A0A3Q0KMK0_SCHMA Loading...

Non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KMK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 501 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
1M35Very low31.6Very low238 Ų238151.4 Ų151.4100%1.17283%0.831SS**  0112.60-80.9-171.3144.500108
2S28.9Very low31.7Very low130 Ų130157.8 Ų157.891%0.90984%0.836SS**  trans-87120.2170.1-54.30000107.3
3V32.6Very low31.5Very low138 Ų138164 Ų16484%0.83684%0.844SS**  trans-117.3132.2163.6-177.90000107.6
4S28.8Very low31.5Very low94 Ų94164.5 Ų164.566%0.65784%0.841SS**  trans-77.5169-169.249.90000114.7
5S31.2Very low31.8Very low103 Ų103170.1 Ų170.172%0.7285%0.847SS**  trans60.5126.915262.70000116.2
6E33.7Very low32.1Very low186 Ų186166.3 Ų166.387%0.86984%0.842SS**  -16814951-146.8167.4-167.300108.9N8E6-N8 PolarHBondContact O-N 3.49Å
7R30.4Very low32Very low235 Ų235166.7 Ų166.789%0.88785%0.846SS**  trans-66.1128.5176.1-66.7172.2177175.3-1.3109.8
8N32.5Very low32.2Very low160 Ų160171.2 Ų171.286%0.85685%0.851SS**  -155.1116.7129.5-121.4-30.4000112.2E6E6-N8 PolarHBondContact O-N 3.49Å
9P32.9Very low32.7Very low104 Ų104168 Ų16868%0.67585%0.847SS**  trans-92.5114.8175.133.8-25.3000109.1
10K33.3Very low33.5Very low218 Ų218170.1 Ų170.195%0.94885%0.85SS**  trans159.982.9152.3-90.5161.8-173.3-178.10108.6
11G28.5Very low34Very low59 Ų59169.3 Ų169.361%0.60885%0.849SS**  trans-165.7111.8168.700000107.1
12Y32.6Very low33.8Very low229 Ų229165.3 Ų165.390%0.89883%0.827SS**  trans-176.484132.6-94.8-68.4000106.8Q14Y12-Q14 PolarHBondContact O-N 3.25Å
13Y29.3Very low34Very low238 Ų238168.1 Ų168.193%0.93382%0.823SS**  trans-71.3114.9157.5-87.2-88.1000108
14Q30.7Very low34.1Very low171 Ų171170.1 Ų170.180%0.79982%0.82SS**  trans-149.599.4158.7-162.8174.31.800110.6Y12Y12-Q14 PolarHBondContact O-N 3.25Å
15R36.9Very low34.1Very low248 Ų248174.1 Ų174.194%0.93683%0.826SS**SBendtrans-151.5121.3131.1-104.9173.9-159.4-176.85.9108.3
16S35.7Very low34.1Very low110 Ų110176.5 Ų176.577%0.76982%0.823SS**  trans-73.5137.1-155490000114.9
17L31.7Very low34Very low173 Ų173176.6 Ų176.691%0.90682%0.817SS**  trans-77.7113.2158.1-70.6160.3000110.3
18R34.5Very low34.1Very low248 Ų248169.3 Ų169.394%0.93682%0.815SS**  trans-151.1122.6149.6-77.8-166.3174.5-166.7-1.8105.5
19S41.7Very low34Very low110 Ų110172.7 Ų172.777%0.76982%0.816SS**  cis-150142.133.456.30000112.2N21S19-N21 VanDerWaalsContact C-N 3.33Å; S19-N21 PolarHBondContact O-N 3.37Å; S19-N21 VanDerWaalsContact O-N 3.08Å
20K49Very low34Very low210 Ų210172.1 Ų172.191%0.91381%0.814SS**THydrogen-bonded Turntrans-69.714.4-171.7-90.3-179.3175.3178.30118.3
21N44.1Very low34.2Very low154 Ų154169.6 Ų169.682%0.82481%0.81SS**THydrogen-bonded Turntrans-139.126.8-168.8-81.8-29000118.5S19 K23S19-N21 VanDerWaalsContact C-N 3.33Å; S19-N21 PolarHBondContact O-N 3.37Å; S19-N21 VanDerWaalsContact O-N 3.08Å; N21-K23 PolarHBondContact O-N 2.8Å
22H30.2Very low34.4Very low153 Ų153173.5 Ų173.571%0.70882%0.817SS**  trans-96.582.6171.5-136.50.5000113.1F24H22-F24 AromaticContact CD2-CD2 3.93Å; H22-F24 AromaticContact CD2-CE2 3.95Å; H22-F24 AromaticContact CE1-CD2 3.61Å; H22-F24 AromaticContact CE1-CE2 3.43Å; H22-F24 VanDerWaalsContact CE1-CE2 3.43Å; H22-F24 WeakPolarHBondContact CE1-CE2 3.39Å; H22-F24 AromaticContact ND1-CD2 3.86Å; H22-F24 AromaticContact NE2-CD2 3.65Å; H22-F24 AromaticContact NE2-CE2 3.27Å; H22-F24 VanDerWaalsContact NE2-CE2 3.27Å; H22-F24 WeakPolarHBondContact NE2-CE2 3.49Å; H22-F24 PolarHBondContact O-N 3.48Å
23K33.2Very low34.7Very low190 Ų190171.3 Ų171.383%0.82681%0.812SS**  trans-7590.8160.9-75.3-179.9-179.8175.50108.4N21 K25N21-K23 PolarHBondContact O-N 2.8Å; K23-K25 PolarHBondContact O-N 2.57Å
24F34.6Very low35.3Very low180 Ų180164.8 Ų164.879%0.78980%0.798SS**  trans-74.497.2165.3-114.5-82.4000109H22H22-F24 AromaticContact CD2-CD2 3.93Å; H22-F24 AromaticContact CD2-CE2 3.95Å; H22-F24 AromaticContact CE1-CD2 3.61Å; H22-F24 AromaticContact CE1-CE2 3.43Å; H22-F24 VanDerWaalsContact CE1-CE2 3.43Å; H22-F24 WeakPolarHBondContact CE1-CE2 3.39Å; H22-F24 AromaticContact ND1-CD2 3.86Å; H22-F24 AromaticContact NE2-CD2 3.65Å; H22-F24 AromaticContact NE2-CE2 3.27Å; H22-F24 VanDerWaalsContact NE2-CE2 3.27Å; H22-F24 WeakPolarHBondContact NE2-CE2 3.49Å; H22-F24 PolarHBondContact O-N 3.48Å
25K28.6Very low35.8Very low177 Ų177165.4 Ų165.477%0.7780%0.798SS**  trans-75.9137.3163.3-92178.7172.6176.40108.9K23K23-K25 PolarHBondContact O-N 2.57Å
26K32.8Very low35.9Very low153 Ų153162.1 Ų162.167%0.66579%0.791SS**  trans81.1130.1138.6-113.9170.1172.6-163.50120.2
27Y31.5Very low36.5Very low189 Ų189161.8 Ų161.874%0.74178%0.781SS**  trans86.263.1156.4-46-65.6000119.6
28G31.2Very low37.5Very low82 Ų82158.1 Ų158.185%0.84577%0.769SS**  trans-92.498149.800000109.4S30G28-S30 PolarHBondContact O-N 2.63Å
29R32Very low38.8Very low230 Ų230149.4 Ų149.487%0.86875%0.747SS**  trans-48.9124175.3-67.8176.8180-173.2-0.7109.6L31R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.36Å
30S32.3Very low39.4Very low93 Ų93149.1 Ų149.165%0.6574%0.735SS**  trans-63.9101.8164.7670000107.3G28 L32G28-S30 PolarHBondContact O-N 2.63Å; S30-L32 PolarHBondContact O-N 2.96Å
31L37Very low40.1Very low164 Ų164146.3 Ų146.386%0.85972%0.722SS**  trans-72.567.7162.5-72.8169.6000107.7R29 K33R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.36Å; L31-K33 PolarHBondContact O-N 3.37Å
32L33.2Very low41Very low142 Ų142142.5 Ų142.574%0.74371%0.705SS**  trans-63.985.5157.8-79.7161.2000106.7S30S30-L32 PolarHBondContact O-N 2.96Å
33K39.3Very low42.7Very low182 Ų182139.6 Ų139.679%0.79169%0.692SS**  trans-85.9110.4142.5-74.4-173.8178.3-178.70104.5L31 K35L31-K33 PolarHBondContact O-N 3.37Å; K33-K35 PolarHBondContact O-N 3.47Å
34P40.2Very low44.3Very low101 Ų101138.1 Ų138.166%0.65669%0.685SS**  trans-60.3108.4175.423.4-29000106.7F36P34-F36 VanDerWaalsContact C-N 3.28Å; P34-F36 PolarHBondContact O-N 2.86Å
35K41.5Very low45.9Very low184 Ų184134.7 Ų134.780%0.867%0.671SS**  trans-59.5106.9157.5-73.3-178178.1179.90103.4K33 D37K33-K35 PolarHBondContact O-N 3.47Å; K35-D37 PolarHBondContact O-N 3Å
36F40.6Very low47.2Very low180 Ų180133.9 Ų133.979%0.78966%0.663SS**  trans-58.490.9164.8-98.2-93.3000105.4P34 S38P34-F36 VanDerWaalsContact C-N 3.28Å; P34-F36 PolarHBondContact O-N 2.86Å; F36-S38 PolarHBondContact O-N 3.2Å
37D46.5Very low48.6Very low103 Ų103130.5 Ų130.555%0.55165%0.653SS**  trans-60117178.9-78.1-33.2000106.7K35 S39 M40K35-D37 PolarHBondContact O-N 3Å; D37-S39 PolarHBondContact O-N 3.42Å; D37-M40 PolarHBondContact O-N 3.03Å
38S52.9Low50Low95 Ų95127.4 Ų127.466%0.66465%0.645SS**Hα-helixtrans-45.9-31.1168.946.50000111.3F36 M40 K41 T42F36-S38 PolarHBondContact O-N 3.2Å; S38-M40 VanDerWaalsContact C-N 3.35Å; S38-M40 PolarHBondContact O-N 3.37Å; S38-K41 PolarHBondContact O-N 3.49Å; S38-K41 VanDerWaalsContact O-N 3.13Å; S38-T42 PolarHBondContact O-N 3.19Å; S38-T42 PolarHBondContact O-OG1 3.44Å; S38-T42 VanDerWaalsContact O-OG1 3.08Å
39S62.1Low51.2Low65 Ų65126.9 Ų126.946%0.45562%0.622SS.*Hα-helixtrans-47.2-47170.5-173.30000113.9D37 K41 T42 E43D37-S39 PolarHBondContact O-N 3.42Å; S39-K41 PolarHBondContact O-N 3.4Å; S39-T42 VanDerWaalsContact CA-OG1 3.29Å; S39-T42 WeakPolarHBondContact CA-OG1 2.83Å; S39-T42 PolarHBondContact O-N 3.47Å; S39-T42 PolarHBondContact O-OG1 3.17Å; S39-E43 VanDerWaalsContact O-CB 3.26Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 PolarHBondContact O-N 3.3Å
40M55.3Low52.1Low105 Ų105119.1 Ų119.152%0.51760%0.603SS.*Hα-helixtrans-71.2-30.7-178.6-75.1-83.894.500112.9D37 S38 E43 K44D37-M40 PolarHBondContact O-N 3.03Å; S38-M40 VanDerWaalsContact C-N 3.35Å; S38-M40 PolarHBondContact O-N 3.37Å; M40-E43 WeakPolarHBondContact CE-OE2 3.29Å; M40-K44 WeakPolarHBondContact O-CB 3.06Å; M40-K44 WeakPolarHBondContact O-CG 3.43Å; M40-K44 PolarHBondContact O-N 3.18Å; M40-K44 VanDerWaalsContact O-N 3.1Å
41K62.8Low53Low150 Ų150121.2 Ų121.265%0.65261%0.606SS**Hα-helixtrans-72.9-42174.5-74.5-176179.5178.40110.9S38 S39 H45S38-K41 PolarHBondContact O-N 3.49Å; S38-K41 VanDerWaalsContact O-N 3.13Å; S39-K41 PolarHBondContact O-N 3.4Å; K41-H45 WeakPolarHBondContact O-CB 3.35Å; K41-H45 PolarHBondContact O-N 2.99Å
42T64Low53.5Low74 Ų74121 Ų12145%0.45460%0.6SS.*Hα-helixtrans-66.3-40.8175.845.90000111.6S38 S39 H45 W46S38-T42 PolarHBondContact O-N 3.19Å; S38-T42 PolarHBondContact O-OG1 3.44Å; S38-T42 VanDerWaalsContact O-OG1 3.08Å; S39-T42 VanDerWaalsContact CA-OG1 3.29Å; S39-T42 WeakPolarHBondContact CA-OG1 2.83Å; S39-T42 PolarHBondContact O-N 3.47Å; S39-T42 PolarHBondContact O-OG1 3.17Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.01Å; T42-W46 PolarHBondContact O-N 3.15Å
43E64.2Low54.1Low93 Ų93116.3 Ų116.344%0.43558%0.579SS.*Hα-helixtrans-66.7-41.8178.5-172178.4167.900111.9S39 M40 H45 W46 N47S39-E43 VanDerWaalsContact O-CB 3.26Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 PolarHBondContact O-N 3.3Å; M40-E43 WeakPolarHBondContact CE-OE2 3.29Å; E43-H45 VanDerWaalsContact C-N 3.32Å; E43-H45 PolarHBondContact O-N 3.46Å; E43-W46 PolarHBondContact O-N 3.06Å; E43-N47 VanDerWaalsContact O-CB 3.31Å; E43-N47 WeakPolarHBondContact O-CB 2.96Å; E43-N47 PolarHBondContact O-N 3.42Å; E43-N47 PolarHBondContact O-ND2 2.97Å
44K68.7Low54.7Low158 Ų158117.6 Ų117.669%0.68759%0.585SS**Hα-helixtrans-60.3-41.8171.6-80-175.2178.8-176.20112.1M40 Q48M40-K44 WeakPolarHBondContact O-CB 3.06Å; M40-K44 WeakPolarHBondContact O-CG 3.43Å; M40-K44 PolarHBondContact O-N 3.18Å; M40-K44 VanDerWaalsContact O-N 3.1Å; K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.39Å; K44-Q48 PolarHBondContact O-N 3.3Å
45H67.1Low55.3Low108 Ų108120.1 Ų120.150%0.559%0.586SS.*Hα-helixtrans-63.3-46.3177.2-177.663.3000111.9K41 T42 E43 Q48 I49K41-H45 WeakPolarHBondContact O-CB 3.35Å; K41-H45 PolarHBondContact O-N 2.99Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.01Å; E43-H45 VanDerWaalsContact C-N 3.32Å; E43-H45 PolarHBondContact O-N 3.46Å; H45-Q48 PolarHBondContact O-N 3.3Å; H45-I49 VanDerWaalsContact NE2-CD1 3.34Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.39Å; H45-I49 WeakPolarHBondContact O-CG1 3.24Å; H45-I49 PolarHBondContact O-N 3.43Å
46W55.7Low55.6Low160 Ų160120 Ų12061%0.60659%0.588SS**Hα-helixtrans-66.2-40.4177.7-78.7116.1000113.1T42 E43 Q48 I49 S50T42-W46 PolarHBondContact O-N 3.15Å; E43-W46 PolarHBondContact O-N 3.06Å; W46-Q48 VanDerWaalsContact C-N 3.3Å; W46-Q48 PolarHBondContact O-N 3.19Å; W46-I49 HydrophobicContact CE3-CD1 4.47Å; W46-I49 PolarHBondContact O-N 3.49Å; W46-S50 VanDerWaalsContact O-CB 3.26Å; W46-S50 WeakPolarHBondContact O-CB 3.16Å; W46-S50 PolarHBondContact O-N 3.47Å; W46-S50 PolarHBondContact O-OG 3.41Å
47N62.3Low55.8Low82 Ų82116.4 Ų116.444%0.43958%0.583SS.*Hα-helixtrans-65-36.5175.1-76.4-23.8000111.4E43 S50 L51E43-N47 VanDerWaalsContact O-CB 3.31Å; E43-N47 WeakPolarHBondContact O-CB 2.96Å; E43-N47 PolarHBondContact O-N 3.42Å; E43-N47 PolarHBondContact O-ND2 2.97Å; N47-S50 PolarHBondContact O-N 3.12Å; N47-L51 VanDerWaalsContact O-CB 3.25Å; N47-L51 WeakPolarHBondContact O-CB 3.06Å; N47-L51 WeakPolarHBondContact O-CD1 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.24Å; N47-L51 PolarHBondContact O-N 3.11Å
48Q61.1Low56Low124 Ų124121.8 Ų121.858%0.57960%0.595SS**Hα-helixtrans-69.5-39.4176.7-158.7169.719.300112.2K44 H45 W46 H52K44-Q48 VanDerWaalsContact O-CB 3.32Å; K44-Q48 WeakPolarHBondContact O-CB 3.39Å; K44-Q48 PolarHBondContact O-N 3.3Å; H45-Q48 PolarHBondContact O-N 3.3Å; W46-Q48 VanDerWaalsContact C-N 3.3Å; W46-Q48 PolarHBondContact O-N 3.19Å; Q48-H52 PolarHBondContact O-CD2 3.31Å
49I55.8Low56Low71 Ų71124.3 Ų124.336%0.36460%0.6SS.*Hα-helixtrans-63.9-45172.2-67.1166.1000110.4H45 W46 H52 S53H45-I49 VanDerWaalsContact NE2-CD1 3.34Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.39Å; H45-I49 WeakPolarHBondContact O-CG1 3.24Å; H45-I49 PolarHBondContact O-N 3.43Å; W46-I49 HydrophobicContact CE3-CD1 4.47Å; W46-I49 PolarHBondContact O-N 3.49Å; I49-H52 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.33Å
50S51.6Low55.4Low67 Ų67126.6 Ų126.647%0.46961%0.611SS.*Hα-helixtrans-71.3-36.8-175.3-56.30000113W46 N47 H52 S53W46-S50 VanDerWaalsContact O-CB 3.26Å; W46-S50 WeakPolarHBondContact O-CB 3.16Å; W46-S50 PolarHBondContact O-N 3.47Å; W46-S50 PolarHBondContact O-OG 3.41Å; N47-S50 PolarHBondContact O-N 3.12Å; S50-H52 VanDerWaalsContact C-N 3.27Å; S50-H52 PolarHBondContact O-N 3.35Å; S50-S53 PolarHBondContact O-N 2.83Å
51L50.3Low54.8Low137 Ų137128.3 Ų128.372%0.71762%0.622SS**Hα-helixtrans-65.6-29.4177.4-86.5158000112.6N47N47-L51 VanDerWaalsContact O-CB 3.25Å; N47-L51 WeakPolarHBondContact O-CB 3.06Å; N47-L51 WeakPolarHBondContact O-CD1 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.24Å; N47-L51 PolarHBondContact O-N 3.11Å
52H48.6Very low53.8Low159 Ų159125.9 Ų125.974%0.73662%0.622SS**Hα-helixtrans-89.5-5.5177.8-67.4-52.1000114Q48 I49 S50Q48-H52 PolarHBondContact O-CD2 3.31Å; I49-H52 PolarHBondContact O-N 3.41Å; S50-H52 VanDerWaalsContact C-N 3.27Å; S50-H52 PolarHBondContact O-N 3.35Å
53S45.7Very low53.5Low44 Ų44129.2 Ų129.231%0.30864%0.641SS.*  trans-117.472179.669.80000112.1I49 S50 K55I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.33Å; S50-S53 PolarHBondContact O-N 2.83Å; S53-K55 WeakPolarHBondContact CB-O 3.31Å; S53-K55 PolarHBondContact O-N 2.8Å
54K52.2Low52.5Low210 Ų210133 Ų13391%0.91366%0.656SS**SBendtrans-66.111.4161.7-74.9-162.2176.4-172.90113.6
55K52.9Low51.4Low154 Ų154131.5 Ų131.567%0.6766%0.663SS**SBendtrans-135.7132.7173.4-67.3-174.1177.7-176.60105.8S53S53-K55 WeakPolarHBondContact CB-O 3.31Å; S53-K55 PolarHBondContact O-N 2.8Å
56E48.1Very low50.1Low181 Ų181133.1 Ų133.185%0.84668%0.68SS**  trans-34.2135.7-176.5-68.8172.3150.900112.1R58E56-R58 VanDerWaalsContact C-N 3.28Å; E56-R58 PolarHBondContact O-N 3.07Å
57P44.5Very low49.2Very low105 Ų105128.3 Ų128.368%0.68268%0.68SS**  trans-61.792.4-17525.8-33.7000109.6I59P57-I59 VanDerWaalsContact C-N 3.35Å; P57-I59 PolarHBondContact O-N 3.48Å
58R49.4Very low47.8Very low215 Ų215134.8 Ų134.881%0.81170%0.701SS**  trans-80.389.9176.7-167.5178.1-173.7168.14107.2E56 T60E56-R58 VanDerWaalsContact C-N 3.28Å; E56-R58 PolarHBondContact O-N 3.07Å; R58-T60 HydrophobicContact CG-CG2 4.36Å; R58-T60 PolarHBondContact O-N 3.41Å
59I52.7Low46.7Very low148 Ų148137.7 Ų137.776%0.75971%0.711SS**  trans-57106.9169.9-55.7172000106.6P57 L61P57-I59 VanDerWaalsContact C-N 3.35Å; P57-I59 PolarHBondContact O-N 3.48Å; I59-L61 HydrophobicContact CG2-CD2 4.39Å; I59-L61 HydrophobicContact CG2-CG 4.33Å
60T49.5Very low45.7Very low113 Ų113139.9 Ų139.969%0.69373%0.733SS**  trans-102.898.2174.829.40000107.1R58R58-T60 HydrophobicContact CG-CG2 4.36Å; R58-T60 PolarHBondContact O-N 3.41Å
61L44.7Very low45.1Very low142 Ų142142.1 Ų142.174%0.74375%0.748SS**  trans-70.7132170.4-66.8171.9000108.5I59 V63I59-L61 HydrophobicContact CG2-CD2 4.39Å; I59-L61 HydrophobicContact CG2-CG 4.33Å; L61-V63 PolarHBondContact O-N 2.98Å
62P41.1Very low44.5Very low99 Ų99143.1 Ų143.164%0.64375%0.753SS**  trans-64.9126175.325.3-31000109.6K64P62-K64 PolarHBondContact O-N 2.79Å; P62-K64 VanDerWaalsContact O-N 3.13Å
63V57.3Low44Very low143 Ų143142.1 Ų142.187%0.86775%0.752SS**SBendtrans-71.4-4.2-173.91770000113.3L61L61-V63 PolarHBondContact O-N 2.98Å
