A0A087WPA7_MOUSE Loading...

Transcriptional activator Myb

Transcriptional activator; DNA-binding protein that specifically recognize the sequence 5'-YAAC[GT]G-3'. Plays an important role in the control of proliferation and differentiation of hematopoietic progenitor cells.

AlphaFold DB , UniProt , Accession A0A087WPA7, Species MOUSE (Mus musculus, Mouse), Gene Myb, Length 755 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
1M33.6Very low38.4Very low250 Ų250170.6 Ų170.6100%1.23283%0.833SS**  0143.40-62154.117500106.9
2A32.7Very low37.9Very low105 Ų105165.7 Ų165.787%0.86883%0.829SS**  cis-134.9-160.9-6.200000110.2
3R36.5Very low37.9Very low243 Ų243163 Ų16392%0.91782%0.819SS**  trans-90.5158.5-169.6-64.5176.5175.2171.3-2.5113.7
4R46.4Very low37.7Very low214 Ų214163.4 Ų163.481%0.80882%0.816SS**  trans-59.1161.2155.8-74-174.8174.6-174.5-2.4110.8
5P47.3Very low37.6Very low107 Ų107163.3 Ų163.370%0.69582%0.82SS**  -121.3160.712035.4-32.4000113.1
6R52.4Low37.7Very low214 Ų214163.1 Ų163.181%0.80882%0.822SS**  trans-96.5146.3155.5-86.2176.7162.6157.6-9107.1
7H36.8Very low37.8Very low184 Ų184163.9 Ų163.985%0.85282%0.823SS**  trans-130169.5154.2-88.2-83.1000110.2
8S35Very low37.7Very low106 Ų106162.9 Ų162.974%0.74182%0.82SS**  trans-160175.8-166.3-173.10000108.6
9I37.1Very low37.7Very low150 Ų150163.4 Ų163.477%0.76982%0.823SS**  trans89.4141.1167.5-55.6175.5000116.1
10Y29.5Very low37.7Very low211 Ų211163.8 Ų163.883%0.82782%0.822SS**  trans69.9118.1175.9-105.9-112.3000116.6
11S34.7Very low37.6Very low93 Ų93162.8 Ų162.865%0.6582%0.816SS**  cis88.1115.718.9-153.60000115.4
12S32.9Very low37.6Very low111 Ų111156.5 Ų156.578%0.77680%0.796SS**  trans-166.5130.4151.6-1490000108.9
13D37.4Very low37.9Very low131 Ų131157 Ų15770%0.70178%0.784SS**  trans-61170141.4-44.3-108.4000108
14E35.3Very low38Very low168 Ų168153.9 Ų153.979%0.78578%0.78SS**  cis-108.6-172.811-59.199175.800111.3
15D36.5Very low37.4Very low163 Ų163151.3 Ų151.387%0.87278%0.782SS**  cis-134.7156.232.1-61.5-56.8000113.4
16D39.6Very low37.1Very low160 Ų160157 Ų15786%0.85679%0.791SS**  trans-126.2176.2174.6-136.1-33.5000109.8
17E39.1Very low36.5Very low177 Ų177154.1 Ų154.183%0.82779%0.791SS**  trans79.7168.5169.3-43.9-150.1106.400119.8
18D36.5Very low36.6Very low145 Ų145148 Ų14878%0.77578%0.778SS**  trans58.794.3174.8-65.8-10.7000121.4
19I36.3Very low36.7Very low173 Ų173151 Ų15189%0.88779%0.785SS**  -151.4133.999.8-110.1169.9000111.6
20E38.1Very low37Very low171 Ų171152 Ų15280%0.79979%0.791SS**  trans-77163.9-176.6-79.8-167.8106.500114.8
21M36.5Very low37.5Very low142 Ų142147.8 Ų147.870%0.779%0.79SS**  trans-13.4129.9143.9-68.6-80.2-69.800115.7D23M21-D23 WeakPolarHBondContact CE-OD2 3.22Å
22C33.8Very low37.6Very low119 Ų119152.7 Ų152.780%0.80480%0.799SS**  trans-141.1104.6148.2-1540000108.6
23D38.8Very low38.2Very low116 Ų116153.4 Ų153.462%0.6280%0.804SS**  trans-67.4138.5175.3-72.1-63.4000110.5M21M21-D23 WeakPolarHBondContact CE-OD2 3.22Å
24H37.3Very low38.2Very low177 Ų177150.1 Ų150.182%0.81980%0.801SS**  trans-128.6100161.7-91.26.5000109.3Y26H24-Y26 PolarHBondContact O-N 3.44Å
25D35.1Very low39Very low160 Ų160151.9 Ų151.986%0.85681%0.806SS**  trans-54.4129.2169.7-65.9-69.7000110.9
26Y39.8Very low39.7Very low227 Ų227153 Ų15389%0.8980%0.798SS**  trans-133.5121.4152.7-161.8-91000109.6H24H24-Y26 PolarHBondContact O-N 3.44Å
27D39.5Very low40Very low152 Ų152152.4 Ų152.481%0.81379%0.79SS**  trans-79.5146.5-159.4-165.87.1000113.8
28G40.2Very low40.9Very low56 Ų56145.8 Ų145.858%0.57776%0.76SS**  trans72.956.5134.900000120.3
29L37.2Very low41.7Very low170 Ų170141.6 Ų141.689%0.8975%0.751SS**  trans-134.791.7148.2-80.2-174.5000113P31L29-P31 VanDerWaalsContact O-CD 3.22Å; L29-P31 WeakPolarHBondContact O-CD 3.17Å
30L42.8Very low42.8Very low170 Ų170141.7 Ų141.789%0.8975%0.745SS**  trans-52.9116.6173.4-84165.3000112.5K32L30-K32 PolarHBondContact O-N 2.65Å
31P40.7Very low44.7Very low122 Ų122137.4 Ų137.479%0.79273%0.73SS**  trans-68.6105163.5-1329.7000108.1L29L29-P31 VanDerWaalsContact O-CD 3.22Å; L29-P31 WeakPolarHBondContact O-CD 3.17Å
32K35.5Very low47.1Very low196 Ų196140.6 Ų140.685%0.85274%0.735SS**  trans-47146166.7-72.7177.6177.6173.50109.1L30 G34L30-K32 PolarHBondContact O-N 2.65Å; K32-G34 PolarHBondContact O-N 3.03Å
33S45.6Very low49.9Very low127 Ų127136.6 Ų136.689%0.88870%0.703SS**  trans-6563.3-172.545.30000114.6K35S33-K35 PolarHBondContact O-N 3.46Å
34G38.7Very low52.4Low61 Ų61133.5 Ų133.563%0.62969%0.688SS**  trans-61.7129.717400000110K32 R36K32-G34 PolarHBondContact O-N 3.03Å; G34-R36 PolarHBondContact O-N 2.83Å
35K52.3Low55.1Low205 Ų205133 Ų13389%0.89168%0.679SS**  trans-50.7108.3-179.4-65.1176.3-179.9177.70109.4S33 H37S33-K35 PolarHBondContact O-N 3.46Å; K35-H37 PolarHBondContact O-N 3.28Å
36R50Low57.8Low188 Ų188131.2 Ų131.271%0.70967%0.666SS**  trans-46.2125.4-168.6-62-178-68.9177.6-1.8111G34 L38G34-R36 PolarHBondContact O-N 2.83Å; R36-L38 HydrophobicContact CB-CD1 3.64Å; R36-L38 HydrophobicContact CG-CD1 4.34Å; R36-L38 PolarHBondContact O-N 2.92Å
37H47.1Very low60.3Low147 Ų147121.9 Ų121.968%0.68163%0.63SS**  trans-79.243.3-177.5-133.590.8000112.6K35 G39K35-H37 PolarHBondContact O-N 3.28Å; H37-G39 PolarHBondContact O-N 3.41Å
38L56.7Low62.9Low38 Ų38115.9 Ų115.920%0.19960%0.598CS.*THydrogen-bonded Turntrans-602.7-165-133.985.4000116.5R36 N72 T74 Q77R36-L38 HydrophobicContact CB-CD1 3.64Å; R36-L38 HydrophobicContact CG-CD1 4.34Å; R36-L38 PolarHBondContact O-N 2.92Å; L38-N72 HydrophobicContact CD1-CB 4.08Å; L38-T74 HydrophobicContact CD2-CG2 4.01Å; L38-Q77 PolarHBondContact O-NE2 2.87Å
39G53.4Low65.5Low57 Ų57117.9 Ų117.959%0.58859%0.592SS**THydrogen-bonded Turntrans-119.9-3.4-16500000116.4H37H37-G39 PolarHBondContact O-N 3.41Å
40K58.7Low68.1Low175 Ų175114.5 Ų114.576%0.76157%0.57SS**  trans-133.9-7.5-170.4-72.9-177.3178.8173.90116.7R42K40-R42 PolarHBondContact O-N 3.27Å
41T78.6Confident70.5Confident80 Ų80106.4 Ų106.449%0.49153%0.528SS..PPolyproline II helixtrans-62.1124.8177-450000110.1R73T41-R73 PolarHBondContact O-NH1 3.07Å; T41-R73 PolarHBondContact O-NH2 3.33Å; T41-R73 VanDerWaalsContact O-NH2 3.09Å
42R87.7Confident73Confident210 Ų210105 Ų10579%0.79251%0.509SS*.PPolyproline II helixtrans-55.6138.7170-177.7-174.2178.5-86.115.9108.5K40 T44 R73K40-R42 PolarHBondContact O-N 3.27Å; R42-T44 PolarHBondContact O-N 3.13Å; R42-R73 PolarHBondContact O-NH2 3.16Å; R42-R73 VanDerWaalsContact O-NH2 3.12Å
43W91.8Very high75.8Confident35 Ų35101.8 Ų101.813%0.13350%0.495CS..PPolyproline II helixtrans-61.8128.7171.8-76.683.5000109.9E47 L51 R73 Q77 R81W43-E47 WeakPolarHBondContact CA-OE2 3.48Å; W43-E47 HydrophobicContact CE3-CB 3.76Å; W43-E47 HydrophobicContact CZ3-CB 4.06Å; W43-L51 HydrophobicContact CH2-CD2 3.71Å; W43-L51 HydrophobicContact CZ3-CB 4.41Å; W43-L51 HydrophobicContact CZ3-CD2 3.69Å; W43-R73 HydrophobicContact CH2-CB 4.29Å; W43-R73 HydrophobicContact CH2-CG 3.77Å; W43-R73 HydrophobicContact CZ2-CG 4.14Å; W43-R73 HydrophobicContact CZ3-CG 4.21Å; W43-Q77 HydrophobicContact CZ2-CB 4.2Å; W43-R81 VanDerWaalsContact CB-CZ 3.45Å; W43-R81 HydrophobicContact CD2-CB 4.27Å; W43-R81 HydrophobicContact CD2-CG 3.65Å; W43-R81 HydrophobicContact CE3-CG 3.81Å; W43-R81 HydrophobicContact CG-CG 4.23Å; W43-R81 HydrophobicContact CH2-CB 3.95Å; W43-R81 HydrophobicContact CH2-CG 4.06Å; W43-R81 HydrophobicContact CZ2-CB 3.57Å; W43-R81 HydrophobicContact CZ2-CG 3.87Å; W43-R81 HydrophobicContact CZ3-CB 4.42Å; W43-R81 HydrophobicContact CZ3-CG 4.02Å
44T92.6Very high78Confident50 Ų5096.3 Ų96.331%0.30746%0.456SS..PPolyproline II helixtrans-86.8169.8172.786.70000110.4R42 E46 E47 D48R42-T44 PolarHBondContact O-N 3.13Å; T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.47Å; T44-E46 PolarHBondContact OG1-N 2.72Å; T44-E46 PolarHBondContact OG1-OE2 2.96Å; T44-E47 HydrophobicContact CG2-CG 4.48Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 3.46Å; T44-D48 PolarHBondContact O-N 3.34Å
45R92.3Very high80.6Confident168 Ų16893.8 Ų93.863%0.63443%0.429SS*.Hα-helixtrans-70.8-35.6178.9174-178.3172.1-154.7-15.5110.7D48 E49R45-D48 WeakPolarHBondContact O-CB 3.18Å; R45-D48 PolarHBondContact O-N 2.81Å; R45-E49 HydrophobicContact CG-CG 4.39Å; R45-E49 IonicContact CZ-OE1 3.37Å; R45-E49 IonicContact NE-OE1 3.14Å; R45-E49 PolarHBondContact NE-OE1 3.3Å; R45-E49 IonicContact NE-OE2 3.51Å; R45-E49 IonicContact NH2-OE1 2.76Å; R45-E49 PolarHBondContact NH2-OE1 3Å; R45-E49 IonicContact NH2-OE2 3.45Å; R45-E49 WeakPolarHBondContact O-CB 3.47Å; R45-E49 WeakPolarHBondContact O-CG 3.34Å; R45-E49 PolarHBondContact O-N 2.94Å
46E92.1Very high82.4Confident122 Ų12290.4 Ų90.457%0.5742%0.416SS*.Hα-helixtrans-71.6-38.1-177.2-4968.3-140.700110T44 K50T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.47Å; T44-E46 PolarHBondContact OG1-N 2.72Å; T44-E46 PolarHBondContact OG1-OE2 2.96Å; E46-K50 WeakPolarHBondContact O-CB 3.29Å; E46-K50 PolarHBondContact O-N 3.24Å
47E92.9Very high84.3Confident30 Ų3087.7 Ų87.714%0.1441%0.411CS..Hα-helixtrans-64-40.2168.8-69.7179.7122.200112.5W43 T44 L51 L70 R73W43-E47 WeakPolarHBondContact CA-OE2 3.48Å; W43-E47 HydrophobicContact CE3-CB 3.76Å; W43-E47 HydrophobicContact CZ3-CB 4.06Å; T44-E47 HydrophobicContact CG2-CG 4.48Å; T44-E47 PolarHBondContact N-OE2 3.49Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 3.46Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.15Å; E47-L70 HydrophobicContact CB-CD2 4.44Å; E47-R73 IonicContact OE1-CZ 3.24Å; E47-R73 VanDerWaalsContact OE1-CZ 3.24Å; E47-R73 IonicContact OE1-NE 2.71Å; E47-R73 PolarHBondContact OE1-NE 3.11Å; E47-R73 IonicContact OE1-NH2 2.97Å; E47-R73 PolarHBondContact OE1-NH2 2.94Å; E47-R73 IonicContact OE2-CZ 3.56Å; E47-R73 IonicContact OE2-NE 3.64Å; E47-R73 IonicContact OE2-NH2 2.7Å; E47-R73 PolarHBondContact OE2-NH2 3.11Å
48D93.9Very high86.2Confident27 Ų2783.8 Ų83.814%0.14440%0.396CS..Hα-helixtrans-67.4-43.5177.4-79.5-19.6000112.1T44 R45 L51 K52 R81 L86T44-D48 PolarHBondContact O-N 3.34Å; R45-D48 WeakPolarHBondContact O-CB 3.18Å; R45-D48 PolarHBondContact O-N 2.81Å; D48-L51 PolarHBondContact O-N 3.48Å; D48-K52 WeakPolarHBondContact O-CB 3.3Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-R81 VanDerWaalsContact CG-NH2 3.29Å; D48-R81 IonicContact OD1-CZ 3.38Å; D48-R81 VanDerWaalsContact OD1-CZ 3.3Å; D48-R81 IonicContact OD1-NE 3.09Å; D48-R81 PolarHBondContact OD1-NE 2.86Å; D48-R81 IonicContact OD1-NH2 3.3Å; D48-R81 PolarHBondContact OD1-NH2 3.43Å; D48-R81 VanDerWaalsContact OD1-NH2 3.09Å; D48-R81 IonicContact OD2-CZ 3.06Å; D48-R81 IonicContact OD2-NE 2.66Å; D48-R81 IonicContact OD2-NH2 3.6Å; D48-R81 PolarHBondContact OD2-NH2 2.91Å; D48-L86 HydrophobicContact CB-CD1 3.97Å; D48-L86 HydrophobicContact CB-CD2 3.86Å
49E94.3Very high87.7Confident98 Ų9883.4 Ų83.446%0.45840%0.401SS..Hα-helixtrans-68.7-39.9178-74.5174.8172.500111.3R45 K52 K53R45-E49 HydrophobicContact CG-CG 4.39Å; R45-E49 IonicContact CZ-OE1 3.37Å; R45-E49 IonicContact NE-OE1 3.14Å; R45-E49 PolarHBondContact NE-OE1 3.3Å; R45-E49 IonicContact NE-OE2 3.51Å; R45-E49 IonicContact NH2-OE1 2.76Å; R45-E49 PolarHBondContact NH2-OE1 3Å; R45-E49 IonicContact NH2-OE2 3.45Å; R45-E49 WeakPolarHBondContact O-CB 3.47Å; R45-E49 WeakPolarHBondContact O-CG 3.34Å; R45-E49 PolarHBondContact O-N 2.94Å; E49-K52 PolarHBondContact O-N 2.97Å; E49-K53 PolarHBondContact O-N 2.94Å
50K92.8Very high89.3Confident98 Ų9883.9 Ų83.943%0.42639%0.392SS..Hα-helixtrans-65-43.7172.2-167.3176.9-166.9-1760111.6E46 K52 K53 L54 Y69 L70E46-K50 WeakPolarHBondContact O-CB 3.29Å; E46-K50 PolarHBondContact O-N 3.24Å; K50-K52 VanDerWaalsContact C-N 3.33Å; K50-K52 PolarHBondContact O-N 3.34Å; K50-K53 PolarHBondContact O-N 3.38Å; K50-L54 HydrophobicContact CG-CD1 4Å; K50-L54 HydrophobicContact CG-CG 4.49Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CD1 3.43Å; K50-L54 WeakPolarHBondContact O-CG 3.37Å; K50-L54 PolarHBondContact O-N 3.37Å; K50-Y69 VanDerWaalsContact CE-O 3.25Å; K50-Y69 WeakPolarHBondContact CE-O 3.23Å; K50-Y69 PolarHBondContact NZ-O 3.43Å; K50-L70 HydrophobicContact CB-CD2 4.22Å; K50-L70 HydrophobicContact CD-CD2 4.08Å; K50-L70 HydrophobicContact CG-CD2 4.28Å
51L93.3Very high90.5Very high0 Ų081.6 Ų81.60%039%0.388CS..Hα-helixtrans-61.6-40.2174.617856000111.7W43 E47 D48 L54 V55 W63 I66 L70 C78 R81 L86W43-L51 HydrophobicContact CH2-CD2 3.71Å; W43-L51 HydrophobicContact CZ3-CB 4.41Å; W43-L51 HydrophobicContact CZ3-CD2 3.69Å; E47-L51 WeakPolarHBondContact O-CB 3.44Å; E47-L51 PolarHBondContact O-N 3.15Å; D48-L51 PolarHBondContact O-N 3.48Å; L51-L54 PolarHBondContact O-N 3.19Å; L51-V55 HydrophobicContact CD1-CG2 4.05Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.45Å; L51-W63 HydrophobicContact CD1-CZ3 4.31Å; L51-I66 HydrophobicContact CD1-CG2 3.52Å; L51-L70 HydrophobicContact CB-CD1 3.92Å; L51-L70 HydrophobicContact CD1-CD1 3.86Å; L51-L70 HydrophobicContact CG-CD1 4.37Å; L51-C78 HydrophobicContact CD1-CB 3.86Å; L51-C78 HydrophobicContact CD2-CB 4.42Å; L51-R81 HydrophobicContact CD2-CB 3.72Å; L51-R81 HydrophobicContact CD2-CG 3.71Å; L51-L86 HydrophobicContact CB-CD1 4.11Å; L51-L86 HydrophobicContact CD2-CD1 3.73Å; L51-L86 HydrophobicContact CG-CD1 3.98Å
52K93.7Very high91Very high92 Ų9282.5 Ų82.540%0.439%0.39SS..Hα-helixtrans-59.7-53173-179.9-174.9179.7-75.10111D48 E49 K50 L54 V55 E56 W82D48-K52 WeakPolarHBondContact O-CB 3.3Å; D48-K52 PolarHBondContact O-N 3.31Å; E49-K52 PolarHBondContact O-N 2.97Å; K50-K52 VanDerWaalsContact C-N 3.33Å; K50-K52 PolarHBondContact O-N 3.34Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.44Å; K52-V55 PolarHBondContact O-N 3.47Å; K52-E56 VanDerWaalsContact NZ-CD 3.32Å; K52-E56 IonicContact NZ-OE1 2.7Å; K52-E56 PolarHBondContact NZ-OE1 3.14Å; K52-E56 VanDerWaalsContact NZ-OE1 3.16Å; K52-E56 IonicContact NZ-OE2 2.69Å; K52-E56 PolarHBondContact NZ-OE2 3.07Å; K52-E56 VanDerWaalsContact O-CB 3.26Å; K52-E56 WeakPolarHBondContact O-CB 3.21Å; K52-E56 PolarHBondContact O-N 3.2Å; K52-W82 HydrophobicContact CB-CZ3 4.23Å; K52-W82 HydrophobicContact CG-CZ3 4.19Å
53K92.8Very high91.2Very high129 Ų12973.7 Ų73.756%0.56136%0.357SS*.Hα-helixtrans-58.9-39.4-179.1-172.5173.2-178.4175.50111.9E49 K50 E56 Q57E49-K53 PolarHBondContact O-N 2.94Å; K50-K53 PolarHBondContact O-N 3.38Å; K53-E56 PolarHBondContact O-N 3.31Å; K53-Q57 WeakPolarHBondContact O-CB 3.32Å; K53-Q57 VanDerWaalsContact O-CG 3.23Å; K53-Q57 WeakPolarHBondContact O-CG 3.25Å; K53-Q57 PolarHBondContact O-N 2.98Å
54L92.4Very high91.2Very high12 Ų1279.2 Ų79.26%0.06338%0.382CS..Hα-helixtrans-67.1-42.9177-70.9164.7000112.7K50 L51 K52 E56 Q57 N58 I66 Y69 L70K50-L54 HydrophobicContact CG-CD1 4Å; K50-L54 HydrophobicContact CG-CG 4.49Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CD1 3.43Å; K50-L54 WeakPolarHBondContact O-CG 3.37Å; K50-L54 PolarHBondContact O-N 3.37Å; L51-L54 PolarHBondContact O-N 3.19Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 3.44Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.01Å; L54-Q57 PolarHBondContact O-N 3.23Å; L54-N58 WeakPolarHBondContact O-CB 3.45Å; L54-N58 PolarHBondContact O-N 2.94Å; L54-N58 PolarHBondContact O-OD1 3.21Å; L54-I66 HydrophobicContact CB-CG1 4.33Å; L54-I66 HydrophobicContact CB-CG2 3.99Å; L54-I66 HydrophobicContact CD1-CG2 4.2Å; L54-Y69 HydrophobicContact CD1-CG 4.39Å; L54-Y69 HydrophobicContact CD2-CD2 3.56Å; L54-Y69 HydrophobicContact CD2-CE2 4.22Å; L54-Y69 HydrophobicContact CD2-CG 3.75Å; L54-L70 HydrophobicContact CD1-CD1 4.1Å; L54-L70 HydrophobicContact CD1-CG 4.08Å
55V92.6Very high91.1Very high9 Ų979.1 Ų79.16%0.05538%0.381CS..Hα-helixtrans-68.8-32.2175.5176.80000111.6L51 K52 Q57 G59 T60 W63 I66 W82L51-V55 HydrophobicContact CD1-CG2 4.05Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.45Å; K52-V55 PolarHBondContact O-N 3.47Å; V55-Q57 VanDerWaalsContact C-N 3.27Å; V55-Q57 PolarHBondContact O-N 3.39Å; V55-G59 VanDerWaalsContact O-CA 3.27Å; V55-G59 WeakPolarHBondContact O-CA 3.4Å; V55-G59 PolarHBondContact O-N 2.89Å; V55-T60 HydrophobicContact CG1-CG2 3.76Å; V55-W63 HydrophobicContact CG2-CH2 3.68Å; V55-W63 HydrophobicContact CG2-CZ3 3.63Å; V55-I66 HydrophobicContact CG2-CD1 3.84Å; V55-W82 HydrophobicContact CB-CD2 4.17Å; V55-W82 HydrophobicContact CB-CE3 4.1Å; V55-W82 HydrophobicContact CB-CH2 4.12Å; V55-W82 HydrophobicContact CB-CZ2 4.16Å; V55-W82 HydrophobicContact CB-CZ3 4.11Å; V55-W82 HydrophobicContact CG1-CD2 3.86Å; V55-W82 VanDerWaalsContact CG1-CE2 3.44Å; V55-W82 HydrophobicContact CG1-CE3 4.25Å; V55-W82 HydrophobicContact CG1-CG 4.46Å; V55-W82 HydrophobicContact CG1-CH2 3.9Å; V55-W82 HydrophobicContact CG1-CZ2 3.45Å; V55-W82 VanDerWaalsContact CG1-CZ2 3.45Å; V55-W82 HydrophobicContact CG1-CZ3 4.29Å; V55-W82 HydrophobicContact CG2-CD2 3.96Å; V55-W82 HydrophobicContact CG2-CE3 3.98Å; V55-W82 HydrophobicContact CG2-CG 4.28Å; V55-W82 HydrophobicContact CG2-CZ3 4.46Å
56E91.3Very high91.1Very high134 Ų13471.1 Ų71.163%0.62635%0.351SS*.Hα-helixtrans-70.5-21.8174.7-167161.1-145.200112.6K52 K53 L54K52-E56 VanDerWaalsContact NZ-CD 3.32Å; K52-E56 IonicContact NZ-OE1 2.7Å; K52-E56 PolarHBondContact NZ-OE1 3.14Å; K52-E56 VanDerWaalsContact NZ-OE1 3.16Å; K52-E56 IonicContact NZ-OE2 2.69Å; K52-E56 PolarHBondContact NZ-OE2 3.07Å; K52-E56 VanDerWaalsContact O-CB 3.26Å; K52-E56 WeakPolarHBondContact O-CB 3.21Å; K52-E56 PolarHBondContact O-N 3.2Å; K53-E56 PolarHBondContact O-N 3.31Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.01Å
57Q89.3Confident91.1Very high130 Ų13066 Ų6661%0.60733%0.329SS*.Hα-helixtrans-99.2-35.2177.4-73.2177.8-33.100114.3K53 L54 V55K53-Q57 WeakPolarHBondContact O-CB 3.32Å; K53-Q57 VanDerWaalsContact O-CG 3.23Å; K53-Q57 WeakPolarHBondContact O-CG 3.25Å; K53-Q57 PolarHBondContact O-N 2.98Å; L54-Q57 PolarHBondContact O-N 3.23Å; V55-Q57 VanDerWaalsContact C-N 3.27Å; V55-Q57 PolarHBondContact O-N 3.39Å
58N87.2Confident91Very high66 Ų6671.1 Ų71.135%0.35336%0.358SS..Hα-helixtrans-111.9-0.9-173.1-66.898.3000114.1L54 I66L54-N58 WeakPolarHBondContact O-CB 3.45Å; L54-N58 PolarHBondContact O-N 2.94Å; L54-N58 PolarHBondContact O-OD1 3.21Å; N58-I66 HydrophobicContact CB-CD1 4.43Å; N58-I66 HydrophobicContact CB-CG1 4.21Å
59G87.6Confident90.8Very high30 Ų3075.7 Ų75.731%0.30937%0.374SS..THydrogen-bonded Turntrans71.9-165.7-174.200000113.3V55V55-G59 VanDerWaalsContact O-CA 3.27Å; V55-G59 WeakPolarHBondContact O-CA 3.4Å; V55-G59 PolarHBondContact O-N 2.89Å
60T86.9Confident90.5Very high67 Ų6771.2 Ų71.241%0.41135%0.353SS..THydrogen-bonded Turntrans-102.915.9-173480000114.2V55 W63V55-T60 HydrophobicContact CG1-CG2 3.76Å; T60-W63 HydrophobicContact CG2-CZ2 4.32Å; T60-W63 WeakPolarHBondContact O-CZ2 3.44Å; T60-W63 PolarHBondContact O-NE1 2.96Å
61D84.8Confident90Very high126 Ų12671 Ų7167%0.67436%0.362SS*.THydrogen-bonded Turntrans-113.8-50.3-159.7-47.7-33000110W63D61-W63 PolarHBondContact O-N 2.86Å; D61-W63 VanDerWaalsContact O-N 3.07Å
62D89.3Confident89.7Confident100 Ų10075 Ų7554%0.53538%0.383SS..  trans-86.560.8179.1-85.8-50.4000114.6K64 V65 I66D62-K64 PolarHBondContact O-N 3.18Å; D62-V65 HydrophobicContact CB-CB 4.08Å; D62-V65 HydrophobicContact CB-CG2 3.91Å; D62-V65 WeakPolarHBondContact O-CB 3.24Å; D62-V65 PolarHBondContact O-N 3.34Å; D62-I66 PolarHBondContact O-N 3.34Å
63W92.3Very high89.4Confident25 Ų2571.5 Ų71.510%0.09537%0.367CS..Hα-helixtrans-55.1-26.2177.1-64.4100.3000114.6L51 V55 T60 D61 I66 A67 D75 C78 Q79 W82L51-W63 HydrophobicContact CD1-CZ3 4.31Å; V55-W63 HydrophobicContact CG2-CH2 3.68Å; V55-W63 HydrophobicContact CG2-CZ3 3.63Å; T60-W63 HydrophobicContact CG2-CZ2 4.32Å; T60-W63 WeakPolarHBondContact O-CZ2 3.44Å; T60-W63 PolarHBondContact O-NE1 2.96Å; D61-W63 PolarHBondContact O-N 2.86Å; D61-W63 VanDerWaalsContact O-N 3.07Å; W63-I66 HydrophobicContact CE3-CD1 3.98Å; W63-I66 HydrophobicContact CZ3-CD1 4.02Å; W63-A67 WeakPolarHBondContact O-CB 3.38Å; W63-A67 PolarHBondContact O-N 3.03Å; W63-D75 HydrophobicContact CB-CB 3.9Å; W63-D75 WeakPolarHBondContact O-CB 3.34Å; W63-C78 HydrophobicContact CE3-CB 4Å; W63-C78 HydrophobicContact CZ3-CB 4.41Å; W63-Q79 VanDerWaalsContact CD1-NE2 3.28Å; W63-Q79 HydrophobicContact CD2-CB 3.54Å; W63-Q79 HydrophobicContact CD2-CG 4.01Å; W63-Q79 HydrophobicContact CE3-CB 3.94Å; W63-Q79 HydrophobicContact CG-CB 3.85Å; W63-Q79 HydrophobicContact CG-CG 4.28Å; W63-Q79 HydrophobicContact CZ2-CB 4.34Å; W63-Q79 HydrophobicContact CZ2-CG 4.15Å; W63-Q79 HydrophobicContact CZ3-CB 4.5Å; W63-W82 HydrophobicContact CH2-CB 3.51Å; W63-W82 AromaticContact CH2-CD1 3.63Å; W63-W82 AromaticContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CZ2-CB 4.47Å; W63-W82 HydrophobicContact CZ2-CG 4.5Å; W63-W82 HydrophobicContact CZ3-CB 3.93Å; W63-W82 HydrophobicContact CZ3-CG 4.4Å
64K92.2Very high89.4Confident151 Ų15167.5 Ų67.566%0.65735%0.354SS*.Hα-helixtrans-67.9-41.1175.3-66.1172.6-176.4167.20112D62 A67 N68 D75D62-K64 PolarHBondContact O-N 3.18Å; K64-A67 PolarHBondContact O-N 3.28Å; K64-N68 PolarHBondContact O-N 2.83Å; K64-N68 PolarHBondContact O-ND2 2.71Å; K64-D75 HydrophobicContact CG-CB 4.29Å
65V90.3Very high89.4Confident47 Ų4769.5 Ų69.529%0.28537%0.365SS..Hα-helixtrans-65.6-47.6175.3175.60000109.4D62 A67 N68 Y69D62-V65 HydrophobicContact CB-CB 4.08Å; D62-V65 HydrophobicContact CB-CG2 3.91Å; D62-V65 WeakPolarHBondContact O-CB 3.24Å; D62-V65 PolarHBondContact O-N 3.34Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 3.12Å; V65-N68 WeakPolarHBondContact O-CB 3.35Å; V65-N68 PolarHBondContact O-N 2.75Å; V65-N68 VanDerWaalsContact O-N 3.15Å; V65-Y69 HydrophobicContact CG1-CE2 3.89Å; V65-Y69 WeakPolarHBondContact O-CD2 3.4Å
66I91.1Very high89.4Confident0 Ų072.5 Ų72.50%038%0.383CS..Hα-helixtrans-58.1-39.9177.7-63.7173.3000111.8L51 L54 V55 N58 D62 W63 N68 Y69 L70 C78L51-I66 HydrophobicContact CD1-CG2 3.52Å; L54-I66 HydrophobicContact CB-CG1 4.33Å; L54-I66 HydrophobicContact CB-CG2 3.99Å; L54-I66 HydrophobicContact CD1-CG2 4.2Å; V55-I66 HydrophobicContact CG2-CD1 3.84Å; N58-I66 HydrophobicContact CB-CD1 4.43Å; N58-I66 HydrophobicContact CB-CG1 4.21Å; D62-I66 PolarHBondContact O-N 3.34Å; W63-I66 HydrophobicContact CE3-CD1 3.98Å; W63-I66 HydrophobicContact CZ3-CD1 4.02Å; I66-N68 PolarHBondContact O-N 3.17Å; I66-Y69 PolarHBondContact O-N 3.05Å; I66-L70 HydrophobicContact CG2-CD1 4.29Å; I66-C78 HydrophobicContact CG2-CB 4.35Å
67A92.3Very high89.4Confident14 Ų1468.3 Ų68.312%0.11636%0.363CS..Hα-helixtrans-65.8-33.2178.200000113.9W63 K64 V65 Y69 L70 D75W63-A67 WeakPolarHBondContact O-CB 3.38Å; W63-A67 PolarHBondContact O-N 3.03Å; K64-A67 PolarHBondContact O-N 3.28Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 3.12Å; A67-Y69 PolarHBondContact O-N 2.7Å; A67-L70 CarbonylContact O-C 3.53Å; A67-L70 PolarHBondContact O-N 2.97Å; A67-D75 HydrophobicContact CB-CB 4.18Å
68N91.5Very high89.6Confident138 Ų13862.1 Ų62.174%0.73833%0.334SS*.Hα-helixtrans-60.7-31178.3-68.5-24.3000112.4K64 V65 I66K64-N68 PolarHBondContact O-N 2.83Å; K64-N68 PolarHBondContact O-ND2 2.71Å; V65-N68 WeakPolarHBondContact O-CB 3.35Å; V65-N68 PolarHBondContact O-N 2.75Å; V65-N68 VanDerWaalsContact O-N 3.15Å; I66-N68 PolarHBondContact O-N 3.17Å
69Y88.7Confident89.8Confident123 Ų12362.4 Ų62.448%0.48233%0.334SS..THydrogen-bonded Turntrans-83.3-8176.8-61.1-76.6000114K50 L54 V65 I66 A67 P71K50-Y69 VanDerWaalsContact CE-O 3.25Å; K50-Y69 WeakPolarHBondContact CE-O 3.23Å; K50-Y69 PolarHBondContact NZ-O 3.43Å; L54-Y69 HydrophobicContact CD1-CG 4.39Å; L54-Y69 HydrophobicContact CD2-CD2 3.56Å; L54-Y69 HydrophobicContact CD2-CE2 4.22Å; L54-Y69 HydrophobicContact CD2-CG 3.75Å; V65-Y69 HydrophobicContact CG1-CE2 3.89Å; V65-Y69 WeakPolarHBondContact O-CD2 3.4Å; I66-Y69 PolarHBondContact O-N 3.05Å; A67-Y69 PolarHBondContact O-N 2.7Å; Y69-P71 VanDerWaalsContact O-CD 3.3Å; Y69-P71 WeakPolarHBondContact O-CD 3.43Å
