A0A077Z1A4_TRITR Loading...

Winged helix:forkhead transcription factor

AlphaFold DB , UniProt , Accession A0A077Z1A4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 490 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
1M45.9Very low41.4Very low243 Ų243146.1 Ų146.1100%1.19778%0.777SS**  069.40-42.7-57.9-89.600107.2
2G41.3Very low40.9Very low61 Ų61143.4 Ų143.463%0.62977%0.774SS**  cis101.998.834.100000107.3
3E42.1Very low40.9Very low172 Ų172142.2 Ų142.280%0.80478%0.775SS**  90.1144120.3-66.5-172.3112.400112.5
4Q42.4Very low40.4Very low142 Ų142145 Ų14566%0.66479%0.787SS**  cis-160.2151.4-2.3-122.6-172.43700110.8
5T46.5Very low40.2Very low93 Ų93145.5 Ų145.557%0.57179%0.788SS**  trans59.3120.113857.10000121.9
6E43.5Very low39.8Very low189 Ų189145 Ų14588%0.88379%0.785SS**  92.4139.290.6-73.6179.3134.900113.2
7G42.3Very low39.7Very low69 Ų69143.9 Ų143.971%0.71179%0.787SS**  cis166.3157.8-7.600000112.5
8R39.1Very low39.5Very low229 Ų229145.4 Ų145.486%0.86479%0.79SS**  trans60.5158.4169.1-87.5-176.8155.7140.4-6.2117E10R8-E10 IonicContact NE-OE1 2.71Å
9S40.3Very low38.9Very low96 Ų96143.4 Ų143.467%0.67179%0.788SS**  cis-171.6152.5-644.90000109
10E37.9Very low38.6Very low144 Ų144144.7 Ų144.767%0.67379%0.793SS**  cis-165.4147.4-12.3-106.9148.9-122.900109.4R8R8-E10 IonicContact NE-OE1 2.71Å
11L34.7Very low38.1Very low169 Ų169142.8 Ų142.889%0.88579%0.79SS**  trans70.3148.7172.1-86.1104000122.9
12P35.2Very low37.4Very low114 Ų114135.3 Ų135.374%0.7476%0.761SS**  trans-108.9149.4-164.337.9-26.1000115.7
13T40.7Very low37Very low127 Ų127139.3 Ų139.378%0.77977%0.768SS**  trans-69.7138.9167.1240000112.3L15T13-L15 PolarHBondContact O-N 3.34Å
14L33.8Very low36.7Very low182 Ų182137.9 Ų137.995%0.95377%0.766SS**  trans-62.3130.4164.9-79.8169.4000109.6
15L38Very low36.3Very low152 Ų152137.3 Ų137.380%0.79677%0.767SS**  trans-109152.9174.8-80.4167.9000111.3T13T13-L15 PolarHBondContact O-N 3.34Å
16D33.1Very low35.5Very low138 Ų138140.1 Ų140.174%0.73878%0.778SS**  trans-64.5149.5-166.4-56.7-80.1000115.3M18D16-M18 PolarHBondContact O-N 3.04Å; D16-M18 VanDerWaalsContact O-N 3.11Å
17P37.9Very low35Very low127 Ų127136.3 Ų136.383%0.82577%0.772SS**  trans-73.898.6162.331.6-30.8000109.3
18M35.8Very low34.5Very low171 Ų171137.6 Ų137.684%0.84277%0.769SS**  trans-60143.4167.9-80.4-150.9-66.500111.3D16D16-M18 PolarHBondContact O-N 3.04Å; D16-M18 VanDerWaalsContact O-N 3.11Å
19S29.6Very low34Very low107 Ų107134.3 Ų134.375%0.74877%0.768SS**  trans-45.1140.3164.153.20000112.7
20L32.1Very low33.6Very low169 Ų169136.3 Ų136.389%0.88578%0.776SS**  trans-158.4145132-106.6170.7000111.4
21S28.7Very low33.3Very low105 Ų105134.9 Ų134.973%0.73478%0.777SS**  trans-68.6167.8178.947.60000114.5
22S31.2Very low32.8Very low85 Ų85132.9 Ų132.959%0.59478%0.777SS**  trans93.4101175.4-159.90000115
23L32.4Very low32.5Very low146 Ų146133.2 Ų133.276%0.76478%0.782SS**  trans-130.536.2170.7-112.5170.4000110.5L26L23-L26 HydrophobicContact CD2-CD1 3.93Å
24D35.8Very low31.9Very low142 Ų142132.2 Ų132.276%0.75978%0.781SS**  trans-102-10.9-177.8-72.7-56.3000114.2
25D33.2Very low31.7Very low129 Ų129133.1 Ų133.169%0.6978%0.777SS**  trans-99.15.9-169.3-76.7-47.4000116.5S27D25-S27 VanDerWaalsContact C-N 3.35Å; D25-S27 PolarHBondContact O-N 3.25Å
26L31.1Very low31.2Very low152 Ų152133 Ų13380%0.79678%0.778SS**THydrogen-bonded Turntrans-89.619.3-176.3-70.1178.5000115.6L23L23-L26 HydrophobicContact CD2-CD1 3.93Å
27S32.7Very low31.3Very low109 Ų109133 Ų13376%0.76278%0.782SS**THydrogen-bonded Turntrans-90.1-3.5176.967.20000115.1D25D25-S27 VanDerWaalsContact C-N 3.35Å; D25-S27 PolarHBondContact O-N 3.25Å
28C30.7Very low30.8Very low97 Ų97130.1 Ų130.166%0.65578%0.775SS**SBendtrans-107.6-6.2-162.1-63.90000116.4
29L28.3Very low30.4Very low159 Ų159127 Ų12783%0.83277%0.77SS**  trans-132.271.2-168.8-66.4175.8000114.4
30V33.9Very low30.4Very low139 Ų139129.5 Ų129.584%0.84278%0.775SS**  trans-129.174.5154.4-173.50000109.7
31T29.8Very low30.2Very low114 Ų114126.2 Ų126.270%0.69977%0.767SS**  trans10.8106.2147.755.50000118.4
32S25.7Very low30.2Very low127 Ų127129.9 Ų129.989%0.88877%0.772SS**  3690.1116.4-48.30000118.2
33S29.1Very low30.1Very low121 Ų121133.4 Ų133.485%0.84678%0.784SS**  trans-130.4121.9141.858.60000109.6
34S26.6Very low30Very low106 Ų106131.7 Ų131.774%0.74179%0.785SS**  trans-86.1133-177.8-174.60000110.1
35F30.8Very low29.6Very low200 Ų200132.9 Ų132.988%0.87778%0.783SS**  trans-144.4110.7158.5-105.4-79.4000110V37F35-V37 PolarHBondContact O-N 3.15Å
36D26.6Very low29.4Very low151 Ų151130.2 Ų130.281%0.80779%0.786SS**  trans-61.8128.5168.5-88.5-62.6000110.5
37V34.5Very low29.5Very low138 Ų138134.3 Ų134.384%0.83679%0.791SS**  trans-125.4105.8158.1-178.90000106.8F35F35-V37 PolarHBondContact O-N 3.15Å
38G27.9Very low29.5Very low66 Ų66135.2 Ų135.268%0.6878%0.779SS**  trans-63.8156.7-171.500000114N40G38-N40 PolarHBondContact O-N 2.82Å
39S26.8Very low29.9Very low105 Ų105139.9 Ų139.973%0.73478%0.782SS**  trans-41.1129.7169-49.20000113.1
40N29.9Very low30.7Very low159 Ų159140.2 Ų140.285%0.8578%0.777SS**  -143.6137.3129.1-91.4-35.6000108.8G38G38-N40 PolarHBondContact O-N 2.82Å
41S28.4Very low31.3Very low101 Ų101136.9 Ų136.971%0.70676%0.764SS**  trans-73.7161.6174.343.30000110.8
42E30Very low31.9Very low181 Ų181134.8 Ų134.885%0.84675%0.749SS**SBendtrans76.5156.2177.2-50.1176.7131.900112.8
43D28.2Very low32.9Very low160 Ų160130.5 Ų130.586%0.85672%0.721SS**  trans62.252.8-178.4-61-12.2000119.5F45D43-F45 PolarHBondContact O-N 3.39Å
44S29.5Very low34Very low110 Ų110127.7 Ų127.777%0.76970%0.696SS**  trans-77.376164.6-159.50000112.8
45F28.5Very low35.5Very low167 Ų167130.5 Ų130.573%0.73269%0.691SS**  trans-166.842.1155-85.5-51.1000115.1D43 W47D43-F45 PolarHBondContact O-N 3.39Å; F45-W47 PolarHBondContact O-N 3.31Å
46G28.1Very low36.2Very low72 Ų72125.5 Ų125.574%0.74267%0.669SS**  trans-83.4101176.200000115.3
47W32.7Very low37.5Very low239 Ų239125 Ų12591%0.90566%0.656SS**  trans-113.945.4164.2-82.5101.7000112.5F45F45-W47 PolarHBondContact O-N 3.31Å
48Y32.6Very low38.9Very low128 Ų128126 Ų12650%0.50265%0.651SS.*SBendtrans-147.3142.7161.4-80.9-76000107D52 F195Y48-D52 HydrophobicContact CD1-CB 3.8Å; Y48-F195 HydrophobicContact CE1-CE1 4.15Å
49R41Very low40.1Very low194 Ų194129.2 Ų129.273%0.73265%0.652SS**  trans-65149.1159.8-79-176-91.8-157.7-10.9107.1A51 D52 A53R49-A51 PolarHBondContact O-N 3.38Å; R49-A51 VanDerWaalsContact O-N 3.17Å; R49-D52 WeakPolarHBondContact CB-OD2 2.99Å; R49-D52 PolarHBondContact N-OD2 2.94Å; R49-D52 WeakPolarHBondContact O-CA 2.97Å; R49-D52 WeakPolarHBondContact O-CB 3.47Å; R49-D52 PolarHBondContact O-N 3.2Å; R49-A53 PolarHBondContact O-N 3.35Å; R49-A53 VanDerWaalsContact O-N 3.08Å
50K44.9Very low41.2Very low167 Ų167126.4 Ų126.473%0.72663%0.631SS**Hα-helixtrans-51.7-41.8177.3-178.3160-178.91680111.8D52 A53 D54K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.82Å; K50-A53 PolarHBondContact O-N 3.12Å; K50-D54 VanDerWaalsContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact CG-OD2 3.33Å; K50-D54 WeakPolarHBondContact O-CB 3.38Å; K50-D54 VanDerWaalsContact O-CG 3.27Å; K50-D54 PolarHBondContact O-N 3.05Å
51A45.8Very low41.8Very low69 Ų69122.3 Ų122.357%0.5763%0.625SS**Hα-helixtrans-58.3-35.7172.200000114.8R49 R55R49-A51 PolarHBondContact O-N 3.38Å; R49-A51 VanDerWaalsContact O-N 3.17Å; A51-R55 WeakPolarHBondContact O-CB 3.42Å; A51-R55 PolarHBondContact O-N 3.13Å
52D43.3Very low42.7Very low70 Ų70119.4 Ų119.437%0.37461%0.611SS.*Hα-helixtrans-73.5-37.4177.3-57.1-40.2000111.1Y48 R49 K50 F56Y48-D52 HydrophobicContact CD1-CB 3.8Å; R49-D52 WeakPolarHBondContact CB-OD2 2.99Å; R49-D52 PolarHBondContact N-OD2 2.94Å; R49-D52 WeakPolarHBondContact O-CA 2.97Å; R49-D52 WeakPolarHBondContact O-CB 3.47Å; R49-D52 PolarHBondContact O-N 3.2Å; K50-D52 VanDerWaalsContact C-N 3.33Å; K50-D52 PolarHBondContact O-N 2.82Å; D52-F56 WeakPolarHBondContact O-CB 3.21Å; D52-F56 PolarHBondContact O-N 3.42Å
53A46.6Very low43Very low37 Ų37118 Ų11831%0.30661%0.605SS.*Hα-helixtrans-70.6-40.7176.300000112.2R49 K50 F56 R57R49-A53 PolarHBondContact O-N 3.35Å; R49-A53 VanDerWaalsContact O-N 3.08Å; K50-A53 PolarHBondContact O-N 3.12Å; A53-F56 PolarHBondContact O-N 2.91Å; A53-R57 PolarHBondContact O-N 3.19Å
54D52.3Low43.5Very low61 Ų61116 Ų11633%0.32659%0.594SS.*Hα-helixtrans-67.6-41.2176-66.4-33000110.6K50 F56 R57 E58K50-D54 VanDerWaalsContact CG-OD2 3.27Å; K50-D54 WeakPolarHBondContact CG-OD2 3.33Å; K50-D54 WeakPolarHBondContact O-CB 3.38Å; K50-D54 VanDerWaalsContact O-CG 3.27Å; K50-D54 PolarHBondContact O-N 3.05Å; D54-F56 VanDerWaalsContact C-N 3.31Å; D54-F56 PolarHBondContact O-N 3.37Å; D54-R57 PolarHBondContact O-N 3.44Å; D54-R57 IonicContact OD1-CZ 2.78Å; D54-R57 IonicContact OD1-NH1 3.28Å; D54-R57 PolarHBondContact OD1-NH1 3.02Å; D54-E58 WeakPolarHBondContact O-CB 3.49Å; D54-E58 PolarHBondContact O-N 3.36Å
55R56.7Low44Very low165 Ų165116 Ų11662%0.62359%0.589SS**Hα-helixtrans-62.7-34.8171.2-171.5-179.1-174.4-149.21.4112.6A51 L59A51-R55 WeakPolarHBondContact O-CB 3.42Å; A51-R55 PolarHBondContact O-N 3.13Å; R55-L59 HydrophobicContact CG-CD1 4.24Å; R55-L59 WeakPolarHBondContact O-CB 3.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.34Å; R55-L59 VanDerWaalsContact O-CG 3.24Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 2.86Å
56F45.9Very low44.1Very low95 Ų95116.7 Ų116.742%0.41759%0.593SS.*Hα-helixtrans-68.2-43.8174.5-166.8-91.7000111.3D52 A53 D54 E58 L59 T60D52-F56 WeakPolarHBondContact O-CB 3.21Å; D52-F56 PolarHBondContact O-N 3.42Å; A53-F56 PolarHBondContact O-N 2.91Å; D54-F56 VanDerWaalsContact C-N 3.31Å; D54-F56 PolarHBondContact O-N 3.37Å; F56-E58 VanDerWaalsContact C-N 3.29Å; F56-E58 PolarHBondContact O-N 2.89Å; F56-L59 PolarHBondContact O-N 2.94Å; F56-T60 HydrophobicContact CD1-CG2 4.01Å; F56-T60 HydrophobicContact CE1-CG2 3.63Å; F56-T60 HydrophobicContact CZ-CG2 3.95Å; F56-T60 PolarHBondContact O-N 2.76Å; F56-T60 PolarHBondContact O-OG1 2.9Å; F56-T60 VanDerWaalsContact O-OG1 3.1Å
57R54.6Low44.1Very low141 Ų141119.2 Ų119.253%0.53259%0.589SS.*Hα-helixtrans-59.7-39.2174.8-170.5-173.1-66116.72.2112.2A53 D54 G61 G62A53-R57 PolarHBondContact O-N 3.19Å; D54-R57 PolarHBondContact O-N 3.44Å; D54-R57 IonicContact OD1-CZ 2.78Å; D54-R57 IonicContact OD1-NH1 3.28Å; D54-R57 PolarHBondContact OD1-NH1 3.02Å; R57-G61 PolarHBondContact O-N 3.23Å; R57-G62 PolarHBondContact O-N 2.73Å
58E62.7Low43.9Very low159 Ų159117.4 Ų117.474%0.74359%0.588SS**Hα-helixtrans-65.7-42.5175.2-172.3175.6-151.600112D54 F56 G61D54-E58 WeakPolarHBondContact O-CB 3.49Å; D54-E58 PolarHBondContact O-N 3.36Å; F56-E58 VanDerWaalsContact C-N 3.29Å; F56-E58 PolarHBondContact O-N 2.89Å; E58-G61 PolarHBondContact O-N 3.18Å
59L53.1Low43.7Very low134 Ų134116.4 Ų116.470%0.70260%0.6SS**Hα-helixtrans-70-29.9177.2-73.8167.8000113.8R55 F56R55-L59 HydrophobicContact CG-CD1 4.24Å; R55-L59 WeakPolarHBondContact O-CB 3.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.34Å; R55-L59 VanDerWaalsContact O-CG 3.24Å; R55-L59 WeakPolarHBondContact O-CG 3.47Å; R55-L59 PolarHBondContact O-N 2.86Å; F56-L59 PolarHBondContact O-N 2.94Å
60T50.6Low43.2Very low46 Ų46115 Ų11528%0.28261%0.605SS.*THydrogen-bonded Turntrans-95.111.4178.761.60000113.9F56 G62 E63F56-T60 HydrophobicContact CD1-CG2 4.01Å; F56-T60 HydrophobicContact CE1-CG2 3.63Å; F56-T60 HydrophobicContact CZ-CG2 3.95Å; F56-T60 PolarHBondContact O-N 2.76Å; F56-T60 PolarHBondContact O-OG1 2.9Å; F56-T60 VanDerWaalsContact O-OG1 3.1Å; T60-G62 PolarHBondContact O-N 3.07Å; T60-G62 VanDerWaalsContact O-N 3.11Å; T60-E63 PolarHBondContact O-N 3.28Å
61G42Very low42.4Very low72 Ų72110.4 Ų110.474%0.74261%0.605SS**THydrogen-bonded Turntrans63.417.5176.100000114.9R57 E58 E63R57-G61 PolarHBondContact O-N 3.23Å; E58-G61 PolarHBondContact O-N 3.18Å; G61-E63 VanDerWaalsContact C-N 3.33Å
62G46.9Very low41.6Very low40 Ų40114.1 Ų114.141%0.41262%0.615SS.*THydrogen-bonded Turntrans74.113.3-175.500000115.7R57 T60 D64R57-G62 PolarHBondContact O-N 2.73Å; T60-G62 PolarHBondContact O-N 3.07Å; T60-G62 VanDerWaalsContact O-N 3.11Å; G62-D64 PolarHBondContact O-N 2.58Å
63E37.2Very low41.1Very low153 Ų153116.2 Ų116.272%0.71564%0.635SS**  trans-70.9117.4170.3-71.1-166.215900110.9T60 G61 V65T60-E63 PolarHBondContact O-N 3.28Å; G61-E63 VanDerWaalsContact C-N 3.33Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 WeakPolarHBondContact O-CG2 3.4Å; E63-V65 PolarHBondContact O-N 3.07Å
64D38.8Very low40.4Very low116 Ų116118.5 Ų118.562%0.6265%0.654SS**  trans-73.781.5176.6-72.3-45.4000111.3G62 F66 N67G62-D64 PolarHBondContact O-N 2.58Å; D64-F66 PolarHBondContact O-N 3.43Å; D64-N67 PolarHBondContact O-N 3.15Å; D64-N67 PolarHBondContact O-ND2 3.45Å
65V39.5Very low39.5Very low111 Ų111122.7 Ų122.767%0.67368%0.682SS**THydrogen-bonded Turntrans-65.54.4174.5-163.50000112.8E63E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 WeakPolarHBondContact O-CG2 3.4Å; E63-V65 PolarHBondContact O-N 3.07Å
66F30.6Very low38.3Very low182 Ų182118.5 Ų118.580%0.79869%0.691SS**THydrogen-bonded Turntrans-125.442175.7-67.6-71.5000113D64 F68D64-F66 PolarHBondContact O-N 3.43Å; F66-F68 PolarHBondContact O-N 2.9Å
67N28.7Very low37.5Very low124 Ų124119 Ų11966%0.66371%0.712SS**  trans-67.987.7170.6-95.1-46.1000112.5D64D64-N67 PolarHBondContact O-N 3.15Å; D64-N67 PolarHBondContact O-ND2 3.45Å
68F27.9Very low36.4Very low202 Ų202118.1 Ų118.189%0.88673%0.725SS**  trans-97.3104.5145.8-103.8-85.5000107.4F66 I70F66-F68 PolarHBondContact O-N 2.9Å; F68-I70 PolarHBondContact O-N 3.31Å; F68-I70 VanDerWaalsContact O-N 3.09Å
69S28.8Very low34.8Very low107 Ų107115.1 Ų115.175%0.74873%0.727SS**  trans-60114.3178.3-55.30000110.6G71S69-G71 VanDerWaalsContact C-N 3.29Å; S69-G71 PolarHBondContact O-N 3.21Å
70I29.3Very low33.8Very low164 Ų164113.2 Ų113.284%0.84173%0.725SS**  trans-7590.1163.6-61.6175.1000106.1F68F68-I70 PolarHBondContact O-N 3.31Å; F68-I70 VanDerWaalsContact O-N 3.09Å
71G30.1Very low32.9Very low71 Ų71116.1 Ų116.173%0.73275%0.745SS**  trans-94.3109.5174.300000110.4S69S69-G71 VanDerWaalsContact C-N 3.29Å; S69-G71 PolarHBondContact O-N 3.21Å
72D28.8Very low32.6Very low146 Ų146122.2 Ų122.278%0.78175%0.747SS**  trans-66.3150.6172.8-83.7-47.3000112.4
73S31.9Very low31.8Very low114 Ų114129.6 Ų129.680%0.79777%0.768SS**SBendtrans74106.8160.1-58.20000120
74A32.9Very low31.7Very low86 Ų86130.1 Ų130.171%0.71178%0.775SS**  trans66120.9134.400000121.3
75T33.6Very low31.4Very low149 Ų149131.6 Ų131.691%0.91478%0.782SS**  trans72.2125.8161.167.20000118.2
76G30.1Very low31Very low77 Ų77129.6 Ų129.679%0.79478%0.784SS**  trans105.4101.317200000114
77A29.1Very low31.2Very low105 Ų105126 Ų12687%0.86878%0.781SS**PPolyproline II helixtrans-84.2129.4174.100000111.4
78P31.4Very low31.4Very low122 Ų122127.6 Ų127.679%0.79279%0.788SS**PPolyproline II helixtrans-86.313416032.3-28.8000110.1
79A29.9Very low31.6Very low96 Ų96125.4 Ų125.479%0.79379%0.786SS**PPolyproline II helixtrans-67.8148.2-179.800000112.5P81A79-P81 WeakPolarHBondContact O-CD 3.38Å
80S32.4Very low31.9Very low94 Ų94123.9 Ų123.966%0.65779%0.787SS**PPolyproline II helixtrans-65.8122.8173-178.70000110.7Y82S80-Y82 PolarHBondContact O-N 3.49Å
81P31.7Very low32.1Very low108 Ų108123.3 Ų123.370%0.70179%0.786SS**SBendtrans-82.555.8-177.835.4-36.7000112.1A79A79-P81 WeakPolarHBondContact O-CD 3.38Å
82Y34.4Very low32.5Very low199 Ų199129.3 Ų129.378%0.7879%0.794SS**  trans-142.747.8174.8-66.3-67000112.4S80S80-Y82 PolarHBondContact O-N 3.49Å
83F31Very low32.8Very low195 Ų195127.9 Ų127.986%0.85580%0.796SS**  trans-138.7149.8162.3-101.2-93.2000108.3
84L34.3Very low33.3Very low165 Ų165128 Ų12886%0.86479%0.793SS**  trans71.4142.9-160.8-59.6120.9000113.7
85D32.2Very low33.5Very low146 Ų146129.9 Ų129.978%0.78180%0.802SS**  cis-138.1156.53.4-159.83.4000112.1
86G32.5Very low33.6Very low69 Ų69125.9 Ų125.971%0.71179%0.79SS**  trans-153.947.1-16800000114.2
87C33.7Very low34.2Very low108 Ų108128.9 Ų128.973%0.7379%0.793SS**  trans41.695.4153.8-60.90000119.4
88L34.3Very low34.5Very low156 Ų156130.3 Ų130.382%0.81779%0.786SS**  43.8131.7123.6-62.8174000122.2
89N32.1Very low34.7Very low156 Ų156131.5 Ų131.583%0.83479%0.785SS**  trans78.2112.2148.7-64.1-9.9000119.8
