A0A077ZE95_TRITR Loading...

Histidine-rich glycoprotein-like

AlphaFold DB , UniProt , Accession A0A077ZE95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 417 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
1M67.3Low73.7Confident223 Ų223126.6 Ų126.6100%1.09967%0.674SS**  0-27.20-80.4-169160.300114.3L3M1-L3 PolarHBondContact O-N 3.35Å
2I77.4Confident72.8Confident150 Ų150125.7 Ų125.777%0.76967%0.668SS**Hα-helixtrans-69.8-30.1-176.9-60.6171.2000113.2Y4 G5I2-Y4 VanDerWaalsContact C-N 3.32Å; I2-Y4 PolarHBondContact O-N 3.44Å; I2-G5 PolarHBondContact O-N 3.28Å
3L71.4Confident72Confident145 Ų145125.5 Ų125.576%0.75967%0.674SS**Hα-helixtrans-66.7-26.7179.9-90.9151.1000114.6M1M1-L3 PolarHBondContact O-N 3.35Å
4Y75.2Confident71.2Confident195 Ų195123.1 Ų123.177%0.76568%0.68SS**Hα-helixtrans-79.9-26.3176.9-83.3-85.7000112.9I2 F8I2-Y4 VanDerWaalsContact C-N 3.32Å; I2-Y4 PolarHBondContact O-N 3.44Å; Y4-F8 PolarHBondContact O-N 3.49Å
5G78.9Confident70.5Confident39 Ų39120.5 Ų120.540%0.40268%0.681SS.*Hα-helixtrans-70.5-34.7178.100000113.3I2 L9I2-G5 PolarHBondContact O-N 3.28Å; G5-L9 PolarHBondContact O-N 3.33Å
6V80.3Confident69.1Low91 Ų91116.8 Ų116.855%0.55268%0.677SS**Hα-helixtrans-74.9-36.4179.5-1780000111.4F8 L9 V10V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.17Å; V6-L9 PolarHBondContact O-N 3.2Å; V6-V10 WeakPolarHBondContact O-CG2 3.39Å; V6-V10 PolarHBondContact O-N 3.32Å; V6-V10 VanDerWaalsContact O-N 3.17Å
7L74.5Confident68Low124 Ų124120.6 Ų120.665%0.64969%0.688SS**Hα-helixtrans-67.2-33.3175-91.5154.1000112.9G11L7-G11 PolarHBondContact O-N 3.42Å
8F74.5Confident67Low154 Ų154124.4 Ų124.468%0.67570%0.699SS**Hα-helixtrans-72-33.6177.4-153.4-96.1000112.7Y4 V6 L12Y4-F8 PolarHBondContact O-N 3.49Å; V6-F8 VanDerWaalsContact C-N 3.35Å; V6-F8 PolarHBondContact O-N 3.17Å; F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CE1-CD1 3.71Å; F8-L12 PolarHBondContact O-N 3.27Å
9L70.2Confident66.1Low124 Ų124127.5 Ų127.565%0.64970%0.704SS**Hα-helixtrans-73.8-32.9175.8-87.7159.4000113.1G5 V6G5-L9 PolarHBondContact O-N 3.33Å; V6-L9 PolarHBondContact O-N 3.2Å
10V73.7Confident65.1Low102 Ų102132.3 Ų132.362%0.61871%0.711SS**Hα-helixtrans-72.4-31.3174.4176.50000111.6V6V6-V10 WeakPolarHBondContact O-CG2 3.39Å; V6-V10 PolarHBondContact O-N 3.32Å; V6-V10 VanDerWaalsContact O-N 3.17Å
11G67.7Low64Low46 Ų46133.6 Ų133.647%0.47472%0.718SS.*Hα-helixtrans-71-32.5175.800000114.6L7L7-G11 PolarHBondContact O-N 3.42Å
12L61.9Low63Low115 Ų115130.9 Ų130.960%0.60270%0.702SS**Hα-helixtrans-77.6-22.4-179-97158.5000113.9F8F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CE1-CD1 3.71Å; F8-L12 PolarHBondContact O-N 3.27Å
13V62.8Low61.6Low124 Ų124132.1 Ų132.175%0.75270%0.704SS**Hα-helixtrans-80.4-18.9176.51750000112.2
14A61Low59.9Low91 Ų91132.9 Ų132.975%0.75271%0.709SS**SBendtrans-90.9-4.8-179.600000114.8
15A60.5Low57.9Low85 Ų85127.6 Ų127.670%0.70271%0.705SS**SBendtrans-109.18-174.100000114.6
16G48.7Very low56.1Low60 Ų60134.5 Ų134.562%0.61973%0.727SS**SBendtrans-92.7125.4175.300000111.8
17E49.5Very low53.9Low182 Ų182140 Ų14085%0.8574%0.743SS**  trans88.555.4169.2-51.6-163.5135.700118.3
18Q51Low52Low190 Ų190141 Ų14189%0.88875%0.749SS**  trans-87.194.7146.4-88.7-175.2-22.400109.4
19K48.9Very low50.1Low182 Ų182139.6 Ų139.679%0.79176%0.757SS**  trans-78.8131.8162.4-95.1173.9178.4161.30108.7D21K19-D21 PolarHBondContact O-N 3.42Å
20W47.1Very low48.1Very low224 Ų224137.4 Ų137.485%0.84877%0.765SS**  trans-71.8106.8-179.3-72.560.4000110.1H22W20-H22 PolarHBondContact O-N 3.27Å
21D41.8Very low46.1Very low160 Ų160137.8 Ų137.886%0.85677%0.767SS**  trans-78.8100.8160.4-79-34.5000108.1K19K19-D21 PolarHBondContact O-N 3.42Å
22H47Very low44.2Very low165 Ų165145.6 Ų145.676%0.76479%0.788SS**  trans-93.4119.8166.4-114.7-43.8000109.5W20W20-H22 PolarHBondContact O-N 3.27Å
23H46.2Very low42.7Very low176 Ų176143.1 Ų143.182%0.81579%0.791SS**  trans-43.5136.4-177.1-83.3-88.3000117
24D37.4Very low41.3Very low161 Ų161144.3 Ų144.386%0.86180%0.797SS**  trans-43.9134.4159.7-69.7-60.2000114.4
25A32.7Very low39.8Very low84 Ų84142.8 Ų142.869%0.69479%0.791SS**  178.27512900000111.7
26H41.1Very low38.6Very low184 Ų184143 Ų14385%0.85279%0.785SS**  trans-141.9114.2154.9-83.8-71.5000111.3D28H26-D28 PolarHBondContact O-N 2.71Å
27K34Very low37.7Very low207 Ų207144.2 Ų144.290%0.980%0.798SS**  trans-6998.6170.7-74.4174.8175.4172.60108.6
28D35.2Very low36.8Very low145 Ų145145 Ų14578%0.77579%0.794SS**  trans-132.2123.9166.5-80.1-48.1000112.2H26 G30H26-D28 PolarHBondContact O-N 2.71Å; D28-G30 PolarHBondContact O-N 3Å
29C32.8Very low36.2Very low124 Ų124145.2 Ų145.284%0.83880%0.795SS**  trans-73.488.5-174-55.40000109.6V31C29-V31 PolarHBondContact O-N 3.46Å
30G28.2Very low35.5Very low78 Ų78144.8 Ų144.880%0.80479%0.793SS**  trans-65.792.9177.900000113.2D28 K32D28-G30 PolarHBondContact O-N 3Å; G30-K32 PolarHBondContact O-N 3.36Å
31V32.3Very low35.1Very low110 Ų110137.3 Ų137.367%0.66778%0.775SS**  trans-75.2103.7160.4176.60000107.6C29 G33C29-V31 PolarHBondContact O-N 3.46Å; V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 3.02Å
32K29Very low35.1Very low210 Ų210136.6 Ų136.691%0.91377%0.766SS**  trans-71.188.5164.9-81.2-179.4174.8174.60108.8G30G30-K32 PolarHBondContact O-N 3.36Å
33G30.3Very low34.7Very low64 Ų64134.5 Ų134.566%0.6676%0.76SS**PPolyproline II helixtrans-86.6116171.200000110.9V31V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 3.02Å
34V32.7Very low35.3Very low148 Ų148128.5 Ų128.590%0.89773%0.734SS**PPolyproline II helixtrans-67.3126.4169.7-174.70000108.3
35G29.9Very low35.8Very low59 Ų59133 Ų13361%0.60874%0.741SS**PPolyproline II helixtrans-62.9164.5-172.700000115.2
36P35.5Very low37.1Very low90 Ų90132.4 Ų132.458%0.58474%0.736SS**PPolyproline II helixtrans-85.3127.1-161.30.618.9000111.6Y38P36-Y38 HydrophobicContact CB-CD2 3.99Å; P36-Y38 HydrophobicContact CB-CE2 3.5Å; P36-Y38 HydrophobicContact CG-CD2 4.4Å; P36-Y38 HydrophobicContact CG-CE2 3.54Å; P36-Y38 WeakPolarHBondContact O-CD2 3.16Å; P36-Y38 PolarHBondContact O-N 3.26Å; P36-Y38 VanDerWaalsContact O-N 3.14Å
37G28.2Very low37.5Very low86 Ų86126 Ų12689%0.88772%0.72SS**  trans-70.799.1161.700000110
38Y31Very low38.2Very low198 Ų198122.1 Ų122.178%0.77671%0.705SS**  trans-86.2117.8169-66.6-83.2000109.6P36 K40P36-Y38 HydrophobicContact CB-CD2 3.99Å; P36-Y38 HydrophobicContact CB-CE2 3.5Å; P36-Y38 HydrophobicContact CG-CD2 4.4Å; P36-Y38 HydrophobicContact CG-CE2 3.54Å; P36-Y38 WeakPolarHBondContact O-CD2 3.16Å; P36-Y38 PolarHBondContact O-N 3.26Å; P36-Y38 VanDerWaalsContact O-N 3.14Å; Y38-K40 PolarHBondContact O-N 3.47Å
39E38Very low38.6Very low194 Ų194122.4 Ų122.491%0.90770%0.7SS**  trans-75.3117.1162-153.9171-158.900107S41E39-S41 PolarHBondContact O-N 3.19Å
40K36.2Very low39.1Very low174 Ų174124.7 Ų124.776%0.75770%0.695SS**  trans-55.9107.5-178.2-75.5-178.9176.6179.80110.2Y38 H42Y38-K40 PolarHBondContact O-N 3.47Å; K40-H42 PolarHBondContact O-N 2.97Å
41S37.5Very low39.6Very low67 Ų67123.7 Ų123.747%0.46969%0.685SS.*  trans-75.8115.4160.852.90000108.5E39 F49E39-S41 PolarHBondContact O-N 3.19Å; S41-F49 VanDerWaalsContact CB-CE1 3.46Å
42H41.9Very low39.7Very low144 Ų144122.1 Ų122.167%0.66769%0.691SS**PPolyproline II helixtrans-85.9129.9169.6-76.9-89000109.4K40K40-H42 PolarHBondContact O-N 2.97Å
43L39.2Very low40Very low121 Ų121116.9 Ų116.963%0.63469%0.687SS**BIsolated β-bridgetrans-68.6134.3161.3-95.287000108.1F49L43-F49 HydrophobicContact CD1-CE2 4.48Å
44D58.4Low40.3Very low50 Ų50124.6 Ų124.627%0.26770%0.696SS.*PPolyproline II helixtrans-75.3163.4160.563.419.3000110.2A46 G47 H48D44-A46 PolarHBondContact O-N 3.35Å; D44-A46 PolarHBondContact OD1-N 3.4Å; D44-G47 PolarHBondContact O-N 3.06Å; D44-G47 PolarHBondContact OD1-N 2.94Å; D44-H48 WeakPolarHBondContact OD1-CA 3.22Å; D44-H48 WeakPolarHBondContact OD1-CB 3.28Å; D44-H48 PolarHBondContact OD1-N 3.35Å
45Y47.7Very low40.5Very low255 Ų255126.9 Ų126.9100%169%0.694SS**THydrogen-bonded Turntrans-59.2-8.7-178.9-132.7-90.9000113.4
46A59.9Low41Very low72 Ų72133.1 Ų133.160%0.59570%0.704SS**THydrogen-bonded Turntrans-1054.918000000113.5D44 H48D44-A46 PolarHBondContact O-N 3.35Å; D44-A46 PolarHBondContact OD1-N 3.4Å; A46-H48 VanDerWaalsContact C-N 3.31Å; A46-H48 PolarHBondContact O-N 3.47Å
47G50.2Low40.9Very low51 Ų51136.1 Ų136.153%0.52672%0.715SS.*  trans73.119.5178.800000114.4D44D44-G47 PolarHBondContact O-N 3.06Å; D44-G47 PolarHBondContact OD1-N 2.94Å