70L89.4Confident90.1Very high5 Ų564.8 Ų64.83%0.02634%0.336CS..SBendtrans-116.178.5-178.3-75.3163.8000110.2E47 K50 L51 L54 I66 A67 N72 R73 C78E47-L70 HydrophobicContact CB-CD2 4.44Å; K50-L70 HydrophobicContact CB-CD2 4.22Å; K50-L70 HydrophobicContact CD-CD2 4.08Å; K50-L70 HydrophobicContact CG-CD2 4.28Å; L51-L70 HydrophobicContact CB-CD1 3.92Å; L51-L70 HydrophobicContact CD1-CD1 3.86Å; L51-L70 HydrophobicContact CG-CD1 4.37Å; L54-L70 HydrophobicContact CD1-CD1 4.1Å; L54-L70 HydrophobicContact CD1-CG 4.08Å; I66-L70 HydrophobicContact CG2-CD1 4.29Å; A67-L70 CarbonylContact O-C 3.53Å; A67-L70 PolarHBondContact O-N 2.97Å; L70-N72 PolarHBondContact O-N 3Å; L70-R73 HydrophobicContact CB-CB 3.97Å; L70-R73 HydrophobicContact CB-CG 4.11Å; L70-R73 PolarHBondContact O-N 3.11Å; L70-C78 VanDerWaalsContact CD1-SG 3.58Å
71P82Confident90.3Very high93 Ų9364.2 Ų64.260%0.60433%0.327SS*.THydrogen-bonded Turntrans-57.8131.7-178.524.6-34.3000110.8Y69Y69-P71 VanDerWaalsContact O-CD 3.3Å; Y69-P71 WeakPolarHBondContact O-CD 3.43Å
72N86.1Confident90.7Very high84 Ų8459.4 Ų59.445%0.44930%0.299SS..THydrogen-bonded Turntrans76.710-172.3-45.1-74.9000116.7L38 L70L38-N72 HydrophobicContact CD1-CB 4.08Å; L70-N72 PolarHBondContact O-N 3Å
73R88.7Confident90.7Very high18 Ų1859.8 Ų59.87%0.06830%0.298CS..  trans-110.3154.1165.2-56-59.7174.9-176.6-1.2111.5T41 R42 W43 E47 L70T41-R73 PolarHBondContact O-NH1 3.07Å; T41-R73 PolarHBondContact O-NH2 3.33Å; T41-R73 VanDerWaalsContact O-NH2 3.09Å; R42-R73 PolarHBondContact O-NH2 3.16Å; R42-R73 VanDerWaalsContact O-NH2 3.12Å; W43-R73 HydrophobicContact CH2-CB 4.29Å; W43-R73 HydrophobicContact CH2-CG 3.77Å; W43-R73 HydrophobicContact CZ2-CG 4.14Å; W43-R73 HydrophobicContact CZ3-CG 4.21Å; E47-R73 IonicContact OE1-CZ 3.24Å; E47-R73 VanDerWaalsContact OE1-CZ 3.24Å; E47-R73 IonicContact OE1-NE 2.71Å; E47-R73 PolarHBondContact OE1-NE 3.11Å; E47-R73 IonicContact OE1-NH2 2.97Å; E47-R73 PolarHBondContact OE1-NH2 2.94Å; E47-R73 IonicContact OE2-CZ 3.56Å; E47-R73 IonicContact OE2-NE 3.64Å; E47-R73 IonicContact OE2-NH2 2.7Å; E47-R73 PolarHBondContact OE2-NH2 3.11Å; L70-R73 HydrophobicContact CB-CB 3.97Å; L70-R73 HydrophobicContact CB-CG 4.11Å; L70-R73 PolarHBondContact O-N 3.11Å
74T92.7Very high90.5Very high46 Ų4663.2 Ų63.228%0.28231%0.313SS..  trans-104.1157.3169.374.10000110.5L38 V76 Q77 C78L38-T74 HydrophobicContact CD2-CG2 4.01Å; T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 PolarHBondContact O-N 3.45Å; T74-Q77 CarbonylContact O-C 3.6Å; T74-Q77 WeakPolarHBondContact O-CA 3.32Å; T74-Q77 WeakPolarHBondContact O-CB 3.37Å; T74-Q77 PolarHBondContact O-N 3.44Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.27Å; T74-Q77 PolarHBondContact OG1-N 3.4Å; T74-C78 PolarHBondContact O-N 2.96Å; T74-C78 PolarHBondContact O-SG 2.68Å; T74-C78 VanDerWaalsContact O-SG 3.34Å
75D92.3Very high90.2Very high53 Ų5358.7 Ų58.728%0.28330%0.298SS..Hα-helixtrans-44.9-50.5170.358.1-18.3000112.9W63 K64 A67 Q77 C78 Q79W63-D75 HydrophobicContact CB-CB 3.9Å; W63-D75 WeakPolarHBondContact O-CB 3.34Å; K64-D75 HydrophobicContact CG-CB 4.29Å; A67-D75 HydrophobicContact CB-CB 4.18Å; D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 PolarHBondContact O-N 2.9Å; D75-C78 PolarHBondContact O-N 3.09Å; D75-Q79 WeakPolarHBondContact O-CB 3.16Å; D75-Q79 PolarHBondContact O-N 2.87Å
76V91.8Very high90.1Very high73 Ų7357.8 Ų57.844%0.44229%0.292SS..Hα-helixtrans-65.3-31.8177.4178.70000112.3T74 H80T74-V76 VanDerWaalsContact C-N 3.29Å; T74-V76 PolarHBondContact O-N 3.45Å; V76-H80 VanDerWaalsContact O-CB 3.23Å; V76-H80 WeakPolarHBondContact O-CB 3.43Å; V76-H80 PolarHBondContact O-N 3.15Å; V76-H80 VanDerWaalsContact O-N 3.11Å; V76-H80 PolarHBondContact O-ND1 2.8Å; V76-H80 VanDerWaalsContact O-ND1 3.16Å
77Q91.9Very high89.9Confident46 Ų4658.9 Ų58.922%0.21530%0.298CS..Hα-helixtrans-70.8-42.9173-70.4175.1600111.3L38 W43 T74 D75 H80 R81L38-Q77 PolarHBondContact O-NE2 2.87Å; W43-Q77 HydrophobicContact CZ2-CB 4.2Å; T74-Q77 CarbonylContact O-C 3.6Å; T74-Q77 WeakPolarHBondContact O-CA 3.32Å; T74-Q77 WeakPolarHBondContact O-CB 3.37Å; T74-Q77 PolarHBondContact O-N 3.44Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.27Å; T74-Q77 PolarHBondContact OG1-N 3.4Å; D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 PolarHBondContact O-N 2.9Å; Q77-H80 PolarHBondContact O-N 3.39Å; Q77-R81 WeakPolarHBondContact O-CB 3.39Å; Q77-R81 PolarHBondContact O-N 3.24Å
78C92.8Very high89.5Confident0 Ų063.2 Ų63.20%032%0.324CS..Hα-helixtrans-62.3-49.9177.1-65.10000111.3L51 W63 I66 L70 T74 D75 H80 R81 W82L51-C78 HydrophobicContact CD1-CB 3.86Å; L51-C78 HydrophobicContact CD2-CB 4.42Å; W63-C78 HydrophobicContact CE3-CB 4Å; W63-C78 HydrophobicContact CZ3-CB 4.41Å; I66-C78 HydrophobicContact CG2-CB 4.35Å; L70-C78 VanDerWaalsContact CD1-SG 3.58Å; T74-C78 PolarHBondContact O-N 2.96Å; T74-C78 PolarHBondContact O-SG 2.68Å; T74-C78 VanDerWaalsContact O-SG 3.34Å; D75-C78 PolarHBondContact O-N 3.09Å; C78-H80 PolarHBondContact O-N 3.33Å; C78-R81 PolarHBondContact O-N 3.02Å; C78-R81 VanDerWaalsContact O-N 3.15Å; C78-W82 PolarHBondContact O-N 3.02Å
79Q92.4Very high89.1Confident72 Ų7263.5 Ų63.534%0.33632%0.321SS..Hα-helixtrans-56.2-48.2175.1-175.6-175.579.200111.7W63 D75 R81 W82 Q83W63-Q79 VanDerWaalsContact CD1-NE2 3.28Å; W63-Q79 HydrophobicContact CD2-CB 3.54Å; W63-Q79 HydrophobicContact CD2-CG 4.01Å; W63-Q79 HydrophobicContact CE3-CB 3.94Å; W63-Q79 HydrophobicContact CG-CB 3.85Å; W63-Q79 HydrophobicContact CG-CG 4.28Å; W63-Q79 HydrophobicContact CZ2-CB 4.34Å; W63-Q79 HydrophobicContact CZ2-CG 4.15Å; W63-Q79 HydrophobicContact CZ3-CB 4.5Å; D75-Q79 WeakPolarHBondContact O-CB 3.16Å; D75-Q79 PolarHBondContact O-N 2.87Å; Q79-R81 VanDerWaalsContact C-N 3.34Å; Q79-R81 PolarHBondContact O-N 3.49Å; Q79-W82 PolarHBondContact O-N 3.22Å; Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.18Å; Q79-Q83 PolarHBondContact O-N 3.48Å
80H91.9Very high88.9Confident79 Ų7958.8 Ų58.837%0.36630%0.304SS..Hα-helixtrans-64.9-35.2177.6-78.5157.9000113.5V76 Q77 C78 K84V76-H80 VanDerWaalsContact O-CB 3.23Å; V76-H80 WeakPolarHBondContact O-CB 3.43Å; V76-H80 PolarHBondContact O-N 3.15Å; V76-H80 VanDerWaalsContact O-N 3.11Å; V76-H80 PolarHBondContact O-ND1 2.8Å; V76-H80 VanDerWaalsContact O-ND1 3.16Å; Q77-H80 PolarHBondContact O-N 3.39Å; C78-H80 PolarHBondContact O-N 3.33Å; H80-K84 HydrophobicContact CB-CD 4.46Å; H80-K84 PolarHBondContact CD2-NZ 2.92Å; H80-K84 PolarHBondContact NE2-NZ 3.46Å; H80-K84 VanDerWaalsContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CG 3.23Å; H80-K84 PolarHBondContact O-N 3.31Å
81R92.3Very high88.8Confident56 Ų5661.9 Ų61.921%0.21132%0.32CS..Hα-helixtrans-69.4-43.1176.3-175.364.5173.8-178.1-0.7111W43 D48 L51 Q77 C78 Q79 V85 L86W43-R81 VanDerWaalsContact CB-CZ 3.45Å; W43-R81 HydrophobicContact CD2-CB 4.27Å; W43-R81 HydrophobicContact CD2-CG 3.65Å; W43-R81 HydrophobicContact CE3-CG 3.81Å; W43-R81 HydrophobicContact CG-CG 4.23Å; W43-R81 HydrophobicContact CH2-CB 3.95Å; W43-R81 HydrophobicContact CH2-CG 4.06Å; W43-R81 HydrophobicContact CZ2-CB 3.57Å; W43-R81 HydrophobicContact CZ2-CG 3.87Å; W43-R81 HydrophobicContact CZ3-CB 4.42Å; W43-R81 HydrophobicContact CZ3-CG 4.02Å; D48-R81 VanDerWaalsContact CG-NH2 3.29Å; D48-R81 IonicContact OD1-CZ 3.38Å; D48-R81 VanDerWaalsContact OD1-CZ 3.3Å; D48-R81 IonicContact OD1-NE 3.09Å; D48-R81 PolarHBondContact OD1-NE 2.86Å; D48-R81 IonicContact OD1-NH2 3.3Å; D48-R81 PolarHBondContact OD1-NH2 3.43Å; D48-R81 VanDerWaalsContact OD1-NH2 3.09Å; D48-R81 IonicContact OD2-CZ 3.06Å; D48-R81 IonicContact OD2-NE 2.66Å; D48-R81 IonicContact OD2-NH2 3.6Å; D48-R81 PolarHBondContact OD2-NH2 2.91Å; L51-R81 HydrophobicContact CD2-CB 3.72Å; L51-R81 HydrophobicContact CD2-CG 3.71Å; Q77-R81 WeakPolarHBondContact O-CB 3.39Å; Q77-R81 PolarHBondContact O-N 3.24Å; C78-R81 PolarHBondContact O-N 3.02Å; C78-R81 VanDerWaalsContact O-N 3.15Å; Q79-R81 VanDerWaalsContact C-N 3.34Å; Q79-R81 PolarHBondContact O-N 3.49Å; R81-V85 WeakPolarHBondContact O-CA 3.34Å; R81-V85 VanDerWaalsContact O-CB 3.31Å; R81-V85 WeakPolarHBondContact O-CB 2.99Å; R81-V85 PolarHBondContact O-N 3.36Å; R81-L86 HydrophobicContact CG-CD1 3.92Å; R81-L86 HydrophobicContact CG-CG 4.19Å; R81-L86 PolarHBondContact O-N 2.84Å; R81-L86 VanDerWaalsContact O-N 3.12Å
82W91.9Very high88.9Confident24 Ų2464.3 Ų64.39%0.09132%0.321CS..Iπ-helixtrans-59.1-63.8173.3-174.8-109.5000111.5K52 V55 W63 C78 Q79 K84 V85 L86 N87 P88K52-W82 HydrophobicContact CB-CZ3 4.23Å; K52-W82 HydrophobicContact CG-CZ3 4.19Å; V55-W82 HydrophobicContact CB-CD2 4.17Å; V55-W82 HydrophobicContact CB-CE3 4.1Å; V55-W82 HydrophobicContact CB-CH2 4.12Å; V55-W82 HydrophobicContact CB-CZ2 4.16Å; V55-W82 HydrophobicContact CB-CZ3 4.11Å; V55-W82 HydrophobicContact CG1-CD2 3.86Å; V55-W82 VanDerWaalsContact CG1-CE2 3.44Å; V55-W82 HydrophobicContact CG1-CE3 4.25Å; V55-W82 HydrophobicContact CG1-CG 4.46Å; V55-W82 HydrophobicContact CG1-CH2 3.9Å; V55-W82 HydrophobicContact CG1-CZ2 3.45Å; V55-W82 VanDerWaalsContact CG1-CZ2 3.45Å; V55-W82 HydrophobicContact CG1-CZ3 4.29Å; V55-W82 HydrophobicContact CG2-CD2 3.96Å; V55-W82 HydrophobicContact CG2-CE3 3.98Å; V55-W82 HydrophobicContact CG2-CG 4.28Å; V55-W82 HydrophobicContact CG2-CZ3 4.46Å; W63-W82 HydrophobicContact CH2-CB 3.51Å; W63-W82 AromaticContact CH2-CD1 3.63Å; W63-W82 AromaticContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CH2-CG 3.62Å; W63-W82 HydrophobicContact CZ2-CB 4.47Å; W63-W82 HydrophobicContact CZ2-CG 4.5Å; W63-W82 HydrophobicContact CZ3-CB 3.93Å; W63-W82 HydrophobicContact CZ3-CG 4.4Å; C78-W82 PolarHBondContact O-N 3.02Å; Q79-W82 PolarHBondContact O-N 3.22Å; W82-K84 PolarHBondContact O-N 2.58Å; W82-K84 VanDerWaalsContact O-N 3.09Å; W82-V85 PolarHBondContact O-N 3.23Å; W82-L86 HydrophobicContact CD2-CB 4.46Å; W82-L86 HydrophobicContact CE3-CB 3.56Å; W82-L86 HydrophobicContact CZ3-CB 3.91Å; W82-L86 PolarHBondContact O-N 3.2Å; W82-L86 VanDerWaalsContact O-N 3.08Å; W82-N87 HydrophobicContact CD2-CB 4.23Å; W82-N87 HydrophobicContact CG-CB 4.37Å; W82-N87 HydrophobicContact CZ2-CB 4.32Å; W82-N87 WeakPolarHBondContact O-CB 3.49Å; W82-N87 PolarHBondContact O-N 3.19Å; W82-P88 VanDerWaalsContact CH2-CD 3.5Å; W82-P88 VanDerWaalsContact CZ2-CD 3.43Å; W82-P88 HydrophobicContact CZ2-CG 4.48Å
83Q89.7Confident89Confident108 Ų10862 Ų6251%0.50532%0.318SS..Iπ-helixtrans-59.3-28.2-173-169.6-168.758.600113.8Q79Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.18Å; Q79-Q83 PolarHBondContact O-N 3.48Å
84K88.2Confident89.1Confident98 Ų9866.8 Ų66.843%0.42635%0.351SS..Iπ-helixtrans-110.3-10-172.5-56.6168.3-173.9169.50114.1H80 W82 I126H80-K84 HydrophobicContact CB-CD 4.46Å; H80-K84 PolarHBondContact CD2-NZ 2.92Å; H80-K84 PolarHBondContact NE2-NZ 3.46Å; H80-K84 VanDerWaalsContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CB 3.22Å; H80-K84 WeakPolarHBondContact O-CG 3.23Å; H80-K84 PolarHBondContact O-N 3.31Å; W82-K84 PolarHBondContact O-N 2.58Å; W82-K84 VanDerWaalsContact O-N 3.09Å; K84-I126 HydrophobicContact CB-CD1 4.5Å; K84-I126 VanDerWaalsContact O-CD1 3.29Å; K84-I126 WeakPolarHBondContact O-CD1 3.44Å
85V86.5Confident89.2Confident55 Ų5567 Ų6733%0.33335%0.347SS..Iπ-helixtrans-142.5-43.7-174.1-167.50000113.9R81 W82 K92R81-V85 WeakPolarHBondContact O-CA 3.34Å; R81-V85 VanDerWaalsContact O-CB 3.31Å; R81-V85 WeakPolarHBondContact O-CB 2.99Å; R81-V85 PolarHBondContact O-N 3.36Å; W82-V85 PolarHBondContact O-N 3.23Å; V85-K92 WeakPolarHBondContact O-CE 3.31Å; V85-K92 PolarHBondContact O-NZ 3.09Å
86L88.3Confident89.3Confident29 Ų2967.5 Ų67.515%0.15235%0.351CS..Iπ-helixtrans-101.3-28.4-168.3-58179.2000115.5D48 L51 R81 W82D48-L86 HydrophobicContact CB-CD1 3.97Å; D48-L86 HydrophobicContact CB-CD2 3.86Å; L51-L86 HydrophobicContact CB-CD1 4.11Å; L51-L86 HydrophobicContact CD2-CD1 3.73Å; L51-L86 HydrophobicContact CG-CD1 3.98Å; R81-L86 HydrophobicContact CG-CD1 3.92Å; R81-L86 HydrophobicContact CG-CG 4.19Å; R81-L86 PolarHBondContact O-N 2.84Å; R81-L86 VanDerWaalsContact O-N 3.12Å; W82-L86 HydrophobicContact CD2-CB 4.46Å; W82-L86 HydrophobicContact CE3-CB 3.56Å; W82-L86 HydrophobicContact CZ3-CB 3.91Å; W82-L86 PolarHBondContact O-N 3.2Å; W82-L86 VanDerWaalsContact O-N 3.08Å
87N85.8Confident89.4Confident23 Ų2372.1 Ų72.112%0.12337%0.366CS..  trans-48.5123.4-178.8175.8-0.7000110.8W82 E89 L90W82-N87 HydrophobicContact CD2-CB 4.23Å; W82-N87 HydrophobicContact CG-CB 4.37Å; W82-N87 HydrophobicContact CZ2-CB 4.32Å; W82-N87 WeakPolarHBondContact O-CB 3.49Å; W82-N87 PolarHBondContact O-N 3.19Å; N87-E89 PolarHBondContact ND2-OE2 3.24Å; N87-E89 PolarHBondContact O-N 3.41Å; N87-E89 WeakPolarHBondContact OD1-CB 3.37Å; N87-E89 WeakPolarHBondContact OD1-CG 3.22Å; N87-E89 PolarHBondContact OD1-N 3.32Å; N87-L90 HydrophobicContact CB-CD1 4.08Å; N87-L90 HydrophobicContact CB-CG 4.06Å; N87-L90 VanDerWaalsContact O-CB 3.28Å; N87-L90 WeakPolarHBondContact O-CB 3.48Å; N87-L90 WeakPolarHBondContact O-CG 3.28Å; N87-L90 PolarHBondContact O-N 3.33Å
88P84.2Confident89.5Confident104 Ų10475.6 Ų75.668%0.67538%0.382SS*.THydrogen-bonded Turntrans-63.8-19.7-178.426.4-35.9000113.9W82 L90W82-P88 VanDerWaalsContact CH2-CD 3.5Å; W82-P88 VanDerWaalsContact CZ2-CD 3.43Å; W82-P88 HydrophobicContact CZ2-CG 4.48Å; P88-L90 PolarHBondContact O-N 3.07Å
89E83.6Confident89.6Confident144 Ų14476 Ų7667%0.67338%0.383SS*.THydrogen-bonded Turntrans-65.2-17.8172.1-59.7178.912100113.2N87 I91 G124N87-E89 PolarHBondContact ND2-OE2 3.24Å; N87-E89 PolarHBondContact O-N 3.41Å; N87-E89 WeakPolarHBondContact OD1-CB 3.37Å; N87-E89 WeakPolarHBondContact OD1-CG 3.22Å; N87-E89 PolarHBondContact OD1-N 3.32Å; E89-I91 PolarHBondContact O-N 3.38Å; E89-G124 WeakPolarHBondContact O-CA 3.41Å
90L85.5Confident89.7Confident24 Ų2473.4 Ų73.413%0.12637%0.372CS..SBendtrans-74.1114.8-178.1-63.1173.7000111.3N87 P88 K92 G124 I126N87-L90 HydrophobicContact CB-CD1 4.08Å; N87-L90 HydrophobicContact CB-CG 4.06Å; N87-L90 VanDerWaalsContact O-CB 3.28Å; N87-L90 WeakPolarHBondContact O-CB 3.48Å; N87-L90 WeakPolarHBondContact O-CG 3.28Å; N87-L90 PolarHBondContact O-N 3.33Å; P88-L90 PolarHBondContact O-N 3.07Å; L90-K92 PolarHBondContact O-N 3.06Å; L90-G124 CarbonylContact C-O 3.59Å; L90-G124 WeakPolarHBondContact CA-O 3.46Å; L90-I126 HydrophobicContact CD1-CD1 4.31Å; L90-I126 HydrophobicContact CD2-CD1 3.97Å; L90-I126 HydrophobicContact CD2-CG1 3.81Å
91I86.1Confident89.9Confident70 Ų7074.1 Ų74.136%0.35938%0.376SS..  trans-71.996179.2-58.7-179000109.5E89 G93 K123 G124 R125E89-I91 PolarHBondContact O-N 3.38Å; I91-G93 PolarHBondContact O-N 3.45Å; I91-K123 VanDerWaalsContact CD1-O 3.23Å; I91-K123 WeakPolarHBondContact CD1-O 3.41Å; I91-G124 PolarHBondContact N-O 3.4Å; I91-R125 VanDerWaalsContact CG2-CZ 3.48Å; I91-R125 PolarHBondContact O-NH1 2.81Å
92K84.6Confident90Very high145 Ų14575.7 Ų75.763%0.6338%0.381SS*.  trans-88.282.3171.7-66.6162.8-174.4167.80109.1V85 L90V85-K92 WeakPolarHBondContact O-CE 3.31Å; V85-K92 PolarHBondContact O-NZ 3.09Å; L90-K92 PolarHBondContact O-N 3.06Å
93G87Confident90.2Very high36 Ų3674.5 Ų74.537%0.37138%0.377SS..SBendtrans-170.9176.7-177.600000113.8I91 R125I91-G93 PolarHBondContact O-N 3.45Å; G93-R125 PolarHBondContact O-NH1 3.47Å
94P91.3Very high90.5Very high118 Ų11872 Ų7277%0.76637%0.367SS*.PPolyproline II helixtrans-57.4157.7172.828.1-35.9000110.9R125P94-R125 PolarHBondContact O-NH2 3Å
95W94.3Very high90.9Very high51 Ų5171.8 Ų71.819%0.19337%0.367CS..PPolyproline II helixtrans-80.4132175.8-76.182.4000110.5E99 V103 R125 Q129 R133W95-E99 HydrophobicContact CE3-CB 3.71Å; W95-E99 HydrophobicContact CZ3-CB 4Å; W95-V103 HydrophobicContact CH2-CG2 3.99Å; W95-V103 HydrophobicContact CZ3-CG2 3.57Å; W95-R125 HydrophobicContact CH2-CB 4.26Å; W95-R125 HydrophobicContact CH2-CG 4.15Å; W95-R125 HydrophobicContact CZ3-CG 4.35Å; W95-Q129 HydrophobicContact CZ2-CB 3.91Å; W95-R133 HydrophobicContact CD2-CB 4.19Å; W95-R133 HydrophobicContact CD2-CG 3.64Å; W95-R133 HydrophobicContact CE3-CG 3.99Å; W95-R133 HydrophobicContact CG-CG 4.02Å; W95-R133 HydrophobicContact CH2-CB 4.18Å; W95-R133 HydrophobicContact CH2-CG 4.39Å; W95-R133 HydrophobicContact CZ2-CB 3.65Å; W95-R133 HydrophobicContact CZ2-CG 4.04Å; W95-R133 HydrophobicContact CZ3-CG 4.37Å
96T94.8Very high91.3Very high63 Ų6370.1 Ų70.139%0.38736%0.356SS..PPolyproline II helixtrans-86.5161.8171.590.70000110.9E98 E99 D100T96-E98 WeakPolarHBondContact CB-OE2 3.4Å; T96-E98 PolarHBondContact O-N 3.09Å; T96-E98 PolarHBondContact OG1-N 2.89Å; T96-E98 PolarHBondContact OG1-OE2 3.2Å; T96-E99 PolarHBondContact N-OE2 3.35Å; T96-E99 PolarHBondContact O-N 3.08Å; T96-E99 PolarHBondContact OG1-N 3.39Å; T96-D100 PolarHBondContact O-N 3.09Å
97K94.3Very high91.7Very high170 Ų17069 Ų6974%0.73935%0.351SS*.Hα-helixtrans-65.8-29-179.8-65.2-178.6179.7177.80111.8D100 Q101K97-D100 PolarHBondContact O-N 2.66Å; K97-Q101 WeakPolarHBondContact O-CB 3.46Å; K97-Q101 PolarHBondContact O-N 2.7Å
98E94.4Very high92.1Very high118 Ų11875.8 Ų75.855%0.55138%0.381SS*.Hα-helixtrans-80-20.8-178.7-49.768.2-142.400112T96 R102T96-E98 WeakPolarHBondContact CB-OE2 3.4Å; T96-E98 PolarHBondContact O-N 3.09Å; T96-E98 PolarHBondContact OG1-N 2.89Å; T96-E98 PolarHBondContact OG1-OE2 3.2Å; E98-R102 PolarHBondContact O-NE 3.4Å
99E94.4Very high92.7Very high8 Ų877.7 Ų77.74%0.03738%0.379CS..Hα-helixtrans-81.5-45.9166-64.4178.9116.200111.2W95 T96 Q101 R102 V103 R125W95-E99 HydrophobicContact CE3-CB 3.71Å; W95-E99 HydrophobicContact CZ3-CB 4Å; T96-E99 PolarHBondContact N-OE2 3.35Å; T96-E99 PolarHBondContact O-N 3.08Å; T96-E99 PolarHBondContact OG1-N 3.39Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 2.9Å; E99-R102 PolarHBondContact O-N 3.47Å; E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 2.84Å; E99-R125 VanDerWaalsContact CD-NH2 3.33Å; E99-R125 WeakPolarHBondContact OE1-CG 3.49Å; E99-R125 IonicContact OE1-CZ 3.78Å; E99-R125 IonicContact OE1-NE 2.76Å; E99-R125 PolarHBondContact OE1-NE 2.76Å; E99-R125 IonicContact OE1-NH2 2.72Å; E99-R125 PolarHBondContact OE1-NH2 3.12Å; E99-R125 IonicContact OE2-CZ 3.8Å; E99-R125 IonicContact OE2-NE 3.18Å; E99-R125 IonicContact OE2-NH2 3.82Å; E99-R125 PolarHBondContact OE2-NH2 3.02Å
100D95.3Very high93.2Very high19 Ų1973 Ų7310%0.10236%0.356CS..Hα-helixtrans-58-46.2176.5-78.6-23.5000111.5T96 K97 R102 V103 I104 R133 L138T96-D100 PolarHBondContact O-N 3.09Å; K97-D100 PolarHBondContact O-N 2.66Å; D100-R102 PolarHBondContact O-N 2.86Å; D100-V103 WeakPolarHBondContact O-CB 3.49Å; D100-V103 PolarHBondContact O-N 2.95Å; D100-V103 VanDerWaalsContact O-N 3.17Å; D100-I104 WeakPolarHBondContact O-CG1 3.45Å; D100-I104 PolarHBondContact O-N 3.34Å; D100-R133 WeakPolarHBondContact OD1-CG 3.47Å; D100-R133 IonicContact OD1-CZ 3.16Å; D100-R133 IonicContact OD1-NE 3.38Å; D100-R133 PolarHBondContact OD1-NE 2.89Å; D100-R133 IonicContact OD1-NH2 2.7Å; D100-R133 PolarHBondContact OD1-NH2 3.31Å; D100-R133 IonicContact OD2-CZ 2.73Å; D100-R133 IonicContact OD2-NE 3.59Å; D100-R133 IonicContact OD2-NH2 2.67Å; D100-R133 PolarHBondContact OD2-NH2 2.94Å; D100-L138 HydrophobicContact CB-CD1 4.08Å; D100-L138 HydrophobicContact CB-CD2 3.74Å
101Q95.9Very high93.5Very high94 Ų9473 Ų7344%0.43936%0.362SS..Hα-helixtrans-59.7-45.2176.4179.457.927.900111.7K97 E99 V103 I104 E105K97-Q101 WeakPolarHBondContact O-CB 3.46Å; K97-Q101 PolarHBondContact O-N 2.7Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 2.9Å; Q101-V103 PolarHBondContact O-N 2.69Å; Q101-I104 WeakPolarHBondContact O-CB 3.4Å; Q101-I104 PolarHBondContact O-N 2.76Å; Q101-I104 VanDerWaalsContact O-N 3.14Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.26Å; Q101-E105 PolarHBondContact NE2-OE1 3.36Å; Q101-E105 WeakPolarHBondContact O-CG 3.14Å; Q101-E105 PolarHBondContact O-N 3.36Å
102R95Very high93.9Very high88 Ų8872.9 Ų72.933%0.33237%0.365SS..Hα-helixtrans-65.3-36.7174.4-80.5-176.1-68.1152.3-5112.4E98 E99 D100 I104 E105 L106 L122E98-R102 PolarHBondContact O-NE 3.4Å; E99-R102 PolarHBondContact O-N 3.47Å; D100-R102 PolarHBondContact O-N 2.86Å; R102-I104 VanDerWaalsContact C-N 3.29Å; R102-I104 PolarHBondContact O-N 2.73Å; R102-E105 PolarHBondContact O-N 3.28Å; R102-L106 HydrophobicContact CB-CD1 4.37Å; R102-L106 WeakPolarHBondContact O-CB 3.46Å; R102-L106 VanDerWaalsContact O-CD1 3.25Å; R102-L106 WeakPolarHBondContact O-CD1 3.44Å; R102-L106 WeakPolarHBondContact O-CG 3.35Å; R102-L106 PolarHBondContact O-N 2.94Å; R102-L122 HydrophobicContact CB-CD2 3.74Å
103V95.8Very high94.3Very high0 Ų074.8 Ų74.80%037%0.373CS..Hα-helixtrans-60.3-41.5172.1173.20000110.5W95 E99 D100 Q101 V107 L122 W134 L138W95-V103 HydrophobicContact CH2-CG2 3.99Å; W95-V103 HydrophobicContact CZ3-CG2 3.57Å; E99-V103 WeakPolarHBondContact O-CG2 3.45Å; E99-V103 PolarHBondContact O-N 2.84Å; D100-V103 WeakPolarHBondContact O-CB 3.49Å; D100-V103 PolarHBondContact O-N 2.95Å; D100-V103 VanDerWaalsContact O-N 3.17Å; Q101-V103 PolarHBondContact O-N 2.69Å; V103-V107 HydrophobicContact CG1-CG2 4.18Å; V103-V107 VanDerWaalsContact O-CB 3.3Å; V103-V107 WeakPolarHBondContact O-CB 3.5Å; V103-V107 WeakPolarHBondContact O-CG2 3.37Å; V103-V107 PolarHBondContact O-N 3.33Å; V103-L122 HydrophobicContact CG2-CD1 3.59Å; V103-L122 HydrophobicContact CG2-CD2 4.47Å; V103-W134 HydrophobicContact CG1-CB 4.4Å; V103-W134 HydrophobicContact CG1-CE3 4.34Å; V103-L138 HydrophobicContact CB-CD1 3.76Å; V103-L138 HydrophobicContact CG1-CD1 3.67Å
104I95.4Very high94.6Very high55 Ų5579.6 Ų79.628%0.28238%0.38SS..Hα-helixtrans-61.8-52.9177.2-66159.5000110.9D100 Q101 R102 L106 V107 Q108 W134 L138D100-I104 WeakPolarHBondContact O-CG1 3.45Å; D100-I104 PolarHBondContact O-N 3.34Å; Q101-I104 WeakPolarHBondContact O-CB 3.4Å; Q101-I104 PolarHBondContact O-N 2.76Å; Q101-I104 VanDerWaalsContact O-N 3.14Å; R102-I104 VanDerWaalsContact C-N 3.29Å; R102-I104 PolarHBondContact O-N 2.73Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.45Å; I104-V107 PolarHBondContact O-N 2.85Å; I104-Q108 WeakPolarHBondContact O-CB 3.29Å; I104-Q108 PolarHBondContact O-N 2.9Å; I104-W134 HydrophobicContact CB-CZ3 4.4Å; I104-W134 HydrophobicContact CG1-CZ3 4.01Å; I104-L138 HydrophobicContact CD1-CB 4.48Å; I104-L138 HydrophobicContact CD1-CD2 4.49Å; I104-L138 HydrophobicContact CG1-CB 4.09Å; I104-L138 HydrophobicContact CG1-CD1 4.36Å
105E95.9Very high94.8Very high94 Ų9475.2 Ų75.244%0.43935%0.348SS..Hα-helixtrans-59.2-43.2178.7-69.9163.6-172.800112.5Q101 R102 Q108 K109Q101-E105 WeakPolarHBondContact CG-OE1 3.26Å; Q101-E105 PolarHBondContact NE2-OE1 3.36Å; Q101-E105 WeakPolarHBondContact O-CG 3.14Å; Q101-E105 PolarHBondContact O-N 3.36Å; R102-E105 PolarHBondContact O-N 3.28Å; E105-Q108 PolarHBondContact O-N 3.39Å; E105-K109 WeakPolarHBondContact O-CB 3.33Å; E105-K109 PolarHBondContact O-N 3.04Å
106L96.1Very high94.8Very high20 Ų2077.4 Ų77.411%0.10537%0.371CS..Hα-helixtrans-71.3-32.8179.5-67.1165.9000112.2R102 I104 Y110 I118 H121 L122R102-L106 HydrophobicContact CB-CD1 4.37Å; R102-L106 WeakPolarHBondContact O-CB 3.46Å; R102-L106 VanDerWaalsContact O-CD1 3.25Å; R102-L106 WeakPolarHBondContact O-CD1 3.44Å; R102-L106 WeakPolarHBondContact O-CG 3.35Å; R102-L106 PolarHBondContact O-N 2.94Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 3.45Å; L106-Y110 HydrophobicContact CB-CD2 4.43Å; L106-Y110 HydrophobicContact CD2-CD2 4.11Å; L106-Y110 HydrophobicContact CD2-CE2 3.73Å; L106-Y110 WeakPolarHBondContact O-CB 3.34Å; L106-Y110 WeakPolarHBondContact O-CD2 3.28Å; L106-Y110 PolarHBondContact O-N 2.92Å; L106-I118 HydrophobicContact CB-CB 4.39Å; L106-I118 HydrophobicContact CB-CG1 4.12Å; L106-I118 HydrophobicContact CB-CG2 3.89Å; L106-I118 HydrophobicContact CD1-CG2 4.17Å; L106-H121 HydrophobicContact CD1-CB 3.57Å; L106-H121 HydrophobicContact CD2-CB 3.56Å; L106-H121 HydrophobicContact CG-CB 4.24Å; L106-L122 HydrophobicContact CD1-CD1 4.33Å; L106-L122 HydrophobicContact CD1-CD2 4.28Å; L106-L122 HydrophobicContact CD1-CG 3.97Å