64K43.1Very low43.6Very low172 Ų172146.9 Ų146.975%0.74877%0.773SS**SBendtrans-141141.9171.3-67.5-166177.7-171.30111.3P62 T66P62-K64 PolarHBondContact O-N 2.79Å; P62-K64 VanDerWaalsContact O-N 3.13Å; K64-T66 PolarHBondContact O-N 2.88Å
65P45.4Very low42.8Very low127 Ų127144.8 Ų144.883%0.82577%0.766SS**  trans-60.5136-176.424.8-33000110.7G67P65-G67 PolarHBondContact O-N 2.75Å
66T40.4Very low42.1Very low142 Ų142148.3 Ų148.387%0.87178%0.775SS**  trans-63.797.5-175.138.90000112K64K64-T66 PolarHBondContact O-N 2.88Å
67G36.2Very low41.6Very low59 Ų59149.7 Ų149.761%0.60878%0.779SS**  trans-143.886.8162.100000109.3P65P65-G67 PolarHBondContact O-N 2.75Å
68Y32.3Very low41.5Very low219 Ų219152.6 Ų152.686%0.85978%0.78SS**SBendtrans68.5123.1162.6-76-87.8000121.2
69K38.8Very low41.1Very low185 Ų185147.7 Ų147.780%0.80478%0.776SS**SBendtrans83.194.7152.6-60.5178.6-174.3-178.90118.5
70S35.2Very low40.1Very low116 Ų116152.6 Ų152.681%0.81179%0.786SS**  trans52.6101.115657.40000117.9
71S39.7Very low39.6Very low115 Ų115154.1 Ų154.180%0.80479%0.789SS**  trans-70.6124.5166.546.30000111.1L73S71-L73 PolarHBondContact O-N 3.34Å
72I36.1Very low39Very low157 Ų157154.2 Ų154.281%0.80580%0.796SS**  trans-76.5113.7169.5-64.5170.2000107.4I74I72-I74 PolarHBondContact O-N 3.46Å
73L39.3Very low38.8Very low138 Ų138154 Ų15472%0.72380%0.802SS**  trans-8295.2-176.2-151.8142.9000109.3S71 Q75S71-L73 PolarHBondContact O-N 3.34Å; L73-Q75 HydrophobicContact CD2-CG 3.94Å; L73-Q75 PolarHBondContact O-N 3.44Å; L73-Q75 VanDerWaalsContact O-N 3.1Å
74I37.1Very low37.7Very low144 Ų144154 Ų15474%0.73880%0.802SS**  trans-74.7100.4179.4-58.1174.3000109I72 R76I72-I74 PolarHBondContact O-N 3.46Å; I74-R76 PolarHBondContact O-N 3.43Å
75Q34.6Very low37.1Very low167 Ų167154.7 Ų154.778%0.7881%0.805SS**  trans-78.3106.7171.7-63.9-171.912.600109.7L73 K77L73-Q75 HydrophobicContact CD2-CG 3.94Å; L73-Q75 PolarHBondContact O-N 3.44Å; L73-Q75 VanDerWaalsContact O-N 3.1Å; Q75-K77 PolarHBondContact O-N 3.18Å
76R39Very low36.6Very low227 Ų227154.3 Ų154.386%0.85781%0.806SS**PPolyproline II helixtrans-69128.8168.7-68.3-176172.5179.4-2.3109.1I74 K78I74-R76 PolarHBondContact O-N 3.43Å; R76-K78 PolarHBondContact O-N 2.87Å
77K37.4Very low36.1Very low211 Ų211154.4 Ų154.492%0.91780%0.801SS**PPolyproline II helixtrans-53.7122.9177-76.2-173.8175.5-179.70109.5Q75Q75-K77 PolarHBondContact O-N 3.18Å
78K42Very low35.7Very low165 Ų165157.1 Ų157.172%0.71781%0.806SS**PPolyproline II helixtrans-67.5136.3176.8-76.3172.5179.8157.10109.7R76R76-K78 PolarHBondContact O-N 2.87Å
79P42.2Very low35.6Very low112 Ų112156.5 Ų156.573%0.72781%0.807SS**PPolyproline II helixtrans-65.3138171.726.3-31.1000110.1N81P79-N81 PolarHBondContact O-N 3.13Å
80W30.3Very low35Very low252 Ų252156.8 Ų156.896%0.95581%0.812SS**  trans-7192.4177.7-64.5-20.6000110.4
81N39.9Very low34.6Very low145 Ų145155 Ų15578%0.77581%0.811SS**  trans-111.9106.5161.6-69.7-10.2000107.6P79 A83P79-N81 PolarHBondContact O-N 3.13Å; N81-A83 PolarHBondContact O-N 3.08Å
82T30.9Very low34Very low143 Ų143157.2 Ų157.288%0.87781%0.808SS**  trans-64.597.5173.47.70000108.9V84T82-V84 PolarHBondContact O-N 3.24Å
83A37.9Very low33.5Very low94 Ų94155.1 Ų155.178%0.77780%0.799SS**  trans-73.5115.3171.100000109.2N81 K85N81-A83 PolarHBondContact O-N 3.08Å; A83-K85 PolarHBondContact O-N 3.5Å
84V33.5Very low33Very low143 Ų143157.4 Ų157.487%0.86781%0.806SS**  trans-59.8128.9172.7175.90000109T82T82-V84 PolarHBondContact O-N 3.24Å
85K30.7Very low32.5Very low187 Ų187157.4 Ų157.481%0.81381%0.813SS**  trans-70.9128.4177.2-65179.5176.6-179.20109.6A83A83-K85 PolarHBondContact O-N 3.5Å
86S34.6Very low32.5Very low119 Ų119155 Ų15583%0.83281%0.814SS**  trans-119.9121.9154.852.60000108.8
87D30.4Very low32Very low144 Ų144153.6 Ų153.677%0.7781%0.814SS**  trans-76.1127.2-176.5-70.7-50000111.3
88V28.2Very low31.3Very low117 Ų117150.2 Ų150.271%0.70982%0.816SS**  trans34120.2134.8-169.80000117.6
89K30Very low30.7Very low205 Ų205151.1 Ų151.189%0.89182%0.822SS**  -158.6116.5108.5-80.9-132.3175.6175.70112.2
90E26.5Very low29.9Very low192 Ų192155.3 Ų155.390%0.89783%0.829SS**  trans-62125.2163.8-165.4166.1-158.400109.3
91G27.2Very low30Very low78 Ų78151.4 Ų151.480%0.80483%0.826SS**  trans-136.4112.5-18000000109.3
92H25.4Very low29.3Very low161 Ų161149.5 Ų149.575%0.74582%0.824SS**  trans-85148.8-162.7-152.742.4000112.4
93N26.9Very low29.3Very low114 Ų114147.4 Ų147.461%0.6182%0.815SS**  trans64.2123.4151-57.8-20000120.6
94Q29.4Very low28.8Very low185 Ų185152.2 Ų152.286%0.86481%0.813SS**  174.9145.985.7-84.6-165.217.300110.7
95V25Very low28.7Very low145 Ų145157 Ų15788%0.87982%0.816SS**  trans-62.5125.5172.6173.90000110.6
96S34.5Very low28.9Very low115 Ų115154.3 Ų154.380%0.80481%0.806SS**  trans-137148.515570.40000110.9
97K29.1Very low29Very low199 Ų199154.8 Ų154.887%0.86580%0.803SS**  trans-61150.4-155.6-70.3159.1175.6174.60114.9E99K97-E99 PolarHBondContact O-N 3.11Å; K97-E99 VanDerWaalsContact O-N 3.17Å
98C23.5Very low29.2Very low140 Ų140153 Ų15395%0.94680%0.802SS**  trans-45.7115.1161-56.20000111.3
99E28.7Very low29.5Very low184 Ų184154.3 Ų154.386%0.8681%0.805SS**  trans-122124.9161.2-159.5163.9-157.800108.4K97 L101K97-E99 PolarHBondContact O-N 3.11Å; K97-E99 VanDerWaalsContact O-N 3.17Å; E99-L101 PolarHBondContact O-N 2.69Å
100K25Very low29.6Very low200 Ų200150.4 Ų150.487%0.8780%0.8SS**  trans-60.7124.1179-79.3165.1168.5173.80110
101L32.6Very low30.1Very low170 Ų170148.5 Ų148.589%0.8980%0.795SS**  trans-139.4104149-76.2179.2000110.8E99E99-L101 PolarHBondContact O-N 2.69Å
102S26Very low30.3Very low104 Ų104149.2 Ų149.273%0.72779%0.787SS**  trans20126.1133.7-159.40000119.6
103S29.8Very low30.8Very low100 Ų100146.7 Ų146.770%0.69978%0.783SS**  trans61.1113.9139.460.60000120.6
104R28.5Very low31.3Very low195 Ų195147.3 Ų147.374%0.73679%0.786SS**  49.292.3127.2-165.2177.3179.9-144.64.5115.9E106R104-E106 HydrophobicContact CG-CG 4.04Å; R104-E106 IonicContact CZ-OE1 3.11Å; R104-E106 IonicContact CZ-OE2 3.6Å; R104-E106 VanDerWaalsContact NE-CD 3.26Å; R104-E106 IonicContact NE-OE1 2.83Å; R104-E106 PolarHBondContact NE-OE1 3.35Å; R104-E106 IonicContact NE-OE2 3.67Å; R104-E106 IonicContact NH2-OE1 2.64Å; R104-E106 PolarHBondContact NH2-OE1 2.98Å; R104-E106 IonicContact NH2-OE2 3.17Å; R104-E106 PolarHBondContact NH2-OE2 3.43Å
105R31.8Very low32.2Very low244 Ų244147.1 Ų147.192%0.92178%0.783SS**  trans-103.4100145-78.6-171.6-169.2160.94.1108.1V107R105-V107 PolarHBondContact O-N 3.35Å
106E33.9Very low33Very low130 Ų130147.5 Ų147.561%0.60778%0.78SS**  trans-64.2117.4157.6-72.7174.2167.700107.2R104 S108R104-E106 HydrophobicContact CG-CG 4.04Å; R104-E106 IonicContact CZ-OE1 3.11Å; R104-E106 IonicContact CZ-OE2 3.6Å; R104-E106 VanDerWaalsContact NE-CD 3.26Å; R104-E106 IonicContact NE-OE1 2.83Å; R104-E106 PolarHBondContact NE-OE1 3.35Å; R104-E106 IonicContact NE-OE2 3.67Å; R104-E106 IonicContact NH2-OE1 2.64Å; R104-E106 PolarHBondContact NH2-OE1 2.98Å; R104-E106 IonicContact NH2-OE2 3.17Å; R104-E106 PolarHBondContact NH2-OE2 3.43Å; E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.1Å
107V37.4Very low33.4Very low128 Ų128151 Ų15178%0.77678%0.781SS**  trans-81.192.5165.4-1800000105.5R105 L109R105-V107 PolarHBondContact O-N 3.35Å; V107-L109 PolarHBondContact O-N 3.2Å; V107-L109 VanDerWaalsContact O-N 3.16Å
108S33Very low34.4Very low106 Ų106146.7 Ų146.774%0.74178%0.775SS**  trans-62108.8167.710.20000108.4E106E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.1Å
109L34.6Very low36.1Very low146 Ų146144.4 Ų144.476%0.76476%0.761SS**  trans-66.3126.6160.8-9886.5000107.6V107 I111V107-L109 PolarHBondContact O-N 3.2Å; V107-L109 VanDerWaalsContact O-N 3.16Å; L109-I111 PolarHBondContact O-N 3.5Å
110P32.3Very low37.6Very low122 Ų122139 Ų13979%0.79274%0.738SS**  trans-67.3109.7176.326.3-31.2000109.3S112P110-S112 PolarHBondContact O-N 3.08Å
111I37.1Very low39.3Very low153 Ų153131.8 Ų131.879%0.78571%0.709SS**  trans-69.1100.9165.9-60.6168.5000105.5L109 T113L109-I111 PolarHBondContact O-N 3.5Å; I111-T113 PolarHBondContact O-N 3.33Å
112S32.5Very low41.2Very low93 Ų93132.4 Ų132.465%0.6570%0.699SS**  trans-59.2106.1169.3-175.30000108.2P110 D114P110-S112 PolarHBondContact O-N 3.08Å; S112-D114 PolarHBondContact O-N 3.05Å
113T36.2Very low43.4Very low107 Ų107135.6 Ų135.666%0.65670%0.702SS**  trans-76.668.8173.545.40000109.7I111 K115I111-T113 PolarHBondContact O-N 3.33Å; T113-K115 PolarHBondContact O-N 2.83Å
114D36Very low45.7Very low127 Ų127133 Ų13368%0.67968%0.68SS**  trans-75.880159.7-87-23.6000107.9S112 N116S112-D114 PolarHBondContact O-N 3.05Å; D114-N116 PolarHBondContact O-N 3.26Å
115K48Very low48Very low181 Ų181127 Ų12779%0.78767%0.666SS**THydrogen-bonded Turntrans-64.85.6-178.4-83.2-81-175.7175.30115T113T113-K115 PolarHBondContact O-N 2.83Å
116N41.8Very low50.2Low153 Ų153121.2 Ų121.282%0.81865%0.652SS**THydrogen-bonded Turntrans-118.28.6-170-76.1-7.8000116.4D114 S118D114-N116 PolarHBondContact O-N 3.26Å; N116-S118 VanDerWaalsContact C-N 3.3Å; N116-S118 PolarHBondContact O-N 3.04Å
117K43.9Very low52.7Low189 Ų189123.4 Ų123.482%0.82266%0.655SS**  trans-89.473.7163-70.8-178.1-177.31740109S119K117-S119 PolarHBondContact O-N 2.99Å; K117-S119 VanDerWaalsContact O-N 3.14Å
118S49.5Very low54.8Low108 Ų108120.1 Ų120.176%0.75563%0.633SS**  trans-54.4122.5159.451.30000106.6N116 D120N116-S118 VanDerWaalsContact C-N 3.3Å; N116-S118 PolarHBondContact O-N 3.04Å; S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 PolarHBondContact O-N 2.77Å
119S60.3Low56.9Low92 Ų92119.3 Ų119.364%0.64361%0.614SS**  trans-59.7101.6176.545.60000107K117 L121K117-S119 PolarHBondContact O-N 2.99Å; K117-S119 VanDerWaalsContact O-N 3.14Å; S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 WeakPolarHBondContact O-CG 3.3Å; S119-L121 PolarHBondContact O-N 3.48Å
120D58.5Low58.9Low70 Ų70120 Ų12037%0.37461%0.61SS.*  trans-70.491-176.2-169.90.9000109.1S118 R122S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 PolarHBondContact O-N 2.77Å; D120-R122 PolarHBondContact O-N 3.33Å; D120-R122 VanDerWaalsContact O-N 3.07Å; D120-R122 WeakPolarHBondContact OD1-CB 3.45Å; D120-R122 WeakPolarHBondContact OD1-CD 2.95Å; D120-R122 WeakPolarHBondContact OD1-CG 3.37Å; D120-R122 IonicContact OD1-CZ 3.8Å; D120-R122 PolarHBondContact OD1-N 3.13Å; D120-R122 VanDerWaalsContact OD1-N 3.15Å; D120-R122 IonicContact OD1-NE 2.83Å; D120-R122 PolarHBondContact OD1-NE 2.95Å; D120-R122 IonicContact OD1-NH2 3.91Å; D120-R122 IonicContact OD2-CZ 3.14Å; D120-R122 IonicContact OD2-NE 2.84Å; D120-R122 PolarHBondContact OD2-NE 2.73Å; D120-R122 IonicContact OD2-NH2 2.68Å; D120-R122 PolarHBondContact OD2-NH2 2.74Å
121L61.7Low60.9Low50 Ų50117.2 Ų117.226%0.26259%0.594SS.*G310 helixtrans-736.3179.7-54.6171.2000111.3S119 H123 I124 R129 Q136S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 WeakPolarHBondContact O-CG 3.3Å; S119-L121 PolarHBondContact O-N 3.48Å; L121-H123 PolarHBondContact O-N 3.33Å; L121-I124 HydrophobicContact CB-CD1 4.07Å; L121-I124 HydrophobicContact CB-CG1 4.45Å; L121-I124 HydrophobicContact CD2-CD1 3.39Å; L121-I124 HydrophobicContact CD2-CG1 4.47Å; L121-I124 HydrophobicContact CG-CD1 4.25Å; L121-I124 WeakPolarHBondContact O-CB 3.27Å; L121-I124 PolarHBondContact O-N 3.33Å; L121-R129 PolarHBondContact O-NE 2.66Å; L121-R129 PolarHBondContact O-NH2 2.94Å; L121-Q136 VanDerWaalsContact CD1-NE2 3.32Å
122R71.9Confident62.9Low183 Ų183112.8 Ų112.869%0.69157%0.572SS**G310 helixtrans-57-18.4179-77.5-176.4-72.2-177.9-1114.6D120 R129D120-R122 PolarHBondContact O-N 3.33Å; D120-R122 VanDerWaalsContact O-N 3.07Å; D120-R122 WeakPolarHBondContact OD1-CB 3.45Å; D120-R122 WeakPolarHBondContact OD1-CD 2.95Å; D120-R122 WeakPolarHBondContact OD1-CG 3.37Å; D120-R122 IonicContact OD1-CZ 3.8Å; D120-R122 PolarHBondContact OD1-N 3.13Å; D120-R122 VanDerWaalsContact OD1-N 3.15Å; D120-R122 IonicContact OD1-NE 2.83Å; D120-R122 PolarHBondContact OD1-NE 2.95Å; D120-R122 IonicContact OD1-NH2 3.91Å; D120-R122 IonicContact OD2-CZ 3.14Å; D120-R122 IonicContact OD2-NE 2.84Å; D120-R122 PolarHBondContact OD2-NE 2.73Å; D120-R122 IonicContact OD2-NH2 2.68Å; D120-R122 PolarHBondContact OD2-NH2 2.74Å; R122-R129 VanDerWaalsContact CA-NH2 3.26Å; R122-R129 PolarHBondContact O-NH2 3.12Å
123H73.1Confident64.9Low171 Ų171114.7 Ų114.779%0.79257%0.568SS**G310 helixtrans-89.5-9.8175.2-58.7-61.8000114.4L121L121-H123 PolarHBondContact O-N 3.33Å
124I76.8Confident66.6Low44 Ų44116.8 Ų116.823%0.22657%0.569CS.*SBendtrans-84.4137.8-176.4-60.5-175.9000110.7L121 L128 R129L121-I124 HydrophobicContact CB-CD1 4.07Å; L121-I124 HydrophobicContact CB-CG1 4.45Å; L121-I124 HydrophobicContact CD2-CD1 3.39Å; L121-I124 HydrophobicContact CD2-CG1 4.47Å; L121-I124 HydrophobicContact CG-CD1 4.25Å; L121-I124 WeakPolarHBondContact O-CB 3.27Å; L121-I124 PolarHBondContact O-N 3.33Å; I124-L128 HydrophobicContact CG2-CB 3.73Å; I124-L128 HydrophobicContact CG2-CD2 3.7Å; I124-L128 HydrophobicContact CG2-CG 3.94Å; I124-R129 HydrophobicContact CB-CG 3.96Å; I124-R129 HydrophobicContact CG2-CG 3.9Å; I124-R129 PolarHBondContact O-NE 3.48Å; I124-R129 PolarHBondContact O-NH2 3.04Å
125P77.5Confident68.3Low70 Ų70114.1 Ų114.146%0.45556%0.557SS.*  trans-53143.4172.6-2835.7000113.5W127 L128 R129P125-W127 VanDerWaalsContact C-N 3.26Å; P125-W127 HydrophobicContact CB-CG 4.49Å; P125-W127 PolarHBondContact O-N 3.17Å; P125-L128 PolarHBondContact O-N 3.49Å; P125-R129 PolarHBondContact O-N 3.2Å; P125-R129 VanDerWaalsContact O-N 3.08Å
126I79Confident69.4Low122 Ų122109 Ų10963%0.62654%0.535SS*.Hα-helixtrans-56.6-39.2-174-62.3168.7000112.1L128 R129 K130I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 2.94Å; I126-R129 PolarHBondContact O-N 2.94Å; I126-K130 HydrophobicContact CG2-CD 4.47Å; I126-K130 WeakPolarHBondContact O-CG 2.69Å; I126-K130 PolarHBondContact O-N 3.23Å
127W85.7Confident70.8Confident176 Ų176104.9 Ų104.967%0.66751%0.513SS*.Hα-helixtrans-63.1-40.6179.870.7-97.5000111.9P125 K130 S131P125-W127 VanDerWaalsContact C-N 3.26Å; P125-W127 HydrophobicContact CB-CG 4.49Å; P125-W127 PolarHBondContact O-N 3.17Å; W127-K130 WeakPolarHBondContact O-CB 2.89Å; W127-K130 PolarHBondContact O-N 3Å; W127-S131 PolarHBondContact O-N 3.15Å; W127-S131 PolarHBondContact O-OG 3.3Å
128L80.5Confident71.8Confident59 Ų5999.3 Ų99.331%0.30950%0.497SS..Hα-helixtrans-73.8-34.1-179.8-171.368.2000111I124 P125 I126 K130 S131 L132I124-L128 HydrophobicContact CG2-CB 3.73Å; I124-L128 HydrophobicContact CG2-CD2 3.7Å; I124-L128 HydrophobicContact CG2-CG 3.94Å; P125-L128 PolarHBondContact O-N 3.49Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 2.94Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-S131 WeakPolarHBondContact CA-OG 3.41Å; L128-S131 PolarHBondContact O-N 2.94Å; L128-S131 PolarHBondContact O-OG 2.92Å; L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 3.96Å; L128-L132 HydrophobicContact CG-CG 4.44Å; L128-L132 VanDerWaalsContact O-CB 3.29Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 VanDerWaalsContact O-CG 3.23Å; L128-L132 WeakPolarHBondContact O-CG 3.3Å; L128-L132 PolarHBondContact O-N 2.92Å