90G35.3Very low34.9Very low75 Ų75131.5 Ų131.577%0.77378%0.78SS**  trans-178.273.8169.600000111.9H92G90-H92 PolarHBondContact O-N 3.34Å
91N33.2Very low35Very low152 Ų152139 Ų13981%0.81379%0.794SS**  trans-62.3121.3178.4-65.4-30000111.3
92H38Very low34.9Very low198 Ų198140.3 Ų140.392%0.91779%0.79SS**  trans-162.3124.8146.4-87-60.5000111.1G90G90-H92 PolarHBondContact O-N 3.34Å
93S34.2Very low34.9Very low115 Ų115143.3 Ų143.380%0.80480%0.8SS**  trans-120179.5169.5-60.70000108.3
94P43.1Very low35Very low116 Ų116141 Ų14175%0.75379%0.79SS**  cis-131.8-175.8-13.626.2-3000113.7
95S36.5Very low35.1Very low126 Ų126137.5 Ų137.588%0.88178%0.779SS**  trans135.4143.613069.40000115.4
96G37Very low35.2Very low65 Ų65138 Ų13867%0.6778%0.782SS**  trans119.584.9169.900000116.6
97T41.1Very low35.4Very low140 Ų140137.6 Ų137.686%0.85978%0.777SS**  trans17.7147130.654.90000120.1
98D35.7Very low35.5Very low136 Ų136140.7 Ų140.773%0.72779%0.787SS**  cis-178.2-174.6-3.9-179.719.6000106.2
99L36.8Very low35.6Very low146 Ų146136.4 Ų136.476%0.76478%0.78SS**  trans93.768.8165.8-50.8-178000118.7
100S33.6Very low35.9Very low97 Ų97137.3 Ų137.368%0.67878%0.784SS**  41.6111.5114-48.20000120.7
101R35.3Very low36Very low252 Ų252138 Ų13895%0.95178%0.777SS**  -155.9135.5107.5-138.4164.4-75.8-171.6-5.1113
102E29.3Very low36.3Very low135 Ų135139.5 Ų139.563%0.63178%0.779SS**  trans-110139.7-164.7-168.7-172.2178.800110.2K104E102-K104 HydrophobicContact CG-CG 4.01Å; E102-K104 WeakPolarHBondContact OE1-CE 3.39Å; E102-K104 WeakPolarHBondContact OE1-CG 3.39Å; E102-K104 WeakPolarHBondContact OE2-CE 3.15Å; E102-K104 IonicContact OE2-NZ 3.64Å
103W33Very low36.2Very low261 Ų261134.9 Ų134.999%0.98977%0.77SS**  trans-118.1114.3158.8-91.252.8000108.3
104K33.8Very low36.5Very low148 Ų148136.3 Ų136.364%0.64377%0.768SS**  trans-81.1172.8175.9-53176174.5176.30108.5E102E102-K104 HydrophobicContact CG-CG 4.01Å; E102-K104 WeakPolarHBondContact OE1-CE 3.39Å; E102-K104 WeakPolarHBondContact OE1-CG 3.39Å; E102-K104 WeakPolarHBondContact OE2-CE 3.15Å; E102-K104 IonicContact OE2-NZ 3.64Å
105S35.7Very low36.3Very low90 Ų90140.3 Ų140.363%0.62977%0.768SS**  cis-169.6171.316.2-147.50000110.9
106N34.9Very low36.3Very low157 Ų157141.5 Ų141.584%0.8476%0.764SS**  trans72.9129.8161.6-45.6-31.3000117.7
107G36.3Very low36.3Very low60 Ų60143.8 Ų143.862%0.61977%0.77SS**  cis-176.9164-4.300000113.1
108D36.4Very low35.9Very low174 Ų174145.1 Ų145.193%0.9377%0.771SS**  trans52132.9151-41.4-35.9000120.6
109G36.7Very low36.2Very low66 Ų66144.1 Ų144.168%0.6877%0.774SS**  cis169.3176.7-2.600000112.1
110L37.3Very low36.2Very low174 Ų174145 Ų14591%0.91177%0.774SS**  trans73.9113.9169.6-54.8165.9000116.4
111S38.7Very low36.7Very low91 Ų91146.9 Ų146.964%0.63678%0.781SS**  87133.281.3-161.10000111.8
112Q38.1Very low36.6Very low182 Ų182139.6 Ų139.685%0.8577%0.769SS**  cis-154.7159.58-132.1155.2300110.7
113S36.5Very low36.7Very low102 Ų102138.9 Ų138.971%0.71378%0.777SS**  trans-57.9149.7172.1-47.90000116.2
114D40.8Very low36.7Very low144 Ų144135.3 Ų135.377%0.7777%0.769SS**  trans172.7152.6130.2-93.5-19.9000110
115R39.2Very low36.8Very low200 Ų200135.9 Ų135.976%0.75577%0.774SS**  cis174.5123.4-27.4-120.5-169.1177-140.90.9105.2
116L35.7Very low36.7Very low152 Ų152139.6 Ų139.680%0.79678%0.781SS**  trans65.1160.3153-48.5170.4000115.9
117S37Very low36.6Very low113 Ų113141.9 Ų141.979%0.7978%0.778SS**  cis-148.1155.62.144.50000111.5
118L34.1Very low37Very low168 Ų168144.6 Ų144.688%0.8879%0.785SS**  trans-71.1141.6177.8-155.177.2000113
119S41.7Very low36.9Very low114 Ų114144.4 Ų144.480%0.79778%0.778SS**  trans-146.7129.5151.466.30000111.6
120H36.5Very low37.8Very low165 Ų165148.7 Ų148.776%0.76478%0.784SS**  trans-101.9119.5-169.5175.4-80000109.7
121V44.4Very low38.3Very low136 Ų136145.3 Ų145.382%0.82477%0.773SS**  trans-123.9113.9170.6-178.20000109.1
122S31.9Very low38.4Very low99 Ų99147 Ų14769%0.69278%0.781SS**  trans-99.3124.2170.9173.40000108.5
123C32.6Very low38.7Very low121 Ų121145 Ų14582%0.81878%0.782SS**  trans-144.8137.4159.9-158.60000109.6
124K31.9Very low39.1Very low185 Ų185146.4 Ų146.480%0.80479%0.785SS**  trans-86.6160.1173-63.4174.6178.9178.80108.8
125Q36Very low39.2Very low160 Ų160143.2 Ų143.275%0.74878%0.779SS**  140138.6126.8-166.7151.7-28.300114.6
126E33.7Very low39.3Very low168 Ų168139.6 Ų139.679%0.78578%0.782SS**  trans71.8132.1161.4-82.4150.7-151.900122.3
127R33.5Very low39.3Very low206 Ų206138.1 Ų138.178%0.77778%0.779SS**  trans-115.3133.6178.4167-156.4-73.6-169.1-3.6108.1
128P43.8Very low39.3Very low117 Ų117138.2 Ų138.276%0.7678%0.78SS**  trans-91.3139155-524.8000110.9
129E33.9Very low39.4Very low169 Ų169134.9 Ų134.979%0.7977%0.77SS**  trans-84143178-59.7-164.9135.400112.6
130I55.9Low39.5Very low156 Ų156135.4 Ų135.480%0.877%0.769SS**  trans-137134.7167.4-56.3178.8000107.7
131P48.3Very low39.8Very low104 Ų104132.6 Ų132.668%0.67576%0.759SS**  trans-68.4157-176.8-17.831.7000113.4T133P131-T133 PolarHBondContact O-N 3Å
132P41Very low40.2Very low125 Ų125135.2 Ų135.281%0.81276%0.759SS**  trans-76.5110.9-174.630.7-34.2000112.2V134P132-V134 PolarHBondContact O-N 2.83Å
133T43.3Very low41.4Very low141 Ų141133.3 Ų133.387%0.86574%0.737SS**  trans-73.1122.7165.8-60.30000109.7P131 A135P131-T133 PolarHBondContact O-N 3Å; T133-A135 PolarHBondContact O-N 2.76Å; T133-A135 VanDerWaalsContact O-N 3.16Å
134V45.9Very low42.9Very low131 Ų131130.8 Ų130.879%0.79472%0.719SS**  trans-68.4107-172.5-179.50000111.4P132P132-V134 PolarHBondContact O-N 2.83Å
135A43.8Very low44.7Very low77 Ų77128.6 Ų128.664%0.63671%0.71SS**  trans-81.2131.4157.100000108.6T133 T137T133-A135 PolarHBondContact O-N 2.76Å; T133-A135 VanDerWaalsContact O-N 3.16Å; A135-T137 PolarHBondContact O-N 2.93Å
136P40.7Very low46.7Very low124 Ų124121.2 Ų121.281%0.80568%0.676SS**  trans-68.3105.7176.627.7-32.6000109.1S138P136-S138 PolarHBondContact O-N 2.87Å
137T34.4Very low49.1Very low122 Ų122115.1 Ų115.175%0.74865%0.651SS**  trans-60.8124172.1460000108.7A135 S139A135-T137 PolarHBondContact O-N 2.93Å; T137-S139 VanDerWaalsContact C-N 3.3Å; T137-S139 PolarHBondContact O-N 3.24Å
138S38Very low51.7Low114 Ų114105.4 Ų105.480%0.79761%0.614SS**  trans-67.589.3177.2400000110P136 V140P136-S138 PolarHBondContact O-N 2.87Å; S138-V140 PolarHBondContact O-N 2.85Å
139S35.2Very low53.9Low98 Ų98101.4 Ų101.469%0.68559%0.589SS**  trans-7457.9-173.648.70000113.1T137 L141T137-S139 VanDerWaalsContact C-N 3.3Å; T137-S139 PolarHBondContact O-N 3.24Å; S139-L141 PolarHBondContact O-N 3.5Å
140V44.7Very low56.7Low126 Ų12695.7 Ų95.776%0.76456%0.56SS**  trans-67.8101.1162.5-177.30000107.2S138 K142S138-V140 PolarHBondContact O-N 2.85Å; V140-K142 PolarHBondContact O-N 2.7Å
141L43.1Very low58.5Low106 Ų10688.9 Ų88.956%0.55553%0.526SS*.  trans-49.299.4-172.3-58.1-179.3000111.7S139 Y143S139-L141 PolarHBondContact O-N 3.5Å; L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 VanDerWaalsContact O-CD2 3.31Å; L141-Y143 WeakPolarHBondContact O-CD2 3.33Å; L141-Y143 PolarHBondContact O-N 2.83Å
142K53.1Low60.7Low190 Ų19083.9 Ų83.983%0.82649%0.494SS*.  trans-87.874-169-162.9177.3-173.9179.80109.8V140V140-K142 PolarHBondContact O-N 2.7Å
143Y56.1Low63.2Low59 Ų5978.2 Ų78.223%0.23146%0.457CS..  trans-43.7121.8170.8-63.2-77.5000110.1L141 K145 I183 F187L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 VanDerWaalsContact O-CD2 3.31Å; L141-Y143 WeakPolarHBondContact O-CD2 3.33Å; L141-Y143 PolarHBondContact O-N 2.83Å; Y143-K145 PolarHBondContact O-N 3.5Å; Y143-I183 HydrophobicContact CD1-CG2 3.63Å; Y143-I183 HydrophobicContact CG-CG2 4.11Å; Y143-F187 HydrophobicContact CD1-CB 3.67Å; Y143-F187 HydrophobicContact CD1-CD1 4.33Å; Y143-F187 HydrophobicContact CD1-CD2 4.41Å; Y143-F187 AromaticContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CE1-CB 3.46Å; Y143-F187 VanDerWaalsContact CE1-CB 3.46Å; Y143-F187 HydrophobicContact CE1-CG 4.17Å
144P63.8Low65.6Low68 Ų6871.5 Ų71.544%0.44242%0.415SS..  trans-63.4110.8-179.124-33.2000108.8I183 F187P144-I183 HydrophobicContact CG-CG1 4.42Å; P144-I183 WeakPolarHBondContact O-CD1 3.3Å; P144-F187 HydrophobicContact CG-CE2 3.97Å
145K70Confident67.9Low139 Ų13965.3 Ų65.360%0.60438%0.378SS*.  trans-67.3135.3-178.3-174.4-166.8169.3-166.60109.3Y143Y143-K145 PolarHBondContact O-N 3.5Å
146P79.4Confident70.3Confident6 Ų661.6 Ų61.64%0.03935%0.348CS..  trans-52.5139.2170.9-23.731000111.9Y148 M153 F179 L180 I183 S262P146-Y148 PolarHBondContact O-N 3.4Å; P146-M153 HydrophobicContact CB-SD 4.48Å; P146-M153 HydrophobicContact CG-SD 4.48Å; P146-F179 HydrophobicContact CG-CB 4Å; P146-L180 HydrophobicContact CG-CD2 4.46Å; P146-I183 HydrophobicContact CG-CD1 3.98Å; P146-S262 WeakPolarHBondContact CA-OG 3.3Å
147P82.9Confident72.9Confident40 Ų4055.7 Ų55.726%0.2631%0.309SS..SBendtrans-68.1-13179.328.3-36.1000113.1V251 D255 A258 I259P147-V251 HydrophobicContact CB-CG1 4.1Å; P147-V251 HydrophobicContact CG-CG1 4.47Å; P147-D255 HydrophobicContact CB-CB 4.11Å; P147-D255 HydrophobicContact CG-CB 4.41Å; P147-A258 HydrophobicContact CG-CB 4.09Å; P147-I259 HydrophobicContact CG-CB 4.34Å; P147-I259 HydrophobicContact CG-CG1 3.51Å
148Y87.4Confident75.7Confident2 Ų250.1 Ų50.11%0.00828%0.275CS..SBendtrans-68139.4170.5-70.7-58.8000112.8P146 C152 L156 F179 I248 V251 I259 L269 E273P146-Y148 PolarHBondContact O-N 3.4Å; Y148-C152 HydrophobicContact CD1-CB 3.79Å; Y148-C152 HydrophobicContact CG-CB 4.19Å; Y148-L156 HydrophobicContact CD2-CD1 4.39Å; Y148-L156 HydrophobicContact CE1-CD1 4.34Å; Y148-L156 HydrophobicContact CE2-CD1 4.08Å; Y148-F179 HydrophobicContact CD2-CD1 4.28Å; Y148-F179 AromaticContact CD2-CE1 3.52Å; Y148-F179 HydrophobicContact CD2-CE1 3.52Å; Y148-F179 AromaticContact CD2-CZ 3.91Å; Y148-F179 HydrophobicContact CD2-CZ 3.91Å; Y148-F179 AromaticContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CZ 4.07Å; Y148-I248 HydrophobicContact CE1-CG2 4.06Å; Y148-V251 HydrophobicContact CD1-CB 4.18Å; Y148-V251 HydrophobicContact CD1-CG1 3.93Å; Y148-V251 HydrophobicContact CE1-CB 4.29Å; Y148-V251 HydrophobicContact CE1-CG1 4.23Å; Y148-I259 HydrophobicContact CD2-CG2 4.39Å; Y148-I259 HydrophobicContact CE1-CD1 4.15Å; Y148-I259 HydrophobicContact CE2-CB 4.39Å; Y148-I259 HydrophobicContact CE2-CD1 4.32Å; Y148-I259 HydrophobicContact CE2-CG1 4.06Å; Y148-I259 HydrophobicContact CE2-CG2 3.47Å; Y148-I259 VanDerWaalsContact CE2-CG2 3.47Å; Y148-L269 WeakPolarHBondContact OH-CD1 3.33Å; Y148-E273 PolarHBondContact OH-OE1 3.19Å
149S91.7Very high78.3Confident32 Ų3247.8 Ų47.822%0.22425%0.25CS..  trans-65.8160.216776.40000111S151 C152 M153 E247S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 PolarHBondContact OG-N 2.83Å; S149-C152 PolarHBondContact O-N 2.85Å; S149-C152 VanDerWaalsContact O-N 3.16Å; S149-C152 PolarHBondContact OG-N 3.18Å; S149-C152 PolarHBondContact OG-SG 3.5Å; S149-C152 VanDerWaalsContact OG-SG 3.38Å; S149-M153 PolarHBondContact O-N 3.45Å; S149-E247 VanDerWaalsContact CB-OE1 3.3Å; S149-E247 WeakPolarHBondContact CB-OE1 3.44Å; S149-E247 PolarHBondContact OG-OE1 2.85Å
150Y92.6Very high81.1Confident50 Ų5043.2 Ų43.220%0.19622%0.218CC..Hα-helixtrans-59.2-33.9172-71.9-67.4000111.5M153 I154 W202 V206Y150-M153 HydrophobicContact CD1-CE 3.55Å; Y150-M153 HydrophobicContact CE1-CE 3.92Å; Y150-M153 HydrophobicContact CG-CE 4.22Å; Y150-M153 PolarHBondContact O-N 3.04Å; Y150-I154 WeakPolarHBondContact O-CB 3.4Å; Y150-I154 VanDerWaalsContact O-CD1 3.3Å; Y150-I154 WeakPolarHBondContact O-CD1 3.39Å; Y150-I154 WeakPolarHBondContact O-CG1 3.36Å; Y150-I154 PolarHBondContact O-N 3.03Å; Y150-W202 HydrophobicContact CE1-CB 4.33Å; Y150-W202 WeakPolarHBondContact OH-CB 3.5Å; Y150-V206 HydrophobicContact CD1-CG2 3.7Å; Y150-V206 HydrophobicContact CE1-CG2 4.09Å
151S93.6Very high83.4Confident12 Ų1237.9 Ų37.98%0.08419%0.187CC..Hα-helixtrans-59.8-48.2173-55.40000112.1S149 I154 A155 N209 N213 F216S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 PolarHBondContact OG-N 2.83Å; S151-I154 PolarHBondContact O-N 3.3Å; S151-A155 WeakPolarHBondContact O-CB 3.24Å; S151-A155 PolarHBondContact O-N 3.12Å; S151-N209 PolarHBondContact OG-OD1 3.09Å; S151-N213 PolarHBondContact OG-ND2 3.1Å; S151-F216 WeakPolarHBondContact O-CZ 3.46Å
152C93.7Very high85.6Confident0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-61-47.6175.9-69.10000111.7Y148 S149 I154 A155 L156 E247 I248Y148-C152 HydrophobicContact CD1-CB 3.79Å; Y148-C152 HydrophobicContact CG-CB 4.19Å; S149-C152 PolarHBondContact O-N 2.85Å; S149-C152 VanDerWaalsContact O-N 3.16Å; S149-C152 PolarHBondContact OG-N 3.18Å; S149-C152 PolarHBondContact OG-SG 3.5Å; S149-C152 VanDerWaalsContact OG-SG 3.38Å; C152-I154 PolarHBondContact O-N 3.22Å; C152-A155 PolarHBondContact O-N 3.33Å; C152-L156 WeakPolarHBondContact O-CB 3.34Å; C152-L156 WeakPolarHBondContact O-CG 3.33Å; C152-L156 PolarHBondContact O-N 3.23Å; C152-E247 PolarHBondContact SG-OE1 3.42Å; C152-I248 HydrophobicContact CB-CG1 3.91Å
153M93.3Very high87.3Confident5 Ų533.7 Ų33.73%0.02519%0.187CC..Hα-helixtrans-61.8-40.1179.5-70.3-171.7-78.900113P146 S149 Y150 A157 I175 F179P146-M153 HydrophobicContact CB-SD 4.48Å; P146-M153 HydrophobicContact CG-SD 4.48Å; S149-M153 PolarHBondContact O-N 3.45Å; Y150-M153 HydrophobicContact CD1-CE 3.55Å; Y150-M153 HydrophobicContact CE1-CE 3.92Å; Y150-M153 HydrophobicContact CG-CE 4.22Å; Y150-M153 PolarHBondContact O-N 3.04Å; M153-A157 PolarHBondContact O-N 3.22Å; M153-A157 VanDerWaalsContact O-N 3.1Å; M153-I175 HydrophobicContact CB-CD1 4.25Å; M153-I175 HydrophobicContact CB-CG1 4.16Å; M153-I175 HydrophobicContact SD-CG2 4.27Å; M153-F179 HydrophobicContact CB-CD2 4.28Å; M153-F179 HydrophobicContact CB-CE2 4.1Å; M153-F179 HydrophobicContact CG-CD2 3.76Å; M153-F179 HydrophobicContact CG-CE2 3.74Å; M153-F179 HydrophobicContact CG-CG 4.33Å; M153-F179 HydrophobicContact CG-CZ 4.32Å; M153-F179 HydrophobicContact SD-CB 4.2Å; M153-F179 HydrophobicContact SD-CD2 3.83Å; M153-F179 HydrophobicContact SD-CE2 4.43Å; M153-F179 HydrophobicContact SD-CG 4.04Å
154I94.6Very high88.9Confident0 Ų032.6 Ų32.60%019%0.194CC..Hα-helixtrans-65.8-43.5174.9-67.4161.3000110.7Y150 S151 C152 A157 L158 I171 V206 N209 L210 F216Y150-I154 WeakPolarHBondContact O-CB 3.4Å; Y150-I154 VanDerWaalsContact O-CD1 3.3Å; Y150-I154 WeakPolarHBondContact O-CD1 3.39Å; Y150-I154 WeakPolarHBondContact O-CG1 3.36Å; Y150-I154 PolarHBondContact O-N 3.03Å; S151-I154 PolarHBondContact O-N 3.3Å; C152-I154 PolarHBondContact O-N 3.22Å; I154-A157 WeakPolarHBondContact O-CB 3.48Å; I154-A157 PolarHBondContact O-N 2.87Å; I154-L158 HydrophobicContact CG2-CD1 3.98Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.36Å; I154-I171 HydrophobicContact CG1-CG2 4.05Å; I154-I171 HydrophobicContact CG2-CD1 4.42Å; I154-V206 HydrophobicContact CD1-CG1 4.2Å; I154-V206 HydrophobicContact CG1-CG1 4.28Å; I154-N209 HydrophobicContact CD1-CB 3.84Å; I154-L210 HydrophobicContact CD1-CD2 4.12Å; I154-L210 HydrophobicContact CD1-CG 4.08Å; I154-L210 HydrophobicContact CG2-CD2 3.65Å; I154-F216 HydrophobicContact CB-CE1 4.08Å; I154-F216 HydrophobicContact CB-CE2 4.29Å; I154-F216 HydrophobicContact CB-CZ 3.76Å; I154-F216 HydrophobicContact CD1-CE2 4.18Å; I154-F216 HydrophobicContact CD1-CZ 4.49Å; I154-F216 HydrophobicContact CG2-CD1 3.82Å; I154-F216 HydrophobicContact CG2-CD2 4.36Å; I154-F216 HydrophobicContact CG2-CE1 3.45Å; I154-F216 VanDerWaalsContact CG2-CE1 3.45Å; I154-F216 HydrophobicContact CG2-CE2 4.03Å; I154-F216 HydrophobicContact CG2-CG 4.27Å; I154-F216 HydrophobicContact CG2-CZ 3.57Å
155A94.6Very high90.3Very high1 Ų135 Ų351%0.00819%0.194CC..Hα-helixtrans-66.7-39.4179.800000112.5S151 C152 A157 L158 K159 F216 L236 I244S151-A155 WeakPolarHBondContact O-CB 3.24Å; S151-A155 PolarHBondContact O-N 3.12Å; C152-A155 PolarHBondContact O-N 3.33Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 3.23Å; A155-L158 PolarHBondContact O-N 2.9Å; A155-K159 WeakPolarHBondContact O-CB 3.12Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 3.07Å; A155-F216 HydrophobicContact CB-CE1 4.3Å; A155-L236 HydrophobicContact CB-CD1 4.17Å; A155-I244 HydrophobicContact CB-CB 4.46Å; A155-I244 HydrophobicContact CB-CD1 4.33Å; A155-I244 HydrophobicContact CB-CG2 3.46Å; A155-I244 VanDerWaalsContact CB-CG2 3.46Å