107V96.1Very high94.7Very high5 Ų577.1 Ų77.13%0.0337%0.369CS..Hα-helixtrans-72.7-36.2171.7171.10000111.2V103 I104 G111 P112 W115 I118 W134V103-V107 HydrophobicContact CG1-CG2 4.18Å; V103-V107 VanDerWaalsContact O-CB 3.3Å; V103-V107 WeakPolarHBondContact O-CB 3.5Å; V103-V107 WeakPolarHBondContact O-CG2 3.37Å; V103-V107 PolarHBondContact O-N 3.33Å; I104-V107 PolarHBondContact O-N 2.85Å; V107-G111 WeakPolarHBondContact O-CA 3.49Å; V107-G111 PolarHBondContact O-N 3.19Å; V107-P112 HydrophobicContact CG1-CB 3.91Å; V107-W115 HydrophobicContact CG2-CH2 3.64Å; V107-W115 HydrophobicContact CG2-CZ3 3.55Å; V107-I118 HydrophobicContact CG2-CD1 3.73Å; V107-W134 HydrophobicContact CB-CD2 4.29Å; V107-W134 HydrophobicContact CB-CE3 3.97Å; V107-W134 HydrophobicContact CB-CH2 4.28Å; V107-W134 HydrophobicContact CB-CZ3 3.97Å; V107-W134 HydrophobicContact CG1-CD2 3.89Å; V107-W134 HydrophobicContact CG1-CE3 3.98Å; V107-W134 HydrophobicContact CG1-CH2 3.74Å; V107-W134 HydrophobicContact CG1-CZ2 3.64Å; V107-W134 HydrophobicContact CG1-CZ3 3.91Å; V107-W134 HydrophobicContact CG2-CD2 4.03Å; V107-W134 HydrophobicContact CG2-CE3 3.89Å; V107-W134 HydrophobicContact CG2-CG 4.4Å; V107-W134 HydrophobicContact CG2-CZ3 4.41Å
108Q95.2Very high94.7Very high165 Ų16569 Ų6977%0.77133%0.334SS*.Hα-helixtrans-64.4-42.1172.9-172177.1200111.4I104 E105I104-Q108 WeakPolarHBondContact O-CB 3.29Å; I104-Q108 PolarHBondContact O-N 2.9Å; E105-Q108 PolarHBondContact O-N 3.39Å
109K95.1Very high94.7Very high145 Ų14564.1 Ų64.163%0.6331%0.314SS*.Hα-helixtrans-74-42.7179.3-173.4-179.6-178.6-170.40113.9E105E105-K109 WeakPolarHBondContact O-CB 3.33Å; E105-K109 PolarHBondContact O-N 3.04Å
110Y94.2Very high94.6Very high46 Ų4672.5 Ų72.518%0.1835%0.35CS..Hα-helixtrans-107.9-8.6-172.4-60.9-63.8000114.7L106 R114 V117 I118 H121L106-Y110 HydrophobicContact CB-CD2 4.43Å; L106-Y110 HydrophobicContact CD2-CD2 4.11Å; L106-Y110 HydrophobicContact CD2-CE2 3.73Å; L106-Y110 WeakPolarHBondContact O-CB 3.34Å; L106-Y110 WeakPolarHBondContact O-CD2 3.28Å; L106-Y110 PolarHBondContact O-N 2.92Å; Y110-R114 VanDerWaalsContact O-CZ 3.28Å; Y110-R114 PolarHBondContact O-NE 3.05Å; Y110-R114 PolarHBondContact O-NH2 3.23Å; Y110-V117 HydrophobicContact CD2-CG1 4.49Å; Y110-V117 HydrophobicContact CE1-CG1 4.48Å; Y110-V117 HydrophobicContact CE2-CG1 4.42Å; Y110-I118 HydrophobicContact CD2-CG1 4.45Å; Y110-H121 AromaticContact CE2-CD2 3.59Å; Y110-H121 AromaticContact CE2-NE2 3.49Å; Y110-H121 WeakPolarHBondContact CE2-NE2 3Å; Y110-H121 AromaticContact CZ-NE2 3.55Å; Y110-H121 PolarHBondContact OH-NE2 3.17Å
111G93.4Very high94.4Very high24 Ų2475.8 Ų75.825%0.24737%0.365CS..  trans77.3154.1-176.600000113.6V107 K113 R114V107-G111 WeakPolarHBondContact O-CA 3.49Å; V107-G111 PolarHBondContact O-N 3.19Å; G111-K113 PolarHBondContact O-N 3.07Å; G111-R114 PolarHBondContact O-N 2.79Å
112P92.9Very high94.1Very high66 Ų6671.8 Ų71.843%0.42935%0.346SS..THydrogen-bonded Turntrans-74.137.5-174.931.6-37.3000114.4V107 W115V107-P112 HydrophobicContact CG1-CB 3.91Å; P112-W115 VanDerWaalsContact CA-CZ2 3.46Å; P112-W115 HydrophobicContact CB-CH2 4.1Å; P112-W115 HydrophobicContact CB-CZ2 3.73Å; P112-W115 VanDerWaalsContact O-CE2 3.32Å; P112-W115 WeakPolarHBondContact O-CZ2 3.49Å; P112-W115 PolarHBondContact O-NE1 2.94Å; P112-W115 VanDerWaalsContact O-NE1 3.07Å
113K93Very high93.8Very high185 Ų18576 Ų7680%0.80437%0.367SS*.THydrogen-bonded Turntrans-125.4-35.9178.5-63-178.5-179.41780112.3G111 W115G111-K113 PolarHBondContact O-N 3.07Å; K113-W115 VanDerWaalsContact C-N 3.28Å; K113-W115 VanDerWaalsContact O-CD1 3.24Å; K113-W115 PolarHBondContact O-N 2.81Å
114R93.7Very high93.4Very high137 Ų13776.9 Ų76.952%0.51738%0.376SS..  trans-87.749.8-170.9-70.3-174.7-78.6-165.3-5.4113.6Y110 G111 S116 V117 I118Y110-R114 VanDerWaalsContact O-CZ 3.28Å; Y110-R114 PolarHBondContact O-NE 3.05Å; Y110-R114 PolarHBondContact O-NH2 3.23Å; G111-R114 PolarHBondContact O-N 2.79Å; R114-S116 VanDerWaalsContact C-N 3.3Å; R114-S116 PolarHBondContact O-N 2.78Å; R114-V117 HydrophobicContact CB-CB 4.22Å; R114-V117 HydrophobicContact CB-CG2 4.18Å; R114-V117 WeakPolarHBondContact O-CB 3.16Å; R114-V117 PolarHBondContact O-N 3.16Å; R114-I118 PolarHBondContact O-N 3.45Å
115W95.4Very high93.3Very high27 Ų2774.7 Ų74.710%0.10236%0.364CS..Hα-helixtrans-56.7-35.1-172.6-60.1108.1000115V107 P112 K113 V117 I118 A119 G127 C130 R131 W134 H135V107-W115 HydrophobicContact CG2-CH2 3.64Å; V107-W115 HydrophobicContact CG2-CZ3 3.55Å; P112-W115 VanDerWaalsContact CA-CZ2 3.46Å; P112-W115 HydrophobicContact CB-CH2 4.1Å; P112-W115 HydrophobicContact CB-CZ2 3.73Å; P112-W115 VanDerWaalsContact O-CE2 3.32Å; P112-W115 WeakPolarHBondContact O-CZ2 3.49Å; P112-W115 PolarHBondContact O-NE1 2.94Å; P112-W115 VanDerWaalsContact O-NE1 3.07Å; K113-W115 VanDerWaalsContact C-N 3.28Å; K113-W115 VanDerWaalsContact O-CD1 3.24Å; K113-W115 PolarHBondContact O-N 2.81Å; W115-V117 VanDerWaalsContact C-N 3.32Å; W115-I118 HydrophobicContact CD2-CD1 4.35Å; W115-I118 HydrophobicContact CE3-CD1 3.74Å; W115-I118 HydrophobicContact CZ3-CD1 3.86Å; W115-A119 WeakPolarHBondContact O-CB 3.37Å; W115-A119 PolarHBondContact O-N 3.29Å; W115-G127 WeakPolarHBondContact O-CA 3.33Å; W115-C130 HydrophobicContact CE3-CB 4.2Å; W115-R131 HydrophobicContact CB-CB 4.48Å; W115-R131 HydrophobicContact CD2-CB 3.58Å; W115-R131 HydrophobicContact CD2-CG 3.98Å; W115-R131 HydrophobicContact CE3-CB 3.93Å; W115-R131 HydrophobicContact CG-CB 3.8Å; W115-R131 HydrophobicContact CG-CG 4.21Å; W115-R131 HydrophobicContact CZ2-CB 4.49Å; W115-R131 HydrophobicContact CZ2-CG 4.22Å; W115-W134 HydrophobicContact CH2-CB 3.52Å; W115-W134 AromaticContact CH2-CD1 3.61Å; W115-W134 HydrophobicContact CH2-CD2 4.36Å; W115-W134 AromaticContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CZ2-CG 4.42Å; W115-W134 HydrophobicContact CZ3-CB 3.84Å; W115-W134 HydrophobicContact CZ3-CG 4.25Å; W115-H135 AromaticContact CZ2-CE1 3.55Å
116S93.8Very high93.1Very high96 Ų9672.7 Ų72.767%0.67136%0.356SS*.Hα-helixtrans-71.2-24.5175.5-49.80000113.6R114R114-S116 VanDerWaalsContact C-N 3.3Å; R114-S116 PolarHBondContact O-N 2.78Å
117V93.9Very high93Very high57 Ų5772.2 Ų72.235%0.34536%0.356SS..Hα-helixtrans-81.4-44.4174.7-176.90000109.9Y110 R114 W115 A119 K120 H121Y110-V117 HydrophobicContact CD2-CG1 4.49Å; Y110-V117 HydrophobicContact CE1-CG1 4.48Å; Y110-V117 HydrophobicContact CE2-CG1 4.42Å; R114-V117 HydrophobicContact CB-CB 4.22Å; R114-V117 HydrophobicContact CB-CG2 4.18Å; R114-V117 WeakPolarHBondContact O-CB 3.16Å; R114-V117 PolarHBondContact O-N 3.16Å; W115-V117 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 3.37Å; V117-K120 WeakPolarHBondContact O-CB 3.37Å; V117-K120 PolarHBondContact O-N 3.21Å; V117-H121 PolarHBondContact O-CD2 3.12Å
118I94.6Very high92.8Very high0 Ų079.3 Ų79.30%039%0.386CS..Hα-helixtrans-54.3-43.6173.9-66.2161.5000110.4L106 V107 Y110 R114 W115 K120 H121 L122 C130L106-I118 HydrophobicContact CB-CB 4.39Å; L106-I118 HydrophobicContact CB-CG1 4.12Å; L106-I118 HydrophobicContact CB-CG2 3.89Å; L106-I118 HydrophobicContact CD1-CG2 4.17Å; V107-I118 HydrophobicContact CG2-CD1 3.73Å; Y110-I118 HydrophobicContact CD2-CG1 4.45Å; R114-I118 PolarHBondContact O-N 3.45Å; W115-I118 HydrophobicContact CD2-CD1 4.35Å; W115-I118 HydrophobicContact CE3-CD1 3.74Å; W115-I118 HydrophobicContact CZ3-CD1 3.86Å; I118-K120 PolarHBondContact O-N 3.46Å; I118-H121 PolarHBondContact O-N 3.25Å; I118-L122 HydrophobicContact CG2-CD1 4.1Å; I118-C130 HydrophobicContact CG2-CB 4.31Å
119A94Very high92.8Very high15 Ų1574.1 Ų74.112%0.12436%0.362CS..Hα-helixtrans-58.1-39.4175.500000114W115 V117 H121 L122 R125W115-A119 WeakPolarHBondContact O-CB 3.37Å; W115-A119 PolarHBondContact O-N 3.29Å; V117-A119 PolarHBondContact O-N 3.37Å; A119-H121 PolarHBondContact O-N 3.43Å; A119-H121 VanDerWaalsContact O-N 3.17Å; A119-L122 PolarHBondContact O-N 3.45Å; A119-R125 WeakPolarHBondContact CB-O 3.45Å
120K92.1Very high92.8Very high184 Ų18467.2 Ų67.280%0.833%0.332SS*.Hα-helixtrans-63.7-20.9179.4-71.9-176.1176.4-167.10113.5V117 I118V117-K120 WeakPolarHBondContact O-CB 3.37Å; V117-K120 PolarHBondContact O-N 3.21Å; I118-K120 PolarHBondContact O-N 3.46Å
121H90.8Very high92.8Very high89 Ų8971 Ų7141%0.41235%0.346SS..THydrogen-bonded Turntrans-93.31.4176-64.4-70.4000113.4L106 Y110 V117 I118 A119L106-H121 HydrophobicContact CD1-CB 3.57Å; L106-H121 HydrophobicContact CD2-CB 3.56Å; L106-H121 HydrophobicContact CG-CB 4.24Å; Y110-H121 AromaticContact CE2-CD2 3.59Å; Y110-H121 AromaticContact CE2-NE2 3.49Å; Y110-H121 WeakPolarHBondContact CE2-NE2 3Å; Y110-H121 AromaticContact CZ-NE2 3.55Å; Y110-H121 PolarHBondContact OH-NE2 3.17Å; V117-H121 PolarHBondContact O-CD2 3.12Å; I118-H121 PolarHBondContact O-N 3.25Å; A119-H121 PolarHBondContact O-N 3.43Å; A119-H121 VanDerWaalsContact O-N 3.17Å
122L90.8Very high92.9Very high9 Ų974.2 Ų74.25%0.04735%0.354CS..SBendtrans-116.8125.7178.2-66.8163000109.2R102 V103 L106 I118 A119 G124 R125 C130R102-L122 HydrophobicContact CB-CD2 3.74Å; V103-L122 HydrophobicContact CG2-CD1 3.59Å; V103-L122 HydrophobicContact CG2-CD2 4.47Å; L106-L122 HydrophobicContact CD1-CD1 4.33Å; L106-L122 HydrophobicContact CD1-CD2 4.28Å; L106-L122 HydrophobicContact CD1-CG 3.97Å; I118-L122 HydrophobicContact CG2-CD1 4.1Å; A119-L122 PolarHBondContact O-N 3.45Å; L122-G124 PolarHBondContact O-N 3.5Å; L122-R125 HydrophobicContact CB-CB 4.05Å; L122-C130 VanDerWaalsContact CD1-SG 3.54Å
123K87.7Confident93Very high178 Ų17873.6 Ų73.677%0.77434%0.343SS*.THydrogen-bonded Turntrans-68120.6178.2-64.7-171.2176.9-170.70108.7I91 R125I91-K123 VanDerWaalsContact CD1-O 3.23Å; I91-K123 WeakPolarHBondContact CD1-O 3.41Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 2.89Å
124G87.3Confident93.1Very high18 Ų1866.1 Ų66.119%0.18631%0.31CS..THydrogen-bonded Turntrans68.79.3172.400000117.9E89 L90 I91 L122E89-G124 WeakPolarHBondContact O-CA 3.41Å; L90-G124 CarbonylContact C-O 3.59Å; L90-G124 WeakPolarHBondContact CA-O 3.46Å; I91-G124 PolarHBondContact N-O 3.4Å; L122-G124 PolarHBondContact O-N 3.5Å
125R92.6Very high93Very high8 Ų862.5 Ų62.53%0.0330%0.299CS..  trans-108.3127.4178.1-62.4-61.5-168.5165.614.2111.7I91 G93 P94 W95 E99 A119 L122 K123I91-R125 VanDerWaalsContact CG2-CZ 3.48Å; I91-R125 PolarHBondContact O-NH1 2.81Å; G93-R125 PolarHBondContact O-NH1 3.47Å; P94-R125 PolarHBondContact O-NH2 3Å; W95-R125 HydrophobicContact CH2-CB 4.26Å; W95-R125 HydrophobicContact CH2-CG 4.15Å; W95-R125 HydrophobicContact CZ3-CG 4.35Å; E99-R125 VanDerWaalsContact CD-NH2 3.33Å; E99-R125 WeakPolarHBondContact OE1-CG 3.49Å; E99-R125 IonicContact OE1-CZ 3.78Å; E99-R125 IonicContact OE1-NE 2.76Å; E99-R125 PolarHBondContact OE1-NE 2.76Å; E99-R125 IonicContact OE1-NH2 2.72Å; E99-R125 PolarHBondContact OE1-NH2 3.12Å; E99-R125 IonicContact OE2-CZ 3.8Å; E99-R125 IonicContact OE2-NE 3.18Å; E99-R125 IonicContact OE2-NH2 3.82Å; E99-R125 PolarHBondContact OE2-NH2 3.02Å; A119-R125 WeakPolarHBondContact CB-O 3.45Å; L122-R125 HydrophobicContact CB-CB 4.05Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 2.89Å
126I92.6Very high92.9Very high53 Ų5362.1 Ų62.127%0.27230%0.299SS..  trans-82.5144.7-177.4-56.1173.9000109.9K84 L90 K128 Q129 C130K84-I126 HydrophobicContact CB-CD1 4.5Å; K84-I126 VanDerWaalsContact O-CD1 3.29Å; K84-I126 WeakPolarHBondContact O-CD1 3.44Å; L90-I126 HydrophobicContact CD1-CD1 4.31Å; L90-I126 HydrophobicContact CD2-CD1 3.97Å; L90-I126 HydrophobicContact CD2-CG1 3.81Å; I126-K128 HydrophobicContact CG2-CB 4.48Å; I126-K128 PolarHBondContact O-N 2.67Å; I126-Q129 HydrophobicContact CB-CG 4.41Å; I126-Q129 WeakPolarHBondContact O-CA 3.47Å; I126-Q129 WeakPolarHBondContact O-CB 3.37Å; I126-Q129 PolarHBondContact O-N 2.7Å; I126-C130 PolarHBondContact O-N 3.07Å; I126-C130 PolarHBondContact O-SG 3.19Å
127G93.7Very high92.8Very high9 Ų961.5 Ų61.59%0.09329%0.285CS..Hα-helixtrans-54.8-30.2-17900000114.8W115 C130 R131W115-G127 WeakPolarHBondContact O-CA 3.33Å; G127-C130 PolarHBondContact O-N 3.03Å; G127-R131 WeakPolarHBondContact O-CB 3.17Å; G127-R131 PolarHBondContact O-N 3.39Å
128K92.7Very high92.7Very high154 Ų15459.8 Ų59.867%0.6727%0.274SS*.Hα-helixtrans-60.6-49.4170.7-175.8-172.1171-170.10111.6I126 C130 R131 E132I126-K128 HydrophobicContact CG2-CB 4.48Å; I126-K128 PolarHBondContact O-N 2.67Å; K128-C130 VanDerWaalsContact C-N 3.31Å; K128-C130 PolarHBondContact O-N 3.3Å; K128-R131 PolarHBondContact O-N 3.05Å; K128-E132 VanDerWaalsContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 PolarHBondContact O-N 3.17Å
129Q93.8Very high92.5Very high57 Ų5760.9 Ų60.927%0.26628%0.28SS..Hα-helixtrans-62.5-41.3178.6-58.4169.7-66.900110.3W95 I126 E132 R133W95-Q129 HydrophobicContact CZ2-CB 3.91Å; I126-Q129 HydrophobicContact CB-CG 4.41Å; I126-Q129 WeakPolarHBondContact O-CA 3.47Å; I126-Q129 WeakPolarHBondContact O-CB 3.37Å; I126-Q129 PolarHBondContact O-N 2.7Å; Q129-E132 PolarHBondContact O-N 3.05Å; Q129-R133 VanDerWaalsContact O-CB 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.38Å; Q129-R133 PolarHBondContact O-N 3.44Å
130C95Very high92.3Very high0 Ų065.7 Ų65.70%031%0.31CS..Hα-helixtrans-61.3-46.2177.1-54.20000111.7W115 I118 L122 I126 G127 K128 W134W115-C130 HydrophobicContact CE3-CB 4.2Å; I118-C130 HydrophobicContact CG2-CB 4.31Å; L122-C130 VanDerWaalsContact CD1-SG 3.54Å; I126-C130 PolarHBondContact O-N 3.07Å; I126-C130 PolarHBondContact O-SG 3.19Å; G127-C130 PolarHBondContact O-N 3.03Å; K128-C130 VanDerWaalsContact C-N 3.31Å; K128-C130 PolarHBondContact O-N 3.3Å; C130-W134 WeakPolarHBondContact O-CB 3.42Å; C130-W134 PolarHBondContact O-N 2.91Å
131R95.3Very high92.1Very high125 Ų12563.8 Ų63.847%0.47230%0.304SS..Hα-helixtrans-58.4-49.1174.4-176.8-175.9175.1-79.3-7.9111.2W115 G127 K128 W134 H135W115-R131 HydrophobicContact CB-CB 4.48Å; W115-R131 HydrophobicContact CD2-CB 3.58Å; W115-R131 HydrophobicContact CD2-CG 3.98Å; W115-R131 HydrophobicContact CE3-CB 3.93Å; W115-R131 HydrophobicContact CG-CB 3.8Å; W115-R131 HydrophobicContact CG-CG 4.21Å; W115-R131 HydrophobicContact CZ2-CB 4.49Å; W115-R131 HydrophobicContact CZ2-CG 4.22Å; G127-R131 WeakPolarHBondContact O-CB 3.17Å; G127-R131 PolarHBondContact O-N 3.39Å; K128-R131 PolarHBondContact O-N 3.05Å; R131-W134 PolarHBondContact O-N 3.36Å; R131-H135 VanDerWaalsContact CG-CE1 3.49Å; R131-H135 WeakPolarHBondContact CG-CE1 3.28Å; R131-H135 WeakPolarHBondContact CG-ND1 3.45Å; R131-H135 PolarHBondContact O-N 3.32Å; R131-H135 PolarHBondContact O-ND1 3.42Å
132E94.6Very high92.1Very high91 Ų9160.5 Ų60.543%0.42529%0.29SS..Hα-helixtrans-65.2-41.6-176.5-170.7167.417500111.6K128 Q129 N136K128-E132 VanDerWaalsContact O-CB 3.31Å; K128-E132 WeakPolarHBondContact O-CB 3.31Å; K128-E132 PolarHBondContact O-N 3.17Å; Q129-E132 PolarHBondContact O-N 3.05Å; E132-N136 VanDerWaalsContact O-CB 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.43Å; E132-N136 PolarHBondContact O-N 3.46Å; E132-N136 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-ND2 3.28Å; E132-N136 VanDerWaalsContact O-ND2 3.13Å
133R95.1Very high91.8Very high53 Ų5364.8 Ų64.820%0.231%0.308CS..Hα-helixtrans-64.2-45.1174-173.262.3173179.1-2.7111.9W95 D100 Q129 H137 L138W95-R133 HydrophobicContact CD2-CB 4.19Å; W95-R133 HydrophobicContact CD2-CG 3.64Å; W95-R133 HydrophobicContact CE3-CG 3.99Å; W95-R133 HydrophobicContact CG-CG 4.02Å; W95-R133 HydrophobicContact CH2-CB 4.18Å; W95-R133 HydrophobicContact CH2-CG 4.39Å; W95-R133 HydrophobicContact CZ2-CB 3.65Å; W95-R133 HydrophobicContact CZ2-CG 4.04Å; W95-R133 HydrophobicContact CZ3-CG 4.37Å; D100-R133 WeakPolarHBondContact OD1-CG 3.47Å; D100-R133 IonicContact OD1-CZ 3.16Å; D100-R133 IonicContact OD1-NE 3.38Å; D100-R133 PolarHBondContact OD1-NE 2.89Å; D100-R133 IonicContact OD1-NH2 2.7Å; D100-R133 PolarHBondContact OD1-NH2 3.31Å; D100-R133 IonicContact OD2-CZ 2.73Å; D100-R133 IonicContact OD2-NE 3.59Å; D100-R133 IonicContact OD2-NH2 2.67Å; D100-R133 PolarHBondContact OD2-NH2 2.94Å; Q129-R133 VanDerWaalsContact O-CB 3.31Å; Q129-R133 WeakPolarHBondContact O-CB 3.38Å; Q129-R133 PolarHBondContact O-N 3.44Å; R133-H137 PolarHBondContact O-N 3Å; R133-L138 HydrophobicContact CG-CD1 3.78Å; R133-L138 HydrophobicContact CG-CG 4.07Å; R133-L138 PolarHBondContact O-N 2.99Å
134W95.1Very high91.9Very high28 Ų2863.8 Ų63.811%0.10630%0.304CS..Iπ-helixtrans-58-58.7176.5176.2-96.8000112V103 I104 V107 W115 C130 R131 N136 H137 L138 N139V103-W134 HydrophobicContact CG1-CB 4.4Å; V103-W134 HydrophobicContact CG1-CE3 4.34Å; I104-W134 HydrophobicContact CB-CZ3 4.4Å; I104-W134 HydrophobicContact CG1-CZ3 4.01Å; V107-W134 HydrophobicContact CB-CD2 4.29Å; V107-W134 HydrophobicContact CB-CE3 3.97Å; V107-W134 HydrophobicContact CB-CH2 4.28Å; V107-W134 HydrophobicContact CB-CZ3 3.97Å; V107-W134 HydrophobicContact CG1-CD2 3.89Å; V107-W134 HydrophobicContact CG1-CE3 3.98Å; V107-W134 HydrophobicContact CG1-CH2 3.74Å; V107-W134 HydrophobicContact CG1-CZ2 3.64Å; V107-W134 HydrophobicContact CG1-CZ3 3.91Å; V107-W134 HydrophobicContact CG2-CD2 4.03Å; V107-W134 HydrophobicContact CG2-CE3 3.89Å; V107-W134 HydrophobicContact CG2-CG 4.4Å; V107-W134 HydrophobicContact CG2-CZ3 4.41Å; W115-W134 HydrophobicContact CH2-CB 3.52Å; W115-W134 AromaticContact CH2-CD1 3.61Å; W115-W134 HydrophobicContact CH2-CD2 4.36Å; W115-W134 AromaticContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CZ2-CG 4.42Å; W115-W134 HydrophobicContact CZ3-CB 3.84Å; W115-W134 HydrophobicContact CZ3-CG 4.25Å; C130-W134 WeakPolarHBondContact O-CB 3.42Å; C130-W134 PolarHBondContact O-N 2.91Å; R131-W134 PolarHBondContact O-N 3.36Å; W134-N136 VanDerWaalsContact C-N 3.27Å; W134-N136 PolarHBondContact O-N 3.06Å; W134-H137 PolarHBondContact O-N 3.13Å; W134-L138 HydrophobicContact CE3-CB 3.76Å; W134-L138 HydrophobicContact CZ3-CB 4.19Å; W134-L138 PolarHBondContact O-N 3.12Å; W134-L138 VanDerWaalsContact O-N 3.14Å; W134-N139 HydrophobicContact CD2-CB 4.34Å; W134-N139 HydrophobicContact CZ2-CB 4.02Å; W134-N139 WeakPolarHBondContact O-CB 3.28Å; W134-N139 PolarHBondContact O-N 2.87Å
135H93.1Very high92Very high61 Ų6167.1 Ų67.128%0.28232%0.321SS..Iπ-helixtrans-65.3-29.2-173.4-70.473.5000112.8W115 R131 V142 T177W115-H135 AromaticContact CZ2-CE1 3.55Å; R131-H135 VanDerWaalsContact CG-CE1 3.49Å; R131-H135 WeakPolarHBondContact CG-CE1 3.28Å; R131-H135 WeakPolarHBondContact CG-ND1 3.45Å; R131-H135 PolarHBondContact O-N 3.32Å; R131-H135 PolarHBondContact O-ND1 3.42Å; H135-V142 WeakPolarHBondContact O-CG2 3.03Å; H135-T177 VanDerWaalsContact O-CG2 3.28Å; H135-T177 WeakPolarHBondContact O-CG2 3.37Å
136N93.5Very high92Very high20 Ų2071.6 Ų71.611%0.10735%0.353CS..Iπ-helixtrans-93.5-24-177.8-71.9-40.1000115.2E132 W134 T177 N179E132-N136 VanDerWaalsContact O-CB 3.26Å; E132-N136 WeakPolarHBondContact O-CB 3.43Å; E132-N136 PolarHBondContact O-N 3.46Å; E132-N136 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-ND2 3.28Å; E132-N136 VanDerWaalsContact O-ND2 3.13Å; W134-N136 VanDerWaalsContact C-N 3.27Å; W134-N136 PolarHBondContact O-N 3.06Å; N136-T177 PolarHBondContact OD1-OG1 3.23Å; N136-N179 WeakPolarHBondContact OD1-CB 3.1Å
137H90.6Very high92Very high83 Ų8372.3 Ų72.338%0.38435%0.353SS..Iπ-helixtrans-141.5-28.2-167.2-58.8-71.4000116.2R133 W134 K144R133-H137 PolarHBondContact O-N 3Å; W134-H137 PolarHBondContact O-N 3.13Å; H137-K144 WeakPolarHBondContact O-CE 3.37Å; H137-K144 PolarHBondContact O-NZ 3.33Å
138L91.4Very high92Very high20 Ų2074.7 Ų74.711%0.10537%0.365CS..Iπ-helixtrans-107.2-26.2-170.9-50.4178.6000114.2D100 V103 I104 R133 W134 P140D100-L138 HydrophobicContact CB-CD1 4.08Å; D100-L138 HydrophobicContact CB-CD2 3.74Å; V103-L138 HydrophobicContact CB-CD1 3.76Å; V103-L138 HydrophobicContact CG1-CD1 3.67Å; I104-L138 HydrophobicContact CD1-CB 4.48Å; I104-L138 HydrophobicContact CD1-CD2 4.49Å; I104-L138 HydrophobicContact CG1-CB 4.09Å; I104-L138 HydrophobicContact CG1-CD1 4.36Å; R133-L138 HydrophobicContact CG-CD1 3.78Å; R133-L138 HydrophobicContact CG-CG 4.07Å; R133-L138 PolarHBondContact O-N 2.99Å; W134-L138 HydrophobicContact CE3-CB 3.76Å; W134-L138 HydrophobicContact CZ3-CB 4.19Å; W134-L138 PolarHBondContact O-N 3.12Å; W134-L138 VanDerWaalsContact O-N 3.14Å; L138-P140 WeakPolarHBondContact O-CD 3.48Å
139N90.6Very high92Very high24 Ų2471.5 Ų71.513%0.12835%0.353CS..SBendtrans-58.3122.3173.2-177.96.1000110.2W134 E141 V142W134-N139 HydrophobicContact CD2-CB 4.34Å; W134-N139 HydrophobicContact CZ2-CB 4.02Å; W134-N139 WeakPolarHBondContact O-CB 3.28Å; W134-N139 PolarHBondContact O-N 2.87Å; N139-E141 PolarHBondContact ND2-OE2 2.75Å; N139-E141 PolarHBondContact O-N 3.19Å; N139-E141 VanDerWaalsContact O-N 3.11Å; N139-E141 WeakPolarHBondContact OD1-CG 3.39Å; N139-E141 PolarHBondContact OD1-N 3.3Å; N139-E141 PolarHBondContact OD1-OE2 3.21Å; N139-V142 HydrophobicContact CB-CG2 4.07Å; N139-V142 WeakPolarHBondContact O-CB 3.39Å; N139-V142 PolarHBondContact O-N 2.9Å
140P89.4Confident92Very high116 Ų11673.4 Ų73.475%0.75336%0.362SS*.THydrogen-bonded Turntrans-57-23.8179-27.736.7000114.8L138 V142L138-P140 WeakPolarHBondContact O-CD 3.48Å; P140-V142 PolarHBondContact O-N 3.32Å
141E87.9Confident92Very high144 Ų14474.3 Ų74.367%0.67337%0.366SS*.THydrogen-bonded Turntrans-65.6-16.7176.4-58.8172.614600113.4N139 K143 G175N139-E141 PolarHBondContact ND2-OE2 2.75Å; N139-E141 PolarHBondContact O-N 3.19Å; N139-E141 VanDerWaalsContact O-N 3.11Å; N139-E141 WeakPolarHBondContact OD1-CG 3.39Å; N139-E141 PolarHBondContact OD1-N 3.3Å; N139-E141 PolarHBondContact OD1-OE2 3.21Å; E141-K143 PolarHBondContact O-N 2.84Å; E141-G175 WeakPolarHBondContact O-CA 3.18Å
142V90.6Very high91.9Very high20 Ų2068.9 Ų68.912%0.12135%0.346CS..SBendtrans-82110.2-175.8-179.80000111.2H135 N139 P140 K144 G175 T177H135-V142 WeakPolarHBondContact O-CG2 3.03Å; N139-V142 HydrophobicContact CB-CG2 4.07Å; N139-V142 WeakPolarHBondContact O-CB 3.39Å; N139-V142 PolarHBondContact O-N 2.9Å; P140-V142 PolarHBondContact O-N 3.32Å; V142-K144 PolarHBondContact O-N 2.9Å; V142-G175 WeakPolarHBondContact CA-O 3.45Å; V142-T177 HydrophobicContact CG1-CG2 4.04Å; V142-T177 HydrophobicContact CG2-CG2 3.79Å
143K86.3Confident91.9Very high98 Ų9868 Ų6843%0.42634%0.339SS..  trans-66.5116.3176.3-72.3175.2176.5168.20111.5E141 P174 G175 R176E141-K143 PolarHBondContact O-N 2.84Å; K143-P174 WeakPolarHBondContact CD-O 3.34Å; K143-P174 WeakPolarHBondContact CE-O 3.34Å; K143-P174 PolarHBondContact NZ-O 3.37Å; K143-G175 PolarHBondContact N-O 3.18Å; K143-R176 PolarHBondContact O-NH1 2.91Å
144K89.3Confident92Very high158 Ų15868.7 Ų68.769%0.68735%0.346SS*.  trans-96.39.2177.2-65.9164.8-173.9173.10113.2H137 V142H137-K144 WeakPolarHBondContact O-CE 3.37Å; H137-K144 PolarHBondContact O-NZ 3.33Å; V142-K144 PolarHBondContact O-N 2.9Å
145T89.3Confident92Very high88 Ų8867.3 Ų67.354%0.5434%0.341SS..SBendtrans-66.7159.7174.4490000111.8R176T145-R176 PolarHBondContact O-NH1 3.47Å; T145-R176 PolarHBondContact O-NH2 2.79Å; T145-R176 PolarHBondContact OG1-NH2 3.26Å
146S91.5Very high92Very high101 Ų10166 Ų6671%0.70633%0.333SS*.PPolyproline II helixtrans-52.7153.7163.645.30000111.3R176S146-R176 PolarHBondContact O-NH2 3.35Å
147W94.1Very high92.1Very high69 Ų6968.9 Ų68.926%0.26135%0.346SS..PPolyproline II helixtrans-69.5139.9171.4-64.999.4000110.2E151 I155 R176 A180 I181 H184W147-E151 WeakPolarHBondContact CA-OE2 3.19Å; W147-E151 HydrophobicContact CE3-CB 4.11Å; W147-I155 HydrophobicContact CE3-CD1 4.09Å; W147-I155 HydrophobicContact CH2-CD1 4.36Å; W147-I155 HydrophobicContact CZ3-CD1 3.75Å; W147-R176 HydrophobicContact CH2-CB 4.14Å; W147-R176 HydrophobicContact CH2-CG 4.01Å; W147-R176 HydrophobicContact CZ3-CB 4.22Å; W147-R176 HydrophobicContact CZ3-CG 3.7Å; W147-A180 HydrophobicContact CH2-CB 4.16Å; W147-A180 HydrophobicContact CZ2-CB 3.96Å; W147-A180 WeakPolarHBondContact CZ2-O 3.43Å; W147-I181 HydrophobicContact CH2-CG1 3.88Å; W147-I181 HydrophobicContact CZ3-CG1 4.33Å; W147-H184 AromaticContact CD1-CD2 3.94Å; W147-H184 AromaticContact CD1-CE1 3.56Å; W147-H184 AromaticContact CD1-CG 3.65Å; W147-H184 AromaticContact CD1-ND1 3.44Å; W147-H184 AromaticContact CD1-NE2 3.88Å; W147-H184 HydrophobicContact CD2-CB 4.28Å; W147-H184 AromaticContact CD2-CD2 3.55Å; W147-H184 AromaticContact CD2-CG 3.83Å; W147-H184 AromaticContact CD2-NE2 3.89Å; W147-H184 AromaticContact CE2-CD2 3.75Å; W147-H184 AromaticContact CE2-CG 3.58Å; W147-H184 AromaticContact CE3-CD2 3.96Å; W147-H184 AromaticContact CG-CD2 3.7Å; W147-H184 AromaticContact CG-CE1 3.66Å; W147-H184 AromaticContact CG-CG 3.9Å; W147-H184 AromaticContact CG-ND1 3.91Å; W147-H184 AromaticContact CG-NE2 3.55Å; W147-H184 HydrophobicContact CH2-CB 4.43Å; W147-H184 HydrophobicContact CZ2-CB 3.65Å; W147-H184 AromaticContact NE1-CD2 3.97Å; W147-H184 AromaticContact NE1-CG 3.46Å; W147-H184 AromaticContact NE1-ND1 3.62Å