129R76.9Confident72.7Confident90 Ų90102.5 Ų102.534%0.3450%0.498SS..Hα-helixtrans-62.3-41168.8-65.3-170.4-147.1175.26.8111.8L121 R122 I124 P125 I126 L132 K133L121-R129 PolarHBondContact O-NE 2.66Å; L121-R129 PolarHBondContact O-NH2 2.94Å; R122-R129 VanDerWaalsContact CA-NH2 3.26Å; R122-R129 PolarHBondContact O-NH2 3.12Å; I124-R129 HydrophobicContact CB-CG 3.96Å; I124-R129 HydrophobicContact CG2-CG 3.9Å; I124-R129 PolarHBondContact O-NE 3.48Å; I124-R129 PolarHBondContact O-NH2 3.04Å; P125-R129 PolarHBondContact O-N 3.2Å; P125-R129 VanDerWaalsContact O-N 3.08Å; I126-R129 PolarHBondContact O-N 2.94Å; R129-L132 PolarHBondContact O-N 3.38Å; R129-K133 WeakPolarHBondContact O-CB 3.45Å; R129-K133 PolarHBondContact O-N 2.96Å
130K76.9Confident73.3Confident159 Ų159104.8 Ų104.869%0.69150%0.503SS*.Hα-helixtrans-62.9-43.8177.3-76.8-178.6178.1-176.10111.7I126 W127 L128 K133I126-K130 HydrophobicContact CG2-CD 4.47Å; I126-K130 WeakPolarHBondContact O-CG 2.69Å; I126-K130 PolarHBondContact O-N 3.23Å; W127-K130 WeakPolarHBondContact O-CB 2.89Å; W127-K130 PolarHBondContact O-N 3Å; L128-K130 VanDerWaalsContact C-N 3.33Å; K130-K133 PolarHBondContact O-N 3.31Å
131S75.8Confident73.8Confident64 Ų64108 Ų10845%0.44852%0.515SS..Hα-helixtrans-68.9-37.8178.261.20000112.5W127 L128 K133W127-S131 PolarHBondContact O-N 3.15Å; W127-S131 PolarHBondContact O-OG 3.3Å; L128-S131 WeakPolarHBondContact CA-OG 3.41Å; L128-S131 PolarHBondContact O-N 2.94Å; L128-S131 PolarHBondContact O-OG 2.92Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 3.46Å
132L77.4Confident74.2Confident60 Ų60112.5 Ų112.531%0.31454%0.539SS..Hα-helixtrans-73.9-21.8178.1-72170.8000113.2L128 R129 F134 V135 Q136L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 3.96Å; L128-L132 HydrophobicContact CG-CG 4.44Å; L128-L132 VanDerWaalsContact O-CB 3.29Å; L128-L132 WeakPolarHBondContact O-CB 3.38Å; L128-L132 VanDerWaalsContact O-CG 3.23Å; L128-L132 WeakPolarHBondContact O-CG 3.3Å; L128-L132 PolarHBondContact O-N 2.92Å; R129-L132 PolarHBondContact O-N 3.38Å; L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.32Å; L132-V135 PolarHBondContact O-N 3.48Å; L132-Q136 WeakPolarHBondContact O-CB 3.27Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 2.92Å
133K75.8Confident74.2Confident134 Ų134108.8 Ų108.858%0.58354%0.539SS*.Hα-helixtrans-59.6-38.5-178.2-158.8177-176-175.60112.2R129 K130 S131 Q136 N137R129-K133 WeakPolarHBondContact O-CB 3.45Å; R129-K133 PolarHBondContact O-N 2.96Å; K130-K133 PolarHBondContact O-N 3.31Å; S131-K133 VanDerWaalsContact C-N 3.31Å; S131-K133 PolarHBondContact O-N 3.46Å; K133-Q136 PolarHBondContact O-N 3.21Å; K133-N137 WeakPolarHBondContact O-CB 3.18Å; K133-N137 PolarHBondContact O-N 2.75Å; K133-N137 PolarHBondContact O-OD1 3.48Å; K133-N137 VanDerWaalsContact O-OD1 3.11Å
134F71.1Confident73.9Confident151 Ų151106.3 Ų106.366%0.66254%0.538SS*.Hα-helixtrans-64.5-46.6176.6-176-96.9000111.7L132 Q136 N137 C138L132-F134 VanDerWaalsContact C-N 3.28Å; L132-F134 PolarHBondContact O-N 3.32Å; F134-Q136 PolarHBondContact O-N 3.43Å; F134-N137 WeakPolarHBondContact O-CB 3.18Å; F134-N137 PolarHBondContact O-N 2.88Å; F134-C138 PolarHBondContact O-N 3.11Å; F134-C138 VanDerWaalsContact O-N 3.16Å; F134-C138 PolarHBondContact O-SG 3.27Å; F134-C138 VanDerWaalsContact O-SG 3.32Å
135V72.9Confident72.8Confident70 Ų70113.2 Ų113.242%0.42457%0.567SS.*Hα-helixtrans-64.1-42.7178.7179.30000110.8L132 N137 C138 F139L132-V135 PolarHBondContact O-N 3.48Å; V135-N137 VanDerWaalsContact C-N 3.35Å; V135-C138 WeakPolarHBondContact O-CB 3.21Å; V135-C138 PolarHBondContact O-N 2.94Å; V135-F139 HydrophobicContact CG1-CD2 4.14Å; V135-F139 HydrophobicContact CG1-CE2 3.65Å; V135-F139 WeakPolarHBondContact O-CD2 3.5Å; V135-F139 PolarHBondContact O-N 2.72Å
136Q69.8Low72Confident73 Ų73117.3 Ų117.334%0.34158%0.584SS.*Hα-helixtrans-63.8-38.8175.6-76.9179.7-14.700112.4L121 L132 K133 F134 C138 F139 L140L121-Q136 VanDerWaalsContact CD1-NE2 3.32Å; L132-Q136 WeakPolarHBondContact O-CB 3.27Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 2.92Å; K133-Q136 PolarHBondContact O-N 3.21Å; F134-Q136 PolarHBondContact O-N 3.43Å; Q136-C138 VanDerWaalsContact C-N 3.28Å; Q136-C138 PolarHBondContact O-N 3.14Å; Q136-F139 PolarHBondContact O-N 3.17Å; Q136-F139 VanDerWaalsContact O-N 3.09Å; Q136-L140 WeakPolarHBondContact O-CG 3.37Å; Q136-L140 PolarHBondContact O-N 3Å
137N72.4Confident70.4Confident67 Ų67116.8 Ų116.836%0.35859%0.586SS.*Hα-helixtrans-60-40174.9-71.9-0.6000111.1K133 F134 V135 F139 L140 E141K133-N137 WeakPolarHBondContact O-CB 3.18Å; K133-N137 PolarHBondContact O-N 2.75Å; K133-N137 PolarHBondContact O-OD1 3.48Å; K133-N137 VanDerWaalsContact O-OD1 3.11Å; F134-N137 WeakPolarHBondContact O-CB 3.18Å; F134-N137 PolarHBondContact O-N 2.88Å; V135-N137 VanDerWaalsContact C-N 3.35Å; N137-F139 PolarHBondContact O-N 3.15Å; N137-L140 PolarHBondContact O-N 3.38Å; N137-L140 VanDerWaalsContact O-N 3.12Å; N137-E141 WeakPolarHBondContact O-CB 3.5Å; N137-E141 WeakPolarHBondContact O-CG 3.47Å; N137-E141 PolarHBondContact O-N 2.67Å
138C63.4Low68.5Low72 Ų72114.8 Ų114.849%0.48659%0.589SS.*Hα-helixtrans-63.1-23176.2-610000114.2F134 V135 Q136F134-C138 PolarHBondContact O-N 3.11Å; F134-C138 VanDerWaalsContact O-N 3.16Å; F134-C138 PolarHBondContact O-SG 3.27Å; F134-C138 VanDerWaalsContact O-SG 3.32Å; V135-C138 WeakPolarHBondContact O-CB 3.21Å; V135-C138 PolarHBondContact O-N 2.94Å; Q136-C138 VanDerWaalsContact C-N 3.28Å; Q136-C138 PolarHBondContact O-N 3.14Å
139F68.7Low66.8Low175 Ų175118 Ų11877%0.76861%0.606SS**Hα-helixtrans-95.5-15.1176-68.4-69.6000113.5V135 Q136 N137V135-F139 HydrophobicContact CG1-CD2 4.14Å; V135-F139 HydrophobicContact CG1-CE2 3.65Å; V135-F139 WeakPolarHBondContact O-CD2 3.5Å; V135-F139 PolarHBondContact O-N 2.72Å; Q136-F139 PolarHBondContact O-N 3.17Å; Q136-F139 VanDerWaalsContact O-N 3.09Å; N137-F139 PolarHBondContact O-N 3.15Å
140L72.7Confident65.1Low141 Ų141121.6 Ų121.674%0.73863%0.625SS**Hα-helixtrans-91.3-32.2174.7-72.4170000111.9Q136 N137Q136-L140 WeakPolarHBondContact O-CG 3.37Å; Q136-L140 PolarHBondContact O-N 3Å; N137-L140 PolarHBondContact O-N 3.38Å; N137-L140 VanDerWaalsContact O-N 3.12Å
141E70.1Confident63.4Low138 Ų138118.5 Ų118.565%0.64562%0.621SS**SBendtrans-69136.1171.4-73.1178.2-17400109.7N137N137-E141 WeakPolarHBondContact O-CB 3.5Å; N137-E141 WeakPolarHBondContact O-CG 3.47Å; N137-E141 PolarHBondContact O-N 2.67Å
142D70.1Confident61.7Low143 Ų143123.6 Ų123.677%0.76564%0.637SS**PPolyproline II helixtrans-53.6138.1173.6-75.8-34.4000109
143P71.8Confident59.7Low105 Ų105127.3 Ų127.368%0.68266%0.657SS**PPolyproline II helixtrans-52.7139.4177.922.5-32.6000109.1K145P143-K145 PolarHBondContact O-N 2.95Å
144P66.4Low58.3Low120 Ų120125 Ų12578%0.77966%0.664SS**PPolyproline II helixtrans-52.8120.818019.7-30.4000108.5L146P144-L146 PolarHBondContact O-N 3.17Å
145K54.5Low56.8Low189 Ų189125 Ų12582%0.82267%0.671SS**  trans-55.8115.7178.2-73.4177.3-178.6174.10107.3P143 T147P143-K145 PolarHBondContact O-N 2.95Å; K145-T147 VanDerWaalsContact C-N 3.3Å; K145-T147 PolarHBondContact O-N 2.87Å
146L61.3Low54.9Low156 Ų156130.9 Ų130.982%0.81769%0.691SS**  trans-64.796.4168.7-60.9173.3000106.1P144 D148P144-L146 PolarHBondContact O-N 3.17Å; L146-D148 PolarHBondContact O-N 3.3Å
147T43.5Very low53.3Low110 Ų110136.3 Ų136.368%0.67572%0.716SS**  trans-67.7104.1165.226.60000106.7K145 D149K145-T147 VanDerWaalsContact C-N 3.3Å; K145-T147 PolarHBondContact O-N 2.87Å; T147-D149 PolarHBondContact O-N 2.84Å
148D46.2Very low51.5Low134 Ų134140.9 Ų140.972%0.71774%0.74SS**  trans-6660.5164.8-81.8-29.3000109.5L146 F150L146-D148 PolarHBondContact O-N 3.3Å; D148-F150 PolarHBondContact O-N 2.79Å
149D45.4Very low50.1Low127 Ų127140.6 Ų140.668%0.67975%0.749SS**  trans-72.81.4165.8-73.5-26.4000111.3T147 P151T147-D149 PolarHBondContact O-N 2.84Å; D149-P151 WeakPolarHBondContact O-CD 3.36Å
150F40.2Very low49.1Very low165 Ų165140 Ų14072%0.72475%0.754SS**SBendtrans-112.387163.7-67.4-78.5000109D148 H152D148-F150 PolarHBondContact O-N 2.79Å; F150-H152 VanDerWaalsContact C-N 3.34Å; F150-H152 PolarHBondContact O-N 2.75Å
151P41.3Very low47.7Very low95 Ų95137.8 Ų137.862%0.61776%0.756SS**  trans-61.1104168.625.6-31.7000107.3D149 N153D149-P151 WeakPolarHBondContact O-CD 3.36Å; P151-N153 PolarHBondContact O-N 3.2Å
152H41Very low46.7Very low171 Ų171136 Ų13679%0.79276%0.757SS**  trans-66.176.5165.1-76.4-67000108F150 A154F150-H152 VanDerWaalsContact C-N 3.34Å; F150-H152 PolarHBondContact O-N 2.75Å; H152-A154 PolarHBondContact O-N 3.38Å
153N35.2Very low46Very low137 Ų137134 Ų13473%0.73375%0.751SS**  trans-6777.8159.2-83.2-32.8000107P151 N155P151-N153 PolarHBondContact O-N 3.2Å; N153-N155 PolarHBondContact O-N 3.09Å
154A45.7Very low45.4Very low87 Ų87135.4 Ų135.472%0.71975%0.753SS**  trans-66.96.1-178.700000113.7H152H152-A154 PolarHBondContact O-N 3.38Å
155N40.1Very low45.7Very low151 Ų151133.3 Ų133.381%0.80774%0.738SS**  trans-142.567.9179.3-68.7-45.8000110.2N153N153-N155 PolarHBondContact O-N 3.09Å
156K33.7Very low46.7Very low193 Ų193132.1 Ų132.184%0.83973%0.733SS**  trans-144.1113.2141.4-73.5-139.2172.7-142.80110D158K156-D158 PolarHBondContact O-N 2.89Å
157E35Very low47.5Very low186 Ų186132.6 Ų132.687%0.86973%0.729SS**  trans-38.7114.9150.5-66.5165.4139.400108.9
158D35.3Very low49.2Very low164 Ų164130.4 Ų130.488%0.87772%0.715SS**  trans-174.4134.1138.5-85.9-32.2000108.4K156K156-D158 PolarHBondContact O-N 2.89Å
159G34.4Very low50.8Low65 Ų65127.2 Ų127.267%0.6770%0.7SS**  trans-73.2171-153.700000117.8
160N46.6Very low52.4Low164 Ų164126 Ų12688%0.87769%0.69SS**  trans107.825.4157.8-54.2-28.7000118.6
161A44.2Very low54.4Low93 Ų93125.7 Ų125.777%0.76969%0.688SS**  trans-94.5107.7150.800000108.3
162P49.2Very low56.2Low102 Ų102124.2 Ų124.266%0.66268%0.68SS**  trans-61127.9-179.922-29.1000108.7N164P162-N164 PolarHBondContact O-N 3.03Å
163P54.3Low58Low99 Ų99121.8 Ų121.864%0.64367%0.672SS**  trans-56137.3-176.820.9-31.3000109.1T165P163-T165 PolarHBondContact O-N 2.7Å; P163-T165 PolarHBondContact O-OG1 3.24Å
164N60.5Low60.2Low136 Ų136122.4 Ų122.473%0.72767%0.669SS**  trans-61.271.6-178.3-156.67.2000110.3P162 V169P162-N164 PolarHBondContact O-N 3.03Å; N164-V169 VanDerWaalsContact OD1-CG2 3.27Å; N164-V169 WeakPolarHBondContact OD1-CG2 3.23Å
165T71.9Confident61.7Low75 Ų75121 Ų12146%0.4665%0.654SS.*  trans-83.4149.3-176.517.10000107.4P163 K167 V168 V169P163-T165 PolarHBondContact O-N 2.7Å; P163-T165 PolarHBondContact O-OG1 3.24Å; T165-K167 PolarHBondContact O-N 2.98Å; T165-V168 WeakPolarHBondContact O-CA 3.19Å; T165-V168 WeakPolarHBondContact O-CB 3.42Å; T165-V168 PolarHBondContact O-N 3.37Å; T165-V169 PolarHBondContact O-N 3.05Å
166F74.7Confident63.3Low165 Ų165116.5 Ų116.572%0.72464%0.638SS**Hα-helixtrans-46.8-34.2175.4179.5-99000112.8V168 V169 H170F166-V168 PolarHBondContact O-N 3.44Å; F166-V169 PolarHBondContact O-N 3.29Å; F166-H170 HydrophobicContact CE1-CB 4.37Å; F166-H170 WeakPolarHBondContact O-CB 3.35Å; F166-H170 PolarHBondContact O-N 2.85Å
167K79.9Confident65.2Low166 Ų166115.1 Ų115.172%0.72263%0.631SS**Hα-helixtrans-62.1-37.8174.6-70.2-176.9179.41780113.9T165 K171T165-K167 PolarHBondContact O-N 2.98Å; K167-K171 WeakPolarHBondContact O-CB 3.34Å; K167-K171 VanDerWaalsContact O-CG 3.31Å; K167-K171 WeakPolarHBondContact O-CG 3.37Å; K167-K171 PolarHBondContact O-N 3.41Å
168V78Confident67Low63 Ų63110 Ų11038%0.38262%0.621SS.*Hα-helixtrans-70.8-46.7178.1-179.50000109.9T165 F166 K171 S172T165-V168 WeakPolarHBondContact O-CA 3.19Å; T165-V168 WeakPolarHBondContact O-CB 3.42Å; T165-V168 PolarHBondContact O-N 3.37Å; F166-V168 PolarHBondContact O-N 3.44Å; V168-K171 PolarHBondContact O-N 3.27Å; V168-S172 PolarHBondContact O-N 2.98Å; V168-S172 PolarHBondContact O-OG 2.99Å
169V79.6Confident68.7Low67 Ų67108.2 Ų108.241%0.40661%0.612SS.*Hα-helixtrans-64.6-41.3177.4-178.70000111.7N164 T165 F166 S172 L173N164-V169 VanDerWaalsContact OD1-CG2 3.27Å; N164-V169 WeakPolarHBondContact OD1-CG2 3.23Å; T165-V169 PolarHBondContact O-N 3.05Å; F166-V169 PolarHBondContact O-N 3.29Å; V169-S172 WeakPolarHBondContact CA-OG 3.47Å; V169-S172 PolarHBondContact O-N 3.42Å; V169-S172 PolarHBondContact O-OG 3.38Å; V169-L173 WeakPolarHBondContact O-CB 3.45Å; V169-L173 PolarHBondContact O-N 3.24Å
170H79.4Confident70.4Confident102 Ų102109.1 Ų109.147%0.47260%0.6SS.*Hα-helixtrans-66.9-38.4177.2-176.5-88.7000111.8F166 K174F166-H170 HydrophobicContact CE1-CB 4.37Å; F166-H170 WeakPolarHBondContact O-CB 3.35Å; F166-H170 PolarHBondContact O-N 2.85Å; H170-K174 WeakPolarHBondContact O-CB 3.44Å; H170-K174 PolarHBondContact O-N 3.06Å
171K81.6Confident71.2Confident158 Ų158106.9 Ų106.969%0.68760%0.595SS**Hα-helixtrans-65.1-41.8172.8-80.3-176.8178.1-1730111.7K167 V168 K174 S175K167-K171 WeakPolarHBondContact O-CB 3.34Å; K167-K171 VanDerWaalsContact O-CG 3.31Å; K167-K171 WeakPolarHBondContact O-CG 3.37Å; K167-K171 PolarHBondContact O-N 3.41Å; V168-K171 PolarHBondContact O-N 3.27Å; K171-K174 PolarHBondContact O-N 3.34Å; K171-S175 PolarHBondContact O-N 3.47Å; K171-S175 PolarHBondContact O-OG 3.39Å
172S78.9Confident72.1Confident64 Ų64105.4 Ų105.445%0.44857%0.574SS.*Hα-helixtrans-65.6-39.4177.769.20000112V168 V169 S175 A176V168-S172 PolarHBondContact O-N 2.98Å; V168-S172 PolarHBondContact O-OG 2.99Å; V169-S172 WeakPolarHBondContact CA-OG 3.47Å; V169-S172 PolarHBondContact O-N 3.42Å; V169-S172 PolarHBondContact O-OG 3.38Å; S172-S175 VanDerWaalsContact CA-OG 3.3Å; S172-S175 WeakPolarHBondContact CA-OG 3.32Å; S172-S175 PolarHBondContact O-N 3.1Å; S172-S175 PolarHBondContact O-OG 3.14Å; S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 3.38Å
173L80.4Confident72.9Confident120 Ų120105.2 Ų105.263%0.62857%0.567SS**Hα-helixtrans-65.9-40.6174.8-160.3105000111.6V169 A176 K177V169-L173 WeakPolarHBondContact O-CB 3.45Å; V169-L173 PolarHBondContact O-N 3.24Å; L173-A176 PolarHBondContact O-N 3.23Å; L173-K177 WeakPolarHBondContact O-CB 3.25Å; L173-K177 PolarHBondContact O-N 3.35Å
174K81.1Confident73.6Confident150 Ų150105.3 Ų105.365%0.65256%0.562SS**Hα-helixtrans-65-39.2175.9-167.7175.7-178.3179.70111.7H170 K171 A178H170-K174 WeakPolarHBondContact O-CB 3.44Å; H170-K174 PolarHBondContact O-N 3.06Å; K171-K174 PolarHBondContact O-N 3.34Å; K174-A178 PolarHBondContact O-N 3.31Å; K174-A178 VanDerWaalsContact O-N 3.08Å
175S76.3Confident73.8Confident59 Ų59104.9 Ų104.941%0.41356%0.555SS.*Hα-helixtrans-68.4-37.2172.251.10000112.6K171 S172 A178 N179K171-S175 PolarHBondContact O-N 3.47Å; K171-S175 PolarHBondContact O-OG 3.39Å; S172-S175 VanDerWaalsContact CA-OG 3.3Å; S172-S175 WeakPolarHBondContact CA-OG 3.32Å; S172-S175 PolarHBondContact O-N 3.1Å; S172-S175 PolarHBondContact O-OG 3.14Å; S175-A178 PolarHBondContact O-N 2.9Å; S175-N179 WeakPolarHBondContact O-CB 3.49Å; S175-N179 PolarHBondContact O-N 3.29Å; S175-N179 PolarHBondContact O-ND2 3.04Å; S175-N179 PolarHBondContact O-OD1 3.46Å
176A75.4Confident73.7Confident56 Ų56105.9 Ų105.946%0.46356%0.555SS.*Hα-helixtrans-65.3-40.5176.400000111.6S172 L173 N179 I180S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 3.38Å; L173-A176 PolarHBondContact O-N 3.23Å; A176-N179 PolarHBondContact O-N 3.34Å; A176-I180 PolarHBondContact O-N 3.34Å
177K72.3Confident73.4Confident163 Ų163100.8 Ų100.871%0.70954%0.535SS*.Hα-helixtrans-63.3-39.6173-174.5176.5179.2177.40112.2L173 N179 I180L173-K177 WeakPolarHBondContact O-CB 3.25Å; L173-K177 PolarHBondContact O-N 3.35Å; K177-N179 VanDerWaalsContact C-N 3.27Å; K177-N179 PolarHBondContact O-N 3.26Å; K177-I180 PolarHBondContact O-N 3.14Å
