380P378-S380 PolarHBondContact O-N 2.87Å
379S40.7Very low40.2Very low116 Ų116163.3 Ų163.381%0.81182%0.816SS**PPolyproline II helixtrans-57.6126.7173.732.90000109.6N377N377-S379 PolarHBondContact O-N 3.24Å
380S40.8Very low39.7Very low102 Ų102158 Ų15871%0.71381%0.812SS**PPolyproline II helixtrans-53.9133.2178.543.20000110.6P378 K382P378-S380 PolarHBondContact O-N 2.87Å; S380-K382 PolarHBondContact O-N 3.3Å; S380-K382 VanDerWaalsContact O-N 3.15Å
381P43.3Very low39.6Very low127 Ų127156.4 Ų156.483%0.82581%0.814SS**PPolyproline II helixtrans-57.1121.4-177.2-19.829.7000110.1R383P381-R383 PolarHBondContact O-N 3.3Å; P381-R383 VanDerWaalsContact O-N 3.13Å
382K43.3Very low39.5Very low202 Ų202154.6 Ų154.688%0.87881%0.811SS**PPolyproline II helixtrans-57.2121.5169.2-75.3-177.5176.8179.10107.2S380 S384S380-K382 PolarHBondContact O-N 3.3Å; S380-K382 VanDerWaalsContact O-N 3.15Å; K382-S384 PolarHBondContact O-N 3.1Å
383R37.6Very low39.5Very low247 Ų247157.1 Ų157.193%0.93282%0.824SS**  trans-48.1100.5173.2-113.9178.2175.9170.7-1.3108.1P381 V385P381-R383 PolarHBondContact O-N 3.3Å; P381-R383 VanDerWaalsContact O-N 3.13Å; R383-V385 PolarHBondContact O-N 3.02Å
384S44Very low39.1Very low110 Ų110155.6 Ų155.677%0.76983%0.825SS**PPolyproline II helixtrans-69.4118.4172.555.20000107.2K382 K386K382-S384 PolarHBondContact O-N 3.1Å; S384-K386 PolarHBondContact O-N 3.14Å
385V41.1Very low38.9Very low136 Ų136155.2 Ų155.282%0.82482%0.823SS**PPolyproline II helixtrans-52.6131.3171.7176.80000108.3R383R383-V385 PolarHBondContact O-N 3.02Å
386K38Very low38.5Very low188 Ų188151.9 Ų151.982%0.81782%0.822SS**PPolyproline II helixtrans-49.4131.9178.1-79.1179.9175.5178.60109.6S384 K388S384-K386 PolarHBondContact O-N 3.14Å; K386-K388 PolarHBondContact O-N 3.21Å
387P41.8Very low38.4Very low116 Ų116151.1 Ų151.175%0.75382%0.822SS**PPolyproline II helixtrans-58.8124.5177.8-16.227.6000109.2F389P387-F389 PolarHBondContact O-N 3.4Å
388K39.9Very low38.1Very low204 Ų204153.3 Ų153.389%0.88783%0.828SS**PPolyproline II helixtrans-61.4125.2161.8-78.9-178.6175-179.40106.7K386 G390K386-K388 PolarHBondContact O-N 3.21Å; K388-G390 VanDerWaalsContact C-N 3.28Å; K388-G390 PolarHBondContact O-N 2.94Å
389F39.1Very low37.7Very low215 Ų215155 Ų15594%0.94383%0.829SS**  trans-6093.3171-84.3-89.4000108.5P387P387-F389 PolarHBondContact O-N 3.4Å
390G31.6Very low37.4Very low68 Ų68159.2 Ų159.270%0.70183%0.832SS**  trans-73.6126.3167.500000108.6K388K388-G390 VanDerWaalsContact C-N 3.28Å; K388-G390 PolarHBondContact O-N 2.94Å
391T37.9Very low37.3Very low133 Ų133158.7 Ų158.782%0.81683%0.826SS**  trans-51142.8174.34.40000111.1L393T391-L393 PolarHBondContact O-N 2.92Å
392P35.6Very low36.8Very low120 Ų120162.6 Ų162.678%0.77983%0.831SS**  trans-70106.5-169.727.9-32.9000110.7N394P392-N394 PolarHBondContact O-N 3.3Å
393L33.9Very low36.5Very low174 Ų174161.3 Ų161.391%0.91183%0.825SS**  trans-82.6102.8168.5-152.580.7000108.6T391 K395T391-L393 PolarHBondContact O-N 2.92Å; L393-K395 PolarHBondContact O-N 2.95Å
394N30.9Very low36.2Very low146 Ų146158.2 Ų158.278%0.78182%0.822SS**  trans-53.8118.5162.5-91.9-48.4000110.2P392P392-N394 PolarHBondContact O-N 3.3Å
395K35.7Very low35.9Very low192 Ų192162.5 Ų162.584%0.83583%0.826SS**  158.6120.4128.9-85.7167.2-176.8-178.20111.2L393L393-K395 PolarHBondContact O-N 2.95Å
396S31.2Very low35.5Very low115 Ų115161.3 Ų161.380%0.80482%0.824SS**  trans12.9103.2146.858.20000118.5
397E36.9Very low35.2Very low189 Ų189161.6 Ų161.688%0.88383%0.828SS**  trans-142.9120.1148.4-114.3175.1-173.100109.5I399E397-I399 PolarHBondContact O-N 3.29Å
398Q34.7Very low34.9Very low198 Ų198162.6 Ų162.693%0.92583%0.826SS**  trans-71.3123.6-175.5-113.2172.25.700110.5K400Q398-K400 PolarHBondContact O-N 2.88Å
399I33.7Very low34.5Very low158 Ų158157.1 Ų157.181%0.8182%0.819SS**  trans-69.2116.1174.3-60.9164.2000109.3E397E397-I399 PolarHBondContact O-N 3.29Å
400K34.5Very low34.2Very low203 Ų203156.3 Ų156.388%0.88382%0.815SS**  trans-102.3113.9158.3-89.5-177.2178.9175.50108.9Q398 F402Q398-K400 PolarHBondContact O-N 2.88Å; K400-F402 PolarHBondContact O-N 3.42Å
401P37.9Very low34.3Very low92 Ų92159.8 Ų159.860%0.59782%0.822SS**  trans-71.7124172.326.2-29000110.4F403P401-F403 HydrophobicContact CG-CE2 4.28Å
402F34.3Very low34Very low208 Ų208158 Ų15891%0.91282%0.815SS**  trans-78.6115.4173.7-142.6-100.4000108.2K400K400-F402 PolarHBondContact O-N 3.42Å
403F35.9Very low34Very low175 Ų175161.4 Ų161.477%0.76882%0.823SS**  trans-88105.2174.9-73.6-86.3000109.1P401 K405P401-F403 HydrophobicContact CG-CE2 4.28Å; F403-K405 PolarHBondContact O-N 3.21Å
404E32Very low34Very low183 Ų183160 Ų16086%0.85582%0.816SS**  trans-74.7106.8171.9-163169.7-168.900109.2S406E404-S406 PolarHBondContact O-N 2.82Å
405K36.6Very low33.8Very low200 Ų200160.1 Ų160.187%0.8782%0.817SS**  trans-75.2111.3177.9-69.6175.7177.6177.40109F403F403-K405 PolarHBondContact O-N 3.21Å
406S33.8Very low33.6Very low110 Ų110156.6 Ų156.677%0.76981%0.812SS**  trans-91.1108.7163.128.30000109.1E404E404-S406 PolarHBondContact O-N 2.82Å
407E31.1Very low33.5Very low195 Ų195158.3 Ų158.391%0.91181%0.812SS**  trans-78.1113.8178-166.4170.3-150.100108.8
408I35.3Very low33.4Very low137 Ų137157.2 Ų157.270%0.70381%0.807SS**  trans-109.9110.8170.8-60.2171.3000106.9F410I408-F410 WeakPolarHBondContact O-CD2 3.24Å; I408-F410 PolarHBondContact O-N 2.93Å
409A32.8Very low33.1Very low89 Ų89154.9 Ų154.974%0.73680%0.801SS**  trans-64111.3-179.700000111.1V411A409-V411 PolarHBondContact O-N 3.37Å
410F32Very low33.1Very low198 Ų198153.4 Ų153.487%0.86880%0.799SS**  trans-84.4104.1166.8-77.6-90.1000108.7I408I408-F410 WeakPolarHBondContact O-CD2 3.24Å; I408-F410 PolarHBondContact O-N 2.93Å
411V33.5Very low32.8Very low140 Ų140150.6 Ų150.685%0.84879%0.794SS**PPolyproline II helixtrans-76.8122.6170.3179.20000108.8A409 M413A409-V411 PolarHBondContact O-N 3.37Å; V411-M413 PolarHBondContact O-N 3.47Å
412S32.4Very low32.5Very low95 Ų95155.5 Ų155.566%0.66481%0.806SS**PPolyproline II helixtrans-63.5120.6-178.9161.90000112.2
413M35.9Very low32.3Very low193 Ų193153.9 Ų153.995%0.95180%0.801SS**PPolyproline II helixtrans-92.6123.9165-118.5-177.7159.100109.5V411V411-M413 PolarHBondContact O-N 3.47Å
414N32.8Very low31.8Very low143 Ų143152.7 Ų152.777%0.76580%0.801SS**PPolyproline II helixtrans-63137.5-165.5-70.7-34000114.7
415N27.2Very low31.9Very low149 Ų149151.3 Ų151.380%0.79780%0.797SS**PPolyproline II helixtrans-56.4131.3159.1-79-37.8000110.5
416T30.9Very low31.5Very low119 Ų119146.5 Ų146.573%0.7380%0.795SS**  trans-133.295.1153.6-56.40000108.1Q418T416-Q418 HydrophobicContact CG2-CG 4.07Å; T416-Q418 PolarHBondContact O-N 3.29Å
417N29.9Very low31.5Very low150 Ų150146.3 Ų146.380%0.80279%0.794SS**  trans-68.3114164.1-79.7-33.5000108.3
418Q34.1Very low31.4Very low167 Ų167142.5 Ų142.578%0.7879%0.789SS**  trans-125.5102.5163.3-79.4-92.6-13.900106.7T416T416-Q418 HydrophobicContact CG2-CG 4.07Å; T416-Q418 PolarHBondContact O-N 3.29Å
419N28.5Very low31.1Very low149 Ų149139 Ų13980%0.79779%0.787SS**  trans-108.1106.7-177.9-164.116.7000105.9
420T34.7Very low31.1Very low126 Ų126142.3 Ų142.377%0.77379%0.792SS**  trans-150103164.829.60000110.5
421N27.7Very low31.1Very low145 Ų145141.1 Ų141.178%0.77580%0.795SS**  trans-59.7136.7153.8-82.6-47.8000109.7
422K32.1Very low31.1Very low195 Ų195138.8 Ų138.885%0.84879%0.785SS**  167.1135.1123.8-91.3167.8-175.7-177.10113.3
423H28.5Very low31.1Very low174 Ų174144.3 Ų144.381%0.80680%0.797SS**  trans77.1115.2143.2-106.1-81.9000122.6
424I26.9Very low31.1Very low149 Ų149142.6 Ų142.676%0.76479%0.791SS**  trans-49.2127.7156.7-60.9153.7000111.5
425I32.8Very low31Very low154 Ų154143.8 Ų143.879%0.7979%0.792SS**  trans-142.9116139.7-58.5-176.1000107.5
426A29.4Very low31.2Very low99 Ų99146.4 Ų146.482%0.81879%0.792SS**  trans-80118.4162.200000107.8
427S32.9Very low31.4Very low106 Ų106147.6 Ų147.674%0.74179%0.794SS**  trans-144.9121.4157.7-1740000109.2
428S29Very low31.5Very low115 Ų115145.2 Ų145.280%0.80480%0.795SS**  trans-55.4150.5167490000113.3
429G29.4Very low31.7Very low65 Ų65143.3 Ų143.367%0.6780%0.797SS**  trans10698150.200000115.2
430N32.9Very low31.9Very low157 Ų157141.5 Ų141.584%0.8480%0.796SS**  169.1124105.3-89.8-10000110.3S432N430-S432 PolarHBondContact O-N 3.17Å
431D31.9Very low31.6Very low173 Ų173143.6 Ų143.693%0.92580%0.797SS**  trans-59.7112.5157.9-66-51.4000109
432S34.3Very low32Very low92 Ų92143.1 Ų143.164%0.64380%0.799SS**  trans-138104.5160.668.10000109.8N430 L434N430-S432 PolarHBondContact O-N 3.17Å; S432-L434 PolarHBondContact O-N 3.5Å
433K32Very low32Very low210 Ų210141.7 Ų141.791%0.91380%0.796SS**  trans-44.6117.7157-73.6172173178.20109.3
434L36.5Very low32.3Very low158 Ų158140.5 Ų140.583%0.82780%0.795SS**  trans-127.4103.8155.3-81.9169.4000107.6S432S432-L434 PolarHBondContact O-N 3.5Å
435E29.2Very low32.6Very low168 Ų168142.8 Ų142.879%0.78580%0.8SS**  trans-53.8172.2150.7-79.6172.7128.200110.7
436Y32.3Very low32.4Very low203 Ų203142.1 Ų142.180%0.79680%0.797SS**  trans9695.3174.4-69.2-92.3000115.7
437N35.7Very low32.7Very low145 Ų145143.5 Ų143.578%0.77580%0.798SS**  179116.487.5-84.5-45.8000109.9
438A31.2Very low32.8Very low100 Ų100142.9 Ų142.983%0.82679%0.789SS**PPolyproline II helixtrans-73.5134.1169.700000110.2
439P37.9Very low33Very low126 Ų126147 Ų14782%0.81880%0.795SS**PPolyproline II helixtrans-82.4135.4156.3-2.921.6000110.1
440S31.8Very low33Very low112 Ų112150.6 Ų150.678%0.78380%0.799SS**PPolyproline II helixtrans-46.3138.6179.253.30000117.3
441Q30.4Very low33.1Very low169 Ų169152 Ų15279%0.7980%0.798SS**  trans2.1123.1141.3-62.3-172.3-13.200117.9
442V35.8Very low33.3Very low136 Ų136148.2 Ų148.282%0.82479%0.785SS**  -134.8112.4129.41780000107.5
443E31.5Very low33.3Very low165 Ų165150.7 Ų150.777%0.77179%0.79SS**  trans-57.8128170.7-67.1169.8121.800110.7
444N35.6Very low33.3Very low149 Ų149147.2 Ų147.280%0.79778%0.782SS**  trans-140.393.1148.1-92.1-39.4000108.9
445K31.6Very low33Very low196 Ų196145.7 Ų145.785%0.85278%0.779SS**  trans34.6105.6143.4-61.6-174.7178.7-176.30118.1
446L28.8Very low33.4Very low141 Ų141144.5 Ų144.574%0.73878%0.777SS**  trans-58.8150.7145.1-86.4128000110.9V448L446-V448 HydrophobicContact CD2-CB 3.68Å; L446-V448 HydrophobicContact CD2-CG2 3.22Å
447P37.2Very low33.5Very low128 Ų128141.4 Ų141.483%0.83177%0.773SS**  -129.3127.79119-0.1000112.7
448V33.7Very low33.5Very low92 Ų92140.4 Ų140.456%0.55877%0.766SS**  trans-80.1123.9162.71510000107.5L446 L450L446-V448 HydrophobicContact CD2-CB 3.68Å; L446-V448 HydrophobicContact CD2-CG2 3.22Å; V448-L450 HydrophobicContact CG1-CB 3.93Å; V448-L450 HydrophobicContact CG1-CD1 3.75Å; V448-L450 HydrophobicContact CG1-CG 3.67Å
449E33.3Very low33.6Very low201 Ų201143.9 Ų143.994%0.93977%0.765SS**  trans-99.696.8152.4-86.4-170.8152.500108