48H48.2Very low41.3Very low124 Ų124136.2 Ų136.257%0.57470%0.7SS**  trans-95.3127.7176.8-66.9-22000111.8D44 A46 K50D44-H48 WeakPolarHBondContact OD1-CA 3.22Å; D44-H48 WeakPolarHBondContact OD1-CB 3.28Å; D44-H48 PolarHBondContact OD1-N 3.35Å; A46-H48 VanDerWaalsContact C-N 3.31Å; A46-H48 PolarHBondContact O-N 3.47Å; H48-K50 PolarHBondContact O-N 2.96Å
49F43.9Very low41.9Very low152 Ų152133.9 Ų133.967%0.66770%0.699SS**BIsolated β-bridgetrans-71.8109.7171.5-118.7-92.7000109.7S41 L43S41-F49 VanDerWaalsContact CB-CE1 3.46Å; L43-F49 HydrophobicContact CD1-CE2 4.48Å
50K43.6Very low41.7Very low172 Ų172134 Ų13475%0.74869%0.693SS**  trans-109.388.1166.3-82.7177.9178.4159.60109.3H48H48-K50 PolarHBondContact O-N 2.96Å
51G38.8Very low41.8Very low57 Ų57132.8 Ų132.859%0.58869%0.687SS**  trans-158.3130.417900000111.7
52G34.3Very low41.7Very low77 Ų77138.6 Ų138.679%0.79470%0.704SS**PPolyproline II helixtrans-71.8170-167.800000115.9R54G52-R54 PolarHBondContact O-N 3.43Å
53A33.7Very low41.8Very low99 Ų99135.9 Ų135.982%0.81870%0.698SS**PPolyproline II helixtrans-47.4125.8-172.600000114.7K55A53-K55 PolarHBondContact O-N 3.34Å
54R37.1Very low41.5Very low226 Ų226139.2 Ų139.285%0.85371%0.71SS**PPolyproline II helixtrans-58.4119.2169.8-71.8177.3161.5-172.1-6.5110.2G52G52-R54 PolarHBondContact O-N 3.43Å
55K37.8Very low40.8Very low196 Ų196141 Ų14185%0.85274%0.74SS**PPolyproline II helixtrans-100.7121.8163-68.5-177.2-178.7179.30107.8A53A53-K55 PolarHBondContact O-N 3.34Å
56F39.1Very low40.3Very low190 Ų190134.8 Ų134.883%0.83372%0.72SS**PPolyproline II helixtrans-78.3126.3167.9-69.3-88.1000108.5
57L34.7Very low39.2Very low154 Ų154139.8 Ų139.881%0.80673%0.731SS**PPolyproline II helixtrans-82.4135.7167.1-79.6153.9000108.3
58P36.8Very low38.6Very low87 Ų87144.1 Ų144.157%0.56574%0.736SS**PPolyproline II helixtrans-65.113617525.7-31.5000110.6Y60P58-Y60 HydrophobicContact CG-CE2 4.18Å
59I42.9Very low38Very low149 Ų149146.7 Ų146.776%0.76475%0.748SS**PPolyproline II helixtrans-92.7125.2172.6-59.5173.7000107.7
60Y33.9Very low37.7Very low196 Ų196144.1 Ų144.177%0.76974%0.744SS**PPolyproline II helixtrans-95.5123.6174-60.6-86.7000109.7P58P58-Y60 HydrophobicContact CG-CE2 4.18Å
61K38Very low37.4Very low149 Ų149141 Ų14165%0.64874%0.739SS**  trans-108.5115.7167-170176.2-178.7178.80108.4V63K61-V63 HydrophobicContact CD-CG2 4.47Å; K61-V63 HydrophobicContact CG-CG2 4.24Å; K61-V63 PolarHBondContact O-N 3.31Å
62K36.6Very low37.3Very low189 Ų189144 Ų14482%0.82275%0.746SS**  trans-78.2117.1175.3-140.7172.7-172.21760108.4
63V42.3Very low37.3Very low88 Ų88149.1 Ų149.153%0.53375%0.746SS.*BIsolated β-bridgetrans-123.8119.5170.5-177.10000106.3K61 G65K61-V63 HydrophobicContact CD-CG2 4.47Å; K61-V63 HydrophobicContact CG-CG2 4.24Å; K61-V63 PolarHBondContact O-N 3.31Å; V63-G65 PolarHBondContact O-N 2.94Å
64H34.3Very low37Very low191 Ų191148 Ų14888%0.88474%0.744SS**THydrogen-bonded Turntrans19.993.8174.2-81.5-82.1000117E66H64-E66 VanDerWaalsContact C-N 3.26Å; H64-E66 PolarHBondContact O-N 3.45Å
65G42.6Very low36.5Very low88 Ų88140.7 Ų140.791%0.90774%0.74SS**THydrogen-bonded Turntrans74.8-13.4157.700000118.4V63V63-G65 PolarHBondContact O-N 2.94Å
66E37.8Very low36Very low124 Ų124138 Ų13858%0.57974%0.744SS**BIsolated β-bridgetrans-132.4125.2178.4-70.8-172.3153.600111.7H64 K68H64-E66 VanDerWaalsContact C-N 3.26Å; H64-E66 PolarHBondContact O-N 3.45Å; E66-K68 PolarHBondContact O-N 2.99Å; E66-K68 WeakPolarHBondContact OE2-CE 3.25Å; E66-K68 IonicContact OE2-NZ 2.99Å; E66-K68 PolarHBondContact OE2-NZ 3.31Å
67E35.8Very low35.4Very low176 Ų176132.4 Ų132.482%0.82274%0.739SS**  trans-73.2108.7171-66.6-174.6163.500109.5
68K38.3Very low35.3Very low143 Ų143130 Ų13062%0.62274%0.742SS**  trans-117.2129172.7-74.2177.4-178.3154.50110.3E66 V70E66-K68 PolarHBondContact O-N 2.99Å; E66-K68 WeakPolarHBondContact OE2-CE 3.25Å; E66-K68 IonicContact OE2-NZ 2.99Å; E66-K68 PolarHBondContact OE2-NZ 3.31Å; K68-V70 PolarHBondContact O-N 3.13Å
69E36.4Very low34.8Very low177 Ų177134.3 Ų134.383%0.82775%0.754SS**  trans-66.8118.5174.5-172.6-178.4175.800109.6V71E69-V71 HydrophobicContact CG-CG2 4.41Å
70V37.5Very low34.4Very low98 Ų98134.6 Ų134.659%0.59476%0.758SS**  trans-120.2104.2171.9-1770000108.2K68 V72K68-V70 PolarHBondContact O-N 3.13Å; V70-V72 HydrophobicContact CG1-CG2 4.07Å; V70-V72 PolarHBondContact O-N 3.45Å; V70-V72 VanDerWaalsContact O-N 3.11Å
71V36.9Very low34.4Very low106 Ų106134.4 Ų134.464%0.64276%0.763SS**  trans-76.495.4171.8-1790000108.4E69 K73E69-V71 HydrophobicContact CG-CG2 4.41Å; V71-K73 PolarHBondContact O-N 3.36Å
72V36Very low34.1Very low121 Ų121132.1 Ų132.173%0.73376%0.763SS**  trans-76.3101.8171-176.60000108.4V70 G74V70-V72 HydrophobicContact CG1-CG2 4.07Å; V70-V72 PolarHBondContact O-N 3.45Å; V70-V72 VanDerWaalsContact O-N 3.11Å; V72-G74 PolarHBondContact O-N 2.99Å; V72-G74 VanDerWaalsContact O-N 3.17Å
73K33.8Very low34Very low184 Ų184131.3 Ų131.380%0.876%0.763SS**  trans-73.498.5166.2-76.6-175.4177.9177.60108.5V71 G75V71-K73 PolarHBondContact O-N 3.36Å; K73-G75 PolarHBondContact O-N 3.11Å
74G27.8Very low33.7Very low75 Ų75135.7 Ų135.777%0.77378%0.777SS**  trans-70.5109.8169.800000110.6V72V72-G74 PolarHBondContact O-N 2.99Å; V72-G74 VanDerWaalsContact O-N 3.17Å
75G27.2Very low33.5Very low73 Ų73135.3 Ų135.375%0.75378%0.775SS**  trans-92141.5164.100000110.1K73 G77K73-G75 PolarHBondContact O-N 3.11Å; G75-G77 PolarHBondContact O-N 3.18Å
76C27.6Very low33.2Very low141 Ų141139.8 Ų139.895%0.95377%0.773SS**  trans-64.3120.5179.9-56.10000111.4
77G26.6Very low32.8Very low71 Ų71142.3 Ų142.373%0.73278%0.784SS**  trans-130.489.5161.600000107.9G75 H79G75-G77 PolarHBondContact O-N 3.18Å; G77-H79 PolarHBondContact O-N 2.89Å
78A31.7Very low32.8Very low105 Ų105143 Ų14387%0.86879%0.787SS**  trans-88.496.1167.100000107.1
79H27.9Very low32.4Very low176 Ų176145.9 Ų145.982%0.81580%0.8SS**  trans-115.4109.1159.8-91.1-78.3000105.7G77G77-H79 PolarHBondContact O-N 2.89Å
80D33.5Very low32.1Very low156 Ų156146 Ų14683%0.83480%0.8SS**  trans-158.897.8157.9-85.1-36000107.8
81H33.4Very low31.7Very low192 Ų192150 Ų15089%0.88981%0.812SS**  trans-145.1116.7148.3-103.4-63.3000107.1
82P32.5Very low31.5Very low100 Ų100155 Ų15565%0.64982%0.82SS**  trans-84.8162.1162.436.1-29.2000109.2
83E33.3Very low31.5Very low172 Ų172157.2 Ų157.280%0.80482%0.822SS**  trans82.993.7168.5-52.2179.1-176.300116.3
84H36.6Very low31.4Very low180 Ų180158 Ų15883%0.83383%0.825SS**  -176115.9109.6-100.3-72.6000109.9H86H84-H86 PolarHBondContact O-N 3.24Å
85E29.6Very low31.6Very low183 Ų183166.5 Ų166.586%0.85583%0.834SS**  trans-58.5126.5159.9-68.6177.9142.500108.7
86H36.5Very low31.8Very low183 Ų183166.1 Ų166.185%0.84783%0.83SS**  trans-164.7127.8137.9-103.9-74.7000109.5H84H84-H86 PolarHBondContact O-N 3.24Å
87H29.9Very low31.9Very low176 Ų176165.4 Ų165.482%0.81582%0.821SS**  trans-47.6140.4173-66.9-91.1000113
88E35.1Very low32.3Very low192 Ų192168.4 Ų168.490%0.89783%0.825SS**  -176.5145.799.7-96.8-179.2166.700111.4
89K29.9Very low32.3Very low203 Ų203170.6 Ų170.688%0.88382%0.817SS**  trans-76.8136.3-177.2-66.2164.9175.6172.60109.3
90E31.2Very low32.7Very low178 Ų178170.6 Ų170.683%0.83282%0.817SS**  trans-150.4111.4139.5-121.6-177.1166.400111.2
91E29.3Very low32.6Very low183 Ų183169.8 Ų169.886%0.85581%0.808SS**  trans-58.1149.6158.4-68.2176.3123.100109.3
92R32.3Very low32.9Very low212 Ų212167.9 Ų167.980%0.881%0.805SS**  trans-168.3119.1130.3-101.6177.6-172.1177.75.6113.5
93H36.5Very low32.9Very low166 Ų166169.5 Ų169.577%0.76981%0.808SS**  trans78.698.9144-69.9-66.2000123.1
94K31.5Very low33.2Very low200 Ų200170.3 Ų170.387%0.8781%0.811SS**  trans-53.7138.6142.8-64.5172.2175.8175.20112.7
95R32.6Very low33.1Very low254 Ų254169.8 Ų169.896%0.95881%0.808SS**  trans-144.1105.5142.3-86.6-175.8176.9179.8-1.2105.3
96G31.5Very low33Very low65 Ų65167.7 Ų167.767%0.6780%0.803SS**  9581.280.500000107.4
97V28.4Very low32.7Very low126 Ų126164 Ų16476%0.76480%0.797SS**  36.9101.595.9-172.80000112.8E99V97-E99 HydrophobicContact CG1-CG 4.23Å
98V34.4Very low32.5Very low134 Ų134165.6 Ų165.681%0.81280%0.802SS**  trans-126.7106.7146.4171.80000105.1
99E33Very low32.1Very low151 Ų151167.4 Ų167.471%0.70680%0.8SS**  trans-78.8125.6166.6-75.3176154.700108.1V97V97-E99 HydrophobicContact CG1-CG 4.23Å