178A73.7Confident73Confident80 Ų8097.7 Ų97.766%0.66152%0.522SS*.Hα-helixtrans-70.6-23.9175.900000113.1K174 S175K174-A178 PolarHBondContact O-N 3.31Å; K174-A178 VanDerWaalsContact O-N 3.08Å; S175-A178 PolarHBondContact O-N 2.9Å
179N71.3Confident72.6Confident126 Ų12697.6 Ų97.667%0.67452%0.524SS*.THydrogen-bonded Turntrans-86.60.2177.5-73-11.6000113.7S175 A176 K177 P181S175-N179 WeakPolarHBondContact O-CB 3.49Å; S175-N179 PolarHBondContact O-N 3.29Å; S175-N179 PolarHBondContact O-ND2 3.04Å; S175-N179 PolarHBondContact O-OD1 3.46Å; A176-N179 PolarHBondContact O-N 3.34Å; K177-N179 VanDerWaalsContact C-N 3.27Å; K177-N179 PolarHBondContact O-N 3.26Å; N179-P181 WeakPolarHBondContact O-CD 3.41Å
180I68.7Low72.3Confident83 Ų83100.7 Ų100.743%0.42653%0.531SS..  trans-73104.6167.7-59.1173.8000105.4A176 K177 D182 I187A176-I180 PolarHBondContact O-N 3.34Å; K177-I180 PolarHBondContact O-N 3.14Å; I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 PolarHBondContact O-N 3.12Å; I180-I187 HydrophobicContact CG2-CD1 4.28Å
181P64.2Low72.1Confident118 Ų118101.3 Ų101.377%0.76654%0.538SS*.  trans-80-15.6-16932.1-28.9000112.4N179N179-P181 WeakPolarHBondContact O-CD 3.41Å
182D62.5Low71.5Confident62 Ų6295.4 Ų95.433%0.33252%0.522SS..SBendtrans-102.2127.8-174.4-65.90.1000108.3I180 L184 I187 K190I180-D182 VanDerWaalsContact C-N 3.28Å; I180-D182 PolarHBondContact O-N 3.12Å; D182-L184 PolarHBondContact O-N 3.41Å; D182-L184 VanDerWaalsContact O-N 3.15Å; D182-I187 HydrophobicContact CB-CD1 3.97Å; D182-I187 HydrophobicContact CB-CG1 3.7Å; D182-K190 IonicContact OD2-NZ 3.9Å
183N67Low71.1Confident97 Ų9795.5 Ų95.552%0.51952%0.517SS..  trans-47.9127.1168.8-172.37.6000107E185 E186 I187N183-E185 PolarHBondContact ND2-OE2 2.91Å; N183-E185 PolarHBondContact O-N 3.48Å; N183-E186 HydrophobicContact CB-CB 4.45Å; N183-E186 WeakPolarHBondContact O-CA 3.23Å; N183-E186 WeakPolarHBondContact O-CB 3.42Å; N183-E186 PolarHBondContact O-N 2.98Å; N183-I187 PolarHBondContact O-N 3.47Å
184L67.9Low70.6Confident101 Ų10195 Ų9553%0.52951%0.511SS..Hα-helixtrans-52.4-36.1-176-75.3168.3000110.4D182 E186 I187 F188D182-L184 PolarHBondContact O-N 3.41Å; D182-L184 VanDerWaalsContact O-N 3.15Å; L184-E186 PolarHBondContact O-N 3.2Å; L184-I187 WeakPolarHBondContact O-CB 3.49Å; L184-I187 PolarHBondContact O-N 2.79Å; L184-I187 VanDerWaalsContact O-N 3.17Å; L184-F188 HydrophobicContact CB-CD2 4.3Å; L184-F188 HydrophobicContact CB-CE2 4.08Å; L184-F188 WeakPolarHBondContact O-CD2 3.35Å; L184-F188 PolarHBondContact O-N 3Å
185E65.5Low70.2Confident127 Ų12794 Ų9459%0.59351%0.509SS*.Hα-helixtrans-56.5-42.7173-73155.6175.100112.8N183 I187 F188 S189N183-E185 PolarHBondContact ND2-OE2 2.91Å; N183-E185 PolarHBondContact O-N 3.48Å; E185-I187 VanDerWaalsContact C-N 3.34Å; E185-I187 PolarHBondContact O-N 2.89Å; E185-F188 PolarHBondContact O-N 3.26Å; E185-S189 PolarHBondContact O-N 3.31Å; E185-S189 PolarHBondContact O-OG 3.49Å
186E69Low70.1Confident96 Ų9698.7 Ų98.745%0.44952%0.518SS..Hα-helixtrans-67.5-34.9177.1-160.9-170.7148.600111.9N183 L184 S189 K190N183-E186 HydrophobicContact CB-CB 4.45Å; N183-E186 WeakPolarHBondContact O-CA 3.23Å; N183-E186 WeakPolarHBondContact O-CB 3.42Å; N183-E186 PolarHBondContact O-N 2.98Å; L184-E186 PolarHBondContact O-N 3.2Å; E186-S189 PolarHBondContact O-N 3.36Å; E186-K190 WeakPolarHBondContact O-CB 3.34Å; E186-K190 VanDerWaalsContact O-CG 3.32Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-K190 PolarHBondContact O-N 3.39Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; E186-K190 IonicContact OE1-NZ 3.61Å; E186-K190 PolarHBondContact OE1-NZ 2.75Å
187I69.7Low69.9Low58 Ų58100.2 Ų100.230%0.29752%0.518SS..Hα-helixtrans-65.2-43.7171.9-56.7177.6000109.8I180 D182 N183 L184 E185 K190 L191I180-I187 HydrophobicContact CG2-CD1 4.28Å; D182-I187 HydrophobicContact CB-CD1 3.97Å; D182-I187 HydrophobicContact CB-CG1 3.7Å; N183-I187 PolarHBondContact O-N 3.47Å; L184-I187 WeakPolarHBondContact O-CB 3.49Å; L184-I187 PolarHBondContact O-N 2.79Å; L184-I187 VanDerWaalsContact O-N 3.17Å; E185-I187 VanDerWaalsContact C-N 3.34Å; E185-I187 PolarHBondContact O-N 2.89Å; I187-K190 PolarHBondContact O-N 3.33Å; I187-L191 HydrophobicContact CG2-CD1 3.91Å; I187-L191 HydrophobicContact CG2-CG 4.41Å; I187-L191 WeakPolarHBondContact O-CB 3.45Å; I187-L191 VanDerWaalsContact O-CG 3.25Å; I187-L191 WeakPolarHBondContact O-CG 3.47Å; I187-L191 PolarHBondContact O-N 3.21Å
188F69.7Low69.9Low102 Ų10299.2 Ų99.245%0.44751%0.513SS..Hα-helixtrans-63.1-40.9176.8-75.2-65.7000112.2L184 E185 L191 G192 L193L184-F188 HydrophobicContact CB-CD2 4.3Å; L184-F188 HydrophobicContact CB-CE2 4.08Å; L184-F188 WeakPolarHBondContact O-CD2 3.35Å; L184-F188 PolarHBondContact O-N 3Å; E185-F188 PolarHBondContact O-N 3.26Å; F188-L191 PolarHBondContact O-N 2.84Å; F188-G192 PolarHBondContact O-N 3.22Å; F188-L193 HydrophobicContact CD1-CD1 3.57Å; F188-L193 HydrophobicContact CE1-CD1 4.02Å; F188-L193 PolarHBondContact O-N 3.07Å
189S70.1Confident69.8Low61 Ų61100.8 Ų100.843%0.42751%0.507SS..Hα-helixtrans-67-41.4174.5-51.30000111.7E185 E186 L191 G192 E194E185-S189 PolarHBondContact O-N 3.31Å; E185-S189 PolarHBondContact O-OG 3.49Å; E186-S189 PolarHBondContact O-N 3.36Å; S189-L191 VanDerWaalsContact C-N 3.28Å; S189-L191 PolarHBondContact O-N 2.87Å; S189-G192 PolarHBondContact O-N 2.83Å; S189-G192 VanDerWaalsContact O-N 3.12Å; S189-E194 PolarHBondContact OG-OE1 2.83Å
190K73.7Confident69.7Low131 Ų131101.7 Ų101.757%0.5750%0.502SS*.Hα-helixtrans-62.9-32.3174.3-79.2173.4-172.5159.50112.8D182 E186 I187 G192D182-K190 IonicContact OD2-NZ 3.9Å; E186-K190 WeakPolarHBondContact O-CB 3.34Å; E186-K190 VanDerWaalsContact O-CG 3.32Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-K190 PolarHBondContact O-N 3.39Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; E186-K190 IonicContact OE1-NZ 3.61Å; E186-K190 PolarHBondContact OE1-NZ 2.75Å; I187-K190 PolarHBondContact O-N 3.33Å; K190-G192 VanDerWaalsContact C-N 3.26Å; K190-G192 PolarHBondContact O-N 2.92Å
191L74.6Confident69.9Low115 Ų115103.4 Ų103.460%0.60251%0.508SS*.THydrogen-bonded Turntrans-79-5.6177.1-71.4170.6000113.4I187 F188 S189 L193I187-L191 HydrophobicContact CG2-CD1 3.91Å; I187-L191 HydrophobicContact CG2-CG 4.41Å; I187-L191 WeakPolarHBondContact O-CB 3.45Å; I187-L191 VanDerWaalsContact O-CG 3.25Å; I187-L191 WeakPolarHBondContact O-CG 3.47Å; I187-L191 PolarHBondContact O-N 3.21Å; F188-L191 PolarHBondContact O-N 2.84Å; S189-L191 VanDerWaalsContact C-N 3.28Å; S189-L191 PolarHBondContact O-N 2.87Å; L191-L193 HydrophobicContact CB-CD1 3.88Å; L191-L193 HydrophobicContact CB-CG 3.92Å; L191-L193 HydrophobicContact CD1-CD1 3.97Å; L191-L193 PolarHBondContact O-N 3.35Å
192G68.9Low70.1Confident35 Ų35102.6 Ų102.636%0.36150%0.497SS..THydrogen-bonded Turntrans65.417.7-179.800000113.8F188 S189 K190 E194 Q195 W196F188-G192 PolarHBondContact O-N 3.22Å; S189-G192 PolarHBondContact O-N 2.83Å; S189-G192 VanDerWaalsContact O-N 3.12Å; K190-G192 VanDerWaalsContact C-N 3.26Å; K190-G192 PolarHBondContact O-N 2.92Å; G192-E194 VanDerWaalsContact C-N 3.26Å; G192-E194 PolarHBondContact O-N 2.98Å; G192-Q195 PolarHBondContact O-N 3.26Å; G192-Q195 VanDerWaalsContact O-N 3.14Å; G192-W196 PolarHBondContact O-N 3.28Å
193L71.3Confident70.3Confident65 Ų65102.8 Ų102.834%0.3451%0.507SS..Hα-helixtrans-67.4-28.7-175.7-73.9167.3000112F188 L191 Q195 W196 I197F188-L193 HydrophobicContact CD1-CD1 3.57Å; F188-L193 HydrophobicContact CE1-CD1 4.02Å; F188-L193 PolarHBondContact O-N 3.07Å; L191-L193 HydrophobicContact CB-CD1 3.88Å; L191-L193 HydrophobicContact CB-CG 3.92Å; L191-L193 HydrophobicContact CD1-CD1 3.97Å; L191-L193 PolarHBondContact O-N 3.35Å; L193-Q195 VanDerWaalsContact C-N 3.28Å; L193-Q195 PolarHBondContact O-N 3.36Å; L193-W196 PolarHBondContact O-N 3.13Å; L193-I197 WeakPolarHBondContact O-CD1 3.45Å; L193-I197 VanDerWaalsContact O-CG1 3.23Å; L193-I197 WeakPolarHBondContact O-CG1 3.41Å; L193-I197 PolarHBondContact O-N 3.45Å
194E69.6Low69.6Low109 Ų109106.8 Ų106.851%0.50952%0.515SS..Hα-helixtrans-60.1-36.9173.1-70167.1-15200112.6S189 G192 K198S189-E194 PolarHBondContact OG-OE1 2.83Å; G192-E194 VanDerWaalsContact C-N 3.26Å; G192-E194 PolarHBondContact O-N 2.98Å; E194-K198 PolarHBondContact O-N 3.08Å; E194-K198 VanDerWaalsContact O-N 3.1Å
195Q72.2Confident69Low130 Ų130107.6 Ų107.661%0.60752%0.52SS*.Hα-helixtrans-73.6-39.5178.3-170.5157.8-6.300111.1G192 L193 K198 E199G192-Q195 PolarHBondContact O-N 3.26Å; G192-Q195 VanDerWaalsContact O-N 3.14Å; L193-Q195 VanDerWaalsContact C-N 3.28Å; L193-Q195 PolarHBondContact O-N 3.36Å; Q195-K198 PolarHBondContact O-N 3.1Å; Q195-E199 WeakPolarHBondContact O-CG 3.31Å; Q195-E199 PolarHBondContact O-N 2.82Å
196W74.8Confident68.2Low157 Ų157109.8 Ų109.860%0.59553%0.53SS*.Hα-helixtrans-64.5-40.4175-167.877.6000112.4G192 L193 E199 Y200G192-W196 PolarHBondContact O-N 3.28Å; L193-W196 PolarHBondContact O-N 3.13Å; W196-E199 PolarHBondContact O-N 3.37Å; W196-Y200 HydrophobicContact CH2-CD2 4.43Å; W196-Y200 WeakPolarHBondContact O-CB 3.29Å; W196-Y200 PolarHBondContact O-N 2.88Å
197I70.9Confident67.3Low89 Ų89109.7 Ų109.746%0.45654%0.54SS..Hα-helixtrans-63.6-43.4175.2-67.4163.9000110.5L193 Y200 E201L193-I197 WeakPolarHBondContact O-CD1 3.45Å; L193-I197 VanDerWaalsContact O-CG1 3.23Å; L193-I197 WeakPolarHBondContact O-CG1 3.41Å; L193-I197 PolarHBondContact O-N 3.45Å; I197-Y200 PolarHBondContact O-N 2.9Å; I197-E201 WeakPolarHBondContact O-CG 2.97Å; I197-E201 PolarHBondContact O-N 3.37Å
198K73.1Confident66.3Low142 Ų142112.7 Ų112.762%0.61756%0.561SS**Hα-helixtrans-61.9-43.2174.9-83-177.1178.9176.70113E194 Q195 Y200 E201 N202E194-K198 PolarHBondContact O-N 3.08Å; E194-K198 VanDerWaalsContact O-N 3.1Å; Q195-K198 PolarHBondContact O-N 3.1Å; K198-Y200 VanDerWaalsContact C-N 3.33Å; K198-E201 PolarHBondContact O-N 2.75Å; K198-N202 VanDerWaalsContact O-CB 3.3Å; K198-N202 WeakPolarHBondContact O-CB 3.41Å; K198-N202 PolarHBondContact O-N 3.47Å; K198-N202 PolarHBondContact O-ND2 2.85Å
199E70.3Confident65Low113 Ų113114.6 Ų114.653%0.52858%0.576SS.*Hα-helixtrans-63-41.4176.3-75.4175.5-167.200111.3Q195 W196 N202 A203Q195-E199 WeakPolarHBondContact O-CG 3.31Å; Q195-E199 PolarHBondContact O-N 2.82Å; W196-E199 PolarHBondContact O-N 3.37Å; E199-N202 PolarHBondContact O-N 3.03Å; E199-A203 WeakPolarHBondContact O-CB 3.26Å; E199-A203 PolarHBondContact O-N 3.15Å
200Y71.1Confident63.4Low144 Ų144120.2 Ų120.257%0.56560%0.596SS**Hα-helixtrans-65.9-40.6178-169.6-97.1000112.8W196 I197 K198W196-Y200 HydrophobicContact CH2-CD2 4.43Å; W196-Y200 WeakPolarHBondContact O-CB 3.29Å; W196-Y200 PolarHBondContact O-N 2.88Å; I197-Y200 PolarHBondContact O-N 2.9Å; K198-Y200 VanDerWaalsContact C-N 3.33Å
201E71.6Confident61.7Low119 Ų119121 Ų12156%0.55661%0.606SS**Hα-helixtrans-70.8-40.3176-73.1-174.7165.600112.5I197 K198 R204 N205I197-E201 WeakPolarHBondContact O-CG 2.97Å; I197-E201 PolarHBondContact O-N 3.37Å; K198-E201 PolarHBondContact O-N 2.75Å; E201-R204 WeakPolarHBondContact O-CB 3.37Å; E201-R204 PolarHBondContact O-N 2.85Å; E201-R204 VanDerWaalsContact O-N 3.17Å; E201-N205 PolarHBondContact O-N 2.71Å
202N69.3Low59.9Low102 Ų102120.9 Ų120.955%0.54562%0.615SS.*Hα-helixtrans-65.9-40.4178.3-74.4-18.9000112.5K198 E199 R204 N205 E206K198-N202 VanDerWaalsContact O-CB 3.3Å; K198-N202 WeakPolarHBondContact O-CB 3.41Å; K198-N202 PolarHBondContact O-N 3.47Å; K198-N202 PolarHBondContact O-ND2 2.85Å; E199-N202 PolarHBondContact O-N 3.03Å; N202-R204 PolarHBondContact O-N 3.4Å; N202-R204 VanDerWaalsContact O-N 3.15Å; N202-N205 PolarHBondContact O-N 3.35Å; N202-E206 PolarHBondContact O-N 3.37Å; N202-E206 VanDerWaalsContact O-N 3.08Å
203A65.7Low59Low65 Ų65123.8 Ų123.854%0.53763%0.63SS.*Hα-helixtrans-59.9-25.4175.200000112.6E199E199-A203 WeakPolarHBondContact O-CB 3.26Å; E199-A203 PolarHBondContact O-N 3.15Å
204R53.8Low57.5Low181 Ų181128.5 Ų128.568%0.68365%0.65SS**Hα-helixtrans-79.4-35.3175.6-127.9179.4-177.9-167.91.4112.4E201 N202 S207E201-R204 WeakPolarHBondContact O-CB 3.37Å; E201-R204 PolarHBondContact O-N 2.85Å; E201-R204 VanDerWaalsContact O-N 3.17Å; N202-R204 PolarHBondContact O-N 3.4Å; N202-R204 VanDerWaalsContact O-N 3.15Å; R204-S207 PolarHBondContact O-OG 3.49Å
205N53.5Low56.3Low119 Ų119128.3 Ų128.364%0.63665%0.652SS**Hα-helixtrans-79.5-28.6-177.7-67.7-24.1000113.5E201 N202 S207 V208E201-N205 PolarHBondContact O-N 2.71Å; N202-N205 PolarHBondContact O-N 3.35Å; N205-S207 PolarHBondContact O-N 3.21Å; N205-V208 PolarHBondContact O-N 3.31Å
206E49.4Very low55.1Low172 Ų172129.9 Ų129.980%0.80466%0.66SS**G310 helixtrans-66.4-22.4174.2-102.8177.9173.300113.1N202 V208N202-E206 PolarHBondContact O-N 3.37Å; N202-E206 VanDerWaalsContact O-N 3.08Å; E206-V208 PolarHBondContact O-N 3.2Å
207S50.2Low53.6Low95 Ų95129.3 Ų129.366%0.66466%0.663SS**G310 helixtrans-79.66-17969.80000115.5R204 N205R204-S207 PolarHBondContact O-OG 3.49Å; N205-S207 PolarHBondContact O-N 3.21Å
208V47.9Very low52.4Low121 Ų121130.6 Ų130.673%0.73367%0.67SS**G310 helixtrans-1166.7-175-172.30000113.7N205 E206N205-V208 PolarHBondContact O-N 3.31Å; E206-V208 PolarHBondContact O-N 3.2Å
209N42.5Very low51.2Low142 Ų142129.5 Ų129.576%0.75967%0.669SS**SBendtrans-128.166.9176-164.323.7000113.4
210E37.6Very low50.1Low179 Ų179126.7 Ų126.784%0.83666%0.662SS**SBendtrans-160.2131.3151.8-106.3169.7-15300107.2
211N36.6Very low48.9Very low148 Ų148123.4 Ų123.479%0.79166%0.66SS**  trans95.147.5-175.9-47.1-24.5000116.8S213N211-S213 PolarHBondContact O-N 3.01Å
212S37.2Very low47.4Very low112 Ų112121 Ų12178%0.78366%0.656SS**  trans-73.5102.1140.6700000109.3
213S50.8Low46.3Very low96 Ų96119.6 Ų119.667%0.67165%0.654SS**SBendtrans167.2-16.1131.362.10000114.8N211N211-S213 PolarHBondContact O-N 3.01Å
214E40.5Very low45.2Very low163 Ų163123.8 Ų123.876%0.76266%0.66SS**SBendtrans-101.6-19.2-176.3-87.4170.9152.800116.1
215D42.5Very low44.6Very low105 Ų105121.2 Ų121.256%0.56166%0.656SS**Hα-helixtrans-83.7-10.5178.6-81.3-21.9000115.1H217 I218 I219D215-H217 VanDerWaalsContact C-N 3.3Å; D215-H217 PolarHBondContact O-N 2.99Å; D215-I218 PolarHBondContact O-N 2.99Å; D215-I219 WeakPolarHBondContact O-CG1 2.91Å; D215-I219 PolarHBondContact O-N 2.93Å
216Q48.7Very low44.2Very low164 Ų164120.3 Ų120.377%0.76665%0.65SS**Hα-helixtrans-71.3-23.3174.5-76.7-169-2.200113.3S220Q216-S220 WeakPolarHBondContact O-CB 3.26Å; Q216-S220 PolarHBondContact O-N 3.06Å
217H42.7Very low43.9Very low144 Ų144116.2 Ų116.267%0.66764%0.637SS**Hα-helixtrans-77.6-30.1177.3-95.9-79.3000113.3D215 S221D215-H217 VanDerWaalsContact C-N 3.3Å; D215-H217 PolarHBondContact O-N 2.99Å; H217-S221 PolarHBondContact O-N 3.24Å; H217-S221 PolarHBondContact O-OG 2.85Å
218I46.3Very low43.4Very low116 Ų116118.2 Ų118.260%0.59564%0.636SS**Hα-helixtrans-77.2-39.5177.6-57.8178.7000110.2D215 C222D215-I218 PolarHBondContact O-N 2.99Å; I218-C222 WeakPolarHBondContact O-CB 3.46Å; I218-C222 PolarHBondContact O-N 3.15Å; I218-C222 VanDerWaalsContact O-N 3.11Å