148T93.8Very high92.4Very high59 Ų5965.2 Ų65.236%0.36233%0.33SS..PPolyproline II helixtrans-102.6159173.388.30000111E150 E151 D152T148-E150 WeakPolarHBondContact CB-OE2 3.47Å; T148-E150 PolarHBondContact O-N 2.83Å; T148-E150 PolarHBondContact OG1-N 3.22Å; T148-E150 PolarHBondContact OG1-OE2 3.45Å; T148-E151 PolarHBondContact N-OE2 3.43Å; T148-E151 VanDerWaalsContact N-OE2 3.09Å; T148-E151 WeakPolarHBondContact O-CB 3.08Å; T148-E151 PolarHBondContact O-N 3.08Å; T148-E151 VanDerWaalsContact O-N 3.1Å; T148-E151 PolarHBondContact OG1-N 3.44Å; T148-D152 PolarHBondContact O-N 3.45Å
149E91.6Very high92.5Very high86 Ų8665.9 Ų65.940%0.40233%0.333SS..Hα-helixtrans-66-26.3-179.4-156.7-169.3122.700111.9D152 R153 L199E149-D152 PolarHBondContact O-N 3.18Å; E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 VanDerWaalsContact O-CG 3.25Å; E149-R153 WeakPolarHBondContact O-CG 3.04Å; E149-R153 PolarHBondContact O-N 2.97Å; E149-R153 IonicContact OE1-CZ 3.56Å; E149-R153 IonicContact OE1-NH1 2.82Å; E149-R153 PolarHBondContact OE1-NH1 3.34Å; E149-R153 IonicContact OE2-NH1 2.59Å; E149-L199 HydrophobicContact CG-CD2 3.64Å; E149-L199 WeakPolarHBondContact OE1-CD2 3.48Å
150E93.5Very high92.7Very high97 Ų9772 Ų7245%0.45336%0.358SS..Hα-helixtrans-62.6-45.5171.9-60.657.5-124.500110.9T148 R153 I154T148-E150 WeakPolarHBondContact CB-OE2 3.47Å; T148-E150 PolarHBondContact O-N 2.83Å; T148-E150 PolarHBondContact OG1-N 3.22Å; T148-E150 PolarHBondContact OG1-OE2 3.45Å; E150-R153 PolarHBondContact O-N 3.23Å; E150-R153 IonicContact OE1-CZ 2.74Å; E150-R153 IonicContact OE1-NH1 2.59Å; E150-R153 IonicContact OE1-NH2 2.69Å; E150-R153 PolarHBondContact OE1-NH2 2.95Å; E150-I154 WeakPolarHBondContact O-CD1 3.43Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.25Å; E150-I154 PolarHBondContact O-N 3.18Å
151E95.3Very high93Very high20 Ų2075.2 Ų75.29%0.09336%0.355CS..Hα-helixtrans-64.7-45.2176.1-63.6-179.512300110.4W147 T148 R153 I154 I155 L173 R176W147-E151 WeakPolarHBondContact CA-OE2 3.19Å; W147-E151 HydrophobicContact CE3-CB 4.11Å; T148-E151 PolarHBondContact N-OE2 3.43Å; T148-E151 VanDerWaalsContact N-OE2 3.09Å; T148-E151 WeakPolarHBondContact O-CB 3.08Å; T148-E151 PolarHBondContact O-N 3.08Å; T148-E151 VanDerWaalsContact O-N 3.1Å; T148-E151 PolarHBondContact OG1-N 3.44Å; E151-R153 PolarHBondContact O-N 3.19Å; E151-I154 CarbonylContact O-C 3.59Å; E151-I154 WeakPolarHBondContact O-CB 3.17Å; E151-I154 PolarHBondContact O-N 3.13Å; E151-I154 VanDerWaalsContact O-N 3.16Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.27Å; E151-L173 HydrophobicContact CB-CD2 3.96Å; E151-L173 HydrophobicContact CG-CD2 4.01Å; E151-R176 WeakPolarHBondContact OE1-CG 3.34Å; E151-R176 IonicContact OE1-CZ 2.7Å; E151-R176 IonicContact OE1-NE 2.69Å; E151-R176 PolarHBondContact OE1-NE 3.49Å; E151-R176 IonicContact OE1-NH2 3.71Å; E151-R176 PolarHBondContact OE1-NH2 2.94Å; E151-R176 IonicContact OE2-CZ 2.88Å; E151-R176 IonicContact OE2-NE 3.62Å; E151-R176 PolarHBondContact OE2-NE 3.16Å; E151-R176 IonicContact OE2-NH2 3.83Å; E151-R176 PolarHBondContact OE2-NH2 2.93Å
152D94.6Very high93.3Very high10 Ų1070.9 Ų70.95%0.05334%0.337CS..Hα-helixtrans-61.6-41.4176.7-78.328.5000111.8T148 E149 I154 I155 Y156 H184 M189 L199T148-D152 PolarHBondContact O-N 3.45Å; E149-D152 PolarHBondContact O-N 3.18Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.89Å; D152-I155 PolarHBondContact O-N 3.07Å; D152-Y156 WeakPolarHBondContact O-CB 3.42Å; D152-Y156 PolarHBondContact O-N 2.79Å; D152-H184 VanDerWaalsContact CG-NE2 3.28Å; D152-H184 IonicContact OD1-CD2 2.69Å; D152-H184 PolarHBondContact OD1-CD2 3.5Å; D152-H184 IonicContact OD1-CE1 3.5Å; D152-H184 IonicContact OD1-NE2 3.12Å; D152-H184 PolarHBondContact OD1-NE2 3.11Å; D152-H184 IonicContact OD2-CE1 3.53Å; D152-H184 IonicContact OD2-NE2 3.18Å; D152-H184 PolarHBondContact OD2-NE2 3.04Å; D152-H184 VanDerWaalsContact OD2-NE2 3.14Å; D152-M189 HydrophobicContact CB-CE 3.61Å; D152-M189 HydrophobicContact CB-SD 4.08Å; D152-M189 WeakPolarHBondContact O-CE 3.41Å; D152-L199 HydrophobicContact CB-CD1 3.64Å
153R94.4Very high93.5Very high73 Ų7371.3 Ų71.328%0.27535%0.345SS..Hα-helixtrans-62.2-39.4174.6-74.5-175.2-53.7-103-0.1111.3E149 E150 E151 Q157 L199E149-R153 WeakPolarHBondContact O-CB 3.3Å; E149-R153 VanDerWaalsContact O-CG 3.25Å; E149-R153 WeakPolarHBondContact O-CG 3.04Å; E149-R153 PolarHBondContact O-N 2.97Å; E149-R153 IonicContact OE1-CZ 3.56Å; E149-R153 IonicContact OE1-NH1 2.82Å; E149-R153 PolarHBondContact OE1-NH1 3.34Å; E149-R153 IonicContact OE2-NH1 2.59Å; E150-R153 PolarHBondContact O-N 3.23Å; E150-R153 IonicContact OE1-CZ 2.74Å; E150-R153 IonicContact OE1-NH1 2.59Å; E150-R153 IonicContact OE1-NH2 2.69Å; E150-R153 PolarHBondContact OE1-NH2 2.95Å; E151-R153 PolarHBondContact O-N 3.19Å; R153-Q157 WeakPolarHBondContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 2.97Å; R153-L199 HydrophobicContact CB-CD1 4.47Å; R153-L199 HydrophobicContact CG-CB 4.19Å; R153-L199 HydrophobicContact CG-CD1 3.8Å; R153-L199 HydrophobicContact CG-CD2 3.77Å; R153-L199 HydrophobicContact CG-CG 4.12Å
154I95.4Very high93.9Very high67 Ų6771.9 Ų71.934%0.34435%0.353SS..Hα-helixtrans-65.6-46.2173.3-68.3162.8000110.8E150 E151 D152 Y156 Q157 A158 L172 L173E150-I154 WeakPolarHBondContact O-CD1 3.43Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.25Å; E150-I154 PolarHBondContact O-N 3.18Å; E151-I154 CarbonylContact O-C 3.59Å; E151-I154 WeakPolarHBondContact O-CB 3.17Å; E151-I154 PolarHBondContact O-N 3.13Å; E151-I154 VanDerWaalsContact O-N 3.16Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.89Å; I154-Y156 PolarHBondContact O-N 3.5Å; I154-Q157 PolarHBondContact O-N 3.17Å; I154-A158 WeakPolarHBondContact O-CB 3.44Å; I154-A158 PolarHBondContact O-N 2.87Å; I154-L172 HydrophobicContact CG2-CB 3.85Å; I154-L172 HydrophobicContact CG2-CD1 4.48Å; I154-L173 HydrophobicContact CB-CD2 3.92Å; I154-L173 HydrophobicContact CD1-CD2 4Å; I154-L173 HydrophobicContact CG2-CD1 4.27Å; I154-L173 HydrophobicContact CG2-CD2 3.69Å; I154-L173 HydrophobicContact CG2-CG 3.84Å
155I95.8Very high94.3Very high0 Ų071.3 Ų71.30%035%0.347CS..Hα-helixtrans-59.7-48.5178.1-65.6168.2000110.3W147 E151 D152 A158 H159 L173 I181 W185 M189W147-I155 HydrophobicContact CE3-CD1 4.09Å; W147-I155 HydrophobicContact CH2-CD1 4.36Å; W147-I155 HydrophobicContact CZ3-CD1 3.75Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.27Å; D152-I155 PolarHBondContact O-N 3.07Å; I155-A158 PolarHBondContact O-N 2.88Å; I155-H159 WeakPolarHBondContact O-CB 3.42Å; I155-H159 PolarHBondContact O-N 3.27Å; I155-L173 HydrophobicContact CD1-CD1 4.13Å; I155-L173 HydrophobicContact CG1-CD1 3.47Å; I155-L173 VanDerWaalsContact CG1-CD1 3.47Å; I155-I181 HydrophobicContact CD1-CG2 4.08Å; I155-I181 HydrophobicContact CG1-CG2 3.95Å; I155-I181 HydrophobicContact CG2-CG2 4.06Å; I155-W185 HydrophobicContact CG2-CE3 3.81Å; I155-W185 HydrophobicContact CG2-CZ3 4.41Å; I155-M189 HydrophobicContact CB-SD 3.8Å; I155-M189 HydrophobicContact CD1-SD 4.28Å; I155-M189 HydrophobicContact CG2-SD 3.61Å
156Y94.3Very high94.6Very high32 Ų3268.8 Ų68.813%0.12533%0.327CS..Hα-helixtrans-62.3-49.6179.8174.1-114.6000112D152 I154 A158 H159 K160 W185 V193 L199D152-Y156 WeakPolarHBondContact O-CB 3.42Å; D152-Y156 PolarHBondContact O-N 2.79Å; I154-Y156 PolarHBondContact O-N 3.5Å; Y156-A158 PolarHBondContact O-N 2.88Å; Y156-H159 PolarHBondContact O-N 2.84Å; Y156-K160 HydrophobicContact CE1-CD 4.39Å; Y156-K160 VanDerWaalsContact O-CB 3.24Å; Y156-K160 WeakPolarHBondContact O-CB 3.29Å; Y156-K160 PolarHBondContact O-N 3.27Å; Y156-K160 PolarHBondContact OH-NZ 3.17Å; Y156-W185 HydrophobicContact CD2-CH2 4.34Å; Y156-W185 HydrophobicContact CD2-CZ3 4.41Å; Y156-V193 HydrophobicContact CD2-CG1 3.76Å; Y156-V193 HydrophobicContact CD2-CG2 3.96Å; Y156-V193 HydrophobicContact CE2-CG1 3.43Å; Y156-V193 VanDerWaalsContact CE2-CG1 3.43Å; Y156-V193 HydrophobicContact CE2-CG2 4.41Å; Y156-L199 HydrophobicContact CD1-CB 4.31Å
157Q94.6Very high94.8Very high81 Ų8166.8 Ų66.838%0.37932%0.317SS..Hα-helixtrans-65.1-39.1178.9-70.7-171.635.700112.4R153 I154 R161R153-Q157 WeakPolarHBondContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CG 3.42Å; R153-Q157 PolarHBondContact O-N 2.97Å; I154-Q157 PolarHBondContact O-N 3.17Å; Q157-R161 VanDerWaalsContact O-CG 3.29Å; Q157-R161 WeakPolarHBondContact O-CG 3.08Å; Q157-R161 PolarHBondContact O-N 3.35Å
158A95.9Very high94.9Very high6 Ų667.5 Ų67.55%0.0532%0.323CS..Hα-helixtrans-71.1-41.9178.500000111.6I154 I155 Y156 R161 L162 I169 L172I154-A158 WeakPolarHBondContact O-CB 3.44Å; I154-A158 PolarHBondContact O-N 2.87Å; I155-A158 PolarHBondContact O-N 2.88Å; Y156-A158 PolarHBondContact O-N 2.88Å; A158-R161 CarbonylContact O-C 3.58Å; A158-R161 PolarHBondContact O-N 3.24Å; A158-L162 WeakPolarHBondContact O-CA 3.19Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 WeakPolarHBondContact O-CG 3.33Å; A158-L162 PolarHBondContact O-N 2.89Å; A158-I169 HydrophobicContact CB-CB 4.4Å; A158-I169 HydrophobicContact CB-CD1 4.42Å; A158-I169 HydrophobicContact CB-CG1 3.93Å; A158-I169 HydrophobicContact CB-CG2 3.92Å; A158-L172 HydrophobicContact CB-CD1 3.68Å
159H95.3Very high95Very high34 Ų3464.7 Ų64.716%0.15731%0.306CS..Hα-helixtrans-63.4-42.2174.4-171.5-86.8000111.6I155 Y156 R161 L162 G163 N164 W166 I169 W185I155-H159 WeakPolarHBondContact O-CB 3.42Å; I155-H159 PolarHBondContact O-N 3.27Å; Y156-H159 PolarHBondContact O-N 2.84Å; H159-R161 PolarHBondContact O-N 3.04Å; H159-L162 PolarHBondContact O-N 3.14Å; H159-G163 PolarHBondContact CD2-O 2.89Å; H159-G163 VanDerWaalsContact CD2-O 3.32Å; H159-G163 VanDerWaalsContact O-CA 3.28Å; H159-G163 WeakPolarHBondContact O-CA 3.21Å; H159-G163 PolarHBondContact O-N 3.4Å; H159-N164 PolarHBondContact NE2-OD1 2.79Å; H159-W166 AromaticContact CD2-CH2 3.43Å; H159-W166 VanDerWaalsContact CD2-CH2 3.43Å; H159-W166 WeakPolarHBondContact CD2-CH2 3.49Å; H159-W166 AromaticContact CD2-CZ3 3.74Å; H159-W166 AromaticContact NE2-CH2 3.72Å; H159-I169 HydrophobicContact CB-CD1 4.24Å; H159-W185 HydrophobicContact CB-CH2 4.28Å; H159-W185 HydrophobicContact CB-CZ3 4.2Å; H159-W185 AromaticContact CE1-CE2 3.83Å; H159-W185 AromaticContact CE1-CZ2 3.55Å; H159-W185 AromaticContact CG-CH2 3.97Å; H159-W185 AromaticContact CG-CZ2 3.93Å; H159-W185 AromaticContact ND1-CE2 3.99Å; H159-W185 AromaticContact ND1-CH2 3.67Å; H159-W185 AromaticContact ND1-CZ2 3.45Å; H159-W185 WeakPolarHBondContact ND1-CZ2 3.32Å; H159-W185 AromaticContact NE2-CE2 3.91Å; H159-W185 AromaticContact NE2-NE1 3.92Å
160K93.9Very high95.2Very high152 Ų15261.6 Ų61.666%0.66130%0.295SS*.Hα-helixtrans-60-28.2174.1-171.2171.8-173.1169.30113.6Y156Y156-K160 HydrophobicContact CE1-CD 4.39Å; Y156-K160 VanDerWaalsContact O-CB 3.24Å; Y156-K160 WeakPolarHBondContact O-CB 3.29Å; Y156-K160 PolarHBondContact O-N 3.27Å; Y156-K160 PolarHBondContact OH-NZ 3.17Å
161R95.5Very high95.3Very high184 Ų18463.6 Ų63.669%0.69430%0.302SS*.Hα-helixtrans-94.3-29.5177.3-67.1173.4-168.9166.410.8113.9Q157 A158 H159Q157-R161 VanDerWaalsContact O-CG 3.29Å; Q157-R161 WeakPolarHBondContact O-CG 3.08Å; Q157-R161 PolarHBondContact O-N 3.35Å; A158-R161 CarbonylContact O-C 3.58Å; A158-R161 PolarHBondContact O-N 3.24Å; H159-R161 PolarHBondContact O-N 3.04Å
162L95Very high95.2Very high54 Ų5467 Ų6728%0.28332%0.321SS..Hα-helixtrans-120.6-11-166.4-57178.4000114.5A158 H159 R165 E168 I169A158-L162 WeakPolarHBondContact O-CA 3.19Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 WeakPolarHBondContact O-CG 3.33Å; A158-L162 PolarHBondContact O-N 2.89Å; H159-L162 PolarHBondContact O-N 3.14Å; L162-R165 HydrophobicContact CB-CB 4.28Å; L162-R165 WeakPolarHBondContact O-CG 3.26Å; L162-R165 PolarHBondContact O-NE 3.4Å; L162-E168 HydrophobicContact CD1-CB 4.08Å; L162-I169 HydrophobicContact CD1-CG1 4.3Å
163G94.1Very high95.2Very high29 Ų2966.8 Ų66.830%0.29932%0.319SS..SBendtrans59.2-147.5-170.300000112.2H159 R165H159-G163 PolarHBondContact CD2-O 2.89Å; H159-G163 VanDerWaalsContact CD2-O 3.32Å; H159-G163 VanDerWaalsContact O-CA 3.28Å; H159-G163 WeakPolarHBondContact O-CA 3.21Å; H159-G163 PolarHBondContact O-N 3.4Å; G163-R165 PolarHBondContact O-N 3.27Å
164N95.6Very high95Very high110 Ų11067.9 Ų67.959%0.58834%0.336SS*.SBendtrans-72.528.8-177.2-61.5-24.2000114.5H159 W166H159-N164 PolarHBondContact NE2-OD1 2.79Å; N164-W166 HydrophobicContact CB-CZ2 3.94Å; N164-W166 PolarHBondContact O-N 2.96Å; N164-W166 PolarHBondContact O-NE1 3.13Å; N164-W166 WeakPolarHBondContact OD1-CZ2 3.31Å
165R96.1Very high94.8Very high146 Ų14666 Ų6655%0.55133%0.332SS*.  trans-81.760.8177.4-72.4-173.1-80.6-154.52.1111L162 G163 A167 E168 I169L162-R165 HydrophobicContact CB-CB 4.28Å; L162-R165 WeakPolarHBondContact O-CG 3.26Å; L162-R165 PolarHBondContact O-NE 3.4Å; G163-R165 PolarHBondContact O-N 3.27Å; R165-A167 VanDerWaalsContact C-N 3.26Å; R165-A167 PolarHBondContact O-N 3.47Å; R165-A167 VanDerWaalsContact O-N 3.13Å; R165-E168 HydrophobicContact CB-CB 4.24Å; R165-E168 HydrophobicContact CB-CG 4.22Å; R165-E168 WeakPolarHBondContact O-CB 3.49Å; R165-E168 PolarHBondContact O-N 2.85Å; R165-I169 PolarHBondContact O-N 3.01Å; R165-I169 VanDerWaalsContact O-N 3.12Å
166W96.1Very high94.7Very high34 Ų3466.8 Ų66.813%0.12934%0.335CS..Hα-helixtrans-53-37.6-171.7-52.1116.9000114.4H159 N164 E168 I169 A170 D178 I181 K182 W185H159-W166 AromaticContact CD2-CH2 3.43Å; H159-W166 VanDerWaalsContact CD2-CH2 3.43Å; H159-W166 WeakPolarHBondContact CD2-CH2 3.49Å; H159-W166 AromaticContact CD2-CZ3 3.74Å; H159-W166 AromaticContact NE2-CH2 3.72Å; N164-W166 HydrophobicContact CB-CZ2 3.94Å; N164-W166 PolarHBondContact O-N 2.96Å; N164-W166 PolarHBondContact O-NE1 3.13Å; N164-W166 WeakPolarHBondContact OD1-CZ2 3.31Å; W166-E168 VanDerWaalsContact C-N 3.31Å; W166-E168 PolarHBondContact O-N 3.45Å; W166-I169 HydrophobicContact CE3-CD1 3.99Å; W166-I169 HydrophobicContact CZ3-CD1 4.15Å; W166-I169 PolarHBondContact O-N 3.22Å; W166-A170 WeakPolarHBondContact O-CB 3.24Å; W166-A170 PolarHBondContact O-N 3.18Å; W166-D178 HydrophobicContact CB-CB 3.88Å; W166-I181 HydrophobicContact CE3-CG2 3.85Å; W166-I181 HydrophobicContact CZ3-CG2 4.15Å; W166-K182 HydrophobicContact CD2-CB 3.73Å; W166-K182 HydrophobicContact CD2-CG 4.25Å; W166-K182 HydrophobicContact CE3-CB 4.25Å; W166-K182 HydrophobicContact CG-CB 3.83Å; W166-K182 HydrophobicContact CG-CG 4.36Å; W166-K182 HydrophobicContact CZ2-CG 4.39Å; W166-W185 HydrophobicContact CH2-CB 3.77Å; W166-W185 AromaticContact CH2-CD1 3.56Å; W166-W185 HydrophobicContact CH2-CD2 4.25Å; W166-W185 AromaticContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CZ3-CB 3.94Å; W166-W185 HydrophobicContact CZ3-CG 4.07Å
167A95.6Very high94.7Very high59 Ų5966.2 Ų66.249%0.48834%0.335SS..Hα-helixtrans-69.3-23.9177.100000114.1R165 D178R165-A167 VanDerWaalsContact C-N 3.26Å; R165-A167 PolarHBondContact O-N 3.47Å; R165-A167 VanDerWaalsContact O-N 3.13Å; A167-D178 HydrophobicContact CB-CB 4.44Å
168E96.1Very high94.7Very high84 Ų8465.8 Ų65.839%0.39334%0.335SS..Hα-helixtrans-81.6-39.8171.1-61.9-55.9130.800110.9L162 R165 W166 A170 K171L162-E168 HydrophobicContact CD1-CB 4.08Å; R165-E168 HydrophobicContact CB-CB 4.24Å; R165-E168 HydrophobicContact CB-CG 4.22Å; R165-E168 WeakPolarHBondContact O-CB 3.49Å; R165-E168 PolarHBondContact O-N 2.85Å; W166-E168 VanDerWaalsContact C-N 3.31Å; W166-E168 PolarHBondContact O-N 3.45Å; E168-A170 VanDerWaalsContact C-N 3.28Å; E168-A170 PolarHBondContact O-N 2.75Å; E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE1-CE 3.16Å; E168-K171 IonicContact OE1-NZ 2.69Å; E168-K171 PolarHBondContact OE1-NZ 2.97Å; E168-K171 WeakPolarHBondContact OE2-CE 3.34Å; E168-K171 IonicContact OE2-NZ 3.74Å; E168-K171 PolarHBondContact OE2-NZ 3.06Å
169I95.9Very high94.7Very high0 Ų066.9 Ų66.90%034%0.341CS..Hα-helixtrans-62.8-36.8175.5-56.4175.2000110.7A158 H159 L162 R165 W166 K171 L172 L173 I181A158-I169 HydrophobicContact CB-CB 4.4Å; A158-I169 HydrophobicContact CB-CD1 4.42Å; A158-I169 HydrophobicContact CB-CG1 3.93Å; A158-I169 HydrophobicContact CB-CG2 3.92Å; H159-I169 HydrophobicContact CB-CD1 4.24Å; L162-I169 HydrophobicContact CD1-CG1 4.3Å; R165-I169 PolarHBondContact O-N 3.01Å; R165-I169 VanDerWaalsContact O-N 3.12Å; W166-I169 HydrophobicContact CE3-CD1 3.99Å; W166-I169 HydrophobicContact CZ3-CD1 4.15Å; W166-I169 PolarHBondContact O-N 3.22Å; I169-K171 VanDerWaalsContact C-N 3.25Å; I169-K171 PolarHBondContact O-N 2.97Å; I169-L172 WeakPolarHBondContact O-CB 3.23Å; I169-L172 PolarHBondContact O-N 3.42Å; I169-L173 HydrophobicContact CG2-CD1 4.1Å; I169-I181 HydrophobicContact CG2-CD1 4.38Å; I169-I181 HydrophobicContact CG2-CG2 3.94Å
170A96Very high94.7Very high21 Ų2166.6 Ų66.617%0.17434%0.344CS..G310 helixtrans-59.7-30.3175.500000113.9W166 E168 L172 L173 D178 I181W166-A170 WeakPolarHBondContact O-CB 3.24Å; W166-A170 PolarHBondContact O-N 3.18Å; E168-A170 VanDerWaalsContact C-N 3.28Å; E168-A170 PolarHBondContact O-N 2.75Å; A170-L172 PolarHBondContact O-N 3.13Å; A170-L173 CarbonylContact O-C 3.6Å; A170-L173 PolarHBondContact O-N 3.33Å; A170-L173 VanDerWaalsContact O-N 3.14Å; A170-D178 HydrophobicContact CB-CB 4.33Å; A170-I181 VanDerWaalsContact CA-CD1 3.46Å; A170-I181 HydrophobicContact CB-CD1 3.82Å
171K95.4Very high94.7Very high140 Ų14059.4 Ų59.461%0.60931%0.313SS*.G310 helixtrans-66.8-21.3176.1-59.5174.5-167.8170.50112.8E168 I169E168-K171 WeakPolarHBondContact O-CB 3.43Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact OE1-CE 3.16Å; E168-K171 IonicContact OE1-NZ 2.69Å; E168-K171 PolarHBondContact OE1-NZ 2.97Å; E168-K171 WeakPolarHBondContact OE2-CE 3.34Å; E168-K171 IonicContact OE2-NZ 3.74Å; E168-K171 PolarHBondContact OE2-NZ 3.06Å; I169-K171 VanDerWaalsContact C-N 3.25Å; I169-K171 PolarHBondContact O-N 2.97Å
172L93.9Very high94.7Very high92 Ų9253.8 Ų53.848%0.48229%0.294SS..G310 helixtrans-88-8.4177.6-52.8176.7000112.7I154 A158 I169 A170I154-L172 HydrophobicContact CG2-CB 3.85Å; I154-L172 HydrophobicContact CG2-CD1 4.48Å; A158-L172 HydrophobicContact CB-CD1 3.68Å; I169-L172 WeakPolarHBondContact O-CB 3.23Å; I169-L172 PolarHBondContact O-N 3.42Å; A170-L172 PolarHBondContact O-N 3.13Å
173L93.6Very high94.7Very high5 Ų555.2 Ų55.23%0.02630%0.301CS..SBendtrans-128.776.4-170.4-69.2167.1000110E151 I154 I155 I169 A170 G175 R176 I181E151-L173 HydrophobicContact CB-CD2 3.96Å; E151-L173 HydrophobicContact CG-CD2 4.01Å; I154-L173 HydrophobicContact CB-CD2 3.92Å; I154-L173 HydrophobicContact CD1-CD2 4Å; I154-L173 HydrophobicContact CG2-CD1 4.27Å; I154-L173 HydrophobicContact CG2-CD2 3.69Å; I154-L173 HydrophobicContact CG2-CG 3.84Å; I155-L173 HydrophobicContact CD1-CD1 4.13Å; I155-L173 HydrophobicContact CG1-CD1 3.47Å; I155-L173 VanDerWaalsContact CG1-CD1 3.47Å; I169-L173 HydrophobicContact CG2-CD1 4.1Å; A170-L173 CarbonylContact O-C 3.6Å; A170-L173 PolarHBondContact O-N 3.33Å; A170-L173 VanDerWaalsContact O-N 3.14Å; L173-G175 PolarHBondContact O-N 2.83Å; L173-G175 VanDerWaalsContact O-N 3.11Å; L173-R176 HydrophobicContact CB-CB 3.92Å; L173-R176 HydrophobicContact CB-CG 4.16Å; L173-R176 PolarHBondContact O-N 2.72Å; L173-I181 HydrophobicContact CB-CD1 4.33Å; L173-I181 HydrophobicContact CD1-CD1 3.68Å; L173-I181 HydrophobicContact CD1-CG1 3.91Å
174P90.9Very high94.7Very high96 Ų9654.4 Ų54.462%0.62329%0.29SS*.THydrogen-bonded Turntrans-58.7118.9-171.822.4-33.3000111.4K143K143-P174 WeakPolarHBondContact CD-O 3.34Å; K143-P174 WeakPolarHBondContact CE-O 3.34Å; K143-P174 PolarHBondContact NZ-O 3.37Å
175G90.5Very high94.7Very high26 Ų2650 Ų5027%0.26827%0.265SS..THydrogen-bonded Turntrans90.21.1-176.600000115.6E141 V142 K143 L173E141-G175 WeakPolarHBondContact O-CA 3.18Å; V142-G175 WeakPolarHBondContact CA-O 3.45Å; K143-G175 PolarHBondContact N-O 3.18Å; L173-G175 PolarHBondContact O-N 2.83Å; L173-G175 VanDerWaalsContact O-N 3.11Å
176R93.7Very high94.6Very high17 Ų1747.1 Ų47.16%0.06426%0.26CS..  trans-101.7137.5168.7-59.5-61.7-169.2172.712.8110.1K143 T145 S146 W147 E151 L173 I181K143-R176 PolarHBondContact O-NH1 2.91Å; T145-R176 PolarHBondContact O-NH1 3.47Å; T145-R176 PolarHBondContact O-NH2 2.79Å; T145-R176 PolarHBondContact OG1-NH2 3.26Å; S146-R176 PolarHBondContact O-NH2 3.35Å; W147-R176 HydrophobicContact CH2-CB 4.14Å; W147-R176 HydrophobicContact CH2-CG 4.01Å; W147-R176 HydrophobicContact CZ3-CB 4.22Å; W147-R176 HydrophobicContact CZ3-CG 3.7Å; E151-R176 WeakPolarHBondContact OE1-CG 3.34Å; E151-R176 IonicContact OE1-CZ 2.7Å; E151-R176 IonicContact OE1-NE 2.69Å; E151-R176 PolarHBondContact OE1-NE 3.49Å; E151-R176 IonicContact OE1-NH2 3.71Å; E151-R176 PolarHBondContact OE1-NH2 2.94Å; E151-R176 IonicContact OE2-CZ 2.88Å; E151-R176 IonicContact OE2-NE 3.62Å; E151-R176 PolarHBondContact OE2-NE 3.16Å; E151-R176 IonicContact OE2-NH2 3.83Å; E151-R176 PolarHBondContact OE2-NH2 2.93Å; L173-R176 HydrophobicContact CB-CB 3.92Å; L173-R176 HydrophobicContact CB-CG 4.16Å; L173-R176 PolarHBondContact O-N 2.72Å; R176-I181 HydrophobicContact CB-CD1 4.17Å; R176-I181 HydrophobicContact CB-CG1 4.14Å
177T95.5Very high94.4Very high20 Ų2048.5 Ų48.512%0.12328%0.276CS..  trans-89.7155.8-179.871.40000111.4H135 N136 V142 N179 A180 I181H135-T177 VanDerWaalsContact O-CG2 3.28Å; H135-T177 WeakPolarHBondContact O-CG2 3.37Å; N136-T177 PolarHBondContact OD1-OG1 3.23Å; V142-T177 HydrophobicContact CG1-CG2 4.04Å; V142-T177 HydrophobicContact CG2-CG2 3.79Å; T177-N179 PolarHBondContact O-N 2.7Å; T177-A180 PolarHBondContact O-N 3.25Å; T177-A180 WeakPolarHBondContact OG1-CB 3.44Å; T177-A180 PolarHBondContact OG1-N 2.77Å; T177-A180 VanDerWaalsContact OG1-N 3.07Å; T177-I181 WeakPolarHBondContact O-CD1 3.19Å; T177-I181 WeakPolarHBondContact O-CG1 3.17Å; T177-I181 PolarHBondContact O-N 2.98Å
178D94.8Very high94Very high72 Ų7248 Ų4839%0.38527%0.267SS..Hα-helixtrans-54.9-39.2173.870.3-56.4000111.5W166 A167 A170 K182W166-D178 HydrophobicContact CB-CB 3.88Å; A167-D178 HydrophobicContact CB-CB 4.44Å; A170-D178 HydrophobicContact CB-CB 4.33Å; D178-K182 WeakPolarHBondContact O-CB 3.45Å; D178-K182 PolarHBondContact O-N 3.2Å
179N94.8Very high93.7Very high30 Ų3044.1 Ų44.116%0.1625%0.248CC..Hα-helixtrans-66.3-42.2175.4-17056.3000112.4N136 T177 K182 N183N136-N179 WeakPolarHBondContact OD1-CB 3.1Å; T177-N179 PolarHBondContact O-N 2.7Å; N179-K182 WeakPolarHBondContact OD1-CE 3.36Å; N179-K182 PolarHBondContact OD1-NZ 3.38Å; N179-N183 WeakPolarHBondContact O-CB 3.18Å; N179-N183 PolarHBondContact O-N 3.31Å; N179-N183 PolarHBondContact O-ND2 3.46Å; N179-N183 PolarHBondContact O-OD1 3.12Å
180A94.8Very high93.2Very high28 Ų2849.9 Ų49.923%0.23127%0.27CS..Hα-helixtrans-63.9-46.2177.500000111.5W147 T177 N183 H184W147-A180 HydrophobicContact CH2-CB 4.16Å; W147-A180 HydrophobicContact CZ2-CB 3.96Å; W147-A180 WeakPolarHBondContact CZ2-O 3.43Å; T177-A180 PolarHBondContact O-N 3.25Å; T177-A180 WeakPolarHBondContact OG1-CB 3.44Å; T177-A180 PolarHBondContact OG1-N 2.77Å; T177-A180 VanDerWaalsContact OG1-N 3.07Å; A180-N183 PolarHBondContact O-N 2.76Å; A180-H184 PolarHBondContact O-N 3.16Å
181I95.6Very high92.5Very high0 Ų056.5 Ų56.50%029%0.29CS..Hα-helixtrans-62.7-48.8178.8-64.1157.9000110.8W147 I155 W166 I169 A170 L173 R176 T177 N183 H184 W185W147-I181 HydrophobicContact CH2-CG1 3.88Å; W147-I181 HydrophobicContact CZ3-CG1 4.33Å; I155-I181 HydrophobicContact CD1-CG2 4.08Å; I155-I181 HydrophobicContact CG1-CG2 3.95Å; I155-I181 HydrophobicContact CG2-CG2 4.06Å; W166-I181 HydrophobicContact CE3-CG2 3.85Å; W166-I181 HydrophobicContact CZ3-CG2 4.15Å; I169-I181 HydrophobicContact CG2-CD1 4.38Å; I169-I181 HydrophobicContact CG2-CG2 3.94Å; A170-I181 VanDerWaalsContact CA-CD1 3.46Å; A170-I181 HydrophobicContact CB-CD1 3.82Å; L173-I181 HydrophobicContact CB-CD1 4.33Å; L173-I181 HydrophobicContact CD1-CD1 3.68Å; L173-I181 HydrophobicContact CD1-CG1 3.91Å; R176-I181 HydrophobicContact CB-CD1 4.17Å; R176-I181 HydrophobicContact CB-CG1 4.14Å; T177-I181 WeakPolarHBondContact O-CD1 3.19Å; T177-I181 WeakPolarHBondContact O-CG1 3.17Å; T177-I181 PolarHBondContact O-N 2.98Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 3.24Å; I181-H184 PolarHBondContact O-N 2.9Å; I181-W185 WeakPolarHBondContact O-CB 3.47Å; I181-W185 PolarHBondContact O-N 2.88Å