450L29.6Very low33.5Very low142 Ų142146.4 Ų146.474%0.74377%0.766SS**  trans-89.1113.6158.4-91.7161.9000106.8V448V448-L450 HydrophobicContact CG1-CB 3.93Å; V448-L450 HydrophobicContact CG1-CD1 3.75Å; V448-L450 HydrophobicContact CG1-CG 3.67Å
451K34.5Very low33.5Very low187 Ų187148 Ų14881%0.81377%0.766SS**  trans-146.189.9148.4-76.8-163.1177.2174.60109.7N453K451-N453 PolarHBondContact O-N 3.28Å
452S35.5Very low33.5Very low93 Ų93147.4 Ų147.465%0.6577%0.767SS**  trans-62.1112.4147.145.70000107.1D454S452-D454 PolarHBondContact O-N 3.42Å
453N35.4Very low33.4Very low143 Ų143148.6 Ų148.677%0.76577%0.769SS**  trans-82.8101.9165.4-73.1-24.1000106.6K451K451-N453 PolarHBondContact O-N 3.28Å
454D31.9Very low33.3Very low137 Ų137145.5 Ų145.573%0.73376%0.761SS**  trans-51.3138.3167.9-71.4-40.6000110.1S452 I456S452-D454 PolarHBondContact O-N 3.42Å; D454-I456 PolarHBondContact O-N 3.39Å
455T30.7Very low33Very low126 Ų126143.7 Ų143.777%0.77376%0.759SS**  trans-62.1102.7174.5-49.50000108.7I457T455-I457 HydrophobicContact CG2-CG1 3.98Å; T455-I457 PolarHBondContact O-N 2.81Å; T455-I457 VanDerWaalsContact O-N 3.1Å
456I37.5Very low32.9Very low143 Ų143141.3 Ų141.373%0.73376%0.755SS**  trans-76.396.5166.4-52.5179000106.1D454 I458D454-I456 PolarHBondContact O-N 3.39Å; I456-I458 HydrophobicContact CB-CG1 4.48Å; I456-I458 HydrophobicContact CG2-CD1 4.14Å; I456-I458 HydrophobicContact CG2-CG1 3.48Å; I456-I458 VanDerWaalsContact CG2-CG1 3.48Å; I456-I458 PolarHBondContact O-N 3.1Å
457I33.7Very low33.2Very low139 Ų139143.5 Ų143.571%0.71376%0.759SS**  trans-73.599.3162.9-57.9174.3000104.9T455 E459T455-I457 HydrophobicContact CG2-CG1 3.98Å; T455-I457 PolarHBondContact O-N 2.81Å; T455-I457 VanDerWaalsContact O-N 3.1Å; I457-E459 HydrophobicContact CG2-CG 4.49Å; I457-E459 PolarHBondContact O-N 2.79Å
458I36.5Very low32.9Very low124 Ų124142.8 Ų142.864%0.63676%0.757SS**  trans-84.1102.4169-55.9179.8000105.8I456 E460I456-I458 HydrophobicContact CB-CG1 4.48Å; I456-I458 HydrophobicContact CG2-CD1 4.14Å; I456-I458 HydrophobicContact CG2-CG1 3.48Å; I456-I458 VanDerWaalsContact CG2-CG1 3.48Å; I456-I458 PolarHBondContact O-N 3.1Å; I458-E460 VanDerWaalsContact C-N 3.31Å; I458-E460 HydrophobicContact CG2-CB 4.31Å; I458-E460 PolarHBondContact O-N 3.12Å; I458-E460 VanDerWaalsContact O-N 3.1Å
459E33Very low32.7Very low173 Ų173146.4 Ų146.481%0.80877%0.771SS**  trans-66.194.1159.6-68.6179161.300106.8I457I457-E459 HydrophobicContact CG2-CG 4.49Å; I457-E459 PolarHBondContact O-N 2.79Å
460E36.8Very low32.7Very low179 Ų179141.9 Ų141.984%0.83676%0.762SS**  trans-93103.9172-139.2169.3-161.700108.2I458I458-E460 VanDerWaalsContact C-N 3.31Å; I458-E460 HydrophobicContact CG2-CB 4.31Å; I458-E460 PolarHBondContact O-N 3.12Å; I458-E460 VanDerWaalsContact O-N 3.1Å
461D30.8Very low32.7Very low145 Ų145143.9 Ų143.978%0.77577%0.765SS**  trans-51.7137.7-177.7-79.6-44.1000113.1N463D461-N463 PolarHBondContact O-N 3.45Å
462L31.1Very low32.8Very low157 Ų157141.1 Ų141.182%0.82277%0.768SS**  trans-50.993.1164.9-93.7111.6000111.1V464L462-V464 VanDerWaalsContact C-N 3.35Å; L462-V464 HydrophobicContact CD2-CG2 4.04Å; L462-V464 PolarHBondContact O-N 3.31Å
463N33Very low32.5Very low161 Ų161143.8 Ų143.886%0.86177%0.774SS**  trans-84.886.6158.9-98.8-27.9000109.3D461 C465D461-N463 PolarHBondContact O-N 3.45Å; N463-C465 VanDerWaalsContact C-N 3.29Å; N463-C465 PolarHBondContact O-N 3.31Å
464V30.6Very low32.3Very low100 Ų100141 Ų14161%0.60677%0.767SS**  trans-63.190.1163.3-179.90000107.9L462 N466L462-V464 VanDerWaalsContact C-N 3.35Å; L462-V464 HydrophobicContact CD2-CG2 4.04Å; L462-V464 PolarHBondContact O-N 3.31Å; V464-N466 PolarHBondContact O-N 3.24Å; V464-N466 VanDerWaalsContact O-N 3.12Å
465C29.2Very low32.4Very low110 Ų110143.3 Ų143.374%0.74377%0.77SS**  trans-82.787.4171.5-157.60000109.2N463 K467N463-C465 VanDerWaalsContact C-N 3.29Å; N463-C465 PolarHBondContact O-N 3.31Å; C465-K467 PolarHBondContact O-N 3.36Å
466N28.5Very low32.4Very low147 Ų147145.9 Ų145.979%0.78677%0.771SS**  trans-69.798.6161.9-80.6-27000109.2V464V464-N466 PolarHBondContact O-N 3.24Å; V464-N466 VanDerWaalsContact O-N 3.12Å
467K34.8Very low32.3Very low186 Ų186147.1 Ų147.181%0.80978%0.779SS**  trans-131.5121.8153.6-88.9178.1176174.40105.8C465C465-K467 PolarHBondContact O-N 3.36Å
468S30.4Very low31.9Very low113 Ų113149.3 Ų149.379%0.7979%0.786SS**  11163.657.5141.20000110.4S470S468-S470 PolarHBondContact O-N 3.19Å
469I29.5Very low31.9Very low168 Ų168148.3 Ų148.386%0.86279%0.787SS**  trans-51.7113.1174.8-62.1160.1000108.8
470S33.2Very low31.8Very low106 Ų106146.1 Ų146.174%0.74179%0.786SS**  trans-126107.7165.3640000109.4S468S468-S470 PolarHBondContact O-N 3.19Å
471K31.3Very low31.7Very low185 Ų185146 Ų14680%0.80479%0.785SS**  trans-51.9129.9161.5-69.5171.9172.3-179.70109.6
472C35.4Very low31.9Very low129 Ų129145.1 Ų145.187%0.87278%0.779SS**  trans-135.2107.2150.8-86.30000107.7
473D30.5Very low32Very low148 Ų148144.2 Ų144.279%0.79177%0.773SS**  trans-66.8156.8168.6-76.2-55000111.9
474S29.8Very low31.9Very low86 Ų86144.1 Ų144.160%0.60177%0.768SS**  trans75.2114.4149.4-164.20000117.5
475F34.7Very low31.9Very low184 Ų184145.6 Ų145.681%0.80778%0.778SS**  -178.2120.499.3-93.7-74.2000111.1
476K31Very low32.2Very low180 Ų180146.6 Ų146.678%0.78378%0.78SS**  trans11.1125.9149.6-65.1177.7174.1-177.60118.5
477N34.6Very low32.2Very low170 Ų170143.1 Ų143.191%0.90977%0.772SS**  -172.6101.9121.4-86.8-18.5000110.3
478E25.9Very low32.2Very low185 Ų185142 Ų14286%0.86478%0.775SS**  trans-113.9163.1155.8-134.8-160.1150.700105.2
479P35.9Very low32Very low102 Ų102142.1 Ų142.166%0.66277%0.771SS**  cis-127.5149.8-25.933.2-17.7000111.4
480V31.8Very low32Very low127 Ų127138.2 Ų138.277%0.7776%0.764SS**  trans-148.6103.4152.1-172.90000109I482V480-I482 HydrophobicContact CG1-CD1 4.49Å; V480-I482 HydrophobicContact CG1-CG1 3.72Å; V480-I482 PolarHBondContact O-N 3.02Å
481E33.2Very low32Very low178 Ų178141.1 Ų141.183%0.83277%0.769SS**  trans-63.4114155.9-80.5-179.2141.900108.2
482I35.2Very low32Very low126 Ų126138.9 Ų138.965%0.64677%0.765SS**  trans-100.391.3166.1-57.5177.9000106.1V480 E484V480-I482 HydrophobicContact CG1-CD1 4.49Å; V480-I482 HydrophobicContact CG1-CG1 3.72Å; V480-I482 PolarHBondContact O-N 3.02Å; I482-E484 VanDerWaalsContact C-N 3.32Å; I482-E484 HydrophobicContact CG2-CB 3.97Å; I482-E484 HydrophobicContact CG2-CG 3.76Å; I482-E484 PolarHBondContact O-N 3.34Å
483I34.3Very low31.9Very low137 Ų137138.7 Ų138.770%0.70376%0.764SS**  trans-87.182.9159.9-56.5174.3000105.8
484E30.1Very low31.9Very low159 Ų159139.5 Ų139.574%0.74376%0.764SS**  trans-94.191.6165.7-88.3-174.5167.800109.1I482 T486I482-E484 VanDerWaalsContact C-N 3.32Å; I482-E484 HydrophobicContact CG2-CB 3.97Å; I482-E484 HydrophobicContact CG2-CG 3.76Å; I482-E484 PolarHBondContact O-N 3.34Å; E484-T486 PolarHBondContact O-N 2.91Å; E484-T486 VanDerWaalsContact O-N 3.12Å
485T31.3Very low32.2Very low132 Ų132142.3 Ų142.381%0.8178%0.777SS**  trans-52104.5154.6170000109.9
486T34Very low32.1Very low131 Ų131138.3 Ų138.380%0.80477%0.772SS**  trans-89.1110.3164.1-42.70000109.2E484E484-T486 PolarHBondContact O-N 2.91Å; E484-T486 VanDerWaalsContact O-N 3.12Å
487A29.4Very low32.1Very low74 Ų74137.7 Ų137.761%0.61277%0.772SS**  trans-73.511517400000111.5T489A487-T489 PolarHBondContact O-OG1 2.87Å
488N34Very low32.2Very low161 Ų161139.6 Ų139.686%0.86177%0.772SS**  trans-102.591.4146.1-72.4-22.1000104.5
489T27.9Very low32.7Very low117 Ų117136.8 Ų136.872%0.71876%0.759SS**  63101.971.3-46.80000112.7A487A487-T489 PolarHBondContact O-OG1 2.87Å
490A28Very low32.7Very low85 Ų85140 Ų14070%0.70277%0.771SS**  trans47.3132147.400000118.7
491I33.8Very low33Very low168 Ų168141.7 Ų141.786%0.86277%0.767SS**  -147138.359.1-74.3162.2000110.7
492I31Very low33.3Very low138 Ų138139.8 Ų139.871%0.70877%0.768SS**  trans-75.8143.3176.2-60.2150.7000109.3E494I492-E494 HydrophobicContact CG2-CG 3.91Å
493S33.9Very low33.2Very low124 Ų124141.8 Ų141.887%0.86778%0.78SS**  trans-133.7111.1143.9-156.60000108.2
494E29.9Very low33.3Very low166 Ų166140 Ų14078%0.77678%0.779SS**  trans-56.2137.2176.5-65.8159.5133.400111.3I492I492-E494 HydrophobicContact CG2-CG 3.91Å
495V36.9Very low33.3Very low145 Ų145138.5 Ų138.588%0.87978%0.781SS**  trans-132126.5132-177.80000107
496S31.5Very low33.5Very low100 Ų100139.3 Ų139.370%0.69978%0.779SS**  trans-64.7140.9-165.154.10000116.2
497E30.7Very low33.5Very low167 Ų167138.2 Ų138.278%0.7877%0.774SS**  trans6.5129141.2-68.6172.7155.800119
498K38.1Very low33.7Very low209 Ų209142.6 Ų142.691%0.90979%0.786SS**  -138.7110.9121.2-74.8-156.8173.9-175.50110.2
499E35.7Very low33.6Very low126 Ų126142.6 Ų142.659%0.58979%0.786SS**  trans-56.3139159.2-75.5177.8114.800110.1K501E499-K501 IonicContact OE1-NZ 3.68Å; E499-K501 PolarHBondContact OE1-NZ 3.09Å
500D37Very low34Very low171 Ų171145.9 Ų145.991%0.91479%0.794SS**  trans-132106.3142.7-96.8-34.8000107.5
501K36.4Very low34.2Very low162 Ų162149.8 Ų149.870%0.70480%0.797SS**  trans-79.5124.5171.7-82.9174.4169.5115.70109E499E499-K501 IonicContact OE1-NZ 3.68Å; E499-K501 PolarHBondContact OE1-NZ 3.09Å
502T40.6Very low34.4Very low138 Ų138149.5 Ų149.585%0.84780%0.797SS**  trans-142.798.1148.440.40000109.7S504T502-S504 PolarHBondContact O-N 2.81Å
503D32.7Very low34.5Very low167 Ų167152.9 Ų152.989%0.89380%0.8SS**  trans-66.5118.3160.3-86.7-40.9000108.9
504S35.7Very low34.5Very low99 Ų99153.8 Ų153.869%0.69280%0.796SS**  trans-139.888.9169.9160.60000108.1T502 I506T502-S504 PolarHBondContact O-N 2.81Å; S504-I506 PolarHBondContact O-N 2.72Å
505V31.9Very low34.5Very low129 Ų129154.2 Ų154.278%0.78280%0.802SS**  trans-76.8109.9167.6174.70000108.2
506I34.1Very low34.2Very low148 Ų148152.6 Ų152.676%0.75980%0.796SS**  trans-139.8114154-58.5178.2000107.3S504S504-I506 PolarHBondContact O-N 2.72Å
507P33.5Very low34.2Very low108 Ų108157.3 Ų157.370%0.70180%0.804SS**  trans-98.8123163.432.7-22.2000109.6
508L34.6Very low34.3Very low166 Ų166154.1 Ų154.187%0.86980%0.801SS**  trans-151.1133.8148.1-141.293.3000110.4E510L508-E510 PolarHBondContact O-N 2.91Å
509N32.2Very low34.4Very low161 Ų161150.3 Ų150.386%0.86180%0.797SS**  trans-45.2125.3167-80.5-42.1000111.4
510E35.7Very low34.1Very low187 Ų187152.6 Ų152.687%0.87481%0.808SS**  trans-139.7135.5149.4-141.4163.8-154.700110.3L508 L512L508-E510 PolarHBondContact O-N 2.91Å; E510-L512 PolarHBondContact O-N 2.86Å
511E32.2Very low33.8Very low167 Ų167150 Ų15078%0.7880%0.801SS**  trans-87.294.4-161.6-173.3175.8-158.600108.2
512L38.9Very low33.5Very low162 Ų162148.4 Ų148.485%0.84881%0.806SS**  trans-115.776.3170.6-68.6178.4000109.9E510E510-L512 PolarHBondContact O-N 2.86Å
513R31.6Very low33Very low208 Ų208150.8 Ų150.879%0.78580%0.804SS**  trans-60.7142.9147.9-65.9-173-177.6-165.91.9107.7