219I47.2Very low43Very low119 Ų119120.6 Ų120.661%0.6164%0.636SS**Hα-helixtrans-71.7-37.2-179.9-58.7174.2000111.7D215 S221 C222 S223D215-I219 WeakPolarHBondContact O-CG1 2.91Å; D215-I219 PolarHBondContact O-N 2.93Å; I219-S221 PolarHBondContact O-N 3.02Å; I219-C222 PolarHBondContact O-N 2.88Å; I219-S223 WeakPolarHBondContact O-CB 3.36Å; I219-S223 PolarHBondContact O-N 2.96Å
220S46.8Very low42.8Very low55 Ų55119.8 Ų119.839%0.38563%0.631SS.*Hα-helixtrans-70.7-31178.192.90000113.1Q216 K224Q216-S220 WeakPolarHBondContact O-CB 3.26Å; Q216-S220 PolarHBondContact O-N 3.06Å; S220-K224 PolarHBondContact O-N 2.75Å
221S46Very low43Very low74 Ų74116.4 Ų116.452%0.51762%0.623SS.*Hα-helixtrans-73-37.1175.7-57.40000111.8H217 I219 Q225H217-S221 PolarHBondContact O-N 3.24Å; H217-S221 PolarHBondContact O-OG 2.85Å; I219-S221 PolarHBondContact O-N 3.02Å; S221-Q225 PolarHBondContact O-N 3.45Å
222C40Very low42.9Very low69 Ų69117.2 Ų117.247%0.46662%0.621SS.*Hα-helixtrans-74.7-35178.3-144.30000112.3I218 I219 Q225 I226I218-C222 WeakPolarHBondContact O-CB 3.46Å; I218-C222 PolarHBondContact O-N 3.15Å; I218-C222 VanDerWaalsContact O-N 3.11Å; I219-C222 PolarHBondContact O-N 2.88Å; C222-Q225 PolarHBondContact O-N 3.25Å; C222-I226 VanDerWaalsContact O-CG1 3.31Å; C222-I226 WeakPolarHBondContact O-CG1 3.32Å; C222-I226 PolarHBondContact O-N 2.78Å; C222-I226 VanDerWaalsContact O-N 3.12Å
223S46.8Very low42.5Very low73 Ų73116.4 Ų116.451%0.5162%0.616SS.*Hα-helixtrans-63.8-43.2175.8-1780000112.4I219 Q225 I226 T227I219-S223 WeakPolarHBondContact O-CB 3.36Å; I219-S223 PolarHBondContact O-N 2.96Å; S223-Q225 PolarHBondContact O-N 3.17Å; S223-I226 PolarHBondContact O-N 3.45Å; S223-T227 PolarHBondContact O-N 3.17Å; S223-T227 PolarHBondContact O-OG1 3.04Å
224K42.6Very low41.5Very low153 Ų153118.4 Ų118.467%0.66562%0.619SS**Hα-helixtrans-66.6-35.5178.1-70.3-179.1-177177.80113S220 T227 Q228S220-K224 PolarHBondContact O-N 2.75Å; K224-T227 WeakPolarHBondContact CA-OG1 2.94Å; K224-T227 PolarHBondContact O-OG1 2.87Å; K224-Q228 PolarHBondContact O-N 3.32Å
225Q41.7Very low41.5Very low127 Ų127115.9 Ų115.959%0.59362%0.617SS**Hα-helixtrans-70.4-33.8176.2-103.2-177.719.100113.4S221 C222 S223 K229S221-Q225 PolarHBondContact O-N 3.45Å; C222-Q225 PolarHBondContact O-N 3.25Å; S223-Q225 PolarHBondContact O-N 3.17Å; Q225-K229 PolarHBondContact O-N 3.12Å
226I43.3Very low40.8Very low100 Ų100117.6 Ų117.651%0.51363%0.626SS.*Hα-helixtrans-70.1-40.4176.7-66.4165.4000110.3C222 S223 Q228 K229 L230C222-I226 VanDerWaalsContact O-CG1 3.31Å; C222-I226 WeakPolarHBondContact O-CG1 3.32Å; C222-I226 PolarHBondContact O-N 2.78Å; C222-I226 VanDerWaalsContact O-N 3.12Å; S223-I226 PolarHBondContact O-N 3.45Å; I226-Q228 PolarHBondContact O-N 3.38Å; I226-K229 PolarHBondContact O-N 3.5Å; I226-L230 HydrophobicContact CG2-CD1 4.03Å; I226-L230 PolarHBondContact O-N 3.48Å
227T43.2Very low39.9Very low85 Ų85117.3 Ų117.352%0.52163%0.625SS.*Hα-helixtrans-65.8-34.8175.5320000113.7S223 K224 L230 T231S223-T227 PolarHBondContact O-N 3.17Å; S223-T227 PolarHBondContact O-OG1 3.04Å; K224-T227 WeakPolarHBondContact CA-OG1 2.94Å; K224-T227 PolarHBondContact O-OG1 2.87Å; T227-L230 PolarHBondContact O-N 2.98Å; T227-T231 PolarHBondContact O-OG1 2.81Å
228Q40.1Very low38.9Very low137 Ų137117.3 Ų117.364%0.6464%0.639SS**Hα-helixtrans-72.2-31.2175.4-78.2-173.2-10.800113K224 I226 L230 T231K224-Q228 PolarHBondContact O-N 3.32Å; I226-Q228 PolarHBondContact O-N 3.38Å; Q228-L230 VanDerWaalsContact C-N 3.28Å; Q228-L230 PolarHBondContact O-N 2.89Å; Q228-T231 PolarHBondContact O-OG1 3.36Å
229K40.1Very low37.9Very low172 Ų172114.8 Ų114.875%0.74863%0.632SS**Hα-helixtrans-76.6-12.8174.8-71.2-167.4-179.2-176.80113.8Q225 I226Q225-K229 PolarHBondContact O-N 3.12Å; I226-K229 PolarHBondContact O-N 3.5Å
230L38.5Very low36.7Very low125 Ų125115.4 Ų115.465%0.65464%0.636SS**Hα-helixtrans-85.1-16.3174.2-91.9152.6000113.9I226 T227 Q228I226-L230 HydrophobicContact CG2-CD1 4.03Å; I226-L230 PolarHBondContact O-N 3.48Å; T227-L230 PolarHBondContact O-N 2.98Å; Q228-L230 VanDerWaalsContact C-N 3.28Å; Q228-L230 PolarHBondContact O-N 2.89Å
231T41Very low35.6Very low107 Ų107120.1 Ų120.166%0.65665%0.649SS**SBendtrans-97.48.8178.336.80000115.3T227 Q228T227-T231 PolarHBondContact O-OG1 2.81Å; Q228-T231 PolarHBondContact O-OG1 3.36Å
232H34.1Very low34.5Very low165 Ų165124.8 Ų124.876%0.76466%0.66SS**  trans-121.554.2172.5-59.2-47.6000112.2
233S29.5Very low33.6Very low95 Ų95132.1 Ų132.166%0.66468%0.678SS**  trans-118.487.9157.960.10000108.8
234N29.9Very low32.8Very low139 Ų139135.9 Ų135.974%0.74369%0.691SS**  trans-66.9119.8156.9-174.2-11.6000106.9N236N234-N236 VanDerWaalsContact C-N 3.3Å; N234-N236 PolarHBondContact O-N 2.95Å
235P40.7Very low31.8Very low109 Ų109138.6 Ų138.671%0.70870%0.698SS**SBendtrans-85.172.8-170.334.7-34000109.6
236N27.7Very low31.1Very low141 Ų141140.1 Ų140.175%0.75470%0.702SS**  trans-157144.1164-89.3-37.6000110N234N234-N236 VanDerWaalsContact C-N 3.3Å; N234-N236 PolarHBondContact O-N 2.95Å
237E28.8Very low30.1Very low159 Ų159142.8 Ų142.874%0.74371%0.713SS**  trans78.964.4168-58.4-155.6102.600117.7S239E237-S239 WeakPolarHBondContact CB-OG 3.45Å; E237-S239 VanDerWaalsContact CG-OG 3.29Å; E237-S239 WeakPolarHBondContact CG-OG 3.25Å; E237-S239 PolarHBondContact O-N 3.34Å; E237-S239 PolarHBondContact OE1-OG 3.41Å
238C22.7Very low29.3Very low143 Ų143142.5 Ų142.597%0.96671%0.714SS**  trans-69.368.1132.6-168.10000108.8
239S24.5Very low28.4Very low63 Ų63142.8 Ų142.844%0.44171%0.71SS.*  trans-106.196.9178-61.30000109E237E237-S239 WeakPolarHBondContact CB-OG 3.45Å; E237-S239 VanDerWaalsContact CG-OG 3.29Å; E237-S239 WeakPolarHBondContact CG-OG 3.25Å; E237-S239 PolarHBondContact O-N 3.34Å; E237-S239 PolarHBondContact OE1-OG 3.41Å
240L22.8Very low27.7Very low133 Ų133139.5 Ų139.570%0.69670%0.697SS**  51.3124.6128.7-69.7165.8000119.3
241K22.8Very low27.2Very low154 Ų154136.7 Ų136.767%0.6768%0.681SS**  90.4128.6123.8-80.8170.7176.91600118.8
242K24Very low26.5Very low172 Ų172137.6 Ų137.675%0.74868%0.682SS**  trans79.8104.9137-71.2171.2179.6-175.90115
243R21.6Very low26.4Very low223 Ų223137.4 Ų137.484%0.84268%0.681SS**  74112.178.4-167.1-172.9-148.9179.56.6109.6
244L29Very low26.5Very low151 Ų151140.5 Ų140.579%0.79169%0.689SS**  trans155.999.7141.8-81.8161.8000106.5
245R22.1Very low26.4Very low211 Ų211142.2 Ų142.280%0.79669%0.693SS**  73.6136.271.8-153.4-170-160.2177.45.4112.1
246K25.7Very low25.9Very low158 Ų158140.4 Ų140.469%0.68769%0.693SS**  trans102108.5163.2-66.6-169.7166.9-174.40114.7
247E23.7Very low25.8Very low157 Ų157142.1 Ų142.173%0.73470%0.697SS**  68.5129.683-75.5167.1-171.400109
248S25.4Very low25.8Very low78 Ų78142.5 Ų142.555%0.54570%0.703SS.*  cis17317617.859.20000108.7
249Y22Very low25.9Very low144 Ų144141.3 Ų141.357%0.56569%0.692SS**  trans101.8130.8144.2-84.9-138000121.4K448 H449Y249-K448 HydrophobicContact CD1-CB 4.07Å; Y249-K448 HydrophobicContact CD1-CD 4.44Å; Y249-K448 HydrophobicContact CD1-CG 4.37Å; Y249-H449 WeakPolarHBondContact CB-CD2 3.43Å; Y249-H449 HydrophobicContact CD1-CB 3.65Å; Y249-H449 AromaticContact CD1-CD2 2.83Å; Y249-H449 WeakPolarHBondContact CD1-CD2 3.16Å; Y249-H449 AromaticContact CD1-CG 3.36Å; Y249-H449 AromaticContact CD1-NE2 3.59Å; Y249-H449 AromaticContact CD2-CD2 3.24Å; Y249-H449 WeakPolarHBondContact CD2-CD2 3.4Å; Y249-H449 AromaticContact CD2-CE1 3.86Å; Y249-H449 AromaticContact CD2-NE2 2.96Å; Y249-H449 WeakPolarHBondContact CD2-NE2 3.27Å; Y249-H449 HydrophobicContact CE1-CB 3.33Å; Y249-H449 AromaticContact CE1-CD2 3.06Å; Y249-H449 WeakPolarHBondContact CE1-CD2 3.42Å; Y249-H449 AromaticContact CE1-CG 3.1Å; Y249-H449 AromaticContact CE1-ND1 3.81Å; Y249-H449 AromaticContact CE1-NE2 3.7Å; Y249-H449 AromaticContact CE2-CD2 3.5Å; Y249-H449 AromaticContact CE2-CE1 3.58Å; Y249-H449 AromaticContact CE2-CG 3.98Å; Y249-H449 AromaticContact CE2-NE2 3.16Å; Y249-H449 WeakPolarHBondContact CE2-NE2 3.45Å; Y249-H449 AromaticContact CG-CD2 2.88Å; Y249-H449 AromaticContact CG-CG 3.86Å; Y249-H449 AromaticContact CG-NE2 3.19Å; Y249-H449 AromaticContact CZ-CD2 3.37Å; Y249-H449 AromaticContact CZ-CE1 3.64Å; Y249-H449 AromaticContact CZ-CG 3.41Å; Y249-H449 VanDerWaalsContact CZ-CG 3.41Å; Y249-H449 AromaticContact CZ-ND1 3.62Å; Y249-H449 AromaticContact CZ-NE2 3.46Å
250E24.7Very low25.9Very low102 Ų102143.8 Ų143.848%0.47771%0.709SS.*  trans-51.8-176.5-174-75.7178.2-178.500121.2R447 K448 H449E250-R447 CarbonylContact O-C 2.92Å; E250-R447 WeakPolarHBondContact O-CA 3.47Å; E250-R447 PolarHBondContact O-N 3.24Å; E250-K448 WeakPolarHBondContact O-CA 3.43Å; E250-K448 PolarHBondContact O-N 3.4Å; E250-H449 WeakPolarHBondContact CB-CD2 3.44Å; E250-H449 VanDerWaalsContact CD-ND1 3.25Å; E250-H449 VanDerWaalsContact CG-CE1 3.48Å; E250-H449 WeakPolarHBondContact CG-CE1 3.23Å; E250-H449 WeakPolarHBondContact CG-NE2 3.29Å; E250-H449 PolarHBondContact N-CD2 3.49Å; E250-H449 VanDerWaalsContact N-CD2 3.3Å; E250-H449 PolarHBondContact N-NE2 2.93Å; E250-H449 IonicContact OE1-CE1 3.15Å; E250-H449 PolarHBondContact OE1-CE1 3.25Å; E250-H449 IonicContact OE1-ND1 3.53Å; E250-H449 IonicContact OE1-NE2 3.8Å; E250-H449 IonicContact OE2-CD2 3.7Å; E250-H449 IonicContact OE2-CE1 3.43Å; E250-H449 PolarHBondContact OE2-CE1 2.9Å; E250-H449 IonicContact OE2-CG 3.3Å; E250-H449 VanDerWaalsContact OE2-CG 3.3Å; E250-H449 IonicContact OE2-ND1 3.06Å; E250-H449 PolarHBondContact OE2-ND1 3.11Å; E250-H449 IonicContact OE2-NE2 3.85Å
251E27.8Very low26.5Very low67 Ų67141.8 Ų141.831%0.31370%0.704SS.*  141.4145.5110.8-139.2177.1-174.800114.3R447 H449 T450E251-R447 WeakPolarHBondContact CB-O 3.43Å; E251-H449 VanDerWaalsContact CD-N 3.33Å; E251-H449 PolarHBondContact OE2-N 3.16Å; E251-T450 VanDerWaalsContact CD-N 3.3Å; E251-T450 PolarHBondContact OE1-N 3.49Å
252D26.9Very low26.8Very low125 Ų125142 Ų14267%0.66871%0.712SS**  trans-65.1157.7-170.3-68.7-53.4000116.2
253H31.4Very low26.9Very low161 Ų161139.6 Ų139.675%0.74571%0.712SS**  160.4127119.8-82.7-46.3000114.9
254L32.9Very low27.4Very low161 Ų161135.9 Ų135.984%0.84371%0.714SS**  trans86.3114.8136.9-64.8167000122.5G256L254-G256 PolarHBondContact O-N 3Å
255Q27.1Very low27.1Very low175 Ų175135.9 Ų135.982%0.81871%0.71SS**  trans-47.9116.9150.6-169.978.8-3.300112
256G30.4Very low27.2Very low70 Ų70131 Ų13172%0.72270%0.699SS**  trans-124.395.9168.700000109.5L254 L258L254-G256 PolarHBondContact O-N 3Å; G256-L258 PolarHBondContact O-N 3.15Å
257Q25.2Very low27.2Very low177 Ų177130.7 Ų130.783%0.82770%0.701SS**  trans-66.4108.9169.5-163.9176.430.200108.1
258L29.1Very low27.3Very low167 Ų167128.1 Ų128.187%0.87470%0.7SS**  trans-108.2101.2167.9-78.6173.9000109G256 S260G256-L258 PolarHBondContact O-N 3.15Å; L258-S260 PolarHBondContact O-N 3.25Å
259V24.6Very low27.1Very low119 Ų119134.2 Ų134.272%0.72172%0.716SS**PPolyproline II helixtrans-46.1127.3158.8169.80000109.7
260S25.8Very low27.2Very low114 Ų114132.9 Ų132.980%0.79773%0.728SS**PPolyproline II helixtrans-86.2132.3150.7-65.10000108.2L258L258-S260 PolarHBondContact O-N 3.25Å
261P33.7Very low27Very low92 Ų92134 Ų13460%0.59775%0.746SS**PPolyproline II helixtrans-90.1153.9-172.336.6-33.8000111.9
262N30.1Very low26.9Very low158 Ų158136.2 Ų136.285%0.84577%0.766SS**  trans-174.785.2146.8-85.4-24.8000105
263T25Very low26.7Very low122 Ų122135 Ų13575%0.74877%0.767SS**  48.992.989.4-44.40000111.9
264V32.8Very low26.2Very low144 Ų144134.4 Ų134.487%0.87377%0.77SS**  -151.7117.7108.9-175.90000107.9
265E22.6Very low26Very low151 Ų151132.6 Ų132.671%0.70677%0.77SS**  trans-68.1150.6173.4-111.7-177.2126.200112.9
266N25.2Very low25.8Very low109 Ų109129.8 Ų129.858%0.58377%0.765SS**  trans69.4142.9141.8-60.7-29.2000118
267Q25.1Very low25.8Very low152 Ų152136.5 Ų136.571%0.7177%0.774SS**  cis-172.8159.40-109.4171.951.800106.5
268S25.1Very low25.7Very low102 Ų102135.8 Ų135.871%0.71377%0.771SS**  trans64.6108.2148.647.30000122
269K22.5Very low25.6Very low206 Ų206131.7 Ų131.790%0.89677%0.769SS**  33.4113.2123.5-66.3175.6178.2176.30118.4
270S23.2Very low25.5Very low116 Ų116133.8 Ų133.881%0.81177%0.768SS**  171.2135.4112.964.20000111.5
271C19.7Very low25.5Very low125 Ų125135.1 Ų135.185%0.84577%0.767SS**  trans-61.3151.7158.5-54.30000109.8
272P27.3Very low25.4Very low114 Ų114140.3 Ų140.374%0.7478%0.78SS**  -144.2151.585.435.3-17.6000116.1
273S21Very low25Very low99 Ų99142.2 Ų142.269%0.69278%0.78SS**  trans40.8130.9130-50.90000123.3
274D21.4Very low25.1Very low150 Ų150142 Ų14280%0.80278%0.779SS**  trans64.2102.4135.2-59-27.2000119.6
275S28.7Very low24.9Very low122 Ų122140.9 Ų140.985%0.85378%0.775SS**  -150120.8125.154.40000112.2
276V22.3Very low24.9Very low116 Ų116141.2 Ų141.270%0.70378%0.781SS**  trans-64.4128.6169.61700000110.1Q278V276-Q278 HydrophobicContact CG1-CG 4.17Å
277K30.9Very low24.7Very low212 Ų212140.9 Ų140.992%0.92279%0.787SS**  trans-136.7104143.6-80-163.1176.8178.30110.2
278Q23Very low24.8Very low161 Ų161139.1 Ų139.175%0.75279%0.792SS**  trans-64.8137.3163.7-64.1-173.3-3.200110V276V276-Q278 HydrophobicContact CG1-CG 4.17Å
279G26.8Very low24.7Very low81 Ų81143 Ų14384%0.83580%0.799SS**  trans-135.797.815900000107.4
280K23.7Very low24.8Very low164 Ų164140.6 Ų140.671%0.71380%0.795SS**  trans-92.2158.7175.1-80.9-165.6174.9-176.10110.8
281D26.3Very low25.1Very low142 Ų142143.6 Ų143.676%0.75979%0.794SS**  trans81.6132.3158.7-50.2-35.2000115.3
282K30.7Very low25.5Very low201 Ų201144.7 Ų144.787%0.87479%0.79SS**  cis-154155.834-73.6-179.8173175.80112.7
283K22.7Very low25.5Very low197 Ų197145.9 Ų145.986%0.85779%0.79SS**  trans-83.2142.9168.4-72.7173.9172.4177.40112.5
284T26.4Very low26Very low119 Ų119147.1 Ų147.173%0.7379%0.794SS**  trans37.4135.1137.9-270000120.6
285P28.4Very low26.5Very low120 Ų120145.9 Ų145.978%0.77979%0.794SS**  -139.8145.375.728.2-5.9000114.7
286L22.2Very low26.5Very low157 Ų157149 Ų14982%0.82279%0.793SS**  78.8118.180.2-133.3104.3000116.6
287S21.2Very low26.6Very low103 Ų103151.2 Ų151.272%0.7280%0.8SS**  trans68.5117147.6-170.30000121
288S28.1Very low26.4Very low115 Ų115147.9 Ų147.980%0.80479%0.791SS**  -170.9124.1111.7-71.40000110.5
289Q21.7Very low26.6Very low184 Ų184146.3 Ų146.386%0.8679%0.793SS**  trans-59.8135.5159-69.7164.5-62.600109.1
290D25.1Very low26.6Very low154 Ų154146.1 Ų146.182%0.82478%0.779SS**  -176.2145.8128.3-105.8-19.2000113.3
291K29.5Very low26.9Very low180 Ų180146.6 Ų146.678%0.78379%0.789SS**  trans84.584.9162.8-66.8171-177.5179.60119.1
292L28.3Very low27.1Very low148 Ų148146.1 Ų146.178%0.77579%0.787SS**  37.3125.7108.9-72.8160.7000119
293N27.8Very low27.2Very low138 Ų138145.5 Ų145.574%0.73878%0.784SS**  trans81.676.9141.3-59.1-13.1000118.9
294T30.4Very low27.7Very low125 Ų125143.2 Ų143.277%0.76778%0.78SS**  trans-154.9121.9131.9-18.30000108.1F296T294-F296 PolarHBondContact O-N 2.83Å; T294-F296 VanDerWaalsContact O-N 3.08Å
295P33Very low28Very low124 Ų124144.9 Ų144.981%0.80578%0.779SS**  trans-64.7115.9169.726.5-28.9000106.8L297P295-L297 PolarHBondContact O-N 2.91Å; P295-L297 VanDerWaalsContact O-N 3.13Å
296F28.3Very low28.2Very low189 Ų189147.8 Ų147.883%0.82978%0.782SS**  trans-48119.5174.8-85.9-98.2000109.8T294 L298T294-F296 PolarHBondContact O-N 2.83Å; T294-F296 VanDerWaalsContact O-N 3.08Å; F296-L298 VanDerWaalsContact C-N 3.3Å; F296-L298 HydrophobicContact CB-CD1 4.41Å; F296-L298 PolarHBondContact O-N 2.78Å