182K95.4Very high91.7Very high67 Ų6753.5 Ų53.529%0.29128%0.277SS..Hα-helixtrans-55.3-43174.3175.1-16471.6-169.20111.7W166 D178 N179 N186W166-K182 HydrophobicContact CD2-CB 3.73Å; W166-K182 HydrophobicContact CD2-CG 4.25Å; W166-K182 HydrophobicContact CE3-CB 4.25Å; W166-K182 HydrophobicContact CG-CB 3.83Å; W166-K182 HydrophobicContact CG-CG 4.36Å; W166-K182 HydrophobicContact CZ2-CG 4.39Å; D178-K182 WeakPolarHBondContact O-CB 3.45Å; D178-K182 PolarHBondContact O-N 3.2Å; N179-K182 WeakPolarHBondContact OD1-CE 3.36Å; N179-K182 PolarHBondContact OD1-NZ 3.38Å; K182-N186 PolarHBondContact O-N 2.83Å; K182-N186 PolarHBondContact O-ND2 3.44Å
183N95Very high91Very high83 Ų8350.1 Ų50.144%0.44426%0.26SS..Hα-helixtrans-67.9-49.9-178.6-70.5-1.4000110.8N179 A180 I181 W185 N186 S187N179-N183 WeakPolarHBondContact O-CB 3.18Å; N179-N183 PolarHBondContact O-N 3.31Å; N179-N183 PolarHBondContact O-ND2 3.46Å; N179-N183 PolarHBondContact O-OD1 3.12Å; A180-N183 PolarHBondContact O-N 2.76Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 3.24Å; N183-W185 VanDerWaalsContact C-N 3.32Å; N183-W185 PolarHBondContact O-N 3.46Å; N183-N186 PolarHBondContact O-N 2.96Å; N183-N186 VanDerWaalsContact O-N 3.12Å; N183-S187 PolarHBondContact O-N 3.14Å; N183-S187 PolarHBondContact O-OG 2.94Å; N183-S187 VanDerWaalsContact O-OG 3.1Å
184H94.4Very high90.1Very high12 Ų1256 Ų566%0.05629%0.288CS..Hα-helixtrans-61.2-37.8178.3-178.554.2000113.2W147 D152 A180 I181 N186 S187 T188 M189W147-H184 AromaticContact CD1-CD2 3.94Å; W147-H184 AromaticContact CD1-CE1 3.56Å; W147-H184 AromaticContact CD1-CG 3.65Å; W147-H184 AromaticContact CD1-ND1 3.44Å; W147-H184 AromaticContact CD1-NE2 3.88Å; W147-H184 HydrophobicContact CD2-CB 4.28Å; W147-H184 AromaticContact CD2-CD2 3.55Å; W147-H184 AromaticContact CD2-CG 3.83Å; W147-H184 AromaticContact CD2-NE2 3.89Å; W147-H184 AromaticContact CE2-CD2 3.75Å; W147-H184 AromaticContact CE2-CG 3.58Å; W147-H184 AromaticContact CE3-CD2 3.96Å; W147-H184 AromaticContact CG-CD2 3.7Å; W147-H184 AromaticContact CG-CE1 3.66Å; W147-H184 AromaticContact CG-CG 3.9Å; W147-H184 AromaticContact CG-ND1 3.91Å; W147-H184 AromaticContact CG-NE2 3.55Å; W147-H184 HydrophobicContact CH2-CB 4.43Å; W147-H184 HydrophobicContact CZ2-CB 3.65Å; W147-H184 AromaticContact NE1-CD2 3.97Å; W147-H184 AromaticContact NE1-CG 3.46Å; W147-H184 AromaticContact NE1-ND1 3.62Å; D152-H184 VanDerWaalsContact CG-NE2 3.28Å; D152-H184 IonicContact OD1-CD2 2.69Å; D152-H184 PolarHBondContact OD1-CD2 3.5Å; D152-H184 IonicContact OD1-CE1 3.5Å; D152-H184 IonicContact OD1-NE2 3.12Å; D152-H184 PolarHBondContact OD1-NE2 3.11Å; D152-H184 IonicContact OD2-CE1 3.53Å; D152-H184 IonicContact OD2-NE2 3.18Å; D152-H184 PolarHBondContact OD2-NE2 3.04Å; D152-H184 VanDerWaalsContact OD2-NE2 3.14Å; A180-H184 PolarHBondContact O-N 3.16Å; I181-H184 PolarHBondContact O-N 2.9Å; H184-N186 PolarHBondContact O-N 3.04Å; H184-S187 WeakPolarHBondContact CA-OG 3.46Å; H184-S187 PolarHBondContact O-OG 3.31Å; H184-T188 WeakPolarHBondContact ND1-CB 3.44Å; H184-T188 PolarHBondContact ND1-OG1 3.27Å; H184-T188 WeakPolarHBondContact O-CA 3.46Å; H184-T188 VanDerWaalsContact O-CB 3.27Å; H184-T188 WeakPolarHBondContact O-CB 3.35Å; H184-T188 PolarHBondContact O-N 3.4Å; H184-T188 PolarHBondContact O-OG1 2.74Å; H184-M189 PolarHBondContact O-N 3.47Å; H184-M189 VanDerWaalsContact O-N 3.12Å
185W94.8Very high88.6Confident18 Ų1858.9 Ų58.97%0.06829%0.293CS..Iπ-helixtrans-57.3-49.4172.2179-95.4000111.8I155 Y156 H159 W166 I181 N183 M189 R190I155-W185 HydrophobicContact CG2-CE3 3.81Å; I155-W185 HydrophobicContact CG2-CZ3 4.41Å; Y156-W185 HydrophobicContact CD2-CH2 4.34Å; Y156-W185 HydrophobicContact CD2-CZ3 4.41Å; H159-W185 HydrophobicContact CB-CH2 4.28Å; H159-W185 HydrophobicContact CB-CZ3 4.2Å; H159-W185 AromaticContact CE1-CE2 3.83Å; H159-W185 AromaticContact CE1-CZ2 3.55Å; H159-W185 AromaticContact CG-CH2 3.97Å; H159-W185 AromaticContact CG-CZ2 3.93Å; H159-W185 AromaticContact ND1-CE2 3.99Å; H159-W185 AromaticContact ND1-CH2 3.67Å; H159-W185 AromaticContact ND1-CZ2 3.45Å; H159-W185 WeakPolarHBondContact ND1-CZ2 3.32Å; H159-W185 AromaticContact NE2-CE2 3.91Å; H159-W185 AromaticContact NE2-NE1 3.92Å; W166-W185 HydrophobicContact CH2-CB 3.77Å; W166-W185 AromaticContact CH2-CD1 3.56Å; W166-W185 HydrophobicContact CH2-CD2 4.25Å; W166-W185 AromaticContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CH2-CG 3.55Å; W166-W185 HydrophobicContact CZ3-CB 3.94Å; W166-W185 HydrophobicContact CZ3-CG 4.07Å; I181-W185 WeakPolarHBondContact O-CB 3.47Å; I181-W185 PolarHBondContact O-N 2.88Å; N183-W185 VanDerWaalsContact C-N 3.32Å; N183-W185 PolarHBondContact O-N 3.46Å; W185-M189 HydrophobicContact CD2-CB 4.3Å; W185-M189 HydrophobicContact CE3-CB 3.67Å; W185-M189 HydrophobicContact CE3-CG 4.3Å; W185-M189 HydrophobicContact CE3-SD 3.97Å; W185-M189 HydrophobicContact CZ3-CB 4.06Å; W185-M189 HydrophobicContact CZ3-SD 4.3Å; W185-M189 PolarHBondContact O-N 3.17Å; W185-R190 VanDerWaalsContact O-CB 3.28Å; W185-R190 WeakPolarHBondContact O-CB 3.47Å; W185-R190 PolarHBondContact O-N 2.89Å
186N93.8Very high87Confident85 Ų8563.9 Ų63.946%0.45531%0.309SS..Iπ-helixtrans-76.5-33.8-175.7-72.3-63.5000113.6K182 N183 H184K182-N186 PolarHBondContact O-N 2.83Å; K182-N186 PolarHBondContact O-ND2 3.44Å; N183-N186 PolarHBondContact O-N 2.96Å; N183-N186 VanDerWaalsContact O-N 3.12Å; H184-N186 PolarHBondContact O-N 3.04Å
187S91.2Very high85.6Confident64 Ų6464.5 Ų64.545%0.44832%0.321SS..Iπ-helixtrans-77-43.7177.858.70000112.7N183 H184 R191N183-S187 PolarHBondContact O-N 3.14Å; N183-S187 PolarHBondContact O-OG 2.94Å; N183-S187 VanDerWaalsContact O-OG 3.1Å; H184-S187 WeakPolarHBondContact CA-OG 3.46Å; H184-S187 PolarHBondContact O-OG 3.31Å; S187-R191 PolarHBondContact O-NH2 2.82Å
188T88.6Confident84.1Confident49 Ų4966.8 Ų66.830%0.30133%0.328SS..Iπ-helixtrans-117.3-62.5-159.9-360000111.4H184H184-T188 WeakPolarHBondContact ND1-CB 3.44Å; H184-T188 PolarHBondContact ND1-OG1 3.27Å; H184-T188 WeakPolarHBondContact O-CA 3.46Å; H184-T188 VanDerWaalsContact O-CB 3.27Å; H184-T188 WeakPolarHBondContact O-CB 3.35Å; H184-T188 PolarHBondContact O-N 3.4Å; H184-T188 PolarHBondContact O-OG1 2.74Å
189M88.8Confident82.7Confident1 Ų164.7 Ų64.71%0.00532%0.317CS..Iπ-helixtrans-69.7-44-165.8-61.8-15571.100113.2D152 I155 H184 W185 R191 K192 V193 L199D152-M189 HydrophobicContact CB-CE 3.61Å; D152-M189 HydrophobicContact CB-SD 4.08Å; D152-M189 WeakPolarHBondContact O-CE 3.41Å; I155-M189 HydrophobicContact CB-SD 3.8Å; I155-M189 HydrophobicContact CD1-SD 4.28Å; I155-M189 HydrophobicContact CG2-SD 3.61Å; H184-M189 PolarHBondContact O-N 3.47Å; H184-M189 VanDerWaalsContact O-N 3.12Å; W185-M189 HydrophobicContact CD2-CB 4.3Å; W185-M189 HydrophobicContact CE3-CB 3.67Å; W185-M189 HydrophobicContact CE3-CG 4.3Å; W185-M189 HydrophobicContact CE3-SD 3.97Å; W185-M189 HydrophobicContact CZ3-CB 4.06Å; W185-M189 HydrophobicContact CZ3-SD 4.3Å; W185-M189 PolarHBondContact O-N 3.17Å; M189-R191 VanDerWaalsContact C-N 3.35Å; M189-R191 PolarHBondContact O-N 2.86Å; M189-K192 PolarHBondContact O-N 3.48Å; M189-K192 VanDerWaalsContact O-N 3.07Å; M189-V193 HydrophobicContact CB-CG2 4.47Å; M189-V193 HydrophobicContact CE-CG2 4.29Å; M189-V193 WeakPolarHBondContact O-CB 3.39Å; M189-V193 WeakPolarHBondContact O-CG2 3.45Å; M189-V193 PolarHBondContact O-N 3.25Å; M189-L199 HydrophobicContact CE-CD1 3.84Å
190R85.4Confident81Confident122 Ų12269.3 Ų69.346%0.4634%0.337SS..Hα-helixtrans-52.7-49.7-169-174.6176.3-175.1179-0.3112.7W185 E194W185-R190 VanDerWaalsContact O-CB 3.28Å; W185-R190 WeakPolarHBondContact O-CB 3.47Å; W185-R190 PolarHBondContact O-N 2.89Å; R190-E194 WeakPolarHBondContact CG-OE1 3.46Å; R190-E194 IonicContact NE-OE1 3.79Å; R190-E194 PolarHBondContact NE-OE1 3.49Å; R190-E194 VanDerWaalsContact NE-OE1 3.12Å; R190-E194 VanDerWaalsContact O-CB 3.28Å; R190-E194 WeakPolarHBondContact O-CB 3.06Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3.14Å
191R81.5Confident79.1Confident159 Ų15974.5 Ų74.560%0.636%0.357SS*.Hα-helixtrans-67.4-42.7178.3-71.5-179.5-69.6158.10.9112.6S187 M189 V193 E194 Q195S187-R191 PolarHBondContact O-NH2 2.82Å; M189-R191 VanDerWaalsContact C-N 3.35Å; M189-R191 PolarHBondContact O-N 2.86Å; R191-V193 PolarHBondContact O-N 2.94Å; R191-E194 PolarHBondContact O-N 3.36Å; R191-Q195 WeakPolarHBondContact O-CB 3.28Å; R191-Q195 WeakPolarHBondContact O-CG 3.48Å; R191-Q195 PolarHBondContact O-N 3.11Å
192K79.4Confident76.8Confident77 Ų7779.9 Ų79.934%0.33539%0.392SS..Hα-helixtrans-62.8-42178.1-66.6-164.4165.9-162.90112.9M189 E196 Y198M189-K192 PolarHBondContact O-N 3.48Å; M189-K192 VanDerWaalsContact O-N 3.07Å; K192-E196 VanDerWaalsContact CG-OE2 3.27Å; K192-E196 WeakPolarHBondContact CG-OE2 3.28Å; K192-E196 WeakPolarHBondContact O-CA 3.49Å; K192-E196 WeakPolarHBondContact O-CB 3.4Å; K192-E196 PolarHBondContact O-N 2.98Å; K192-Y198 HydrophobicContact CB-CD1 4.08Å; K192-Y198 HydrophobicContact CB-CG 4.27Å; K192-Y198 HydrophobicContact CD-CD1 4.04Å; K192-Y198 HydrophobicContact CD-CE1 4.28Å; K192-Y198 HydrophobicContact CD-CG 4.44Å; K192-Y198 PolarHBondContact O-N 3.46Å
193V78.2Confident74.5Confident21 Ų2182.3 Ų82.313%0.12742%0.417CS..Hα-helixtrans-67.2-38.9176.8169.60000111.3Y156 M189 R191Y156-V193 HydrophobicContact CD2-CG1 3.76Å; Y156-V193 HydrophobicContact CD2-CG2 3.96Å; Y156-V193 HydrophobicContact CE2-CG1 3.43Å; Y156-V193 VanDerWaalsContact CE2-CG1 3.43Å; Y156-V193 HydrophobicContact CE2-CG2 4.41Å; M189-V193 HydrophobicContact CB-CG2 4.47Å; M189-V193 HydrophobicContact CE-CG2 4.29Å; M189-V193 WeakPolarHBondContact O-CB 3.39Å; M189-V193 WeakPolarHBondContact O-CG2 3.45Å; M189-V193 PolarHBondContact O-N 3.25Å; R191-V193 PolarHBondContact O-N 2.94Å
194E74.7Confident72.3Confident129 Ų12987.4 Ų87.460%0.60344%0.435SS*.Hα-helixtrans-78.9-29.3-179.7-71168.8-170.100113.4R190 R191R190-E194 WeakPolarHBondContact CG-OE1 3.46Å; R190-E194 IonicContact NE-OE1 3.79Å; R190-E194 PolarHBondContact NE-OE1 3.49Å; R190-E194 VanDerWaalsContact NE-OE1 3.12Å; R190-E194 VanDerWaalsContact O-CB 3.28Å; R190-E194 WeakPolarHBondContact O-CB 3.06Å; R190-E194 WeakPolarHBondContact O-CG 3.38Å; R190-E194 PolarHBondContact O-N 3.14Å; R191-E194 PolarHBondContact O-N 3.36Å
195Q59.7Low69.8Low156 Ų15691.6 Ų91.673%0.72947%0.472SS*.Hα-helixtrans-110.4-37.5-175-63.3-173.6-89.500115.9R191R191-Q195 WeakPolarHBondContact O-CB 3.28Å; R191-Q195 WeakPolarHBondContact O-CG 3.48Å; R191-Q195 PolarHBondContact O-N 3.11Å
196E57.8Low67.6Low131 Ų13195.5 Ų95.561%0.61250%0.502SS*.SBendtrans-103.3-4.1-167-56.4179.2150.600113.1K192 Y198K192-E196 VanDerWaalsContact CG-OE2 3.27Å; K192-E196 WeakPolarHBondContact CG-OE2 3.28Å; K192-E196 WeakPolarHBondContact O-CA 3.49Å; K192-E196 WeakPolarHBondContact O-CB 3.4Å; K192-E196 PolarHBondContact O-N 2.98Å; E196-Y198 PolarHBondContact O-N 2.85Å
197G63.6Low65.2Low30 Ų30100.1 Ų100.131%0.30952%0.521SS..  trans65.314.6-170.400000113.3L199 Q200G197-L199 PolarHBondContact O-N 3.49Å; G197-Q200 WeakPolarHBondContact O-CB 3.49Å; G197-Q200 WeakPolarHBondContact O-CG 3.34Å; G197-Q200 PolarHBondContact O-N 3Å
198Y62.8Low62.6Low69 Ų69103 Ų10327%0.27154%0.536SS..THydrogen-bonded Turntrans-55.1123.4-175.1-168.1-121000110.3K192 E196 Q200K192-Y198 HydrophobicContact CB-CD1 4.08Å; K192-Y198 HydrophobicContact CB-CG 4.27Å; K192-Y198 HydrophobicContact CD-CD1 4.04Å; K192-Y198 HydrophobicContact CD-CE1 4.28Å; K192-Y198 HydrophobicContact CD-CG 4.44Å; K192-Y198 PolarHBondContact O-N 3.46Å; E196-Y198 PolarHBondContact O-N 2.85Å; Y198-Q200 VanDerWaalsContact C-N 3.3Å; Y198-Q200 PolarHBondContact O-N 3.36Å
199L65.9Low60.4Low28 Ų28106.7 Ų106.715%0.14756%0.561CS.*THydrogen-bonded Turntrans68.418.1-177.8-40.8-179.6000115.7E149 D152 R153 Y156 M189 G197 E201E149-L199 HydrophobicContact CG-CD2 3.64Å; E149-L199 WeakPolarHBondContact OE1-CD2 3.48Å; D152-L199 HydrophobicContact CB-CD1 3.64Å; R153-L199 HydrophobicContact CB-CD1 4.47Å; R153-L199 HydrophobicContact CG-CB 4.19Å; R153-L199 HydrophobicContact CG-CD1 3.8Å; R153-L199 HydrophobicContact CG-CD2 3.77Å; R153-L199 HydrophobicContact CG-CG 4.12Å; Y156-L199 HydrophobicContact CD1-CB 4.31Å; M189-L199 HydrophobicContact CE-CD1 3.84Å; G197-L199 PolarHBondContact O-N 3.49Å; L199-E201 PolarHBondContact O-N 3Å
200Q59.8Low58.1Low127 Ų127112.4 Ų112.459%0.59360%0.596SS**  trans-75108.2155.8-64-168.234.500109.3G197 Y198G197-Q200 WeakPolarHBondContact O-CB 3.49Å; G197-Q200 WeakPolarHBondContact O-CG 3.34Å; G197-Q200 PolarHBondContact O-N 3Å; Y198-Q200 VanDerWaalsContact C-N 3.3Å; Y198-Q200 PolarHBondContact O-N 3.36Å
201E54.9Low56Low137 Ų137110.8 Ų110.864%0.6461%0.608SS**  trans-48126.9165.9-75.7-69.8160.400110.3L199 S203L199-E201 PolarHBondContact O-N 3Å; E201-S203 PolarHBondContact O-N 3.25Å
202P47.3Very low53.9Low113 Ų113109.3 Ų109.373%0.73462%0.617SS**  trans-64.799.6177.626.2-32.9000109K204P202-K204 PolarHBondContact O-N 2.81Å
203S47.2Very low52Low117 Ų117110.7 Ų110.782%0.81864%0.636SS**  trans-59.8109.8-172.1-70.40000110.2E201 A205E201-S203 PolarHBondContact O-N 3.25Å; S203-A205 PolarHBondContact O-N 3.03Å
204K48.5Very low50Low190 Ų190119.4 Ų119.483%0.82667%0.673SS**  trans-17.593.9-167.5-69.9-172.2176.7-175.70114.9P202 S206P202-K204 PolarHBondContact O-N 2.81Å; K204-S206 PolarHBondContact O-N 3.22Å
205A41.8Very low48.4Very low100 Ų100122.2 Ų122.283%0.82669%0.686SS**  trans-7358.8166.100000110.8S203 Q207S203-A205 PolarHBondContact O-N 3.03Å; A205-Q207 PolarHBondContact O-N 3.49Å
206S49Very low47.4Very low101 Ų101123.8 Ų123.871%0.70669%0.69SS**  trans-7855.4175.7-64.70000111.4K204K204-S206 PolarHBondContact O-N 3.22Å
207Q42.8Very low46.2Very low182 Ų182124 Ų12485%0.8570%0.696SS**  trans-133.1102.6161-71.9-165.149.200108.2A205 P209A205-Q207 PolarHBondContact O-N 3.49Å; Q207-P209 WeakPolarHBondContact O-CD 3.41Å
208T37.8Very low44.7Very low123 Ų123128.7 Ų128.776%0.75571%0.714SS**  trans-65.7124.9169.537.80000109.4V210T208-V210 VanDerWaalsContact C-N 3.31Å; T208-V210 PolarHBondContact O-N 3.48Å
209P42.3Very low43.6Very low128 Ų128133.4 Ų133.483%0.83174%0.738SS**  trans-71.591.7166.829.6-32000108.2Q207 A211Q207-P209 WeakPolarHBondContact O-CD 3.41Å; P209-A211 PolarHBondContact O-N 3.16Å; P209-A211 VanDerWaalsContact O-N 3.16Å
210V40.3Very low42.2Very low121 Ų121139.2 Ų139.273%0.73377%0.768SS**  trans-64.2115.9174.51800000108T208 T212T208-V210 VanDerWaalsContact C-N 3.31Å; T208-V210 PolarHBondContact O-N 3.48Å; V210-T212 PolarHBondContact O-N 3.02Å; V210-T212 VanDerWaalsContact O-N 3.16Å
211A40Very low41.5Very low87 Ų87142.1 Ų142.172%0.71978%0.784SS**  trans-67.3112.8-174.800000111.2P209 S213P209-A211 PolarHBondContact O-N 3.16Å; P209-A211 VanDerWaalsContact O-N 3.16Å; A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.43Å
212T37.9Very low40.3Very low128 Ų128138.1 Ų138.179%0.78578%0.78SS**  trans-78.775.9171.9540000110.4V210V210-T212 PolarHBondContact O-N 3.02Å; V210-T212 VanDerWaalsContact O-N 3.16Å
213S39.8Very low39.6Very low106 Ų106142.9 Ų142.974%0.74179%0.789SS**  trans-74.6122.5167.148.60000110.1A211 Q215A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.43Å; S213-Q215 PolarHBondContact O-N 3.07Å
214F36.2Very low38.9Very low205 Ų205140.2 Ų140.290%0.89978%0.78SS**  trans-72.7120.2173.5-76.6-93.6000110.4
215Q41.8Very low38.3Very low187 Ų187139.6 Ų139.687%0.87478%0.78SS**  trans-124.1144.6155.4-75-166.9-22.500109.9S213S213-Q215 PolarHBondContact O-N 3.07Å
216K37.5Very low37.8Very low190 Ų190138.8 Ų138.883%0.82677%0.773SS**  trans-98.5135-175.1-52.7172.4-179.8175.80109.6
217N32.3Very low37Very low135 Ų135139.6 Ų139.672%0.72278%0.779SS**  159.7132.1118-81.3-14000114.2
218N33.3Very low37.6Very low129 Ų129136.5 Ų136.569%0.6977%0.774SS**  trans68.6136.8136.6-62.86.2000123.7
219H40.4Very low38.3Very low168 Ų168135.8 Ų135.878%0.77877%0.772SS**  trans57.1125.3165.8-62.3-70.6000118.8
220L36.1Very low37.8Very low149 Ų149134.3 Ų134.378%0.7877%0.765SS**  cis8367.128.8-163.971.5000115.8
221M44.2Very low37.4Very low189 Ų189136 Ų13693%0.93177%0.765SS**  -179.7158128.9-99.8-175.9-79.200109
222G29.5Very low36.9Very low53 Ų53139.2 Ų139.255%0.54677%0.769SS.*  cis146.692-8.300000113.6
223F33.9Very low36.6Very low212 Ų212138.3 Ų138.393%0.9377%0.768SS**  trans64.8154.1175.9-56.8-91.8000116
224G32.3Very low36.9Very low61 Ų61138.6 Ų138.663%0.62977%0.767SS**  cis174.3-179.9-900000113.8
225H35.3Very low36.6Very low177 Ų177134.5 Ų134.582%0.81976%0.764SS**  trans75.4106.9161-58.8-82000122.5
226A31.7Very low36Very low84 Ų84128.7 Ų128.769%0.69476%0.755SS**  69.9108.3116.400000123.7
227S31.7Very low35.9Very low117 Ų117128.8 Ų128.882%0.81876%0.758SS**  88.1157.6120.2-64.80000122.1
228P54.7Low35.7Very low117 Ų117127 Ų12776%0.7676%0.756SS**  trans-107.4-156.7-165.246.3-36000111.4
229P53.4Low35.4Very low109 Ų109126.5 Ų126.571%0.70876%0.762SS**  cis-142-157.13.440.1-16.3000116.2
230S31.2Very low34.9Very low97 Ų97124.4 Ų124.468%0.67876%0.761SS**  trans80.1150.7157.8-64.70000118.1
231Q32.7Very low34.5Very low157 Ų157124.1 Ų124.173%0.73476%0.761SS**  cis-163.6159.2-9.5-117.6174.5-41.400112.3
232L29.7Very low33.8Very low154 Ų154120.5 Ų120.581%0.80675%0.754SS**  trans65.5138.7145.3-68.1166.5000123.4
233S31.1Very low33.6Very low109 Ų109127 Ų12776%0.76277%0.77SS**  trans-85.9-165157.2-25.20000110
234P45.9Very low33.4Very low111 Ų111127.1 Ų127.172%0.72177%0.766SS**  cis-151.3-170.825.244.8-22.5000119.2
235S30.2Very low34.1Very low119 Ų119129.6 Ų129.683%0.83277%0.771SS**  trans88.2150.4141.5740000122.6
236G29.6Very low33.7Very low66 Ų66128.8 Ų128.868%0.6876%0.762SS**  trans103.985.4179.700000113.7
237Q34.1Very low33.5Very low192 Ų192134.1 Ų134.190%0.89777%0.765SS**  61.1140.364.4-68.6-171.2-14.900115.6
238S27.5Very low33.5Very low98 Ų98136.7 Ų136.769%0.68576%0.764SS**  cis179.4140-21.249.80000110.7
239S28.1Very low32.3Very low117 Ų117137.6 Ų137.682%0.81876%0.761SS**  trans174.2160.3156.7-84.90000112.2
240V30Very low31.2Very low124 Ų124136.1 Ų136.175%0.75276%0.758SS**  -157.1165.3-66.7-101.90000108.9
241N27.5Very low31.1Very low144 Ų144140.6 Ų140.677%0.7777%0.768SS**  trans103.9113.1176.9-59.9-33.2000113.4
242S29Very low31Very low113 Ų113137 Ų13779%0.7977%0.765SS**  77.2135.354.8-58.50000111.1
243E27Very low31Very low188 Ų188137.4 Ų137.488%0.87976%0.763SS**  cis-148.9169.939.1-168.3163.5-170.200114.5
244Y28.9Very low30.9Very low216 Ų216138.4 Ų138.485%0.84776%0.76SS**  trans-142.2139.7-175.9-125.7-77.7000109.3
245P46.5Very low30.2Very low113 Ų113140 Ų14073%0.73476%0.761SS**  -144145.5117.121.10.8000113.8
246Y27.8Very low30Very low160 Ų160139.5 Ų139.563%0.62776%0.757SS**  71.9131.175.6-135.2-113.7000112.8
247Y26.9Very low30Very low196 Ų196141.8 Ų141.877%0.76976%0.763SS**  -140.7157.756-90.5-98000115.8I249Y247-I249 HydrophobicContact CD1-CD1 4.39Å
248H30.9Very low29.7Very low170 Ų170140.7 Ų140.779%0.78776%0.757SS**  trans-155.3108.3170-150.6-38.9000111.1
249I30.8Very low29.8Very low136 Ų136141.3 Ų141.370%0.69776%0.757SS**  trans-154.7143.7178.1-54.2-179.9000108.4Y247Y247-I249 HydrophobicContact CD1-CD1 4.39Å
250A29.2Very low30.3Very low78 Ų78141.1 Ų141.165%0.64575%0.753SS**  cis-166.5150-32.800000109.3
251E28.9Very low30.5Very low192 Ų192145.9 Ų145.990%0.89776%0.759SS**  trans43.8138.2140.3-132.6145.8-140.700121
252A31.4Very low30.9Very low82 Ų82144.3 Ų144.368%0.67876%0.756SS**  cis-155.9-170.525.900000110.2
253Q29.2Very low31Very low161 Ų161145.9 Ų145.975%0.75276%0.761SS**  cis-164162.6-1.7-152.1-175.172.500109.3
254N29.4Very low31.2Very low131 Ų131141.1 Ų141.170%0.70175%0.754SS**  trans57.5134.9148.7-99.5-25000120
255I31.5Very low31.3Very low144 Ų144138.9 Ų138.974%0.73876%0.756SS**  cis-145.6145.110.5-57.3176.8000109.8
256S26.7Very low30.7Very low109 Ų109141 Ų14176%0.76276%0.755SS**  trans25.4135.7152.8-148.80000120.9
257S28.2Very low31Very low113 Ų113139 Ų13979%0.7976%0.76SS**  -173.7173.865.958.70000116.9
258H27.4Very low31.4Very low169 Ų169135.5 Ų135.578%0.78275%0.754SS**  trans-151.3171.4-176-150.7-156.7000106.7
259V31.3Very low31.6Very low112 Ų112134.2 Ų134.268%0.67975%0.752SS**  cis-126.6-114.522.7-165.40000112.4
260P38.8Very low32Very low113 Ų113132.9 Ų132.973%0.73475%0.749SS**  trans-127.8-176.4-153.946.1-27.1000118.1
261Y33Very low32.8Very low223 Ų223136.1 Ų136.188%0.87576%0.756SS**PPolyproline II helixtrans-59.2145166.5-109.2-96.8000114.5
262P35.6Very low33.2Very low111 Ų111132.5 Ų132.572%0.72175%0.747SS**PPolyproline II helixtrans-100.7163.1155.636.8-30.9000112.9
263V31.2Very low33.3Very low147 Ų147134.2 Ų134.289%0.89175%0.751SS**PPolyproline II helixtrans-97.8159.1178.1169.30000111.5
264A30.9Very low33.6Very low88 Ų88134.2 Ų134.273%0.72775%0.751SS**PPolyproline II helixtrans-49.2150.3-171.800000117.4
265L31.3Very low34Very low169 Ų169133.8 Ų133.889%0.88576%0.756SS**  trans-104.8128.6148.5-78.5176.8000109.9
266H34.8Very low34.3Very low157 Ų157130.4 Ų130.473%0.72775%0.749SS**  trans-90.8104.6178170.5-71.5000109.8N268H266-N268 PolarHBondContact CE1-OD1 3.41Å
267V33.7Very low35Very low118 Ų118128.8 Ų128.872%0.71574%0.742SS**  trans-96.4111.4174-1760000109.7I269V267-I269 HydrophobicContact CG1-CG1 4.1Å; V267-I269 PolarHBondContact O-N 2.69Å
268N35.2Very low35.5Very low123 Ų123126.7 Ų126.766%0.65873%0.732SS**  trans-69.3116.1167.2-103.3-22.6000109.3H266H266-N268 PolarHBondContact CE1-OD1 3.41Å
269I34.9Very low36Very low143 Ų143122.3 Ų122.373%0.73373%0.725SS**  trans-112.588.3160.1-57.6-176000107.5V267V267-I269 HydrophobicContact CG1-CG1 4.1Å; V267-I269 PolarHBondContact O-N 2.69Å
270V39.3Very low36.5Very low107 Ų107124 Ų12465%0.64873%0.728SS**  trans-91.1139.4167.7179.10000107.7
271N46.5Very low36.4Very low147 Ų147127 Ų12779%0.78673%0.733SS**  trans58.185174.2-71.9-8.5000117.6
272V36.3Very low36.5Very low116 Ų116127.1 Ų127.170%0.70373%0.731SS**  trans-132.6112.9139.6-1770000108.5
273P34.3Very low36.7Very low118 Ų118129.4 Ų129.477%0.76673%0.732SS**  trans-83121.6179.531.2-32.1000111.6
274Q34.6Very low37.2Very low161 Ų161132.8 Ų132.875%0.75273%0.731SS**  trans-101.1122.3167.7-72.2-163.54.800111A276Q274-A276 VanDerWaalsContact C-N 3.31Å; Q274-A276 PolarHBondContact O-N 2.74Å
275P38.8Very low37.9Very low122 Ų122136.1 Ų136.179%0.79274%0.736SS**G310 helixtrans-68.3-22.7-178.1-23.434.6000115.5A277P275-A277 PolarHBondContact O-N 2.92Å
276A37.8Very low38.3Very low73 Ų73135 Ų13560%0.60373%0.731SS**G310 helixtrans-71.4-25.9-162.900000115.6Q274 A278Q274-A276 VanDerWaalsContact C-N 3.31Å; Q274-A276 PolarHBondContact O-N 2.74Å; A276-A278 PolarHBondContact O-N 2.58Å
277A40.3Very low39.1Very low75 Ų75133 Ų13362%0.6272%0.722SS**G310 helixtrans-74.1-24.2-173.100000114.1P275 A279P275-A277 PolarHBondContact O-N 2.92Å; A277-A279 PolarHBondContact O-N 2.69Å
278A38.8Very low40.7Very low69 Ų69130.7 Ų130.757%0.5771%0.706SS**G310 helixtrans-74.7-23.4-17200000114.2A276A276-A278 PolarHBondContact O-N 2.58Å
279A38.1Very low42.3Very low77 Ų77129.1 Ų129.164%0.63670%0.702SS**THydrogen-bonded Turntrans-72.2-34-175.900000113.2A277A277-A279 PolarHBondContact O-N 2.69Å
280I41.9Very low44.2Very low147 Ų147126.1 Ų126.175%0.75469%0.685SS**THydrogen-bonded Turntrans-82.5-19.9-169.1-60.3177.3000112.4
281Q36.7Very low45.6Very low177 Ų177125 Ų12583%0.82767%0.671SS**THydrogen-bonded Turntrans-90.7-2.2-178.5-71.1-170.2-15.400115.2
282R34.8Very low47.2Very low224 Ų224122.6 Ų122.685%0.84566%0.656SS**SBendtrans-94.7-1.2-176.9-71.3-159.6173.4-158.8-0.9116.2
283H39.7Very low49.6Very low160 Ų160122.9 Ų122.974%0.74165%0.648SS**SBendtrans-112.223.1-174.6-103.3-67.9000115.9
284Y42.9Very low51.9Low218 Ų218123.6 Ų123.686%0.85564%0.635SS**SBendtrans-14044.4174-87.5-67.5000113.6