156L93.8Very high91.4Very high0 Ų028.7 Ų28.70%017%0.167CC..Hα-helixtrans-62-40.4172.7-70.6171.8000111.5Y148 C152 L158 K159 N160 F174 F179 I248 I272 E273Y148-L156 HydrophobicContact CD2-CD1 4.39Å; Y148-L156 HydrophobicContact CE1-CD1 4.34Å; Y148-L156 HydrophobicContact CE2-CD1 4.08Å; C152-L156 WeakPolarHBondContact O-CB 3.34Å; C152-L156 WeakPolarHBondContact O-CG 3.33Å; C152-L156 PolarHBondContact O-N 3.23Å; L156-L158 PolarHBondContact O-N 3.3Å; L156-K159 PolarHBondContact O-N 3.38Å; L156-N160 PolarHBondContact O-N 3.25Å; L156-N160 VanDerWaalsContact O-N 3.1Å; L156-N160 PolarHBondContact O-ND2 3.44Å; L156-F174 HydrophobicContact CB-CE1 4.15Å; L156-F174 HydrophobicContact CB-CZ 4.36Å; L156-F179 HydrophobicContact CD1-CE2 4.46Å; L156-F179 HydrophobicContact CD1-CZ 3.75Å; L156-I248 HydrophobicContact CD2-CD1 3.9Å; L156-I248 HydrophobicContact CD2-CG2 4.47Å; L156-I248 HydrophobicContact CG-CD1 3.98Å; L156-I272 HydrophobicContact CB-CG2 4.31Å; L156-I272 HydrophobicContact CD1-CG2 4.39Å; L156-I272 HydrophobicContact CD2-CG2 4.28Å; L156-E273 HydrophobicContact CD2-CG 4.23Å
157A94.3Very high92.1Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-58.9-48.1172.600000111.6M153 I154 A155 K159 N160 S161 L166 F174M153-A157 PolarHBondContact O-N 3.22Å; M153-A157 VanDerWaalsContact O-N 3.1Å; I154-A157 WeakPolarHBondContact O-CB 3.48Å; I154-A157 PolarHBondContact O-N 2.87Å; A155-A157 VanDerWaalsContact C-N 3.34Å; A155-A157 PolarHBondContact O-N 3.23Å; A157-K159 PolarHBondContact O-N 3.19Å; A157-N160 PolarHBondContact O-N 3.16Å; A157-S161 PolarHBondContact O-N 3.5Å; A157-L166 HydrophobicContact CB-CD1 3.97Å; A157-L166 WeakPolarHBondContact O-CD1 3.36Å; A157-F174 HydrophobicContact CB-CB 3.84Å; A157-F174 HydrophobicContact CB-CD1 3.4Å; A157-F174 VanDerWaalsContact CB-CD1 3.4Å; A157-F174 HydrophobicContact CB-CD2 4.12Å; A157-F174 HydrophobicContact CB-CE1 3.92Å; A157-F174 HydrophobicContact CB-CG 3.51Å; A157-F174 HydrophobicContact CB-CZ 4.49Å
158L94.2Very high92.5Very high4 Ų433.7 Ų33.72%0.02118%0.183CC..Hα-helixtrans-65.4-37.8179.8-68169.8000112.8I154 A155 L156 N160 S161 L166 F216 W234 L236I154-L158 HydrophobicContact CG2-CD1 3.98Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.36Å; A155-L158 PolarHBondContact O-N 2.9Å; L156-L158 PolarHBondContact O-N 3.3Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.42Å; L158-S161 WeakPolarHBondContact O-CB 3.28Å; L158-S161 PolarHBondContact O-N 3.05Å; L158-L166 HydrophobicContact CD2-CB 3.96Å; L158-L166 HydrophobicContact CD2-CD1 4.23Å; L158-L166 HydrophobicContact CD2-CG 4.09Å; L158-F216 HydrophobicContact CD1-CD1 3.72Å; L158-F216 HydrophobicContact CD1-CE1 4.02Å; L158-W234 WeakPolarHBondContact CD2-O 3.45Å; L158-L236 HydrophobicContact CD1-CB 4.44Å; L158-L236 HydrophobicContact CD1-CD1 4.45Å
159K93.3Very high92.7Very high65 Ų6535.9 Ų35.928%0.28320%0.199SC..Hα-helixtrans-65.6-31.3174.9-76.4-17563165.10113.2A155 L156 A157 S161 E245 E273A155-K159 WeakPolarHBondContact O-CB 3.12Å; A155-K159 WeakPolarHBondContact O-CG 3.41Å; A155-K159 PolarHBondContact O-N 3.07Å; L156-K159 PolarHBondContact O-N 3.38Å; A157-K159 PolarHBondContact O-N 3.19Å; K159-S161 VanDerWaalsContact C-N 3.33Å; K159-E245 IonicContact NZ-OE1 2.81Å; K159-E245 PolarHBondContact NZ-OE1 3.01Å; K159-E273 WeakPolarHBondContact CE-O 3.4Å; K159-E273 PolarHBondContact NZ-O 3.06Å; K159-E273 VanDerWaalsContact NZ-O 3.07Å
160N92.7Very high92.7Very high2 Ų236.6 Ų36.61%0.01120%0.199CC..THydrogen-bonded Turntrans-87.21.5175.9-75-87.2000113.4L156 A157 L158 F174 I272 G275 K277 G278 M279L156-N160 PolarHBondContact O-N 3.25Å; L156-N160 VanDerWaalsContact O-N 3.1Å; L156-N160 PolarHBondContact O-ND2 3.44Å; A157-N160 PolarHBondContact O-N 3.16Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.42Å; N160-F174 HydrophobicContact CB-CE2 3.7Å; N160-F174 HydrophobicContact CB-CZ 4.29Å; N160-I272 PolarHBondContact ND2-O 3.39Å; N160-G275 VanDerWaalsContact OD1-C 3.23Å; N160-G275 WeakPolarHBondContact OD1-CA 3.44Å; N160-G275 PolarHBondContact OD1-O 2.95Å; N160-K277 WeakPolarHBondContact OD1-CB 3.17Å; N160-K277 PolarHBondContact OD1-N 3.41Å; N160-G278 CarbonylContact O-C 3.51Å; N160-G278 WeakPolarHBondContact O-CA 3.35Å; N160-G278 PolarHBondContact OD1-N 2.95Å; N160-M279 PolarHBondContact O-N 3.13Å
161S92.8Very high92.7Very high15 Ų1534.2 Ų34.211%0.10519%0.19CC..  trans-83125.5171.4-178.60000110.7A157 L158 K159 A163 G164 R165 L166A157-S161 PolarHBondContact O-N 3.5Å; L158-S161 WeakPolarHBondContact O-CB 3.28Å; L158-S161 PolarHBondContact O-N 3.05Å; K159-S161 VanDerWaalsContact C-N 3.33Å; S161-A163 PolarHBondContact O-N 3.43Å; S161-A163 VanDerWaalsContact O-N 3.07Å; S161-A163 PolarHBondContact OG-N 3Å; S161-G164 PolarHBondContact O-N 3.21Å; S161-R165 PolarHBondContact OG-O 2.67Å; S161-L166 WeakPolarHBondContact OG-CD2 3.49Å
162T89.2Confident92.6Very high154 Ų15435.3 Ų35.395%0.94519%0.192SC*.THydrogen-bonded Turntrans-57.7-23.5174.353.30000113.4
163A89.1Confident92.5Very high54 Ų5437.9 Ų37.945%0.44621%0.206SC..THydrogen-bonded Turntrans-100.50.5-179.800000114S161 R165S161-A163 PolarHBondContact O-N 3.43Å; S161-A163 VanDerWaalsContact O-N 3.07Å; S161-A163 PolarHBondContact OG-N 3Å; A163-R165 HydrophobicContact CB-CG 4.01Å; A163-R165 WeakPolarHBondContact O-CG 3.09Å; A163-R165 PolarHBondContact O-N 3.16Å; A163-R165 VanDerWaalsContact O-N 3.12Å; A163-R165 PolarHBondContact O-NE 2.88Å
164G90.8Very high92.3Very high36 Ų3637.6 Ų37.637%0.37121%0.205SC..SBendtrans649-173.800000115.1S161S161-G164 PolarHBondContact O-N 3.21Å
165R92.7Very high92.1Very high118 Ų11837.7 Ų37.745%0.44521%0.205SC..EExtended strand (participates in β ladder)trans-147.6147.4-174.263.4-162.7138.6160.7-2111.3S161 A163 L233 W234S161-R165 PolarHBondContact OG-O 2.67Å; A163-R165 HydrophobicContact CB-CG 4.01Å; A163-R165 WeakPolarHBondContact O-CG 3.09Å; A163-R165 PolarHBondContact O-N 3.16Å; A163-R165 VanDerWaalsContact O-N 3.12Å; A163-R165 PolarHBondContact O-NE 2.88Å; R165-L233 HydrophobicContact CB-CB 4.33Å; R165-L233 HydrophobicContact CG-CD1 4.14Å; R165-W234 CarbonylContact C-O 3.57Å; R165-W234 WeakPolarHBondContact CA-O 3.44Å; R165-W234 WeakPolarHBondContact CB-O 3.34Å
166L93.7Very high91.7Very high6 Ų640 Ų403%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-144.9154.5-175-69177000112.7A157 L158 S161 E170 I171 W234 M279A157-L166 HydrophobicContact CB-CD1 3.97Å; A157-L166 WeakPolarHBondContact O-CD1 3.36Å; L158-L166 HydrophobicContact CD2-CB 3.96Å; L158-L166 HydrophobicContact CD2-CD1 4.23Å; L158-L166 HydrophobicContact CD2-CG 4.09Å; S161-L166 WeakPolarHBondContact OG-CD2 3.49Å; L166-E170 WeakPolarHBondContact CA-OE2 3.3Å; L166-E170 HydrophobicContact CB-CB 4.27Å; L166-E170 HydrophobicContact CD2-CB 3.99Å; L166-I171 HydrophobicContact CB-CD1 4.42Å; L166-I171 HydrophobicContact CB-CG1 3.96Å; L166-I171 HydrophobicContact CD1-CG1 4.1Å; L166-W234 PolarHBondContact N-O 3.16Å; L166-W234 PolarHBondContact O-N 3.04Å; L166-M279 HydrophobicContact CD1-CE 3.66Å; L166-M279 HydrophobicContact CD1-SD 3.66Å; L166-M279 HydrophobicContact CD2-CE 3.69Å; L166-M279 HydrophobicContact CD2-CG 4.16Å; L166-M279 HydrophobicContact CD2-SD 3.97Å; L166-M279 HydrophobicContact CG-CE 4.34Å; L166-M279 HydrophobicContact CG-SD 4.45Å
167R93.1Very high91.2Very high116 Ų11642.2 Ų42.244%0.43823%0.234SC..  trans-77.6155.5165.6-59.4179.2-17792-1.4110.2S169 E170 I171 L233R167-S169 PolarHBondContact O-N 3.28Å; R167-S169 VanDerWaalsContact O-N 3.16Å; R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CD-OE1 3.42Å; R167-E170 IonicContact CZ-OE1 3.75Å; R167-E170 PolarHBondContact N-OE2 3.45Å; R167-E170 IonicContact NE-OE1 2.7Å; R167-E170 IonicContact NH1-OE1 3.8Å; R167-E170 PolarHBondContact NH1-OE1 2.84Å; R167-E170 WeakPolarHBondContact O-CB 3.49Å; R167-E170 PolarHBondContact O-N 3.1Å; R167-I171 PolarHBondContact O-N 2.66Å; R167-I171 VanDerWaalsContact O-N 3.13Å; R167-L233 HydrophobicContact CG-CD2 3.58Å
168V92.4Very high90.7Very high35 Ų3542.8 Ų42.821%0.21224%0.237CC..Hα-helixtrans-57.1-33.2176.8-174.20000112.4I171 Y172 R207 L210V168-I171 PolarHBondContact O-N 2.71Å; V168-Y172 HydrophobicContact CG1-CE1 3.88Å; V168-Y172 HydrophobicContact CG1-CE2 3.92Å; V168-Y172 WeakPolarHBondContact O-CD2 3.47Å; V168-Y172 PolarHBondContact O-N 3.15Å; V168-Y172 VanDerWaalsContact O-N 3.13Å; V168-R207 HydrophobicContact CG1-CG 4.25Å; V168-L210 HydrophobicContact CG1-CD1 4.31Å; V168-L210 HydrophobicContact CG2-CD1 4.09Å
169S90.2Very high90.1Very high49 Ų4942.7 Ų42.734%0.34324%0.236SC..Hα-helixtrans-63-43.3173.752.90000112.8R167 I171 Y172 D173R167-S169 PolarHBondContact O-N 3.28Å; R167-S169 VanDerWaalsContact O-N 3.16Å; S169-I171 VanDerWaalsContact C-N 3.31Å; S169-I171 PolarHBondContact O-N 2.76Å; S169-Y172 WeakPolarHBondContact O-CB 3.33Å; S169-Y172 PolarHBondContact O-N 2.95Å; S169-Y172 VanDerWaalsContact O-N 3.15Å; S169-D173 VanDerWaalsContact O-CG 3.23Å; S169-D173 PolarHBondContact O-N 3.29Å
170E92Very high89.3Confident46 Ų4640.9 Ų40.922%0.21523%0.229CC..Hα-helixtrans-69.4-32.7-178.1-66.9152-168.300110.9L166 R167 D173 F174 M279L166-E170 WeakPolarHBondContact CA-OE2 3.3Å; L166-E170 HydrophobicContact CB-CB 4.27Å; L166-E170 HydrophobicContact CD2-CB 3.99Å; R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CD-OE1 3.42Å; R167-E170 IonicContact CZ-OE1 3.75Å; R167-E170 PolarHBondContact N-OE2 3.45Å; R167-E170 IonicContact NE-OE1 2.7Å; R167-E170 IonicContact NH1-OE1 3.8Å; R167-E170 PolarHBondContact NH1-OE1 2.84Å; R167-E170 WeakPolarHBondContact O-CB 3.49Å; R167-E170 PolarHBondContact O-N 3.1Å; E170-D173 PolarHBondContact O-N 3.1Å; E170-F174 WeakPolarHBondContact O-CB 3.38Å; E170-F174 PolarHBondContact O-N 3.35Å; E170-M279 HydrophobicContact CB-CE 3.87Å; E170-M279 WeakPolarHBondContact O-CE 3.18Å
171I93Very high88.5Confident0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-65.1-41.7170.9-62.9169.4000110.9I154 L166 R167 V168 S169 D173 F174 I175 V206 L210 W234I154-I171 HydrophobicContact CG1-CG2 4.05Å; I154-I171 HydrophobicContact CG2-CD1 4.42Å; L166-I171 HydrophobicContact CB-CD1 4.42Å; L166-I171 HydrophobicContact CB-CG1 3.96Å; L166-I171 HydrophobicContact CD1-CG1 4.1Å; R167-I171 PolarHBondContact O-N 2.66Å; R167-I171 VanDerWaalsContact O-N 3.13Å; V168-I171 PolarHBondContact O-N 2.71Å; S169-I171 VanDerWaalsContact C-N 3.31Å; S169-I171 PolarHBondContact O-N 2.76Å; I171-D173 VanDerWaalsContact C-N 3.35Å; I171-F174 PolarHBondContact O-N 3.43Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 VanDerWaalsContact O-CG1 3.29Å; I171-I175 WeakPolarHBondContact O-CG1 3.14Å; I171-I175 PolarHBondContact O-N 2.8Å; I171-V206 HydrophobicContact CG2-CG1 3.99Å; I171-L210 HydrophobicContact CD1-CD1 4.19Å; I171-L210 HydrophobicContact CD1-CD2 4.1Å; I171-W234 HydrophobicContact CD1-CB 4.31Å
172Y91.8Very high87.6Confident36 Ų3644.8 Ų44.814%0.14124%0.244CC..Hα-helixtrans-62.1-44.3173.8-59.8-33.3000111.5V168 S169 I175 V176 W202 K203 V206 R207V168-Y172 HydrophobicContact CG1-CE1 3.88Å; V168-Y172 HydrophobicContact CG1-CE2 3.92Å; V168-Y172 WeakPolarHBondContact O-CD2 3.47Å; V168-Y172 PolarHBondContact O-N 3.15Å; V168-Y172 VanDerWaalsContact O-N 3.13Å; S169-Y172 WeakPolarHBondContact O-CB 3.33Å; S169-Y172 PolarHBondContact O-N 2.95Å; S169-Y172 VanDerWaalsContact O-N 3.15Å; Y172-I175 PolarHBondContact O-N 2.91Å; Y172-V176 WeakPolarHBondContact O-CB 3.48Å; Y172-V176 VanDerWaalsContact O-CG2 3.3Å; Y172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y172-V176 PolarHBondContact O-N 3.12Å; Y172-W202 AromaticContact CD1-CH2 3.91Å; Y172-W202 HydrophobicContact CD1-CH2 3.91Å; Y172-W202 AromaticContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CE1-CZ3 4.49Å; Y172-W202 HydrophobicContact CG-CH2 4.16Å; Y172-W202 HydrophobicContact CG-CZ3 4.43Å; Y172-K203 HydrophobicContact CD1-CG 4.12Å; Y172-K203 HydrophobicContact CD2-CD 4.44Å; Y172-K203 HydrophobicContact CE1-CB 3.86Å; Y172-K203 HydrophobicContact CE1-CG 3.96Å; Y172-K203 HydrophobicContact CE2-CD 4.34Å; Y172-V206 HydrophobicContact CD1-CG1 4.25Å; Y172-V206 HydrophobicContact CE1-CB 4.21Å; Y172-V206 HydrophobicContact CE1-CG1 3.98Å; Y172-R207 WeakPolarHBondContact OH-CD 3.48Å; Y172-R207 WeakPolarHBondContact OH-CG 3.35Å; Y172-R207 PolarHBondContact OH-NH1 3Å; Y172-R207 VanDerWaalsContact OH-NH1 3.12Å
173D90.2Very high86.6Confident53 Ų5337.9 Ų37.928%0.28320%0.201SC..Hα-helixtrans-61.6-42.4179.9-70.4-21000111.5S169 E170 I171 C177 V282S169-D173 VanDerWaalsContact O-CG 3.23Å; S169-D173 PolarHBondContact O-N 3.29Å; E170-D173 PolarHBondContact O-N 3.1Å; I171-D173 VanDerWaalsContact C-N 3.35Å; D173-C177 WeakPolarHBondContact O-CB 3.45Å; D173-C177 PolarHBondContact O-N 3.22Å; D173-V282 HydrophobicContact CB-CG2 3.72Å
174F91Very high85.6Confident0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-61.4-51173.2-173.8-86.7000112.5L156 A157 N160 E170 I171 V176 C177 F178 F179 I272 M279L156-F174 HydrophobicContact CB-CE1 4.15Å; L156-F174 HydrophobicContact CB-CZ 4.36Å; A157-F174 HydrophobicContact CB-CB 3.84Å; A157-F174 HydrophobicContact CB-CD1 3.4Å; A157-F174 VanDerWaalsContact CB-CD1 3.4Å; A157-F174 HydrophobicContact CB-CD2 4.12Å; A157-F174 HydrophobicContact CB-CE1 3.92Å; A157-F174 HydrophobicContact CB-CG 3.51Å; A157-F174 HydrophobicContact CB-CZ 4.49Å; N160-F174 HydrophobicContact CB-CE2 3.7Å; N160-F174 HydrophobicContact CB-CZ 4.29Å; E170-F174 WeakPolarHBondContact O-CB 3.38Å; E170-F174 PolarHBondContact O-N 3.35Å; I171-F174 PolarHBondContact O-N 3.43Å; F174-V176 VanDerWaalsContact C-N 3.33Å; F174-V176 PolarHBondContact O-N 3.47Å; F174-C177 PolarHBondContact O-N 3.36Å; F174-F178 HydrophobicContact CD1-CD2 4.17Å; F174-F178 AromaticContact CD2-CD2 3.51Å; F174-F178 HydrophobicContact CD2-CD2 3.51Å; F174-F178 AromaticContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CE1-CD2 4.05Å; F174-F178 AromaticContact CE2-CD2 3.35Å; F174-F178 HydrophobicContact CE2-CD2 3.35Å; F174-F178 AromaticContact CE2-CE2 3.37Å; F174-F178 HydrophobicContact CE2-CE2 3.37Å; F174-F178 AromaticContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CE2 4.43Å; F174-F178 AromaticContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CE2 4.06Å; F174-F178 HydrophobicContact CZ-CG 4.47Å; F174-F178 PolarHBondContact O-N 2.92Å; F174-F179 HydrophobicContact CD1-CE2 4.44Å; F174-F179 AromaticContact CE1-CE2 3.88Å; F174-F179 HydrophobicContact CE1-CE2 3.88Å; F174-I272 HydrophobicContact CZ-CG2 4.12Å; F174-M279 HydrophobicContact CB-CE 4.1Å; F174-M279 HydrophobicContact CB-SD 4.41Å; F174-M279 HydrophobicContact CD2-CE 4.42Å; F174-M279 HydrophobicContact CD2-SD 3.69Å; F174-M279 HydrophobicContact CE2-SD 4.45Å; F174-M279 HydrophobicContact CG-SD 4.43Å
175I88.9Confident84.5Confident2 Ų242.4 Ų42.41%0.0120%0.197CC..Hα-helixtrans-61.7-43.3-179-68.6171.6000110.6M153 I171 Y172 F179 L180 W202 V206M153-I175 HydrophobicContact CB-CD1 4.25Å; M153-I175 HydrophobicContact CB-CG1 4.16Å; M153-I175 HydrophobicContact SD-CG2 4.27Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 VanDerWaalsContact O-CG1 3.29Å; I171-I175 WeakPolarHBondContact O-CG1 3.14Å; I171-I175 PolarHBondContact O-N 2.8Å; Y172-I175 PolarHBondContact O-N 2.91Å; I175-F179 WeakPolarHBondContact O-CB 3.35Å; I175-F179 PolarHBondContact O-N 3.27Å; I175-L180 HydrophobicContact CG2-CD1 4.05Å; I175-L180 HydrophobicContact CG2-CG 4.2Å; I175-L180 PolarHBondContact O-N 2.89Å; I175-L180 VanDerWaalsContact O-N 3.13Å; I175-W202 HydrophobicContact CB-CH2 4.43Å; I175-W202 HydrophobicContact CB-CZ3 4.17Å; I175-W202 HydrophobicContact CD1-CZ3 4.28Å; I175-W202 HydrophobicContact CG2-CE3 4.35Å; I175-W202 HydrophobicContact CG2-CH2 4.31Å; I175-W202 HydrophobicContact CG2-CZ3 3.92Å; I175-V206 HydrophobicContact CD1-CG2 3.73Å
176V85.9Confident83.3Confident50 Ų5042 Ų4230%0.30320%0.2SC..Iπ-helixtrans-63.3-51.4176.5172.10000110.6Y172 F174 F178 L180 D181 W202Y172-V176 WeakPolarHBondContact O-CB 3.48Å; Y172-V176 VanDerWaalsContact O-CG2 3.3Å; Y172-V176 WeakPolarHBondContact O-CG2 3.49Å; Y172-V176 PolarHBondContact O-N 3.12Å; F174-V176 VanDerWaalsContact C-N 3.33Å; F174-V176 PolarHBondContact O-N 3.47Å; V176-F178 PolarHBondContact O-N 3.49Å; V176-L180 HydrophobicContact CG2-CD1 4.3Å; V176-L180 CarbonylContact O-C 3.6Å; V176-L180 PolarHBondContact O-N 3.28Å; V176-D181 WeakPolarHBondContact O-CB 3.41Å; V176-D181 PolarHBondContact O-N 3.2Å; V176-W202 HydrophobicContact CG2-CH2 3.79Å; V176-W202 HydrophobicContact CG2-CZ2 3.54Å