297L24.2Very low28.9Very low161 Ų161148.7 Ų148.784%0.84378%0.782SS**  trans-58.596154.5-83.4159.5000107.2P295 T299P295-L297 PolarHBondContact O-N 2.91Å; P295-L297 VanDerWaalsContact O-N 3.13Å; L297-T299 PolarHBondContact O-N 3.37Å
298L27.9Very low29.6Very low143 Ų143149.1 Ų149.175%0.74978%0.784SS**  trans-9089.2161-116.4106000108F296 S300F296-L298 VanDerWaalsContact C-N 3.3Å; F296-L298 HydrophobicContact CB-CD1 4.41Å; F296-L298 PolarHBondContact O-N 2.78Å; L298-S300 PolarHBondContact O-N 3.25Å
299T25.2Very low30.1Very low127 Ų127149.3 Ų149.378%0.77978%0.776SS**  trans-64.4107.915347.40000108.9L297L297-T299 PolarHBondContact O-N 3.37Å
300S28.5Very low31.3Very low78 Ų78145.9 Ų145.955%0.54576%0.763SS.*  trans-169.4125.914543.60000108.8L298 D302L298-S300 PolarHBondContact O-N 3.25Å; S300-D302 VanDerWaalsContact C-N 3.27Å; S300-D302 PolarHBondContact O-N 2.94Å
301N29.7Very low32.2Very low173 Ų173145.3 Ų145.393%0.92576%0.759SS**  trans-52.185.8170.7-74.8-37.8000111.1
302D29.9Very low32.9Very low133 Ų133142.9 Ų142.971%0.71175%0.754SS**  trans-113.1117.3157.7-83.5-33.9000107.5S300 I304S300-D302 VanDerWaalsContact C-N 3.27Å; S300-D302 PolarHBondContact O-N 2.94Å; D302-I304 PolarHBondContact O-N 3Å
303K32.7Very low33.9Very low187 Ų187138.4 Ų138.481%0.81374%0.735SS**  trans-45105.9173.3-72.6167.8177.5174.30108H305K303-H305 PolarHBondContact O-N 3.49Å
304I34Very low34.6Very low150 Ų150135.7 Ų135.777%0.76972%0.72SS**  trans-64.387.8166.4-58.8172.4000104.9D302 H306D302-I304 PolarHBondContact O-N 3Å; I304-H306 PolarHBondContact O-N 3.2Å; I304-H306 VanDerWaalsContact O-N 3.11Å
305H32.7Very low35.2Very low154 Ų154134.6 Ų134.671%0.71371%0.71SS**  trans-59.3115.4160-79.6-79.7000105.1K303 Q307K303-H305 PolarHBondContact O-N 3.49Å; H305-Q307 PolarHBondContact O-N 3.22Å
306H31.7Very low36.1Very low181 Ų181132.8 Ų132.884%0.83870%0.697SS**  trans-5487.7164.3-65.9-83.3000107.6I304 S308I304-H306 PolarHBondContact O-N 3.2Å; I304-H306 VanDerWaalsContact O-N 3.11Å; H306-S308 PolarHBondContact O-N 3.08Å
307Q36Very low36.9Very low176 Ų176130.1 Ų130.182%0.82269%0.685SS**  trans-61110.7158.6-94.8-178.3-11.100104.1H305 L309H305-Q307 PolarHBondContact O-N 3.22Å; Q307-L309 PolarHBondContact O-N 3.36Å
308S37.4Very low37.7Very low111 Ų111127.1 Ų127.178%0.77667%0.669SS**  trans-32.7112.3164.147.70000108.8H306 D310H306-S308 PolarHBondContact O-N 3.08Å; S308-D310 PolarHBondContact O-N 2.94Å
309L38.4Very low38.5Very low119 Ų119129.5 Ų129.562%0.62367%0.669SS**  trans-55.6110.9175.8-75.7165.5000107Q307 L311 L314Q307-L309 PolarHBondContact O-N 3.36Å; L309-L311 PolarHBondContact O-N 2.95Å; L309-L314 HydrophobicContact CB-CD1 4.07Å; L309-L314 HydrophobicContact CD1-CD1 4.14Å
310D46.8Very low39.5Very low112 Ų112129.5 Ų129.560%0.59966%0.663SS**  trans-55.9138.8173.8-154.80.4000107.6S308 L312 S313S308-D310 PolarHBondContact O-N 2.94Å; D310-L312 PolarHBondContact O-N 3.47Å; D310-S313 WeakPolarHBondContact O-CB 3.44Å; D310-S313 PolarHBondContact O-N 3.07Å
311L44.7Very low40.3Very low142 Ų142132.3 Ų132.374%0.74367%0.668SS**Hα-helixtrans-52.4-26.3-170-81.3160.2000113.4L309 S313 L314 D315L309-L311 PolarHBondContact O-N 2.95Å; L311-S313 VanDerWaalsContact C-N 3.33Å; L311-S313 PolarHBondContact O-N 3.02Å; L311-L314 PolarHBondContact O-N 3.27Å; L311-D315 PolarHBondContact O-N 2.76Å
312L42.6Very low40.6Very low129 Ų129126.9 Ų126.968%0.67565%0.653SS**Hα-helixtrans-64.3-33.3174.3-68.1166.8000113.3D310 V316D310-L312 PolarHBondContact O-N 3.47Å; L312-V316 WeakPolarHBondContact O-CG2 3.46Å; L312-V316 PolarHBondContact O-N 3.03Å
313S50.3Low40.9Very low54 Ų54127.7 Ų127.738%0.37866%0.657SS.*Hα-helixtrans-72.6-32.4176.8-570000111.7D310 L311 V316 F317D310-S313 WeakPolarHBondContact O-CB 3.44Å; D310-S313 PolarHBondContact O-N 3.07Å; L311-S313 VanDerWaalsContact C-N 3.33Å; L311-S313 PolarHBondContact O-N 3.02Å; S313-V316 PolarHBondContact O-N 2.86Å; S313-F317 WeakPolarHBondContact O-CB 3.02Å; S313-F317 PolarHBondContact O-N 2.81Å
314L42.2Very low40.7Very low81 Ų81123.2 Ų123.242%0.42465%0.65SS.*Hα-helixtrans-66.6-41.3175.4-124.685.5000111.6L309 L311 V316 F317 N318L309-L314 HydrophobicContact CB-CD1 4.07Å; L309-L314 HydrophobicContact CD1-CD1 4.14Å; L311-L314 PolarHBondContact O-N 3.27Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.68Å; L314-F317 WeakPolarHBondContact O-CB 3.08Å; L314-F317 PolarHBondContact O-N 2.82Å; L314-N318 PolarHBondContact O-N 3.04Å; L314-N318 PolarHBondContact O-ND2 3.47Å
315D42.1Very low40.5Very low103 Ų103121.7 Ų121.755%0.55165%0.652SS**Hα-helixtrans-66.6-34.7177.2-110.79.8000112.2L311 R319L311-D315 PolarHBondContact O-N 2.76Å; D315-R319 WeakPolarHBondContact O-CB 3.09Å; D315-R319 WeakPolarHBondContact O-CG 3.37Å; D315-R319 PolarHBondContact O-N 3.15Å; D315-R319 VanDerWaalsContact O-N 3.12Å
316V52.9Low40.1Very low86 Ų86121.8 Ų121.852%0.52166%0.656SS.*Hα-helixtrans-68.6-39.7172.2175.60000110.9L312 S313 L314 R319 L320L312-V316 WeakPolarHBondContact O-CG2 3.46Å; L312-V316 PolarHBondContact O-N 3.03Å; S313-V316 PolarHBondContact O-N 2.86Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.68Å; V316-R319 PolarHBondContact O-N 3.15Å; V316-L320 HydrophobicContact CG1-CD1 3.91Å; V316-L320 WeakPolarHBondContact O-CG 3.45Å; V316-L320 PolarHBondContact O-N 2.85Å
317F43.9Very low40Very low132 Ų132121 Ų12158%0.57966%0.658SS**Hα-helixtrans-64.1-43.8177.3-136.1-89.8000112.1S313 L314 R319 L320 Q321S313-F317 WeakPolarHBondContact O-CB 3.02Å; S313-F317 PolarHBondContact O-N 2.81Å; L314-F317 WeakPolarHBondContact O-CB 3.08Å; L314-F317 PolarHBondContact O-N 2.82Å; F317-R319 VanDerWaalsContact C-N 3.34Å; F317-R319 PolarHBondContact O-N 3.07Å; F317-L320 PolarHBondContact O-N 2.68Å; F317-Q321 PolarHBondContact O-N 2.84Å; F317-Q321 VanDerWaalsContact O-N 3.14Å
318N41.1Very low39.4Very low98 Ų98116.5 Ų116.552%0.52465%0.646SS.*Hα-helixtrans-65-36176.7-73.2-25.2000112.2L314 G322L314-N318 PolarHBondContact O-N 3.04Å; L314-N318 PolarHBondContact O-ND2 3.47Å; N318-G322 PolarHBondContact O-N 2.82Å
319R45.3Very low38.8Very low194 Ų194120.5 Ų120.573%0.73265%0.65SS**Hα-helixtrans-70.4-31.6175.2-77.9178.6179.5-105.10.2113.3D315 V316 F317D315-R319 WeakPolarHBondContact O-CB 3.09Å; D315-R319 WeakPolarHBondContact O-CG 3.37Å; D315-R319 PolarHBondContact O-N 3.15Å; D315-R319 VanDerWaalsContact O-N 3.12Å; V316-R319 PolarHBondContact O-N 3.15Å; F317-R319 VanDerWaalsContact C-N 3.34Å; F317-R319 PolarHBondContact O-N 3.07Å
320L47.5Very low38.1Very low127 Ų127120.2 Ų120.267%0.66566%0.658SS**Hα-helixtrans-76.8-33.6179.3-77.6164.9000112.6V316 F317V316-L320 HydrophobicContact CG1-CD1 3.91Å; V316-L320 WeakPolarHBondContact O-CG 3.45Å; V316-L320 PolarHBondContact O-N 2.85Å; F317-L320 PolarHBondContact O-N 2.68Å
321Q43.5Very low37.8Very low136 Ų136120.9 Ų120.964%0.63667%0.668SS**Hα-helixtrans-71.4-31173.5-85-173.3-0.100113.2F317 N323F317-Q321 PolarHBondContact O-N 2.84Å; F317-Q321 VanDerWaalsContact O-N 3.14Å; Q321-N323 VanDerWaalsContact C-N 3.26Å; Q321-N323 PolarHBondContact O-N 2.83Å
322G37.9Very low36.7Very low60 Ų60119.1 Ų119.162%0.61967%0.668SS**THydrogen-bonded Turntrans-68.4-14.6-176.300000116.2N318N318-G322 PolarHBondContact O-N 2.82Å
323N35.7Very low35.8Very low149 Ų149120.1 Ų120.180%0.79767%0.673SS**THydrogen-bonded Turntrans-120.755-175.2-68.8-14.2000112.1Q321Q321-N323 VanDerWaalsContact C-N 3.26Å; Q321-N323 PolarHBondContact O-N 2.83Å
324S27.2Very low34.5Very low94 Ų94122.5 Ų122.566%0.65769%0.685SS**  trans-13258.116958.80000111.9
325S30.3Very low33.8Very low117 Ų117125.8 Ų125.882%0.81870%0.703SS**  trans-109.395.9155.667.60000109.3N327S325-N327 PolarHBondContact O-N 3.04Å; S325-N327 VanDerWaalsContact O-N 3.15Å
326I25.2Very low32.8Very low156 Ų156128.4 Ų128.480%0.872%0.717SS**  trans-63.7105.2169.7-62.6156000106.6
327N29.9Very low31.7Very low164 Ų164134 Ų13488%0.87773%0.734SS**  trans-120.2110154.6-101-21.2000108.8S325S325-N327 PolarHBondContact O-N 3.04Å; S325-N327 VanDerWaalsContact O-N 3.15Å
328S22.8Very low30.6Very low83 Ų83138.8 Ų138.858%0.5875%0.749SS**  trans-74.7149.5-176.354.90000113.3
329K24.3Very low30Very low195 Ų195143.7 Ų143.785%0.84877%0.765SS**  trans70.7135158.8-62.3168.3178.3177.20114.4
330S24.4Very low28.9Very low113 Ų113140.3 Ų140.379%0.7977%0.772SS**  cis-176.4169.11524.90000107.9
331P40Very low28Very low125 Ų125142.8 Ų142.881%0.81278%0.78SS**  trans-105.5153.5-150.839.3-32.2000114.8
332S22Very low26.9Very low106 Ų106144.5 Ų144.574%0.74179%0.792SS**  trans175.4150.1153.6102.70000108
333L22.9Very low26.3Very low149 Ų149144.9 Ų144.978%0.7880%0.796SS**  cis-170.7148.95.7-114.3152.4000104.7
334V23.7Very low25.8Very low105 Ų105144.7 Ų144.764%0.63679%0.793SS**  trans77.5104.3141.2179.40000118.1
335N27.1Very low25.7Very low150 Ų150149 Ų14980%0.80280%0.802SS**  -17712187.9-114.4-30.2000112.3
336D21.8Very low25.6Very low157 Ų157150.1 Ų150.184%0.8480%0.804SS**  trans-67.9128.5162.4-81.6-52.3000111
337K28.4Very low25.6Very low205 Ų205153.6 Ų153.689%0.89181%0.807SS**  trans-156.498.1144.3-108.8168.3-170.1-179.90110
338R22.6Very low25.5Very low232 Ų232151.3 Ų151.388%0.87580%0.802SS**  trans-1.4114.1152.8-60.3-179.7-176.2-172.80.5115.5
339F27.3Very low25.8Very low200 Ų200154 Ų15488%0.87782%0.815SS**  -151.695.8129.6-101.3-77.6000108.4
340S23.1Very low26.2Very low124 Ų124151.2 Ų151.287%0.86781%0.814SS**  trans-81.4105.7159.8-51.70000107
341Q27.2Very low26.4Very low178 Ų178152.6 Ų152.683%0.83281%0.812SS**  trans-143.5116.4155.1-143.6167.518.600109.6
342I22.1Very low25.8Very low172 Ų172155.5 Ų155.588%0.88281%0.814SS**  trans-70.6127.9177.9-70.6153.1000108.4
343G23.7Very low26.4Very low69 Ų69157.2 Ų157.271%0.71182%0.815SS**  trans-169.474.8179.300000112.3
344I26.7Very low26.7Very low145 Ų145156.9 Ų156.974%0.74481%0.814SS**  trans16.8120.5148.6-50.5177.7000118.6
345H24.4Very low27Very low183 Ų183160.2 Ų160.285%0.84782%0.822SS**  trans51.386.9157-65.9-60.6000119.7
346V28.3Very low27.3Very low142 Ų142161.4 Ų161.486%0.86182%0.823SS**  trans-130.7124.4143.9-176.70000109.1
347R24.8Very low27.7Very low228 Ų228162.8 Ų162.886%0.8682%0.824SS**PPolyproline II helixtrans-54.4130.7-179.9-169.3178.1-167.7167.23.1110.5T349R347-T349 PolarHBondContact O-N 3.49Å
348P27.6Very low27.6Very low117 Ų117163.3 Ų163.376%0.7682%0.822SS**PPolyproline II helixtrans-69.9117.9-176.520.3-24.7000111.5V350P348-V350 PolarHBondContact O-N 3.46Å
349T28.8Very low28Very low139 Ų139158 Ų15885%0.85382%0.818SS**PPolyproline II helixtrans-68.4116.1165.3-42.50000107.9R347 L351R347-T349 PolarHBondContact O-N 3.49Å; T349-L351 PolarHBondContact O-N 2.92Å
350V33Very low28.1Very low136 Ų136156.5 Ų156.582%0.82482%0.817SS**PPolyproline II helixtrans-70.3121.4178.1175.80000108.9P348P348-V350 PolarHBondContact O-N 3.46Å
351L29.6Very low28.3Very low143 Ų143159.9 Ų159.975%0.74982%0.816SS**PPolyproline II helixtrans-62.5128.7178.3-165.777.9000111T349T349-L351 PolarHBondContact O-N 2.92Å
352E27.4Very low28.4Very low186 Ų186156.7 Ų156.787%0.86981%0.813SS**PPolyproline II helixtrans-63.1126.3168.9-78.9-175.5144.200110.3
353N33.1Very low28.5Very low141 Ų141153.9 Ų153.975%0.75481%0.808SS**  trans-116.8103.5170.4-87.6-16.6000110.6
354N31.1Very low28.7Very low142 Ų142161 Ų16176%0.75982%0.815SS**  trans11.9129.3149.6-60.3-39.6000121.3
355H29.7Very low28.7Very low175 Ų175160.1 Ų160.181%0.8182%0.819SS**  trans-61.8139.1165.6-64.4-91.9000113.3
356H33.2Very low28.9Very low176 Ų176163.3 Ų163.382%0.81582%0.823SS**  trans-114.5102.7155.6-73.8-59.6000108.7
357E29.5Very low28.8Very low186 Ų186162 Ų16287%0.86982%0.82SS**PPolyproline II helixtrans-76.1129.6171-89.9179.2151.800110.7
358Y25.7Very low29.1Very low215 Ų215156 Ų15684%0.84381%0.814SS**PPolyproline II helixtrans-90.7131.4169.8-74.3-89.4000110.4
359P31.5Very low29.7Very low122 Ų122156 Ų15679%0.79282%0.816SS**PPolyproline II helixtrans-77.6122.6-178.326.8-31000113K361P359-K361 PolarHBondContact O-N 3.21Å
360I30.2Very low29.9Very low167 Ų167159 Ų15986%0.85682%0.817SS**  trans-80.5107.8174.1-57.7169.9000108.8S362I360-S362 PolarHBondContact O-N 3.26Å
361K27.7Very low29.7Very low195 Ų195157.7 Ų157.785%0.84881%0.813SS**  trans-72.7116.8171.2-79.2179.2176.4176.80110P359P359-K361 PolarHBondContact O-N 3.21Å
362S29.2Very low29.9Very low111 Ų111155.3 Ų155.378%0.77681%0.809SS**  trans-82121.6170.156.20000110.8I360I360-S362 PolarHBondContact O-N 3.26Å
363C24.2Very low30.2Very low114 Ų114155.8 Ų155.877%0.7781%0.808SS**  trans-9785.1174.4-69.60000110.2
364Y25.9Very low29.9Very low218 Ų218154.7 Ų154.786%0.85581%0.81SS**  trans-139.7117156.2-78.3-75.8000109.5R366Y364-R366 PolarHBondContact O-N 3.08Å
365P27.9Very low29.9Very low127 Ų127155.4 Ų155.483%0.82581%0.813SS**  trans-71118.4178.925.6-29.1000110.9S367P365-S367 PolarHBondContact O-N 3.43Å
366R27.8Very low30.1Very low249 Ų249154.4 Ų154.494%0.9481%0.813SS**  trans-83.885.7-178.1-173.6-179.9-176.6169.80.8110.1Y364Y364-R366 PolarHBondContact O-N 3.08Å
367S26.7Very low29.7Very low114 Ų114154.9 Ų154.980%0.79782%0.816SS**  trans-16992.5159.253.50000112.8P365P365-S367 PolarHBondContact O-N 3.43Å
368S31.4Very low29.6Very low103 Ų103153.7 Ų153.772%0.7282%0.815SS**  trans-133.5119.3144.887.10000107.5K370S368-K370 PolarHBondContact O-N 3.35Å
369S39.2Very low29.6Very low117 Ų117148.9 Ų148.982%0.81881%0.81SS**THydrogen-bonded Turntrans-78.431.8-164.448.20000114.8
370K33.9Very low29.2Very low201 Ų201151.6 Ų151.687%0.87481%0.814SS**THydrogen-bonded Turntrans-117.53.5177.1-70-171.7179.1-1790115.4S368S368-K370 PolarHBondContact O-N 3.35Å
371C28.1Very low29.2Very low109 Ų109150.5 Ų150.574%0.73682%0.815SS**  trans-105.523.2176.3-120.90000114.2
372S34.2Very low29.1Very low94 Ų94148.7 Ų148.766%0.65781%0.809SS**THydrogen-bonded Turntrans-93.119.8-176670000115.1
373K32.9Very low29.1Very low196 Ų196153.2 Ų153.285%0.85282%0.815SS**THydrogen-bonded Turntrans-122.6-0.1178.3-81.7-173.9176.8-177.40116.3
374C28Very low29.2Very low117 Ų117155.6 Ų155.679%0.79182%0.815SS**SBendtrans-12113-176.7-61.10000115.3
375L31.3Very low29.3Very low157 Ų157151.3 Ų151.382%0.82281%0.807SS**SBendtrans-131.615.3179-80.2174000115.2
376N33.9Very low29.4Very low154 Ų154154.7 Ų154.782%0.82481%0.811SS**SBendtrans-104.311.8174.3-77.8-5.7000114.2
377E24.6Very low29.7Very low187 Ų187150.7 Ų150.787%0.87481%0.808SS**  trans-127.760.8172.7-69.9-164.1174.600111.9
378L27.5Very low30Very low160 Ų160149.7 Ų149.784%0.83880%0.801SS**SBendtrans-139.4132.6147-79.7177.9000108.2
379P25Very low30.1Very low115 Ų115151.1 Ų151.175%0.74781%0.806SS**  trans-71.1137.4-163.9-10.325.8000111.5V381P379-V381 PolarHBondContact O-N 2.94Å
380M23.7Very low29.6Very low179 Ų179153.8 Ų153.888%0.88281%0.81SS**  trans-53.9102.3163.3-76.6-172.762.700109.7E382M380-E382 PolarHBondContact O-N 3.37Å
381V29.2Very low29.5Very low143 Ų143153.5 Ų153.587%0.86781%0.809SS**  trans-87.5104.8151.4179.80000106.5P379P379-V381 PolarHBondContact O-N 2.94Å
382E26.9Very low29.6Very low157 Ų157156.2 Ų156.273%0.73481%0.811SS**  trans-46.7142.9176.1-164.5169.3-172.500113.4M380 Q384M380-E382 PolarHBondContact O-N 3.37Å; E382-Q384 PolarHBondContact O-N 3.32Å
383K28.6Very low29.5Very low206 Ų206159.1 Ų159.190%0.89682%0.819SS**  trans-59.4100.5178.1-64.5172.4174.8179.80111.1
384Q26Very low29.3Very low164 Ų164156 Ų15677%0.76681%0.81SS**  trans-141.4129.7157-72.7-167.5-6.900111.4E382E382-Q384 PolarHBondContact O-N 3.32Å