285N44.8Very low54.5Low157 Ų157120.1 Ų120.184%0.8462%0.62SS**  trans-150.958.6162.2-98.3-61.3000109.9
286D39.4Very low56.7Low147 Ų147119.3 Ų119.379%0.78660%0.604SS**  trans-96.891.2162.2-139-42.3000106.7D288D286-D288 PolarHBondContact O-N 2.83Å; D286-D288 VanDerWaalsContact O-N 3.16Å
287E52.9Low59.3Low114 Ų114121.8 Ų121.853%0.53360%0.604SS.*  trans-74.297.9169.1-88.2-77.280.300106.9P289 K291E287-P289 VanDerWaalsContact O-N 3.12Å; E287-K291 IonicContact OE1-NZ 2.72Å; E287-K291 PolarHBondContact OE1-NZ 2.9Å; E287-K291 IonicContact OE2-NZ 3.65Å; E287-K291 PolarHBondContact OE2-NZ 3.37Å
288D66.5Low61.7Low69 Ų69124 Ų12437%0.36961%0.605SS.*  trans-35.6115.4178.2167.323.8000111.3D286 E290 K291 E292 R294D286-D288 PolarHBondContact O-N 2.83Å; D286-D288 VanDerWaalsContact O-N 3.16Å; D288-E290 PolarHBondContact O-N 2.95Å; D288-E290 WeakPolarHBondContact OD1-CA 3.28Å; D288-E290 WeakPolarHBondContact OD1-CB 3.27Å; D288-E290 PolarHBondContact OD1-N 3.38Å; D288-K291 HydrophobicContact CB-CB 3.78Å; D288-K291 WeakPolarHBondContact O-CA 3.25Å; D288-K291 VanDerWaalsContact O-CB 3.25Å; D288-K291 WeakPolarHBondContact O-CB 3.39Å; D288-K291 PolarHBondContact O-N 2.84Å; D288-K291 WeakPolarHBondContact OD2-CB 3.18Å; D288-K291 PolarHBondContact OD2-N 3.24Å; D288-K291 VanDerWaalsContact OD2-N 3.15Å; D288-E292 PolarHBondContact O-N 3.12Å; D288-R294 IonicContact OD2-NH1 3.47Å
289P69.4Low64.1Low91 Ų91126.5 Ų126.559%0.59160%0.604SS**Hα-helixtrans-63.1-26-178.125.5-34000111.5E287 K291 K293E287-P289 VanDerWaalsContact O-N 3.12Å; P289-K291 VanDerWaalsContact C-N 3.32Å; P289-K293 WeakPolarHBondContact O-CB 3.45Å; P289-K293 PolarHBondContact O-N 2.94Å
290E74.1Confident66.5Low80 Ų80128.4 Ų128.437%0.37460%0.603SS.*Hα-helixtrans-71.3-27.3173.7-137.970.8-126.300111.5D288 K293 R294D288-E290 PolarHBondContact O-N 2.95Å; D288-E290 WeakPolarHBondContact OD1-CA 3.28Å; D288-E290 WeakPolarHBondContact OD1-CB 3.27Å; D288-E290 PolarHBondContact OD1-N 3.38Å; E290-K293 WeakPolarHBondContact OE1-CD 3.5Å; E290-K293 WeakPolarHBondContact OE1-CE 3.45Å; E290-K293 IonicContact OE1-NZ 2.67Å; E290-K293 PolarHBondContact OE1-NZ 3.07Å; E290-R294 VanDerWaalsContact C-NH1 3.29Å; E290-R294 WeakPolarHBondContact O-CB 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.33Å; E290-R294 PolarHBondContact O-N 2.89Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 PolarHBondContact O-NH1 3.12Å; E290-R294 VanDerWaalsContact O-NH1 3.14Å
291K68.6Low68.8Low82 Ų82126.7 Ų126.736%0.35760%0.595SS.*Hα-helixtrans-75.7-45.8171.5176.8-155.5173.9-144.40111.1E287 D288 P289 K293 R294 I295E287-K291 IonicContact OE1-NZ 2.72Å; E287-K291 PolarHBondContact OE1-NZ 2.9Å; E287-K291 IonicContact OE2-NZ 3.65Å; E287-K291 PolarHBondContact OE2-NZ 3.37Å; D288-K291 HydrophobicContact CB-CB 3.78Å; D288-K291 WeakPolarHBondContact O-CA 3.25Å; D288-K291 VanDerWaalsContact O-CB 3.25Å; D288-K291 WeakPolarHBondContact O-CB 3.39Å; D288-K291 PolarHBondContact O-N 2.84Å; D288-K291 WeakPolarHBondContact OD2-CB 3.18Å; D288-K291 PolarHBondContact OD2-N 3.24Å; D288-K291 VanDerWaalsContact OD2-N 3.15Å; P289-K291 VanDerWaalsContact C-N 3.32Å; K291-K293 VanDerWaalsContact C-N 3.29Å; K291-K293 PolarHBondContact O-N 3.46Å; K291-R294 PolarHBondContact O-N 2.87Å; K291-I295 HydrophobicContact CG-CD1 4.09Å; K291-I295 VanDerWaalsContact O-CG1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.19Å; K291-I295 PolarHBondContact O-N 3.31Å
292E81.6Confident71.2Confident98 Ų98124.2 Ų124.246%0.45859%0.587SS.*Hα-helixtrans-63-39.3177.2-155.6-154.8179.700111.1D288 I295 K296D288-E292 PolarHBondContact O-N 3.12Å; E292-I295 PolarHBondContact O-N 3.03Å; E292-K296 WeakPolarHBondContact O-CG 3.43Å; E292-K296 PolarHBondContact O-N 3.39Å; E292-K296 WeakPolarHBondContact OE1-CE 3.15Å; E292-K296 IonicContact OE1-NZ 3.99Å; E292-K296 PolarHBondContact OE1-NZ 3.35Å; E292-K296 IonicContact OE2-NZ 3.41Å; E292-K296 PolarHBondContact OE2-NZ 3.05Å
293K84.6Confident73.1Confident122 Ų122118.2 Ų118.253%0.5357%0.57SS.*Hα-helixtrans-58.8-50.3171.3177.1178164.9-167.70112.3P289 E290 K291 I295 K296 E297P289-K293 WeakPolarHBondContact O-CB 3.45Å; P289-K293 PolarHBondContact O-N 2.94Å; E290-K293 WeakPolarHBondContact OE1-CD 3.5Å; E290-K293 WeakPolarHBondContact OE1-CE 3.45Å; E290-K293 IonicContact OE1-NZ 2.67Å; E290-K293 PolarHBondContact OE1-NZ 3.07Å; K291-K293 VanDerWaalsContact C-N 3.29Å; K291-K293 PolarHBondContact O-N 3.46Å; K293-I295 VanDerWaalsContact C-N 3.3Å; K293-I295 PolarHBondContact O-N 3.48Å; K293-K296 PolarHBondContact O-N 3.47Å; K293-E297 WeakPolarHBondContact O-CB 3.43Å; K293-E297 PolarHBondContact O-N 3.1Å
294R83.4Confident74.7Confident133 Ų133113.4 Ų113.450%0.50255%0.554SS.*Hα-helixtrans-62-33.1175.6-75.6174.3-160.5110.9-3.9113.2D288 E290 K291 L298D288-R294 IonicContact OD2-NH1 3.47Å; E290-R294 VanDerWaalsContact C-NH1 3.29Å; E290-R294 WeakPolarHBondContact O-CB 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.33Å; E290-R294 PolarHBondContact O-N 2.89Å; E290-R294 VanDerWaalsContact O-N 3.09Å; E290-R294 PolarHBondContact O-NH1 3.12Å; E290-R294 VanDerWaalsContact O-NH1 3.14Å; K291-R294 PolarHBondContact O-N 2.87Å; R294-L298 WeakPolarHBondContact O-CB 3.48Å; R294-L298 PolarHBondContact O-N 3.17Å
295I88.8Confident76Confident87 Ų87105.9 Ų105.945%0.44653%0.53SS..Hα-helixtrans-66.3-47.4175.1-71.6165000110.4K291 E292 K293 E297 L298 E299K291-I295 HydrophobicContact CG-CD1 4.09Å; K291-I295 VanDerWaalsContact O-CG1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.19Å; K291-I295 PolarHBondContact O-N 3.31Å; E292-I295 PolarHBondContact O-N 3.03Å; K293-I295 VanDerWaalsContact C-N 3.3Å; K293-I295 PolarHBondContact O-N 3.48Å; I295-E297 VanDerWaalsContact C-N 3.31Å; I295-E297 PolarHBondContact O-N 2.84Å; I295-L298 PolarHBondContact O-N 2.82Å; I295-E299 WeakPolarHBondContact O-CB 3.37Å; I295-E299 PolarHBondContact O-N 2.66Å
296K86.6Confident77.5Confident105 Ų105103 Ų10346%0.45751%0.512SS..Hα-helixtrans-64.6-34.8176.8-69.8166.4-176.4167.70112.4E292 K293 L300E292-K296 WeakPolarHBondContact O-CG 3.43Å; E292-K296 PolarHBondContact O-N 3.39Å; E292-K296 WeakPolarHBondContact OE1-CE 3.15Å; E292-K296 IonicContact OE1-NZ 3.99Å; E292-K296 PolarHBondContact OE1-NZ 3.35Å; E292-K296 IonicContact OE2-NZ 3.41Å; E292-K296 PolarHBondContact OE2-NZ 3.05Å; K293-K296 PolarHBondContact O-N 3.47Å; K296-L300 VanDerWaalsContact O-CB 3.32Å; K296-L300 WeakPolarHBondContact O-CB 3.37Å; K296-L300 PolarHBondContact O-N 2.59Å
297E90.8Very high78.9Confident125 Ų125100.7 Ų100.758%0.58450%0.5SS*.Hα-helixtrans-65.7-44.2172.5-173174.9-166.500111.7K293 I295 L300 L301K293-E297 WeakPolarHBondContact O-CB 3.43Å; K293-E297 PolarHBondContact O-N 3.1Å; I295-E297 VanDerWaalsContact C-N 3.31Å; I295-E297 PolarHBondContact O-N 2.84Å; E297-L300 PolarHBondContact O-N 3.15Å; E297-L301 WeakPolarHBondContact O-CB 3.19Å; E297-L301 PolarHBondContact O-N 2.87Å
298L90.3Very high79.9Confident123 Ų123101 Ų10164%0.64450%0.501SS*.Hα-helixtrans-62.4-43.3173.3-114.975.1000112.5R294 I295 L301 L302R294-L298 WeakPolarHBondContact O-CB 3.48Å; R294-L298 PolarHBondContact O-N 3.17Å; I295-L298 PolarHBondContact O-N 2.82Å; L298-L301 PolarHBondContact O-N 3.14Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 3.09Å
299E89.4Confident79.5Confident121 Ų121104.3 Ų104.357%0.56552%0.518SS*.Hα-helixtrans-62.4-43.8177.9-175.5174.9-161.400111.1I295 L302 M303I295-E299 WeakPolarHBondContact O-CB 3.37Å; I295-E299 PolarHBondContact O-N 2.66Å; E299-L302 PolarHBondContact O-N 3.37Å; E299-M303 VanDerWaalsContact O-CB 3.26Å; E299-M303 WeakPolarHBondContact O-CB 3.17Å; E299-M303 PolarHBondContact O-N 3.24Å
300L89.6Confident78.8Confident117 Ų117106.5 Ų106.561%0.61352%0.518SS*.Hα-helixtrans-64.3-40.1175-174.462.4000112.3K296 E297 M303 S304K296-L300 VanDerWaalsContact O-CB 3.32Å; K296-L300 WeakPolarHBondContact O-CB 3.37Å; K296-L300 PolarHBondContact O-N 2.59Å; E297-L300 PolarHBondContact O-N 3.15Å; L300-M303 PolarHBondContact O-N 3.01Å; L300-S304 WeakPolarHBondContact O-CB 3.42Å; L300-S304 PolarHBondContact O-N 2.78Å; L300-S304 PolarHBondContact O-OG 2.76Å
301L89.7Confident77.7Confident110 Ų110105.6 Ų105.658%0.57653%0.531SS*.Hα-helixtrans-68.9-38177.5-164.580.3000112.4E297 L298 S304 T305E297-L301 WeakPolarHBondContact O-CB 3.19Å; E297-L301 PolarHBondContact O-N 2.87Å; L298-L301 PolarHBondContact O-N 3.14Å; L301-S304 WeakPolarHBondContact CA-OG 3.16Å; L301-S304 PolarHBondContact O-N 3.29Å; L301-S304 PolarHBondContact O-OG 2.78Å; L301-T305 WeakPolarHBondContact O-CB 3.37Å; L301-T305 WeakPolarHBondContact O-CG2 3.25Å; L301-T305 PolarHBondContact O-N 3.47Å; L301-T305 PolarHBondContact O-OG1 3.1Å
302L87.9Confident76.6Confident126 Ų126109.1 Ų109.166%0.6655%0.549SS*.Hα-helixtrans-65.9-42.5174.6-162.773.5000110.3L298 E299 T305 E306L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 3.09Å; E299-L302 PolarHBondContact O-N 3.37Å; L302-T305 WeakPolarHBondContact CA-OG1 3.37Å; L302-T305 PolarHBondContact O-N 3.4Å; L302-T305 PolarHBondContact O-OG1 3.32Å; L302-T305 VanDerWaalsContact O-OG1 3.05Å; L302-E306 WeakPolarHBondContact O-CB 3.4Å; L302-E306 PolarHBondContact O-N 3.42Å
303M73.3Confident75Confident98 Ų98113 Ų11348%0.48357%0.567SS.*Hα-helixtrans-72.2-30178.2-168.8158.945.800112.6E299 L300 N307E299-M303 VanDerWaalsContact O-CB 3.26Å; E299-M303 WeakPolarHBondContact O-CB 3.17Å; E299-M303 PolarHBondContact O-N 3.24Å; L300-M303 PolarHBondContact O-N 3.01Å; M303-N307 WeakPolarHBondContact O-CB 3.49Å; M303-N307 VanDerWaalsContact O-CG 3.29Å; M303-N307 PolarHBondContact O-N 2.69Å; M303-N307 PolarHBondContact O-ND2 3.45Å
304S73.5Confident72.7Confident58 Ų58111.5 Ų111.541%0.40658%0.577SS.*Hα-helixtrans-71.7-41.5171.567.50000112.1L300 L301 N307 E308L300-S304 WeakPolarHBondContact O-CB 3.42Å; L300-S304 PolarHBondContact O-N 2.78Å; L300-S304 PolarHBondContact O-OG 2.76Å; L301-S304 WeakPolarHBondContact CA-OG 3.16Å; L301-S304 PolarHBondContact O-N 3.29Å; L301-S304 PolarHBondContact O-OG 2.78Å; S304-N307 PolarHBondContact O-N 3.45Å; S304-E308 PolarHBondContact O-N 3.27Å
305T71.9Confident70.4Confident60 Ų60113.2 Ų113.237%0.36860%0.595SS.*Hα-helixtrans-70.3-33.2177.448.50000112.9L301 L302 E308 L309L301-T305 WeakPolarHBondContact O-CB 3.37Å; L301-T305 WeakPolarHBondContact O-CG2 3.25Å; L301-T305 PolarHBondContact O-N 3.47Å; L301-T305 PolarHBondContact O-OG1 3.1Å; L302-T305 WeakPolarHBondContact CA-OG1 3.37Å; L302-T305 PolarHBondContact O-N 3.4Å; L302-T305 PolarHBondContact O-OG1 3.32Å; L302-T305 VanDerWaalsContact O-OG1 3.05Å; T305-E308 PolarHBondContact O-N 2.78Å; T305-L309 WeakPolarHBondContact O-CB 3.46Å; T305-L309 WeakPolarHBondContact O-CG 3.37Å; T305-L309 PolarHBondContact O-N 3.28Å
306E76.1Confident68Low96 Ų96114.9 Ų114.945%0.44961%0.612SS.*Hα-helixtrans-63.7-41.2170-165.5-168.6150.300111.8L302 L309 K310L302-E306 WeakPolarHBondContact O-CB 3.4Å; L302-E306 PolarHBondContact O-N 3.42Å; E306-L309 PolarHBondContact O-N 3.43Å; E306-K310 HydrophobicContact CG-CD 4.44Å; E306-K310 WeakPolarHBondContact O-CB 3.4Å; E306-K310 WeakPolarHBondContact O-CG 3.35Å; E306-K310 PolarHBondContact O-N 3.09Å; E306-K310 WeakPolarHBondContact OE1-CE 3.27Å; E306-K310 IonicContact OE1-NZ 3.64Å; E306-K310 PolarHBondContact OE1-NZ 2.95Å
307N68.4Low65.3Low99 Ų99116.5 Ų116.553%0.52963%0.631SS.*Hα-helixtrans-67.8-35.7176.4-76.8-45.1000112.5M303 S304 K310 G311M303-N307 WeakPolarHBondContact O-CB 3.49Å; M303-N307 VanDerWaalsContact O-CG 3.29Å; M303-N307 PolarHBondContact O-N 2.69Å; M303-N307 PolarHBondContact O-ND2 3.45Å; S304-N307 PolarHBondContact O-N 3.45Å; N307-K310 PolarHBondContact O-N 3.37Å; N307-G311 PolarHBondContact O-N 2.76Å
308E73.9Confident62.4Low121 Ų121119.4 Ų119.457%0.56564%0.644SS**Hα-helixtrans-67.1-43.5174.3-170176.7175.200111.8S304 T305 K310 G311 Q312S304-E308 PolarHBondContact O-N 3.27Å; T305-E308 PolarHBondContact O-N 2.78Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 2.81Å; E308-G311 WeakPolarHBondContact O-CA 3.32Å; E308-G311 PolarHBondContact O-N 2.99Å; E308-Q312 PolarHBondContact O-N 3.35Å
309L57.8Low59.6Low138 Ų138120.3 Ų120.372%0.72365%0.65SS**Hα-helixtrans-62.4-36.4174.7-76.4167000112.6T305 E306 G311T305-L309 WeakPolarHBondContact O-CB 3.46Å; T305-L309 WeakPolarHBondContact O-CG 3.37Å; T305-L309 PolarHBondContact O-N 3.28Å; E306-L309 PolarHBondContact O-N 3.43Å; L309-G311 VanDerWaalsContact C-N 3.32Å
310K53.8Low56.8Low137 Ų137123.6 Ų123.660%0.59667%0.665SS**Hα-helixtrans-71.1-26.3171-76.4169.7171.7171.10113E306 N307 E308E306-K310 HydrophobicContact CG-CD 4.44Å; E306-K310 WeakPolarHBondContact O-CB 3.4Å; E306-K310 WeakPolarHBondContact O-CG 3.35Å; E306-K310 PolarHBondContact O-N 3.09Å; E306-K310 WeakPolarHBondContact OE1-CE 3.27Å; E306-K310 IonicContact OE1-NZ 3.64Å; E306-K310 PolarHBondContact OE1-NZ 2.95Å; N307-K310 PolarHBondContact O-N 3.37Å; E308-K310 VanDerWaalsContact C-N 3.31Å; E308-K310 PolarHBondContact O-N 2.81Å
311G51.3Low53.9Low62 Ų62124.5 Ų124.564%0.63968%0.675SS**Hα-helixtrans-75-24.3-17900000115.4N307 E308 L309N307-G311 PolarHBondContact O-N 2.76Å; E308-G311 WeakPolarHBondContact O-CA 3.32Å; E308-G311 PolarHBondContact O-N 2.99Å; L309-G311 VanDerWaalsContact C-N 3.32Å
312Q46.9Very low51Low156 Ų156124.6 Ų124.673%0.72968%0.684SS**THydrogen-bonded Turntrans-91.3-1.3-174.8-64.1-162.818.800115.4E308 A314E308-Q312 PolarHBondContact O-N 3.35Å; Q312-A314 PolarHBondContact O-N 2.81Å
313Q46.4Very low48Very low179 Ų179124 Ų12484%0.83669%0.691SS**  trans-97.552.5-172.2-160169.398.100114.5
314A37.3Very low45.8Very low91 Ų91129.5 Ų129.575%0.75271%0.707SS**  trans-156.493.1170.400000114.5Q312Q312-A314 PolarHBondContact O-N 2.81Å
315L34.3Very low44Very low169 Ų169131.9 Ų131.989%0.88572%0.721SS**  trans-135.2131.4154.3-82.7178.5000109.9
316P38.3Very low41.9Very low122 Ų122132.5 Ų132.579%0.79274%0.739SS**  trans-88.3111.9-173.232.9-33.4000112.4Q318P316-Q318 PolarHBondContact O-N 3.14Å
317T30.6Very low39.8Very low139 Ų139139.7 Ų139.785%0.85376%0.763SS**  trans-77.4101.9162.949.60000109.8
318Q30.6Very low37.9Very low185 Ų185143.7 Ų143.786%0.86478%0.778SS**  trans-87.4145.8166-152.1-178.726.900110.6P316P316-Q318 PolarHBondContact O-N 3.14Å
319N29.7Very low35.6Very low142 Ų142143.1 Ų143.176%0.75979%0.787SS**  trans-75.8133.8-165.1-53.6-69.8000113.5
320H31.1Very low34.2Very low191 Ų191143.8 Ų143.888%0.88480%0.797SS**  trans-114.7126.1146.4-78.8-64.3000109.5
321T29.6Very low33.1Very low135 Ų135142.5 Ų142.583%0.82881%0.805SS**  trans-75.8129.9-174.546.40000112.2
322C27.7Very low32.2Very low113 Ų113147.6 Ų147.676%0.76482%0.816SS**  trans-142.899.4154.5-166.80000109.5
323S26.4Very low31.6Very low114 Ų114147.1 Ų147.180%0.79782%0.824SS**  trans-72.7139.8166.5-55.90000109.2
324Y25.9Very low30.8Very low213 Ų213144.4 Ų144.484%0.83582%0.815SS**  trans-129.6141.9159.7-119.9-95.9000110.5
325P36.1Very low30.4Very low108 Ų108147.4 Ų147.470%0.70181%0.813SS**  trans-90.4168.6-158.7-8.829.3000114.3
326G27.3Very low30.3Very low72 Ų72145.6 Ų145.674%0.74281%0.81SS**  trans-67.5152.8171.600000113.3H328G326-H328 PolarHBondContact O-N 2.72Å
327W31.9Very low30.2Very low248 Ų248151.2 Ų151.294%0.93982%0.815SS**  trans-84.4102.2-178.8-79.453.2000112.1
328H29.6Very low31.4Very low182 Ų182149.7 Ų149.784%0.84381%0.807SS**  trans-141.9128.5160-74.4-61.8000113.1G326G326-H328 PolarHBondContact O-N 2.72Å
329S25.6Very low31.4Very low110 Ų110150.3 Ų150.377%0.76981%0.81SS**  trans43111.5152.9-560000120.6S331S329-S331 PolarHBondContact O-N 3.47Å
330T28.3Very low31.4Very low151 Ų151146.2 Ų146.293%0.92680%0.801SS**  trans-64.5120.3154.60.90000111.4
331S30.6Very low31.3Very low110 Ų110144.6 Ų144.677%0.76980%0.799SS**  trans-152.2103.2155.962.10000111.6S329S329-S331 PolarHBondContact O-N 3.47Å
332I31.9Very low31.3Very low169 Ų169144.1 Ų144.187%0.86780%0.801SS**  trans-69138.116541.3167.1000110.9
333V34.9Very low31.3Very low147 Ų147143.1 Ų143.189%0.89180%0.801SS**  -167168.1112.692.40000110.3
334D28.6Very low32.5Very low122 Ų122143.2 Ų143.265%0.65280%0.799SS**  trans-126135.3-165.2-166.434.2000112.1
335Q30.2Very low32.6Very low154 Ų154138.8 Ų138.872%0.7279%0.794SS**  trans62.3170.7164.9-36.4-157.739.700117.4
336T32.5Very low32.4Very low131 Ų131138.7 Ų138.780%0.80480%0.796SS**  cis-145.2172.612.8-35.30000113.2
337R35.4Very low32.4Very low239 Ų239140.4 Ų140.490%0.90280%0.795SS**  trans-74170.7-177.9-101.4-168.4167.1177.4-3.3115.6
338P56.5Low32.2Very low107 Ų107137.1 Ų137.170%0.69580%0.795SS**  trans-115.2173.1-158.143.7-37.1000116.3
339H30.5Very low32.2Very low199 Ų199131.4 Ų131.492%0.92179%0.785SS**  trans-170.2157.8143.2-119.3-80.1000112.7
340G29.3Very low32.4Very low56 Ų56133.7 Ų133.758%0.57778%0.784SS**  trans99.794.6139.500000120.7
341D29.5Very low32.6Very low156 Ų156134.4 Ų134.483%0.83478%0.776SS**  52.2133.4129.2-54.7-17.6000125.1
342S28.9Very low32.6Very low126 Ų126137 Ų13788%0.88178%0.776SS**  trans81.4150.2145.4-60.90000121.3
343A27.6Very low32.7Very low92 Ų92133 Ų13376%0.7677%0.768SS**  trans-119-165.3-171.800000109.9
344P51Low32.7Very low116 Ų116132.4 Ų132.475%0.75377%0.765SS**  cis-140.6-150.52.736.2-10.7000114.8
345V29.3Very low33.8Very low119 Ų119131.7 Ų131.772%0.72177%0.767SS**  trans88.491.6165.7-172.30000116.4
346S30.2Very low33.7Very low106 Ų106130 Ų13074%0.74177%0.773SS**  88.8155.394.6-55.40000113.6
347C27.9Very low33.7Very low108 Ų108131.8 Ų131.873%0.7378%0.776SS**  cis-149.5150.727.1-67.50000114
348L28.6Very low34.6Very low179 Ų179125.8 Ų125.894%0.93777%0.768SS**  trans55.9152.4161.5-78.181.5000119.3
349G28.6Very low33.3Very low62 Ų62125.4 Ų125.464%0.63977%0.774SS**  cis163.2112.9-9.900000114.2
350E31.1Very low33.3Very low159 Ų159123 Ų12374%0.74377%0.768SS**  trans63.3158.7166-56.1-177.956.900118.3
351H32.2Very low34.3Very low165 Ų165125.6 Ų125.676%0.76478%0.775SS**  cis-128.1-170.910.8-59-83.5000114
352H30.3Very low34.3Very low164 Ų164121.2 Ų121.276%0.75977%0.767SS**  trans-87.2144.6-164.2-52.7-91.6000114.7
353A34.5Very low34.3Very low86 Ų86121.6 Ų121.671%0.71177%0.769SS**  61.7146.292.800000116
354T33.5Very low34.5Very low135 Ų135124.9 Ų124.983%0.82877%0.773SS**  cis-152.2-15818.6-16.70000110.3
355P51.6Low34.2Very low106 Ų106125.2 Ų125.269%0.68878%0.775SS**  trans-120-173.4-15044-26.3000116.6
356S27.5Very low34.4Very low120 Ų120128.3 Ų128.384%0.83978%0.782SS**  -173.9158.2110.8-74.10000115.9
357L34.6Very low34.4Very low167 Ų167131.6 Ų131.687%0.87479%0.785SS**  trans-97.4-162.1-171.3-71.6165.3000112.6
358P53.6Low34.6Very low114 Ų114131.3 Ų131.374%0.7478%0.784SS**  -139.3-168.8-62.240.3-22.9000115.4
359A29.8Very low34.5Very low98 Ų98127.4 Ų127.481%0.8178%0.778SS**  trans107.5137.6133.200000123.2
360D30.3Very low34.6Very low150 Ų150130.1 Ų130.180%0.80279%0.787SS**  trans-107.2-166.5163.9-154.225.4000106.3
361P50.2Low35Very low110 Ų110128.5 Ų128.571%0.71479%0.79SS**  cis-139.7175-7.344.2-26.4000117.1
362G28Very low34.8Very low64 Ų64125 Ų12566%0.6679%0.79SS**  94.3133.7119.900000124.4
363S30.4Very low34.9Very low134 Ų134128.9 Ų128.994%0.93780%0.798SS**  trans89.7160.7144.975.30000122.7
364L30.4Very low34.6Very low161 Ų161131 Ų13184%0.84381%0.807SS**  trans-112.3159.5-167.4-99.2167.6000111.9
365P45.9Very low34.6Very low122 Ų122132.9 Ų132.979%0.79281%0.808SS**  -150.8-171.499.239.7-20.8000116.2
366E33.6Very low33.9Very low185 Ų185135.5 Ų135.586%0.86481%0.814SS**  trans-70.2162.1176.2-60.4171.694.200112.5
367E30.3Very low34.4Very low174 Ų174135.6 Ų135.681%0.81381%0.81SS**  -175.8162.456.5-159.1-159.9117.100112.3
368S31.6Very low34.3Very low102 Ų102135.1 Ų135.171%0.71380%0.803SS**  trans80.4165.5153.785.50000121.4
369A27.4Very low33.7Very low97 Ų97139.4 Ų139.480%0.80281%0.813SS**  trans75.2112.4170.700000120.8
370S29.1Very low34.4Very low120 Ų120137.3 Ų137.384%0.83980%0.801SS**  trans-131.1171.4151.1-79.70000107.1
371P40.9Very low35.2Very low124 Ų124134.8 Ų134.881%0.80579%0.791SS**  cis-131.8156.40.739.3-24.1000115.2
372A27.2Very low35.1Very low92 Ų92135.9 Ų135.976%0.7679%0.789SS**  trans-175.5159.3143.500000112.6
373R33Very low35.8Very low246 Ų246139.7 Ų139.793%0.92879%0.794SS**  trans61.581.4164.2-58.9-175.9-178-156.5-0.3117.8
374C27.9Very low36.4Very low131 Ų131139.3 Ų139.389%0.88578%0.781SS**  trans-141.8104.7133-159.60000110.1
375M33.9Very low37.1Very low174 Ų174137.7 Ų137.786%0.85777%0.774SS**  trans-126.4156.5169.3-83.7-97.6-74.800106.5
376I36.7Very low37.3Very low160 Ų160136.7 Ų136.782%0.82177%0.765SS**  trans87.389.9-173.3-50.6159.9000113.4
377V36.5Very low37.8Very low123 Ų123135.9 Ų135.975%0.74576%0.759SS**  179.9107123.2153.50000106.8
378H34.1Very low38.8Very low157 Ų157133.1 Ų133.173%0.72775%0.75SS**  trans168.468.6150-102.5-74.4000110.8
379Q41.1Very low39.4Very low203 Ų203134.8 Ų134.895%0.94975%0.75SS**  trans-110.195165.7-168.9172.921.100108.2
380G43.8Very low40.3Very low55 Ų55137 Ų13757%0.56775%0.747SS**SBendtrans-177.7-32-178.400000114.8I382G380-I382 VanDerWaalsContact C-N 3.33Å; G380-I382 PolarHBondContact O-N 2.99Å
381T47.5Very low41.1Very low96 Ų96138 Ų13859%0.58974%0.739SS**THydrogen-bonded Turntrans-84.18-174.238.90000115.7
382I47.1Very low41.1Very low133 Ų133139.6 Ų139.668%0.68273%0.733SS**THydrogen-bonded Turntrans-102.6-21.2-174.2-65.1178.2000113G380G380-I382 VanDerWaalsContact C-N 3.33Å; G380-I382 PolarHBondContact O-N 2.99Å
383L43.5Very low41.8Very low144 Ų144138.7 Ų138.775%0.75473%0.726SS**SBendtrans-84.6-31-174.9-75.8168.7000114.6V386L383-V386 PolarHBondContact O-N 2.81Å
384D43.6Very low42.3Very low126 Ų126135.2 Ų135.267%0.67472%0.72SS**Hα-helixtrans-67.8-39.4179.6-82.1-22.2000112.9V386 K387 N388D384-V386 PolarHBondContact O-N 3.01Å; D384-K387 PolarHBondContact O-N 2.84Å; D384-K387 VanDerWaalsContact O-N 3.07Å; D384-N388 PolarHBondContact O-N 2.93Å
385N45.1Very low43Very low127 Ų127134.3 Ų134.368%0.67971%0.711SS**Hα-helixtrans-63.5-24.3-178.1-74.67.6000113.3
386V48.7Very low43.5Very low102 Ų102132.9 Ų132.962%0.61871%0.706SS**Hα-helixtrans-77.2-32.8177-1760000111.2L383 D384L383-V386 PolarHBondContact O-N 2.81Å; D384-V386 PolarHBondContact O-N 3.01Å
387K45.9Very low43.7Very low168 Ų168133.7 Ų133.773%0.7371%0.706SS**Hα-helixtrans-74.6-39-178.8-159.2176.5-176.2-174.80112D384 L389 L390D384-K387 PolarHBondContact O-N 2.84Å; D384-K387 VanDerWaalsContact O-N 3.07Å; K387-L389 VanDerWaalsContact C-N 3.29Å; K387-L389 PolarHBondContact O-N 3.44Å; K387-L390 PolarHBondContact O-N 3.21Å
388N50.2Low43.7Very low116 Ų116137.1 Ų137.162%0.6271%0.711SS**Hα-helixtrans-70.2-24.3-179.5-142-112.2000113.3D384 L390D384-N388 PolarHBondContact O-N 2.93Å; N388-L390 VanDerWaalsContact C-N 3.34Å; N388-L390 PolarHBondContact O-N 3.22Å
389L44Very low43.9Very low137 Ų137137 Ų13772%0.71771%0.714SS**Hα-helixtrans-73.1-24.5179.6-164.567.5000113.4K387K387-L389 VanDerWaalsContact C-N 3.29Å; K387-L389 PolarHBondContact O-N 3.44Å
390L45.9Very low43.3Very low143 Ų143135 Ų13575%0.74971%0.711SS**Hα-helixtrans-79.9-31.6-179.3-168.161.5000112.3K387 N388K387-L390 PolarHBondContact O-N 3.21Å; N388-L390 VanDerWaalsContact C-N 3.34Å; N388-L390 PolarHBondContact O-N 3.22Å
391E46.4Very low42.6Very low141 Ų141137.2 Ų137.266%0.65972%0.717SS**Hα-helixtrans-76.4-24.6-178.2-159.6164.6-147.300112.5A393E391-A393 VanDerWaalsContact C-N 3.28Å; E391-A393 PolarHBondContact O-N 3.5Å
392F41.5Very low41.8Very low157 Ų157140.1 Ų140.169%0.68973%0.729SS**THydrogen-bonded Turntrans-74.5-13.2176.7-164.3-98.2000113.9
393A41.3Very low41Very low73 Ų73138.8 Ų138.860%0.60373%0.731SS**THydrogen-bonded Turntrans-80-22.6-177.600000113.7E391E391-A393 VanDerWaalsContact C-N 3.28Å; E391-A393 PolarHBondContact O-N 3.5Å
394E44.2Very low40.4Very low173 Ų173136.6 Ų136.681%0.80873%0.728SS**SBendtrans-92.8-15.7-167.1-156.5160.5-137.500113.5
395T42.8Very low39.9Very low113 Ų113142.4 Ų142.469%0.69374%0.741SS**THydrogen-bonded Turntrans-893.1-175.2-10.60000115.3
396L42.8Very low39.2Very low144 Ų144141.7 Ų141.775%0.75475%0.745SS**THydrogen-bonded Turntrans-106.825.9-177.5-74.3174000114.4
397Q41.8Very low38.2Very low177 Ų177143.1 Ų143.183%0.82775%0.749SS**SBendtrans-116.715.8174.3-68.7-161.44.800115