100H36.6Very low31.9Very low176 Ų176167 Ų16782%0.81580%0.798SS**  trans-120.7108.5150.7-109.2-78.7000106.4
101H30.3Very low31.6Very low139 Ų139162.1 Ų162.164%0.64480%0.797SS**  trans-61.5128.6163.7-89.1-92.1000108.7
102D39.3Very low31.5Very low153 Ų153159.6 Ų159.682%0.81879%0.793SS**  trans-154117.9145-86.1-40.5000108.5H104D102-H104 PolarHBondContact O-N 3.28Å
103D33.3Very low31.3Very low134 Ų134152.3 Ų152.372%0.71778%0.784SS**  trans-67.5111.1-176.3-65.3-56.8000111.4
104H39.2Very low31.1Very low188 Ų188149.4 Ų149.487%0.8778%0.78SS**  trans-143.8121.4157.2-85.7-62.4000112.6D102D102-H104 PolarHBondContact O-N 3.28Å
105H33.7Very low31Very low169 Ų169143.7 Ų143.778%0.78278%0.778SS**  trans-58.4145.9-179.4-77.8-92000114.6
106D28.8Very low30.8Very low139 Ų139142 Ų14274%0.74377%0.773SS**  trans56.683.1144.7-59.5-28.9000119
107C29.1Very low30.9Very low107 Ų107146.8 Ų146.872%0.72378%0.778SS**  trans-168.479.6140.9-1000000110.6W109C107-W109 VanDerWaalsContact C-N 3.3Å; C107-W109 PolarHBondContact O-N 3.37Å
108K26.9Very low31.1Very low209 Ų209149.9 Ų149.991%0.90978%0.781SS**  trans-71.985.3169.9-82-179.6179.5167.50110.4K110K108-K110 PolarHBondContact O-N 3.09Å
109W26.9Very low31.1Very low230 Ų230146.7 Ų146.787%0.87177%0.765SS**  trans-75.597.4161.7-71.546.4000107.9C107 G111C107-W109 VanDerWaalsContact C-N 3.3Å; C107-W109 PolarHBondContact O-N 3.37Å; W109-G111 PolarHBondContact O-N 3.38Å
110K25.4Very low31.1Very low193 Ų193147.7 Ų147.784%0.83977%0.769SS**  trans-84.689.2161.2-82.4-169.9174.4-176.30108.1K108 V112K108-K110 PolarHBondContact O-N 3.09Å; K110-V112 PolarHBondContact O-N 3.36Å
111G24.1Very low30.8Very low77 Ų77145.5 Ų145.579%0.79476%0.763SS**  trans-60.2123.7166.700000109.9W109W109-G111 PolarHBondContact O-N 3.38Å
112V28Very low31.5Very low129 Ų129141.6 Ų141.678%0.78275%0.746SS**  trans-115.399.2167.7-175.20000106K110K110-V112 PolarHBondContact O-N 3.36Å
113G27Very low31.4Very low59 Ų59146.3 Ų146.361%0.60875%0.754SS**PPolyproline II helixtrans-62.4158.117400000111.9G115G113-G115 PolarHBondContact O-N 3.12Å
114P33.9Very low32.3Very low106 Ų106143.1 Ų143.169%0.68875%0.747SS**PPolyproline II helixtrans-68.4123.8-176.527.5-31000110.3Y116P114-Y116 WeakPolarHBondContact O-CD2 3.41Å; P114-Y116 PolarHBondContact O-N 3.17Å
115G28.4Very low32.3Very low79 Ų79136.5 Ų136.581%0.81473%0.73SS**PPolyproline II helixtrans-63.5121.2172.500000111.1G113G113-G115 PolarHBondContact O-N 3.12Å
116Y29.4Very low32.8Very low219 Ų219134.4 Ų134.486%0.85972%0.72SS**PPolyproline II helixtrans-78121.6171.6-63.7-92.3000109.1P114P114-Y116 WeakPolarHBondContact O-CD2 3.41Å; P114-Y116 PolarHBondContact O-N 3.17Å
117E32.8Very low33.1Very low165 Ų165135.2 Ų135.277%0.77172%0.717SS**PPolyproline II helixtrans-89.4123.5166.9-156.9171.5-16300107.1S119 R132E117-S119 PolarHBondContact O-N 3.27Å; E117-R132 IonicContact OE2-NH2 2.96Å
118K33.4Very low33.6Very low192 Ų192139.1 Ų139.184%0.83572%0.722SS**  trans-51.5111.2-178.6-78.9177.1175.4177.90110.5H120K118-H120 PolarHBondContact O-N 3.38Å
119S32.6Very low34.1Very low67 Ų67132.2 Ų132.247%0.46971%0.709SS.*  trans-76.1114.9163.550.70000108.8E117 L121 F127E117-S119 PolarHBondContact O-N 3.27Å; S119-L121 PolarHBondContact O-N 3.32Å; S119-F127 VanDerWaalsContact OG-CZ 3.24Å; S119-F127 WeakPolarHBondContact OG-CZ 3.44Å
120H35Very low34.5Very low172 Ų172124.7 Ų124.780%0.79670%0.704SS**PPolyproline II helixtrans-71.7123.8168.6-78.9-91000109.6K118K118-H120 PolarHBondContact O-N 3.38Å
121L29.5Very low34.8Very low130 Ų130120.7 Ų120.768%0.68171%0.707SS**PPolyproline II helixtrans-69.8134.5162.5-81.2117000108.6S119S119-L121 PolarHBondContact O-N 3.32Å
122D44.4Very low35.2Very low57 Ų57126.2 Ų126.231%0.30570%0.703SS.*PPolyproline II helixtrans-73.3162.216057.814000109.6A124 G125 H126D122-A124 PolarHBondContact O-N 3.38Å; D122-G125 PolarHBondContact O-N 3.46Å; D122-G125 PolarHBondContact OD1-N 3.05Å; D122-H126 WeakPolarHBondContact OD1-CA 3.24Å; D122-H126 PolarHBondContact OD1-N 3.38Å
123Y37.3Very low35.5Very low251 Ų251129.9 Ų129.998%0.98471%0.709SS**THydrogen-bonded Turntrans-59.1-5.1-177.8-140.5-92.8000113.6
124A52Low35.9Very low68 Ų68136.3 Ų136.356%0.56272%0.721SS**THydrogen-bonded Turntrans-111.25.9-179.200000113.8D122 H126D122-A124 PolarHBondContact O-N 3.38Å; A124-H126 PolarHBondContact O-N 3.1Å
125G40.3Very low35.9Very low49 Ų49138.8 Ų138.851%0.50573%0.727SS.*  trans7520.8175.200000114.7D122D122-G125 PolarHBondContact O-N 3.46Å; D122-G125 PolarHBondContact OD1-N 3.05Å
126H42.9Very low36.1Very low125 Ų125138.8 Ų138.858%0.57971%0.713SS**  trans-104.1120.2-175.2-70.1-24.5000113D122 A124 K128D122-H126 WeakPolarHBondContact OD1-CA 3.24Å; D122-H126 PolarHBondContact OD1-N 3.38Å; A124-H126 PolarHBondContact O-N 3.1Å; H126-K128 PolarHBondContact O-N 3.14Å
127F35.9Very low36.3Very low155 Ų155135.9 Ų135.968%0.6871%0.71SS**  trans-72.5109.6174.3-132.1-92.2000110.4S119S119-F127 VanDerWaalsContact OG-CZ 3.24Å; S119-F127 WeakPolarHBondContact OG-CZ 3.44Å
128K38.9Very low36.3Very low190 Ų190135.9 Ų135.983%0.82670%0.704SS**  trans-105.574.4170.2-82.9177.5179.2160.10110.6H126H126-K128 PolarHBondContact O-N 3.14Å
129G38.2Very low36.3Very low63 Ų63134.9 Ų134.965%0.64970%0.7SS**  trans-116.2117.3175.600000112.2
130G34.6Very low36.5Very low73 Ų73139.8 Ų139.875%0.75371%0.713SS**PPolyproline II helixtrans-73.1152.4-179.100000114.5R132G130-R132 PolarHBondContact O-N 3.18Å
131A32.7Very low36.7Very low109 Ų109135.7 Ų135.790%0.90170%0.7SS**PPolyproline II helixtrans-55.8119.9-177.200000113.5
132R33Very low37Very low192 Ų192138.4 Ų138.473%0.72571%0.709SS**PPolyproline II helixtrans-81.6129.2170.3-74.3-179.1162.6-172.2-4.1110.2E117 G130E117-R132 IonicContact OE2-NH2 2.96Å; G130-R132 PolarHBondContact O-N 3.18Å
133K33.9Very low36.8Very low206 Ų206139.6 Ų139.690%0.89674%0.735SS**PPolyproline II helixtrans-83.6125.9164.6-67.7-178.9-179.3179.30108
134F35.7Very low36.8Very low195 Ų195133.5 Ų133.586%0.85572%0.715SS**PPolyproline II helixtrans-81.3129.9169.6-66.4-89.2000109.1
135L32.4Very low36Very low158 Ų158137.8 Ų137.883%0.82772%0.723SS**PPolyproline II helixtrans-84.9135.4165.3-77.1158.6000107.9
136P34.2Very low35.7Very low78 Ų78142.1 Ų142.151%0.50673%0.728SS.*PPolyproline II helixtrans-62.2136.817524.1-30.9000110.5Y138P136-Y138 HydrophobicContact CB-CE2 4.24Å; P136-Y138 HydrophobicContact CG-CE2 3.94Å
137I33.1Very low35.2Very low158 Ų158143.4 Ų143.481%0.8173%0.734SS**PPolyproline II helixtrans-93.1121171.6-58.9174000107
138Y31.7Very low35.2Very low165 Ų165141.3 Ų141.365%0.64773%0.734SS**PPolyproline II helixtrans-94125.8173.3-61.1-84.6000109.5P136P136-Y138 HydrophobicContact CB-CE2 4.24Å; P136-Y138 HydrophobicContact CG-CE2 3.94Å
139K35.2Very low35Very low172 Ų172137.3 Ų137.375%0.74873%0.725SS**  trans-105.3115.3168-171.2179.2179.7-179.20108.1V141K139-V141 HydrophobicContact CD-CG2 4.29Å; K139-V141 HydrophobicContact CG-CG2 4.12Å
140K35.9Very low34.8Very low169 Ų169140.1 Ų140.174%0.73573%0.73SS**  trans-79.1118.9174.2-138.8173.2-171.2174.10108.5
141V40Very low34.7Very low87 Ų87145.8 Ų145.853%0.52773%0.734SS.*BIsolated β-bridgetrans-127.9117170.8-1770000106.7K139K139-V141 HydrophobicContact CD-CG2 4.29Å; K139-V141 HydrophobicContact CG-CG2 4.12Å
142H34.9Very low34.5Very low187 Ų187144 Ų14487%0.86673%0.726SS**THydrogen-bonded Turntrans38.577.5172.3-74.7-80.6000116.8E144H142-E144 VanDerWaalsContact C-N 3.26Å; H142-E144 PolarHBondContact O-N 3.11Å
143G41.3Very low34.3Very low82 Ų82138.4 Ų138.485%0.84573%0.728SS**THydrogen-bonded Turntrans75.4-9.415800000118
144E36.1Very low34Very low123 Ų123135.4 Ų135.458%0.57573%0.731SS**BIsolated β-bridgetrans-129.8129.2175.9-69.8-172.9159.500111.6H142 K146H142-E144 VanDerWaalsContact C-N 3.26Å; H142-E144 PolarHBondContact O-N 3.11Å; E144-K146 PolarHBondContact O-N 3.38Å; E144-K146 VanDerWaalsContact OE2-CE 3.28Å; E144-K146 WeakPolarHBondContact OE2-CE 3.24Å; E144-K146 IonicContact OE2-NZ 2.71Å; E144-K146 PolarHBondContact OE2-NZ 3.48Å
145E35.2Very low33.6Very low158 Ų158129.3 Ų129.374%0.73872%0.723SS**  trans-77.8113.9171.9-67.1-177.9167.700109.6
146K34.5Very low33.6Very low140 Ų140126.6 Ų126.661%0.60972%0.724SS**  trans-119126.3171.1-71.2178.1-176.71590109.7E144 V148E144-K146 PolarHBondContact O-N 3.38Å; E144-K146 VanDerWaalsContact OE2-CE 3.28Å; E144-K146 WeakPolarHBondContact OE2-CE 3.24Å; E144-K146 IonicContact OE2-NZ 2.71Å; E144-K146 PolarHBondContact OE2-NZ 3.48Å; K146-V148 PolarHBondContact O-N 3.31Å