177C84.9Confident81.7Confident46 Ų4645.6 Ų45.631%0.31122%0.215SC..Iπ-helixtrans-68.4-35.6-172.5-166.80000113.9D173 F174 D181 A264 P280D173-C177 WeakPolarHBondContact O-CB 3.45Å; D173-C177 PolarHBondContact O-N 3.22Å; F174-C177 PolarHBondContact O-N 3.36Å; C177-D181 WeakPolarHBondContact O-CB 3.45Å; C177-A264 VanDerWaalsContact O-CB 3.26Å; C177-A264 WeakPolarHBondContact O-CB 3.46Å; C177-P280 HydrophobicContact CB-CB 3.69Å; C177-P280 HydrophobicContact CB-CG 3.86Å; C177-P280 VanDerWaalsContact SG-CB 3.57Å
178F83.6Confident80.1Confident12 Ų1245.5 Ų45.55%0.05322%0.215CC..Iπ-helixtrans-98.3-41.5-176-72.6-62.5000114.2F174 V176 L263 A264 I272 K277 P280F174-F178 HydrophobicContact CD1-CD2 4.17Å; F174-F178 AromaticContact CD2-CD2 3.51Å; F174-F178 HydrophobicContact CD2-CD2 3.51Å; F174-F178 AromaticContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CD2-CE2 3.6Å; F174-F178 HydrophobicContact CE1-CD2 4.05Å; F174-F178 AromaticContact CE2-CD2 3.35Å; F174-F178 HydrophobicContact CE2-CD2 3.35Å; F174-F178 AromaticContact CE2-CE2 3.37Å; F174-F178 HydrophobicContact CE2-CE2 3.37Å; F174-F178 AromaticContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CD2 3.93Å; F174-F178 HydrophobicContact CG-CE2 4.43Å; F174-F178 AromaticContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CD2 3.64Å; F174-F178 HydrophobicContact CZ-CE2 4.06Å; F174-F178 HydrophobicContact CZ-CG 4.47Å; F174-F178 PolarHBondContact O-N 2.92Å; V176-F178 PolarHBondContact O-N 3.49Å; F178-L263 HydrophobicContact CB-CD2 4.47Å; F178-L263 CarbonylContact O-C 3.44Å; F178-L263 WeakPolarHBondContact O-CA 3.49Å; F178-L263 WeakPolarHBondContact O-CD2 3.33Å; F178-A264 PolarHBondContact O-N 3.5Å; F178-I272 HydrophobicContact CB-CD1 4.33Å; F178-I272 HydrophobicContact CD1-CD1 3.59Å; F178-I272 HydrophobicContact CD1-CG1 4.35Å; F178-I272 HydrophobicContact CE1-CD1 4.05Å; F178-I272 HydrophobicContact CE1-CG1 4.43Å; F178-I272 HydrophobicContact CG-CD1 4Å; F178-K277 HydrophobicContact CE1-CD 4.42Å; F178-K277 HydrophobicContact CE1-CG 3.69Å; F178-K277 HydrophobicContact CZ-CG 3.53Å; F178-P280 HydrophobicContact CE2-CB 4.41Å; F178-P280 HydrophobicContact CE2-CG 4.39Å
179F80.9Confident78.2Confident2 Ų248.4 Ų48.41%0.00924%0.237CC..Iπ-helixtrans-105.5-20.3-172.3-64.2-64.2000114.8P146 Y148 M153 L156 F174 I175 I183 S262 L263P146-F179 HydrophobicContact CG-CB 4Å; Y148-F179 HydrophobicContact CD2-CD1 4.28Å; Y148-F179 AromaticContact CD2-CE1 3.52Å; Y148-F179 HydrophobicContact CD2-CE1 3.52Å; Y148-F179 AromaticContact CD2-CZ 3.91Å; Y148-F179 HydrophobicContact CD2-CZ 3.91Å; Y148-F179 AromaticContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CE1 3.66Å; Y148-F179 HydrophobicContact CE2-CZ 4.07Å; M153-F179 HydrophobicContact CB-CD2 4.28Å; M153-F179 HydrophobicContact CB-CE2 4.1Å; M153-F179 HydrophobicContact CG-CD2 3.76Å; M153-F179 HydrophobicContact CG-CE2 3.74Å; M153-F179 HydrophobicContact CG-CG 4.33Å; M153-F179 HydrophobicContact CG-CZ 4.32Å; M153-F179 HydrophobicContact SD-CB 4.2Å; M153-F179 HydrophobicContact SD-CD2 3.83Å; M153-F179 HydrophobicContact SD-CE2 4.43Å; M153-F179 HydrophobicContact SD-CG 4.04Å; L156-F179 HydrophobicContact CD1-CE2 4.46Å; L156-F179 HydrophobicContact CD1-CZ 3.75Å; F174-F179 HydrophobicContact CD1-CE2 4.44Å; F174-F179 AromaticContact CE1-CE2 3.88Å; F174-F179 HydrophobicContact CE1-CE2 3.88Å; I175-F179 WeakPolarHBondContact O-CB 3.35Å; I175-F179 PolarHBondContact O-N 3.27Å; F179-I183 WeakPolarHBondContact O-CD1 3.35Å; F179-S262 CarbonylContact C-O 3.46Å; F179-L263 HydrophobicContact CD1-CD2 3.71Å; F179-L263 HydrophobicContact CE1-CD2 3.55Å; F179-L263 HydrophobicContact CE1-CG 4.45Å; F179-L263 HydrophobicContact CZ-CD2 4.42Å
180L77Confident76.3Confident27 Ų2753.5 Ų53.514%0.14126%0.255CS..Iπ-helixtrans-111.2-20.1-179-52.5177.8000113P146 I175 V176 R182 I183 I184 W202P146-L180 HydrophobicContact CG-CD2 4.46Å; I175-L180 HydrophobicContact CG2-CD1 4.05Å; I175-L180 HydrophobicContact CG2-CG 4.2Å; I175-L180 PolarHBondContact O-N 2.89Å; I175-L180 VanDerWaalsContact O-N 3.13Å; V176-L180 HydrophobicContact CG2-CD1 4.3Å; V176-L180 CarbonylContact O-C 3.6Å; V176-L180 PolarHBondContact O-N 3.28Å; L180-R182 PolarHBondContact O-N 2.82Å; L180-I183 HydrophobicContact CD2-CD1 4.17Å; L180-I183 PolarHBondContact O-N 3.1Å; L180-I184 HydrophobicContact CB-CD1 3.62Å; L180-I184 HydrophobicContact CB-CG1 4.15Å; L180-I184 WeakPolarHBondContact O-CA 3.47Å; L180-I184 WeakPolarHBondContact O-CB 3.15Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 3.1Å; L180-W202 HydrophobicContact CD1-CD2 4.4Å; L180-W202 HydrophobicContact CD1-CZ2 4.17Å
181D76.5Confident74.1Confident36 Ų3657.4 Ų57.419%0.19328%0.277CS..Hα-helixtrans-63.1-40.5-173.3-179.659.9000113V176 C177 R185 A264V176-D181 WeakPolarHBondContact O-CB 3.41Å; V176-D181 PolarHBondContact O-N 3.2Å; C177-D181 WeakPolarHBondContact O-CB 3.45Å; D181-R185 VanDerWaalsContact CG-NH2 3.31Å; D181-R185 WeakPolarHBondContact O-CB 3.37Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 3.14Å; D181-R185 IonicContact OD1-CZ 2.99Å; D181-R185 IonicContact OD1-NE 3.77Å; D181-R185 PolarHBondContact OD1-NE 3.39Å; D181-R185 IonicContact OD1-NH2 3.61Å; D181-R185 PolarHBondContact OD1-NH2 3.18Å; D181-R185 VanDerWaalsContact OD1-NH2 3.12Å; D181-R185 IonicContact OD2-CZ 3.45Å; D181-R185 IonicContact OD2-NE 3.43Å; D181-R185 PolarHBondContact OD2-NE 3.07Å; D181-R185 IonicContact OD2-NH1 2.71Å; D181-R185 IonicContact OD2-NH2 2.66Å; D181-R185 PolarHBondContact OD2-NH2 3.29Å; D181-A264 HydrophobicContact CB-CB 4.16Å
182R72Confident71.7Confident63 Ų6362.5 Ų62.524%0.23830%0.3CS..Hα-helixtrans-62.9-56.7170.5172.7168.7172.3-169.5-11.4111.4L180 I184 R185 E186 K260 D261 L263L180-R182 PolarHBondContact O-N 2.82Å; R182-I184 PolarHBondContact O-N 2.91Å; R182-R185 PolarHBondContact O-N 3.39Å; R182-E186 WeakPolarHBondContact CG-OE2 3.35Å; R182-E186 IonicContact CZ-OE2 2.85Å; R182-E186 IonicContact NE-OE2 2.71Å; R182-E186 PolarHBondContact NE-OE2 3.21Å; R182-E186 IonicContact NH2-OE2 2.94Å; R182-E186 VanDerWaalsContact O-CB 3.26Å; R182-E186 WeakPolarHBondContact O-CB 3.28Å; R182-E186 PolarHBondContact O-N 3.11Å; R182-K260 PolarHBondContact NH1-O 2.93Å; R182-D261 VanDerWaalsContact CD-O 3.3Å; R182-D261 WeakPolarHBondContact CD-O 3.01Å; R182-D261 VanDerWaalsContact CZ-O 3.26Å; R182-D261 IonicContact CZ-OD1 3.99Å; R182-D261 PolarHBondContact NE-O 2.91Å; R182-D261 PolarHBondContact NH1-O 3.01Å; R182-D261 IonicContact NH1-OD1 3.39Å; R182-D261 PolarHBondContact NH1-OD1 2.91Å; R182-D261 IonicContact NH2-OD1 2.69Å; R182-D261 PolarHBondContact NH2-OD1 3.09Å; R182-L263 WeakPolarHBondContact CB-O 3.4Å; R182-L263 VanDerWaalsContact CD-O 3.24Å; R182-L263 WeakPolarHBondContact CD-O 3.42Å
183I68.6Low69.5Low8 Ų866.6 Ų66.64%0.04133%0.331CS..Hα-helixtrans-49.2-46.1178-64.6169.2000111.1Y143 P144 P146 F179 L180 F187Y143-I183 HydrophobicContact CD1-CG2 3.63Å; Y143-I183 HydrophobicContact CG-CG2 4.11Å; P144-I183 HydrophobicContact CG-CG1 4.42Å; P144-I183 WeakPolarHBondContact O-CD1 3.3Å; P146-I183 HydrophobicContact CG-CD1 3.98Å; F179-I183 WeakPolarHBondContact O-CD1 3.35Å; L180-I183 HydrophobicContact CD2-CD1 4.17Å; L180-I183 PolarHBondContact O-N 3.1Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 PolarHBondContact O-N 3.38Å
184I68.4Low67.4Low15 Ų1572.4 Ų72.48%0.07735%0.354CS..Hα-helixtrans-68-41.8-179.5-75.1171.4000110.7L180 R182 R188 A198L180-I184 HydrophobicContact CB-CD1 3.62Å; L180-I184 HydrophobicContact CB-CG1 4.15Å; L180-I184 WeakPolarHBondContact O-CA 3.47Å; L180-I184 WeakPolarHBondContact O-CB 3.15Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 3.1Å; R182-I184 PolarHBondContact O-N 2.91Å; I184-R188 HydrophobicContact CG2-CG 4.27Å; I184-R188 VanDerWaalsContact CG2-NE 3.26Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CD 3.12Å; I184-R188 WeakPolarHBondContact O-CG 3.4Å; I184-R188 PolarHBondContact O-N 3.18Å; I184-A198 HydrophobicContact CD1-CB 4.26Å
185R68.6Low65.1Low171 Ų17178.1 Ų78.165%0.64538%0.379SS*.Hα-helixtrans-69.5-44.2177.2-73.8171.4-167.9-162.18.8112.1D181 R182 R188D181-R185 VanDerWaalsContact CG-NH2 3.31Å; D181-R185 WeakPolarHBondContact O-CB 3.37Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 3.14Å; D181-R185 IonicContact OD1-CZ 2.99Å; D181-R185 IonicContact OD1-NE 3.77Å; D181-R185 PolarHBondContact OD1-NE 3.39Å; D181-R185 IonicContact OD1-NH2 3.61Å; D181-R185 PolarHBondContact OD1-NH2 3.18Å; D181-R185 VanDerWaalsContact OD1-NH2 3.12Å; D181-R185 IonicContact OD2-CZ 3.45Å; D181-R185 IonicContact OD2-NE 3.43Å; D181-R185 PolarHBondContact OD2-NE 3.07Å; D181-R185 IonicContact OD2-NH1 2.71Å; D181-R185 IonicContact OD2-NH2 2.66Å; D181-R185 PolarHBondContact OD2-NH2 3.29Å; R182-R185 PolarHBondContact O-N 3.39Å; R185-R188 PolarHBondContact O-N 2.9Å
186E66.4Low63.1Low109 Ų10980 Ų8051%0.50939%0.39SS..Hα-helixtrans-65-44.4-177-161.6165.9164.400110.8R182 S189R182-E186 WeakPolarHBondContact CG-OE2 3.35Å; R182-E186 IonicContact CZ-OE2 2.85Å; R182-E186 IonicContact NE-OE2 2.71Å; R182-E186 PolarHBondContact NE-OE2 3.21Å; R182-E186 IonicContact NH2-OE2 2.94Å; R182-E186 VanDerWaalsContact O-CB 3.26Å; R182-E186 WeakPolarHBondContact O-CB 3.28Å; R182-E186 PolarHBondContact O-N 3.11Å; E186-S189 PolarHBondContact O-OG 2.89Å
187F60.8Low61.4Low82 Ų8282.3 Ų82.336%0.3641%0.405SS..Hα-helixtrans-88.4-2.6175.3-78.8-105000115.1Y143 P144 I183 S189Y143-F187 HydrophobicContact CD1-CB 3.67Å; Y143-F187 HydrophobicContact CD1-CD1 4.33Å; Y143-F187 HydrophobicContact CD1-CD2 4.41Å; Y143-F187 AromaticContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CD1-CG 3.9Å; Y143-F187 HydrophobicContact CE1-CB 3.46Å; Y143-F187 VanDerWaalsContact CE1-CB 3.46Å; Y143-F187 HydrophobicContact CE1-CG 4.17Å; P144-F187 HydrophobicContact CG-CE2 3.97Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 PolarHBondContact O-N 3.38Å; F187-S189 VanDerWaalsContact C-N 3.32Å
188R58.5Low60Low114 Ų11481.6 Ų81.643%0.4340%0.402SS..THydrogen-bonded Turntrans-87.51.6169.8-89.5175.5-178.6170.6-0.7113.8I184 R185 E190 V196I184-R188 HydrophobicContact CG2-CG 4.27Å; I184-R188 VanDerWaalsContact CG2-NE 3.26Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CD 3.12Å; I184-R188 WeakPolarHBondContact O-CG 3.4Å; I184-R188 PolarHBondContact O-N 3.18Å; R185-R188 PolarHBondContact O-N 2.9Å; R188-E190 PolarHBondContact O-N 3.48Å; R188-V196 HydrophobicContact CG-CB 4.08Å; R188-V196 HydrophobicContact CG-CG1 3.67Å; R188-V196 HydrophobicContact CG-CG2 4.32Å; R188-V196 PolarHBondContact NH2-O 3.37Å
189S53.5Low58.9Low96 Ų9684.5 Ų84.567%0.67142%0.422SS*.  trans-59.7-17.4-17642.70000113.8E186 F187E186-S189 PolarHBondContact O-OG 2.89Å; F187-S189 VanDerWaalsContact C-N 3.32Å
190E50.1Low58.1Low155 Ų15588.8 Ų88.872%0.72445%0.453SS*.SBendtrans-114.1105.5179-66.1-177.1-163.300112.6R188R188-E190 PolarHBondContact O-N 3.48Å
191N46Very low58.3Low128 Ų12889.5 Ų89.568%0.68447%0.466SS*.SBendtrans68.2118.9156.1-53-68000118.7
192F43.2Very low58.7Low107 Ų10788.5 Ų88.547%0.46946%0.46SS..  trans7182.2165.8-66.8-78.5000120F194 V196 Y320F192-F194 PolarHBondContact O-N 3.4Å; F192-V196 VanDerWaalsContact O-CG2 3.24Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; F192-Y320 HydrophobicContact CD1-CE1 4.38Å; F192-Y320 AromaticContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD2 4.43Å; F192-Y320 AromaticContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE2 4.22Å; F192-Y320 HydrophobicContact CE1-CG 4.22Å; F192-Y320 AromaticContact CE1-CZ 3.75Å; F192-Y320 HydrophobicContact CE2-CE1 4.25Å; F192-Y320 AromaticContact CE2-CE2 3.8Å; F192-Y320 HydrophobicContact CE2-CE2 3.8Å; F192-Y320 AromaticContact CE2-CZ 3.61Å; F192-Y320 AromaticContact CZ-CD1 3.84Å; F192-Y320 HydrophobicContact CZ-CD1 3.84Å; F192-Y320 AromaticContact CZ-CD2 3.7Å; F192-Y320 HydrophobicContact CZ-CD2 3.7Å; F192-Y320 AromaticContact CZ-CE1 3.45Å; F192-Y320 HydrophobicContact CZ-CE1 3.45Å; F192-Y320 VanDerWaalsContact CZ-CE1 3.45Å; F192-Y320 AromaticContact CZ-CE2 3.31Å; F192-Y320 HydrophobicContact CZ-CE2 3.31Å; F192-Y320 AromaticContact CZ-CG 3.95Å; F192-Y320 HydrophobicContact CZ-CG 3.95Å; F192-Y320 AromaticContact CZ-CZ 3.17Å
193P45.5Very low59.5Low122 Ų12289.7 Ų89.779%0.79247%0.466SS*.THydrogen-bonded Turntrans-81.580.8171.735.3-34.8000112.4
194F45.2Very low60.5Low175 Ų17593.7 Ų93.777%0.76849%0.488SS*.THydrogen-bonded Turntrans-137.1-32.5166.3-150.1-107.4000114.7F192F192-F194 PolarHBondContact O-N 3.4Å
195F42.3Very low61.6Low121 Ų12194.9 Ų94.953%0.53150%0.498SS..SBendtrans-131.55.1-178.9-71.9-66.9000115.5Y48 T197Y48-F195 HydrophobicContact CE1-CE1 4.15Å; F195-T197 PolarHBondContact O-N 2.81Å
196V47.1Very low62.7Low41 Ų4186.8 Ų86.825%0.24847%0.467CS..  trans-53.8114.7-159.4-177.50000113.8R188 F192 A198R188-V196 HydrophobicContact CG-CB 4.08Å; R188-V196 HydrophobicContact CG-CG1 3.67Å; R188-V196 HydrophobicContact CG-CG2 4.32Å; R188-V196 PolarHBondContact NH2-O 3.37Å; F192-V196 VanDerWaalsContact O-CG2 3.24Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; V196-A198 PolarHBondContact O-N 2.92Å
197T50.8Low64Low98 Ų9885.5 Ų85.560%0.60146%0.458SS*.  trans-78.4104.3-158.2-39.10000112.4F195F195-T197 PolarHBondContact O-N 2.81Å
198A54.9Low65.6Low32 Ų3286.4 Ų86.426%0.26446%0.463SS..  trans-62130.2157.600000107.7I184 V196 S200I184-A198 HydrophobicContact CD1-CB 4.26Å; V196-A198 PolarHBondContact O-N 2.92Å; A198-S200 PolarHBondContact O-N 3.34Å
199P59.7Low67.3Low73 Ų7382.3 Ų82.347%0.47445%0.449SS..  trans-58.6114.6-16315.8-28.3000111.9G201 W202P199-G201 PolarHBondContact O-N 2.98Å; P199-W202 PolarHBondContact O-N 3.17Å
200S65Low69.1Low92 Ų9277.8 Ų77.864%0.64342%0.418SS*.THydrogen-bonded Turntrans-51.9-30.2-168.854.70000113.9A198 W202A198-S200 PolarHBondContact O-N 3.34Å; S200-W202 PolarHBondContact O-N 2.73Å
201G80.6Confident71.1Confident41 Ų4174.8 Ų74.842%0.42341%0.414SS..Hα-helixtrans-59.6-31.717400000116.1P199 K203 N204 S205P199-G201 PolarHBondContact O-N 2.98Å; G201-K203 VanDerWaalsContact C-N 3.28Å; G201-K203 PolarHBondContact O-N 3.02Å; G201-N204 WeakPolarHBondContact O-CA 3.46Å; G201-N204 VanDerWaalsContact O-CB 3.28Å; G201-N204 WeakPolarHBondContact O-CB 3.29Å; G201-N204 PolarHBondContact O-N 3.45Å; G201-S205 PolarHBondContact O-N 3.28Å; G201-S205 PolarHBondContact O-OG 3.49Å
202W85.4Confident73.3Confident15 Ų1573.4 Ų73.46%0.05741%0.406CS..Hα-helixtrans-63.9-35.1-175.577.6-107.8000112.2Y150 Y172 I175 V176 L180 P199 S200 N204 S205 V206Y150-W202 HydrophobicContact CE1-CB 4.33Å; Y150-W202 WeakPolarHBondContact OH-CB 3.5Å; Y172-W202 AromaticContact CD1-CH2 3.91Å; Y172-W202 HydrophobicContact CD1-CH2 3.91Å; Y172-W202 AromaticContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CD1-CZ3 3.72Å; Y172-W202 HydrophobicContact CE1-CZ3 4.49Å; Y172-W202 HydrophobicContact CG-CH2 4.16Å; Y172-W202 HydrophobicContact CG-CZ3 4.43Å; I175-W202 HydrophobicContact CB-CH2 4.43Å; I175-W202 HydrophobicContact CB-CZ3 4.17Å; I175-W202 HydrophobicContact CD1-CZ3 4.28Å; I175-W202 HydrophobicContact CG2-CE3 4.35Å; I175-W202 HydrophobicContact CG2-CH2 4.31Å; I175-W202 HydrophobicContact CG2-CZ3 3.92Å; V176-W202 HydrophobicContact CG2-CH2 3.79Å; V176-W202 HydrophobicContact CG2-CZ2 3.54Å; L180-W202 HydrophobicContact CD1-CD2 4.4Å; L180-W202 HydrophobicContact CD1-CZ2 4.17Å; P199-W202 PolarHBondContact O-N 3.17Å; S200-W202 PolarHBondContact O-N 2.73Å; W202-N204 VanDerWaalsContact C-N 3.25Å; W202-N204 PolarHBondContact O-N 3.16Å; W202-S205 WeakPolarHBondContact O-CB 3.47Å; W202-S205 PolarHBondContact O-N 3.05Å; W202-V206 HydrophobicContact CE3-CG2 3.81Å; W202-V206 HydrophobicContact CZ3-CG2 4.02Å; W202-V206 WeakPolarHBondContact O-CG2 3.45Å; W202-V206 PolarHBondContact O-N 3.45Å