514D34.1Very low32.9Very low144 Ų144147.3 Ų147.377%0.7780%0.798SS**  trans94.928.5162.3-50.4-23.5000119.9C516D514-C516 VanDerWaalsContact C-N 3.26Å; D514-C516 PolarHBondContact O-N 3.48Å
515L31Very low32.6Very low174 Ų174148.8 Ų148.891%0.91180%0.804SS**  trans-86.971.4154.7-123.581.3000111.8K517L515-K517 PolarHBondContact O-N 2.89Å
516C29.5Very low32.4Very low112 Ų112146.7 Ų146.776%0.75780%0.795SS**  trans-60.6108.2151.1-75.80000108.8D514D514-C516 VanDerWaalsContact C-N 3.26Å; D514-C516 PolarHBondContact O-N 3.48Å
517K32.9Very low32.2Very low198 Ų198150.5 Ų150.586%0.86180%0.8SS**  trans-174.9102.1147.1-101.2159.3-169.5-174.20111.7L515L515-K517 PolarHBondContact O-N 2.89Å
518S31.2Very low32Very low101 Ų101153.6 Ų153.671%0.70680%0.802SS**  trans33.8116139173.70000119.4
519P40Very low31.9Very low128 Ų128154.1 Ų154.183%0.83181%0.805SS**  trans-102.1122.4132.722.4-7.4000109.9C521P519-C521 PolarHBondContact O-N 2.87Å
520E30.8Very low32Very low174 Ų174153.4 Ų153.481%0.81380%0.798SS**  trans-42.5114172.1-66160.313700112.1T522E520-T522 PolarHBondContact O-N 2.93Å
521C30.1Very low31.9Very low116 Ų116149.7 Ų149.778%0.78479%0.793SS**  trans-88.798164.9-164.40000108.1P519 K523P519-C521 PolarHBondContact O-N 2.87Å; C521-K523 VanDerWaalsContact C-N 3.33Å; C521-K523 PolarHBondContact O-N 3.4Å
522T29.6Very low32.1Very low130 Ų130149.5 Ų149.580%0.79880%0.797SS**  trans-54.885.8176.3-38.70000111E520 A524E520-T522 PolarHBondContact O-N 2.93Å; T522-A524 PolarHBondContact O-N 3.33Å; T522-A524 VanDerWaalsContact O-N 3.15Å
523K31.6Very low32Very low188 Ų188148.9 Ų148.982%0.81780%0.795SS**  trans-74.6105.2169.5-79.6-176.1179.6176.50108.4C521 T525C521-K523 VanDerWaalsContact C-N 3.33Å; C521-K523 PolarHBondContact O-N 3.4Å; K523-T525 PolarHBondContact O-N 3.34Å; K523-T525 VanDerWaalsContact O-N 3.07Å
524A30.4Very low32Very low93 Ų93146.9 Ų146.977%0.76979%0.794SS**  trans-44.7112.9172.700000111T522 S526T522-A524 PolarHBondContact O-N 3.33Å; T522-A524 VanDerWaalsContact O-N 3.15Å; A524-S526 VanDerWaalsContact C-N 3.28Å; A524-S526 PolarHBondContact O-N 2.73Å
525T28.1Very low32Very low130 Ų130147.2 Ų147.280%0.79880%0.795SS**  trans-67.985.1175.8-38.40000109.2K523 R527K523-T525 PolarHBondContact O-N 3.34Å; K523-T525 VanDerWaalsContact O-N 3.07Å; T525-R527 PolarHBondContact O-N 3.48Å
526S28.7Very low31.9Very low85 Ų85143.8 Ų143.859%0.59479%0.785SS**  trans-69.499.6167.5170.30000108.3A524 F528A524-S526 VanDerWaalsContact C-N 3.28Å; A524-S526 PolarHBondContact O-N 2.73Å; S526-F528 VanDerWaalsContact C-N 3.26Å; S526-F528 PolarHBondContact O-N 3.46Å; S526-F528 WeakPolarHBondContact OG-CD2 3.26Å; S526-F528 WeakPolarHBondContact OG-CE2 3.48Å
527R28.8Very low32Very low229 Ų229143 Ų14386%0.86478%0.777SS**  trans-64.180.3173.5-64.2178.7-178.6173.2-0.4110.4T525T525-R527 PolarHBondContact O-N 3.48Å
528F30.5Very low32Very low172 Ų172139.1 Ų139.175%0.75477%0.769SS**  trans-92.4108.1156.8-82.8-79.3000107.6S526 M530S526-F528 VanDerWaalsContact C-N 3.26Å; S526-F528 PolarHBondContact O-N 3.46Å; S526-F528 WeakPolarHBondContact OG-CD2 3.26Å; S526-F528 WeakPolarHBondContact OG-CE2 3.48Å; F528-M530 VanDerWaalsContact C-N 3.29Å; F528-M530 PolarHBondContact O-N 3.34Å
529L33.3Very low32.1Very low178 Ų178142.8 Ų142.893%0.93277%0.773SS**  trans-60.990.7168.2-65.4162.1000107.7
530M33Very low31.7Very low146 Ų146147 Ų14772%0.71977%0.772SS**  trans-114.8115.5171.6-111.8164.761.100107.2F528F528-M530 VanDerWaalsContact C-N 3.29Å; F528-M530 PolarHBondContact O-N 3.34Å
531S33.2Very low31.9Very low108 Ų108144.4 Ų144.476%0.75576%0.764SS**  trans-55.6137.7-171.8-45.90000113.2D533S531-D533 PolarHBondContact O-N 2.98Å
532D36.2Very low32.5Very low163 Ų163144.2 Ų144.287%0.87276%0.761SS**SBendtrans-69.133.5-168.9-74.4-44.8000117Q534D532-Q534 VanDerWaalsContact C-N 3.34Å; D532-Q534 PolarHBondContact O-N 2.93Å
533D37.3Very low33Very low149 Ų149144.9 Ų144.980%0.79776%0.76SS**  trans-97.230.6178.5-69-16.2000113S531 I535S531-D533 PolarHBondContact O-N 2.98Å; D533-I535 PolarHBondContact O-N 3.33Å
534Q32.7Very low33.2Very low166 Ų166141.4 Ų141.478%0.77675%0.754SS**  trans-75.894.5173.1-71.6-166.717.700110.7D532 S536D532-Q534 VanDerWaalsContact C-N 3.34Å; D532-Q534 PolarHBondContact O-N 2.93Å; Q534-S536 PolarHBondContact O-N 3.48Å
535I32.6Very low33.6Very low152 Ų152144.9 Ų144.978%0.77975%0.754SS**  trans-55.3103.1165.1-59.8169.6000108.2D533 V537D533-I535 PolarHBondContact O-N 3.33Å; I535-V537 HydrophobicContact CG2-CG2 3.99Å; I535-V537 PolarHBondContact O-N 3.28Å
536S29.8Very low33.9Very low102 Ų102147.3 Ų147.371%0.71376%0.757SS**  trans-69.8106.3168.61760000108.7Q534Q534-S536 PolarHBondContact O-N 3.48Å
537V31.3Very low34Very low96 Ų96148.7 Ų148.758%0.58277%0.765SS**  trans-91.7100.2170.9-178.30000107.5I535 F539I535-V537 HydrophobicContact CG2-CG2 3.99Å; I535-V537 PolarHBondContact O-N 3.28Å; V537-F539 HydrophobicContact CB-CE2 4.38Å; V537-F539 HydrophobicContact CG1-CD2 4.43Å; V537-F539 HydrophobicContact CG1-CE1 4.35Å; V537-F539 HydrophobicContact CG1-CE2 4.03Å; V537-F539 HydrophobicContact CG1-CZ 3.98Å; V537-F539 WeakPolarHBondContact O-CD2 3.34Å; V537-F539 PolarHBondContact O-N 3.43Å
538V32.9Very low34.1Very low115 Ų115147.1 Ų147.170%0.69777%0.768SS**  trans-78.2107173-179.70000108.2R540V538-R540 PolarHBondContact O-N 3.28Å
539F34.4Very low34.1Very low179 Ų179143.9 Ų143.979%0.78577%0.766SS**  trans-73.8105.2169.9-65.6-86.8000108.5V537 N541V537-F539 HydrophobicContact CB-CE2 4.38Å; V537-F539 HydrophobicContact CG1-CD2 4.43Å; V537-F539 HydrophobicContact CG1-CE1 4.35Å; V537-F539 HydrophobicContact CG1-CE2 4.03Å; V537-F539 HydrophobicContact CG1-CZ 3.98Å; V537-F539 WeakPolarHBondContact O-CD2 3.34Å; V537-F539 PolarHBondContact O-N 3.43Å; F539-N541 PolarHBondContact O-N 3.17Å
540R30.8Very low33.9Very low217 Ų217142.7 Ų142.782%0.81976%0.76SS**  trans-70.3116.9164.5-78.4-171.4-178.3-177.30.6107.6V538 P542V538-R540 PolarHBondContact O-N 3.28Å; R540-P542 WeakPolarHBondContact O-CD 3.17Å
541N35.6Very low33.9Very low119 Ų119141 Ų14164%0.63676%0.763SS**  trans-59.5123.9167.2-87.8-14000108.2F539 D543F539-N541 PolarHBondContact O-N 3.17Å; N541-D543 PolarHBondContact O-N 3.34Å
542P42.1Very low33.7Very low111 Ų111142.3 Ų142.372%0.72176%0.757SS**G310 helixtrans-72.4-6.1176.528.8-33.1000113.2R540 T544R540-P542 WeakPolarHBondContact O-CD 3.17Å; P542-T544 VanDerWaalsContact C-N 3.31Å; P542-T544 PolarHBondContact O-N 3.06Å
543D40.8Very low33.5Very low145 Ų145140.5 Ų140.578%0.77575%0.751SS**G310 helixtrans-85.22.1-172.8-57.8-29.4000114.3N541N541-D543 PolarHBondContact O-N 3.34Å
544T35.3Very low33.1Very low114 Ų114139 Ų13970%0.69974%0.744SS**G310 helixtrans-121.120.8-178.330.40000115P542 E546P542-T544 VanDerWaalsContact C-N 3.31Å; P542-T544 PolarHBondContact O-N 3.06Å; T544-E546 PolarHBondContact O-N 2.98Å; T544-E546 VanDerWaalsContact O-N 3.12Å
545E37.7Very low33.1Very low166 Ų166139.1 Ų139.178%0.77674%0.744SS**  trans-83.183.8157.7-71.8-168.2-177.500108.8C547E545-C547 PolarHBondContact O-N 2.84Å; E545-C547 VanDerWaalsContact O-N 3.1Å
546E35.8Very low33.1Very low181 Ų181138.8 Ų138.885%0.84674%0.743SS**  trans-41.2117.2152.7-72.8-179.9158.500107.8T544 Q548T544-E546 PolarHBondContact O-N 2.98Å; T544-E546 VanDerWaalsContact O-N 3.12Å; E546-Q548 VanDerWaalsContact C-N 3.35Å; E546-Q548 PolarHBondContact O-N 2.99Å
547C30.8Very low33.2Very low114 Ų114139.5 Ų139.577%0.7775%0.747SS**  trans-54.3101.5172.9-70.50000108E545 S549E545-C547 PolarHBondContact O-N 2.84Å; E545-C547 VanDerWaalsContact O-N 3.1Å; C547-S549 PolarHBondContact O-N 2.99Å; C547-S549 PolarHBondContact O-OG 2.85Å
548Q30.9Very low33.2Very low197 Ų197141 Ų14192%0.92176%0.761SS**  trans-64.395.1162.1-85.4-171.8-11.400106.8E546 L550E546-Q548 VanDerWaalsContact C-N 3.35Å; E546-Q548 PolarHBondContact O-N 2.99Å; Q548-L550 PolarHBondContact O-N 3.38Å
549S30Very low33.3Very low103 Ų103140.6 Ų140.672%0.7276%0.764SS**  trans-55.4116173.1-54.20000108.6C547 S551C547-S549 PolarHBondContact O-N 2.99Å; C547-S549 PolarHBondContact O-OG 2.85Å; S549-S551 PolarHBondContact O-N 3.26Å
550L29.2Very low33Very low154 Ų154141.8 Ų141.881%0.80677%0.772SS**  trans29.792.2139.8-67.3159.4000115.7Q548Q548-L550 PolarHBondContact O-N 3.38Å
551S32.1Very low33Very low110 Ų110134.5 Ų134.577%0.76976%0.764SS**  trans-109.281.7144-175.20000107.2S549 V553S549-S551 PolarHBondContact O-N 3.26Å; S551-V553 PolarHBondContact O-N 3.07Å
552Q29Very low32.8Very low135 Ų135137.2 Ų137.263%0.63178%0.777SS**  trans-72.5101.7163.1-174.2176.8-5.100105.9D554Q552-D554 VanDerWaalsContact C-N 3.34Å; Q552-D554 PolarHBondContact NE2-OD1 3.3Å; Q552-D554 PolarHBondContact O-N 2.94Å
553V32.5Very low32Very low125 Ų125135.2 Ų135.276%0.75878%0.776SS**  trans-84.491.2163.1-178.40000105.5S551S551-V553 PolarHBondContact O-N 3.07Å
554D30Very low31.6Very low119 Ų119135.9 Ų135.964%0.63678%0.775SS**  trans-69.1125.2158.5-72.2-34.4000107.9Q552Q552-D554 VanDerWaalsContact C-N 3.34Å; Q552-D554 PolarHBondContact NE2-OD1 3.3Å; Q552-D554 PolarHBondContact O-N 2.94Å
555E31.9Very low31.4Very low168 Ų168138 Ų13879%0.78578%0.775SS**  trans-176.3137145.2-92.6-163.8140.400106.7
556L32.7Very low31.3Very low144 Ų144137 Ų13775%0.75477%0.774SS**  cis-163.8141.9-4.7-110.1162.8000105.3
557C32Very low31Very low118 Ų118135.4 Ų135.480%0.79777%0.771SS**  trans-65.5136.4170.9-72.70000110.7S559C557-S559 PolarHBondContact O-N 3.18Å
558S31.2Very low31.3Very low126 Ų126137.5 Ų137.588%0.88177%0.771SS**  trans-79106.3162.147.20000109.9
559S33.8Very low31.4Very low107 Ų107135.1 Ų135.175%0.74876%0.76SS**  trans-142.599.7158.963.90000109.5C557C557-S559 PolarHBondContact O-N 3.18Å
560E29.1Very low31.7Very low204 Ų204137.5 Ų137.595%0.95376%0.76SS**  trans-62.5146.2161.8-94.7163.1133.900111.6
561G31Very low31.9Very low65 Ų65136.8 Ų136.867%0.6776%0.756SS**  trans110.885.4169.800000112.5
562I31Very low31.9Very low175 Ų175139.1 Ų139.190%0.89776%0.758SS**  5489.587-54.6171.1000112.7
563G26.2Very low32.1Very low69 Ų69137.8 Ų137.871%0.71176%0.761SS**  trans52.5115.2131.800000120.8
564E32.5Very low32.2Very low160 Ų160137.9 Ų137.975%0.74877%0.768SS**  -169.8122.2119.6-122.9-171.7140.600112.1
565K30.2Very low32.2Very low158 Ų158137.8 Ų137.869%0.68777%0.771SS**  77.8132.4126.4-111.5-177.5-161.8145.30123.4
566L35.1Very low32.4Very low144 Ų144136.8 Ų136.875%0.75477%0.771SS**  trans86.897.6150.8-52.7176.3000116.1
567D30.3Very low32.3Very low149 Ų149134.6 Ų134.680%0.79777%0.768SS**  47.399.279.2-88.2-17.4000114.3
568M36.4Very low32.3Very low157 Ų157137.7 Ų137.777%0.77377%0.771SS**  trans-152.794141.5-82.6-65.5-86.200104.6
569E32.3Very low32.3Very low148 Ų148138.5 Ų138.569%0.69277%0.765SS**  38.5105.6102.3-69.7-171163.600112.7
570H37.8Very low32.2Very low152 Ų152143.5 Ų143.570%0.70477%0.768SS**  173.6128.8120.8-87-36.5000114.1