385N29.2Very low29.4Very low128 Ų128156.5 Ų156.568%0.68480%0.803SS**  trans82.661.6165.3-50.4-32.1000117.6D387N385-D387 PolarHBondContact O-N 2.96Å
386H29.9Very low29.1Very low199 Ų199157.9 Ų157.992%0.92180%0.798SS**THydrogen-bonded Turntrans-796.3162.6-106.6-76.5000114.6
387D33.9Very low29Very low164 Ų164162.1 Ų162.188%0.87780%0.802SS**THydrogen-bonded Turntrans-102.93.4-176.9-86.8-19.9000116.1N385N385-D387 PolarHBondContact O-N 2.96Å
388S32.8Very low29.3Very low93 Ų93159.9 Ų159.965%0.6580%0.796SS**SBendtrans-117.14-172.257.30000117.6
389V33.2Very low29.6Very low133 Ų133157.5 Ų157.581%0.80678%0.784SS**SBendtrans-116.92-177.4-170.50000114.7
390L29.3Very low30Very low173 Ų173157.3 Ų157.391%0.90678%0.776SS**  trans-124.347.9174-80.1165.3000113
391K31.5Very low30.3Very low196 Ų196155.3 Ų155.385%0.85277%0.769SS**  trans-91113.3154.5-87.4-175.9178.1177.80109.7N393K391-N393 PolarHBondContact O-N 2.88Å
392Q30.4Very low30.3Very low166 Ų166157.8 Ų157.878%0.77677%0.768SS**  trans-54.4123.7177.8-65.6166.3-11.200111.3I394Q392-I394 VanDerWaalsContact C-N 3.29Å; Q392-I394 PolarHBondContact O-N 2.84Å
393N30.8Very low30.4Very low155 Ų155156.8 Ų156.883%0.82977%0.768SS**  trans-72.586.2164.1-73.3-32.3000109K391 I395K391-N393 PolarHBondContact O-N 2.88Å; N393-I395 VanDerWaalsContact C-N 3.32Å; N393-I395 PolarHBondContact O-N 3.26Å; N393-I395 VanDerWaalsContact O-N 3.07Å
394I29.9Very low30.3Very low131 Ų131158.6 Ų158.667%0.67277%0.769SS**  trans-69.993.6162.4-61.2171.9000106.5Q392 R396Q392-I394 VanDerWaalsContact C-N 3.29Å; Q392-I394 PolarHBondContact O-N 2.84Å; I394-R396 PolarHBondContact O-N 2.89Å
395I29Very low30.6Very low127 Ų127158.5 Ų158.565%0.65177%0.772SS**  trans-68.7116.3169.8-60173.3000106.7N393 D399N393-I395 VanDerWaalsContact C-N 3.32Å; N393-I395 PolarHBondContact O-N 3.26Å; N393-I395 VanDerWaalsContact O-N 3.07Å; I395-D399 HydrophobicContact CG2-CB 4.25Å
396R26.3Very low30.5Very low186 Ų186158.9 Ų158.970%0.70277%0.774SS**  trans-78.7148.1178.9-66.8-180-173.7160.22.5108.4I394 N398 D399I394-R396 PolarHBondContact O-N 2.89Å; R396-N398 PolarHBondContact O-N 3.05Å; R396-D399 PolarHBondContact N-OD2 3.31Å; R396-D399 PolarHBondContact O-N 2.8Å
397R31.9Very low30.6Very low242 Ų242160.9 Ų160.991%0.91377%0.774SS**THydrogen-bonded Turntrans-53.4-14.8-179.9-100.3-177.9176.8158.7-1.2115
398N30.7Very low30.4Very low140 Ų140159.2 Ų159.275%0.74977%0.765SS**THydrogen-bonded Turntrans-88.7-9.4-178.2-60.4-0.9000113.2R396 I400R396-N398 PolarHBondContact O-N 3.05Å; N398-I400 VanDerWaalsContact C-N 3.32Å; N398-I400 PolarHBondContact O-N 3.31Å
399D33.4Very low30.2Very low111 Ų111163.8 Ų163.859%0.59478%0.776SS**SBendtrans-88.22.6-173.8-57.8-32.7000113.3I395 R396I395-D399 HydrophobicContact CG2-CB 4.25Å; R396-D399 PolarHBondContact N-OD2 3.31Å; R396-D399 PolarHBondContact O-N 2.8Å
400I34.2Very low30.3Very low111 Ų111167.8 Ų167.857%0.56978%0.778SS**  trans-110.787.4176.5-49.5174.1000108.1N398 F402N398-I400 VanDerWaalsContact C-N 3.32Å; N398-I400 PolarHBondContact O-N 3.31Å; I400-F402 HydrophobicContact CG2-CE2 4.48Å; I400-F402 PolarHBondContact O-N 2.84Å; I400-F402 VanDerWaalsContact O-N 3.15Å
401N28.6Very low30.3Very low137 Ų137169.1 Ų169.173%0.73378%0.78SS**  trans-63.9111165.9-81.6-23.1000108.6D403N401-D403 PolarHBondContact O-N 3.46Å
402F30.9Very low30.6Very low195 Ų195163.2 Ų163.286%0.85576%0.76SS**  trans-74.881.6162.1-76-86000107.9I400 R404I400-F402 HydrophobicContact CG2-CE2 4.48Å; I400-F402 PolarHBondContact O-N 2.84Å; I400-F402 VanDerWaalsContact O-N 3.15Å; F402-R404 PolarHBondContact O-N 3.45Å; F402-R404 VanDerWaalsContact O-N 3.15Å
403D28.9Very low30.6Very low136 Ų136157 Ų15773%0.72774%0.74SS**  trans-63.8117.5163.4-79.1-27000107.8N401 I405N401-D403 PolarHBondContact O-N 3.46Å; D403-I405 PolarHBondContact O-N 3.46Å
404R25.5Very low31.1Very low243 Ų243154.8 Ų154.892%0.91773%0.734SS**  trans-44.6107171.1-89.9172.2154.9-177.4-6.8109.5F402F402-R404 PolarHBondContact O-N 3.45Å; F402-R404 VanDerWaalsContact O-N 3.15Å
405I32.1Very low31.5Very low162 Ų162156.5 Ų156.583%0.83174%0.74SS**  trans-87.4112.8161.7-60.8175.4000106.5D403D403-I405 PolarHBondContact O-N 3.46Å
406D27Very low31.8Very low137 Ų137152.4 Ų152.473%0.73372%0.722SS**  trans-51.6134.4174.6-93.4-37.3000111.6N408D406-N408 VanDerWaalsContact C-N 3.3Å; D406-N408 PolarHBondContact O-N 3.43Å
407R33.2Very low32.1Very low241 Ų241149.6 Ų149.691%0.90972%0.717SS**  trans-75.978.5174.5-70.5-178.5175-172.8-2109.8
408N29.3Very low32.6Very low129 Ų129145.5 Ų145.569%0.6971%0.706SS**  trans-107.494.2163.4-73.1-13000109.6D406D406-N408 VanDerWaalsContact C-N 3.3Å; D406-N408 PolarHBondContact O-N 3.43Å
409E29.1Very low33.3Very low189 Ų189144 Ų14488%0.88370%0.696SS**  trans18100.6144.4-61.7174.4172.900117.7
410Y34Very low33.2Very low216 Ų216143.4 Ų143.485%0.84769%0.69SS**  trans-107.4116147.4-81.9-82.6000107.9V412Y410-V412 WeakPolarHBondContact O-CG2 3.5Å; Y410-V412 PolarHBondContact O-N 2.96Å
411E29.7Very low33.4Very low201 Ų201145.1 Ų145.194%0.93969%0.689SS**  trans-51.6107.4173.6-79.5-178.8137.500110.4G413E411-G413 PolarHBondContact O-N 3.07Å
412V38.3Very low33.8Very low73 Ų73146.8 Ų146.844%0.44269%0.686SS.*  trans-78.9104.5177.4-178.70000107.3Y410 S416Y410-V412 WeakPolarHBondContact O-CG2 3.5Å; Y410-V412 PolarHBondContact O-N 2.96Å; V412-S416 WeakPolarHBondContact CG1-OG 3.37Å
413G29.1Very low34.3Very low35 Ų35141.6 Ų141.636%0.36167%0.666SS.*  trans-52.8164.3-179.100000114.6E411 E415 S416 Q417E411-G413 PolarHBondContact O-N 3.07Å; G413-E415 PolarHBondContact O-N 3.43Å; G413-S416 PolarHBondContact O-N 3.29Å; G413-S416 PolarHBondContact O-OG 3.18Å; G413-Q417 PolarHBondContact O-N 3.31Å
414P42.6Very low34.7Very low108 Ų108138.8 Ų138.870%0.70165%0.651SS**Hα-helixtrans-62.2-21.6-16722.2-33000114.9
415E37.2Very low35.3Very low168 Ų168131.9 Ų131.979%0.78563%0.629SS**Hα-helixtrans-73.3-40.1175-80.1-158.214500112.9G413 Q417 K418G413-E415 PolarHBondContact O-N 3.43Å; E415-Q417 VanDerWaalsContact C-N 3.34Å; E415-K418 PolarHBondContact O-N 2.84Å
416S35.3Very low35.4Very low41 Ų41127.7 Ų127.729%0.28761%0.609SS.*Hα-helixtrans-75.9-23.4178.129.40000112V412 G413 K418 I419 H420V412-S416 WeakPolarHBondContact CG1-OG 3.37Å; G413-S416 PolarHBondContact O-N 3.29Å; G413-S416 PolarHBondContact O-OG 3.18Å; S416-K418 VanDerWaalsContact C-N 3.27Å; S416-K418 PolarHBondContact O-N 3.46Å; S416-I419 PolarHBondContact O-N 3.48Å; S416-H420 WeakPolarHBondContact O-CB 3.15Å; S416-H420 PolarHBondContact O-CD2 3.14Å; S416-H420 PolarHBondContact O-N 2.98Å
417Q33.9Very low36Very low126 Ų126125 Ų12559%0.58960%0.597SS**Hα-helixtrans-60.7-32.1167.6-104.8-1797.300113.4G413 E415 R421G413-Q417 PolarHBondContact O-N 3.31Å; E415-Q417 VanDerWaalsContact C-N 3.34Å; Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.24Å
418K42.5Very low35.9Very low157 Ų157122.3 Ų122.368%0.68359%0.588SS**Hα-helixtrans-69.8-39.1174.9-76.6180-178.5169.80111.9E415 S416 W422E415-K418 PolarHBondContact O-N 2.84Å; S416-K418 VanDerWaalsContact C-N 3.27Å; S416-K418 PolarHBondContact O-N 3.46Å; K418-W422 WeakPolarHBondContact O-CB 3.44Å; K418-W422 PolarHBondContact O-N 2.98Å; K418-W422 VanDerWaalsContact O-N 3.09Å
419I44.3Very low36.1Very low107 Ų107123 Ų12355%0.54959%0.591SS.*Hα-helixtrans-71.7-43.7179.3-55.5173.8000109.7S416 W422 L423S416-I419 PolarHBondContact O-N 3.48Å; I419-W422 PolarHBondContact O-N 3.06Å; I419-L423 HydrophobicContact CG2-CD1 4.15Å; I419-L423 PolarHBondContact O-N 3.34Å
420H32.2Very low36.2Very low99 Ų99122.2 Ų122.246%0.45859%0.59SS.*Hα-helixtrans-65.7-39.9175.8-78.2-69.7000112.3S416 W422 L423 D424S416-H420 WeakPolarHBondContact O-CB 3.15Å; S416-H420 PolarHBondContact O-CD2 3.14Å; S416-H420 PolarHBondContact O-N 2.98Å; H420-W422 VanDerWaalsContact C-N 3.29Å; H420-W422 PolarHBondContact O-N 3.06Å; H420-L423 PolarHBondContact O-N 3.21Å; H420-D424 VanDerWaalsContact O-CB 3.23Å; H420-D424 WeakPolarHBondContact O-CB 3.46Å; H420-D424 PolarHBondContact O-N 3.16Å
421R38.6Very low35.9Very low148 Ų148115.9 Ų115.956%0.55858%0.577SS**Hα-helixtrans-61.9-36.6171.7-91.7-171.561.6-113.6-3.5112.7Q417 E425Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.24Å; R421-E425 IonicContact CZ-OE1 2.66Å; R421-E425 IonicContact NE-OE1 3.9Å; R421-E425 PolarHBondContact NE-OE1 3.48Å; R421-E425 IonicContact NH2-OE1 3.48Å; R421-E425 PolarHBondContact NH2-OE1 3.44Å; R421-E425 IonicContact NH2-OE2 3.39Å; R421-E425 WeakPolarHBondContact O-CB 3.43Å; R421-E425 WeakPolarHBondContact O-CG 3.07Å; R421-E425 PolarHBondContact O-N 3.43Å
422W36.5Very low35.7Very low172 Ų172109.7 Ų109.765%0.65257%0.567SS**Hα-helixtrans-72.3-35.7178.9-163.280.2000112.5K418 I419 H420 N426K418-W422 WeakPolarHBondContact O-CB 3.44Å; K418-W422 PolarHBondContact O-N 2.98Å; K418-W422 VanDerWaalsContact O-N 3.09Å; I419-W422 PolarHBondContact O-N 3.06Å; H420-W422 VanDerWaalsContact C-N 3.29Å; H420-W422 PolarHBondContact O-N 3.06Å; W422-N426 PolarHBondContact O-N 2.96Å; W422-N426 PolarHBondContact O-ND2 2.89Å
423L40.4Very low35.3Very low86 Ų86114.7 Ų114.745%0.4559%0.591SS.*Hα-helixtrans-74.3-40.4173.7-72.8171.1000112I419 H420 N426 T427I419-L423 HydrophobicContact CG2-CD1 4.15Å; I419-L423 PolarHBondContact O-N 3.34Å; H420-L423 PolarHBondContact O-N 3.21Å; L423-N426 CarbonylContact O-C 3.6Å; L423-N426 PolarHBondContact O-N 3.14Å; L423-T427 WeakPolarHBondContact O-CB 3.46Å; L423-T427 PolarHBondContact O-N 3.5Å; L423-T427 PolarHBondContact O-OG1 2.94Å
424D37.3Very low35.1Very low77 Ų77125 Ų12541%0.41262%0.618SS.*Hα-helixtrans-67.4-43.7176-82.7-5.8000111.1H420 N426 T427 Y428H420-D424 VanDerWaalsContact O-CB 3.23Å; H420-D424 WeakPolarHBondContact O-CB 3.46Å; H420-D424 PolarHBondContact O-N 3.16Å; D424-N426 PolarHBondContact O-N 2.75Å; D424-N426 VanDerWaalsContact O-N 3.17Å; D424-T427 PolarHBondContact O-N 2.77Å; D424-Y428 HydrophobicContact CB-CD2 4Å; D424-Y428 HydrophobicContact CB-CE2 3.95Å; D424-Y428 WeakPolarHBondContact O-CD2 3.36Å; D424-Y428 PolarHBondContact O-N 3.17Å
425E38.2Very low34.5Very low97 Ų97127.8 Ų127.845%0.45362%0.622SS.*Hα-helixtrans-59.8-29.2175.6-78.6174.5-176.300112.1R421 L429R421-E425 IonicContact CZ-OE1 2.66Å; R421-E425 IonicContact NE-OE1 3.9Å; R421-E425 PolarHBondContact NE-OE1 3.48Å; R421-E425 IonicContact NH2-OE1 3.48Å; R421-E425 PolarHBondContact NH2-OE1 3.44Å; R421-E425 IonicContact NH2-OE2 3.39Å; R421-E425 WeakPolarHBondContact O-CB 3.43Å; R421-E425 WeakPolarHBondContact O-CG 3.07Å; R421-E425 PolarHBondContact O-N 3.43Å; E425-L429 WeakPolarHBondContact O-CD1 3.31Å
426N34.5Very low34.2Very low75 Ų75124.7 Ų124.740%0.40162%0.617SS.*Hα-helixtrans-84.2-24.6172.9-73.5-37.8000113.6W422 L423 D424W422-N426 PolarHBondContact O-N 2.96Å; W422-N426 PolarHBondContact O-ND2 2.89Å; L423-N426 CarbonylContact O-C 3.6Å; L423-N426 PolarHBondContact O-N 3.14Å; D424-N426 PolarHBondContact O-N 2.75Å; D424-N426 VanDerWaalsContact O-N 3.17Å
427T39.6Very low34Very low81 Ų81124.2 Ų124.250%0.49762%0.615SS.*Hα-helixtrans-86.6-35.5180-47.40000112L423 D424 L429 M430L423-T427 WeakPolarHBondContact O-CB 3.46Å; L423-T427 PolarHBondContact O-N 3.5Å; L423-T427 PolarHBondContact O-OG1 2.94Å; D424-T427 PolarHBondContact O-N 2.77Å; T427-L429 PolarHBondContact O-N 2.81Å; T427-M430 PolarHBondContact O-N 3.25Å
428Y31Very low34Very low183 Ų183120.8 Ų120.872%0.71860%0.601SS**THydrogen-bonded Turntrans-63.6-19.8172.3-80.9-74.1000112.8D424 M430D424-Y428 HydrophobicContact CB-CD2 4Å; D424-Y428 HydrophobicContact CB-CE2 3.95Å; D424-Y428 WeakPolarHBondContact O-CD2 3.36Å; D424-Y428 PolarHBondContact O-N 3.17Å; Y428-M430 VanDerWaalsContact C-N 3.29Å
429L35.1Very low33.2Very low144 Ų144115.6 Ų115.675%0.75459%0.592SS**THydrogen-bonded Turntrans-75.6-14.3171.2-79166.5000113.7E425 T427E425-L429 WeakPolarHBondContact O-CD1 3.31Å; T427-L429 PolarHBondContact O-N 2.81Å
430M31.1Very low32.5Very low172 Ų172118.4 Ų118.485%0.84761%0.608SS**SBendtrans-1112.2-174.2-89.5-74.6165.700115.2T427 Y428T427-M430 PolarHBondContact O-N 3.25Å; Y428-M430 VanDerWaalsContact C-N 3.29Å
431S27.1Very low32.3Very low83 Ų83119.4 Ų119.458%0.5862%0.621SS**SBendtrans-138.788.5177.156.20000113.5
432G25.5Very low31.9Very low71 Ų71117.2 Ų117.273%0.73263%0.627SS**  trans72104.2134.800000118.8R434G432-R434 PolarHBondContact O-N 2.62Å
433L29Very low31.4Very low179 Ų179114.6 Ų114.694%0.93763%0.626SS**  28.987.7125.8-67.5165.3000116.7
434R25.6Very low30.8Very low250 Ų250118.5 Ų118.594%0.94364%0.64SS**  -172.696.9126.6-105.2-177.2175.9-162.7-0.5109.2G432G432-R434 PolarHBondContact O-N 2.62Å
435Q30Very low30.3Very low167 Ų167121.2 Ų121.278%0.7865%0.654SS**  trans-117.5135.1165.7-85.1-171.9-28.800109.7
436P31.7Very low29.7Very low104 Ų104125.3 Ų125.368%0.67567%0.671SS**  trans-105127.217835.7-26.5000114.4E462P436-E462 VanDerWaalsContact C-CB 3.5Å; P436-E462 VanDerWaalsContact C-CG 3.46Å; P436-E462 VanDerWaalsContact O-CG 3.27Å; P436-E462 WeakPolarHBondContact O-CG 3.47Å
437A30.7Very low29.2Very low30 Ų30131.6 Ų131.625%0.24869%0.688CS.*  trans81.20131.200000129.6V460 N461 E462A437-V460 CarbonylContact O-C 3.26Å; A437-V460 VanDerWaalsContact O-C 3.26Å; A437-V460 WeakPolarHBondContact O-CA 3.48Å; A437-V460 PolarHBondContact O-N 3.5Å; A437-N461 PolarHBondContact O-N 3.21Å; A437-E462 VanDerWaalsContact N-CG 3.31Å
438L33.6Very low28.7Very low54 Ų54134.2 Ų134.228%0.28369%0.693SS.*  0140.60-48.2126000122.5V460 N461 E462 E464 N465L438-V460 CarbonylContact C-O 2.82Å; L438-V460 CarbonylContact O-C 3.37Å; L438-N461 VanDerWaalsContact C-C 3.41Å; L438-N461 CarbonylContact C-O 3Å; L438-N461 VanDerWaalsContact CA-O 3.3Å; L438-N461 WeakPolarHBondContact CA-O 3.4Å; L438-N461 WeakPolarHBondContact CB-O 3.27Å; L438-N461 VanDerWaalsContact CD1-O 3.27Å; L438-N461 WeakPolarHBondContact CD1-O 3.43Å; L438-N461 PolarHBondContact N-O 3.09Å; L438-N461 CarbonylContact O-C 2.94Å; L438-N461 WeakPolarHBondContact O-CA 3.3Å; L438-N461 WeakPolarHBondContact O-CB 3.37Å; L438-N461 PolarHBondContact O-N 3.32Å; L438-E462 VanDerWaalsContact CG-CA 3.41Å; L438-E462 HydrophobicContact CG-CB 4.31Å; L438-E464 HydrophobicContact CD1-CB 3.98Å; L438-N465 HydrophobicContact CD1-CB 4.34Å; L438-N465 HydrophobicContact CD2-CB 4.21Å
439G26.1Very low28.5Very low49 Ų49127.7 Ų127.751%0.50567%0.669SS.*  trans-178.4146.2147.200000108V460G439-V460 WeakPolarHBondContact CA-O 3.41Å; G439-V460 PolarHBondContact N-O 3.45Å
440D29.3Very low28Very low165 Ų165126.3 Ų126.388%0.88267%0.667SS**  cis-158.3155.814.2-102-38.1000110
441T28.3Very low27.8Very low121 Ų121124.4 Ų124.474%0.74266%0.659SS**  trans-66.6157.9167.847.90000113.6
442C28.5Very low27.7Very low101 Ų101126.8 Ų126.868%0.68266%0.664SS**  174.7142.582.9-132.30000114.7
443N27.9Very low27.7Very low117 Ų117131.2 Ų131.263%0.62667%0.665SS**  trans60.9115.9136.1-79.8-30000126
444K27.4Very low27.6Very low169 Ų169131.9 Ų131.974%0.73566%0.661SS**  59.8118.9117.4-64.4178-174.6174.30121.8
445N25.4Very low27.7Very low134 Ų134126 Ų12672%0.71766%0.657SS**  trans103.2106.7135.9-66-26.4000119.9
446K26.1Very low27.6Very low183 Ų183125.3 Ų125.380%0.79666%0.658SS**  trans88.596.4140.5-61.9173.3-178.7178.70118.8