203K88.8Confident75.6Confident88 Ų8870.1 Ų70.138%0.38339%0.393SS..Hα-helixtrans-64.1-32.6174.3-66.8-176.1179.8176.80111.6Y172 G201 R207Y172-K203 HydrophobicContact CD1-CG 4.12Å; Y172-K203 HydrophobicContact CD2-CD 4.44Å; Y172-K203 HydrophobicContact CE1-CB 3.86Å; Y172-K203 HydrophobicContact CE1-CG 3.96Å; Y172-K203 HydrophobicContact CE2-CD 4.34Å; G201-K203 VanDerWaalsContact C-N 3.28Å; G201-K203 PolarHBondContact O-N 3.02Å; K203-R207 WeakPolarHBondContact O-CG 3.48Å; K203-R207 PolarHBondContact O-N 3.13Å; K203-R207 PolarHBondContact O-NH1 3.16Å
204N89.6Confident77.8Confident93 Ų9372.2 Ų72.250%0.49739%0.39SS..Hα-helixtrans-69.7-44.7173.4-161.338.3000111G201 W202 V206 R207 H208G201-N204 WeakPolarHBondContact O-CA 3.46Å; G201-N204 VanDerWaalsContact O-CB 3.28Å; G201-N204 WeakPolarHBondContact O-CB 3.29Å; G201-N204 PolarHBondContact O-N 3.45Å; W202-N204 VanDerWaalsContact C-N 3.25Å; W202-N204 PolarHBondContact O-N 3.16Å; N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 3.49Å; N204-R207 PolarHBondContact O-N 3.31Å; N204-R207 PolarHBondContact OD1-NH2 2.78Å; N204-H208 WeakPolarHBondContact O-CB 3.44Å; N204-H208 PolarHBondContact O-N 3.43Å
205S91.8Very high80Confident40 Ų4064.6 Ų64.628%0.2836%0.358SS..Hα-helixtrans-57.9-39.1174.6-520000112.6G201 W202 N209G201-S205 PolarHBondContact O-N 3.28Å; G201-S205 PolarHBondContact O-OG 3.49Å; W202-S205 WeakPolarHBondContact O-CB 3.47Å; W202-S205 PolarHBondContact O-N 3.05Å; S205-N209 WeakPolarHBondContact O-CB 3.48Å; S205-N209 PolarHBondContact O-N 2.86Å; S205-N209 PolarHBondContact O-ND2 3.44Å
206V91.8Very high82.5Confident0 Ų059.2 Ų59.20%034%0.335CS..Hα-helixtrans-63.9-48.9174.3168.70000111.5Y150 I154 I171 Y172 I175 W202 N204 H208 N209 L210Y150-V206 HydrophobicContact CD1-CG2 3.7Å; Y150-V206 HydrophobicContact CE1-CG2 4.09Å; I154-V206 HydrophobicContact CD1-CG1 4.2Å; I154-V206 HydrophobicContact CG1-CG1 4.28Å; I171-V206 HydrophobicContact CG2-CG1 3.99Å; Y172-V206 HydrophobicContact CD1-CG1 4.25Å; Y172-V206 HydrophobicContact CE1-CB 4.21Å; Y172-V206 HydrophobicContact CE1-CG1 3.98Å; I175-V206 HydrophobicContact CD1-CG2 3.73Å; W202-V206 HydrophobicContact CE3-CG2 3.81Å; W202-V206 HydrophobicContact CZ3-CG2 4.02Å; W202-V206 WeakPolarHBondContact O-CG2 3.45Å; W202-V206 PolarHBondContact O-N 3.45Å; N204-V206 VanDerWaalsContact C-N 3.29Å; N204-V206 PolarHBondContact O-N 3.49Å; V206-H208 VanDerWaalsContact C-N 3.32Å; V206-H208 PolarHBondContact O-N 2.97Å; V206-N209 PolarHBondContact O-N 3.25Å; V206-L210 HydrophobicContact CG1-CD1 4.32Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 2.98Å
207R93.7Very high84.7Confident83 Ų8360.8 Ų60.831%0.31334%0.341SS..Hα-helixtrans-60.2-41.5176.9-69.5-172.5-54.9-92.48.7112.6V168 Y172 K203 N204 L210 S211V168-R207 HydrophobicContact CG1-CG 4.25Å; Y172-R207 WeakPolarHBondContact OH-CD 3.48Å; Y172-R207 WeakPolarHBondContact OH-CG 3.35Å; Y172-R207 PolarHBondContact OH-NH1 3Å; Y172-R207 VanDerWaalsContact OH-NH1 3.12Å; K203-R207 WeakPolarHBondContact O-CG 3.48Å; K203-R207 PolarHBondContact O-N 3.13Å; K203-R207 PolarHBondContact O-NH1 3.16Å; N204-R207 PolarHBondContact O-N 3.31Å; N204-R207 PolarHBondContact OD1-NH2 2.78Å; R207-L210 PolarHBondContact O-N 3.31Å; R207-S211 PolarHBondContact O-N 3.44Å; R207-S211 PolarHBondContact O-OG 2.98Å
208H93.3Very high86.8Confident100 Ų10061.5 Ų61.546%0.46334%0.336SS..Hα-helixtrans-63.4-41.4175.2172.374.9000112N204 V206 L210 S211 L212N204-H208 WeakPolarHBondContact O-CB 3.44Å; N204-H208 PolarHBondContact O-N 3.43Å; V206-H208 VanDerWaalsContact C-N 3.32Å; V206-H208 PolarHBondContact O-N 2.97Å; H208-L210 VanDerWaalsContact C-N 3.34Å; H208-L210 PolarHBondContact O-N 3.04Å; H208-S211 PolarHBondContact O-N 2.75Å; H208-S211 PolarHBondContact O-OG 2.92Å; H208-L212 WeakPolarHBondContact NE2-CD1 3.42Å; H208-L212 WeakPolarHBondContact O-CB 3.46Å; H208-L212 PolarHBondContact O-N 2.82Å
209N94.3Very high88.5Confident28 Ų2862.8 Ų62.815%0.1534%0.338CS..Hα-helixtrans-68.2-32.5176.8-86.7-91.4000112.8S151 I154 S205 V206 N213S151-N209 PolarHBondContact OG-OD1 3.09Å; I154-N209 HydrophobicContact CD1-CB 3.84Å; S205-N209 WeakPolarHBondContact O-CB 3.48Å; S205-N209 PolarHBondContact O-N 2.86Å; S205-N209 PolarHBondContact O-ND2 3.44Å; V206-N209 PolarHBondContact O-N 3.25Å; N209-N213 WeakPolarHBondContact O-CB 3.36Å; N209-N213 PolarHBondContact O-N 3.26Å; N209-N213 VanDerWaalsContact O-N 3.16Å; N209-N213 PolarHBondContact O-ND2 3.39Å; N209-N213 PolarHBondContact OD1-ND2 2.68Å; N209-N213 VanDerWaalsContact OD1-ND2 3.07Å
210L92.6Very high89.8Confident2 Ų265.1 Ų65.11%0.0134%0.342CS..Hα-helixtrans-63.9-41.9173.4-72.4170000112.1I154 V168 I171 V206 R207 H208 F216 W234I154-L210 HydrophobicContact CD1-CD2 4.12Å; I154-L210 HydrophobicContact CD1-CG 4.08Å; I154-L210 HydrophobicContact CG2-CD2 3.65Å; V168-L210 HydrophobicContact CG1-CD1 4.31Å; V168-L210 HydrophobicContact CG2-CD1 4.09Å; I171-L210 HydrophobicContact CD1-CD1 4.19Å; I171-L210 HydrophobicContact CD1-CD2 4.1Å; V206-L210 HydrophobicContact CG1-CD1 4.32Å; V206-L210 WeakPolarHBondContact O-CG 3.37Å; V206-L210 PolarHBondContact O-N 2.98Å; R207-L210 PolarHBondContact O-N 3.31Å; H208-L210 VanDerWaalsContact C-N 3.34Å; H208-L210 PolarHBondContact O-N 3.04Å; L210-F216 HydrophobicContact CD2-CB 4.27Å; L210-F216 HydrophobicContact CD2-CD2 4.23Å; L210-F216 HydrophobicContact CD2-CG 4.15Å; L210-W234 HydrophobicContact CB-CD2 4.13Å; L210-W234 HydrophobicContact CB-CE3 4.09Å; L210-W234 HydrophobicContact CB-CH2 3.88Å; L210-W234 HydrophobicContact CB-CZ2 3.94Å; L210-W234 HydrophobicContact CB-CZ3 3.97Å; L210-W234 HydrophobicContact CD1-CD2 4.29Å; L210-W234 HydrophobicContact CD1-CG 4.32Å; L210-W234 HydrophobicContact CD2-CB 4.2Å; L210-W234 HydrophobicContact CD2-CD2 3.85Å; L210-W234 HydrophobicContact CD2-CE3 3.99Å; L210-W234 HydrophobicContact CD2-CG 3.94Å; L210-W234 HydrophobicContact CG-CD2 4.32Å; L210-W234 WeakPolarHBondContact O-CH2 3.16Å; L210-W234 WeakPolarHBondContact O-CZ3 3.3Å
211S91.9Very high90.7Very high91 Ų9163 Ų6364%0.63633%0.325SS*.Hα-helixtrans-83.2-32.2179.858.20000114.5R207 H208R207-S211 PolarHBondContact O-N 3.44Å; R207-S211 PolarHBondContact O-OG 2.98Å; H208-S211 PolarHBondContact O-N 2.75Å; H208-S211 PolarHBondContact O-OG 2.92Å
212L91.2Very high90.3Very high99 Ų9966.6 Ų66.652%0.51834%0.341SS..Hα-helixtrans-74.7-44.6-179.7-177.4151.8000112.1H208 K214H208-L212 WeakPolarHBondContact NE2-CD1 3.42Å; H208-L212 WeakPolarHBondContact O-CB 3.46Å; H208-L212 PolarHBondContact O-N 2.82Å; L212-K214 PolarHBondContact O-N 2.81Å
213N91.3Very high89.4Confident39 Ų3968.6 Ų68.621%0.20936%0.356CS..  trans-83.4109.4-172.3-67-68.9000111.3S151 N209 S215 F216S151-N213 PolarHBondContact OG-ND2 3.1Å; N209-N213 WeakPolarHBondContact O-CB 3.36Å; N209-N213 PolarHBondContact O-N 3.26Å; N209-N213 VanDerWaalsContact O-N 3.16Å; N209-N213 PolarHBondContact O-ND2 3.39Å; N209-N213 PolarHBondContact OD1-ND2 2.68Å; N209-N213 VanDerWaalsContact OD1-ND2 3.07Å; N213-S215 PolarHBondContact O-N 3.35Å; N213-F216 HydrophobicContact CB-CD2 3.83Å; N213-F216 HydrophobicContact CB-CE2 3.88Å; N213-F216 PolarHBondContact O-N 2.92Å
214K91.5Very high88.4Confident166 Ų16671.4 Ų71.472%0.72238%0.38SS*.THydrogen-bonded Turntrans-58.88.2171.3-60.5-178.8-179.7179.90115.3L212 N237 K240L212-K214 PolarHBondContact O-N 2.81Å; K214-N237 PolarHBondContact O-ND2 2.95Å; K214-K240 WeakPolarHBondContact O-CD 3.44Å; K214-K240 PolarHBondContact O-NZ 3.13Å; K214-K240 VanDerWaalsContact O-NZ 3.15Å
215S91.9Very high87.2Confident14 Ų1473.6 Ų73.610%0.09839%0.387CS..THydrogen-bonded Turntrans-94-14.3172.9-54.80000112.7N213 N237 I244N213-S215 PolarHBondContact O-N 3.35Å; S215-N237 VanDerWaalsContact O-CB 3.24Å; S215-N237 WeakPolarHBondContact O-CB 3.07Å; S215-N237 PolarHBondContact O-N 3.48Å; S215-I244 VanDerWaalsContact CB-CD1 3.4Å
216F94.8Very high85.7Confident9 Ų978.3 Ų78.34%0.03942%0.417CS..EExtended strand (participates in β ladder)trans-103.9135.5170.5-51.6-58.3000109.2S151 I154 A155 L158 L210 N213 W234 S235 L236 I244S151-F216 WeakPolarHBondContact O-CZ 3.46Å; I154-F216 HydrophobicContact CB-CE1 4.08Å; I154-F216 HydrophobicContact CB-CE2 4.29Å; I154-F216 HydrophobicContact CB-CZ 3.76Å; I154-F216 HydrophobicContact CD1-CE2 4.18Å; I154-F216 HydrophobicContact CD1-CZ 4.49Å; I154-F216 HydrophobicContact CG2-CD1 3.82Å; I154-F216 HydrophobicContact CG2-CD2 4.36Å; I154-F216 HydrophobicContact CG2-CE1 3.45Å; I154-F216 VanDerWaalsContact CG2-CE1 3.45Å; I154-F216 HydrophobicContact CG2-CE2 4.03Å; I154-F216 HydrophobicContact CG2-CG 4.27Å; I154-F216 HydrophobicContact CG2-CZ 3.57Å; A155-F216 HydrophobicContact CB-CE1 4.3Å; L158-F216 HydrophobicContact CD1-CD1 3.72Å; L158-F216 HydrophobicContact CD1-CE1 4.02Å; L210-F216 HydrophobicContact CD2-CB 4.27Å; L210-F216 HydrophobicContact CD2-CD2 4.23Å; L210-F216 HydrophobicContact CD2-CG 4.15Å; N213-F216 HydrophobicContact CB-CD2 3.83Å; N213-F216 HydrophobicContact CB-CE2 3.88Å; N213-F216 PolarHBondContact O-N 2.92Å; F216-W234 HydrophobicContact CB-CE3 3.95Å; F216-W234 HydrophobicContact CB-CZ3 4.31Å; F216-S235 WeakPolarHBondContact CA-O 3.35Å; F216-L236 HydrophobicContact CD1-CD1 3.97Å; F216-L236 HydrophobicContact CE1-CD1 3.76Å; F216-I244 HydrophobicContact CE1-CD1 4.22Å; F216-I244 HydrophobicContact CZ-CD1 4.26Å
217L93.6Very high84.1Confident74 Ų7489.3 Ų89.339%0.38746%0.459SS..EExtended strand (participates in β ladder)trans-109.3130.2178.6-62.1175.7000109.1I219 W234 S235 N237L217-I219 PolarHBondContact O-N 3.38Å; L217-W234 WeakPolarHBondContact O-CA 3.12Å; L217-S235 PolarHBondContact N-O 2.97Å; L217-S235 PolarHBondContact O-N 3.2Å; L217-N237 HydrophobicContact CD1-CB 3.99Å; L217-N237 HydrophobicContact CD2-CB 4.28Å; L217-N237 HydrophobicContact CG-CB 3.88Å
218K94.2Very high82.6Confident112 Ų11286.4 Ų86.449%0.48745%0.454SS..EExtended strand (participates in β ladder)trans-83.7106.2170.8-174.4-161.3176.1-150.70108.4E220 C232 W234K218-E220 IonicContact NZ-OE1 3.71Å; K218-E220 PolarHBondContact NZ-OE1 3.2Å; K218-C232 HydrophobicContact CD-CB 4.35Å; K218-C232 HydrophobicContact CG-CB 3.74Å; K218-W234 HydrophobicContact CB-CE3 4.24Å; K218-W234 HydrophobicContact CB-CH2 3.98Å; K218-W234 HydrophobicContact CB-CZ2 4.32Å; K218-W234 HydrophobicContact CB-CZ3 3.92Å; K218-W234 HydrophobicContact CG-CH2 4.43Å; K218-W234 HydrophobicContact CG-CZ2 4.31Å
219I90.8Very high81.1Confident60 Ų6093 Ų9331%0.30848%0.475SS..EExtended strand (participates in β ladder)trans-86.4123.1170.3-57.9176.7000108L217 C232 L233L217-I219 PolarHBondContact O-N 3.38Å; I219-C232 WeakPolarHBondContact O-CA 3.28Å; I219-L233 HydrophobicContact CB-CB 4.32Å; I219-L233 PolarHBondContact N-O 2.94Å; I219-L233 PolarHBondContact O-N 3.34Å
220E88.5Confident79.6Confident121 Ų121100.6 Ų100.657%0.56551%0.507SS*.EExtended strand (participates in β ladder)trans-83.8126.8171.9-51.6-150.5142.900109.2K218 P222K218-E220 IonicContact NZ-OE1 3.71Å; K218-E220 PolarHBondContact NZ-OE1 3.2Å; E220-P222 WeakPolarHBondContact O-CD 3.42Å
221V82.1Confident78.6Confident47 Ų47103 Ų10329%0.28552%0.523SS..PPolyproline II helixtrans-84.5121.3177.9-178.40000108.4T223 C231 L233V221-T223 PolarHBondContact O-N 3.01Å; V221-T223 PolarHBondContact O-OG1 3.28Å; V221-T223 VanDerWaalsContact O-OG1 3.09Å; V221-C231 WeakPolarHBondContact CB-O 3.47Å; V221-C231 WeakPolarHBondContact CG2-O 3.5Å; V221-C231 PolarHBondContact N-O 3.25Å; V221-L233 HydrophobicContact CG2-CD1 3.69Å; V221-L233 HydrophobicContact CG2-CG 3.72Å
222P73Confident78.5Confident117 Ų117100.2 Ų100.276%0.7650%0.504SS*.  trans-55.6113171.7-23.534.4000109E220E220-P222 WeakPolarHBondContact O-CD 3.42Å
223T66Low78.6Confident58 Ų5896.7 Ų96.736%0.35649%0.485SS..  trans-96.2103.4-176.2-55.70000107.8V221 Q225V221-T223 PolarHBondContact O-N 3.01Å; V221-T223 PolarHBondContact O-OG1 3.28Å; V221-T223 VanDerWaalsContact O-OG1 3.09Å; T223-Q225 HydrophobicContact CG2-CB 4.45Å; T223-Q225 WeakPolarHBondContact CG2-O 3.46Å; T223-Q225 PolarHBondContact O-N 3.01Å; T223-Q225 VanDerWaalsContact O-N 3.1Å
224T67.8Low78.8Confident146 Ų14696.3 Ų96.390%0.89648%0.481SS*.SBendtrans-63.3-14.9-178.5-23.30000113.3
225Q64.9Low78.9Confident140 Ų14089.2 Ų89.265%0.65445%0.452SS*.SBendtrans-96.4123176.4-64.3-178.1500110.8T223 R227 G228T223-Q225 HydrophobicContact CG2-CB 4.45Å; T223-Q225 WeakPolarHBondContact CG2-O 3.46Å; T223-Q225 PolarHBondContact O-N 3.01Å; T223-Q225 VanDerWaalsContact O-N 3.1Å; Q225-R227 PolarHBondContact O-N 3.27Å; Q225-G228 PolarHBondContact O-N 3.12Å
226P60.8Low79Confident139 Ų13989.7 Ų89.790%0.90345%0.453SS*.THydrogen-bonded Turntrans-66.4-9.6-176.925.8-34.6000114.7
227R58.3Low78.9Confident231 Ų23190.5 Ų90.587%0.87246%0.458SS*.THydrogen-bonded Turntrans-119.88.4173.2-54.1-169.3-164.5-139.27.3113.8Q225Q225-R227 PolarHBondContact O-N 3.27Å
228G61Low78.9Confident22 Ų2293.7 Ų93.723%0.22748%0.476CS..SBendtrans-67.6137.5178.200000111.3Q225 K230Q225-G228 PolarHBondContact O-N 3.12Å; G228-K230 PolarHBondContact O-N 3.29Å
229R61.8Low78.8Confident237 Ų23797.6 Ų97.689%0.89449%0.493SS*.  trans-57.7124.8173-75.5-173.4-72.7177.7-7109.3C231R229-C231 VanDerWaalsContact C-N 3.33Å; R229-C231 PolarHBondContact O-N 3.47Å
230K64.4Low78.7Confident188 Ų18897.9 Ų97.982%0.81749%0.492SS*.  trans-58.391.9173.7-67.6-173.2179.7-173.60110.2G228G228-K230 PolarHBondContact O-N 3.29Å
231C72Confident78.9Confident52 Ų5293.6 Ų93.635%0.35147%0.473SS..  trans-79.713017069.70000108.7V221 R229V221-C231 WeakPolarHBondContact CB-O 3.47Å; V221-C231 WeakPolarHBondContact CG2-O 3.5Å; V221-C231 PolarHBondContact N-O 3.25Å; R229-C231 VanDerWaalsContact C-N 3.33Å; R229-C231 PolarHBondContact O-N 3.47Å
232C88.6Confident79.4Confident34 Ų3495 Ų9523%0.2349%0.485CS..EExtended strand (participates in β ladder)trans-104.9142.8168.954.40000109.2K218 I219K218-C232 HydrophobicContact CD-CB 4.35Å; K218-C232 HydrophobicContact CG-CB 3.74Å; I219-C232 WeakPolarHBondContact O-CA 3.28Å
233L92.9Very high80.3Confident25 Ų2596.7 Ų96.713%0.13148%0.481CS..EExtended strand (participates in β ladder)trans-99.8144.2167.6-64.4170.6000107.4R165 R167 I219 V221R165-L233 HydrophobicContact CB-CB 4.33Å; R165-L233 HydrophobicContact CG-CD1 4.14Å; R167-L233 HydrophobicContact CG-CD2 3.58Å; I219-L233 HydrophobicContact CB-CB 4.32Å; I219-L233 PolarHBondContact N-O 2.94Å; I219-L233 PolarHBondContact O-N 3.34Å; V221-L233 HydrophobicContact CG2-CD1 3.69Å; V221-L233 HydrophobicContact CG2-CG 3.72Å
234W95.1Very high81.5Confident30 Ų3094.1 Ų94.111%0.11447%0.465CS..EExtended strand (participates in β ladder)trans-102.6133.6170.7-67.888.1000108.1L158 R165 L166 I171 L210 F216 L217 K218L158-W234 WeakPolarHBondContact CD2-O 3.45Å; R165-W234 CarbonylContact C-O 3.57Å; R165-W234 WeakPolarHBondContact CA-O 3.44Å; R165-W234 WeakPolarHBondContact CB-O 3.34Å; L166-W234 PolarHBondContact N-O 3.16Å; L166-W234 PolarHBondContact O-N 3.04Å; I171-W234 HydrophobicContact CD1-CB 4.31Å; L210-W234 HydrophobicContact CB-CD2 4.13Å; L210-W234 HydrophobicContact CB-CE3 4.09Å; L210-W234 HydrophobicContact CB-CH2 3.88Å; L210-W234 HydrophobicContact CB-CZ2 3.94Å; L210-W234 HydrophobicContact CB-CZ3 3.97Å; L210-W234 HydrophobicContact CD1-CD2 4.29Å; L210-W234 HydrophobicContact CD1-CG 4.32Å; L210-W234 HydrophobicContact CD2-CB 4.2Å; L210-W234 HydrophobicContact CD2-CD2 3.85Å; L210-W234 HydrophobicContact CD2-CE3 3.99Å; L210-W234 HydrophobicContact CD2-CG 3.94Å; L210-W234 HydrophobicContact CG-CD2 4.32Å; L210-W234 WeakPolarHBondContact O-CH2 3.16Å; L210-W234 WeakPolarHBondContact O-CZ3 3.3Å; F216-W234 HydrophobicContact CB-CE3 3.95Å; F216-W234 HydrophobicContact CB-CZ3 4.31Å; L217-W234 WeakPolarHBondContact O-CA 3.12Å; K218-W234 HydrophobicContact CB-CE3 4.24Å; K218-W234 HydrophobicContact CB-CH2 3.98Å; K218-W234 HydrophobicContact CB-CZ2 4.32Å; K218-W234 HydrophobicContact CB-CZ3 3.92Å; K218-W234 HydrophobicContact CG-CH2 4.43Å; K218-W234 HydrophobicContact CG-CZ2 4.31Å
235S94.3Very high82.6Confident17 Ų1790.8 Ų90.812%0.11944%0.439CS..EExtended strand (participates in β ladder)trans-123.4165.8171.174.70000110.5F216 L217F216-S235 WeakPolarHBondContact CA-O 3.35Å; L217-S235 PolarHBondContact N-O 2.97Å; L217-S235 PolarHBondContact O-N 3.2Å