571L32.2Very low32.6Very low139 Ų139141.1 Ų141.173%0.72876%0.762SS**  trans7192.1151.8-79.684.3000117.6
572I32Very low32.7Very low160 Ų160144.2 Ų144.282%0.82176%0.763SS**  79.5134.973.5-66.1174.3000113.2
573P33.7Very low32.9Very low107 Ų107142.9 Ų142.970%0.69576%0.757SS**  trans-107.3150.2-144.537.8-26.7000113.4
574S34.7Very low33.4Very low127 Ų127144.7 Ų144.789%0.88876%0.759SS**  trans-101.5103.5163.3420000109.8
575T30.7Very low33.4Very low116 Ų116145.4 Ų145.471%0.71276%0.763SS**  trans-63.7137.3167.144.40000112.6
576N35.3Very low33.7Very low147 Ų147145.2 Ų145.279%0.78676%0.764SS**  trans-172.497.5140.5-86-17.4000104.6
577S31.2Very low33.6Very low98 Ų98144 Ų14469%0.68576%0.763SS**  32.3121.787.4690000111.5
578E31.1Very low33.6Very low184 Ų184145 Ų14586%0.8677%0.768SS**  cis179.8166.642.3-158167.4-178.800107.8
579N32.4Very low33.5Very low143 Ų143146.3 Ų146.377%0.76577%0.772SS**  trans91.888.8162.8-130.321.5000117
580R31.5Very low33.4Very low212 Ų212143.8 Ų143.880%0.877%0.77SS**  61.110677.8-78.7-171.5167.4174.8-2.6115.7
581N36.1Very low33.1Very low154 Ų154146 Ų14682%0.82478%0.778SS**  178.6104.6122.6-84.4-13.8000106.5
582N33.8Very low33Very low130 Ų130147.2 Ų147.270%0.69578%0.784SS**  57.3100.276.4-80.821.4000113.7
583D35.2Very low33.2Very low146 Ų146145 Ų14578%0.78177%0.773SS**  159.6148103.2-78.9-23.2000113.6
584S37.2Very low33.1Very low108 Ų108145.7 Ų145.776%0.75578%0.78SS**  trans82.599.5177.368.50000116.9
585E32.6Very low33.1Very low174 Ų174149.5 Ų149.581%0.81378%0.777SS**  60.5133.968.2-68.5-168.3160.800112.4
586E36Very low33.1Very low154 Ų154152 Ų15272%0.7278%0.78SS**  cis-169.1130.62.6-107.7-170.8143.800104.2
587T33.2Very low32.9Very low119 Ų119151.3 Ų151.373%0.7378%0.776SS**  83.9105.1104.5-46.80000116.3
588L31.4Very low32.9Very low171 Ų171153.1 Ų153.190%0.89578%0.779SS**  trans-33.3126.9159.4-62.1158.5000116
589Q32.7Very low32.9Very low184 Ų184153.3 Ų153.386%0.8678%0.779SS**  trans-117.5100.3152.1-86.6-171.30.300107.5
590S31.9Very low33Very low95 Ų95151.7 Ų151.766%0.66478%0.779SS**  82.3108.993.271.60000114.2
591K29.8Very low33Very low198 Ų198146.7 Ų146.786%0.86178%0.777SS**  68.8107.2125.3-163.6176.8-170.9177.80117.1
592L31.9Very low32.7Very low164 Ų164145 Ų14586%0.85978%0.777SS**  trans174.6128.7156.4-94.6151.2000103.1
593I35.9Very low32.6Very low114 Ų114146.5 Ų146.559%0.58579%0.785SS**  cis-159.4126.328.7-55.3179.3000106.6Y595I593-Y595 HydrophobicContact CB-CD2 4.14Å; I593-Y595 HydrophobicContact CB-CE2 4.26Å; I593-Y595 HydrophobicContact CD1-CE2 4.13Å; I593-Y595 HydrophobicContact CG2-CD2 3.41Å; I593-Y595 VanDerWaalsContact CG2-CD2 3.41Å; I593-Y595 HydrophobicContact CG2-CE2 3.51Å; I593-Y595 HydrophobicContact CG2-CG 4.23Å; I593-Y595 PolarHBondContact O-N 2.7Å
594S32Very low32.3Very low121 Ų121144.4 Ų144.485%0.84678%0.782SS**  trans-82.9103.216143.10000108E596S594-E596 PolarHBondContact O-N 3.24Å
595Y34.4Very low32.1Very low208 Ų208145.4 Ų145.482%0.81678%0.783SS**  trans-82.8104.9167.7-94.7-83.5000108.8I593I593-Y595 HydrophobicContact CB-CD2 4.14Å; I593-Y595 HydrophobicContact CB-CE2 4.26Å; I593-Y595 HydrophobicContact CD1-CE2 4.13Å; I593-Y595 HydrophobicContact CG2-CD2 3.41Å; I593-Y595 VanDerWaalsContact CG2-CD2 3.41Å; I593-Y595 HydrophobicContact CG2-CE2 3.51Å; I593-Y595 HydrophobicContact CG2-CG 4.23Å; I593-Y595 PolarHBondContact O-N 2.7Å
596E29.5Very low31.9Very low167 Ų167146 Ų14678%0.7879%0.786SS**  trans-94118.6163.5-160168.4-160.100105.8S594S594-E596 PolarHBondContact O-N 3.24Å
597N31.8Very low31.9Very low133 Ų133148.2 Ų148.271%0.71179%0.793SS**  167.7139.3129.3-91.6-7000114.5
598D31.5Very low31.9Very low137 Ų137148 Ų14873%0.73380%0.796SS**  trans81.675.3147.6-56-19.4000119.1
599H29.6Very low31.9Very low188 Ų188147.3 Ų147.387%0.8779%0.793SS**  trans-68.6120.9133-74.8-70.1000110.2
600S34.9Very low31.8Very low109 Ų109147.2 Ų147.276%0.76279%0.792SS**  trans-163.1107.5149.9-81.70000113.4
601S32.3Very low31.8Very low107 Ų107151.4 Ų151.475%0.74880%0.799SS**  trans53.1106.314269.10000120.7
602S30.4Very low32.1Very low119 Ų119148.6 Ų148.683%0.83279%0.792SS**  trans-33.6126.9133.750.30000114.8
603N31.7Very low32.1Very low160 Ų160149.4 Ų149.486%0.85679%0.791SS**  trans-149.2130.5142.8-140-3.5000111.9
604S28Very low32Very low103 Ų103152.3 Ų152.372%0.7280%0.802SS**  trans-88.2133.3179.880.40000110
605T33.5Very low31.9Very low129 Ų129156.5 Ų156.579%0.79180%0.799SS**  trans-158.6120.7146.4-23.30000110.5K607T605-K607 PolarHBondContact O-N 3.16Å
606H28.5Very low31.9Very low187 Ų187154.2 Ų154.287%0.86680%0.801SS**  trans-58.6120.9160.9-77.8-96.2000109.5
607K34.8Very low32.1Very low200 Ų200153.8 Ų153.887%0.8780%0.804SS**  trans-135.3113.2154.9-102.7-175.6176.8-1760108.8T605T605-K607 PolarHBondContact O-N 3.16Å
608S34.1Very low32.3Very low114 Ų114156.8 Ų156.880%0.79781%0.814SS**  trans-64.7142.3173.3-53.30000111
609L30.6Very low32.4Very low157 Ų157155 Ų15582%0.82281%0.813SS**  trans8.1113.9152.3-97.6103.1000117.1F611L609-F611 HydrophobicContact CD2-CD2 4.29Å; L609-F611 HydrophobicContact CD2-CE2 3.91Å
610E31.8Very low32.6Very low182 Ų182154 Ų15485%0.8581%0.808SS**  trans-131.3120.1150.8-154.6165.9-155.100107.6I612E610-I612 PolarHBondContact O-N 3.37Å
611F31.1Very low32.8Very low183 Ų183157.5 Ų157.580%0.80381%0.812SS**  trans-64.5122.1175.6-90.2-106000109.3L609L609-F611 HydrophobicContact CD2-CD2 4.29Å; L609-F611 HydrophobicContact CD2-CE2 3.91Å
612I36.7Very low33Very low138 Ų138157.3 Ų157.371%0.70880%0.803SS**  trans-128.295.3157-56.2-179.4000107E610 Q614E610-I612 PolarHBondContact O-N 3.37Å; I612-Q614 HydrophobicContact CG2-CB 4.3Å; I612-Q614 PolarHBondContact O-N 3.39Å
613E31Very low33.5Very low181 Ų181159.8 Ų159.885%0.84681%0.807SS**  trans-69.596.4164-170175.5-149.500106.9
614Q33.3Very low33.7Very low175 Ų175157.8 Ų157.882%0.81880%0.795SS**  trans-108.7105.5174.8-143.616916.500109.1I612I612-Q614 HydrophobicContact CG2-CB 4.3Å; I612-Q614 PolarHBondContact O-N 3.39Å
615R30.3Very low34.3Very low209 Ų209161.9 Ų161.979%0.78980%0.8SS**  trans-55.5142165.8-60.4174.8-170.8155.42.1110
616N34.7Very low34.5Very low160 Ų160164.2 Ų164.286%0.85681%0.808SS**  -169.2130.2123.7-89.8-20.1000110.3
617D33Very low34.7Very low158 Ų158162.5 Ų162.585%0.84580%0.8SS**  trans-72.9132.8175.4-56.5-66.9000111.7
618E35.7Very low34.8Very low196 Ų196161 Ų16192%0.91680%0.801SS**  trans-167.3126.7160.5-109.3173.817700104.4
619S34.3Very low34.8Very low100 Ų100162.2 Ų162.270%0.69980%0.797SS**  cis-164.6134.116.249.80000107.2
620Q33.1Very low35.2Very low167 Ų167159.7 Ų159.778%0.7879%0.793SS**  trans-61.6137164.7-81.6176.1-75.400110.2
621H40.2Very low35.3Very low183 Ų183158.1 Ų158.185%0.84779%0.791SS**  trans-117.2106.6152.2-108.8-73.6000108.2
622D36.2Very low35.4Very low102 Ų102156 Ų15655%0.54579%0.793SS.*  trans-68.8119169.6-67-41.2000109.6I624D622-I624 HydrophobicContact CB-CD1 4.17Å; D622-I624 HydrophobicContact CB-CG1 4.3Å
623N40.8Very low35.6Very low172 Ų172155.3 Ų155.392%0.9280%0.797SS**  trans-108.291.1153.2-96.6-8.1000107.6
624I36.2Very low35.6Very low118 Ų118153.5 Ų153.561%0.60579%0.794SS**  trans-72.7149.5164.4-69.7159.2000107.6D622D622-I624 HydrophobicContact CB-CD1 4.17Å; D622-I624 HydrophobicContact CB-CG1 4.3Å
625F40.8Very low35.6Very low188 Ų188151.6 Ų151.683%0.82579%0.794SS**  trans9669178.9-52.8-68.6000116.7
626D38Very low35.6Very low179 Ų179148.6 Ų148.696%0.95779%0.793SS**  trans-143.280130.1-91.6-32.8000108.2
627E32.7Very low35.4Very low151 Ų151147.5 Ų147.571%0.70678%0.783SS**  trans-103.5109.4170.5-173.7177.1-166.900107.8I629E627-I629 HydrophobicContact CG-CD1 4.3Å
628N35.9Very low35.5Very low167 Ų167146 Ų14689%0.89378%0.782SS**  trans-147.8101.6151.6-95.6-40.7000109.4
629I34.9Very low35.5Very low140 Ų140142.5 Ų142.572%0.71877%0.768SS**  trans-73.4126.1175.6-64.4156.3000108.6E627E627-I629 HydrophobicContact CG-CD1 4.3Å
630S37.7Very low35.5Very low105 Ų105144.1 Ų144.173%0.73477%0.774SS**  trans-147.6109.7152.960.50000112.5
631N34.7Very low35.6Very low149 Ų149141.3 Ų141.380%0.79777%0.768SS**  trans56.694.3145.4-59.9-15.7000120.2
632T33.6Very low35.3Very low138 Ų138141.5 Ų141.585%0.84777%0.769SS**  trans-60.3141.6150.342.30000113.5
633P39.9Very low35.4Very low124 Ų124143.1 Ų143.181%0.80578%0.778SS**  trans-119.293.4132.430.1-17.4000110.2V635P633-V635 PolarHBondContact O-N 3.43Å
634N31.6Very low35.1Very low143 Ų143143.9 Ų143.977%0.76578%0.776SS**  trans22.192.3133.4-164.616.6000118.8
635V32.8Very low35.1Very low135 Ų135144.6 Ų144.682%0.81879%0.79SS**  trans-153.275.6141.7-170.40000109.4P633P633-V635 PolarHBondContact O-N 3.43Å
636N30.3Very low34.8Very low146 Ų146139.1 Ų139.178%0.78179%0.787SS**  trans-144145.4158.9-75.3-19.3000104.3
637E30.8Very low34.5Very low137 Ų137140 Ų14064%0.6479%0.785SS**  cis-164.1165.82.1-116.4174.4161.300103.4I639E637-I639 HydrophobicContact CG-CG1 4.42Å; E637-I639 WeakPolarHBondContact OE1-CD1 3.34Å
638P35.4Very low34.7Very low127 Ų127141.6 Ų141.683%0.82579%0.794SS**  trans-134.495.6131.331.5-18.1000109.6
639I35.5Very low34.6Very low121 Ų121141.4 Ų141.462%0.62179%0.793SS**  trans-86.9117.7155.6-64.3178.3000106.2E637 V641E637-I639 HydrophobicContact CG-CG1 4.42Å; E637-I639 WeakPolarHBondContact OE1-CD1 3.34Å; I639-V641 HydrophobicContact CG2-CG2 4.33Å; I639-V641 PolarHBondContact O-N 3.17Å
640T33.6Very low34.6Very low135 Ų135140.6 Ų140.683%0.82880%0.796SS**  trans-71.8107.5177.68.20000108.1
641V37.1Very low34.5Very low107 Ų107141.3 Ų141.365%0.64880%0.801SS**  trans-111.4110.8165.1-1720000106.4I639 D643I639-V641 HydrophobicContact CG2-CG2 4.33Å; I639-V641 PolarHBondContact O-N 3.17Å; V641-D643 PolarHBondContact O-N 3.42Å
642E32.7Very low34.1Very low188 Ų188137.1 Ų137.188%0.87979%0.793SS**  trans-77.797.9170.2-63.5-167.1166.600107.7
643D39Very low34.1Very low136 Ų136137.8 Ų137.873%0.72779%0.792SS**  trans-116.6116.6166-86.9-25.6000110V641V641-D643 PolarHBondContact O-N 3.42Å
644E34.6Very low33.9Very low187 Ų187140.2 Ų140.287%0.87479%0.792SS**  trans46.198.2146.2-102.4174.7163.900118.2G646E644-G646 PolarHBondContact O-N 3.23Å
645C35.1Very low33.8Very low134 Ų134140.2 Ų140.291%0.90580%0.798SS**  trans-60.895.4163.2-64.10000111.1E647C645-E647 PolarHBondContact O-N 3.44Å
646G35.4Very low34.2Very low73 Ų73142 Ų14275%0.75380%0.795SS**  trans-66.4113.6161.400000110.6E644 M648E644-G646 PolarHBondContact O-N 3.23Å; G646-M648 PolarHBondContact O-N 3.31Å; G646-M648 VanDerWaalsContact O-N 3.14Å
647E31.5Very low34.5Very low196 Ų196143.6 Ų143.692%0.91680%0.798SS**  trans-56107.7171.2-63.9178.4151.100110.8C645C645-E647 PolarHBondContact O-N 3.44Å
648M36.9Very low34.4Very low185 Ų185145.1 Ų145.191%0.91181%0.808SS**  trans-114.8121.6159.8-88.5-179.570.600110G646G646-M648 PolarHBondContact O-N 3.31Å; G646-M648 VanDerWaalsContact O-N 3.14Å