147E32.7Very low33.4Very low151 Ų151131.2 Ų131.271%0.70674%0.738SS**  trans-69.3121.9174.3-173.4-178.2175.600109.4V149E147-V149 HydrophobicContact CG-CG2 4.16Å
148V35.5Very low33.4Very low111 Ų111131.3 Ų131.367%0.67374%0.74SS**  trans-116.4101.8171-177.30000107.9K146 V150K146-V148 PolarHBondContact O-N 3.31Å; V148-V150 HydrophobicContact CG1-CG2 4.08Å; V148-V150 PolarHBondContact O-N 3.46Å; V148-V150 VanDerWaalsContact O-N 3.12Å
149V34.2Very low33.6Very low106 Ų106131.9 Ų131.964%0.64275%0.749SS**  trans-76.795.1172.9-178.20000108.4E147 K151E147-V149 HydrophobicContact CG-CG2 4.16Å; V149-K151 PolarHBondContact O-N 3.15Å
150V35.2Very low33.4Very low123 Ų123129.3 Ų129.375%0.74575%0.749SS**  trans-77101169.3-176.20000108.1V148 G152V148-V150 HydrophobicContact CG1-CG2 4.08Å; V148-V150 PolarHBondContact O-N 3.46Å; V148-V150 VanDerWaalsContact O-N 3.12Å; V150-G152 PolarHBondContact O-N 3.36Å; V150-G152 VanDerWaalsContact O-N 3.11Å
151K32Very low33.5Very low192 Ų192129.5 Ų129.584%0.83575%0.753SS**  trans-68.6102.9163.9-77.9-174.7178177.10107.8V149 G153V149-K151 PolarHBondContact O-N 3.15Å; K151-G153 PolarHBondContact O-N 3.35Å
152G28.1Very low33.4Very low71 Ų71133 Ų13373%0.73276%0.763SS**  trans-63.8112.9166.200000109.4V150V150-G152 PolarHBondContact O-N 3.36Å; V150-G152 VanDerWaalsContact O-N 3.11Å
153G28.5Very low33.3Very low75 Ų75131 Ų13177%0.77375%0.754SS**  trans-74.5142.5172.100000111.3K151K151-G153 PolarHBondContact O-N 3.35Å
154C28.5Very low33.1Very low143 Ų143134 Ų13497%0.96675%0.746SS**  trans-74.8124.3165.7-61.80000108.4
155G26.7Very low32.9Very low66 Ų66135.9 Ų135.968%0.6875%0.754SS**  trans-151.880.7174.500000109.8
156A31.8Very low32.9Very low101 Ų101137.6 Ų137.684%0.83576%0.762SS**  trans-94.4105.9152.900000105.5
157H30.1Very low33Very low175 Ų175140.2 Ų140.281%0.8177%0.774SS**PPolyproline II helixtrans-70.4118.8169.5-80-93.8000108.4
158D34.5Very low33.1Very low161 Ų161142 Ų14286%0.86178%0.782SS**PPolyproline II helixtrans-96.1137152.4-77-36.1000108.2
159H34.3Very low32.9Very low177 Ų177145.1 Ų145.182%0.81979%0.789SS**PPolyproline II helixtrans-60.2151.6-165-87.6-97.5000115.2
160P31.6Very low32.9Very low118 Ų118151.5 Ų151.577%0.76680%0.802SS**PPolyproline II helixtrans-89.2125.6169.234.1-25.9000110.2
161E38Very low32.8Very low173 Ų173154 Ų15481%0.80881%0.805SS**  trans-127.6125.8160.2-74.8-171.316900109.1
162H37.5Very low33.2Very low159 Ų159153.4 Ų153.474%0.73680%0.803SS**  trans41.9127.6142-66.6-93.7000117.4
163E34.1Very low33.6Very low145 Ų145160.9 Ų160.968%0.67881%0.809SS**  cis174.416133.7-125.9168.6-152.800109.7
164H36.8Very low33.6Very low145 Ų145160.8 Ų160.867%0.67181%0.808SS**  trans72.5105.7153.3-77.8-78.1000122.6
165H32.3Very low33.8Very low163 Ų163160.5 Ų160.576%0.75580%0.801SS**  31.8125.4128.8-64.9-85.1000118.6
166E35.1Very low34.3Very low195 Ų195163 Ų16391%0.91180%0.803SS**  -165.7150.578.7-105-174144.500113.2
167K35.2Very low34.4Very low194 Ų194165.9 Ų165.984%0.84380%0.799SS**  trans-69145177.5-66.1167.3174.1175.60111.7
168Q34.7Very low34.7Very low189 Ų189166.8 Ų166.888%0.88380%0.803SS**  trans-159.2102.3134.5-112.3173.463.100112
169E31.4Very low34.7Very low177 Ų177165.5 Ų165.583%0.82779%0.792SS**  trans-69.5135.1157.2-78.8176.1124.500110
170R35.2Very low35Very low240 Ų240164.7 Ų164.791%0.90679%0.794SS**  trans-14193.3147.8-94.1-171176-170.80.7109.7
171H32.6Very low35.2Very low174 Ų174165.3 Ų165.381%0.80679%0.791SS**  trans-78.7138.3152.1-97.3-85.3000109.4
172K40.4Very low35.3Very low181 Ų181166.6 Ų166.679%0.78780%0.796SS**  trans-168.4128.5143.5-109.9167.1-171.5178.60112.6
173R35.9Very low35.2Very low228 Ų228166.6 Ų166.686%0.8680%0.796SS**  trans77.5120.5153.7-59.1171.2179.3-177.6-2.5115.8
174G28Very low35.1Very low73 Ų73166.2 Ų166.275%0.75380%0.799SS**  cis91.294.412.400000112.6
175V34.6Very low34.9Very low137 Ų137165.4 Ų165.483%0.8381%0.808SS**  trans-164.4103.4153.8179.20000105
176V36.6Very low34.8Very low119 Ų119167.9 Ų167.972%0.72182%0.816SS**  77.7104.276.8179.10000114.2
177E34.2Very low34.2Very low160 Ų160170.2 Ų170.275%0.74882%0.817SS**  trans56.8122137.5-63.5174.1174.300122.3
178H35.6Very low33.9Very low194 Ų194168 Ų16890%0.89882%0.815SS**  -152.3128.4120.3-116-80.2000110.4
179H34.9Very low33.4Very low135 Ų135162.5 Ų162.563%0.62581%0.809SS**  trans-62.6151.6172.5-85.6-97.5000112.1
180D39.4Very low33.3Very low160 Ų160161.1 Ų161.186%0.85681%0.812SS**  -172128.1120.6-84.4-29.4000110.6
181D37.6Very low32.9Very low131 Ų131152.5 Ų152.570%0.70180%0.798SS**  trans-70.6132.9-173.5-62.2-60.5000112.9
182H38.4Very low32.9Very low199 Ų199149.3 Ų149.392%0.92179%0.792SS**  trans-148.7133.4148.7-92.2-64.5000112.2
183H36.6Very low32.2Very low160 Ų160144.6 Ų144.674%0.74180%0.795SS**  trans-62.6149.9-170.4-88.1-98.5000116.9
184D32.4Very low31.9Very low136 Ų136143.8 Ų143.873%0.72779%0.794SS**  trans61.397.9142.6-58.5-31.5000120.3
185C30.9Very low32.2Very low129 Ų129149.5 Ų149.587%0.87280%0.801SS**  -170.7104.5126.1-93.80000109.8W187C185-W187 PolarHBondContact O-N 2.92Å; C185-W187 VanDerWaalsContact O-N 3.1Å
186K30.4Very low32.2Very low214 Ų214151.7 Ų151.793%0.9380%0.799SS**  trans-63.6107.3171.6-84.4176.2175.5170.30110.1
187W24.1Very low32Very low244 Ų244150.5 Ų150.592%0.92480%0.796SS**  trans-100.6116160.1-153.8-5.2000108.4C185 G189C185-W187 PolarHBondContact O-N 2.92Å; C185-W187 VanDerWaalsContact O-N 3.1Å; W187-G189 PolarHBondContact O-N 3.13Å; W187-G189 VanDerWaalsContact O-N 3.14Å
188N28.3Very low32.1Very low148 Ų148151.3 Ų151.379%0.79180%0.8SS**  trans-69.3107.1167.7-75.2-20.8000108.2
189G24.6Very low31.8Very low74 Ų74149.9 Ų149.976%0.76380%0.798SS**  trans-63.1130.1177.400000112.2W187W187-G189 PolarHBondContact O-N 3.13Å; W187-G189 VanDerWaalsContact O-N 3.14Å
190V28.9Very low31.9Very low148 Ų148150.4 Ų150.490%0.89781%0.805SS**  trans-93.6107.7158.1-1800000105.8
191G27.3Very low31.8Very low59 Ų59154.7 Ų154.761%0.60881%0.811SS**  trans-64.4154.8-178.600000113.1G193G191-G193 PolarHBondContact O-N 2.95Å
192P31Very low32.2Very low106 Ų106152.3 Ų152.369%0.68881%0.81SS**  trans-79.9113.8-176.729.8-29.2000111.1Y194P192-Y194 HydrophobicContact CB-CD2 3.8Å; P192-Y194 HydrophobicContact CB-CE2 3.37Å; P192-Y194 HydrophobicContact CG-CE2 4.33Å
193G27.3Very low32Very low82 Ų82146.5 Ų146.585%0.84580%0.804SS**  trans-94.486.7166.900000110.7G191G191-G193 PolarHBondContact O-N 2.95Å
194Y29.8Very low32.1Very low211 Ų211148 Ų14883%0.82781%0.808SS**  trans-94.8110.7165.9-56.7-77.3000108.4P192P192-Y194 HydrophobicContact CB-CD2 3.8Å; P192-Y194 HydrophobicContact CB-CE2 3.37Å; P192-Y194 HydrophobicContact CG-CE2 4.33Å
195E33Very low32.1Very low193 Ų193150.7 Ų150.790%0.90281%0.814SS**  trans-96.3120167.8-156167.8-15700108.4S197E195-S197 PolarHBondContact O-N 3.29Å
196K35.2Very low32.3Very low184 Ų184154.6 Ų154.680%0.882%0.816SS**  trans-61.9116.2179.5-72.5172.3175.7176.10109.8
197S32.3Very low32.6Very low94 Ų94147.4 Ų147.466%0.65780%0.803SS**  trans-80.4113.9160.355.70000109.3E195E195-S197 PolarHBondContact O-N 3.29Å
198H35.7Very low32.9Very low176 Ų176139.5 Ų139.582%0.81580%0.797SS**PPolyproline II helixtrans-68.6137.5165.5-88-103.5000110.1
199L29.9Very low33.1Very low165 Ų165137.4 Ų137.486%0.86480%0.8SS**PPolyproline II helixtrans-84.4123.7-178.9-109.5121.3000110.8
200D37.6Very low33.5Very low146 Ų146144.7 Ų144.778%0.78181%0.805SS**PPolyproline II helixtrans-86.5139.9164.9-73.2-23.9000111A202D200-A202 PolarHBondContact O-N 3.43Å
201Y36.3Very low33.7Very low249 Ų249147.3 Ų147.398%0.97680%0.804SS**THydrogen-bonded Turntrans-64.619.6-172.7-119.3-94000116.2
202A46.2Very low33.8Very low81 Ų81154 Ų15467%0.66982%0.817SS**THydrogen-bonded Turntrans-127.58.6-173.600000115.7D200 K204D200-A202 PolarHBondContact O-N 3.43Å; A202-K204 PolarHBondContact O-N 3.14Å
203G33.6Very low34Very low78 Ų78156.6 Ų156.680%0.80482%0.824SS**  trans58.537.9161.900000116.7
204K38.5Very low34.1Very low190 Ų190157 Ų15783%0.82681%0.812SS**  trans-132.3103.1174.8-68.1-174.4-176.1176.60112.3A202 K206A202-K204 PolarHBondContact O-N 3.14Å; K204-K206 PolarHBondContact O-N 3.19Å
205F33.8Very low34.2Very low193 Ų193154.9 Ų154.985%0.84681%0.813SS**  trans-74.2115.8169.4-120.3-96.1000110.1
206K34.9Very low33.9Very low211 Ų211155.2 Ų155.292%0.91781%0.807SS**  trans-111.472.8167.1-81-172.3176.9176.40109.7K204K204-K206 PolarHBondContact O-N 3.19Å