236L94.3Very high84Confident24 Ų2489.1 Ų89.113%0.12643%0.434CS..EExtended strand (participates in β ladder)trans-76.5150.6169.4-156.258.3000109.5A155 L158 F216 V241 I244A155-L236 HydrophobicContact CB-CD1 4.17Å; L158-L236 HydrophobicContact CD1-CB 4.44Å; L158-L236 HydrophobicContact CD1-CD1 4.45Å; F216-L236 HydrophobicContact CD1-CD1 3.97Å; F216-L236 HydrophobicContact CE1-CD1 3.76Å; L236-V241 HydrophobicContact CD2-CB 4.29Å; L236-V241 HydrophobicContact CD2-CG1 4.04Å; L236-V241 HydrophobicContact CD2-CG2 3.78Å; L236-V241 HydrophobicContact CG-CG2 3.95Å; L236-I244 HydrophobicContact CD1-CD1 3.77Å
237N93.5Very high85.4Confident27 Ų2785.2 Ų85.214%0.14440%0.404CS..  trans-93111.5174.8-174.9-22.1000109.3K214 S215 L217 K239 K240 V241K214-N237 PolarHBondContact O-ND2 2.95Å; S215-N237 VanDerWaalsContact O-CB 3.24Å; S215-N237 WeakPolarHBondContact O-CB 3.07Å; S215-N237 PolarHBondContact O-N 3.48Å; L217-N237 HydrophobicContact CD1-CB 3.99Å; L217-N237 HydrophobicContact CD2-CB 4.28Å; L217-N237 HydrophobicContact CG-CB 3.88Å; N237-K239 PolarHBondContact O-N 3.38Å; N237-K239 PolarHBondContact OD1-N 3.15Å; N237-K240 HydrophobicContact CB-CB 4.47Å; N237-K240 CarbonylContact O-C 3.5Å; N237-K240 WeakPolarHBondContact O-CA 3.41Å; N237-K240 PolarHBondContact O-N 2.91Å; N237-V241 PolarHBondContact O-N 3.13Å
238D92.1Very high87Confident140 Ų14074.7 Ų74.775%0.74937%0.365SS*.G310 helixtrans-46.1-41-178-54.5-26.5000113.1K240D238-K240 PolarHBondContact O-N 2.9Å
239K91.8Very high88.5Confident195 Ų19577.4 Ų77.485%0.84837%0.371SS*.G310 helixtrans-67.7-6.6-179.8-59-174.7179.6-176.40114.4N237N237-K239 PolarHBondContact O-N 3.38Å; N237-K239 PolarHBondContact OD1-N 3.15Å
240K90.3Very high89.9Confident66 Ų6673.2 Ų73.229%0.28736%0.356SS..G310 helixtrans-134.61.5-173.9-64-173.9-176.41720114.3K214 N237 D238 S242 K243 I244K214-K240 WeakPolarHBondContact O-CD 3.44Å; K214-K240 PolarHBondContact O-NZ 3.13Å; K214-K240 VanDerWaalsContact O-NZ 3.15Å; N237-K240 HydrophobicContact CB-CB 4.47Å; N237-K240 CarbonylContact O-C 3.5Å; N237-K240 WeakPolarHBondContact O-CA 3.41Å; N237-K240 PolarHBondContact O-N 2.91Å; D238-K240 PolarHBondContact O-N 2.9Å; K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 2.81Å; K240-K243 PolarHBondContact O-N 3.31Å; K240-K243 VanDerWaalsContact O-N 3.13Å; K240-I244 PolarHBondContact O-N 3.35Å
241V91.4Very high91Very high30 Ų3065.4 Ų65.418%0.18232%0.324CS..Hα-helixtrans-51.1-54.5174.5-179.50000109.6L236 N237 K243 I244 E245L236-V241 HydrophobicContact CD2-CB 4.29Å; L236-V241 HydrophobicContact CD2-CG1 4.04Å; L236-V241 HydrophobicContact CD2-CG2 3.78Å; L236-V241 HydrophobicContact CG-CG2 3.95Å; N237-V241 PolarHBondContact O-N 3.13Å; V241-K243 PolarHBondContact O-N 3.48Å; V241-K243 VanDerWaalsContact O-N 3.12Å; V241-I244 PolarHBondContact O-N 3.41Å; V241-E245 HydrophobicContact CG1-CG 4.09Å; V241-E245 WeakPolarHBondContact O-CG 3.39Å; V241-E245 PolarHBondContact O-N 3.35Å
242S92.3Very high91.8Very high76 Ų7666.6 Ų66.653%0.53132%0.321SS..Hα-helixtrans-57.4-32.2-178.9-400000113.6K240 L246K240-S242 VanDerWaalsContact C-N 3.32Å; K240-S242 PolarHBondContact O-N 2.81Å; S242-L246 WeakPolarHBondContact O-CB 3.4Å; S242-L246 WeakPolarHBondContact O-CG 3.44Å; S242-L246 PolarHBondContact O-N 2.69Å
243K91.9Very high91.8Very high153 Ų15371.6 Ų71.667%0.66534%0.341SS*.Hα-helixtrans-66.8-42.1175.8-179.6177.6176.4-179.70111.3K240 V241 E247K240-K243 PolarHBondContact O-N 3.31Å; K240-K243 VanDerWaalsContact O-N 3.13Å; V241-K243 PolarHBondContact O-N 3.48Å; V241-K243 VanDerWaalsContact O-N 3.12Å; K243-E247 PolarHBondContact O-N 2.92Å
244I91.8Very high91.6Very high5 Ų577.8 Ų77.83%0.02637%0.367CS..Hα-helixtrans-75.4-35.7179.4-64167000110.7A155 S215 F216 L236 K240 V241 L246 E247 I248A155-I244 HydrophobicContact CB-CB 4.46Å; A155-I244 HydrophobicContact CB-CD1 4.33Å; A155-I244 HydrophobicContact CB-CG2 3.46Å; A155-I244 VanDerWaalsContact CB-CG2 3.46Å; S215-I244 VanDerWaalsContact CB-CD1 3.4Å; F216-I244 HydrophobicContact CE1-CD1 4.22Å; F216-I244 HydrophobicContact CZ-CD1 4.26Å; L236-I244 HydrophobicContact CD1-CD1 3.77Å; K240-I244 PolarHBondContact O-N 3.35Å; V241-I244 PolarHBondContact O-N 3.41Å; I244-L246 VanDerWaalsContact C-N 3.32Å; I244-L246 PolarHBondContact O-N 2.84Å; I244-E247 CarbonylContact O-C 3.59Å; I244-E247 WeakPolarHBondContact O-CA 3.49Å; I244-E247 VanDerWaalsContact O-CB 3.3Å; I244-E247 WeakPolarHBondContact O-CB 3.24Å; I244-E247 PolarHBondContact O-N 3.48Å; I244-I248 HydrophobicContact CG2-CD1 3.93Å; I244-I248 HydrophobicContact CG2-CG1 4.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.45Å; I244-I248 PolarHBondContact O-N 3.21Å
245E92.1Very high91.1Very high75 Ų7579 Ų7935%0.3538%0.375SS..Hα-helixtrans-63.2-39.5175-67.6-177140.600111.8K159 V241 E247 I248 Q249K159-E245 IonicContact NZ-OE1 2.81Å; K159-E245 PolarHBondContact NZ-OE1 3.01Å; V241-E245 HydrophobicContact CG1-CG 4.09Å; V241-E245 WeakPolarHBondContact O-CG 3.39Å; V241-E245 PolarHBondContact O-N 3.35Å; E245-E247 VanDerWaalsContact C-N 3.25Å; E245-E247 PolarHBondContact O-N 3.01Å; E245-I248 PolarHBondContact O-N 2.78Å; E245-Q249 WeakPolarHBondContact O-CB 3.3Å; E245-Q249 PolarHBondContact O-N 3.02Å
246L92.7Very high90.6Very high106 Ų10679.7 Ų79.756%0.55538%0.381SS*.Hα-helixtrans-67.2-20.9169.2-70.2170.8000113.6S242 I244 R250S242-L246 WeakPolarHBondContact O-CB 3.4Å; S242-L246 WeakPolarHBondContact O-CG 3.44Å; S242-L246 PolarHBondContact O-N 2.69Å; I244-L246 VanDerWaalsContact C-N 3.32Å; I244-L246 PolarHBondContact O-N 2.84Å; L246-R250 WeakPolarHBondContact O-CB 3.31Å; L246-R250 PolarHBondContact O-N 3.01Å; L246-R250 PolarHBondContact O-NH1 2.72Å
247E91.6Very high90.1Very high56 Ų5684.1 Ų84.126%0.26240%0.4SS..Hα-helixtrans-76.8-48.4171.3-164.7-177.3143.800110.3S149 C152 K243 I244 E245 R250 V251S149-E247 VanDerWaalsContact CB-OE1 3.3Å; S149-E247 WeakPolarHBondContact CB-OE1 3.44Å; S149-E247 PolarHBondContact OG-OE1 2.85Å; C152-E247 PolarHBondContact SG-OE1 3.42Å; K243-E247 PolarHBondContact O-N 2.92Å; I244-E247 CarbonylContact O-C 3.59Å; I244-E247 WeakPolarHBondContact O-CA 3.49Å; I244-E247 VanDerWaalsContact O-CB 3.3Å; I244-E247 WeakPolarHBondContact O-CB 3.24Å; I244-E247 PolarHBondContact O-N 3.48Å; E245-E247 VanDerWaalsContact C-N 3.25Å; E245-E247 PolarHBondContact O-N 3.01Å; E247-R250 PolarHBondContact O-N 2.81Å; E247-V251 WeakPolarHBondContact O-CG2 3.1Å; E247-V251 PolarHBondContact O-N 3Å
248I91.5Very high89.6Confident10 Ų1085 Ų855%0.05141%0.412CS..Hα-helixtrans-56.2-52.3175.6-67164.7000110.3Y148 C152 L156 I244 E245 R250 V251 R252 E273Y148-I248 HydrophobicContact CE1-CG2 4.06Å; C152-I248 HydrophobicContact CB-CG1 3.91Å; L156-I248 HydrophobicContact CD2-CD1 3.9Å; L156-I248 HydrophobicContact CD2-CG2 4.47Å; L156-I248 HydrophobicContact CG-CD1 3.98Å; I244-I248 HydrophobicContact CG2-CD1 3.93Å; I244-I248 HydrophobicContact CG2-CG1 4.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.45Å; I244-I248 PolarHBondContact O-N 3.21Å; E245-I248 PolarHBondContact O-N 2.78Å; I248-R250 PolarHBondContact O-N 3.17Å; I248-V251 PolarHBondContact O-N 2.89Å; I248-V251 VanDerWaalsContact O-N 3.15Å; I248-R252 PolarHBondContact O-N 2.9Å; I248-E273 HydrophobicContact CG2-CG 4.2Å; I248-E273 WeakPolarHBondContact CG2-OE1 3.21Å
249Q91.8Very high89.2Confident79 Ų7978.3 Ų78.337%0.36938%0.376SS..Hα-helixtrans-60.2-41.4-180-178.561.621.100112.5E245 V251 R252 E253E245-Q249 WeakPolarHBondContact O-CB 3.3Å; E245-Q249 PolarHBondContact O-N 3.02Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; Q249-V251 PolarHBondContact O-N 3.12Å; Q249-R252 WeakPolarHBondContact O-CB 3.26Å; Q249-R252 PolarHBondContact O-N 2.91Å; Q249-E253 WeakPolarHBondContact CG-OE1 3.49Å; Q249-E253 PolarHBondContact NE2-OE1 2.71Å; Q249-E253 WeakPolarHBondContact O-CG 3.48Å; Q249-E253 PolarHBondContact O-N 3.05Å
250R91.4Very high88.9Confident149 Ų14972.1 Ų72.156%0.56235%0.349SS*.Hα-helixtrans-64.9-36.5176.9-174.7-173.3-63.887.38.2112.4L246 E247 I248 K254L246-R250 WeakPolarHBondContact O-CB 3.31Å; L246-R250 PolarHBondContact O-N 3.01Å; L246-R250 PolarHBondContact O-NH1 2.72Å; E247-R250 PolarHBondContact O-N 2.81Å; I248-R250 PolarHBondContact O-N 3.17Å; R250-K254 WeakPolarHBondContact O-CB 3.26Å; R250-K254 PolarHBondContact O-N 2.99Å
251V88.7Confident88.4Confident25 Ų2573.2 Ų73.215%0.15236%0.358CS..Hα-helixtrans-69.4-39.9174.9-178.60000110.1P147 Y148 E247 I248 Q249 K254 D255 I259P147-V251 HydrophobicContact CB-CG1 4.1Å; P147-V251 HydrophobicContact CG-CG1 4.47Å; Y148-V251 HydrophobicContact CD1-CB 4.18Å; Y148-V251 HydrophobicContact CD1-CG1 3.93Å; Y148-V251 HydrophobicContact CE1-CB 4.29Å; Y148-V251 HydrophobicContact CE1-CG1 4.23Å; E247-V251 WeakPolarHBondContact O-CG2 3.1Å; E247-V251 PolarHBondContact O-N 3Å; I248-V251 PolarHBondContact O-N 2.89Å; I248-V251 VanDerWaalsContact O-N 3.15Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; Q249-V251 PolarHBondContact O-N 3.12Å; V251-K254 PolarHBondContact O-N 2.91Å; V251-D255 PolarHBondContact O-N 3.34Å; V251-I259 HydrophobicContact CG1-CD1 4.17Å; V251-I259 HydrophobicContact CG1-CG1 4.45Å
252R87.6Confident87.8Confident76 Ų7672.1 Ų72.129%0.28735%0.352SS..Hα-helixtrans-60.1-45.6175.1-168.4-171.3-168.4-841.7112.9I248 Q249 K254 S256 I259 D270 E273I248-R252 PolarHBondContact O-N 2.9Å; Q249-R252 WeakPolarHBondContact O-CB 3.26Å; Q249-R252 PolarHBondContact O-N 2.91Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.38Å; R252-S256 WeakPolarHBondContact O-CB 3.07Å; R252-S256 PolarHBondContact O-N 2.81Å; R252-I259 HydrophobicContact CB-CD1 4.27Å; R252-D270 IonicContact CZ-OD1 2.73Å; R252-D270 IonicContact NH2-OD1 3.97Å; R252-D270 PolarHBondContact NH2-OD1 2.85Å; R252-E273 WeakPolarHBondContact CD-OE2 3.35Å; R252-E273 IonicContact CZ-OE2 2.68Å; R252-E273 IonicContact NE-OE2 3.93Å; R252-E273 PolarHBondContact NE-OE2 3.3Å
253E88.5Confident87.4Confident140 Ų14068.6 Ų68.665%0.65433%0.327SS*.Hα-helixtrans-66.4-32.8177.7-74.3166.7-174.900113Q249Q249-E253 WeakPolarHBondContact CG-OE1 3.49Å; Q249-E253 PolarHBondContact NE2-OE1 2.71Å; Q249-E253 WeakPolarHBondContact O-CG 3.48Å; Q249-E253 PolarHBondContact O-N 3.05Å
254K88.1Confident86.8Confident155 Ų15562.4 Ų62.467%0.67430%0.304SS*.Hα-helixtrans-83.5-47-177.6-172.2178.2165.2-89.30113.4R250 V251 R252R250-K254 WeakPolarHBondContact O-CB 3.26Å; R250-K254 PolarHBondContact O-N 2.99Å; V251-K254 PolarHBondContact O-N 2.91Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.38Å
255D85.1Confident86.2Confident54 Ų5466.3 Ų66.329%0.28933%0.325SS..Hα-helixtrans-133.237.3-162.7-61.1-56.9000112.4P147 V251 E257 A258 I259P147-D255 HydrophobicContact CB-CB 4.11Å; P147-D255 HydrophobicContact CG-CB 4.41Å; V251-D255 PolarHBondContact O-N 3.34Å; D255-E257 PolarHBondContact O-N 3.04Å; D255-A258 HydrophobicContact CB-CB 4.37Å; D255-A258 PolarHBondContact O-N 3.28Å; D255-A258 VanDerWaalsContact O-N 3.13Å; D255-I259 PolarHBondContact O-N 2.82Å
256S84.9Confident85.7Confident33 Ų3365.9 Ų65.923%0.23133%0.329CS..Hα-helixtrans-49.3-45.7-175.3-170.20000115.1R252 I259 K260R252-S256 WeakPolarHBondContact O-CB 3.07Å; R252-S256 PolarHBondContact O-N 2.81Å; S256-I259 WeakPolarHBondContact O-CB 3.37Å; S256-I259 PolarHBondContact O-N 3.33Å; S256-K260 WeakPolarHBondContact O-CG 3.17Å; S256-K260 PolarHBondContact O-N 3.33Å; S256-K260 VanDerWaalsContact O-N 3.15Å
257E82.4Confident85.2Confident116 Ų11663.9 Ų63.954%0.54233%0.334SS..Hα-helixtrans-70.1-40.3-179.5-60.8-49.7125.900111.8D255 I259 K260 D261D255-E257 PolarHBondContact O-N 3.04Å; E257-I259 PolarHBondContact O-N 3.04Å; E257-K260 WeakPolarHBondContact O-CB 3.35Å; E257-K260 PolarHBondContact O-N 2.74Å; E257-K260 VanDerWaalsContact O-N 3.1Å; E257-K260 IonicContact OE1-NZ 3.04Å; E257-K260 PolarHBondContact OE1-NZ 3.01Å; E257-K260 WeakPolarHBondContact OE2-CD 3.32Å; E257-K260 IonicContact OE2-NZ 3.93Å; E257-K260 PolarHBondContact OE2-NZ 3.37Å; E257-D261 PolarHBondContact O-N 3Å
258A83.5Confident84.9Confident46 Ų4662 Ų6238%0.3833%0.326SS..Hα-helixtrans-64.5-28.4175.800000112.6P147 D255 S262P147-A258 HydrophobicContact CG-CB 4.09Å; D255-A258 HydrophobicContact CB-CB 4.37Å; D255-A258 PolarHBondContact O-N 3.28Å; D255-A258 VanDerWaalsContact O-N 3.13Å; A258-S262 WeakPolarHBondContact O-CB 2.98Å; A258-S262 PolarHBondContact O-N 2.77Å; A258-S262 VanDerWaalsContact O-N 3.16Å; A258-S262 PolarHBondContact O-OG 3.24Å
259I84.5Confident84.6Confident0 Ų061.9 Ų61.90%033%0.325CS..Hα-helixtrans-65-53.2169.3-65.9164000110.3P147 Y148 V251 R252 D255 S256 E257 D261 S262 L263 L269P147-I259 HydrophobicContact CG-CB 4.34Å; P147-I259 HydrophobicContact CG-CG1 3.51Å; Y148-I259 HydrophobicContact CD2-CG2 4.39Å; Y148-I259 HydrophobicContact CE1-CD1 4.15Å; Y148-I259 HydrophobicContact CE2-CB 4.39Å; Y148-I259 HydrophobicContact CE2-CD1 4.32Å; Y148-I259 HydrophobicContact CE2-CG1 4.06Å; Y148-I259 HydrophobicContact CE2-CG2 3.47Å; Y148-I259 VanDerWaalsContact CE2-CG2 3.47Å; V251-I259 HydrophobicContact CG1-CD1 4.17Å; V251-I259 HydrophobicContact CG1-CG1 4.45Å; R252-I259 HydrophobicContact CB-CD1 4.27Å; D255-I259 PolarHBondContact O-N 2.82Å; S256-I259 WeakPolarHBondContact O-CB 3.37Å; S256-I259 PolarHBondContact O-N 3.33Å; E257-I259 PolarHBondContact O-N 3.04Å; I259-D261 PolarHBondContact O-N 2.81Å; I259-S262 WeakPolarHBondContact O-CB 3.33Å; I259-S262 PolarHBondContact O-N 3.16Å; I259-L263 HydrophobicContact CG2-CD1 4.27Å; I259-L263 PolarHBondContact O-N 2.99Å; I259-L263 VanDerWaalsContact O-N 3.16Å; I259-L269 HydrophobicContact CG2-CD1 3.56Å; I259-L269 HydrophobicContact CG2-CD2 4Å; I259-L269 HydrophobicContact CG2-CG 4.42Å
260K84.4Confident84.5Confident65 Ų6561.7 Ų61.728%0.28333%0.327SS..Hα-helixtrans-57.9-38.3179.2-67.5170.5-170.3169.50111.6R182 S256 E257 S262 L263 P266 L269R182-K260 PolarHBondContact NH1-O 2.93Å; S256-K260 WeakPolarHBondContact O-CG 3.17Å; S256-K260 PolarHBondContact O-N 3.33Å; S256-K260 VanDerWaalsContact O-N 3.15Å; E257-K260 WeakPolarHBondContact O-CB 3.35Å; E257-K260 PolarHBondContact O-N 2.74Å; E257-K260 VanDerWaalsContact O-N 3.1Å; E257-K260 IonicContact OE1-NZ 3.04Å; E257-K260 PolarHBondContact OE1-NZ 3.01Å; E257-K260 WeakPolarHBondContact OE2-CD 3.32Å; E257-K260 IonicContact OE2-NZ 3.93Å; E257-K260 PolarHBondContact OE2-NZ 3.37Å; K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 3.44Å; K260-L263 PolarHBondContact O-N 3Å; K260-P266 HydrophobicContact CB-CB 3.87Å; K260-P266 HydrophobicContact CG-CB 4.39Å; K260-L269 HydrophobicContact CG-CD2 3.95Å
261D79.5Confident84.4Confident89 Ų8958 Ų5848%0.47632%0.318SS..Hα-helixtrans-68.5-27176.3-81.3-33.1000114.2R182 E257 I259R182-D261 VanDerWaalsContact CD-O 3.3Å; R182-D261 WeakPolarHBondContact CD-O 3.01Å; R182-D261 VanDerWaalsContact CZ-O 3.26Å; R182-D261 IonicContact CZ-OD1 3.99Å; R182-D261 PolarHBondContact NE-O 2.91Å; R182-D261 PolarHBondContact NH1-O 3.01Å; R182-D261 IonicContact NH1-OD1 3.39Å; R182-D261 PolarHBondContact NH1-OD1 2.91Å; R182-D261 IonicContact NH2-OD1 2.69Å; R182-D261 PolarHBondContact NH2-OD1 3.09Å; E257-D261 PolarHBondContact O-N 3Å; I259-D261 PolarHBondContact O-N 2.81Å
262S80.2Confident84.4Confident7 Ų756.8 Ų56.85%0.04931%0.311CS..Hα-helixtrans-81.9-17.4174.7-56.60000113.3P146 F179 A258 I259 K260P146-S262 WeakPolarHBondContact CA-OG 3.3Å; F179-S262 CarbonylContact C-O 3.46Å; A258-S262 WeakPolarHBondContact O-CB 2.98Å; A258-S262 PolarHBondContact O-N 2.77Å; A258-S262 VanDerWaalsContact O-N 3.16Å; A258-S262 PolarHBondContact O-OG 3.24Å; I259-S262 WeakPolarHBondContact O-CB 3.33Å; I259-S262 PolarHBondContact O-N 3.16Å; K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 3.44Å
263L82.7Confident84.5Confident1 Ų154.2 Ų54.21%0.00530%0.302CS..SBendtrans-82.1142.1-176.8-77.2173.9000112.8F178 F179 R182 I259 K260 N265 L269 I272F178-L263 HydrophobicContact CB-CD2 4.47Å; F178-L263 CarbonylContact O-C 3.44Å; F178-L263 WeakPolarHBondContact O-CA 3.49Å; F178-L263 WeakPolarHBondContact O-CD2 3.33Å; F179-L263 HydrophobicContact CD1-CD2 3.71Å; F179-L263 HydrophobicContact CE1-CD2 3.55Å; F179-L263 HydrophobicContact CE1-CG 4.45Å; F179-L263 HydrophobicContact CZ-CD2 4.42Å; R182-L263 WeakPolarHBondContact CB-O 3.4Å; R182-L263 VanDerWaalsContact CD-O 3.24Å; R182-L263 WeakPolarHBondContact CD-O 3.42Å; I259-L263 HydrophobicContact CG2-CD1 4.27Å; I259-L263 PolarHBondContact O-N 2.99Å; I259-L263 VanDerWaalsContact O-N 3.16Å; K260-L263 PolarHBondContact O-N 3Å; L263-N265 VanDerWaalsContact C-N 3.26Å; L263-N265 PolarHBondContact O-N 3.09Å; L263-L269 HydrophobicContact CD1-CB 3.63Å; L263-L269 HydrophobicContact CD1-CD1 3.92Å; L263-L269 HydrophobicContact CD1-CG 4.27Å; L263-I272 HydrophobicContact CD2-CD1 3.87Å