649L33.1Very low34.5Very low164 Ų164148.5 Ų148.586%0.85981%0.81SS**PPolyproline II helixtrans-58158.6-173.1-74.5163.2000114.5
650P36Very low34.3Very low122 Ų122146.3 Ų146.379%0.79282%0.818SS**PPolyproline II helixtrans-84.2129.7-162.632.9-33000112.1
651S34.9Very low34.3Very low120 Ų120145.1 Ų145.184%0.83982%0.815SS**PPolyproline II helixtrans-94122.5160.862.30000109.1
652G27.2Very low34.1Very low61 Ų61147.5 Ų147.563%0.62982%0.822SS**  trans-76-174.7-173.900000114.8
653N32.8Very low34.3Very low153 Ų153146 Ų14682%0.81882%0.82SS**  trans91.595.9172.1-50.5-26.8000114.5
654Q36.4Very low34Very low174 Ų174146.4 Ų146.481%0.81382%0.817SS**  -170.2110.8102.1-98.5-179.161.700111.7K656Q654-K656 PolarHBondContact O-N 3.46Å
655T29.7Very low34Very low144 Ų144144.4 Ų144.488%0.88381%0.812SS**  trans-63.2111.2168-39.50000109.9
656K40.1Very low33.9Very low172 Ų172144.9 Ų144.975%0.74881%0.805SS**  trans-140.8114.6158.1-79.3-167.9179.1173.50111.8Q654Q654-K656 PolarHBondContact O-N 3.46Å
657E36Very low34Very low180 Ų180150 Ų15084%0.84181%0.808SS**  trans62.696.5146.9-68.2-175.9135.600119.6K659E657-K659 PolarHBondContact O-N 3.42Å
658I29.1Very low34Very low169 Ų169150 Ų15087%0.86781%0.807SS**  trans-69.6113.3155.7-60161.2000108.5
659K38.8Very low33.8Very low197 Ų197149.7 Ų149.786%0.85780%0.801SS**  trans-135.4116150.1-87-172.4-179.9171.30109.2E657E657-K659 PolarHBondContact O-N 3.42Å
660G29.4Very low34Very low76 Ų76148.3 Ų148.378%0.78480%0.799SS**  trans-63.1139.8-171.500000113.8
661S34.8Very low34Very low110 Ų110148.6 Ų148.677%0.76980%0.799SS**  trans-121115.7146.257.90000106.7L663S661-L663 PolarHBondContact O-N 3.21Å
662I33.7Very low34Very low156 Ų156150.8 Ų150.880%0.880%0.798SS**  trans-77.6101.1174.7-65.6161000105
663L36.6Very low34.3Very low158 Ų158156.2 Ų156.283%0.82781%0.806SS**  trans-119.7105161.4-76.8174.8000107.4S661 D665S661-L663 PolarHBondContact O-N 3.21Å; L663-D665 PolarHBondContact O-N 2.92Å
664H31.4Very low34.4Very low144 Ų144155.8 Ų155.867%0.66780%0.804SS**  trans-49.4115.5160.6-92.9-92.1000109.3D666H664-D666 IonicContact ND1-OD1 3.69Å
665D34.9Very low34.1Very low144 Ų144156.1 Ų156.177%0.7781%0.806SS**  trans-134105.4145.2-91.6-33.3000106.5L663 F667L663-D665 PolarHBondContact O-N 2.92Å; D665-F667 VanDerWaalsContact C-N 3.33Å; D665-F667 PolarHBondContact O-N 3.01Å
666D33.8Very low34.5Very low144 Ų144154.6 Ų154.677%0.7780%0.798SS**  trans-63.289.3178.1-65.7-39.7000109.2H664 E668H664-D666 IonicContact ND1-OD1 3.69Å; D666-E668 PolarHBondContact O-N 3.22Å; D666-E668 VanDerWaalsContact O-N 3.16Å
667F36.6Very low33.9Very low182 Ų182152.7 Ų152.780%0.79881%0.805SS**  trans-75.898.5167.5-100.2-89.5000109.4D665 K669D665-F667 VanDerWaalsContact C-N 3.33Å; D665-F667 PolarHBondContact O-N 3.01Å; F667-K669 PolarHBondContact O-N 3.16Å
668E32.9Very low33.7Very low194 Ų194153.4 Ų153.491%0.90781%0.806SS**  trans-53.196.3157.1-81.2-178.3136.300110D666D666-E668 PolarHBondContact O-N 3.22Å; D666-E668 VanDerWaalsContact O-N 3.16Å
669K31.9Very low33.8Very low180 Ų180151 Ų15178%0.78380%0.802SS**  trans-141.693.2162-96.9-172.8177.8178.80108.9F667F667-K669 PolarHBondContact O-N 3.16Å
670T37Very low33.3Very low135 Ų135149.7 Ų149.783%0.82880%0.804SS**  trans-155.574.6153.937.90000109.8
671T35.2Very low33.5Very low127 Ų127151.4 Ų151.478%0.77980%0.804SS**  trans-94.577.5155.952.10000107.7H673T671-H673 PolarHBondContact O-N 2.85Å
672M35.5Very low33.3Very low166 Ų166153.8 Ų153.882%0.81881%0.806SS**  trans-82108164.5-77.2-67.9-175.100107.3D674M672-D674 PolarHBondContact O-N 2.89Å; M672-D674 VanDerWaalsContact O-N 3.09Å
673H33.6Very low33.4Very low175 Ų175151.5 Ų151.581%0.8180%0.804SS**  trans-70.788.7172.7-78.5-84.1000109.5T671T671-H673 PolarHBondContact O-N 2.85Å
674D34.1Very low33Very low145 Ų145152.7 Ų152.778%0.77580%0.803SS**  trans-13684.4164.6-81.6-39.7000108.7M672M672-D674 PolarHBondContact O-N 2.89Å; M672-D674 VanDerWaalsContact O-N 3.09Å
675E30.5Very low33.3Very low181 Ų181151 Ų15185%0.84681%0.807SS**  trans-129.7102.1158.4-129.7-177.1-179.900110.9
676P39.5Very low33Very low111 Ų111150.4 Ų150.472%0.72180%0.804SS**  trans-75147.8174.328.1-31.2000111.9K678P676-K678 PolarHBondContact O-N 2.84Å; P676-K678 VanDerWaalsContact O-N 3.11Å
677C27.7Very low32.9Very low133 Ų133151.2 Ų151.290%0.89981%0.808SS**  trans-36.2106.5175.3-69.90000114.2
678K31.8Very low32.5Very low195 Ų195148.5 Ų148.585%0.84881%0.806SS**  trans-98.4121.3162.9-82.8178-179167.20110.4P676P676-K678 PolarHBondContact O-N 2.84Å; P676-K678 VanDerWaalsContact O-N 3.11Å
679C29.8Very low32.6Very low118 Ų118148.3 Ų148.380%0.79781%0.806SS**  trans-64145-177.3-68.70000112.8S681C679-S681 PolarHBondContact O-N 2.85Å
680L29.3Very low32.5Very low170 Ų170148.3 Ų148.389%0.8981%0.808SS**  trans-45.7118.1168.7-71.9149.1000111.7
681S32.9Very low32.3Very low112 Ų112149.5 Ų149.578%0.78381%0.809SS**  trans-116.2102.4162.2-65.40000108.7C679 S683C679-S681 PolarHBondContact O-N 2.85Å; S681-S683 PolarHBondContact O-N 2.87Å
682I31.2Very low32.3Very low160 Ų160149.2 Ų149.282%0.82181%0.809SS**  trans-68107172.2-62.5157.6000107
683S34.6Very low32Very low107 Ų107148.7 Ų148.775%0.74880%0.804SS**  trans-113.8104.516546.50000109.1S681 S685S681-S683 PolarHBondContact O-N 2.87Å; S683-S685 PolarHBondContact O-N 2.99Å
684K30Very low31.8Very low184 Ų184146.3 Ų146.380%0.881%0.808SS**  trans-61.2108.6161.8-91171.9168171.60107.8
685S35.7Very low31.5Very low107 Ų107148.3 Ų148.375%0.74881%0.81SS**  trans-99.1107.2159.355.30000108.8S683 N687S683-S685 PolarHBondContact O-N 2.99Å; S685-N687 PolarHBondContact O-N 3.35Å
686N29.2Very low31.6Very low132 Ų132145.1 Ų145.171%0.70681%0.807SS**  trans-79.8102.1168.3-63.6-36.5000107.2
687N32Very low31.2Very low162 Ų162145.1 Ų145.187%0.86681%0.81SS**  trans-107.1102.1161.3-87.2-7000109.3S685 E689S685-N687 PolarHBondContact O-N 3.35Å; N687-E689 PolarHBondContact O-N 3.1Å
688T28.4Very low31.1Very low124 Ų124143.6 Ų143.676%0.76180%0.801SS**  trans-68.5109.3170.9-44.70000108.9
689E35.2Very low31.1Very low191 Ų191140 Ų14089%0.89380%0.795SS**  trans-111.6135.3156.4-85.8-173.1168.200109.4N687N687-E689 PolarHBondContact O-N 3.1Å
690Q30.2Very low31.1Very low179 Ų179143.2 Ų143.284%0.83680%0.796SS**PPolyproline II helixtrans-77.9139.4-152.1-67.7169.3-10.500113.2
691L31.3Very low31Very low160 Ų160141.4 Ų141.484%0.83879%0.786SS**PPolyproline II helixtrans-73.1137.3159.8-101.495.6000110.5
692P36.8Very low30.7Very low121 Ų121142.5 Ų142.579%0.78678%0.782SS**PPolyproline II helixtrans-84.1131.2156.229.2-27.3000111.4
693H27.5Very low30.6Very low155 Ų155141.6 Ų141.672%0.71878%0.784SS**PPolyproline II helixtrans-61.9143.9177.7-77.2-88.8000114.3
694S30.5Very low30.5Very low126 Ų126144.2 Ų144.288%0.88179%0.785SS**  trans-155.1124141.9-800000110.4
695F28.1Very low30.5Very low187 Ų187141.9 Ų141.982%0.8278%0.781SS**  trans-77.6146.6-177.4-73-101.6000111.7
696S31.2Very low30.2Very low113 Ų113144.8 Ų144.879%0.7979%0.788SS**  -175.8140.7127.5-161.80000113.2
697S31.3Very low30.5Very low111 Ų111145.5 Ų145.578%0.77679%0.791SS**  trans66.397.716463.30000120.4
698S26.7Very low30.5Very low102 Ų102142.7 Ų142.771%0.71378%0.784SS**  trans-55.1147.1152.954.30000114.9
699T31Very low30.5Very low119 Ų119147.9 Ų147.973%0.7379%0.792SS**  178127.3105.6230000112.2
700K29.6Very low30.2Very low185 Ų185144.8 Ų144.880%0.80479%0.786SS**  trans43.3138.8131.8-60.4-175.3175.7179.50118.5
701L27.4Very low30.3Very low133 Ų133143.2 Ų143.270%0.69678%0.783SS**  cis-173.1131.39.6-138.895.9000105.9
702I27.8Very low30.4Very low134 Ų134143.3 Ų143.369%0.68778%0.779SS**  trans48.1110.3135.5-52170.3000120
703T29.1Very low30.2Very low142 Ų142145.6 Ų145.687%0.87179%0.785SS**  trans-141.399.2139.520.50000106.7
704Q30.8Very low30.6Very low162 Ų162145.2 Ų145.276%0.75779%0.787SS**  40.9123101.5-78.2-161.4-7.900117.2
705N29.9Very low30.6Very low134 Ų134145 Ų14572%0.71779%0.786SS**  trans83.991.9150.6-65.4-9000120L707N705-L707 PolarHBondContact O-N 3.18Å
706N30.4Very low30.7Very low168 Ų168140.8 Ų140.890%0.89878%0.779SS**  trans-28.1109.2144.5-61.9-29.7000113.9
707L36.2Very low30.5Very low147 Ų147140.9 Ų140.977%0.7778%0.779SS**  trans-130122.6152.2-94104.8000109.7N705N705-L707 PolarHBondContact O-N 3.18Å
708S31.1Very low30.3Very low104 Ų104142.2 Ų142.273%0.72778%0.778SS**  trans47.189.4132.9-39.70000117.2T710S708-T710 PolarHBondContact O-N 3.37Å
709Y29.2Very low30.7Very low233 Ų233143.1 Ų143.191%0.91478%0.781SS**  trans-77.991.6174.9-133-92.1000110.6
710T29.1Very low30.7Very low125 Ų125143.5 Ų143.577%0.76778%0.783SS**  trans-140.287.615550.60000107.1S708S708-T710 PolarHBondContact O-N 3.37Å
711D30.9Very low30.8Very low146 Ų146141.1 Ų141.178%0.78178%0.778SS**  trans-145.5127154-98.7-30.4000110.8
712E34.5Very low31Very low162 Ų162140.5 Ų140.576%0.75778%0.779SS**  trans-22.4123.8165.4-58.6-178.4161.900113.3L714E712-L714 PolarHBondContact O-N 3.2Å
713N31.2Very low31.2Very low170 Ų170140 Ų14091%0.90978%0.778SS**  trans-58.986.7158.7-83.5-42.2000108.5S715N713-S715 VanDerWaalsContact C-N 3.25Å; N713-S715 PolarHBondContact O-N 3.04Å
714L35.9Very low31.3Very low146 Ų146138 Ų13876%0.76477%0.77SS**  trans-57.893.5157.9-77.8158.1000107.2E712 S716E712-L714 PolarHBondContact O-N 3.2Å; L714-S716 PolarHBondContact O-N 3.24Å
715S31.2Very low31.4Very low121 Ų121138.1 Ų138.185%0.84677%0.768SS**  trans-61.583156.6178.40000107.8N713N713-S715 VanDerWaalsContact C-N 3.25Å; N713-S715 PolarHBondContact O-N 3.04Å
716S29.3Very low31.7Very low99 Ų99136.9 Ų136.969%0.69277%0.767SS**  trans-95.498.9168.260.80000107.9L714L714-S716 PolarHBondContact O-N 3.24Å
717C27.5Very low31.7Very low116 Ų116136.3 Ų136.378%0.78476%0.763SS**  trans-157.8121.8156.4-97.40000111
718N28.5Very low31.7Very low139 Ų139137.9 Ų137.974%0.74376%0.763SS**  trans76.592.3164-64.8-24.5000118V720N718-V720 PolarHBondContact O-N 2.98Å
719P34.4Very low32Very low121 Ų121137 Ų13779%0.78676%0.757SS**  trans-54106.214726.2-34.1000108.2I721P719-I721 PolarHBondContact O-N 2.86Å
720V30.7Very low32.3Very low126 Ų126132.5 Ų132.576%0.76475%0.747SS**  trans-58.8109.8161.3171.30000105.4N718 T722N718-V720 PolarHBondContact O-N 2.98Å; V720-T722 VanDerWaalsContact C-N 3.29Å; V720-T722 PolarHBondContact O-N 2.81Å
721I32.9Very low32.6Very low136 Ų136133.4 Ų133.470%0.69775%0.747SS**  trans-44.799.2169.3-62.1165.7000106.2P719 N723P719-I721 PolarHBondContact O-N 2.86Å; I721-N723 PolarHBondContact O-N 2.7Å
722T30.9Very low32.8Very low120 Ų120134.9 Ų134.974%0.73675%0.746SS**  trans-64.2101.7158.843.20000103.4V720 S724V720-T722 VanDerWaalsContact C-N 3.29Å; V720-T722 PolarHBondContact O-N 2.81Å; T722-S724 PolarHBondContact O-N 3.38Å
723N31.9Very low32.7Very low122 Ų122137.9 Ų137.965%0.65275%0.751SS**  trans-5880.5157-85.4-28.5000106.2I721 F725I721-N723 PolarHBondContact O-N 2.7Å; N723-F725 HydrophobicContact CB-CD2 3.96Å; N723-F725 HydrophobicContact CB-CE2 3.87Å; N723-F725 PolarHBondContact O-N 2.82Å