447R25.3Very low27.7Very low206 Ų206126.7 Ų126.778%0.77766%0.664SS**  134.8110.8115.3-89.5-179.2162.2162-5.4114.4E250 E251E250-R447 CarbonylContact O-C 2.92Å; E250-R447 WeakPolarHBondContact O-CA 3.47Å; E250-R447 PolarHBondContact O-N 3.24Å; E251-R447 WeakPolarHBondContact CB-O 3.43Å
448K28.2Very low27.5Very low137 Ų137134.1 Ų134.160%0.59669%0.691SS**  trans35.792.7148.2-57.2-158.9166.3178.90121.9Y249 E250Y249-K448 HydrophobicContact CD1-CB 4.07Å; Y249-K448 HydrophobicContact CD1-CD 4.44Å; Y249-K448 HydrophobicContact CD1-CG 4.37Å; E250-K448 WeakPolarHBondContact O-CA 3.43Å; E250-K448 PolarHBondContact O-N 3.4Å
449H26.2Very low27.3Very low45 Ų45141.3 Ų141.321%0.20872%0.716CS.*  trans36124152.6-71.1-106.8000119.9Y249 E250 E251Y249-H449 WeakPolarHBondContact CB-CD2 3.43Å; Y249-H449 HydrophobicContact CD1-CB 3.65Å; Y249-H449 AromaticContact CD1-CD2 2.83Å; Y249-H449 WeakPolarHBondContact CD1-CD2 3.16Å; Y249-H449 AromaticContact CD1-CG 3.36Å; Y249-H449 AromaticContact CD1-NE2 3.59Å; Y249-H449 AromaticContact CD2-CD2 3.24Å; Y249-H449 WeakPolarHBondContact CD2-CD2 3.4Å; Y249-H449 AromaticContact CD2-CE1 3.86Å; Y249-H449 AromaticContact CD2-NE2 2.96Å; Y249-H449 WeakPolarHBondContact CD2-NE2 3.27Å; Y249-H449 HydrophobicContact CE1-CB 3.33Å; Y249-H449 AromaticContact CE1-CD2 3.06Å; Y249-H449 WeakPolarHBondContact CE1-CD2 3.42Å; Y249-H449 AromaticContact CE1-CG 3.1Å; Y249-H449 AromaticContact CE1-ND1 3.81Å; Y249-H449 AromaticContact CE1-NE2 3.7Å; Y249-H449 AromaticContact CE2-CD2 3.5Å; Y249-H449 AromaticContact CE2-CE1 3.58Å; Y249-H449 AromaticContact CE2-CG 3.98Å; Y249-H449 AromaticContact CE2-NE2 3.16Å; Y249-H449 WeakPolarHBondContact CE2-NE2 3.45Å; Y249-H449 AromaticContact CG-CD2 2.88Å; Y249-H449 AromaticContact CG-CG 3.86Å; Y249-H449 AromaticContact CG-NE2 3.19Å; Y249-H449 AromaticContact CZ-CD2 3.37Å; Y249-H449 AromaticContact CZ-CE1 3.64Å; Y249-H449 AromaticContact CZ-CG 3.41Å; Y249-H449 VanDerWaalsContact CZ-CG 3.41Å; Y249-H449 AromaticContact CZ-ND1 3.62Å; Y249-H449 AromaticContact CZ-NE2 3.46Å; E250-H449 WeakPolarHBondContact CB-CD2 3.44Å; E250-H449 VanDerWaalsContact CD-ND1 3.25Å; E250-H449 VanDerWaalsContact CG-CE1 3.48Å; E250-H449 WeakPolarHBondContact CG-CE1 3.23Å; E250-H449 WeakPolarHBondContact CG-NE2 3.29Å; E250-H449 PolarHBondContact N-CD2 3.49Å; E250-H449 VanDerWaalsContact N-CD2 3.3Å; E250-H449 PolarHBondContact N-NE2 2.93Å; E250-H449 IonicContact OE1-CE1 3.15Å; E250-H449 PolarHBondContact OE1-CE1 3.25Å; E250-H449 IonicContact OE1-ND1 3.53Å; E250-H449 IonicContact OE1-NE2 3.8Å; E250-H449 IonicContact OE2-CD2 3.7Å; E250-H449 IonicContact OE2-CE1 3.43Å; E250-H449 PolarHBondContact OE2-CE1 2.9Å; E250-H449 IonicContact OE2-CG 3.3Å; E250-H449 VanDerWaalsContact OE2-CG 3.3Å; E250-H449 IonicContact OE2-ND1 3.06Å; E250-H449 PolarHBondContact OE2-ND1 3.11Å; E250-H449 IonicContact OE2-NE2 3.85Å; E251-H449 VanDerWaalsContact CD-N 3.33Å; E251-H449 PolarHBondContact OE2-N 3.16Å
450T25.8Very low27.6Very low116 Ų116144.1 Ų144.171%0.71272%0.723SS**  -155.2141.1128.1-60.90000109.6E251E251-T450 VanDerWaalsContact CD-N 3.3Å; E251-T450 PolarHBondContact OE1-N 3.49Å
451I26Very low28Very low132 Ų132140.8 Ų140.868%0.67771%0.705SS**  trans-84.1151.8-169.5-64.3159.1000112
452L25.8Very low28.7Very low133 Ų133138.9 Ų138.970%0.69669%0.688SS**  trans99.8106.8142.5-133.574.5000117.3
453H25.3Very low29.5Very low163 Ų163141.5 Ų141.576%0.75569%0.69SS**  175.3145.897.2-108.1-87.1000112.6
454K27.5Very low30.3Very low193 Ų193142.9 Ų142.984%0.83969%0.693SS**  trans-60.2132.2170.1-68.4173.1173.7-178.70111.4
455C26.8Very low30.8Very low127 Ų127140.7 Ų140.786%0.85869%0.689SS**  trans-131128146.5-74.80000108.9
456D27.6Very low31.7Very low152 Ų152138.5 Ų138.581%0.81368%0.681SS**  trans-58.2148.6170.1-61.5-61.5000111.3
457V33.2Very low32.3Very low133 Ų133139.3 Ų139.381%0.80668%0.679SS**  trans167.9112.8131.4162.50000111.6
458K27.6Very low33Very low186 Ų186136.7 Ų136.781%0.80968%0.675SS**  trans48.6110.6142.5-65.7-177.9175.6179.70123.9
459Y29.9Very low33.6Very low206 Ų206137.1 Ų137.181%0.80868%0.681SS**  trans-13.7122.6139-61.6-95.5000119.2
460V31.2Very low34.2Very low107 Ų107141.3 Ų141.365%0.64871%0.705SS**  trans-159.4118.6150.5-179.20000113.5A437 L438 G439A437-V460 CarbonylContact O-C 3.26Å; A437-V460 VanDerWaalsContact O-C 3.26Å; A437-V460 WeakPolarHBondContact O-CA 3.48Å; A437-V460 PolarHBondContact O-N 3.5Å; L438-V460 CarbonylContact C-O 2.82Å; L438-V460 CarbonylContact O-C 3.37Å; G439-V460 WeakPolarHBondContact CA-O 3.41Å; G439-V460 PolarHBondContact N-O 3.45Å
461N37.4Very low35.2Very low95 Ų95140.3 Ų140.351%0.50870%0.703SS.*  trans112.872.9156.4-130.7-3000130.9A437 L438 Q463A437-N461 PolarHBondContact O-N 3.21Å; L438-N461 VanDerWaalsContact C-C 3.41Å; L438-N461 CarbonylContact C-O 3Å; L438-N461 VanDerWaalsContact CA-O 3.3Å; L438-N461 WeakPolarHBondContact CA-O 3.4Å; L438-N461 WeakPolarHBondContact CB-O 3.27Å; L438-N461 VanDerWaalsContact CD1-O 3.27Å; L438-N461 WeakPolarHBondContact CD1-O 3.43Å; L438-N461 PolarHBondContact N-O 3.09Å; L438-N461 CarbonylContact O-C 2.94Å; L438-N461 WeakPolarHBondContact O-CA 3.3Å; L438-N461 WeakPolarHBondContact O-CB 3.37Å; L438-N461 PolarHBondContact O-N 3.32Å; N461-Q463 PolarHBondContact O-N 3.01Å
462E44.4Very low36Very low82 Ų82136.9 Ų136.938%0.38369%0.694SS.*THydrogen-bonded Turntrans-86.719.5-146.8-83.1-178.5157.100110.8P436 A437 L438P436-E462 VanDerWaalsContact C-CB 3.5Å; P436-E462 VanDerWaalsContact C-CG 3.46Å; P436-E462 VanDerWaalsContact O-CG 3.27Å; P436-E462 WeakPolarHBondContact O-CG 3.47Å; A437-E462 VanDerWaalsContact N-CG 3.31Å; L438-E462 VanDerWaalsContact CG-CA 3.41Å; L438-E462 HydrophobicContact CG-CB 4.31Å
463Q44Very low36.8Very low155 Ų155137.9 Ų137.972%0.72470%0.699SS**THydrogen-bonded Turntrans-89.2-11.5-162.1-139.8167.22.300115.2N461 T466N461-Q463 PolarHBondContact O-N 3.01Å; Q463-T466 PolarHBondContact O-OG1 2.96Å
464E45.7Very low37.7Very low146 Ų146136 Ų13668%0.68270%0.695SS**SBendtrans-103.1-14-178-128.9178.6-177.800116.6L438 T466 R467L438-E464 HydrophobicContact CD1-CB 3.98Å; E464-T466 PolarHBondContact O-N 3.12Å; E464-R467 PolarHBondContact O-N 3.17Å
465N37.8Very low38.3Very low123 Ų123132.9 Ų132.966%0.65869%0.692SS**THydrogen-bonded Turntrans-74.7-3.1176.7-100-8.4000114.2L438L438-N465 HydrophobicContact CD1-CB 4.34Å; L438-N465 HydrophobicContact CD2-CB 4.21Å
466T44.4Very low39.1Very low88 Ų88133.3 Ų133.354%0.5469%0.69SS.*THydrogen-bonded Turntrans-82.2-15.7175.250.50000113.7Q463 E464 H468Q463-T466 PolarHBondContact O-OG1 2.96Å; E464-T466 PolarHBondContact O-N 3.12Å; T466-H468 PolarHBondContact O-N 2.83Å
467R39.1Very low40.1Very low200 Ų200130.5 Ų130.576%0.75568%0.683SS**SBendtrans-77.9-16.8-175.9-78.6-169.9176.4-165.90.9115.7E464E464-R467 PolarHBondContact O-N 3.17Å
468H38.6Very low41.2Very low151 Ų151129.1 Ų129.170%0.69968%0.677SS**SBendtrans-104.7-3.2-177.9-75.6-60.6000115.9T466 S471T466-H468 PolarHBondContact O-N 2.83Å; H468-S471 PolarHBondContact O-OG 2.96Å
469M40.4Very low42.5Very low146 Ų146126.1 Ų126.172%0.71968%0.676SS**G310 helixtrans-78.5-21.2174.6-69.2-64.3164.200112.9S471 A472M469-S471 VanDerWaalsContact C-N 3.31Å; M469-S471 PolarHBondContact O-N 2.64Å; M469-A472 PolarHBondContact O-N 3.43Å
470N39.6Very low43.8Very low133 Ų133121.7 Ų121.771%0.71167%0.67SS**G310 helixtrans-73.6-15.9-178.9-70.8-10.5000114.4
471S46.3Very low44.8Very low95 Ų95120.7 Ų120.766%0.66466%0.658SS**G310 helixtrans-91.4-1.4177.849.40000114.3H468 M469H468-S471 PolarHBondContact O-OG 2.96Å; M469-S471 VanDerWaalsContact C-N 3.31Å; M469-S471 PolarHBondContact O-N 2.64Å
472A42.8Very low46Very low61 Ų61120.9 Ų120.950%0.50467%0.665SS.*  trans-114.518.4178.100000113.5M469 N474M469-A472 PolarHBondContact O-N 3.43Å; A472-N474 PolarHBondContact O-N 3.06Å
473L43.9Very low47.1Very low153 Ų153121.8 Ų121.880%0.80167%0.671SS**  trans-6663.8145.3-71.7173.6000107.6T475L473-T475 PolarHBondContact O-N 3.42Å
474N42.6Very low47.8Very low124 Ų124123.2 Ų123.266%0.66367%0.67SS**  trans-47.4111.8157.2-75.9-49.4000104.2A472 V476A472-N474 PolarHBondContact O-N 3.06Å; N474-V476 VanDerWaalsContact C-N 3.25Å; N474-V476 PolarHBondContact O-N 3.2Å
475T40Very low48.7Very low127 Ų127120.9 Ų120.978%0.77966%0.662SS**  trans-35.297.3160.129.30000108L473 S477L473-T475 PolarHBondContact O-N 3.42Å; T475-S477 PolarHBondContact O-N 3.38Å
476V45.3Very low50Low136 Ų136116.8 Ų116.882%0.82464%0.642SS**  trans-67.790.2166.6178.30000102.8N474N474-V476 VanDerWaalsContact C-N 3.25Å; N474-V476 PolarHBondContact O-N 3.2Å
477S47.4Very low50.5Low93 Ų93116.4 Ų116.465%0.6564%0.641SS**PPolyproline II helixtrans-56.7128.1174-64.40000106T475T475-S477 PolarHBondContact O-N 3.38Å
478P57.7Low51.7Low105 Ų105113.7 Ų113.768%0.68264%0.636SS**PPolyproline II helixtrans-55.1147.9179.521.6-31.1000109.4V480P478-V480 PolarHBondContact O-N 3.37Å
479P53.5Low52.9Low122 Ų122113.2 Ų113.279%0.79264%0.639SS**PPolyproline II helixtrans-56.6125.8179.323-31.9000109.6H481P479-H481 PolarHBondContact O-N 2.86Å; P479-H481 VanDerWaalsContact O-N 3.15Å
480V57.2Low53.7Low113 Ų113111.1 Ų111.169%0.68563%0.63SS**  trans-60114.9177.61780000108.6P478 D485P478-V480 PolarHBondContact O-N 3.37Å; V480-D485 WeakPolarHBondContact CA-OD2 3.48Å; V480-D485 HydrophobicContact CG1-CB 3.48Å; V480-D485 VanDerWaalsContact CG1-CB 3.48Å
481H53.4Low54.5Low86 Ų86109.7 Ų109.740%0.39862%0.615SS.*  trans-85.9122.9177.6-166.5-67.5000109.2P479 I483 W484 D485P479-H481 PolarHBondContact O-N 2.86Å; P479-H481 VanDerWaalsContact O-N 3.15Å; H481-I483 PolarHBondContact ND1-N 3.48Å; H481-I483 PolarHBondContact O-N 3.27Å; H481-W484 HydrophobicContact CB-CB 4.44Å; H481-W484 HydrophobicContact CB-CG 4.49Å; H481-W484 AromaticContact CD2-CD1 3.9Å; H481-W484 AromaticContact CE1-CD1 3.82Å; H481-W484 AromaticContact CE1-NE1 3.77Å; H481-W484 AromaticContact CG-CD1 3.39Å; H481-W484 AromaticContact ND1-CD1 3.34Å; H481-W484 VanDerWaalsContact ND1-CD1 3.34Å; H481-W484 AromaticContact ND1-NE1 3.76Å; H481-W484 PolarHBondContact O-N 2.91Å; H481-D485 PolarHBondContact N-OD2 3Å; H481-D485 PolarHBondContact O-N 3.01Å
482P62.6Low55Low99 Ų99109.9 Ų109.964%0.64361%0.612SS**THydrogen-bonded Turntrans-69.28-171.428.4-36.7000115.5T486P482-T486 VanDerWaalsContact C-OG1 3.28Å; P482-T486 PolarHBondContact O-OG1 3.28Å
483I66.1Low55.3Low101 Ų101109.7 Ų109.752%0.51861%0.608SS.*THydrogen-bonded Turntrans-112.4-50.4174.7-62.4178.7000107.9H481 R491H481-I483 PolarHBondContact ND1-N 3.48Å; H481-I483 PolarHBondContact O-N 3.27Å; I483-R491 PolarHBondContact O-NE 2.76Å; I483-R491 PolarHBondContact O-NH2 3.06Å
484W60.3Low55.5Low186 Ų186106.2 Ų106.271%0.70560%0.596SS**THydrogen-bonded Turntrans-77.7-31.7-174.3-51.6113.9000113.6H481 R491H481-W484 HydrophobicContact CB-CB 4.44Å; H481-W484 HydrophobicContact CB-CG 4.49Å; H481-W484 AromaticContact CD2-CD1 3.9Å; H481-W484 AromaticContact CE1-CD1 3.82Å; H481-W484 AromaticContact CE1-NE1 3.77Å; H481-W484 AromaticContact CG-CD1 3.39Å; H481-W484 AromaticContact ND1-CD1 3.34Å; H481-W484 VanDerWaalsContact ND1-CD1 3.34Å; H481-W484 AromaticContact ND1-NE1 3.76Å; H481-W484 PolarHBondContact O-N 2.91Å; W484-R491 VanDerWaalsContact C-NH2 3.31Å; W484-R491 PolarHBondContact O-NH2 2.8Å
485D64.5Low55.5Low96 Ų96106.5 Ų106.551%0.51360%0.597SS.*SBendtrans-102.8-0.5-174.1-59.7-42000113.7V480 H481V480-D485 WeakPolarHBondContact CA-OD2 3.48Å; V480-D485 HydrophobicContact CG1-CB 3.48Å; V480-D485 VanDerWaalsContact CG1-CB 3.48Å; H481-D485 PolarHBondContact N-OD2 3Å; H481-D485 PolarHBondContact O-N 3.01Å
486T63.5Low55.9Low37 Ų37105 Ų10523%0.22759%0.588CS.*SBendtrans-80.9126172.9-45.70000108.9P482 L490 R491P482-T486 VanDerWaalsContact C-OG1 3.28Å; P482-T486 PolarHBondContact O-OG1 3.28Å; T486-L490 HydrophobicContact CG2-CB 3.66Å; T486-L490 HydrophobicContact CG2-CD1 4.44Å; T486-R491 PolarHBondContact O-NE 2.82Å; T486-R491 PolarHBondContact O-NH2 3.08Å
487P56.6Low55.9Low80 Ų80104.9 Ų104.952%0.51958%0.582SS.*  trans-52.7143.3174.2-23.431.5000111.1D489 L490 R491P487-D489 PolarHBondContact O-N 3.23Å; P487-D489 VanDerWaalsContact O-N 3.14Å; P487-L490 PolarHBondContact O-N 2.79Å; P487-R491 PolarHBondContact O-N 3.05Å
488E64.3Low55.8Low143 Ų143109.3 Ų109.367%0.66859%0.59SS**Hα-helixtrans-53.2-38.3-175.2-76.8-177.7156.200113.1L490 R491E488-L490 PolarHBondContact O-N 3.21Å; E488-L490 VanDerWaalsContact O-N 3.11Å; E488-R491 WeakPolarHBondContact O-CB 3.38Å; E488-R491 PolarHBondContact O-N 2.96Å; E488-R491 IonicContact OE1-NH1 2.78Å
489D62.7Low55.2Low141 Ų141111 Ų11175%0.75459%0.593SS**Hα-helixtrans-56.3-30.2177.8-60.5-25.6000113.4P487P487-D489 PolarHBondContact O-N 3.23Å; P487-D489 VanDerWaalsContact O-N 3.14Å
490L57.3Low54.4Low102 Ų102113.2 Ų113.253%0.53459%0.592SS.*Hα-helixtrans-94.5-17.3178.7-71.2174.1000113.1T486 P487 E488 T492 S493T486-L490 HydrophobicContact CG2-CB 3.66Å; T486-L490 HydrophobicContact CG2-CD1 4.44Å; P487-L490 PolarHBondContact O-N 2.79Å; E488-L490 PolarHBondContact O-N 3.21Å; E488-L490 VanDerWaalsContact O-N 3.11Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 2.98Å; L490-S493 PolarHBondContact O-OG 3.47Å
491R56.3Low53.6Low103 Ų103119.5 Ų119.539%0.38962%0.62SS.*Hα-helixtrans-66.6-33.4174.3-69.1-176.7177.8144.52.9111.4I483 W484 T486 P487 E488I483-R491 PolarHBondContact O-NE 2.76Å; I483-R491 PolarHBondContact O-NH2 3.06Å; W484-R491 VanDerWaalsContact C-NH2 3.31Å; W484-R491 PolarHBondContact O-NH2 2.8Å; T486-R491 PolarHBondContact O-NE 2.82Å; T486-R491 PolarHBondContact O-NH2 3.08Å; P487-R491 PolarHBondContact O-N 3.05Å; E488-R491 WeakPolarHBondContact O-CB 3.38Å; E488-R491 PolarHBondContact O-N 2.96Å; E488-R491 IonicContact OE1-NH1 2.78Å
492T56.3Low53.6Low99 Ų99121.2 Ų121.261%0.60763%0.632SS**SBendtrans-96-15-177.151.90000114L490 S494 L495L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 2.98Å; T492-S494 VanDerWaalsContact C-N 3.3Å; T492-S494 PolarHBondContact O-N 3.49Å; T492-L495 PolarHBondContact O-N 2.94Å
493S49.8Very low53.1Low58 Ų58122.3 Ų122.341%0.40663%0.631SS.*THydrogen-bonded Turntrans-75.1-12.9-172.967.70000114.7L490L490-S493 PolarHBondContact O-OG 3.47Å
494S48.4Very low52.4Low80 Ų80123.5 Ų123.556%0.55964%0.637SS**THydrogen-bonded Turntrans-94.1-7.8178.660.70000114.4T492T492-S494 VanDerWaalsContact C-N 3.3Å; T492-S494 PolarHBondContact O-N 3.49Å
495L43.1Very low51.9Low129 Ų129119.8 Ų119.868%0.67563%0.633SS**THydrogen-bonded Turntrans-93.7-16.6-178.1-124.1151.2000113.5T492T492-L495 PolarHBondContact O-N 2.94Å
496T48.6Very low51.1Low96 Ų96121.3 Ų121.359%0.58964%0.641SS**SBendtrans-83.5-25178.537.90000114.5
497D45.5Very low50.3Low133 Ų133126.9 Ų126.971%0.71167%0.668SS**G310 helixtrans-86.3-14.6-176.9-74.1-0.2000113.8L499D497-L499 VanDerWaalsContact C-N 3.31Å; D497-L499 PolarHBondContact O-N 3.49Å
498F43.3Very low49.9Very low187 Ų187130.3 Ų130.382%0.8268%0.679SS**G310 helixtrans-79.9-8.9174.6-90.1-79.3000114.3
499L45.7Very low48.8Very low141 Ų141129.3 Ų129.374%0.73868%0.68SS**G310 helixtrans-102.910.1178.9-70.7173.5000114.1D497D497-L499 VanDerWaalsContact C-N 3.31Å; D497-L499 PolarHBondContact O-N 3.49Å
500H36.6Very low47.6Very low168 Ų168128.3 Ų128.378%0.77867%0.674SS**  trans-127.773.7167.5-85.1-68.9000111.5
501L40.3Very low46.7Very low244 Ų244130.7 Ų130.7100%1.27769%0.686SS**  trans-157.80149.3-107.3155000111.4

Retrieved 501 of 501 residues in 522.7 ms (Link to these results)