264A79.5Confident84.4Confident23 Ų2353.3 Ų53.319%0.1930%0.298CS..SBendtrans-53.8-43.1171.600000112.4C177 F178 D181C177-A264 VanDerWaalsContact O-CB 3.26Å; C177-A264 WeakPolarHBondContact O-CB 3.46Å; F178-A264 PolarHBondContact O-N 3.5Å; D181-A264 HydrophobicContact CB-CB 4.16Å
265N80.3Confident84.4Confident88 Ų8846.8 Ų46.847%0.47127%0.274SS..SBendtrans-129117169.4-55.2-46.8000108.2L263 G267 D268L263-N265 VanDerWaalsContact C-N 3.26Å; L263-N265 PolarHBondContact O-N 3.09Å; N265-G267 PolarHBondContact O-N 2.89Å; N265-D268 HydrophobicContact CB-CB 4.24Å; N265-D268 WeakPolarHBondContact CB-OD2 3.24Å; N265-D268 PolarHBondContact ND2-OD2 3.44Å; N265-D268 PolarHBondContact O-N 3.06Å; N265-D268 VanDerWaalsContact O-N 3.14Å
266P80.9Confident84.6Confident65 Ų6550 Ų5042%0.42229%0.291SS..G310 helixtrans-64.5-28.3-178.123.9-33.6000113.2K260 D268 L269K260-P266 HydrophobicContact CB-CB 3.87Å; K260-P266 HydrophobicContact CG-CB 4.39Å; P266-D268 VanDerWaalsContact C-N 3.25Å; P266-D268 PolarHBondContact O-N 3.31Å; P266-L269 PolarHBondContact O-N 3.06Å
267G82.7Confident84.7Confident65 Ų6552.1 Ų52.167%0.6730%0.296SS*.G310 helixtrans-73.2-9.1176.600000115.2N265 L269N265-G267 PolarHBondContact O-N 2.89Å; G267-L269 VanDerWaalsContact C-N 3.34Å
268D84.7Confident85Confident17 Ų1747.6 Ų47.69%0.09128%0.281CS..G310 helixtrans-85.6-5176.4-76.3-32.8000113N265 P266 D270 L271 I272 K277N265-D268 HydrophobicContact CB-CB 4.24Å; N265-D268 WeakPolarHBondContact CB-OD2 3.24Å; N265-D268 PolarHBondContact ND2-OD2 3.44Å; N265-D268 PolarHBondContact O-N 3.06Å; N265-D268 VanDerWaalsContact O-N 3.14Å; P266-D268 VanDerWaalsContact C-N 3.25Å; P266-D268 PolarHBondContact O-N 3.31Å; D268-D270 PolarHBondContact O-N 2.88Å; D268-L271 PolarHBondContact O-N 3.41Å; D268-I272 HydrophobicContact CB-CD1 3.9Å; D268-I272 HydrophobicContact CB-CG1 4.42Å; D268-I272 VanDerWaalsContact O-CG1 3.28Å; D268-I272 WeakPolarHBondContact O-CG1 3.19Å; D268-I272 PolarHBondContact O-N 3.47Å; D268-K277 HydrophobicContact CB-CD 4.3Å; D268-K277 WeakPolarHBondContact OD1-CE 3.4Å; D268-K277 IonicContact OD1-NZ 2.83Å; D268-K277 PolarHBondContact OD1-NZ 2.82Å; D268-K277 WeakPolarHBondContact OD2-CE 3.25Å; D268-K277 IonicContact OD2-NZ 3.12Å; D268-K277 PolarHBondContact OD2-NZ 3.48Å
269L86.2Confident85.2Confident6 Ų648 Ų483%0.03128%0.276CS..Hα-helixtrans-53-57-173.9175.553.1000113Y148 I259 K260 L263 P266 G267 L271 I272 E273Y148-L269 WeakPolarHBondContact OH-CD1 3.33Å; I259-L269 HydrophobicContact CG2-CD1 3.56Å; I259-L269 HydrophobicContact CG2-CD2 4Å; I259-L269 HydrophobicContact CG2-CG 4.42Å; K260-L269 HydrophobicContact CG-CD2 3.95Å; L263-L269 HydrophobicContact CD1-CB 3.63Å; L263-L269 HydrophobicContact CD1-CD1 3.92Å; L263-L269 HydrophobicContact CD1-CG 4.27Å; P266-L269 PolarHBondContact O-N 3.06Å; G267-L269 VanDerWaalsContact C-N 3.34Å; L269-L271 VanDerWaalsContact C-N 3.28Å; L269-L271 PolarHBondContact O-N 3.26Å; L269-I272 PolarHBondContact O-N 2.84Å; L269-I272 VanDerWaalsContact O-N 3.1Å; L269-E273 HydrophobicContact CD1-CG 3.97Å; L269-E273 PolarHBondContact O-N 2.92Å
270D88.3Confident85.1Confident76 Ų7649.2 Ų49.241%0.40628%0.283SS..Hα-helixtrans-64.3-34.6-176.9-62.7-51.1000111.8R252 D268 Q274R252-D270 IonicContact CZ-OD1 2.73Å; R252-D270 IonicContact NH2-OD1 3.97Å; R252-D270 PolarHBondContact NH2-OD1 2.85Å; D268-D270 PolarHBondContact O-N 2.88Å; D270-Q274 VanDerWaalsContact O-CB 3.28Å; D270-Q274 WeakPolarHBondContact O-CB 3.38Å; D270-Q274 WeakPolarHBondContact O-CG 3.48Å; D270-Q274 PolarHBondContact O-N 2.92Å
271L88.7Confident84.5Confident70 Ų7057.9 Ų57.937%0.36631%0.314SS..Hα-helixtrans-66.7-37.4174.9-62.5175.7000111.9D268 L269 G275 L276 K277D268-L271 PolarHBondContact O-N 3.41Å; L269-L271 VanDerWaalsContact C-N 3.28Å; L269-L271 PolarHBondContact O-N 3.26Å; L271-G275 PolarHBondContact O-N 3.08Å; L271-L276 HydrophobicContact CD2-CB 4.3Å; L271-L276 PolarHBondContact O-N 2.9Å; L271-K277 HydrophobicContact CB-CB 4Å; L271-K277 HydrophobicContact CB-CD 4.46Å; L271-K277 HydrophobicContact CD1-CD 4.4Å; L271-K277 PolarHBondContact O-N 3.36Å; L271-K277 VanDerWaalsContact O-N 3.12Å
272I89.2Confident83.7Confident1 Ų157.3 Ų57.31%0.00531%0.313CS..Hα-helixtrans-70.4-44.4177.6-70.5163.1000110.6L156 N160 F174 F178 L263 D268 L269 Q274 G275 K277L156-I272 HydrophobicContact CB-CG2 4.31Å; L156-I272 HydrophobicContact CD1-CG2 4.39Å; L156-I272 HydrophobicContact CD2-CG2 4.28Å; N160-I272 PolarHBondContact ND2-O 3.39Å; F174-I272 HydrophobicContact CZ-CG2 4.12Å; F178-I272 HydrophobicContact CB-CD1 4.33Å; F178-I272 HydrophobicContact CD1-CD1 3.59Å; F178-I272 HydrophobicContact CD1-CG1 4.35Å; F178-I272 HydrophobicContact CE1-CD1 4.05Å; F178-I272 HydrophobicContact CE1-CG1 4.43Å; F178-I272 HydrophobicContact CG-CD1 4Å; L263-I272 HydrophobicContact CD2-CD1 3.87Å; D268-I272 HydrophobicContact CB-CD1 3.9Å; D268-I272 HydrophobicContact CB-CG1 4.42Å; D268-I272 VanDerWaalsContact O-CG1 3.28Å; D268-I272 WeakPolarHBondContact O-CG1 3.19Å; D268-I272 PolarHBondContact O-N 3.47Å; L269-I272 PolarHBondContact O-N 2.84Å; L269-I272 VanDerWaalsContact O-N 3.1Å; I272-Q274 PolarHBondContact O-N 3.19Å; I272-G275 PolarHBondContact O-N 3.17Å; I272-K277 HydrophobicContact CG1-CB 3.78Å; I272-K277 HydrophobicContact CG1-CG 3.91Å
273E89.3Confident82Confident21 Ų2161.3 Ų61.310%0.09834%0.341CS..Hα-helixtrans-67.4-34.9179.5-69.6-173.613800112.7Y148 L156 K159 I248 R252 L269 G275Y148-E273 PolarHBondContact OH-OE1 3.19Å; L156-E273 HydrophobicContact CD2-CG 4.23Å; K159-E273 WeakPolarHBondContact CE-O 3.4Å; K159-E273 PolarHBondContact NZ-O 3.06Å; K159-E273 VanDerWaalsContact NZ-O 3.07Å; I248-E273 HydrophobicContact CG2-CG 4.2Å; I248-E273 WeakPolarHBondContact CG2-OE1 3.21Å; R252-E273 WeakPolarHBondContact CD-OE2 3.35Å; R252-E273 IonicContact CZ-OE2 2.68Å; R252-E273 IonicContact NE-OE2 3.93Å; R252-E273 PolarHBondContact NE-OE2 3.3Å; L269-E273 HydrophobicContact CD1-CG 3.97Å; L269-E273 PolarHBondContact O-N 2.92Å; E273-G275 VanDerWaalsContact C-N 3.31Å
274Q88.3Confident80.2Confident122 Ų12269.1 Ų69.157%0.5738%0.375SS*.THydrogen-bonded Turntrans-77.2-11.8174.4-66.7171.129.800113.6D270 I272 L276D270-Q274 VanDerWaalsContact O-CB 3.28Å; D270-Q274 WeakPolarHBondContact O-CB 3.38Å; D270-Q274 WeakPolarHBondContact O-CG 3.48Å; D270-Q274 PolarHBondContact O-N 2.92Å; I272-Q274 PolarHBondContact O-N 3.19Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 HydrophobicContact CB-CD1 4.13Å; Q274-L276 HydrophobicContact CB-CG 3.99Å
275G88.1Confident78.1Confident18 Ų1869.5 Ų69.519%0.18638%0.379CS..THydrogen-bonded Turntrans80.77-177.400000114.9N160 L271 I272 E273N160-G275 VanDerWaalsContact OD1-C 3.23Å; N160-G275 WeakPolarHBondContact OD1-CA 3.44Å; N160-G275 PolarHBondContact OD1-O 2.95Å; L271-G275 PolarHBondContact O-N 3.08Å; I272-G275 PolarHBondContact O-N 3.17Å; E273-G275 VanDerWaalsContact C-N 3.31Å
276L88.3Confident76.1Confident122 Ų12275.9 Ų75.964%0.63940%0.396SS*.  trans-86.9-12.9-174.2-60.8-179.6000113.7L271 Q274 G278L271-L276 HydrophobicContact CD2-CB 4.3Å; L271-L276 PolarHBondContact O-N 2.9Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 HydrophobicContact CB-CD1 4.13Å; Q274-L276 HydrophobicContact CB-CG 3.99Å; L276-G278 VanDerWaalsContact C-N 3.33Å
277K87.1Confident74.1Confident76 Ų7676 Ų7633%0.3340%0.398SS..SBendtrans-71.1-30.6-179.3-173.960.4179.9-173.20112.6N160 F178 D268 L271 I272N160-K277 WeakPolarHBondContact OD1-CB 3.17Å; N160-K277 PolarHBondContact OD1-N 3.41Å; F178-K277 HydrophobicContact CE1-CD 4.42Å; F178-K277 HydrophobicContact CE1-CG 3.69Å; F178-K277 HydrophobicContact CZ-CG 3.53Å; D268-K277 HydrophobicContact CB-CD 4.3Å; D268-K277 WeakPolarHBondContact OD1-CE 3.4Å; D268-K277 IonicContact OD1-NZ 2.83Å; D268-K277 PolarHBondContact OD1-NZ 2.82Å; D268-K277 WeakPolarHBondContact OD2-CE 3.25Å; D268-K277 IonicContact OD2-NZ 3.12Å; D268-K277 PolarHBondContact OD2-NZ 3.48Å; L271-K277 HydrophobicContact CB-CB 4Å; L271-K277 HydrophobicContact CB-CD 4.46Å; L271-K277 HydrophobicContact CD1-CD 4.4Å; L271-K277 PolarHBondContact O-N 3.36Å; L271-K277 VanDerWaalsContact O-N 3.12Å; I272-K277 HydrophobicContact CG1-CB 3.78Å; I272-K277 HydrophobicContact CG1-CG 3.91Å
278G88.2Confident71.9Confident22 Ų2276 Ų7623%0.22739%0.392CS..  trans76.6172.9-176.600000113.6N160 L276N160-G278 CarbonylContact O-C 3.51Å; N160-G278 WeakPolarHBondContact O-CA 3.35Å; N160-G278 PolarHBondContact OD1-N 2.95Å; L276-G278 VanDerWaalsContact C-N 3.33Å
279M88.7Confident69.7Low55 Ų5581.2 Ų81.227%0.27142%0.416SS..  trans-72.1143.5177.7-71.9-63.4-70.400112.1N160 L166 E170 F174 R281N160-M279 PolarHBondContact O-N 3.13Å; L166-M279 HydrophobicContact CD1-CE 3.66Å; L166-M279 HydrophobicContact CD1-SD 3.66Å; L166-M279 HydrophobicContact CD2-CE 3.69Å; L166-M279 HydrophobicContact CD2-CG 4.16Å; L166-M279 HydrophobicContact CD2-SD 3.97Å; L166-M279 HydrophobicContact CG-CE 4.34Å; L166-M279 HydrophobicContact CG-SD 4.45Å; E170-M279 HydrophobicContact CB-CE 3.87Å; E170-M279 WeakPolarHBondContact O-CE 3.18Å; F174-M279 HydrophobicContact CB-CE 4.1Å; F174-M279 HydrophobicContact CB-SD 4.41Å; F174-M279 HydrophobicContact CD2-CE 4.42Å; F174-M279 HydrophobicContact CD2-SD 3.69Å; F174-M279 HydrophobicContact CE2-SD 4.45Å; F174-M279 HydrophobicContact CG-SD 4.43Å; M279-R281 PolarHBondContact O-N 3.19Å
280P82.8Confident67.3Low24 Ų2483.5 Ų83.516%0.15644%0.435CS..  trans-65.6133.1176.230.5-35000109.6C177 F178 V282C177-P280 HydrophobicContact CB-CB 3.69Å; C177-P280 HydrophobicContact CB-CG 3.86Å; C177-P280 VanDerWaalsContact SG-CB 3.57Å; F178-P280 HydrophobicContact CE2-CB 4.41Å; F178-P280 HydrophobicContact CE2-CG 4.39Å; P280-V282 HydrophobicContact CG-CG2 4.39Å; P280-V282 PolarHBondContact O-N 3.28Å
281R71.6Confident64.9Low248 Ų24886.7 Ų86.794%0.93645%0.446SS*.  trans-7477.4172.5-66.6-175-178.9-172.90.5109.4M279 S283M279-R281 PolarHBondContact O-N 3.19Å; R281-S283 VanDerWaalsContact C-N 3.34Å; R281-S283 PolarHBondContact O-N 3.02Å
282V61.2Low62.7Low76 Ų7686.4 Ų86.446%0.46145%0.45SS..  trans-67.598.1169.9179.50000108.2D173 P280 K284D173-V282 HydrophobicContact CB-CG2 3.72Å; P280-V282 HydrophobicContact CG-CG2 4.39Å; P280-V282 PolarHBondContact O-N 3.28Å; V282-K284 PolarHBondContact O-N 3.29Å
283S44.7Very low60.2Low91 Ų9190.8 Ų90.864%0.63648%0.479SS*.  trans-67.295.4175.151.60000109.7R281 A285R281-S283 VanDerWaalsContact C-N 3.34Å; R281-S283 PolarHBondContact O-N 3.02Å; S283-A285 PolarHBondContact O-N 2.84Å
284K45.4Very low57.8Low166 Ų16696.1 Ų96.172%0.72251%0.506SS*.THydrogen-bonded Turntrans-60.94.6157.5-76.1179.1178.4168.20112.8V282 R286 S287V282-K284 PolarHBondContact O-N 3.29Å; K284-R286 PolarHBondContact O-N 3.05Å; K284-R286 VanDerWaalsContact O-N 3.09Å; K284-S287 WeakPolarHBondContact O-CB 3.42Å; K284-S287 PolarHBondContact O-N 3.11Å
285A35.8Very low55.8Low31 Ų3197.3 Ų97.326%0.25651%0.511SS..Hα-helixtrans-52.2-21.617000000113.9S283 S287 A288 E289S283-A285 PolarHBondContact O-N 2.84Å; A285-S287 CarbonylContact O-C 3.57Å; A285-S287 PolarHBondContact O-N 3.18Å; A285-A288 CarbonylContact O-C 3.48Å; A285-A288 PolarHBondContact O-N 2.71Å; A285-E289 HydrophobicContact CB-CG 4.47Å; A285-E289 WeakPolarHBondContact O-CB 3.42Å; A285-E289 PolarHBondContact O-N 3.07Å
286R37.1Very low53.8Low222 Ų222103.1 Ų103.184%0.83853%0.534SS*.Hα-helixtrans-55.2-19.5166.9-92.8-171.6170.2-170.7-3.7114.4K284 A290K284-R286 PolarHBondContact O-N 3.05Å; K284-R286 VanDerWaalsContact O-N 3.09Å; R286-A290 VanDerWaalsContact O-CB 3.25Å; R286-A290 WeakPolarHBondContact O-CB 3.46Å
287S39.3Very low51.6Low67 Ų67101 Ų10147%0.46953%0.533SS..Hα-helixtrans-79.4-53.5165.4-170.40000111.5K284 A285 E289 A290 F291K284-S287 WeakPolarHBondContact O-CB 3.42Å; K284-S287 PolarHBondContact O-N 3.11Å; A285-S287 CarbonylContact O-C 3.57Å; A285-S287 PolarHBondContact O-N 3.18Å; S287-E289 PolarHBondContact O-N 2.96Å; S287-A290 PolarHBondContact O-N 2.94Å; S287-F291 WeakPolarHBondContact O-CD2 3.17Å; S287-F291 PolarHBondContact O-N 2.94Å
288A38.2Very low49.5Very low65 Ų65103.6 Ų103.654%0.53755%0.551SS.*Hα-helixtrans-65-39.5-174.800000114.1A285 F291 S292A285-A288 CarbonylContact O-C 3.48Å; A285-A288 PolarHBondContact O-N 2.71Å; A288-F291 PolarHBondContact O-N 3.19Å; A288-S292 WeakPolarHBondContact O-CB 3.38Å; A288-S292 PolarHBondContact O-N 3.34Å
289E37.3Very low47.6Very low127 Ų127108.7 Ų108.759%0.59357%0.572SS**Hα-helixtrans-69.8-36.7175.5-68.4166.5178.600111.3A285 S287 S292 C293A285-E289 HydrophobicContact CB-CG 4.47Å; A285-E289 WeakPolarHBondContact O-CB 3.42Å; A285-E289 PolarHBondContact O-N 3.07Å; S287-E289 PolarHBondContact O-N 2.96Å; E289-S292 PolarHBondContact O-N 3.39Å; E289-C293 WeakPolarHBondContact O-CB 3.44Å; E289-C293 PolarHBondContact O-N 3.26Å
290A35.4Very low45.1Very low53 Ų53112.3 Ų112.344%0.43860%0.6SS.*Hα-helixtrans-66.3-40.6172.600000111.7R286 S287 M294R286-A290 VanDerWaalsContact O-CB 3.25Å; R286-A290 WeakPolarHBondContact O-CB 3.46Å; S287-A290 PolarHBondContact O-N 2.94Å; A290-M294 WeakPolarHBondContact O-CB 3.27Å; A290-M294 WeakPolarHBondContact O-CG 3.24Å; A290-M294 PolarHBondContact O-N 3.1Å
291F38.6Very low42.7Very low143 Ų143117.1 Ų117.163%0.62763%0.632SS**Hα-helixtrans-65.2-40.7171.7-82.8-67.4000112.3S287 A288 M294 H295S287-F291 WeakPolarHBondContact O-CD2 3.17Å; S287-F291 PolarHBondContact O-N 2.94Å; A288-F291 PolarHBondContact O-N 3.19Å; F291-M294 PolarHBondContact O-N 3.42Å; F291-H295 WeakPolarHBondContact O-CB 3.45Å; F291-H295 PolarHBondContact O-N 3.27Å
292S43.3Very low41Very low65 Ų65109.7 Ų109.746%0.45562%0.619SS.*Hα-helixtrans-65-41.1177.7-165.80000112.2A288 E289 H295 Q296A288-S292 WeakPolarHBondContact O-CB 3.38Å; A288-S292 PolarHBondContact O-N 3.34Å; E289-S292 PolarHBondContact O-N 3.39Å; S292-H295 PolarHBondContact O-N 2.94Å; S292-Q296 WeakPolarHBondContact O-CG 3.49Å; S292-Q296 PolarHBondContact O-N 2.85Å
293C35.8Very low39.8Very low92 Ų92112.7 Ų112.762%0.62264%0.64SS**Hα-helixtrans-65.8-36.5174.4-168.60000112.5E289E289-C293 WeakPolarHBondContact O-CB 3.44Å; E289-C293 PolarHBondContact O-N 3.26Å
294M39.1Very low39.4Very low134 Ų134111.9 Ų111.966%0.6664%0.639SS**Hα-helixtrans-69.1-37.9172.7-74-81.2-63.300112.3A290 F291 A297A290-M294 WeakPolarHBondContact O-CB 3.27Å; A290-M294 WeakPolarHBondContact O-CG 3.24Å; A290-M294 PolarHBondContact O-N 3.1Å; F291-M294 PolarHBondContact O-N 3.42Å; M294-A297 WeakPolarHBondContact O-CB 3.29Å; M294-A297 PolarHBondContact O-N 3Å
295H45.3Very low39Very low146 Ų146112.3 Ų112.368%0.67665%0.645SS**Hα-helixtrans-74.4-31.4-176.9-133.3-51.4000112.8F291 S292 A297 N298F291-H295 WeakPolarHBondContact O-CB 3.45Å; F291-H295 PolarHBondContact O-N 3.27Å; S292-H295 PolarHBondContact O-N 2.94Å; H295-A297 VanDerWaalsContact C-N 3.26Å; H295-A297 PolarHBondContact O-N 3.47Å; H295-N298 PolarHBondContact O-N 2.94Å
296Q46.5Very low39Very low141 Ų141118.3 Ų118.366%0.65967%0.672SS**Hα-helixtrans-68.4-23.1171.3-73.1179.9-1.900113S292 N298S292-Q296 WeakPolarHBondContact O-CG 3.49Å; S292-Q296 PolarHBondContact O-N 2.85Å; Q296-N298 PolarHBondContact O-N 3.27Å
297A41.7Very low39Very low76 Ų76116.2 Ų116.263%0.62867%0.671SS**THydrogen-bonded Turntrans-75.5-7.4176.100000114.1M294 H295M294-A297 WeakPolarHBondContact O-CB 3.29Å; M294-A297 PolarHBondContact O-N 3Å; H295-A297 VanDerWaalsContact C-N 3.26Å; H295-A297 PolarHBondContact O-N 3.47Å
298N43.8Very low38.9Very low131 Ų131123.5 Ų123.570%0.70169%0.689SS**THydrogen-bonded Turntrans-100.111.5-179.9-75-33.5000114.1H295 Q296H295-N298 PolarHBondContact O-N 2.94Å; Q296-N298 PolarHBondContact O-N 3.27Å
299L47.3Very low38.6Very low130 Ų130132.1 Ų132.168%0.68171%0.707SS**SBendtrans-81.4132.4166.8-73.8167.8000109.6C301L299-C301 VanDerWaalsContact C-N 3.29Å; L299-C301 PolarHBondContact O-N 3.46Å
300P37.7Very low38.7Very low131 Ų131133 Ų13385%0.85171%0.711SS**  trans-73.283.1179.430.5-34.6000110.3
301C32Very low38.8Very low124 Ų124133.4 Ų133.484%0.83871%0.711SS**  trans-73.5131.9175.7-157.50000110L299L299-C301 VanDerWaalsContact C-N 3.29Å; L299-C301 PolarHBondContact O-N 3.46Å