724S30.3Very low32.9Very low100 Ų100135.3 Ų135.370%0.69974%0.744SS**  trans-65.978.6157.549.40000104.9T722 P726T722-S724 PolarHBondContact O-N 3.38Å; S724-P726 WeakPolarHBondContact O-CD 3.47Å
725F32.6Very low32.8Very low166 Ų166137.7 Ų137.773%0.72875%0.748SS**  trans-64.9114.6153.6-77.3-77.3000105N723 I727N723-F725 HydrophobicContact CB-CD2 3.96Å; N723-F725 HydrophobicContact CB-CE2 3.87Å; N723-F725 PolarHBondContact O-N 2.82Å; F725-I727 PolarHBondContact O-N 3.32Å
726P36.4Very low32.9Very low108 Ų108136.6 Ų136.670%0.70174%0.74SS**  trans-61107.1172.224.5-31.1000106.2S724 K728S724-P726 WeakPolarHBondContact O-CD 3.47Å; P726-K728 PolarHBondContact O-N 2.63Å
727I31.9Very low33.1Very low155 Ų155141.6 Ų141.680%0.79575%0.75SS**  trans-62.296.3161.2-61.7174.6000103.4F725 S729F725-I727 PolarHBondContact O-N 3.32Å; I727-S729 PolarHBondContact O-N 3.01Å
728K36.2Very low33.4Very low180 Ų180142.2 Ų142.278%0.78375%0.75SS**  trans-56.492.4160.3-72.8-179.8179178.50104.4P726 I730P726-K728 PolarHBondContact O-N 2.63Å; K728-I730 PolarHBondContact O-N 3.2Å
729S36.5Very low33.7Very low87 Ų87144.4 Ų144.461%0.60875%0.752SS**  trans-64.993.5164.961.60000104.4I727 L731I727-S729 PolarHBondContact O-N 3.01Å; S729-L731 PolarHBondContact O-N 2.97Å
730I35.5Very low33.7Very low137 Ų137143.9 Ų143.970%0.70375%0.749SS**  trans-70.169.1160.3-53.3170.8000104.1K728 K732K728-I730 PolarHBondContact O-N 3.2Å; I730-K732 HydrophobicContact CG2-CG 3.9Å; I730-K732 PolarHBondContact O-N 3.2Å
731L36.1Very low33.6Very low144 Ų144146.4 Ų146.475%0.75475%0.753SS**  trans-63.986.4154.7-101.5131.3000103.8S729 R733S729-L731 PolarHBondContact O-N 2.97Å; L731-R733 PolarHBondContact O-N 3.18Å
732K35.7Very low33.5Very low177 Ų177146.1 Ų146.177%0.7776%0.757SS**  trans-51.6102.6160.5-74-174.7177.7176.30104.5I730 P734I730-K732 HydrophobicContact CG2-CG 3.9Å; I730-K732 PolarHBondContact O-N 3.2Å; K732-P734 VanDerWaalsContact O-CD 3.26Å; K732-P734 WeakPolarHBondContact O-CD 3.44Å
733R30.9Very low33.5Very low225 Ų225147 Ų14785%0.84976%0.757SS**PPolyproline II helixtrans-49.1118.3167.9-81.7-179.8177147.5-1.4105.7L731 K735L731-R733 PolarHBondContact O-N 3.18Å; R733-K735 PolarHBondContact O-N 3.4Å; R733-K735 VanDerWaalsContact O-N 3.12Å
734P35.1Very low33.4Very low117 Ų117146.4 Ų146.476%0.7676%0.763SS**PPolyproline II helixtrans-54.9125.1166.219.1-24.9000105.9K732 S736K732-P734 VanDerWaalsContact O-CD 3.26Å; K732-P734 WeakPolarHBondContact O-CD 3.44Å; P734-S736 PolarHBondContact O-N 3.36Å
735K35.1Very low33.4Very low195 Ų195151.3 Ų151.385%0.84877%0.772SS**PPolyproline II helixtrans-46.3120.8175.9-75.8178.7173.8-179.10106.9R733 F737R733-K735 PolarHBondContact O-N 3.4Å; R733-K735 VanDerWaalsContact O-N 3.12Å; K735-F737 PolarHBondContact O-N 3.49Å
736S33.3Very low33.4Very low99 Ų99147.4 Ų147.469%0.69277%0.771SS**PPolyproline II helixtrans-51.1118.9168.954.50000106.8P734 V738P734-S736 PolarHBondContact O-N 3.36Å; S736-V738 VanDerWaalsContact C-N 3.32Å; S736-V738 PolarHBondContact O-N 3.11Å
737F32.8Very low33.1Very low203 Ų203147.3 Ų147.389%0.8977%0.773SS**  trans-59.8104.8166.7-77.5-89.7000106.3K735 K739K735-F737 PolarHBondContact O-N 3.49Å; F737-K739 PolarHBondContact O-N 3.04Å
738V33.2Very low33Very low129 Ų129147 Ų14778%0.78277%0.773SS**  trans-59108.9163.6176.40000104.4S736S736-V738 VanDerWaalsContact C-N 3.32Å; S736-V738 PolarHBondContact O-N 3.11Å
739K36.2Very low32.7Very low185 Ų185147.8 Ų147.880%0.80478%0.776SS**  trans-53.3128.9168.2-99.1177.7173.1178.20106.6F737 Q741F737-K739 PolarHBondContact O-N 3.04Å; K739-Q741 PolarHBondContact O-N 3.16Å
740P34.6Very low32.3Very low111 Ų111149.3 Ų149.372%0.72178%0.782SS**  trans-55.7118.6170.921.8-29.4000107.6T742P740-T742 VanDerWaalsContact C-N 3.31Å; P740-T742 PolarHBondContact O-N 3Å
741Q27.9Very low32.1Very low178 Ų178147.6 Ų147.683%0.83278%0.782SS**  trans-68.297.7170.4-152.5175.410.300104.7K739 D743K739-Q741 PolarHBondContact O-N 3.16Å; Q741-D743 PolarHBondContact O-N 3.45Å
742T31.2Very low31.7Very low130 Ų130147.8 Ų147.880%0.79878%0.784SS**  trans-70.6102.7173.3-45.90000106.3P740 S744P740-T742 VanDerWaalsContact C-N 3.31Å; P740-T742 PolarHBondContact O-N 3Å; T742-S744 PolarHBondContact O-N 3.47Å
743D31.4Very low31.4Very low138 Ų138145.6 Ų145.674%0.73879%0.785SS**  trans-57.3105.6171.5-77.6-31.7000108.7Q741 K745Q741-D743 PolarHBondContact O-N 3.45Å; D743-K745 VanDerWaalsContact C-N 3.26Å; D743-K745 PolarHBondContact O-N 3.49Å
744S29.5Very low31.2Very low111 Ų111140.7 Ų140.778%0.77678%0.78SS**  trans-67.783.8171.857.80000109.1T742 A746T742-S744 PolarHBondContact O-N 3.47Å; S744-A746 PolarHBondContact O-N 3.34Å; S744-A746 VanDerWaalsContact O-N 3.11Å
745K29.9Very low30.8Very low202 Ų202141.4 Ų141.488%0.87878%0.782SS**  trans-78.583.2155.3-82.2-169.9177.1-178.90108.1D743 S747D743-K745 VanDerWaalsContact C-N 3.26Å; D743-K745 PolarHBondContact O-N 3.49Å; K745-S747 PolarHBondContact O-N 3.15Å
746A31.4Very low30.6Very low85 Ų85139.5 Ų139.570%0.70278%0.781SS**  trans-63.396.1162.800000108.3S744 N748S744-A746 PolarHBondContact O-N 3.34Å; S744-A746 VanDerWaalsContact O-N 3.11Å; A746-N748 PolarHBondContact O-N 3.01Å
747S30.2Very low30.4Very low106 Ų106138.8 Ų138.874%0.74178%0.781SS**  trans-84.298.516576.90000107.9K745 K749K745-S747 PolarHBondContact O-N 3.15Å; S747-K749 PolarHBondContact O-N 2.9Å
748N31.1Very low30.3Very low149 Ų149137.5 Ų137.580%0.79778%0.778SS**  trans-60.398.1167.6-71-23.4000108.6A746A746-N748 PolarHBondContact O-N 3.01Å
749K28.4Very low30.1Very low195 Ų195138.5 Ų138.585%0.84878%0.784SS**  trans-99.388.4165.8-133.2179-174.9-177.70107.3S747 S751S747-K749 PolarHBondContact O-N 2.9Å; K749-S751 VanDerWaalsContact C-N 3.31Å; K749-S751 PolarHBondContact O-N 3.13Å
750T29.9Very low29.6Very low119 Ų119132.7 Ų132.773%0.7378%0.777SS**  trans-62.390.9169.4-40.70000108N752T750-N752 PolarHBondContact O-N 3.38Å
751S30.3Very low29.1Very low101 Ų101133.4 Ų133.471%0.70678%0.783SS**  trans-86.3100169.647.70000108.5K749 V753K749-S751 VanDerWaalsContact C-N 3.31Å; K749-S751 PolarHBondContact O-N 3.13Å; S751-V753 PolarHBondContact O-N 3.14Å
752N27.8Very low29.1Very low149 Ų149130 Ų13080%0.79777%0.774SS**  trans-53.5116.2160.9-66.8-27.9000108.5T750T750-N752 PolarHBondContact O-N 3.38Å
753V29.8Very low28.9Very low130 Ų130131 Ų13179%0.78877%0.773SS**  trans-125.4118.6162.9179.70000108S751S751-V753 PolarHBondContact O-N 3.14Å
754T26.3Very low28.8Very low122 Ų122133.3 Ų133.375%0.74877%0.773SS**  trans-68.9140.4-173-26.30000111.1N756T754-N756 PolarHBondContact O-N 2.86Å
755V27Very low28.7Very low133 Ų133134.1 Ų134.181%0.80677%0.769SS**  trans-75.4105.8179.5-174.40000108.6A757V755-A757 PolarHBondContact O-N 3.16Å
756N30.9Very low28.6Very low155 Ų155129.3 Ų129.383%0.82976%0.756SS**  trans-87.2105.5164.3-78.6-3.6000108T754 E758T754-N756 PolarHBondContact O-N 2.86Å; N756-E758 PolarHBondContact O-N 2.97Å
757A28.5Very low28.5Very low83 Ų83132 Ų13269%0.68676%0.759SS**  trans-66.5122165.900000108.5V755V755-A757 PolarHBondContact O-N 3.16Å
758E30.1Very low28.3Very low177 Ų177135.4 Ų135.483%0.82776%0.763SS**SBendtrans151.4104.2150.8-84.9168.2-173.500108.5N756N756-E758 PolarHBondContact O-N 2.97Å
759T29.7Very low28.3Very low149 Ų149134.4 Ų134.491%0.91476%0.763SS**SBendtrans49.978.3154.444.30000116.7
760G26.5Very low28.2Very low63 Ų63127.7 Ų127.765%0.64975%0.749SS**  trans-168.7101.1167.700000110.3T762G760-T762 PolarHBondContact O-N 3.42Å
761C22.9Very low28.1Very low126 Ų126128.7 Ų128.785%0.85175%0.749SS**  trans-46.9101.1174.5-1580000109.5I763C761-I763 VanDerWaalsContact C-N 3.31Å; C761-I763 PolarHBondContact O-N 2.9Å
762T28.8Very low28Very low106 Ų106129.3 Ų129.365%0.6575%0.748SS**  trans-62.7101.2167.814.30000106.2G760 Y764G760-T762 PolarHBondContact O-N 3.42Å; T762-Y764 WeakPolarHBondContact O-CD2 3.42Å; T762-Y764 PolarHBondContact O-N 3.24Å
763I26.4Very low28.1Very low152 Ų152130.7 Ų130.778%0.77975%0.748SS**  trans-58.498.1163.7-62.2171.9000104.7C761 N765C761-I763 VanDerWaalsContact C-N 3.31Å; C761-I763 PolarHBondContact O-N 2.9Å; I763-N765 PolarHBondContact O-N 2.83Å
764Y29.2Very low28Very low187 Ų187134 Ų13473%0.73375%0.748SS**  trans-59.496166.2-76.8-84.7000106.1T762 T766T762-Y764 WeakPolarHBondContact O-CD2 3.42Å; T762-Y764 PolarHBondContact O-N 3.24Å; Y764-T766 PolarHBondContact O-N 3.46Å; Y764-T766 PolarHBondContact O-OG1 3.41Å
765N26.8Very low28.1Very low127 Ų127134.6 Ų134.668%0.67975%0.746SS**  trans-72.572.2165.3-156.2-3.4000106.5I763 N767I763-N765 PolarHBondContact O-N 2.83Å; N765-N767 PolarHBondContact O-N 3.26Å; N765-N767 PolarHBondContact OD1-ND2 3.44Å
766T29.4Very low28.2Very low101 Ų101133.8 Ų133.862%0.6274%0.742SS**  trans-72.563.8173.338.20000109.4Y764 Q768Y764-T766 PolarHBondContact O-N 3.46Å; Y764-T766 PolarHBondContact O-OG1 3.41Å; T766-Q768 PolarHBondContact O-N 3.24Å
767N27.4Very low28.1Very low142 Ų142132.6 Ų132.676%0.75974%0.735SS**  trans-85.233.4161.1-74.9-24.9000110.8N765N765-N767 PolarHBondContact O-N 3.26Å; N765-N767 PolarHBondContact OD1-ND2 3.44Å
768Q26.8Very low28.2Very low178 Ų178135.7 Ų135.783%0.83274%0.74SS**  trans-14448.3178.4-134.2177.729.300111T766 G770T766-Q768 PolarHBondContact O-N 3.24Å; Q768-G770 PolarHBondContact O-N 2.89Å
769T31.4Very low28Very low128 Ų128136.5 Ų136.579%0.78574%0.744SS**  trans-74.868.3143.844.80000107.4L771T769-L771 PolarHBondContact O-N 2.98Å; T769-L771 VanDerWaalsContact O-N 3.15Å
770G25.7Very low28.1Very low54 Ų54137.5 Ų137.556%0.55774%0.739SS**  trans-51.9122.315700000106.1Q768 T772Q768-G770 PolarHBondContact O-N 2.89Å; G770-T772 PolarHBondContact O-N 3.09Å
771L28Very low28.2Very low139 Ų139141.5 Ų141.573%0.72875%0.751SS**  trans-48.8106.7171-87.296.1000107.6T769 F773T769-L771 PolarHBondContact O-N 2.98Å; T769-L771 VanDerWaalsContact O-N 3.15Å; L771-F773 HydrophobicContact CB-CD2 4.43Å; L771-F773 HydrophobicContact CB-CE2 4.13Å; L771-F773 HydrophobicContact CB-CZ 4.41Å; L771-F773 WeakPolarHBondContact O-CD2 3.37Å; L771-F773 PolarHBondContact O-N 2.69Å
772T28Very low28.5Very low114 Ų114139.6 Ų139.670%0.69974%0.738SS**  trans-6394.5157.76.70000105.2G770 Y774G770-T772 PolarHBondContact O-N 3.09Å; T772-Y774 PolarHBondContact O-N 3Å
773F30.6Very low28.5Very low178 Ų178139.5 Ų139.578%0.78174%0.742SS**  trans-60.399.8160.8-68.2-84.4000105.6L771 N775L771-F773 HydrophobicContact CB-CD2 4.43Å; L771-F773 HydrophobicContact CB-CE2 4.13Å; L771-F773 HydrophobicContact CB-CZ 4.41Å; L771-F773 WeakPolarHBondContact O-CD2 3.37Å; L771-F773 PolarHBondContact O-N 2.69Å; F773-N775 VanDerWaalsContact C-N 3.35Å; F773-N775 PolarHBondContact O-N 3.36Å
774Y27.8Very low28.6Very low200 Ų200138.9 Ų138.978%0.78474%0.739SS**  trans-55.2110.7162.5-77.2-84.2000106.2T772 T776T772-Y774 PolarHBondContact O-N 3Å; Y774-T776 PolarHBondContact O-N 3.45Å; Y774-T776 PolarHBondContact O-OG1 3.19Å