207G36.1Very low33.7Very low64 Ų64155.4 Ų155.466%0.6681%0.808SS**  trans-115107172.800000110.6
208G31Very low33.7Very low77 Ų77161.1 Ų161.179%0.79482%0.821SS**PPolyproline II helixtrans-67.3137.3178.800000112.7R210G208-R210 PolarHBondContact O-N 3.32Å
209A31.8Very low33.6Very low104 Ų104157.8 Ų157.886%0.8681%0.813SS**PPolyproline II helixtrans-57.5117.1178.100000112.4
210R32.4Very low33.8Very low228 Ų228159.4 Ų159.486%0.8682%0.816SS**PPolyproline II helixtrans-76.1126.7167-78.8179.7158.6-173.7-4.2109.5G208G208-R210 PolarHBondContact O-N 3.32Å
211K34.2Very low33.8Very low202 Ų202156.2 Ų156.288%0.87882%0.817SS**PPolyproline II helixtrans-83.1123.7167.3-67.6-175.5178.9-174.20108.5
212F30.1Very low33.7Very low201 Ų201151.2 Ų151.288%0.88280%0.802SS**PPolyproline II helixtrans-77.8131.7168.1-68.3-90.5000109.2
213L34.1Very low33.1Very low159 Ų159157.1 Ų157.183%0.83282%0.816SS**PPolyproline II helixtrans-84.9136.4165.4-85127.1000108.4
214P30.5Very low33.2Very low91 Ų91161.1 Ų161.159%0.59181%0.811SS**PPolyproline II helixtrans-62.3135.9173.623.9-30.5000110.7Y216P214-Y216 HydrophobicContact CG-CE2 4.19Å
215I30.2Very low32.8Very low167 Ų167160.2 Ų160.286%0.85681%0.81SS**PPolyproline II helixtrans-89.5121175.4-59.4171.5000107.5
216Y28.3Very low32.8Very low200 Ų200157 Ų15778%0.78481%0.806SS**PPolyproline II helixtrans-94.2124.8173.6-61.6-86000109.5P214P214-Y216 HydrophobicContact CG-CE2 4.19Å
217K30.6Very low32.7Very low188 Ų188151.1 Ų151.182%0.81779%0.788SS**  trans-96.8110.6166-170.3176.8-179.2-1790108V219K217-V219 HydrophobicContact CD-CG2 4.46Å; K217-V219 HydrophobicContact CG-CG2 4.24Å; K217-V219 PolarHBondContact O-N 2.97Å
218K31Very low32.6Very low213 Ų213154.5 Ų154.593%0.92680%0.795SS**  trans-71.4115.8170.9-128176.8-177.2179.30107.9
219V35.4Very low32.5Very low107 Ų107159.8 Ų159.865%0.64880%0.797SS**  trans-119132.1163.8-175.40000105.9K217 G221K217-V219 HydrophobicContact CD-CG2 4.46Å; K217-V219 HydrophobicContact CG-CG2 4.24Å; K217-V219 PolarHBondContact O-N 2.97Å; V219-G221 PolarHBondContact O-N 3.33Å
220H33.6Very low32.2Very low199 Ų199158.7 Ų158.792%0.92180%0.795SS**THydrogen-bonded Turntrans-43.5132.9-176.9-90.4-93.2000113.4
221G37.1Very low31.9Very low78 Ų78151.1 Ų151.180%0.80479%0.788SS**THydrogen-bonded Turntrans111.6-36.9149.600000118.3V219V219-G221 PolarHBondContact O-N 3.33Å
222E35.4Very low31.7Very low144 Ų144148.1 Ų148.167%0.67379%0.791SS**  trans-149126.1-175.2-68-177.8167.300111.1K224E222-K224 PolarHBondContact O-N 3.1Å; E222-K224 VanDerWaalsContact O-N 3.13Å; E222-K224 IonicContact OE2-NZ 2.94Å; E222-K224 PolarHBondContact OE2-NZ 3.24Å
223E33.2Very low31.5Very low206 Ų206142.2 Ų142.296%0.96379%0.786SS**  trans-67.1106.5169.9-67.7-174.9159.500109.2
224K35.1Very low31.3Very low161 Ų161139.6 Ų139.670%0.779%0.788SS**  trans-116.9116.3167-78.9177.2179.1149.60109.8E222 V226E222-K224 PolarHBondContact O-N 3.1Å; E222-K224 VanDerWaalsContact O-N 3.13Å; E222-K224 IonicContact OE2-NZ 2.94Å; E222-K224 PolarHBondContact OE2-NZ 3.24Å; K224-V226 PolarHBondContact O-N 3.03Å
225E30.8Very low31.5Very low172 Ų172143.2 Ų143.280%0.80480%0.797SS**  trans-66.7116.8169.4-167-174.8-179.600108.8V227E225-V227 HydrophobicContact CG-CG2 3.78Å; E225-V227 VanDerWaalsContact OE1-CG2 3.25Å; E225-V227 WeakPolarHBondContact OE1-CG2 3.45Å
226V32.5Very low31.6Very low124 Ų124142.8 Ų142.875%0.75280%0.796SS**  trans-104.892.6168.7-1760000107.6K224 V228K224-V226 PolarHBondContact O-N 3.03Å; V226-V228 PolarHBondContact O-N 2.93Å
227V32.8Very low32.1Very low89 Ų89141.1 Ų141.154%0.53980%0.795SS.*  trans-79.2107.2168.6-176.40000108E225 K229E225-V227 HydrophobicContact CG-CG2 3.78Å; E225-V227 VanDerWaalsContact OE1-CG2 3.25Å; E225-V227 WeakPolarHBondContact OE1-CG2 3.45Å; V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 HydrophobicContact CG1-CG 3.88Å; V227-K229 PolarHBondContact O-N 2.92Å
228V34.9Very low32.4Very low135 Ų135141.9 Ų141.982%0.81880%0.799SS**  trans-72.990.4163.9-177.30000107.3V226 G230V226-V228 PolarHBondContact O-N 2.93Å; V228-G230 PolarHBondContact O-N 3.2Å; V228-G230 VanDerWaalsContact O-N 3.1Å
229K29Very low32.3Very low188 Ų188141 Ų14182%0.81780%0.797SS**  trans-7098.8169.7-81.7-170.9176.6177.50108.9V227V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 HydrophobicContact CG1-CG 3.88Å; V227-K229 PolarHBondContact O-N 2.92Å
230G24.9Very low32.7Very low80 Ų80141.8 Ų141.883%0.82581%0.805SS**  trans-81.7106155.900000108.8V228V228-G230 PolarHBondContact O-N 3.2Å; V228-G230 VanDerWaalsContact O-N 3.1Å
231G26.1Very low32.8Very low69 Ų69140.6 Ų140.671%0.71180%0.8SS**  trans167.294.7174.200000112.3
232C29.4Very low32.9Very low139 Ų139144 Ų14494%0.93980%0.795SS**PPolyproline II helixtrans-77.5134.4166.5-630000109.4
233G26.3Very low33.1Very low77 Ų77144.4 Ų144.479%0.79480%0.796SS**PPolyproline II helixtrans-73.9149.9175.700000112.6
234A30.8Very low33.3Very low105 Ų105142 Ų14287%0.86879%0.785SS**PPolyproline II helixtrans-102116.2157.800000106.8
235H33.5Very low33.6Very low167 Ų167143.6 Ų143.677%0.77379%0.792SS**PPolyproline II helixtrans-79.5130.5173-116.8-97.1000108.7H237H235-H237 AromaticContact ND1-CD2 3.8Å; H235-H237 AromaticContact ND1-NE2 3.48Å; H235-H237 PolarHBondContact ND1-NE2 3.41Å
236D33.1Very low33.8Very low157 Ų157138.5 Ų138.584%0.8479%0.785SS**PPolyproline II helixtrans-71.7124.6162.8-72.3-45.1000109.2
237H39.4Very low34.2Very low166 Ų166140.1 Ų140.177%0.76979%0.785SS**  trans-136.7119.1161.7-87.9-73.2000110.7H235H235-H237 AromaticContact ND1-CD2 3.8Å; H235-H237 AromaticContact ND1-NE2 3.48Å; H235-H237 PolarHBondContact ND1-NE2 3.41Å
238K36.2Very low34.4Very low204 Ų204144.5 Ų144.589%0.88779%0.792SS**  trans-67.7138.9166.6-79.8170.9168.2175.70110.5
239E29.7Very low34.6Very low193 Ų193145.9 Ų145.990%0.90279%0.789SS**  trans-62.1153.5163.4-79178.1141.600112.1
240P43.1Very low35.1Very low125 Ų125146.3 Ų146.381%0.81279%0.791SS**  trans-131.8162130.635.8-23.6000113.6
241E36.4Very low35.8Very low174 Ų174154.3 Ų154.381%0.81380%0.796SS**  trans-69.2171.6-170.4-58.4168.2146.100115.5
242H38Very low36.2Very low149 Ų149154.5 Ų154.569%0.6980%0.798SS**  trans110.2127.5139.8-98.8-85.3000120.9
243H39.3Very low36.5Very low153 Ų153152.5 Ų152.571%0.70879%0.791SS**  trans96.888153.1-68.4-65.4000122.1
244E37.4Very low36.9Very low154 Ų154155.9 Ų155.972%0.7280%0.796SS**  46.9139108.7-108.8-172.2-168.100123.7
245K41.4Very low36.9Very low195 Ų195154.7 Ų154.785%0.84879%0.794SS**  trans82.2129.3162.6-59.1170.4-1751770115.8
246G34.6Very low36.8Very low65 Ų65150.3 Ų150.367%0.6779%0.794SS**  cis162.9151.4300000108.1
247E40.9Very low36.9Very low158 Ų158151.4 Ų151.474%0.73879%0.794SS**  trans64.3143.5161.9-67.6-160.112900116.8
248R37Very low37Very low181 Ų181149.3 Ų149.368%0.68379%0.792SS**  cis-171.5151.29.2-116176.1-172.6-164.48.2107.3
249H41Very low37.2Very low165 Ų165146 Ų14676%0.76479%0.785SS**  trans98.9122.4142.2-70.118.8000121.3
250K39.2Very low37.7Very low197 Ų197145.2 Ų145.286%0.85778%0.78SS**  trans-80.9150.1178.1-60169.4173.3176.80111
251R38.6Very low37.2Very low248 Ų248146.7 Ų146.794%0.93678%0.781SS**  169.6116.5130-92.5166.1-167.1-156.74.5106.2
252G35Very low37.2Very low73 Ų73145.5 Ų145.575%0.75378%0.781SS**  92.4100.794.500000107.3
253A34.8Very low36.9Very low96 Ų96144.6 Ų144.679%0.79379%0.79SS**  110.2114.278.300000109.3
254V34.5Very low36.6Very low149 Ų149146.5 Ų146.590%0.90380%0.796SS**  trans64.1115.1142.6-168.50000119.4
255G31Very low36.3Very low79 Ų79146.4 Ų146.481%0.81481%0.805SS**  95.5117.7129.500000116.7
256G32.8Very low35.8Very low76 Ų76146.9 Ų146.978%0.78481%0.808SS**  trans153.188.1165.300000112.8V258G256-V258 PolarHBondContact O-N 2.99Å
257H34.9Very low35.4Very low180 Ų180147.5 Ų147.583%0.83381%0.814SS**  trans-73.3112.8169.8-164.7-62.7000108.4
258V42Very low34.8Very low121 Ų121147.1 Ų147.173%0.73382%0.822SS**  trans-142.5133167.2-179.50000108.1G256G256-V258 PolarHBondContact O-N 2.99Å
259D39.4Very low34.3Very low135 Ų135141.4 Ų141.472%0.72282%0.82SS**  trans-58.8131.1-175.9-57.7-60.1000112.9
260H39.5Very low33.8Very low176 Ų176140.3 Ų140.382%0.81583%0.827SS**  trans-128.6115.4160.3-91.6-68.6000109.9D262H260-D262 PolarHBondContact O-N 3.44Å
261N34.6Very low33.2Very low156 Ų156134 Ų13483%0.83482%0.818SS**  trans-52.6119.5160.9-75.7-56.7000109.3