398F36Very low37.3Very low194 Ų194143.5 Ų143.585%0.85176%0.758SS**SBendtrans-132.7142.3173.5-105.4-93.6000113
399I38.1Very low36.3Very low154 Ų154142.9 Ų142.979%0.7976%0.763SS**  trans67.667.5178.2-39.6177.7000114.3
400D28.8Very low35.5Very low163 Ų163141.3 Ų141.387%0.87276%0.763SS**  trans-106.7136.9139.6-135.7-16.9000106.3
401S30.5Very low34.4Very low100 Ų100144.6 Ų144.670%0.69977%0.772SS**  trans84.8126.2-155.9-37.60000113
402D29.2Very low33.5Very low158 Ų158146.7 Ų146.785%0.84578%0.782SS**  cis-142.8-179.240.8-144.9-24.7000114.6
403S30.3Very low32.9Very low104 Ų104147.3 Ų147.373%0.72778%0.784SS**  trans-101.3165.1-175.6-620000114.2
404S31.3Very low32.1Very low99 Ų99148.6 Ų148.669%0.69279%0.789SS**  trans60.6107.1159.5177.80000118.1
405W33.5Very low31.4Very low247 Ų247148 Ų14894%0.93679%0.786SS**  -143.1135128.1-87.5101.4000110.4
406C30.3Very low30.6Very low112 Ų112152 Ų15276%0.75780%0.797SS**  trans-115.7160165.2-770000108.6
407D26.6Very low30Very low132 Ų132149.7 Ų149.771%0.70680%0.799SS**  trans62.2106.8158.5-159.14.6000118.6S409D407-S409 PolarHBondContact OD1-N 2.89Å
408L27.4Very low29.4Very low177 Ų177146.2 Ų146.293%0.92780%0.8SS**  trans-149.994.7140.4-85.6-169.2000108.9
409S29.2Very low29Very low102 Ų102140.6 Ų140.671%0.71379%0.79SS**  trans-107.189.9162.959.50000111.1D407D407-S409 PolarHBondContact OD1-N 2.89Å
410S26.6Very low28.5Very low105 Ų105143.1 Ų143.173%0.73480%0.795SS**  trans-165.2116.4166.7-78.40000110.2
411F23.9Very low28.3Very low212 Ų212140.5 Ų140.593%0.9379%0.79SS**  trans166.9109.2137.9-95.8-64.3000111.8
412E28.4Very low28.8Very low184 Ų184141.5 Ų141.586%0.8679%0.794SS**  trans-119162.2154.5-81.5-174.4113.500106.6
413F27.6Very low28.7Very low171 Ų171138.7 Ų138.775%0.7579%0.787SS**  cis-166143.3-27.4-179.1-84.7000107E415F413-E415 HydrophobicContact CE1-CB 4.27Å
414S25.1Very low28.6Very low100 Ų100142.8 Ų142.870%0.69979%0.794SS**  trans169.1129.1156.5-92.70000106.9
415E30Very low28.6Very low159 Ų159146.5 Ų146.574%0.74380%0.801SS**  cis83.8100.849.3-172.5171.9-150.600113.2F413F413-E415 HydrophobicContact CE1-CB 4.27Å
416E25.5Very low29.1Very low198 Ų198139.8 Ų139.893%0.92579%0.789SS**  -158.1-177.3114.8-152.9160.613600109
417A30.1Very low28.9Very low96 Ų96141.1 Ų141.179%0.79379%0.794SS**  trans-127.6150.6-153.400000116.2
418A28.9Very low28.9Very low103 Ų103137.9 Ų137.985%0.85179%0.792SS**  trans169.4165.1144.400000110.4
419A27.6Very low29Very low77 Ų77139.1 Ų139.164%0.63679%0.79SS**  cis-171.3156.2-42.600000107.5
420F27.5Very low28.9Very low206 Ų206138.3 Ų138.390%0.90479%0.789SS**  trans60.4123.5164.5-67.5-72.2000122
421S24.3Very low29Very low108 Ų108142.7 Ų142.776%0.75580%0.795SS**  trans-83.8172.3143-125.10000109
422P42.1Very low29.2Very low122 Ų122139.3 Ų139.379%0.79278%0.782SS**  cis-146.9-171.539.742.5-21000117.4
423S26.8Very low29.2Very low99 Ų99136.9 Ų136.969%0.69277%0.774SS**  trans-67.1144.2174.8175.10000115.2
424Q28.4Very low29.3Very low189 Ų189135.8 Ų135.888%0.88377%0.772SS**  -164.9156.2125.6-112169.193.100114.5
425Q31Very low29.4Very low177 Ų177138.2 Ų138.283%0.82777%0.772SS**  trans-89.2-173.2165.2-71.1-165.2-8.900109.3
426P43.8Very low29.3Very low106 Ų106139.7 Ų139.769%0.68877%0.771SS**  cis-145.8-146.812.344.5-21.3000115.5
427T26.6Very low29.4Very low140 Ų140137.8 Ų137.886%0.85976%0.762SS**  trans82.8146.2175.877.20000116.7
428G25.8Very low29.2Very low64 Ų64136.7 Ų136.766%0.6676%0.76SS**  cis141.2102-15.100000115.9
429K30.6Very low29.1Very low204 Ų204141.6 Ų141.689%0.88777%0.765SS**  trans-177136.3159.6-94.3137.5-168.6176.10107
430A27.7Very low28.9Very low85 Ų85141.6 Ų141.670%0.70277%0.772SS**  73.3133.859.300000112.5
431F26.8Very low28.9Very low196 Ų196138.8 Ų138.886%0.8677%0.772SS**  cis-150.2-1584-147.8-108.9000113.2
432Q28.9Very low28.9Very low142 Ų142145.5 Ų145.566%0.66478%0.781SS**  trans-111.8153.3-150.3-163-177.4-9.800115.1
433L28.3Very low28.2Very low132 Ų132145.6 Ų145.669%0.69178%0.784SS**  trans70.3123.8152.8-120.676.5000123.1
434Q29.4Very low28.4Very low149 Ų149145.7 Ų145.770%0.69679%0.791SS**  121.6128113-153.2162.416.100121.5
435Q27.9Very low28.4Very low150 Ų150140.3 Ų140.370%0.70179%0.786SS**  trans56116.4153.3-77.6-174.1110.700124.8
436R27.4Very low28.5Very low190 Ų190139 Ų13972%0.71778%0.78SS**  55.8126.2107.9-166.9174.4-178.9166.12.3121.6
437E27.8Very low28.7Very low159 Ų159139.9 Ų139.974%0.74379%0.786SS**  trans68.3141155.5-81.4163.5-16200121.2
438G26.9Very low28.9Very low73 Ų73136.4 Ų136.475%0.75377%0.767SS**  trans121.3114.1147.700000117.5
439H25.6Very low29.1Very low206 Ų206140 Ų14095%0.95477%0.771SS**  trans-20.2135.2161.8-80.3-108.5000118
440G24Very low29.1Very low77 Ų77140.8 Ų140.879%0.79477%0.768SS**  trans-177.6115.116600000115.6
441T26.1Very low29.2Very low146 Ų146142.1 Ų142.190%0.89677%0.767SS**  trans-45148.8177.739.50000118.8
442R25.8Very low29.6Very low250 Ų250138.6 Ų138.694%0.94376%0.762SS**  trans-36.7151.8166.1-69.9171.1163.7162.6-7.6116.1
443S27.8Very low29.9Very low123 Ų123140.8 Ų140.886%0.8676%0.764SS**  trans-81149.3164.552.30000113.5
444A30Very low30.1Very low102 Ų102143.9 Ų143.984%0.84377%0.766SS**  trans-169.4142.8159.700000112.4
445G29.2Very low30.3Very low75 Ų75142.5 Ų142.577%0.77377%0.768SS**  trans76.5162.1161.100000117.2
446E31.7Very low30.4Very low151 Ų151142.4 Ų142.471%0.70677%0.771SS**  cis-161.9-155.6-15.8-133.7-149.8178.300106.9S448E446-S448 VanDerWaalsContact CD-OG 3.22Å; E446-S448 WeakPolarHBondContact OE1-CA 3.19Å; E446-S448 WeakPolarHBondContact OE1-CB 3.4Å; E446-S448 PolarHBondContact OE1-OG 3.07Å; E446-S448 WeakPolarHBondContact OE2-CB 3.43Å; E446-S448 PolarHBondContact OE2-OG 2.67Å
447P49Very low30.6Very low123 Ų123137.6 Ų137.680%0.79977%0.767SS**  cis-123168.41.640.1-24000115.3
448S29.8Very low30.5Very low68 Ų68138.3 Ų138.348%0.47677%0.77SS.*  cis-157.1-139.6-25.4-162.20000107E446E446-S448 VanDerWaalsContact CD-OG 3.22Å; E446-S448 WeakPolarHBondContact OE1-CA 3.19Å; E446-S448 WeakPolarHBondContact OE1-CB 3.4Å; E446-S448 PolarHBondContact OE1-OG 3.07Å; E446-S448 WeakPolarHBondContact OE2-CB 3.43Å; E446-S448 PolarHBondContact OE2-OG 2.67Å
449L30.6Very low30.5Very low139 Ų139139.6 Ų139.673%0.72877%0.774SS**  cis-150149.413.4-90.1178.3000112
450R30.9Very low30.6Very low221 Ų221135.2 Ų135.283%0.83477%0.766SS**  trans21.6137.9135.5-60.2-172-172.5-164.91.9120.2
451V29.7Very low30.8Very low113 Ų113139.3 Ų139.369%0.68577%0.769SS**  cis-168.2135.110.2111.80000115.3
452T34.2Very low31Very low121 Ų121136 Ų13674%0.74276%0.763SS**  trans62.9154.4154.265.70000122.1
453R35.4Very low31.9Very low188 Ų188130.5 Ų130.571%0.70976%0.76SS**  cis-162.1145.8-3.6-128.6-174.2174.5167.91.8113.9
454R33Very low31.8Very low197 Ų197132.5 Ų132.574%0.74376%0.762SS**  trans61.4151.4149.7-79.3179174.5172.7-4.2119.2
455V34.3Very low31.8Very low120 Ų120132.4 Ų132.473%0.72776%0.755SS**  cis-177.1162.9-11.265.20000106.7
456L30.1Very low32.9Very low148 Ų148133.7 Ų133.778%0.77575%0.749SS**  cis-116.3-166.315.6-71.9157.9000111
457S29.9Very low32.7Very low89 Ų89135.5 Ų135.562%0.62276%0.758SS**  cis77.4141.115.9-78.60000116.9
458E27.6Very low31.9Very low175 Ų175133.6 Ų133.682%0.81875%0.753SS**  cis-169.4-170.8-12-139.2163.8127.500113
459A26.4Very low31.9Very low99 Ų99140.6 Ų140.682%0.81877%0.768SS**  trans78.1152162.500000119.7
460S26.7Very low31.9Very low114 Ų114141.8 Ų141.880%0.79777%0.77SS**  cis-161.7172.7-27-1640000112.5
461L28.6Very low31.7Very low164 Ų164136.4 Ų136.486%0.85977%0.766SS**  trans-55.5144.8-172.4-59.2157.3000118.8
462G31Very low31.7Very low75 Ų75140.7 Ų140.777%0.77378%0.776SS**  81.6123.612300000121.4
463P43.9Very low31.7Very low136 Ų136141.3 Ų141.388%0.88378%0.779SS**  trans-106.7162.5168.138.8-31.5000114.5
464D26.5Very low32Very low165 Ų165138 Ų13888%0.88278%0.782SS**  trans-134.6177.3178.8-151-25.2000111.8
465S28.9Very low31.9Very low100 Ų100136.1 Ų136.170%0.69979%0.786SS**  trans-79.2179.4-173.5-143.60000113.9
466P52.9Low31.6Very low102 Ų102136.9 Ų136.966%0.66279%0.79SS**  -161.3-172.665.744.1-20.7000119.4
467Q27.9Very low31.6Very low189 Ų189136 Ų13688%0.88379%0.791SS**  trans70.4162.1161.5-62.1-179.512.400118.7
468A30.8Very low31.8Very low83 Ų83139.4 Ų139.469%0.68680%0.801SS**  cis-176.3166.4-32.300000109.7
469R30.3Very low31.9Very low214 Ų214142 Ų14281%0.80880%0.804SS**  cis-170.4171.2-27.4-95.2-176.9178.5-175.90.2110.1
470H30.9Very low32Very low164 Ų164146.7 Ų146.776%0.75981%0.805SS**  trans81.496.2155.5-59-64.9000124.6
471S26.4Very low32.3Very low108 Ų108152.8 Ų152.876%0.75581%0.811SS**  55.7119.2123.8-165.40000124.9
472K30.1Very low32.3Very low203 Ų203156.5 Ų156.588%0.88381%0.814SS**  176.8171.4119.9-97169-176177.20114.2
473V34.6Very low32.2Very low135 Ų135156.1 Ų156.182%0.81881%0.809SS**  trans-123.6143.7-174.7-157.30000111
474P41.8Very low31.5Very low119 Ų119159 Ų15977%0.77381%0.811SS**  -144.4143.3111.434.6-17.9000113.2
475L30.3Very low31.6Very low156 Ų156155.1 Ų155.182%0.81780%0.802SS**  59.9128.379.7-159.873000116.3
476V28.5Very low31.6Very low136 Ų136155.9 Ų155.982%0.82481%0.808SS**  trans-114.2138.1-177175.50000111.8
477V30.7Very low31.5Very low129 Ų129156.8 Ų156.878%0.78281%0.813SS**  trans-141.3146.7172.4178.70000111.4
478L33.3Very low31.6Very low162 Ų162155.7 Ų155.785%0.84881%0.813SS**  trans-83.5145.6-172.3-67.7158.6000115.7
479R29.3Very low31.6Very low230 Ų230155.6 Ų155.687%0.86881%0.812SS**  trans-163.9118.3147.4-106.9173.317081.3-5.8109.1
480K29.5Very low31.5Very low196 Ų196150.6 Ų150.685%0.85282%0.816SS**  82.1118.278.1-172.7173.3-178.7173.20114.2
481R32.3Very low31.3Very low242 Ų242146.8 Ų146.891%0.91382%0.821SS**  trans-77.4151.3173.5-107.6-174.6176.6-157.70113
482R28.7Very low31.4Very low243 Ų243150 Ų15092%0.91782%0.824SS**  trans-78.9161.6161.4-82.4175.4167159.9-6.3110.7
483G28.4Very low32.2Very low66 Ų66144.9 Ų144.968%0.6881%0.812SS**  cis118.695.9-9.600000116.1
484Q30.2Very low32Very low196 Ų196143.4 Ų143.492%0.91681%0.808SS**  trans-172147.5161.1-87.5-126.86.100107.8
485A28Very low32.6Very low85 Ų85143 Ų14370%0.70280%0.804SS**  cis-152.7164.5-1000000112.3
486S28.8Very low32.5Very low116 Ų116140.4 Ų140.481%0.81180%0.8SS**  trans-74.6-177.9-175-53.10000114.4
487P51.7Low32.6Very low120 Ų120140.2 Ų140.278%0.77979%0.793SS**  cis-134.6-154.516.239.9-15.4000113.9
488L29.1Very low32.6Very low167 Ų167142.8 Ų142.887%0.87479%0.794SS**  cis-150.8-117.811.2-146.8-170.3000113.9
489A29.7Very low32.4Very low81 Ų81138.4 Ų138.467%0.66978%0.782SS**  trans-78.9151.8-173.700000113.7
490A29.4Very low32.2Very low108 Ų108134.7 Ų134.789%0.89378%0.779SS**  cis99.9123.727.300000114.1
491G27.1Very low32.3Very low84 Ų84130.7 Ų130.787%0.86677%0.771SS**  trans159.689.217900000116
492E27.4Very low32.1Very low176 Ų176126.3 Ų126.382%0.82276%0.764SS**  trans-91.5177.6160.7-84.2-75.8178.400109.3
493P46.7Very low32Very low96 Ų96120.3 Ų120.362%0.62376%0.759SS**  cis-139.1159.4-17.134.2-14.7000116.7
494S31.4Very low32Very low104 Ų104121.6 Ų121.673%0.72776%0.758SS**  trans67.3-175.9137.475.70000120.4
495P54.8Low31.8Very low109 Ų109117.9 Ų117.971%0.70875%0.748SS**  -139.9-149.7-78.845.1-26000113.5
496S27.3Very low32.1Very low102 Ų102121.2 Ų121.271%0.71375%0.754SS**  trans91.2147.1153.585.70000118.4
497L30.3Very low32.1Very low132 Ų132125 Ų12569%0.69176%0.756SS**  cis-169.2179.1-25.9-116168.6000109
498F30.1Very low31Very low183 Ų183131 Ų13180%0.80376%0.762SS**  trans73.2150.1162.3-49.3-62000117.8
499A29.2Very low31.2Very low71 Ų71127.6 Ų127.659%0.58775%0.753SS**  cis-167.3161.3-23.600000110.3
500D26.7Very low31.9Very low152 Ų152129.5 Ų129.581%0.81376%0.758SS**  34.8148.3129.6-55.5-22.7000121.7
501V30.6Very low31.9Very low112 Ų112130.2 Ų130.268%0.67975%0.751SS**  cis-163.3156.3-1.1117.90000111.4
502I29.4Very low32.1Very low150 Ų150135.9 Ų135.977%0.76975%0.752SS**  trans1.4129.4155.8-46.7157.3000118.6
503S25.4Very low32.2Very low117 Ų117132.7 Ų132.782%0.81875%0.75SS**  176179.4110.6-153.40000115.2
504S28.6Very low31.9Very low92 Ų92136.1 Ų136.164%0.64376%0.762SS**  trans-109.9176.5-151.561.30000118.1
505T26.1Very low32.7Very low118 Ų118136.3 Ų136.372%0.72476%0.761SS**  trans79.2111150.4440000123.1
506L33.4Very low31.4Very low155 Ų155140.9 Ų140.981%0.81277%0.77SS**  42.7124.1128-78.9162.3000121.7
507K29.4Very low31.8Very low196 Ų196141.2 Ų141.285%0.85277%0.772SS**  -176.5132.1122.8-100.9149.5-170.2167.20117
508R28.6Very low32.1Very low245 Ų245140.8 Ų140.893%0.92578%0.777SS**  trans63.4155.2139.5-77-174.9170.8178.9-3.2123.2
509S33.7Very low32.2Very low97 Ų97137.4 Ų137.468%0.67878%0.776SS**  trans-132164.8170.657.50000111.5
510P44.2Very low32.5Very low120 Ų120142.3 Ų142.378%0.77979%0.787SS**  trans-111148.3148.535.9-27.2000110.3
511V29.8Very low32.7Very low123 Ų123145.2 Ų145.275%0.74579%0.793SS**  cis8990.715.1-170.50000116.5
512K30Very low32.8Very low203 Ų203147.4 Ų147.488%0.88380%0.8SS**  trans168.8148.9140.8-93.2162.4-177.4-179.30108.9
513S29.7Very low32.6Very low110 Ų110146.9 Ų146.977%0.76980%0.798SS**  cis-159.6148.9-6.740.80000110.8
514L42Very low32.5Very low167 Ų167147.8 Ų147.887%0.87480%0.799SS**  trans-86.1164.9171.6-79.6165000112.1
515P48.2Very low32.5Very low109 Ų109148.7 Ų148.771%0.70881%0.805SS**  -137144.5111.221.9-2.5000115.8
516F27.4Very low32.4Very low204 Ų204148.2 Ų148.290%0.89581%0.807SS**  trans39.1125.9149-69.6-84.8000123.1
517S35.8Very low32Very low110 Ų110147.8 Ų147.877%0.76981%0.806SS**  trans-74162.1147.9-410000110.7
518P36.4Very low32.1Very low123 Ų123146.1 Ų146.180%0.79980%0.8SS**  -149.4174.683.841.3-25000115.8
519S31.4Very low32.1Very low111 Ų111142.2 Ų142.278%0.77679%0.793SS**  trans-69.8141.9160.2-47.40000111.4
520Q35.8Very low31.8Very low174 Ų174142.2 Ų142.281%0.81379%0.793SS**  trans-165.3101.8144.1-112.6172.239.500112
521F30.6Very low30.9Very low214 Ų214142 Ų14294%0.93979%0.794SS**SBendtrans-123.5136.7145.5-98.4-77.6000107.7
522L32.2Very low30.7Very low157 Ų157139.2 Ų139.282%0.82279%0.79SS**  trans-63.5151.1-146.5-63.4164.4000116.7
523N25Very low30.8Very low139 Ų139137.5 Ų137.574%0.74379%0.79SS**  trans-92.3131.6160.9165.338.3000109.8
524T24.2Very low30.6Very low137 Ų137139 Ų13984%0.8479%0.789SS**  trans-153.1142.1151.843.40000110.9
525S28.2Very low29.9Very low110 Ų110134.8 Ų134.877%0.76978%0.779SS**  trans-129.3129.5-176.957.90000112.9
526S24.3Very low30Very low109 Ų109135.2 Ų135.276%0.76278%0.781SS**  trans-162.7139.2158.863.60000107.6
527N25.6Very low29.9Very low145 Ų145131.5 Ų131.578%0.77578%0.776SS**  51.5131.161-67.9-15.3000111.8
528H30.3Very low29.4Very low161 Ų161133.5 Ų133.575%0.74578%0.777SS**  cis-147.8165.7-1.4-143.4-122.6000104.9
529E28.9Very low29.5Very low163 Ų163132.6 Ų132.676%0.76277%0.771SS**  -165.2154.751.7-70.9-165.273.300111.5
530S27.6Very low29.3Very low98 Ų98132 Ų13269%0.68577%0.767SS**  trans35.5144.9130.2121.50000121.4
531S26.2Very low29Very low114 Ų114129.8 Ų129.880%0.79777%0.765SS**  cis-159.7161.61-68.40000107.9
532G25.3Very low30.3Very low65 Ų65124.8 Ų124.867%0.6775%0.754SS**  cis153.9148.3-2.300000110.4
533L31.3Very low30.2Very low167 Ų167124.2 Ų124.287%0.87475%0.751SS**  trans66.6159.4172.2-51.7175.9000115.4
534D26.8Very low30.5Very low141 Ų141124.6 Ų124.675%0.75475%0.752SS**  cis-150.7-178-4-134.9-33.3000111.8
535A26.5Very low30.9Very low79 Ų79121.1 Ų121.165%0.65374%0.744SS**  trans-125177.4162.400000109.8
536P49.9Very low31.2Very low118 Ų118124 Ų12477%0.76675%0.745SS**  cis-122.8-139.9-17.640.7-25.3000110.4
537T24.8Very low31.5Very low126 Ų126127.5 Ų127.577%0.77375%0.746SS**  trans113.8141.7146.8-30.90000118.7
538L26.6Very low31.9Very low152 Ų152128.5 Ų128.580%0.79675%0.75SS**  trans-66.8-169.9162.8-62.1166.2000111.7
539P37.6Very low31.9Very low104 Ų104126.4 Ų126.468%0.67575%0.749SS**  cis-130.2-164.5-44.529.8-9.2000111.7
540S26.8Very low32.2Very low98 Ų98124.4 Ų124.469%0.68575%0.75SS**  trans80.9119.3148.2-59.80000119.2
541T29.8Very low32.1Very low128 Ų128125 Ų12579%0.78575%0.753SS**  77.9163.283.52.60000114.3
542P59.3Low32.2Very low109 Ų109130 Ų13071%0.70875%0.754SS**  -123.6-157-117.743.6-25.4000112.8
543L29.5Very low32.2Very low145 Ų145132.8 Ų132.876%0.75975%0.754SS**  trans170.3130.8139.6-85.7156.5000107.7
544I31.4Very low32.2Very low148 Ų148133.3 Ų133.376%0.75975%0.752SS**  60.7132.181.5-62.3-170.2000112.9
545G32Very low32.2Very low64 Ų64133.4 Ų133.466%0.6676%0.758SS**  cis-154.9-149.84.400000111.1
546H35.3Very low32.6Very low171 Ų171136.3 Ų136.379%0.79277%0.767SS**  cis-154.4165.426.1-98.3-124.5000113.1
547K29.3Very low31.6Very low182 Ų182140 Ų14079%0.79177%0.771SS**  trans-27.6150.5171.9-52.4178.6-179.8-179.50117.4
548L34.6Very low31.8Very low165 Ų165140.4 Ų140.486%0.86477%0.774SS**  -158.7172.763.5-82.9166.8000114.5
549T30.1Very low31.8Very low118 Ų118141.8 Ų141.872%0.72478%0.776SS**  trans-126.4161.5-174.8-90000112.2
550P35.9Very low31.6Very low120 Ų120144.6 Ų144.678%0.77978%0.778SS**  -129.8142.78120.6-0.3000113.2
551C25.1Very low31.7Very low110 Ų110146.2 Ų146.274%0.74377%0.774SS**  60.4131.275.5-63.50000112.5
552R29.2Very low31.7Very low219 Ų219146.8 Ų146.883%0.82677%0.773SS**  cis-163.7155.932.8-177.7170.2174.5171.4-1.9109.7
553D25.3Very low30.4Very low125 Ų125146.5 Ų146.567%0.66877%0.773SS**  cis-123.8171.77-111.6-37.4000111.7
554Q30.8Very low30.7Very low178 Ų178146 Ų14683%0.83277%0.77SS**  trans-140.8159.1179.9-63.8-179.45.400113.1
555T26.7Very low30.6Very low143 Ų143149 Ų14988%0.87778%0.778SS**  trans-157.1126.7136.313.50000112.1
556V34.9Very low30.5Very low140 Ų140157.1 Ų157.185%0.84879%0.789SS**  trans-146.5138.3172.3176.40000110
557K29.9Very low30.2Very low195 Ų195155.2 Ų155.285%0.84879%0.789SS**  trans-171.5148.8166.4-112.4167.4-174.5178.40108
558T27.6Very low30.7Very low135 Ų135152.3 Ų152.383%0.82879%0.789SS**  cis-143.317914.9-45.70000111.3
559Q27.5Very low30.6Very low180 Ų180148.7 Ų148.784%0.84178%0.783SS**  trans-116.7165-174.2-177.2-1726.800111.9
560K33.7Very low30.7Very low163 Ų163150.3 Ų150.371%0.70979%0.785SS**  trans114.3142.3175.6-76.5-172.4158.2-1170112.3
561E27.7Very low30.6Very low132 Ų132153.9 Ų153.962%0.61779%0.788SS**  cis-156.4160.9-10-124.6157.7-173.200111.1
562N29.4Very low31Very low141 Ų141160.3 Ų160.375%0.75480%0.797SS**  trans20.4125.8165.2-55.8-22.9000121.5
563S32.1Very low31.1Very low102 Ų102155.4 Ų155.471%0.71380%0.797SS**  cis81133.240.6-170.60000114.5
564I36.9Very low32Very low134 Ų134157.1 Ų157.169%0.68780%0.804SS**  cis-177153.7-28.5-109153000106.4
565F28.6Very low32Very low212 Ų212155.7 Ų155.793%0.9380%0.801SS**  trans-152.8108.1137.3-112.2-70.8000110.8
566R30.6Very low32.3Very low235 Ų235155.9 Ų155.989%0.88779%0.792SS**  trans-146.2114.7177.9-163.7-179.2-165.4-136.35.3109.4
567T29.1Very low32.4Very low130 Ų130154.1 Ų154.180%0.79879%0.786SS**  trans-72.2143-174.5-45.20000111.3
568P39.8Very low32.3Very low122 Ų122150.4 Ų150.479%0.79279%0.785SS**  trans-81167.3-172.132.6-37.8000114.2
569A32.4Very low33.1Very low89 Ų89149.9 Ų149.974%0.73678%0.784SS**  trans-111158.6168.800000110.9
570I31.1Very low33.8Very low151 Ų151152.9 Ų152.977%0.77479%0.787SS**  trans154.2130.1142.3-82.8163.7000112.4
571K34.1Very low34.2Very low195 Ų195151.1 Ų151.185%0.84879%0.79SS**  trans56.7105.6160.3-69.4163.4-169.6178.30120.7
572R33.8Very low34.9Very low245 Ų245151 Ų15193%0.92580%0.801SS**  -125.3127.6127.4-67.5-178.2172.497.7-0.3105.5
573S30.9Very low36Very low117 Ų117149.2 Ų149.282%0.81880%0.795SS**  cis77.5108.646.7-158.90000112.6
574I43.7Very low36.7Very low160 Ų160149.2 Ų149.282%0.82179%0.793SS**  trans-57.6125.2-175.9-50.8158.1000111.7
575L32.4Very low37.2Very low149 Ų149150.7 Ų150.778%0.7880%0.795SS**  trans-178.3150.8132-131.367.4000113.4
576E32.1Very low38.5Very low147 Ų147148.9 Ų148.969%0.68779%0.786SS**  trans32.6107.8147.2-104.738.4-125.500123.5
577S36Very low39.8Very low102 Ų102144.9 Ų144.971%0.71378%0.777SS**  74.6138119.679.40000122.3
578S28.8Very low41.2Very low118 Ų118141.4 Ų141.483%0.82576%0.762SS**  trans-153.7152.1147.2-86.40000109.2
579P45.2Very low42.3Very low124 Ų124141.1 Ų141.181%0.80575%0.753SS**  trans-88145.4-13530.4-36.8000115.6
580R42.2Very low43.9Very low243 Ų243138.8 Ų138.892%0.91773%0.734SS**  trans-133.8152.6154.3-78.1-167.8167.796.8-0.8110.1
581T40.8Very low45.5Very low125 Ų125133.7 Ų133.777%0.76771%0.714SS**  trans-56.2141.4-172.345.50000113.5
582P43.4Very low47Very low130 Ų130129.7 Ų129.784%0.84470%0.699SS**  trans-71.7130.9-177.829.6-34.8000112.1
583T52.5Low48.7Very low103 Ų103123.5 Ų123.563%0.63268%0.68SS**  trans-111.9132.516443.70000109.4F585T583-F585 VanDerWaalsContact C-N 3.34Å; T583-F585 PolarHBondContact O-N 2.92Å
584P45.3Very low50.6Low102 Ų102124.9 Ų124.966%0.66268%0.677SS**THydrogen-bonded Turntrans-67-29.9-162.623.7-34.1000114.3K586 H587 A588P584-K586 VanDerWaalsContact C-N 3.29Å; P584-K586 PolarHBondContact O-N 3.43Å; P584-H587 PolarHBondContact O-N 3.38Å; P584-H587 VanDerWaalsContact O-N 3.12Å; P584-A588 PolarHBondContact O-N 3.32Å
585F49.1Very low51.7Low166 Ų166125.1 Ų125.173%0.72867%0.672SS**Hα-helixtrans-59.2-32.7-175.6-75.3-87000114.5T583 H587 A588 L589T583-F585 VanDerWaalsContact C-N 3.34Å; T583-F585 PolarHBondContact O-N 2.92Å; F585-H587 VanDerWaalsContact C-N 3.28Å; F585-H587 PolarHBondContact O-N 3.26Å; F585-A588 PolarHBondContact O-N 2.89Å; F585-L589 PolarHBondContact O-N 3.25Å
586K54.6Low53.2Low173 Ų173126.5 Ų126.575%0.75267%0.668SS**Hα-helixtrans-65.9-32.9179.4-168.2177.1-179-1750112.1P584 A590P584-K586 VanDerWaalsContact C-N 3.29Å; P584-K586 PolarHBondContact O-N 3.43Å; K586-A590 WeakPolarHBondContact O-CB 3.19Å; K586-A590 PolarHBondContact O-N 2.97Å
587H58Low55Low151 Ų151120.8 Ų120.870%0.69965%0.649SS**Hα-helixtrans-78.7-26.5179.6-154.2-49.7000112.4P584 F585 A591P584-H587 PolarHBondContact O-N 3.38Å; P584-H587 VanDerWaalsContact O-N 3.12Å; F585-H587 VanDerWaalsContact C-N 3.28Å; F585-H587 PolarHBondContact O-N 3.26Å; H587-A591 VanDerWaalsContact O-CB 3.28Å; H587-A591 WeakPolarHBondContact O-CB 3.32Å; H587-A591 PolarHBondContact O-N 3.34Å; H587-A591 VanDerWaalsContact O-N 3.08Å
588A59.7Low55.9Low58 Ų58121 Ų12148%0.47965%0.647SS.*Hα-helixtrans-68.4-50.6173.300000111.5P584 F585 A590 A591 Q592P584-A588 PolarHBondContact O-N 3.32Å; F585-A588 PolarHBondContact O-N 2.89Å; A588-A590 PolarHBondContact O-N 3.03Å; A588-A591 PolarHBondContact O-N 2.7Å; A588-Q592 PolarHBondContact O-N 3.43Å
589L62.6Low56.8Low115 Ų115122.4 Ų122.460%0.60265%0.645SS**Hα-helixtrans-60.8-44.2178-68.8171.8000112F585 A591 Q592 E593F585-L589 PolarHBondContact O-N 3.25Å; L589-A591 PolarHBondContact O-N 2.7Å; L589-Q592 WeakPolarHBondContact O-CB 3.34Å; L589-Q592 PolarHBondContact O-N 2.69Å; L589-E593 PolarHBondContact O-N 2.96Å
590A64.7Low56.9Low40 Ų40126 Ų12633%0.33165%0.648SS.*Hα-helixtrans-61.8-40.3175.400000112.6K586 A588 Q592 E593 I594K586-A590 WeakPolarHBondContact O-CB 3.19Å; K586-A590 PolarHBondContact O-N 2.97Å; A588-A590 PolarHBondContact O-N 3.03Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 2.9Å; A590-E593 PolarHBondContact O-N 2.93Å; A590-I594 WeakPolarHBondContact O-CB 3.48Å; A590-I594 WeakPolarHBondContact O-CD1 3.46Å; A590-I594 WeakPolarHBondContact O-CG1 3.44Å; A590-I594 PolarHBondContact O-N 2.88Å
591A66.1Low57.1Low44 Ų44122.6 Ų122.636%0.36465%0.645SS.*Hα-helixtrans-67.7-30.4176.100000112.9H587 A588 L589 K595H587-A591 VanDerWaalsContact O-CB 3.28Å; H587-A591 WeakPolarHBondContact O-CB 3.32Å; H587-A591 PolarHBondContact O-N 3.34Å; H587-A591 VanDerWaalsContact O-N 3.08Å; A588-A591 PolarHBondContact O-N 2.7Å; L589-A591 PolarHBondContact O-N 2.7Å; A591-K595 WeakPolarHBondContact O-CB 3.36Å; A591-K595 PolarHBondContact O-N 2.94Å; A591-K595 VanDerWaalsContact O-N 3.13Å
592Q66.1Low57.3Low111 Ų111123.6 Ų123.652%0.51964%0.644SS.*Hα-helixtrans-72.2-45.9175.6-163.4171.212.200111.1A588 L589 A590 I594 K595 Y596A588-Q592 PolarHBondContact O-N 3.43Å; L589-Q592 WeakPolarHBondContact O-CB 3.34Å; L589-Q592 PolarHBondContact O-N 2.69Å; A590-Q592 VanDerWaalsContact C-N 3.3Å; A590-Q592 PolarHBondContact O-N 2.9Å; Q592-I594 VanDerWaalsContact C-N 3.32Å; Q592-I594 PolarHBondContact O-N 2.88Å; Q592-K595 PolarHBondContact O-N 3.45Å; Q592-K595 VanDerWaalsContact O-N 3.16Å; Q592-Y596 HydrophobicContact CG-CD2 4.06Å; Q592-Y596 WeakPolarHBondContact O-CD2 3.26Å; Q592-Y596 PolarHBondContact O-N 3.23Å