775N27.4Very low28.7Very low134 Ų134140.2 Ų140.272%0.71774%0.743SS**  trans-71.572.3175.2-161.914.2000107F773 N777F773-N775 VanDerWaalsContact C-N 3.35Å; F773-N775 PolarHBondContact O-N 3.36Å; N775-N777 VanDerWaalsContact C-N 3.27Å; N775-N777 PolarHBondContact O-N 3.13Å
776T30.8Very low29.1Very low117 Ų117139.8 Ų139.872%0.71875%0.747SS**  trans-74.291.4169.318.20000107.3Y774 N778Y774-T776 PolarHBondContact O-N 3.45Å; Y774-T776 PolarHBondContact O-OG1 3.19Å; T776-N778 PolarHBondContact O-N 3.07Å
777N28.8Very low29Very low129 Ų129143.3 Ų143.369%0.6975%0.754SS**  trans-60.959.7166.9-78.8-31.1000111.9N775N775-N777 VanDerWaalsContact C-N 3.27Å; N775-N777 PolarHBondContact O-N 3.13Å
778N28.7Very low29.2Very low148 Ų148141.4 Ų141.479%0.79175%0.752SS**  trans-109.588.2163.7-76-5.2000107.8T776 E780T776-N778 PolarHBondContact O-N 3.07Å; N778-E780 VanDerWaalsContact C-N 3.28Å; N778-E780 PolarHBondContact O-N 3.05Å
779Q26.8Very low29.3Very low195 Ų195136.6 Ų136.691%0.91174%0.742SS**  trans-55.291.8159.7-74.3179-14.800109.3
780E32Very low29.3Very low170 Ų170138 Ų13879%0.79475%0.745SS**  trans-129.994.7149-75.3-168.5171.100107.5N778 S782N778-E780 VanDerWaalsContact C-N 3.28Å; N778-E780 PolarHBondContact O-N 3.05Å; E780-S782 PolarHBondContact O-N 3.41Å
781T28.5Very low29.6Very low147 Ų147138.8 Ų138.890%0.90274%0.742SS**  trans-63.467165.249.80000109.4S783T781-S783 PolarHBondContact O-N 2.83Å
782S28.8Very low29.6Very low85 Ų85143.3 Ų143.359%0.59475%0.75SS**  trans-79.598.8161.857.40000106.5E780 I784E780-S782 PolarHBondContact O-N 3.41Å; S782-I784 VanDerWaalsContact C-N 3.27Å; S782-I784 PolarHBondContact O-N 3.12Å
783S28.9Very low29.7Very low105 Ų105147.9 Ų147.973%0.73476%0.759SS**  trans-52.795.3163.4141.50000107.7T781 R785T781-S783 PolarHBondContact O-N 2.83Å; S783-R785 VanDerWaalsContact C-N 3.29Å; S783-R785 PolarHBondContact O-N 3.24Å
784I28.8Very low29.8Very low138 Ų138143.8 Ų143.871%0.70875%0.753SS**  trans-67.595.7171.2-62.6170.6000106.3S782S782-I784 VanDerWaalsContact C-N 3.27Å; S782-I784 PolarHBondContact O-N 3.12Å
785R31.3Very low29.9Very low216 Ų216142.7 Ų142.782%0.81576%0.755SS**PPolyproline II helixtrans-66.3130.6171.7-141.2-179.1-136.4-151.55.1107S783 F787S783-R785 VanDerWaalsContact C-N 3.29Å; S783-R785 PolarHBondContact O-N 3.24Å; R785-F787 PolarHBondContact O-N 3.14Å
786P34Very low30Very low117 Ų117143.5 Ų143.576%0.7676%0.758SS**PPolyproline II helixtrans-57.9125.817621-30.4000109.7S788P786-S788 PolarHBondContact O-N 2.84Å
787F27.5Very low30.1Very low176 Ų176142.8 Ų142.877%0.77276%0.755SS**PPolyproline II helixtrans-46.2121.6-174-66.1-93.2000112.8R785R785-F787 PolarHBondContact O-N 3.14Å
788S32.1Very low30.1Very low102 Ų102144 Ų14471%0.71376%0.762SS**PPolyproline II helixtrans-78.4137.3166.4580000110P786 N790P786-S788 PolarHBondContact O-N 2.84Å; S788-N790 PolarHBondContact O-N 3.18Å
789A29.6Very low30.1Very low77 Ų77142.5 Ų142.564%0.63676%0.758SS**THydrogen-bonded Turntrans-61.620.5-163.500000119.4W792A789-W792 PolarHBondContact O-NE1 3.22Å
790N31.3Very low30.1Very low157 Ų157138.3 Ų138.384%0.8475%0.745SS**THydrogen-bonded Turntrans-114.711.5-172-78.41.7000116.1S788S788-N790 PolarHBondContact O-N 3.18Å
791S30.9Very low30Very low70 Ų70134.8 Ų134.849%0.4974%0.739SS.*  trans-109.657.5-177.360.70000113.4
792W27.9Very low29.9Very low235 Ų235134.3 Ų134.389%0.8973%0.731SS**SBendtrans-84.8-0.1168.5-43-20.8000112.4A789A789-W792 PolarHBondContact O-NE1 3.22Å
793K31.2Very low29.8Very low209 Ų209134.6 Ų134.691%0.90973%0.733SS**  trans-11362.8170.9-66.3-171178.8-176.50109.7
794S33.6Very low29.7Very low92 Ų92136.3 Ų136.364%0.64373%0.732SS**  trans-120.991.3167.4179.40000107.9
795Q30Very low29.7Very low177 Ų177135.8 Ų135.883%0.82773%0.73SS**  trans35.297135.5-145.3155.41100114.6P797Q795-P797 WeakPolarHBondContact O-CD 3.21Å; Q795-P797 VanDerWaalsContact O-N 3.14Å
796I29Very low29.5Very low152 Ų152135.6 Ų135.678%0.77973%0.729SS**  trans-49.8121.4164.4-66167.9000106.7N798I796-N798 PolarHBondContact O-N 3.05Å
797P32.8Very low29.2Very low102 Ų102136.8 Ų136.866%0.66273%0.729SS**  trans-60.9112.1176.5-20.532000108.5Q795 V799Q795-P797 WeakPolarHBondContact O-CD 3.21Å; Q795-P797 VanDerWaalsContact O-N 3.14Å; P797-V799 HydrophobicContact CB-CG2 3.84Å; P797-V799 PolarHBondContact O-N 2.92Å
798N28.8Very low29.3Very low154 Ų154136.8 Ų136.882%0.82473%0.729SS**  trans-68.369.1159.2-87.6-14.7000107.6I796 V800I796-N798 PolarHBondContact O-N 3.05Å; N798-V800 PolarHBondContact O-N 2.84Å
799V27.5Very low29.1Very low117 Ų117139.9 Ų139.971%0.70974%0.738SS**  trans-78.476.8160.6-175.40000105P797 S801P797-V799 HydrophobicContact CB-CG2 3.84Å; P797-V799 PolarHBondContact O-N 2.92Å; V799-S801 VanDerWaalsContact C-N 3.26Å; V799-S801 PolarHBondContact O-N 2.85Å
800V27.6Very low29.1Very low107 Ų107139.5 Ų139.565%0.64874%0.742SS**  trans-65.9101.8157.7-177.30000104.2N798 N802N798-V800 PolarHBondContact O-N 2.84Å; V800-N802 VanDerWaalsContact C-N 3.27Å; V800-N802 PolarHBondContact O-N 3.07Å
801S29.3Very low29Very low96 Ų96139.5 Ų139.567%0.67174%0.741SS**  trans-61.487.3176.835.90000109.9V799 S803V799-S801 VanDerWaalsContact C-N 3.26Å; V799-S801 PolarHBondContact O-N 2.85Å; S801-S803 PolarHBondContact O-N 3.15Å
802N26.2Very low28.9Very low137 Ų137144.9 Ų144.973%0.73376%0.756SS**  trans-82.760.1163.1-78.6-10.7000109.2V800 I804V800-N802 VanDerWaalsContact C-N 3.27Å; V800-N802 PolarHBondContact O-N 3.07Å; N802-I804 PolarHBondContact O-N 3.36Å
803S27.6Very low29.1Very low90 Ų90141.2 Ų141.263%0.62975%0.754SS**  trans-8679.4160.859.40000107.6S801 I805S801-S803 PolarHBondContact O-N 3.15Å; S803-I805 PolarHBondContact O-N 3.45Å
804I26Very low28.8Very low141 Ų141136.8 Ų136.872%0.72375%0.745SS**  trans-63.493.7161.6-63.2168.9000105.6N802 R806N802-I804 PolarHBondContact O-N 3.36Å; I804-R806 HydrophobicContact CG2-CG 4.41Å; I804-R806 PolarHBondContact O-N 3.23Å; I804-R806 VanDerWaalsContact O-N 3.08Å
805I28.7Very low28.6Very low128 Ų128139 Ų13966%0.65675%0.754SS**  trans-70.7101.7167.9-65.2173.7000105.6S803 N807S803-I805 PolarHBondContact O-N 3.45Å; I805-N807 VanDerWaalsContact C-N 3.29Å; I805-N807 PolarHBondContact O-N 3.33Å
806R27.5Very low28.5Very low211 Ų211136.9 Ų136.980%0.79675%0.749SS**  trans-68.887.7166.3-69.4-179.3-176176.60.2108.1I804I804-R806 HydrophobicContact CG2-CG 4.41Å; I804-R806 PolarHBondContact O-N 3.23Å; I804-R806 VanDerWaalsContact O-N 3.08Å
807N29Very low28.3Very low143 Ų143136.2 Ų136.277%0.76575%0.746SS**  trans-96.5112.7157.3-77.4-10.2000107.1I805I805-N807 VanDerWaalsContact C-N 3.29Å; I805-N807 PolarHBondContact O-N 3.33Å
808F28.5Very low28.1Very low176 Ų176136.7 Ų136.777%0.77275%0.751SS**  trans-59.1152.3167-75.7-97.2000110
809D29.2Very low28Very low166 Ų166134.3 Ų134.389%0.88874%0.743SS**  trans111.184.6170.7-58-18.8000113.2
810G29Very low28.2Very low70 Ų70135.1 Ų135.172%0.72274%0.742SS**SBendtrans149.786.5170.300000113
811D29.9Very low28.1Very low156 Ų156135.6 Ų135.683%0.83474%0.74SS**  trans40.5104.9147.2-56.9-29000119.8
812F28.1Very low28Very low183 Ų183137.9 Ų137.980%0.80375%0.745SS**  trans7.2110.3144.7-76.7-94.5000117.7
813N31Very low28Very low159 Ų159140.7 Ų140.785%0.8575%0.747SS**  -156.185128.7-91.8-30.3000109.1T815N813-T815 PolarHBondContact O-N 3.29Å
814T25.9Very low28.1Very low116 Ų116142.3 Ų142.371%0.71275%0.748SS**  trans-73.695.7175.1-10.10000109.2
815T29.8Very low28.2Very low137 Ų137142.2 Ų142.284%0.8475%0.748SS**  trans-92.3115.9165.7-41.10000109.1N813N813-T815 PolarHBondContact O-N 3.29Å
816N26.9Very low28.3Very low134 Ų134141.5 Ų141.572%0.71775%0.746SS**  trans-59.6132.2-173.9-85.4-46.9000115.2
817I25.5Very low28.3Very low138 Ų138137.5 Ų137.571%0.70875%0.745SS**  23.9117.2126.6-46.7170.7000117.3
818S27.4Very low28.3Very low111 Ų111137.3 Ų137.378%0.77674%0.742SS**  trans-140.499.8140.765.20000110.7
819T26.7Very low28.4Very low105 Ų105139.6 Ų139.664%0.64475%0.746SS**  trans-86104.9171.9-35.80000107.3
820I31.5Very low28.5Very low134 Ų134137.2 Ų137.269%0.68774%0.739SS**  trans-110.282.8167.7-58.2178.5000107.6N822I820-N822 HydrophobicContact CG2-CB 4.37Å; I820-N822 PolarHBondContact O-N 3.48Å
821N26.7Very low28.6Very low116 Ų116143.3 Ų143.362%0.6275%0.746SS**  trans-75.185.8162.9-82.5-20.5000108.4Y823N821-Y823 HydrophobicContact CB-CD2 4.3Å; N821-Y823 HydrophobicContact CB-CE2 4.32Å; N821-Y823 PolarHBondContact O-N 3.02Å
822N27.7Very low28.5Very low144 Ų144141.4 Ų141.477%0.7775%0.745SS**  trans-96.883.7165.4-89.1-17.5000109.6I820 N824I820-N822 HydrophobicContact CG2-CB 4.37Å; I820-N822 PolarHBondContact O-N 3.48Å; N822-N824 PolarHBondContact O-N 3.29Å; N822-N824 VanDerWaalsContact O-N 3.09Å
823Y26.3Very low28.5Very low196 Ų196136.8 Ų136.877%0.76974%0.735SS**  trans-6695.5159.1-75-89.9000108.5N821N821-Y823 HydrophobicContact CB-CD2 4.3Å; N821-Y823 HydrophobicContact CB-CE2 4.32Å; N821-Y823 PolarHBondContact O-N 3.02Å
824N28.4Very low28.5Very low124 Ų124135.7 Ų135.766%0.66373%0.734SS**  trans-129.381161.1-151.4-6000109.1N822 N826N822-N824 PolarHBondContact O-N 3.29Å; N822-N824 VanDerWaalsContact O-N 3.09Å; N824-N826 PolarHBondContact O-N 3.32Å; N824-N826 PolarHBondContact OD1-OD1 3.29Å
825I28.9Very low28.8Very low139 Ų139136.1 Ų136.171%0.71373%0.732SS**  trans-74.566.7169.3-54.8172.4000107T827I825-T827 PolarHBondContact O-N 3.11Å
826N29.6Very low28.9Very low114 Ų114138.9 Ų138.961%0.6173%0.732SS**  trans-82.195.9160.2-84.6-9.2000106.4N824 I828N824-N826 PolarHBondContact O-N 3.32Å; N824-N826 PolarHBondContact OD1-OD1 3.29Å; N826-I828 HydrophobicContact CB-CG1 4.27Å; N826-I828 PolarHBondContact O-N 3.3Å
827T27.7Very low29Very low126 Ų126138.7 Ų138.777%0.77373%0.731SS**  trans-6672.8170.8-44.20000108.2I825 R829I825-T827 PolarHBondContact O-N 3.11Å; T827-R829 VanDerWaalsContact C-N 3.32Å; T827-R829 PolarHBondContact O-N 2.98Å
828I30.1Very low29.3Very low140 Ų140140.9 Ų140.972%0.71874%0.735SS**  trans-74.994.5171.9-59.5173000105.2N826 P830N826-I828 HydrophobicContact CB-CG1 4.27Å; N826-I828 PolarHBondContact O-N 3.3Å; I828-P830 WeakPolarHBondContact O-CD 3.21Å; I828-P830 VanDerWaalsContact O-N 3.08Å
829R29.9Very low29.4Very low224 Ų224143 Ų14385%0.84574%0.737SS**  trans-55.5111169.5-169.3179.2-163-177.64.5107.3T827 K831T827-R829 VanDerWaalsContact C-N 3.32Å; T827-R829 PolarHBondContact O-N 2.98Å; R829-K831 PolarHBondContact O-N 3.05Å; R829-K831 VanDerWaalsContact O-N 3.14Å
830P30.5Very low29.6Very low115 Ų115144.5 Ų144.575%0.74774%0.741SS**  trans-62.8122.9174.1-15.630.1000106.8I828 S832I828-P830 WeakPolarHBondContact O-CD 3.21Å; I828-P830 VanDerWaalsContact O-N 3.08Å; P830-S832 PolarHBondContact O-N 3.44Å