262D36.4Very low32.8Very low150 Ų150133.7 Ų133.780%0.80282%0.818SS**  trans-152.1135.9154.5-88.7-39.3000110.6H260 K264H260-D262 PolarHBondContact O-N 3.44Å; D262-K264 PolarHBondContact O-N 3.38Å
263C30.7Very low32.8Very low129 Ų129139.7 Ų139.787%0.87283%0.827SS**  trans-36.3120.4-175.6-62.10000115.2
264K33.2Very low33Very low193 Ų193143.4 Ų143.484%0.83983%0.825SS**  trans-133.4120.1158.2-76.2-173.6179.8171.80111.4D262 K266D262-K264 PolarHBondContact O-N 3.38Å; K264-K266 PolarHBondContact O-N 3.31Å
265V31.9Very low33Very low152 Ų152142 Ų14292%0.92182%0.822SS**  trans-42.6117.81681770000109.9
266K28.9Very low33.3Very low206 Ų206146.1 Ų146.190%0.89682%0.819SS**  trans-86.4119175-76.9-172.7176177.10110.5K264K264-K266 PolarHBondContact O-N 3.31Å
267G26.7Very low33.4Very low77 Ų77150.6 Ų150.679%0.79483%0.825SS**  trans8879.4131.700000117.8
268V28.9Very low33.6Very low150 Ų150149 Ų14991%0.90982%0.822SS**PPolyproline II helixtrans-95118.6146.6-175.80000106.6
269G26.9Very low33.5Very low62 Ų62155.1 Ų155.164%0.63983%0.834SS**PPolyproline II helixtrans-69.5157.7-17700000113.8
270P29.5Very low33.8Very low142 Ų142152.4 Ų152.492%0.92283%0.83SS**PPolyproline II helixtrans-83.2135.6-167.233.5-32.6000111.9
271G27.9Very low33.8Very low64 Ų64147.8 Ų147.866%0.6683%0.83SS**  trans-15865.3176.800000111.8
272Y28.6Very low34.3Very low241 Ų241149.1 Ų149.195%0.94583%0.828SS**  trans-131.4108.7165.7-68-81.2000108.1
273E36.1Very low34.3Very low199 Ų199151.9 Ų151.993%0.9383%0.834SS**  trans-108.6131.1167.3-154169.8-159.200109.4
274K39.3Very low34.6Very low175 Ų175155.8 Ų155.876%0.76184%0.836SS**  trans-64.7130.4-164.8-64.7164.1176.1175.90112.1
275S34.1Very low34.8Very low119 Ų119149 Ų14983%0.83282%0.821SS**  trans-84.7112156.655.60000109.2
276H37.9Very low34.8Very low165 Ų165145.6 Ų145.676%0.76482%0.817SS**PPolyproline II helixtrans-73.1136.6168.4-78.7-107.5000110.4
277L34.4Very low34.9Very low171 Ų171140.4 Ų140.490%0.89581%0.812SS**PPolyproline II helixtrans-81.7122.7174.7-94.6150.6000110.1
278D39.4Very low35.2Very low146 Ų146147.1 Ų147.178%0.78181%0.814SS**PPolyproline II helixtrans-88133.7167.2-80.4-21.1000111A280D278-A280 PolarHBondContact O-N 3.05Å
279Y38.2Very low35.6Very low249 Ų249149.9 Ų149.998%0.97681%0.813SS**THydrogen-bonded Turntrans-68.223.6-175.6-122.9-93.6000115.3
280A47.7Very low35.7Very low78 Ų78155.3 Ų155.365%0.64582%0.82SS**THydrogen-bonded Turntrans-126.48.9-170.400000115.8D278 K282D278-A280 PolarHBondContact O-N 3.05Å; A280-K282 VanDerWaalsContact C-N 3.33Å; A280-K282 PolarHBondContact O-N 3.23Å; A280-K282 VanDerWaalsContact O-N 3.14Å
281G39.5Very low35.9Very low79 Ų79156 Ų15681%0.81482%0.815SS**  trans59.331.8165.800000116.2
282K44.3Very low35.9Very low184 Ų184157.5 Ų157.580%0.881%0.813SS**  trans-127.5105.3175-67.7-170.4-177.2-1790111.7A280 K284A280-K282 VanDerWaalsContact C-N 3.33Å; A280-K282 PolarHBondContact O-N 3.23Å; A280-K282 VanDerWaalsContact O-N 3.14Å; K282-K284 PolarHBondContact O-N 3.25Å
283F35.3Very low36Very low209 Ų209153.9 Ų153.992%0.91781%0.808SS**  trans-68.3108170.6-127.2-95.8000109.6
284K38Very low35.6Very low210 Ų210154.1 Ų154.191%0.91380%0.802SS**  trans-104.477.9164.9-78.8-169.8177177.60109.1K282K282-K284 PolarHBondContact O-N 3.25Å
285G36.9Very low35.1Very low52 Ų52154.8 Ų154.854%0.53681%0.808SS.*  trans-144.7109.4174.100000109.9A287G285-A287 PolarHBondContact O-N 3.21Å
286G31.5Very low35Very low80 Ų80158.4 Ų158.483%0.82581%0.808SS**  trans-62.3128.2-178.300000112.1R288G286-R288 PolarHBondContact O-N 2.93Å
287A31.9Very low34.9Very low96 Ų96159.4 Ų159.479%0.79381%0.813SS**  trans-58.1122.5177.800000111.7G285 K289G285-A287 PolarHBondContact O-N 3.21Å; A287-K289 PolarHBondContact O-N 3.04Å
288R33.6Very low34.7Very low219 Ų219158 Ų15883%0.82681%0.811SS**  trans-68.8109.6163.4-70.2174.290.1179.95.1107.4G286 F290G286-R288 PolarHBondContact O-N 2.93Å; R288-F290 PolarHBondContact O-N 3.26Å
289K36.6Very low34.6Very low207 Ų207155.8 Ų155.890%0.981%0.808SS**  trans-69.1109.2166.6-69.9-176.4178.1-176.50108.3A287A287-K289 PolarHBondContact O-N 3.04Å
290F29.9Very low34.5Very low177 Ų177152.9 Ų152.978%0.77680%0.803SS**PPolyproline II helixtrans-74.2131.6159.1-75-91.3000107.9R288R288-F290 PolarHBondContact O-N 3.26Å
291L32.5Very low33.7Very low157 Ų157158.4 Ų158.482%0.82282%0.815SS**PPolyproline II helixtrans-65.3132.3164.1-82.3154.9000107.3I293L291-I293 PolarHBondContact O-N 3.24Å; L291-I293 VanDerWaalsContact O-N 3.15Å
292P29Very low33.4Very low95 Ų95165.9 Ų165.962%0.61782%0.819SS**PPolyproline II helixtrans-61.2119.7170.28.5-6.1000108.6Y294P292-Y294 PolarHBondContact O-N 3.44Å
293I29.7Very low32.7Very low165 Ų165165.8 Ų165.885%0.84682%0.821SS**  trans-75112.4166-54.9175.1000105.1L291 Q295L291-I293 PolarHBondContact O-N 3.24Å; L291-I293 VanDerWaalsContact O-N 3.15Å; I293-Q295 PolarHBondContact O-N 3.48Å
294Y28.5Very low32.4Very low204 Ų204162.4 Ų162.480%0.882%0.818SS**  trans-73.2117.9170-74.6-87.3000108.2P292 K296P292-Y294 PolarHBondContact O-N 3.44Å; Y294-K296 PolarHBondContact O-N 3.23Å
295Q28Very low32.1Very low188 Ų188158 Ų15888%0.87981%0.808SS**  trans-64.1119159.3-107.2172.7-16.300107.4I293 E297I293-Q295 PolarHBondContact O-N 3.48Å; Q295-E297 PolarHBondContact O-N 3Å
296K33Very low32Very low195 Ų195162.2 Ų162.285%0.84882%0.823SS**  trans-81.7102.9169.8-151.5-179.9-173.5-173.60106.2Y294 V298Y294-K296 PolarHBondContact O-N 3.23Å; K296-V298 PolarHBondContact O-N 2.92Å
297E35.9Very low32.1Very low186 Ų186167.8 Ų167.887%0.86983%0.825SS**  trans-65.1122.2164-78179.916100108Q295Q295-E297 PolarHBondContact O-N 3Å
298V28.9Very low31.6Very low141 Ų141167.1 Ų167.186%0.85583%0.828SS**  trans-90.5108.7171.3-175.60000105.8K296K296-V298 PolarHBondContact O-N 2.92Å
299S37.6Very low31.2Very low101 Ų101160.6 Ų160.671%0.70683%0.828SS**  trans-100.8120.9173.360.90000109.7
300E37.1Very low30.7Very low187 Ų187157.5 Ų157.587%0.87483%0.831SS**  trans58.6107.3147.8-66.1178.5168.800118.6
301E30Very low30.7Very low194 Ų194152.5 Ų152.591%0.90783%0.829SS**  trans-51.9134.7159.8-61.3170.2155.500111.3
302R33.3Very low30.6Very low236 Ų236149.7 Ų149.789%0.89183%0.829SS**  trans-118.7113.2154.3-83.6-171.5170.5-167.6-2.8108.2V304R302-V304 PolarHBondContact O-N 3.16Å
303E30.6Very low30.8Very low182 Ų182156.7 Ų156.785%0.8584%0.843SS**  trans-54.9128.1161.4-79.6-177.9131.200109.6
304V29.1Very low31.1Very low138 Ų138155.9 Ų155.984%0.83684%0.84SS**  trans-108.4103.5160.8-178.40000106.2R302R302-V304 PolarHBondContact O-N 3.16Å
305V30.2Very low31.7Very low118 Ų118155 Ų15572%0.71584%0.843SS**  trans-127.6100.1165.5179.60000106.7
306V34.3Very low32.2Very low140 Ų140155.6 Ų155.685%0.84884%0.843SS**  trans-135.8122.2160.8-175.50000109.6
307K34.2Very low32.2Very low197 Ų197155.2 Ų155.286%0.85784%0.844SS**  trans-58.4147179.5-73.4173.3170.5174.40112.3
308G22.6Very low32.6Very low83 Ų83151.9 Ų151.986%0.85684%0.839SS**  trans-66.9160.2168.200000113.8
309G25.2Very low32.9Very low81 Ų81153.3 Ų153.384%0.83584%0.836SS**  trans161.6106.8171.100000111.6
310C25.3Very low32.7Very low143 Ų143156 Ų15697%0.96684%0.837SS**  trans-69.7146.3174.6-64.10000112
311G30.2Very low32.8Very low72 Ų72156.2 Ų156.274%0.74284%0.837SS**  trans164.388.7165.800000115.8
312A29.4Very low32.9Very low98 Ų98155.2 Ų155.281%0.8183%0.833SS**  trans39134136.500000122.9
313R33.8Very low33.1Very low241 Ų241154 Ų15491%0.90983%0.834SS**  trans100.3124.8146.3-74.8-178.4176.5178.5-0.5119.5
314D36.2Very low33.1Very low149 Ų149154.2 Ų154.280%0.79784%0.835SS**  trans-59.9139.7175.6-51.5-70.5000113.7
315H41.1Very low33.4Very low185 Ų185155.8 Ų155.886%0.85683%0.833SS**  trans-152.5119.2147-84.9-62000111.5
316K37.9Very low33.5Very low201 Ų201160.7 Ų160.787%0.87484%0.839SS**  trans10.8131.1148.6-83.6172167.7177.20120.7
317E34Very low33.4Very low187 Ų187163.6 Ų163.687%0.87484%0.843SS**  trans-39151.8152.2-93.8178.5155.600115
318P43.8Very low33.5Very low116 Ų116163.1 Ų163.175%0.75384%0.841SS**  -147.3152.987.636.2-16.7000117.7
319E35.4Very low33.9Very low171 Ų171170.8 Ų170.880%0.79984%0.844SS**  trans25.4145.7140.7-61.8-173.3166.400124.5
320H33.7Very low34.1Very low156 Ų156170.7 Ų170.772%0.72284%0.843SS**  trans71.5106.7153.1-95.2-83.3000118.7
321H37.9Very low34.2Very low192 Ų192169.5 Ų169.589%0.88983%0.831SS**  -165.6117.3124-101.1-64.3000110.9
322E32.5Very low34.1Very low174 Ų174172.4 Ų172.481%0.81384%0.835SS**  trans-56.9135.4162.7-63.9175.2145.200110