593E68.3Low57.2Low115 Ų115122.8 Ų122.854%0.53764%0.639SS.*Hα-helixtrans-62.5-36.9174.6-171.4171.5-151.100112.2L589 A590 G597L589-E593 PolarHBondContact O-N 2.96Å; A590-E593 PolarHBondContact O-N 2.93Å; E593-G597 CarbonylContact O-C 3.59Å; E593-G597 WeakPolarHBondContact O-CA 3.49Å; E593-G597 PolarHBondContact O-N 3.43Å
594I71.1Confident56.6Low147 Ų147125 Ų12575%0.75464%0.642SS**Hα-helixtrans-68.6-32.9174.2-70.3165000112.4A590 Q592A590-I594 WeakPolarHBondContact O-CB 3.48Å; A590-I594 WeakPolarHBondContact O-CD1 3.46Å; A590-I594 WeakPolarHBondContact O-CG1 3.44Å; A590-I594 PolarHBondContact O-N 2.88Å; Q592-I594 VanDerWaalsContact C-N 3.32Å; Q592-I594 PolarHBondContact O-N 2.88Å
595K66.3Low56.8Low165 Ų165124.7 Ų124.772%0.71764%0.639SS**Hα-helixtrans-82.7-34.5179.5-90.4-167.1169.1-170.60114.6A591 Q592A591-K595 WeakPolarHBondContact O-CB 3.36Å; A591-K595 PolarHBondContact O-N 2.94Å; A591-K595 VanDerWaalsContact O-N 3.13Å; Q592-K595 PolarHBondContact O-N 3.45Å; Q592-K595 VanDerWaalsContact O-N 3.16Å
596Y65.3Low56.9Low177 Ų177122.2 Ų122.269%0.69464%0.64SS**Hα-helixtrans-120.6-4.6-169.1-59.6-77.2000113.9Q592Q592-Y596 HydrophobicContact CG-CD2 4.06Å; Q592-Y596 WeakPolarHBondContact O-CD2 3.26Å; Q592-Y596 PolarHBondContact O-N 3.23Å
597G68.6Low56.8Low27 Ų27117.3 Ų117.328%0.27863%0.627SS.*  trans80.9175-178.800000113.8E593 L599E593-G597 CarbonylContact O-C 3.59Å; E593-G597 WeakPolarHBondContact O-CA 3.49Å; E593-G597 PolarHBondContact O-N 3.43Å; G597-L599 PolarHBondContact O-N 2.92Å
598P56.3Low56.4Low106 Ų106114.6 Ų114.669%0.68862%0.615SS**SBendtrans-66.8123.2178.9-2033.4000111.3K600P598-K600 PolarHBondContact O-N 3.16Å
599L48Very low56.4Low148 Ų148114.2 Ų114.278%0.77561%0.611SS**  trans-66.7104.1-176.1-69.2172.6000111.8G597 M601G597-L599 PolarHBondContact O-N 2.92Å; L599-M601 PolarHBondContact O-N 3.16Å
600K45.7Very low56.5Low201 Ų201112.5 Ų112.587%0.87461%0.605SS**  trans-73.7100.1164.1-83.2-172172.9-177.60109.8P598 L602P598-K600 PolarHBondContact O-N 3.16Å; K600-L602 VanDerWaalsContact C-N 3.32Å; K600-L602 PolarHBondContact O-N 2.94Å
601M46.8Very low56.7Low171 Ų171116.2 Ų116.284%0.84262%0.616SS**  trans-69.789.7164.4-67-55.3-59.200109.9L599L599-M601 PolarHBondContact O-N 3.16Å
602L44.8Very low56.6Low145 Ų145118.3 Ų118.376%0.75962%0.621SS**PPolyproline II helixtrans-85.2136.4162.9-166.573.5000107.8K600 Q604K600-L602 VanDerWaalsContact C-N 3.32Å; K600-L602 PolarHBondContact O-N 2.94Å; L602-Q604 PolarHBondContact O-N 3.43Å; L602-Q604 VanDerWaalsContact O-N 3.17Å
603P41.6Very low56.7Low114 Ų114118.4 Ų118.474%0.7462%0.624SS**PPolyproline II helixtrans-64.8118.117726-33.6000110.2
604Q39.4Very low56.7Low149 Ų149118.9 Ų118.970%0.69663%0.627SS**PPolyproline II helixtrans-69.8135.9171-71.9177.1-34.300109.7L602L602-Q604 PolarHBondContact O-N 3.43Å; L602-Q604 VanDerWaalsContact O-N 3.17Å
605T49.9Very low56.5Low95 Ų95116.3 Ų116.358%0.58361%0.614SS**PPolyproline II helixtrans-74147.8172.745.60000110.8S607 H608T605-S607 PolarHBondContact O-N 2.86Å; T605-H608 PolarHBondContact O-N 3.32Å
606P52.2Low56.4Low115 Ų115111.9 Ų111.975%0.74760%0.601SS**Hα-helixtrans-59.3-19-166.7-27.936000116.9
607S51.5Low56.5Low70 Ų70108.4 Ų108.449%0.4959%0.593SS.*Hα-helixtrans-62.2-44.4179.6460000113.7T605 A609 V610 E611T605-S607 PolarHBondContact O-N 2.86Å; S607-A609 VanDerWaalsContact C-N 3.29Å; S607-A609 PolarHBondContact O-N 3.4Å; S607-V610 WeakPolarHBondContact O-CB 3.46Å; S607-V610 PolarHBondContact O-N 2.84Å; S607-V610 VanDerWaalsContact O-N 3.07Å; S607-E611 PolarHBondContact O-N 2.99Å
608H50.6Low56.3Low94 Ų94113.4 Ų113.444%0.43561%0.607SS.*Hα-helixtrans-68.6-28.7-170.3-155-46.8000112.8T605 V610 E611 D612T605-H608 PolarHBondContact O-N 3.32Å; H608-V610 VanDerWaalsContact C-N 3.31Å; H608-E611 PolarHBondContact O-N 3.43Å; H608-D612 IonicContact CE1-OD1 2.66Å; H608-D612 PolarHBondContact CE1-OD1 3.44Å; H608-D612 IonicContact ND1-OD1 3.49Å; H608-D612 PolarHBondContact ND1-OD1 3.05Å; H608-D612 PolarHBondContact O-N 2.92Å; H608-D612 VanDerWaalsContact O-N 3.09Å
609A58.1Low56.1Low49 Ų49115.1 Ų115.141%0.40561%0.606SS.*Hα-helixtrans-72.8-24176.200000112.9S607 L613S607-A609 VanDerWaalsContact C-N 3.29Å; S607-A609 PolarHBondContact O-N 3.4Å; A609-L613 WeakPolarHBondContact O-CB 3.47Å; A609-L613 WeakPolarHBondContact O-CD1 3.43Å; A609-L613 VanDerWaalsContact O-CG 3.24Å; A609-L613 WeakPolarHBondContact O-CG 3.43Å; A609-L613 PolarHBondContact O-N 2.8Å
610V65.9Low56.4Low79 Ų79114.6 Ų114.648%0.47960%0.6SS.*Hα-helixtrans-78-33.4175.5177.30000110.8S607 H608 Q614S607-V610 WeakPolarHBondContact O-CB 3.46Å; S607-V610 PolarHBondContact O-N 2.84Å; S607-V610 VanDerWaalsContact O-N 3.07Å; H608-V610 VanDerWaalsContact C-N 3.31Å; V610-Q614 WeakPolarHBondContact O-CG 3.5Å; V610-Q614 PolarHBondContact O-N 3.49Å; V610-Q614 VanDerWaalsContact O-N 3.11Å
611E68.2Low56.6Low119 Ų119109.1 Ų109.156%0.55659%0.587SS**Hα-helixtrans-70.5-49.3175.5-67.3170.7140.800110.6S607 H608 L613 Q614 D615S607-E611 PolarHBondContact O-N 2.99Å; H608-E611 PolarHBondContact O-N 3.43Å; E611-L613 VanDerWaalsContact C-N 3.32Å; E611-L613 PolarHBondContact O-N 3Å; E611-Q614 PolarHBondContact O-N 2.8Å; E611-Q614 VanDerWaalsContact O-N 3.11Å; E611-D615 PolarHBondContact O-N 2.78Å
612D64.7Low56.6Low87 Ų87107.8 Ų107.847%0.46558%0.583SS.*Hα-helixtrans-55.1-43.4173.8-76.526.5000112.3H608 D615 V616H608-D612 IonicContact CE1-OD1 2.66Å; H608-D612 PolarHBondContact CE1-OD1 3.44Å; H608-D612 IonicContact ND1-OD1 3.49Å; H608-D612 PolarHBondContact ND1-OD1 3.05Å; H608-D612 PolarHBondContact O-N 2.92Å; H608-D612 VanDerWaalsContact O-N 3.09Å; D612-D615 PolarHBondContact O-N 3.37Å; D612-V616 WeakPolarHBondContact O-CG2 3.39Å; D612-V616 PolarHBondContact O-N 2.59Å
613L67.4Low56.7Low114 Ų114109.4 Ų109.460%0.59759%0.587SS**Hα-helixtrans-67.8-34.5177.9-77.6171.7000113.1A609 E611 I617A609-L613 WeakPolarHBondContact O-CB 3.47Å; A609-L613 WeakPolarHBondContact O-CD1 3.43Å; A609-L613 VanDerWaalsContact O-CG 3.24Å; A609-L613 WeakPolarHBondContact O-CG 3.43Å; A609-L613 PolarHBondContact O-N 2.8Å; E611-L613 VanDerWaalsContact C-N 3.32Å; E611-L613 PolarHBondContact O-N 3Å; L613-I617 WeakPolarHBondContact O-CD1 3.4Å; L613-I617 VanDerWaalsContact O-CG1 3.29Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.99Å; L613-I617 VanDerWaalsContact O-N 3.17Å
614Q67.6Low56.5Low125 Ų125109.5 Ų109.558%0.58459%0.59SS**Hα-helixtrans-69.4-40.9175.1-77.5-179.942.300111.6V610 E611 I617 K618V610-Q614 WeakPolarHBondContact O-CG 3.5Å; V610-Q614 PolarHBondContact O-N 3.49Å; V610-Q614 VanDerWaalsContact O-N 3.11Å; E611-Q614 PolarHBondContact O-N 2.8Å; E611-Q614 VanDerWaalsContact O-N 3.11Å; Q614-I617 PolarHBondContact O-N 3.01Å; Q614-K618 WeakPolarHBondContact O-CB 3.44Å; Q614-K618 PolarHBondContact O-N 3.47Å
615D67.1Low56.2Low93 Ų93105 Ų10550%0.49758%0.584SS.*Hα-helixtrans-69.6-32.6178.1-85.8-14000112.7E611 D612 K618 Q619E611-D615 PolarHBondContact O-N 2.78Å; D612-D615 PolarHBondContact O-N 3.37Å; D615-K618 PolarHBondContact O-N 2.99Å; D615-Q619 WeakPolarHBondContact O-CG 3.45Å; D615-Q619 PolarHBondContact O-N 2.94Å
616V65.4Low55.4Low71 Ų71108.6 Ų108.643%0.4360%0.598SS.*Hα-helixtrans-63.8-51.5170.6169.80000111.5D612 K618 Q619 E620D612-V616 WeakPolarHBondContact O-CG2 3.39Å; D612-V616 PolarHBondContact O-N 2.59Å; V616-K618 PolarHBondContact O-N 3.4Å; V616-Q619 PolarHBondContact O-N 3.46Å; V616-Q619 VanDerWaalsContact O-N 3.14Å; V616-E620 PolarHBondContact O-N 3.32Å
617I66.4Low54.4Low105 Ų105109.4 Ų109.454%0.53860%0.6SS.*Hα-helixtrans-59.1-32.9178.9-69.9167.1000111.2L613 Q614 S621L613-I617 WeakPolarHBondContact O-CD1 3.4Å; L613-I617 VanDerWaalsContact O-CG1 3.29Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.99Å; L613-I617 VanDerWaalsContact O-N 3.17Å; Q614-I617 PolarHBondContact O-N 3.01Å; I617-S621 WeakPolarHBondContact O-CB 3.5Å; I617-S621 PolarHBondContact O-N 3Å; I617-S621 VanDerWaalsContact O-N 3.13Å; I617-S621 PolarHBondContact O-OG 3.29Å
618K65.6Low53.5Low132 Ų132110 Ų11057%0.57461%0.61SS**Hα-helixtrans-74.8-38.7178.3-162.6174.4-177.2-175.80112.6Q614 D615 V616 S621 D622Q614-K618 WeakPolarHBondContact O-CB 3.44Å; Q614-K618 PolarHBondContact O-N 3.47Å; D615-K618 PolarHBondContact O-N 2.99Å; V616-K618 PolarHBondContact O-N 3.4Å; K618-S621 WeakPolarHBondContact O-CB 3.47Å; K618-S621 PolarHBondContact O-N 3.42Å; K618-D622 PolarHBondContact O-N 2.93Å
619Q52Low52.4Low141 Ų141113.3 Ų113.366%0.65963%0.625SS**Hα-helixtrans-64.2-44.3171.3-74.91789.100111.8D615 V616 S621 D622 E623D615-Q619 WeakPolarHBondContact O-CG 3.45Å; D615-Q619 PolarHBondContact O-N 2.94Å; V616-Q619 PolarHBondContact O-N 3.46Å; V616-Q619 VanDerWaalsContact O-N 3.14Å; Q619-S621 PolarHBondContact O-N 3.33Å; Q619-D622 PolarHBondContact O-N 3.29Å; Q619-E623 PolarHBondContact O-N 3.2Å
620E53.2Low51Low137 Ų137119.2 Ų119.264%0.6464%0.642SS**Hα-helixtrans-63.8-26.7176.4-68.9-175.5165.300112.9V616V616-E620 PolarHBondContact O-N 3.32Å
621S49.8Very low49.3Very low87 Ų87123.2 Ų123.261%0.60866%0.656SS**Hα-helixtrans-73.4-29.6176.4-61.80000113.8I617 K618 Q619I617-S621 WeakPolarHBondContact O-CB 3.5Å; I617-S621 PolarHBondContact O-N 3Å; I617-S621 VanDerWaalsContact O-N 3.13Å; I617-S621 PolarHBondContact O-OG 3.29Å; K618-S621 WeakPolarHBondContact O-CB 3.47Å; K618-S621 PolarHBondContact O-N 3.42Å; Q619-S621 PolarHBondContact O-N 3.33Å
622D46.5Very low47.4Very low142 Ų142126.2 Ų126.276%0.75967%0.669SS**Hα-helixtrans-95.8-17.1-174.2-77.4-27.7000113.9K618 Q619K618-D622 PolarHBondContact O-N 2.93Å; Q619-D622 PolarHBondContact O-N 3.29Å
623E46.9Very low45.7Very low180 Ų180127.4 Ų127.484%0.84169%0.685SS**SBendtrans-96.70.6-178.3-144.7-176.4135.500115.1Q619 G625Q619-E623 PolarHBondContact O-N 3.2Å; E623-G625 PolarHBondContact O-N 3.42Å
624S37.9Very low43.9Very low115 Ų115125.3 Ų125.380%0.80469%0.69SS**  trans-10156.2-179.8-70.30000113.9
625G33.8Very low42.7Very low55 Ų55125 Ų12557%0.56770%0.699SS**  trans-129.2142.8176.300000113.6E623E623-G625 PolarHBondContact O-N 3.42Å
626I32.6Very low41.1Very low170 Ų170126.5 Ų126.587%0.87271%0.714SS**  trans63116.9177-17.7174.4000112.3
627V31.3Very low39.6Very low133 Ų133131.1 Ų131.181%0.80674%0.736SS**  -152.5146.655.3163.80000110.7
628A33Very low38Very low83 Ų83133.3 Ų133.369%0.68675%0.748SS**  trans-76151.7173.500000111.9
629E27.2Very low36.5Very low163 Ų163135.5 Ų135.576%0.76276%0.757SS**  -173.1170.386-90.8179171.900109.6
630F28.3Very low35.5Very low173 Ų173137 Ų13776%0.75976%0.761SS**  cis-133.4-113.38-143.9-66.5000111.4
631Q29.3Very low34.5Very low163 Ų163137.2 Ų137.276%0.76277%0.765SS**  trans-161.7135.3-167.3179.1179.86.500112
632E29.8Very low33.6Very low181 Ų181140.9 Ų140.985%0.84677%0.77SS**  -167.7166.2122.5-118-174.9151.800114.3
633S27.7Very low32.7Very low113 Ų113140.5 Ų140.579%0.7976%0.764SS**  trans-51.9160-171.355.60000117.3
634G30Very low31.8Very low69 Ų69140.5 Ų140.571%0.71176%0.764SS**  cis-176179.78.500000112.5
635P41.8Very low31.6Very low119 Ų119140.6 Ų140.677%0.77376%0.76SS**  trans-107156.4-149.638.5-36.4000117.8
636P35.4Very low31.3Very low125 Ų125146.8 Ų146.881%0.81277%0.774SS**  trans-87.3150.4154.835.4-31.5000111.9
637L32.2Very low31.2Very low168 Ų168143.4 Ų143.488%0.8877%0.765SS**  trans-102.1127.7-178.6-93.6165.6000113.3
638L34Very low32.3Very low151 Ų151142 Ų14279%0.79176%0.759SS**  trans-83.4174.6166.4-76.5169.8000112.1
639K33.3Very low32.2Very low178 Ų178143.7 Ų143.777%0.77476%0.761SS**  trans99.1139.6161-56.1156.9-173.21710113.8
640K31.8Very low32.4Very low172 Ų172142.8 Ų142.875%0.74876%0.757SS**  cis-172.6178.7-2.9-124-178.8176.5-170.20112.1
641I32.2Very low32.6Very low141 Ų141142 Ų14272%0.72375%0.753SS**  trans88.4120.9141-82.7158.3000120.3
642K29.6Very low32.6Very low164 Ų164140.2 Ų140.271%0.71376%0.758SS**  trans46.5140.9141.7-66.7-160.9162.7-144.10122.1
643Q29.5Very low32.5Very low135 Ų135134.8 Ų134.863%0.63175%0.751SS**  cis92.495.533.2-174.6-151.36.200114.3
644E27.8Very low32.6Very low179 Ų179136.6 Ų136.684%0.83675%0.752SS**  trans-178.2140.4148.5-98.1151.2-153.600105.4
645V32.8Very low32.3Very low118 Ų118141.2 Ų141.272%0.71575%0.753SS**  cis106.8128.923.4171.40000112.9
646E27Very low31.5Very low184 Ų184143.8 Ų143.886%0.8675%0.752SS**  trans79.4162.5169.8-138.292.1-120.100120.1
647S31.9Very low31.1Very low99 Ų99143 Ų14369%0.69275%0.748SS**  trans-152.4-166.3-179.468.20000107.7
648P54.5Low30.8Very low105 Ų105140.4 Ų140.468%0.68274%0.744SS**  cis-133.4-154.2-13.435.9-14000112.8
649T29.3Very low30.8Very low117 Ų117140.5 Ų140.572%0.71875%0.746SS**  trans118.3132.7148.665.60000121.7
650E31.3Very low30.7Very low144 Ų144139.8 Ų139.867%0.67375%0.745SS**  trans59.5153.6145-70.9-169.4120.100121.4
651K33.7Very low30.5Very low156 Ų156143 Ų14368%0.67875%0.752SS**  cis-166.9153.223-129148.4-171.7142.50111.8
652S28.4Very low30.5Very low126 Ų126139.8 Ų139.888%0.88175%0.747SS**  trans56.9152.9157.757.80000121.3
653G27.4Very low30.4Very low67 Ų67139.2 Ų139.269%0.69175%0.747SS**  cis165.5154-10.900000115.2
654N29.9Very low30.5Very low152 Ų152138.7 Ų138.781%0.81375%0.749SS**  trans73.6127.9157-742.2000124.6
655F24.9Very low30.5Very low166 Ų166135.1 Ų135.173%0.72874%0.743SS**  trans96123.7132-91.3-124.3000124.2
656F25.4Very low30.3Very low173 Ų173137.7 Ų137.776%0.75975%0.752SS**  trans58.998.2142.3-91-107.3000123.4
657C27.1Very low30.2Very low108 Ų108134 Ų13473%0.7375%0.746SS**  55.6134.3104.7-151.40000122.7
658S25.8Very low30Very low114 Ų114135.1 Ų135.180%0.79775%0.75SS**  trans96.1152.2143-126.30000120.6
659N33.9Very low28.9Very low153 Ų153138.1 Ų138.182%0.81875%0.754SS**  trans-97170.2-177.2-68.3-51.2000112.1
660H30.9Very low28.8Very low163 Ų163139.5 Ų139.576%0.75576%0.757SS**  trans77.8115.9149.1-151.8-75.7000117.8
661W27.7Very low28.8Very low238 Ų238141.8 Ų141.890%0.90276%0.764SS**  trans-137.9144.1156.4-86.896.6000109.6
662A32.2Very low28.6Very low75 Ų75138.2 Ų138.262%0.6276%0.759SS**  trans-145.6128.2167.300000107.4
663E27.4Very low28.8Very low152 Ų152140.7 Ų140.771%0.7176%0.757SS**  trans-161.7134162.8-110.4-160.3106.300113.7
664N30.1Very low28.9Very low124 Ų124141.9 Ų141.966%0.66376%0.76SS**  49.9100.9129.4-64.4-15.2000122.7
665S28.3Very low28.9Very low104 Ų104140 Ų14073%0.72776%0.759SS**  55.8136.4118.769.70000123.2
666L29.3Very low30.4Very low172 Ų172137.3 Ų137.390%0.90176%0.758SS**  -174163.2119.4-103.2167.4000114.7
667S25.3Very low31Very low105 Ų105136 Ų13673%0.73476%0.764SS**  trans81.667.3158.8-158.40000122.8
668T26.9Very low31.5Very low124 Ų124134.6 Ų134.676%0.76176%0.76SS**  17.8151.2124.9-28.30000123.9
669Q31.6Very low31.9Very low168 Ų168136.7 Ų136.779%0.78576%0.763SS**  trans93139.4164.6-53.7-166.12100116.1
670L27Very low32Very low146 Ų146133.1 Ų133.176%0.76475%0.754SS**  cis-143.2-18019-124.9140.5000113.9
671F31.1Very low33.2Very low191 Ų191130.2 Ų130.284%0.83875%0.75SS**  trans-73.7177.9-170.2-78.9-98.1000116.1
672S30.3Very low33.7Very low82 Ų82125.7 Ų125.757%0.57374%0.743SS**  cis-165.815722.6-145.10000116.3
673Q32.8Very low33.9Very low178 Ų178128.4 Ų128.483%0.83275%0.746SS**  trans66.3152.7146-82.4178.78900122.2
674A29.4Very low34Very low91 Ų91128.3 Ų128.375%0.75275%0.75SS**  cis-158.3165.2-6.500000113
675S29.6Very low33.9Very low114 Ų114127.7 Ų127.780%0.79775%0.751SS**  trans-162.8151.9167.7-174.50000111.4
676P56.4Low34Very low108 Ų108127.8 Ų127.870%0.70175%0.751SS**  trans-110.5126.4172.935.3-24.2000113.8
677V37.4Very low34.1Very low145 Ų145124.7 Ų124.788%0.87974%0.744SS**  70.9130.495.1170.90000113.1
678A38.4Very low34.3Very low79 Ų79126.1 Ų126.165%0.65375%0.748SS**  cis-131.7-155.914.600000111.5
679D33.8Very low34.4Very low159 Ų159127.1 Ų127.185%0.8575%0.748SS**  cis-153.8-149.74.7-152.2-91.5000111.8
680A35.4Very low34.5Very low78 Ų78127.2 Ų127.265%0.64575%0.75SS**  trans-136.7-169.3-171.900000112.5
681P56.8Low34.9Very low101 Ų101125.7 Ų125.766%0.65675%0.747SS**  cis-137.6163.9-8.541.6-24.5000117.6
682N38.3Very low35.8Very low143 Ų143122.2 Ų122.277%0.76574%0.744SS**  trans67.6152.1147.7-65-13000119.8
683I35.3Very low35.7Very low133 Ų133124 Ų12468%0.68275%0.751SS**  cis-164.1151-3.627-175.3000112.9
684L30.7Very low35.9Very low150 Ų150119.7 Ų119.779%0.78574%0.74SS**  trans67.3162151.6-64.1165.6000119.7
685T28.5Very low36Very low111 Ų111122.5 Ų122.568%0.68174%0.738SS**  cis-170.9155.8-35.9-980000113
686S30.2Very low36.4Very low106 Ų106124.1 Ų124.174%0.74174%0.738SS**  trans62.3138.8155.967.70000124.4
687S30.8Very low35.4Very low107 Ų107126.7 Ų126.775%0.74874%0.74SS**  trans-51.4162.7149.1-25.50000114.7
688V30Very low35.4Very low135 Ų135125.9 Ų125.982%0.81873%0.731SS**  176.4152.4124.6147.80000112.3
689L29.4Very low35.2Very low145 Ų145127.5 Ų127.576%0.75973%0.729SS**  trans-26146.6169.5-53.8163.6000118.4
690M32.3Very low35.3Very low170 Ų170126 Ų12684%0.83773%0.725SS**  -171.6154.6105-100.3-56.4175.700114.7
691T36.5Very low35.3Very low113 Ų113128 Ų12869%0.69372%0.724SS**  trans-97.4160.8163.9460000110.8
692P48.6Very low34.2Very low118 Ų118132.1 Ų132.177%0.76673%0.732SS**  -122.3157.8103.20.522000111.6
693V29.4Very low33.8Very low120 Ų120128.9 Ų128.973%0.72773%0.725SS**  64.8121.358.4179.50000110.3
694S35.9Very low33.5Very low87 Ų87131.5 Ų131.561%0.60873%0.732SS**  cis-128.6158.824.1-77.70000112.8
695E31.6Very low33.5Very low151 Ų151130 Ų13071%0.70673%0.729SS**  52.113583.7-42.5134.4-98.600113.3
696D37.8Very low33.8Very low148 Ų148130.9 Ų130.979%0.79173%0.734SS**  cis-109.5156.79.1-53-68.7000111.7
697E36.2Very low34.7Very low162 Ų162131 Ų13176%0.75773%0.732SS**  46.714064.4-55.2-60.68500113.9
698D37.9Very low34.8Very low128 Ų128134.4 Ų134.468%0.68473%0.734SS**  cis-154.5153.235.4-148.8-18000113.5
699N33.4Very low34.8Very low113 Ų113135.1 Ų135.160%0.60473%0.732SS**  trans19.5152.1152.8-89.7-72.4000124.1
700V36.3Very low35.2Very low128 Ų128139.2 Ų139.278%0.77674%0.738SS**  cis-137.4134.519.8-176.20000114.1
701L35.5Very low35.6Very low118 Ų118136.9 Ų136.962%0.61874%0.735SS**  trans-18.3139156.2-58.4165.4000121.8
702K32.5Very low35.5Very low189 Ų189138.8 Ų138.882%0.82274%0.74SS**  63.2166.4127.7-68.1177.6179.7170.90120.6
703A31.8Very low34.7Very low75 Ų75139.8 Ų139.862%0.6274%0.744SS**  cis-172.9146.3-33.400000111.4
704F28.7Very low34.8Very low188 Ų188136.9 Ų136.983%0.82574%0.739SS**  trans66.9136.4149.5-85.7-123.4000122.5
705T29.8Very low35.3Very low117 Ų117139.4 Ų139.472%0.71875%0.753SS**  trans57.7120.714852.40000120.2
706V34.9Very low35.3Very low131 Ų131139.8 Ų139.879%0.79476%0.759SS**  cis65.6132.947.7-176.30000112.3
707P49.3Very low35.3Very low108 Ų108140.9 Ų140.970%0.70176%0.76SS**  cis-135.5-176.20.933.7-11.7000117.5
708K33Very low35.9Very low179 Ų179138.1 Ų138.178%0.77876%0.755SS**  105.1145.9127.9-121.1-175.4177.9176.60122.4
709N30.8Very low35.3Very low149 Ų149138.3 Ų138.380%0.79777%0.765SS**  trans87.9154.4156.2-63.7-21.1000120.7
710R36.4Very low35.4Very low232 Ų232138.8 Ų138.888%0.87578%0.777SS**  trans-144.2139.2-164.8-175.7-168.1-161.2-179.77.8109.2
711P40.8Very low35Very low120 Ų120136.5 Ų136.578%0.77978%0.78SS**  -128.5146.4127.58.113.6000110
712L34.7Very low34.8Very low153 Ų153135.4 Ų135.480%0.80179%0.788SS**  cis86.3139.949.7-161.874.3000113
713V31.1Very low34.8Very low139 Ų139138.6 Ų138.684%0.84280%0.795SS**  trans84.1137.9176.7-169.20000116.1
714G32Very low34.8Very low60 Ų60143.5 Ų143.562%0.61981%0.805SS**  trans-146.4-172165.200000109.4
715P46.8Very low36Very low139 Ų139139.3 Ų139.390%0.90380%0.797SS**  trans-138.6-174.2148.233.9-16.7000114.2
716L31.8Very low36Very low160 Ų160138 Ų13884%0.83880%0.798SS**  trans-114.9145.9-159.1-67.5157.6000114.6
717Q38.2Very low35.6Very low171 Ų171137.3 Ų137.380%0.79980%0.798SS**  trans59.1175.4143.9-80.3-85.2-5100118.4
718P47.8Very low34.9Very low103 Ų103138.4 Ų138.467%0.66981%0.807SS**  cis-119.6172.8-17.839.6-27.7000113.2
719C26.8Very low34.8Very low132 Ų132133.4 Ų133.489%0.89281%0.807SS**  trans-168.7154135.6-124.30000112.6
720S33.7Very low35.1Very low123 Ų123136 Ų13686%0.8681%0.811SS**  trans-126.8147.8178.856.40000111.4
721G29.5Very low35.3Very low81 Ų81131.3 Ų131.384%0.83581%0.809SS**  trans-171.8121.7175.100000111.1
722A31.5Very low35.2Very low94 Ų94132 Ų13278%0.77780%0.801SS**  trans-117.2141.8-177.100000111
723W31.6Very low35.3Very low257 Ų257131.5 Ų131.597%0.97380%0.8SS**  trans-138.3141161.4-81.984.3000108.8
724E31.6Very low35.7Very low177 Ų177130.9 Ų130.983%0.82779%0.787SS**  trans-117.6-164.1-179.1-142.5-148.4164.500109.2
725P53.6Low36Very low101 Ų101135.2 Ų135.266%0.65679%0.793SS**  -127-163.1-116.743.4-25.8000115
726A29.3Very low35.4Very low89 Ų89134.3 Ų134.374%0.73679%0.786SS**  trans105.1164147.100000119.3
727S28.3Very low35.6Very low116 Ų116130.7 Ų130.781%0.81178%0.779SS**  trans73.6143173.3-71.30000118
728C32.7Very low35.5Very low131 Ų131128 Ų12889%0.88578%0.779SS**  cis-165.3161.5-23.8-128.90000110.5
729G31.6Very low35Very low75 Ų75126 Ų12677%0.77378%0.777SS**  trans159.2107.3170.600000114.1
730K36.7Very low35.7Very low203 Ų203126 Ų12688%0.88378%0.775SS**  trans-134.6147.9172.9-75.2-177.7174.8-1780109.7
731T42Very low35.4Very low134 Ų134124.8 Ų124.882%0.82277%0.773SS**  trans-166.5167142.634.50000108.9
732E38.2Very low35.6Very low135 Ų135132.8 Ų132.863%0.63178%0.778SS**  cis-167.3138.6-46.1-176.3159.8134.600109.3Q734E732-Q734 HydrophobicContact CG-CG 4.27Å; E732-Q734 PolarHBondContact OE1-NE2 3.47Å
733D36.6Very low35.8Very low142 Ų142137.4 Ų137.476%0.75978%0.78SS**  trans168.9109.2139.8-92.1-26.7000107.7
734Q39Very low35.9Very low126 Ų126135.4 Ų135.459%0.58977%0.774SS**  70.8131.871.5-68.4-157.751.100113E732E732-Q734 HydrophobicContact CG-CG 4.27Å; E732-Q734 PolarHBondContact OE1-NE2 3.47Å
735M37.9Very low36.1Very low150 Ų150132.3 Ų132.374%0.73977%0.767SS**  cis-153-179.9-7-105.3-136.5-154.400107.7
736T35.4Very low35Very low121 Ų121134.3 Ų134.374%0.74277%0.772SS**  cis-117-165.413.152.90000110.6
737A35.3Very low35.1Very low84 Ų84134.2 Ų134.269%0.69477%0.771SS**  cis72.4146.817.500000117.3
738S36.2Very low35.4Very low114 Ų114139.1 Ų139.180%0.79778%0.778SS**  cis-131.5160.65.170.30000115.2
739G36.9Very low35.3Very low62 Ų62138.2 Ų138.264%0.63977%0.774SS**  trans-86.5-138.2157.900000111.1
740P41.8Very low35.5Very low130 Ų130138.7 Ų138.784%0.84477%0.771SS**  cis-140.5170.112.942.8-25.8000117
741A27.9Very low35.5Very low99 Ų99139.9 Ų139.982%0.81877%0.769SS**  175.6116.112900000113.2
742R34.1Very low35.1Very low249 Ų249139 Ų13994%0.9476%0.764SS**  trans-137138.6156.5-91-172.3173.8-176.3-0.7108.3
743K35Very low34.9Very low191 Ų191140 Ų14083%0.8377%0.773SS**  trans-147.4124.3171.6-80.4-165.4177.2-178.30110.5
744Y34.8Very low34.7Very low214 Ų214139.1 Ų139.184%0.83977%0.773SS**  trans41.7140.9140.9-61.1-83.5000121
745V34.8Very low34.5Very low112 Ų112145.2 Ų145.268%0.67980%0.804SS**  cis-165.7172.1-14.791.80000110.1
746N31.2Very low34.3Very low143 Ų143145 Ų14577%0.76581%0.807SS**  trans-0.6141165.6-49.5-18.1000120.9
747A32Very low34.2Very low87 Ų87146.2 Ų146.272%0.71981%0.811SS**  165.7122.599.700000115.5
748F34.1Very low34.2Very low219 Ų219149.7 Ų149.796%0.96182%0.817SS**  trans59.1166.6151.5-79.7-83.1000122.5
749S30.9Very low34.1Very low112 Ų112151.8 Ų151.878%0.78382%0.818SS**  trans-142138.3-171.2165.20000109.4
750A34.8Very low33.9Very low86 Ų86157.4 Ų157.471%0.71183%0.83SS**  trans177.5154.3136.600000114.1
751R36Very low33.4Very low227 Ų227159.2 Ų159.286%0.85783%0.829SS**  trans68.299.1141.1-85179.9173162.9-1.1122.7
752T34.4Very low33.8Very low117 Ų117163.5 Ų163.572%0.71883%0.829SS**  69.1137.8118.842.10000124.3
753L34.7Very low33.7Very low154 Ų154156.9 Ų156.981%0.80682%0.821SS**  trans84.8132.8137.7-85166000121
754V30.7Very low33.6Very low125 Ų125154.1 Ų154.176%0.75882%0.82SS**  trans67.4136.9163.7-176.50000113.9
755M35.1Very low33.5Very low253 Ų253148.6 Ų148.6100%1.24682%0.818SS**  cis-128.4014-149.3154.3-162.900112.2

Retrieved 755 of 755 residues in 738.3 ms (Link to these results)