831K31.6Very low29.6Very low199 Ų199144 Ų14487%0.86575%0.745SS**  trans-54.2132.4170.2-69.6178.9178.6177.40107.1R829 S833R829-K831 PolarHBondContact O-N 3.05Å; R829-K831 VanDerWaalsContact O-N 3.14Å; K831-S833 VanDerWaalsContact C-N 3.26Å; K831-S833 PolarHBondContact O-N 3.21Å
832S27.6Very low29.7Very low116 Ų116147.2 Ų147.281%0.81176%0.756SS**  trans-61.887.417554.30000109.2P830 T834P830-S832 PolarHBondContact O-N 3.44Å; S832-T834 PolarHBondContact O-N 3.13Å
833S29.6Very low29.8Very low86 Ų86145.3 Ų145.360%0.60175%0.754SS**  trans-75.3112.3160.960.40000106K831 L835K831-S833 VanDerWaalsContact C-N 3.26Å; K831-S833 PolarHBondContact O-N 3.21Å; S833-L835 PolarHBondContact O-N 3.4Å
834T31Very low30.2Very low135 Ų135145.2 Ų145.283%0.82876%0.758SS**  trans-64.865.9167.1-35.40000108.5S832 K836S832-T834 PolarHBondContact O-N 3.13Å; T834-K836 PolarHBondContact O-N 3.15Å
835L31.5Very low30.5Very low126 Ų126146.7 Ų146.766%0.6677%0.765SS**  trans-70.5104.8166.6-87.1160.6000105S833 N837S833-L835 PolarHBondContact O-N 3.4Å; L835-N837 PolarHBondContact O-N 3.01Å
836K32.6Very low30.7Very low195 Ų195149.1 Ų149.185%0.84877%0.771SS**  trans-58.375.6160.5-67.7-178.5178-179.80107.1T834 K838T834-K836 PolarHBondContact O-N 3.15Å; K836-K838 PolarHBondContact O-N 3.49Å
837N28.4Very low30.9Very low130 Ų130151.4 Ų151.470%0.69578%0.782SS**  trans-65.5101.7161.9-81.2-2.9000104.4L835 L839L835-N837 PolarHBondContact O-N 3.01Å; N837-L839 VanDerWaalsContact C-N 3.27Å; N837-L839 PolarHBondContact O-N 3.11Å
838K32.2Very low31.2Very low184 Ų184150.7 Ų150.780%0.878%0.778SS**  trans-47.5106.7154-70.8179.5176.3-178.40104.4K836 D840K836-K838 PolarHBondContact O-N 3.49Å; K838-D840 PolarHBondContact O-N 2.71Å
839L28.4Very low31.5Very low155 Ų155147.8 Ų147.881%0.81277%0.77SS**  trans-71.291.8171.2-140.9104000103.5N837 T841N837-L839 VanDerWaalsContact C-N 3.27Å; N837-L839 PolarHBondContact O-N 3.11Å; L839-T841 VanDerWaalsContact C-N 3.34Å; L839-T841 PolarHBondContact O-N 3.43Å
840D31.4Very low31.8Very low136 Ų136144.8 Ų144.873%0.72777%0.771SS**  trans-59.1108.5165.5-77.7-31.5000105.5K838 Q842K838-D840 PolarHBondContact O-N 2.71Å; D840-Q842 PolarHBondContact O-N 3.24Å
841T32Very low31.9Very low125 Ų125149.3 Ų149.377%0.76777%0.773SS**  trans-62.883168.232.80000107.3L839 S843L839-T841 VanDerWaalsContact C-N 3.34Å; L839-T841 PolarHBondContact O-N 3.43Å; T841-S843 PolarHBondContact O-N 3.34Å
842Q27.4Very low32.3Very low183 Ų183144.6 Ų144.686%0.85577%0.765SS**  trans-68.882.9157.5-86.1-155.9300107.7D840 K844D840-Q842 PolarHBondContact O-N 3.24Å; Q842-K844 PolarHBondContact O-N 2.82Å; Q842-K844 VanDerWaalsContact O-N 3.15Å
843S31.5Very low32.8Very low104 Ų104146.6 Ų146.673%0.72777%0.766SS**THydrogen-bonded Turntrans-64.4100.815754.20000107.9T841T841-S843 PolarHBondContact O-N 3.34Å
844K34.4Very low33Very low194 Ų194153.3 Ų153.384%0.84378%0.779SS**THydrogen-bonded Turntrans-169.97.2153.1-109166.7-168.8-176.40115.8Q842 K846Q842-K844 PolarHBondContact O-N 2.82Å; Q842-K844 VanDerWaalsContact O-N 3.15Å; K844-K846 PolarHBondContact O-N 3.5Å
845D33.5Very low33.3Very low155 Ų155150.3 Ų150.383%0.82976%0.761SS**  trans-76.280.9165.3-71.1-15.8000109.1L847D845-L847 PolarHBondContact O-N 3.2Å
846K33.3Very low33.5Very low189 Ų189147 Ų14782%0.82276%0.758SS**  trans-52.395.9153.5-90.4179.4173.9178.70105.8K844 T848K844-K846 PolarHBondContact O-N 3.5Å; K846-T848 PolarHBondContact O-N 3.39Å
847L34.8Very low33.7Very low163 Ų163141 Ų14185%0.85374%0.737SS**  trans-61.686.5162.5-80.7160000106.6D845 S849D845-L847 PolarHBondContact O-N 3.2Å; L847-S849 PolarHBondContact O-N 3.26Å
848T34.2Very low33.8Very low110 Ų110144.5 Ų144.568%0.67574%0.741SS**  trans-69.563.7163.347.40000107.7K846 N850K846-T848 PolarHBondContact O-N 3.39Å; T848-N850 PolarHBondContact O-N 3.09Å
849S36.1Very low33.8Very low80 Ų80142.9 Ų142.956%0.55973%0.734SS**  trans-68.291.4165.61640000106.3L847 R851L847-S849 PolarHBondContact O-N 3.26Å; S849-R851 PolarHBondContact O-N 3.45Å
850N35.8Very low34.2Very low161 Ų161139.6 Ų139.686%0.86172%0.717SS**  trans-63.539.4164.9-75.2-21000111.7T848T848-N850 PolarHBondContact O-N 3.09Å
851R32.9Very low34.6Very low210 Ų210140.4 Ų140.479%0.79272%0.72SS**  trans-85.5114163.4-93.1-175.8167.5-178.5-2106.8S849 N853S849-R851 PolarHBondContact O-N 3.45Å; R851-N853 PolarHBondContact O-N 2.83Å; R851-N853 VanDerWaalsContact O-N 3.11Å
852S40.6Very low35.2Very low100 Ų100143.4 Ų143.470%0.69972%0.723SS**  trans-35.8117.8166.156.30000110.4R854S852-R854 VanDerWaalsContact C-N 3.31Å; S852-R854 PolarHBondContact O-N 3.31Å
853N37Very low35.8Very low157 Ų157140.5 Ų140.584%0.8471%0.713SS**  trans-50.182.6-178.3-67.2-36.6000112.5R851R851-N853 PolarHBondContact O-N 2.83Å; R851-N853 VanDerWaalsContact O-N 3.11Å
854R35Very low36Very low227 Ų227143.4 Ų143.486%0.85772%0.72SS**  trans-88.7118.2168.1-89.6-173.2173.6-179.5-0.9108.5S852 G856S852-R854 VanDerWaalsContact C-N 3.31Å; S852-R854 PolarHBondContact O-N 3.31Å; R854-G856 PolarHBondContact O-N 3.3Å
855P37.1Very low35.9Very low72 Ų72136.5 Ų136.547%0.46870%0.696SS.*  trans-58.8130.4179.120.8-29.5000110.3V857P855-V857 PolarHBondContact O-N 3.29Å
856G35.9Very low36Very low58 Ų58134.3 Ų134.360%0.59868%0.684SS**  trans-78.9111.6173.200000109.6R854 R858R854-G856 PolarHBondContact O-N 3.3Å; G856-R858 PolarHBondContact O-N 3.07Å
857V35.9Very low36.2Very low67 Ų67129.5 Ų129.541%0.40667%0.667SS.*EExtended strand (participates in β ladder)trans-85.5111.9175.2-178.20000109.1P855 F859 I866P855-V857 PolarHBondContact O-N 3.29Å; V857-F859 HydrophobicContact CG1-CD2 4.26Å; V857-F859 HydrophobicContact CG1-CE1 4.39Å; V857-F859 HydrophobicContact CG1-CE2 3.84Å; V857-F859 HydrophobicContact CG1-CZ 3.92Å; V857-I866 HydrophobicContact CG1-CG2 3.9Å
858R31.2Very low36.4Very low205 Ų205125.8 Ų125.877%0.77465%0.645SS**EExtended strand (participates in β ladder)trans-98.4125.2164.4-93.7-176.6156.1-168.1-4.5108.8G856 D860G856-R858 PolarHBondContact O-N 3.07Å; R858-D860 PolarHBondContact O-N 3.16Å
859F32.1Very low36.6Very low150 Ų150125.5 Ų125.566%0.65863%0.634SS**EExtended strand (participates in β ladder)trans-85.1108.5173.5-69-85.9000109.4V857 I861 I866V857-F859 HydrophobicContact CG1-CD2 4.26Å; V857-F859 HydrophobicContact CG1-CE1 4.39Å; V857-F859 HydrophobicContact CG1-CE2 3.84Å; V857-F859 HydrophobicContact CG1-CZ 3.92Å; F859-I861 PolarHBondContact O-N 2.9Å; F859-I866 HydrophobicContact CD1-CG1 4.34Å; F859-I866 HydrophobicContact CE1-CD1 4.19Å; F859-I866 HydrophobicContact CE1-CG1 4.13Å
860D36.4Very low36.7Very low85 Ų85128.4 Ų128.446%0.45563%0.634SS.*EExtended strand (participates in β ladder)trans-84.4101.3166.7-163.2-12000109.3R858 K862R858-D860 PolarHBondContact O-N 3.16Å; D860-K862 PolarHBondContact O-N 2.93Å; D860-K862 VanDerWaalsContact O-N 3.16Å; D860-K862 PolarHBondContact OD1-N 3.33Å
861I40.6Very low37Very low154 Ų154124 Ų12479%0.7962%0.621SS**THydrogen-bonded Turntrans-64.7-17.2-176.8-64.8168.7000111.5F859F859-I861 PolarHBondContact O-N 2.9Å
862K44.3Very low37.3Very low187 Ų187121.7 Ų121.781%0.81362%0.618SS**THydrogen-bonded Turntrans-71.1-33.7-177.2-99-176.5173.8-1780113.9D860D860-K862 PolarHBondContact O-N 2.93Å; D860-K862 VanDerWaalsContact O-N 3.16Å; D860-K862 PolarHBondContact OD1-N 3.33Å
863N39.1Very low37.3Very low122 Ų122122.7 Ų122.765%0.65262%0.616SS**THydrogen-bonded Turntrans-120.12.7-170.8-70.8-12.6000114.3S865N863-S865 PolarHBondContact O-N 3.29Å
864N35.3Very low37.3Very low165 Ų165121.5 Ų121.588%0.88261%0.608SS**THydrogen-bonded Turntrans53.622.8-177.6-114.212.7000113.1
865S32.3Very low37.3Very low49 Ų49116.4 Ų116.434%0.34360%0.596SS.*EExtended strand (participates in β ladder)trans-106.7130176.658.30000109.6N863 L867N863-S865 PolarHBondContact O-N 3.29Å; S865-L867 PolarHBondContact O-N 2.93Å
866I35.6Very low37.1Very low110 Ų110120.2 Ų120.256%0.56461%0.613SS**EExtended strand (participates in β ladder)trans-84.4102.9170.5-63169.6000105.7V857 F859 E868V857-I866 HydrophobicContact CG1-CG2 3.9Å; F859-I866 HydrophobicContact CD1-CG1 4.34Å; F859-I866 HydrophobicContact CE1-CD1 4.19Å; F859-I866 HydrophobicContact CE1-CG1 4.13Å; I866-E868 PolarHBondContact O-N 3.31Å
867L37.9Very low36.9Very low88 Ų88127.8 Ų127.846%0.46163%0.629SS.*EExtended strand (participates in β ladder)trans-82.1101.1167.8-92.2122.2000108.2S865 F869S865-L867 PolarHBondContact O-N 2.93Å; L867-F869 HydrophobicContact CB-CD2 4.46Å; L867-F869 HydrophobicContact CB-CE2 3.95Å; L867-F869 HydrophobicContact CB-CZ 4.35Å; L867-F869 HydrophobicContact CD2-CZ 4.31Å; L867-F869 PolarHBondContact O-N 3.3Å
868E38.9Very low36.8Very low84 Ų84133.8 Ų133.839%0.39367%0.674SS.*EExtended strand (participates in β ladder)trans-75105.3165-121.9178.4-161.900107.6I866 Y870I866-E868 PolarHBondContact O-N 3.31Å; E868-Y870 HydrophobicContact CB-CE2 4.43Å; E868-Y870 PolarHBondContact O-N 3.48Å; E868-Y870 PolarHBondContact OE2-OH 3.14Å
869F39.2Very low37.1Very low105 Ų105130.2 Ų130.246%0.46167%0.669SS.*  trans-78.4110.9170.1-70-86.4000108.1L867L867-F869 HydrophobicContact CB-CD2 4.46Å; L867-F869 HydrophobicContact CB-CE2 3.95Å; L867-F869 HydrophobicContact CB-CZ 4.35Å; L867-F869 HydrophobicContact CD2-CZ 4.31Å; L867-F869 PolarHBondContact O-N 3.3Å
870Y37Very low37.3Very low140 Ų140129.2 Ų129.255%0.54967%0.67SS.*  trans-73.2143.5163.2-62.9-78.7000108.1E868 H872 D873E868-Y870 HydrophobicContact CB-CE2 4.43Å; E868-Y870 PolarHBondContact O-N 3.48Å; E868-Y870 PolarHBondContact OE2-OH 3.14Å; Y870-H872 PolarHBondContact O-N 3.3Å; Y870-D873 PolarHBondContact O-N 3.5Å
871A43.5Very low37.4Very low70 Ų70131.6 Ų131.658%0.57968%0.682SS**G310 helixtrans-59-15.2-17800000113.5D873A871-D873 VanDerWaalsContact C-N 3.33Å
872H39.6Very low37.2Very low161 Ų161130.3 Ų130.375%0.74568%0.675SS**G310 helixtrans-73.5-18.4175.1-69.7-69.5000114.2Y870 I874Y870-H872 PolarHBondContact O-N 3.3Å; H872-I874 VanDerWaalsContact C-N 3.33Å
873D39.3Very low36.7Very low120 Ų120126.8 Ų126.864%0.64267%0.667SS**G310 helixtrans-85.9-4178.9-71-17.6000113.5Y870 A871Y870-D873 PolarHBondContact O-N 3.5Å; A871-D873 VanDerWaalsContact C-N 3.33Å
874I37.9Very low36.6Very low133 Ų133127.1 Ų127.168%0.68267%0.668SS**G310 helixtrans-89-9.3178.9-58.7178.6000111.7H872 N876H872-I874 VanDerWaalsContact C-N 3.33Å; I874-N876 PolarHBondContact O-N 3.38Å
875I35.3Very low36.7Very low119 Ų119124.4 Ų124.461%0.6165%0.652SS**THydrogen-bonded Turntrans-101.590.1-179.6-48.6175.5000107.7
876N33Very low37Very low153 Ų153130.2 Ų130.282%0.81868%0.676SS**THydrogen-bonded Turntrans160.532.4150.1-77.6-14.3000114.5I874I874-N876 PolarHBondContact O-N 3.38Å
877K29.7Very low37.1Very low216 Ų216131.8 Ų131.894%0.93969%0.686SS**  trans-135.385.1158.7-82.5-173.4176.7175.20110
878S34.3Very low37.1Very low193 Ų193135.8 Ų135.8100%1.3571%0.706SS**  trans-121.60161.661.10000108.8

Retrieved 878 of 878 residues in 995.7 ms (Link to these results)