323K37.5Very low34.2Very low209 Ų209173 Ų17391%0.90983%0.828SS**  trans-154.9118.1151.2-106.8168.4-167.8-178.60109.6
324E31.5Very low34.1Very low188 Ų188166.7 Ų166.788%0.87982%0.816SS**  trans-47139168.5-60.5170.5117.500111.8
325E34.9Very low34Very low171 Ų171164.5 Ų164.580%0.79981%0.812SS**  trans-163.2106.8139.5-112.9177.3174.100113.6
326R31.2Very low33.6Very low220 Ų220163.3 Ų163.383%0.8381%0.807SS**  trans57.585.6135.4-69.8177.4170.3179-2118.9K328R326-K328 PolarHBondContact O-N 3.35Å
327H32.1Very low33.4Very low202 Ų202161.2 Ų161.294%0.93581%0.805SS**  trans-69.8118.6150.4-78.8-72.7000111.6
328K37.6Very low33.4Very low187 Ų187158.8 Ų158.881%0.81380%0.798SS**  trans-97.9125.7161.2-83.7178.5178.7172.40109.3R326R326-K328 PolarHBondContact O-N 3.35Å
329R31.6Very low32.9Very low243 Ų243162 Ų16292%0.91780%0.802SS**SBendtrans88.691.9158.5-59.1177.2-179.5-174.71117.8
330G27.5Very low32.7Very low80 Ų80161.7 Ų161.783%0.82580%0.801SS**  90.757.711700000117.8
331V28.2Very low32.5Very low117 Ų117161.4 Ų161.471%0.70981%0.805SS**  trans-129.2113.7159.7-179.90000107.8V333V331-V333 HydrophobicContact CG1-CG2 4.1Å
332V29.1Very low32.1Very low134 Ų134158.2 Ų158.281%0.81280%0.802SS**  trans-87.3114170.5176.60000107.2V334V332-V334 HydrophobicContact CG1-CG2 3.93Å
333V29.9Very low31.9Very low110 Ų110159.2 Ų159.267%0.66780%0.804SS**  trans-98120170.1-179.90000106.7V331V331-V333 HydrophobicContact CG1-CG2 4.1Å
334V33.5Very low31.5Very low108 Ų108155.8 Ų155.866%0.65581%0.805SS**  trans-108.2116.9171.1-176.60000108.2V332V332-V334 HydrophobicContact CG1-CG2 3.93Å
335S33.6Very low31.2Very low103 Ų103156.7 Ų156.772%0.7281%0.806SS**  trans-75.4136.5166.9-39.40000109.1
336H31.7Very low30.9Very low161 Ų161152.3 Ų152.375%0.74581%0.806SS**  trans-82.2127.3172.8-90.4-74.7000109.2
337D34.7Very low30.8Very low156 Ų156149 Ų14983%0.83481%0.81SS**  trans-128.9132.5145.4-79.5-49.1000107.4
338D32.8Very low30.6Very low136 Ų136141.9 Ų141.973%0.72779%0.792SS**  trans-55.9132.5-179.3-58.4-62.2000110.7
339H35Very low30.1Very low183 Ų183139.8 Ų139.885%0.84780%0.797SS**  trans169.9145133-91.2-70000110.9
340H31Very low29.9Very low165 Ų165131.3 Ų131.376%0.76479%0.785SS**  trans-46.3151.2-176.5-79.3-96.7000115.9
341D28.2Very low30.1Very low151 Ų151136.7 Ų136.781%0.80778%0.782SS**  trans70.387.6159.4-51.6-30000117.4
342C30.4Very low30.5Very low124 Ų124140.2 Ų140.284%0.83879%0.791SS**  trans-145.6126.8155.8-146.70000115.5C344C342-C344 PolarHBondContact O-N 3.31Å
343K27.9Very low30.8Very low195 Ų195142.5 Ų142.585%0.84879%0.79SS**  trans-63.3108.8172.6-66.6162.7177168.10109.9K345K343-K345 PolarHBondContact O-N 3.42Å
344C29.2Very low31.2Very low137 Ų137140.8 Ų140.893%0.92678%0.783SS**  trans-73.392.9170.4-70.50000111.2C342C342-C344 PolarHBondContact O-N 3.31Å
345K25.8Very low31.5Very low207 Ų207142.8 Ų142.890%0.978%0.784SS**  trans-90.4126.4151.9-78.4-178.4175.8179.40107.8K343K343-K345 PolarHBondContact O-N 3.42Å
346G28.3Very low31.8Very low79 Ų79143.2 Ų143.281%0.81478%0.778SS**  trans16999.3170.700000113
347V28.8Very low32.9Very low151 Ų151138 Ų13892%0.91576%0.756SS**  trans-101128.2177.3-1720000108.4
348G27.3Very low33.5Very low53 Ų53142.6 Ų142.655%0.54676%0.763SS.*  trans-114.2145.2165.800000110.6
349P27.4Very low35Very low143 Ų143139.6 Ų139.693%0.92976%0.757SS**SBendtrans-82.6126-160.832.5-32.2000112.1
350G28.7Very low36.2Very low64 Ų64133.3 Ų133.366%0.6674%0.742SS**  trans164.56.2173.500000118.5
351Y31.2Very low37.3Very low194 Ų194131.6 Ų131.676%0.76173%0.734SS**  trans-132.7122.5-172.3-63.3-83.4000112.9
352E35.6Very low38.1Very low191 Ų191131.1 Ų131.189%0.89373%0.725SS**  trans-62.7129.1173.1-161.3171.9-166.400109.8S354E352-S354 PolarHBondContact O-N 3.42Å
353K36.4Very low38.7Very low182 Ų182133.6 Ų133.679%0.79172%0.722SS**  trans-57115.9-173.9-69.4172.9177.5176.50111.4
354S38.4Very low39.6Very low74 Ų74126.9 Ų126.952%0.51771%0.707SS.*PPolyproline II helixtrans-78.9118.2160.352.90000109.2E352 F362E352-S354 PolarHBondContact O-N 3.42Å; S354-F362 VanDerWaalsContact OG-CE1 3.24Å; S354-F362 WeakPolarHBondContact OG-CE1 3.5Å
355H39.2Very low40Very low149 Ų149123.7 Ų123.769%0.6970%0.698SS**PPolyproline II helixtrans-85.1129.6172.2-73.2-95000110
356L40.4Very low40.4Very low112 Ų112119 Ų11959%0.58670%0.698SS**BIsolated β-bridgetrans-72.9136.8165.6-84.5150.2000108.9F362L356-F362 HydrophobicContact CD2-CD2 4.18Å; L356-F362 HydrophobicContact CD2-CE2 4.36Å
357D53.3Low40.8Very low51 Ų51124.2 Ų124.227%0.27369%0.693SS.*PPolyproline II helixtrans-80.1165.7166.261.820.2000111.2A359 G360 H361D357-A359 PolarHBondContact O-N 3.2Å; D357-A359 PolarHBondContact OD1-N 3.06Å; D357-G360 PolarHBondContact O-N 3.23Å; D357-G360 PolarHBondContact OD1-N 3.44Å; D357-H361 WeakPolarHBondContact OD1-CA 3.45Å; D357-H361 WeakPolarHBondContact OD1-CB 3.48Å; D357-H361 PolarHBondContact OD1-N 2.78Å
358Y48.4Very low41.4Very low254 Ų254126.8 Ų126.8100%0.99669%0.692SS**THydrogen-bonded Turntrans-59.1-10.6-178.8-120.1-91000113.8
359A63.2Low41.9Very low73 Ų73133.7 Ų133.760%0.60371%0.707SS**THydrogen-bonded Turntrans-103.13.5178.800000113.3D357D357-A359 PolarHBondContact O-N 3.2Å; D357-A359 PolarHBondContact OD1-N 3.06Å
360G61.1Low42.5Very low51 Ų51134.4 Ų134.453%0.52670%0.702SS.*SBendtrans75.520.6178.800000114.4D357D357-G360 PolarHBondContact O-N 3.23Å; D357-G360 PolarHBondContact OD1-N 3.44Å
361H54.4Low42.9Very low128 Ų128134.9 Ų134.959%0.59369%0.693SS**  trans-98.6130.6178.1-66.9-28.4000112.2D357 K363D357-H361 WeakPolarHBondContact OD1-CA 3.45Å; D357-H361 WeakPolarHBondContact OD1-CB 3.48Å; D357-H361 PolarHBondContact OD1-N 2.78Å; H361-K363 PolarHBondContact O-N 3.3Å
362F43.9Very low43.7Very low142 Ų142132.4 Ų132.462%0.62369%0.692SS**BIsolated β-bridgetrans-73.6106172.6-110.3-96.5000109.8S354 L356 G364S354-F362 VanDerWaalsContact OG-CE1 3.24Å; S354-F362 WeakPolarHBondContact OG-CE1 3.5Å; L356-F362 HydrophobicContact CD2-CD2 4.18Å; L356-F362 HydrophobicContact CD2-CE2 4.36Å; F362-G364 PolarHBondContact O-N 3.24Å
363K44.8Very low43.7Very low176 Ų176130 Ų13077%0.76568%0.676SS**  trans-84.880.6165.7-79.6-177.8-179.9170.50109.9H361H361-K363 PolarHBondContact O-N 3.3Å
364G46.1Very low44.1Very low53 Ų53126.9 Ų126.955%0.54666%0.662SS.*SBendtrans-162119174.500000110.2F362F362-G364 PolarHBondContact O-N 3.24Å
365G37.5Very low44.3Very low71 Ų71131 Ų13173%0.73267%0.671SS**  trans-56.5143.3-176.300000113.1R367G365-R367 PolarHBondContact O-N 3.49Å
366A33.2Very low44.6Very low108 Ų108128.3 Ų128.389%0.89366%0.664SS**  trans-47.3108.2-177.100000112.3
367R38.6Very low44.5Very low189 Ų189132 Ų13271%0.71368%0.679SS**PPolyproline II helixtrans-83.9124.7168.3-79.3-178.3155.9-167.4-4.5108.4G365 F369G365-R367 PolarHBondContact O-N 3.49Å; R367-F369 PolarHBondContact O-N 3.05Å
368K39.7Very low44Very low204 Ų204133.8 Ų133.889%0.88771%0.708SS**PPolyproline II helixtrans-64.1120.7169.3-65.7-177.6177.6-174.20108.2
369F39Very low43.6Very low199 Ų199127.3 Ų127.387%0.87369%0.687SS**PPolyproline II helixtrans-72.8135.4170.2-68.4-90000109.1R367R367-F369 PolarHBondContact O-N 3.05Å
370L39.6Very low42.4Very low157 Ų157131.4 Ų131.482%0.82269%0.694SS**PPolyproline II helixtrans-72.8136.4165.6-76.9155.4000108I372L370-I372 PolarHBondContact O-N 2.79Å
371P38.1Very low41.4Very low74 Ų74135.4 Ų135.448%0.48170%0.697SS.*PPolyproline II helixtrans-61134.4176.822.9-30.3000110.6Y373P371-Y373 HydrophobicContact CB-CE2 4.27Å; P371-Y373 HydrophobicContact CG-CE2 4.12Å
372I46.2Very low40.7Very low142 Ų142136 Ų13673%0.72870%0.7SS**PPolyproline II helixtrans-97.3121172.8-58.2173.9000106.8L370L370-I372 PolarHBondContact O-N 2.79Å
373Y37.4Very low40.8Very low140 Ų140133.1 Ų133.155%0.54969%0.694SS.*EExtended strand (participates in β ladder)trans-92126.3175.6-62.1-86.9000109.7P371P371-Y373 HydrophobicContact CB-CE2 4.27Å; P371-Y373 HydrophobicContact CG-CE2 4.12Å
374K44.2Very low40.7Very low117 Ų117130.9 Ų130.951%0.50969%0.69SS.*EExtended strand (participates in β ladder)trans-99.6116.7168.5-170.2176.1-176.4177.30107.9V376K374-V376 HydrophobicContact CD-CG2 4.48Å; K374-V376 HydrophobicContact CG-CG2 4.26Å
375K42.3Very low40.5Very low162 Ų162134.1 Ų134.170%0.70470%0.698SS**EExtended strand (participates in β ladder)trans-79.7119.1174.1-133.1174.3-172.8176.30108.4
376V46.2Very low40.6Very low91 Ų91139.7 Ų139.755%0.55270%0.702SS**EExtended strand (participates in β ladder)trans-124118.7169.2-176.50000106K374 G378K374-V376 HydrophobicContact CD-CG2 4.48Å; K374-V376 HydrophobicContact CG-CG2 4.26Å; V376-G378 PolarHBondContact O-N 2.98Å
377H38.1Very low40.3Very low191 Ų191138.2 Ų138.288%0.88470%0.698SS**THydrogen-bonded Turntrans2388.3174.7-81.7-82.6000116.4E379H377-E379 VanDerWaalsContact C-N 3.27Å; H377-E379 PolarHBondContact O-N 3.27Å
378G42.7Very low39.8Very low87 Ų87132.1 Ų132.190%0.89769%0.694SS**THydrogen-bonded Turntrans76.5-11.3161.800000117.8V376V376-G378 PolarHBondContact O-N 2.98Å
379E39.9Very low39.4Very low118 Ų118129 Ų12955%0.55170%0.696SS**EExtended strand (participates in β ladder)trans-125.8125.3178.3-68.7-173.5164.100111.7H377 K381H377-E379 VanDerWaalsContact C-N 3.27Å; H377-E379 PolarHBondContact O-N 3.27Å; E379-K381 PolarHBondContact O-N 3.39Å; E379-K381 VanDerWaalsContact OE2-CE 3.22Å; E379-K381 WeakPolarHBondContact OE2-CE 3.42Å; E379-K381 IonicContact OE2-NZ 3.75Å; E379-K381 PolarHBondContact OE2-NZ 2.96Å
380E38.5Very low38.9Very low160 Ų160122.6 Ų122.675%0.74869%0.687SS**EExtended strand (participates in β ladder)trans-77.1109.3170.7-66.6-174.516500109.4
381K40.1Very low38.5Very low134 Ų134120 Ų12058%0.58369%0.687SS**EExtended strand (participates in β ladder)trans-112127.4171-72.2-179.9-177.5159.40110.1E379 V383E379-K381 PolarHBondContact O-N 3.39Å; E379-K381 VanDerWaalsContact OE2-CE 3.22Å; E379-K381 WeakPolarHBondContact OE2-CE 3.42Å; E379-K381 IonicContact OE2-NZ 3.75Å; E379-K381 PolarHBondContact OE2-NZ 2.96Å; K381-V383 PolarHBondContact O-N 3.07Å
382E39.1Very low38.3Very low141 Ų141124.6 Ų124.666%0.65970%0.702SS**EExtended strand (participates in β ladder)trans-68.3116.2173.7-169.9177.8-177.700109.1
383V45.2Very low37.7Very low81 Ų81126.5 Ų126.549%0.49171%0.708SS.*  trans-103.3101.3173.7-177.20000108.1K381 V385K381-V383 PolarHBondContact O-N 3.07Å; V383-V385 HydrophobicContact CG1-CG2 4.25Å; V383-V385 PolarHBondContact O-N 3.44Å; V383-V385 VanDerWaalsContact O-N 3.09Å
384L42.2Very low37.7Very low130 Ų130127.7 Ų127.768%0.68172%0.718SS**  trans-7595.7173.2-167.982000109.5K386L384-K386 HydrophobicContact CD2-CG 4.08Å; L384-K386 PolarHBondContact O-N 3.23Å
385V42.4Very low37.3Very low121 Ų121130.5 Ų130.573%0.73373%0.73SS**  trans-74.396.2170.1-1760000108.4V383 G387V383-V385 HydrophobicContact CG1-CG2 4.25Å; V383-V385 PolarHBondContact O-N 3.44Å; V383-V385 VanDerWaalsContact O-N 3.09Å; V385-G387 VanDerWaalsContact C-N 3.28Å; V385-G387 PolarHBondContact O-N 3.34Å
386K39.1Very low37Very low187 Ų187128.2 Ų128.281%0.81373%0.732SS**  trans-70.185.9168.7-84-174.7176.6175.50109.5L384 G388L384-K386 HydrophobicContact CD2-CG 4.08Å; L384-K386 PolarHBondContact O-N 3.23Å; K386-G388 PolarHBondContact O-N 3Å; K386-G388 VanDerWaalsContact O-N 3.13Å
387G27.4Very low36.6Very low77 Ų77134.5 Ų134.579%0.79475%0.746SS**  trans-74.389.2161.700000109.6V385V385-G387 VanDerWaalsContact C-N 3.28Å; V385-G387 PolarHBondContact O-N 3.34Å
388G28.6Very low36.7Very low62 Ų62133.7 Ų133.764%0.63974%0.742SS**  trans-146.2121.9172.300000109.2K386 G390K386-G388 PolarHBondContact O-N 3Å; K386-G388 VanDerWaalsContact O-N 3.13Å; G388-G390 PolarHBondContact O-N 2.91Å
389C30.7Very low36.8Very low138 Ų138138 Ų13893%0.93274%0.739SS**  trans-54.5104.2178.8-61.20000110.2A391C389-A391 PolarHBondContact O-N 2.75Å
390G28.8Very low36.9Very low65 Ų65140.1 Ų140.167%0.6775%0.748SS**  trans-65.3114.2162.300000107.7G388 H392G388-G390 PolarHBondContact O-N 2.91Å; G390-H392 VanDerWaalsContact C-N 3.31Å; G390-H392 PolarHBondContact O-N 3.47Å
391A31.1Very low37.2Very low101 Ų101137.6 Ų137.684%0.83574%0.744SS**  trans-59.199.6162.800000107.1C389 E393C389-A391 PolarHBondContact O-N 2.75Å; A391-E393 PolarHBondContact O-N 3.31Å
392H33.4Very low37.4Very low172 Ų172139.7 Ų139.780%0.79676%0.755SS**  trans-67.1112.3165.4-104.9-85.4000106.8G390 H394G390-H392 VanDerWaalsContact C-N 3.31Å; G390-H392 PolarHBondContact O-N 3.47Å; H392-H394 PolarHBondContact O-N 2.84Å
393E34.8Very low37.6Very low181 Ų181141.1 Ų141.185%0.84676%0.761SS**  trans-55.2103.6161-71.9179.6164.700107.6A391 K395A391-E393 PolarHBondContact O-N 3.31Å; E393-K395 PolarHBondContact O-N 3.01Å
394H36.5Very low37.6Very low165 Ų165141.5 Ų141.576%0.76477%0.773SS**  trans-64.1104.7165.7-97.3-94.7000107.2H392H392-H394 PolarHBondContact O-N 2.84Å
395K36.7Very low38Very low176 Ų176140.4 Ų140.477%0.76577%0.774SS**  trans-54.1135161.1-73.8-179.6177.6178.60108E393 W397E393-K395 PolarHBondContact O-N 3.01Å; K395-W397 PolarHBondContact O-N 3.18Å
396P35.2Very low37.9Very low115 Ų115142.8 Ų142.875%0.74778%0.777SS**  trans-63115.8174.724.9-29.4000107.5H398P396-H398 PolarHBondContact O-N 3.21Å; P396-H398 VanDerWaalsContact O-N 3.16Å
397W39.1Very low38.3Very low222 Ų222143.9 Ų143.984%0.84178%0.777SS**  trans-66.6114.5168.3-74.473.6000106.5K395 H399K395-W397 PolarHBondContact O-N 3.18Å; W397-H399 PolarHBondContact O-N 3.2Å
398H39.9Very low39Very low174 Ų174147.9 Ų147.981%0.80678%0.775SS**  trans-53.8110.9167-93.7-90.1000107.9P396 H400P396-H398 PolarHBondContact O-N 3.21Å; P396-H398 VanDerWaalsContact O-N 3.16Å; H398-H400 VanDerWaalsContact C-N 3.33Å; H398-H400 PolarHBondContact O-N 3.21Å
399H43.4Very low40.3Very low178 Ų178155.3 Ų155.382%0.82478%0.784SS**  trans-6198.7165.2-84.6-86.1000107.6W397 V401W397-H399 PolarHBondContact O-N 3.2Å; H399-V401 PolarHBondContact O-N 3.45Å; H399-V401 VanDerWaalsContact O-N 3.07Å
400H43.7Very low41Very low162 Ų162157.8 Ų157.875%0.7578%0.782SS**  trans-67.7104.5159-91.7-64.4000107.3H398 H402H398-H400 VanDerWaalsContact C-N 3.33Å; H398-H400 PolarHBondContact O-N 3.21Å; H400-H402 PolarHBondContact O-N 3.34Å
401V43.2Very low42.2Very low107 Ų107162 Ų16265%0.64878%0.784SS**  trans-56.4102.9166.4177.50000107.4H399 H403H399-V401 PolarHBondContact O-N 3.45Å; H399-V401 VanDerWaalsContact O-N 3.07Å; V401-H403 PolarHBondContact O-N 3.14Å
402H44.6Very low43.1Very low179 Ų179166.3 Ų166.383%0.82978%0.784SS**  trans-75.6100.1162.3-81.8-78.5000107.4H400 A404H400-H402 PolarHBondContact O-N 3.34Å; H402-A404 PolarHBondContact O-N 3.43Å
403H44.3Very low44Very low170 Ų170166 Ų16679%0.78778%0.783SS**  trans-58.7113.2162.3-80.3-81000108.4V401V401-H403 PolarHBondContact O-N 3.14Å
404A44.1Very low44.9Very low89 Ų89164.1 Ų164.174%0.73677%0.774SS**  trans-70.5137.1166.800000109.1H402 H406H402-A404 PolarHBondContact O-N 3.43Å; A404-H406 PolarHBondContact O-N 2.85Å
405P50.9Low45.6Very low107 Ų107163.3 Ų163.370%0.69577%0.771SS**  trans-73.1126.7176.828.9-30.3000110Y407P405-Y407 HydrophobicContact CB-CD2 4.39Å; P405-Y407 HydrophobicContact CB-CE2 4.27Å; P405-Y407 HydrophobicContact CG-CE2 4.41Å; P405-Y407 PolarHBondContact O-N 2.8Å
406H41Very low46.4Very low171 Ų171165.3 Ų165.379%0.79277%0.773SS**  trans-66.3113.5170-147.6-96.7000108.1A404A404-H406 PolarHBondContact O-N 2.85Å
407Y48Very low47.5Very low210 Ų210171.8 Ų171.882%0.82479%0.793SS**  trans-110.6106.3165.7-89-83.2000108.1P405P405-Y407 HydrophobicContact CB-CD2 4.39Å; P405-Y407 HydrophobicContact CB-CE2 4.27Å; P405-Y407 HydrophobicContact CG-CE2 4.41Å; P405-Y407 PolarHBondContact O-N 2.8Å
408E41.1Very low47.9Very low162 Ų162169.3 Ų169.376%0.75779%0.791SS**  trans-65.7128162.8-70.5172.9156.800108.7
409W55.8Low48.3Very low218 Ų218169.1 Ų169.183%0.82679%0.79SS**  trans-136.696.2156.9-134.652000107.5E411W409-E411 WeakPolarHBondContact CH2-OE2 3.34Å; W409-E411 WeakPolarHBondContact CZ3-OE2 3.46Å
410E45.6Very low48.6Very low189 Ų189168.6 Ų168.688%0.88379%0.788SS**  trans-66.3122.1158.9-72.1-174.1139.500107.8
411E54.6Low48.9Very low153 Ų153168.9 Ų168.972%0.71579%0.79SS**  trans-145.2114149.1-129.5174.8-172.200109.6W409W409-E411 WeakPolarHBondContact CH2-OE2 3.34Å; W409-E411 WeakPolarHBondContact CZ3-OE2 3.46Å
412K50.2Low49.3Very low193 Ų193172.8 Ų172.884%0.83980%0.799SS**  trans-59.1153.2167.9-74.9169.6173.9168.70110
413H51.7Low49.6Very low166 Ų166172.4 Ų172.477%0.76980%0.797SS**  trans148.8143.7143.9-83.2-78.2000105.9
414E53.9Low50Low140 Ų140172.6 Ų172.665%0.65480%0.798SS**  cis-178.8138.9-15.9-179.4163.5-154.400102.9
415E50.6Low50.4Low149 Ų149179 Ų17970%0.69680%0.803SS**  trans46.6117.5155-67.5-175151.300121.7
416R54.5Low50.4Low217 Ų217185 Ų18582%0.81981%0.812SS**  159.2103.8112.2-93.8176.8-98.5-142.7-8.2111
417H57.4Low51.2Low252 Ų252186.3 Ų186.3100%1.16781%0.813SS**  165.50104.9-118.2-69000111.8

Retrieved 417 of 417 residues in 170.9 ms (Link to these results)