302S35.4Very low39.1Very low93 Ų93131.6 Ų131.665%0.6571%0.713SS**  trans-60.8146-172.6-171.10000112.2A304S302-A304 PolarHBondContact O-N 3.37Å
303P36.9Very low39.1Very low139 Ų139133.9 Ų133.990%0.90372%0.724SS**SBendtrans-69.115.8-171.6-20.133.8000116.9
304A36.4Very low39.3Very low74 Ų74132.1 Ų132.161%0.61272%0.716SS**SBendtrans-110.6125.5-176.100000111.5S302S302-A304 PolarHBondContact O-N 3.37Å
305M36.3Very low39.5Very low174 Ų174128.9 Ų128.986%0.85770%0.704SS**  trans78.852.1166.7-44.6-127.474.700117.9Q307M305-Q307 PolarHBondContact O-N 3.49Å
306I35.6Very low39.7Very low158 Ų158131.8 Ų131.881%0.8171%0.709SS**  trans-86.789.7155.9-56.8178.4000109.2R308I306-R308 HydrophobicContact CG2-CG 4.5Å; I306-R308 PolarHBondContact O-N 3.36Å
307Q36.3Very low39.5Very low178 Ų178132.5 Ų132.583%0.83271%0.707SS**  trans-69106.7160.1-91.4-179.9-20.400108.4M305 R309M305-Q307 PolarHBondContact O-N 3.49Å; Q307-R309 PolarHBondContact O-N 3.3Å
308R37.3Very low40Very low220 Ų220134.1 Ų134.183%0.8371%0.705SS**  trans-64.197.8174.4-75.3-170177.3-170.31.6110I306 E310I306-R308 HydrophobicContact CG2-CG 4.5Å; I306-R308 PolarHBondContact O-N 3.36Å; R308-E310 PolarHBondContact O-N 3.03Å
309R33.4Very low40.4Very low245 Ų245132.6 Ų132.693%0.92570%0.696SS**  trans-88.395.8168-156.4178.3-166.9-169.74.5108.4Q307 S311Q307-R309 PolarHBondContact O-N 3.3Å; R309-S311 PolarHBondContact O-N 3.2Å
310E38.1Very low40.5Very low145 Ų145130.5 Ų130.568%0.67868%0.68SS**  trans-63.7131.2179.8-63.6-172.8159.300110.7R308R308-E310 PolarHBondContact O-N 3.03Å
311S37.6Very low41.2Very low62 Ų62126.7 Ų126.743%0.43465%0.654SS.*  trans-76.2128.5178.1176.30000110R309 V313 A314R309-S311 PolarHBondContact O-N 3.2Å; S311-V313 PolarHBondContact O-N 3.05Å; S311-V313 PolarHBondContact OG-N 3.32Å; S311-A314 PolarHBondContact O-N 2.98Å
312P44.8Very low42.2Very low105 Ų105124.7 Ų124.768%0.68264%0.635SS**Hα-helixtrans-56.2-18.2176.7-26.635000114.6R316P312-R316 VanDerWaalsContact O-CG 3.29Å; P312-R316 WeakPolarHBondContact O-CG 3.45Å
313V44.7Very low43.1Very low113 Ų113125.4 Ų125.469%0.68563%0.631SS**Hα-helixtrans-75.9-31.6177.9-174.60000112S311S311-V313 PolarHBondContact O-N 3.05Å; S311-V313 PolarHBondContact OG-N 3.32Å
314A39Very low43.6Very low55 Ų55123.2 Ų123.246%0.45561%0.611SS.*Hα-helixtrans-74.3-39.9-178.600000112.1S311 R316 Y317 L318S311-A314 PolarHBondContact O-N 2.98Å; A314-R316 PolarHBondContact O-N 2.97Å; A314-Y317 PolarHBondContact O-N 3.33Å; A314-L318 PolarHBondContact O-N 3.07Å
315V43.5Very low44.1Very low67 Ų67123.7 Ų123.741%0.40661%0.606SS.*Hα-helixtrans-60.4-46.2177.7-174.60000110.7Y317 L318 D319V315-Y317 PolarHBondContact O-N 2.93Å; V315-L318 PolarHBondContact O-N 3.17Å; V315-L318 VanDerWaalsContact O-N 3.17Å; V315-D319 PolarHBondContact O-N 3.46Å
316R49.3Very low44.6Very low206 Ų206121.8 Ų121.878%0.77760%0.6SS**Hα-helixtrans-55.7-33.6176.4-69.3-95.8-173.7153.10.4113.7P312 A314 Y320P312-R316 VanDerWaalsContact O-CG 3.29Å; P312-R316 WeakPolarHBondContact O-CG 3.45Å; A314-R316 PolarHBondContact O-N 2.97Å; R316-Y320 WeakPolarHBondContact O-CB 3.48Å; R316-Y320 PolarHBondContact O-N 2.96Å; R316-Y320 VanDerWaalsContact O-N 3.17Å
317Y41.5Very low44.8Very low156 Ų156120.9 Ų120.961%0.61259%0.592SS**Hα-helixtrans-78.5-38.2-179.4-165.7-87.8000111.9A314 V315 Y320 V321A314-Y317 PolarHBondContact O-N 3.33Å; V315-Y317 PolarHBondContact O-N 2.93Å; Y317-Y320 PolarHBondContact O-N 3.44Å; Y317-V321 HydrophobicContact CD1-CG2 4.04Å; Y317-V321 HydrophobicContact CE1-CG2 3.77Å; Y317-V321 WeakPolarHBondContact O-CG2 3.45Å; Y317-V321 PolarHBondContact O-N 3.49Å
318L52Low44.7Very low111 Ų111123.3 Ų123.358%0.58159%0.593SS**Hα-helixtrans-66.6-44.3174.2-85.6155.4000111.8A314 V315 Y320 V321 N322A314-L318 PolarHBondContact O-N 3.07Å; V315-L318 PolarHBondContact O-N 3.17Å; V315-L318 VanDerWaalsContact O-N 3.17Å; L318-Y320 VanDerWaalsContact C-N 3.32Å; L318-Y320 PolarHBondContact O-N 3.17Å; L318-V321 PolarHBondContact O-N 2.97Å; L318-N322 WeakPolarHBondContact O-CB 3.41Å; L318-N322 VanDerWaalsContact O-CG 3.24Å; L318-N322 PolarHBondContact O-N 3.45Å; L318-N322 PolarHBondContact O-ND2 3.24Å
319D53.3Low44.5Very low99 Ų99118.7 Ų118.753%0.52959%0.592SS.*Hα-helixtrans-60.6-41.1174.1-72.7-25.5000111.9V315 N322 L323V315-D319 PolarHBondContact O-N 3.46Å; D319-N322 PolarHBondContact O-N 3.17Å; D319-L323 WeakPolarHBondContact O-CB 3.5Å; D319-L323 PolarHBondContact O-N 3.43Å
320Y48.4Very low44.7Very low86 Ų86111.7 Ų111.734%0.33759%0.586SS.*Hα-helixtrans-62.5-50.8175.1-179.8-109.8000111.6F192 R316 Y317 L318 N322 L323 I324F192-Y320 HydrophobicContact CD1-CE1 4.38Å; F192-Y320 AromaticContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD1 3.77Å; F192-Y320 HydrophobicContact CE1-CD2 4.43Å; F192-Y320 AromaticContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE1 3.51Å; F192-Y320 HydrophobicContact CE1-CE2 4.22Å; F192-Y320 HydrophobicContact CE1-CG 4.22Å; F192-Y320 AromaticContact CE1-CZ 3.75Å; F192-Y320 HydrophobicContact CE2-CE1 4.25Å; F192-Y320 AromaticContact CE2-CE2 3.8Å; F192-Y320 HydrophobicContact CE2-CE2 3.8Å; F192-Y320 AromaticContact CE2-CZ 3.61Å; F192-Y320 AromaticContact CZ-CD1 3.84Å; F192-Y320 HydrophobicContact CZ-CD1 3.84Å; F192-Y320 AromaticContact CZ-CD2 3.7Å; F192-Y320 HydrophobicContact CZ-CD2 3.7Å; F192-Y320 AromaticContact CZ-CE1 3.45Å; F192-Y320 HydrophobicContact CZ-CE1 3.45Å; F192-Y320 VanDerWaalsContact CZ-CE1 3.45Å; F192-Y320 AromaticContact CZ-CE2 3.31Å; F192-Y320 HydrophobicContact CZ-CE2 3.31Å; F192-Y320 AromaticContact CZ-CG 3.95Å; F192-Y320 HydrophobicContact CZ-CG 3.95Å; F192-Y320 AromaticContact CZ-CZ 3.17Å; R316-Y320 WeakPolarHBondContact O-CB 3.48Å; R316-Y320 PolarHBondContact O-N 2.96Å; R316-Y320 VanDerWaalsContact O-N 3.17Å; Y317-Y320 PolarHBondContact O-N 3.44Å; L318-Y320 VanDerWaalsContact C-N 3.32Å; L318-Y320 PolarHBondContact O-N 3.17Å; Y320-N322 VanDerWaalsContact C-N 3.28Å; Y320-N322 PolarHBondContact O-N 3.2Å; Y320-L323 WeakPolarHBondContact O-CA 3.07Å; Y320-L323 WeakPolarHBondContact O-CB 3.39Å; Y320-L323 PolarHBondContact O-N 3.38Å; Y320-I324 HydrophobicContact CD1-CD1 4.02Å; Y320-I324 HydrophobicContact CD1-CG1 4.34Å; Y320-I324 HydrophobicContact CE1-CD1 3.57Å; Y320-I324 HydrophobicContact CE1-CG1 4.13Å; Y320-I324 HydrophobicContact CE2-CG2 4.49Å; Y320-I324 WeakPolarHBondContact O-CG1 3.35Å; Y320-I324 PolarHBondContact O-N 3.41Å
321V52.7Low44.7Very low51 Ų51114.3 Ų114.331%0.30960%0.596SS.*Hα-helixtrans-59.7-38.6178.6170.70000111.6Y317 L318 T325Y317-V321 HydrophobicContact CD1-CG2 4.04Å; Y317-V321 HydrophobicContact CE1-CG2 3.77Å; Y317-V321 WeakPolarHBondContact O-CG2 3.45Å; Y317-V321 PolarHBondContact O-N 3.49Å; L318-V321 PolarHBondContact O-N 2.97Å; V321-T325 HydrophobicContact CG1-CG2 4.38Å; V321-T325 WeakPolarHBondContact O-CB 3.48Å; V321-T325 VanDerWaalsContact O-CG2 3.31Å; V321-T325 WeakPolarHBondContact O-CG2 3.37Å; V321-T325 PolarHBondContact O-N 2.82Å; V321-T325 PolarHBondContact O-OG1 3.41Å
322N54.6Low44.3Very low82 Ų82120.6 Ų120.644%0.43962%0.618SS.*Hα-helixtrans-65.5-34.7172.6-70.6-25.9000112.6L318 D319 Y320 T325 N326L318-N322 WeakPolarHBondContact O-CB 3.41Å; L318-N322 VanDerWaalsContact O-CG 3.24Å; L318-N322 PolarHBondContact O-N 3.45Å; L318-N322 PolarHBondContact O-ND2 3.24Å; D319-N322 PolarHBondContact O-N 3.17Å; Y320-N322 VanDerWaalsContact C-N 3.28Å; Y320-N322 PolarHBondContact O-N 3.2Å; N322-T325 WeakPolarHBondContact CA-OG1 3.45Å; N322-T325 PolarHBondContact O-OG1 3.22Å; N322-N326 WeakPolarHBondContact O-CB 3.31Å; N322-N326 PolarHBondContact O-N 3.06Å; N322-N326 PolarHBondContact O-ND2 3.44Å
323L52.8Low44Very low107 Ų107121.1 Ų121.156%0.5662%0.62SS**Hα-helixtrans-72.2-38179-173.264.6000113.5D319 Y320 Q327D319-L323 WeakPolarHBondContact O-CB 3.5Å; D319-L323 PolarHBondContact O-N 3.43Å; Y320-L323 WeakPolarHBondContact O-CA 3.07Å; Y320-L323 WeakPolarHBondContact O-CB 3.39Å; Y320-L323 PolarHBondContact O-N 3.38Å; L323-Q327 WeakPolarHBondContact O-CG 3.39Å; L323-Q327 PolarHBondContact O-NE2 3.36Å
324I46.9Very low43.6Very low93 Ų93122.7 Ų122.748%0.47762%0.624SS.*Hα-helixtrans-78.2-29.6175.529160.8000113Y320Y320-I324 HydrophobicContact CD1-CD1 4.02Å; Y320-I324 HydrophobicContact CD1-CG1 4.34Å; Y320-I324 HydrophobicContact CE1-CD1 3.57Å; Y320-I324 HydrophobicContact CE1-CG1 4.13Å; Y320-I324 HydrophobicContact CE2-CG2 4.49Å; Y320-I324 WeakPolarHBondContact O-CG1 3.35Å; Y320-I324 PolarHBondContact O-N 3.41Å
325T48.3Very low43.2Very low85 Ų85126.8 Ų126.852%0.52164%0.638SS.*Hα-helixtrans-77.8-28.3178.648.90000113.8V321 N322 Q327V321-T325 HydrophobicContact CG1-CG2 4.38Å; V321-T325 WeakPolarHBondContact O-CB 3.48Å; V321-T325 VanDerWaalsContact O-CG2 3.31Å; V321-T325 WeakPolarHBondContact O-CG2 3.37Å; V321-T325 PolarHBondContact O-N 2.82Å; V321-T325 PolarHBondContact O-OG1 3.41Å; N322-T325 WeakPolarHBondContact CA-OG1 3.45Å; N322-T325 PolarHBondContact O-OG1 3.22Å; T325-Q327 VanDerWaalsContact C-N 3.31Å; T325-Q327 PolarHBondContact O-N 2.68Å
326N46.8Very low42.5Very low133 Ų133128.4 Ų128.471%0.71166%0.658SS**THydrogen-bonded Turntrans-83.86.8178.7-75.3-58.7000114.9N322N322-N326 WeakPolarHBondContact O-CB 3.31Å; N322-N326 PolarHBondContact O-N 3.06Å; N322-N326 PolarHBondContact O-ND2 3.44Å
327Q38.9Very low41.8Very low140 Ų140123.4 Ų123.465%0.65466%0.655SS**THydrogen-bonded Turntrans-101.421.5-178.9-76.7-172.753.900115.3L323 T325L323-Q327 WeakPolarHBondContact O-CG 3.39Å; L323-Q327 PolarHBondContact O-NE2 3.36Å; T325-Q327 VanDerWaalsContact C-N 3.31Å; T325-Q327 PolarHBondContact O-N 2.68Å
328R35.5Very low41.5Very low228 Ų228124.1 Ų124.186%0.8667%0.668SS**  trans-76.7125.9167-82.4-175.1177159.91.3110.6A330R328-A330 PolarHBondContact O-N 2.91Å; R328-A330 VanDerWaalsContact O-N 3.1Å
329P33.2Very low40.6Very low123 Ų123128.8 Ų128.880%0.79968%0.684SS**  trans-71.5107.4174.928.9-32.7000109.6K331P329-K331 PolarHBondContact O-N 2.78Å
330A36.7Very low39.7Very low98 Ų98129.5 Ų129.581%0.8170%0.697SS**  trans-64.1125.2169.300000109.2R328 Q332R328-A330 PolarHBondContact O-N 2.91Å; R328-A330 VanDerWaalsContact O-N 3.1Å; A330-Q332 PolarHBondContact O-N 3.49Å
331K37.8Very low39.2Very low201 Ų201130.7 Ų130.787%0.87472%0.718SS**  trans-63.4136.8178.4-75.5-179.2176178.60110.4P329 T333P329-K331 PolarHBondContact O-N 2.78Å; K331-T333 PolarHBondContact O-N 3.24Å
332Q30.5Very low38.5Very low193 Ų193137.4 Ų137.490%0.90275%0.746SS**  trans-68.8113179.4178178.25.500111.7A330A330-Q332 PolarHBondContact O-N 3.49Å
333T37.8Very low37.4Very low117 Ų117139.3 Ų139.372%0.71877%0.765SS**  trans-148.4119.716149.50000109.6K331K331-T333 PolarHBondContact O-N 3.24Å
334D35.6Very low36.5Very low145 Ų145139.5 Ų139.578%0.77578%0.776SS**  trans43.2139.7147-57.9-19.7000121.4
335L30.4Very low36.1Very low142 Ų142139.4 Ų139.474%0.74379%0.789SS**  cis176.4136.2-15.3-114.7171.4000103.9S337L335-S337 PolarHBondContact O-N 3.17Å
336A30.4Very low35.5Very low100 Ų100142.7 Ų142.783%0.82680%0.802SS**  trans37.170.3151.300000119.9
337S34.1Very low34.7Very low101 Ų101141.1 Ų141.171%0.70680%0.801SS**  trans-157.2167.6148.158.10000111.2L335L335-S337 PolarHBondContact O-N 3.17Å
338L35Very low34.3Very low172 Ų172139.9 Ų139.990%0.90181%0.808SS**SBendtrans77.83.8176.1-54.2172.3000119.2
339F32.2Very low34.2Very low209 Ų209136.7 Ų136.792%0.91781%0.806SS**  trans-95.885153.8-86.5-75000110.6
340S34.4Very low34.2Very low114 Ų114135.8 Ų135.880%0.79780%0.803SS**  trans-161139.8161.4-84.90000111
341S38.6Very low34Very low111 Ų111137.3 Ų137.378%0.77680%0.804SS**SBendtrans104101.7173.6-50.40000116.5
342Q37.9Very low33.7Very low192 Ų192133.6 Ų133.690%0.89780%0.799SS**  trans90.173.3144.4-58.4-178.944.500118.2
343S30.9Very low33.6Very low121 Ų121134.4 Ų134.485%0.84679%0.793SS**  trans-69.8131.8143.7172.50000110.9
344S35.6Very low33.3Very low111 Ų111139.4 Ų139.478%0.77680%0.8SS**  trans-179.5106.6136.449.30000113
345A37.4Very low32.9Very low91 Ų91140.1 Ų140.175%0.75280%0.799SS**  169.3111.1128.500000113.5
346I35.7Very low32.8Very low154 Ų154141.3 Ų141.379%0.7981%0.805SS**  trans51.484.7134.3-49.1171.3000116.1
347S31Very low33Very low101 Ų101142.3 Ų142.371%0.70680%0.803SS**  62.296.779.679.60000116.9
348S30.4Very low32.8Very low114 Ų114145.5 Ų145.580%0.79781%0.813SS**  166.1162.9121.253.70000112.9
349I32.5Very low32.9Very low160 Ų160142 Ų14282%0.82181%0.809SS**  trans84.783.1169.5-48.2177000117
350S33Very low32.9Very low105 Ų105141.4 Ų141.473%0.73481%0.811SS**  trans9.3148.6143.7-50.20000123.4
351P31.8Very low32.7Very low129 Ų129139.4 Ų139.484%0.83881%0.809SS**PPolyproline II helixtrans-80.6137.9179.733.9-35.3000113.5
352V32.6Very low32.5Very low124 Ų124142.8 Ų142.875%0.75281%0.812SS**PPolyproline II helixtrans-88.1126176.6176.80000111.7
353R28.5Very low32.2Very low209 Ų209140.4 Ų140.479%0.78981%0.806SS**PPolyproline II helixtrans-85.9121.3176.6-175.6-170.5-149.4161.95.7109.6Q355R353-Q355 PolarHBondContact O-N 2.92Å
354Y30.8Very low32.3Very low222 Ų222141.4 Ų141.487%0.87180%0.801SS**  trans-79.8111.4171.2-74.1-81.9000110.6
355Q28.3Very low32.1Very low160 Ų160143.3 Ų143.375%0.74880%0.801SS**  trans-100.9140.5166.5-79.3176.3-81.900109.9R353R353-Q355 PolarHBondContact O-N 2.92Å
356L28.1Very low31.7Very low167 Ų167143.1 Ų143.187%0.87479%0.794SS**  trans-72.1141.1165.2-74.491.4000110.1
357P34.2Very low31.7Very low121 Ų121144.8 Ų144.879%0.78680%0.798SS**  trans-93.6115.7162.19.89.3000110.8
358N30.5Very low31.6Very low168 Ų168147.7 Ų147.790%0.89880%0.8SS**  trans-81.4129.4149.1-90.5-8.2000107.6
359A35.9Very low31.8Very low100 Ų100148.4 Ų148.483%0.82680%0.795SS**  trans-148136.1164.300000110.2
360M32.1Very low31.6Very low195 Ų195148.3 Ų148.396%0.96179%0.791SS**  trans-99.3163.5179.6-57.2-108-70.700109.8
361G31.3Very low31.6Very low73 Ų73153.5 Ų153.575%0.75380%0.801SS**  trans123.596.6154.400000116.6
362E33.8Very low31.6Very low181 Ų181158.6 Ų158.685%0.84680%0.803SS**  trans44.9130.5142-57.5-165.3150.100123.6
363D31Very low31.5Very low142 Ų142158.7 Ų158.776%0.75981%0.807SS**  trans91.4140.2131.7-85.610000125.2
364L34.2Very low31.5Very low143 Ų143158 Ų15875%0.74981%0.81SS**  trans83.878.5157.1-68.9157.2000121
365I31.3Very low31.5Very low151 Ų151155 Ų15577%0.77481%0.809SS**  68.6118.6118.7-68.2-178.9000120.7
366S28.2Very low31.6Very low87 Ų87156.6 Ų156.661%0.60882%0.816SS**  trans63.7114.5143.2-172.80000120.8
367H35.6Very low31.8Very low189 Ų189155.2 Ų155.288%0.87582%0.815SS**  -150.2133.2105.4-109.3-79.9000111.6
368Q28.8Very low31.7Very low161 Ų161154.3 Ų154.375%0.75281%0.811SS**  trans-70.7151.5175.9-63.6179.5-6.700111.6
369N34.3Very low31.7Very low129 Ų129156.2 Ų156.269%0.6981%0.811SS**  -170.2130112.5-96.7-38000115.5
370H30Very low31.4Very low159 Ų159159.8 Ų159.874%0.73681%0.811SS**  trans60.4103.6144.8-70.961.5000120.7
371F31.4Very low31.4Very low214 Ų214157.2 Ų157.294%0.93980%0.8SS**  -163.8128.8104.3-104.9-76.3000109.8
372R32.6Very low31.4Very low235 Ų235162.5 Ų162.589%0.88780%0.803SS**  trans-94.2142.3-172.6-72.5-174.6176.9-166.20.1113.1
373P30.1Very low31.1Very low126 Ų126158.9 Ų158.982%0.81880%0.797SS**  trans-82.6145.5159.434-31.4000111.2
374F28.4Very low31.2Very low196 Ų196159.6 Ų159.686%0.8680%0.801SS**  trans-106.8106.3-176.7-137.2-86.5000110.7
375N30.8Very low31Very low159 Ų159160.8 Ų160.885%0.8580%0.803SS**  trans-171.692.1164-108.1-26.2000111.1
376Q31Very low31.1Very low193 Ų193159.9 Ų159.990%0.90281%0.809SS**  trans171.3117.6146.6-100.5173.40.200111.7
377V32.8Very low31.3Very low138 Ų138162.8 Ų162.884%0.83682%0.817SS**  trans-143.481.3158.81770000103.8
378S32.8Very low31.2Very low101 Ų101165.1 Ų165.171%0.70682%0.818SS**  101.5102.684.265.70000110.6
379K29.6Very low31.4Very low209 Ų209162.5 Ų162.591%0.90982%0.815SS**  trans-67.2135.7157.2-66-180176.4-177.80108
380Q29.4Very low31.4Very low175 Ų175165.6 Ų165.682%0.81883%0.825SS**  trans177.3148.7145.9-96.3-68.2-7.400108.2
381L31.3Very low31.6Very low140 Ų140161 Ų16173%0.73382%0.821SS**  trans93.9134.8174.4-53.9177.9000119
382F32.2Very low31.5Very low185 Ų185156.4 Ų156.481%0.81182%0.815SS**  trans71.872.4174-55.8-68.3000118.3
383S27.6Very low31.7Very low104 Ų104151.7 Ų151.773%0.72781%0.812SS**  trans-60.1141.1134.7-52.50000110.2
384N34Very low31.8Very low158 Ų158153.6 Ų153.685%0.84581%0.81SS**  trans-163.8116.6138.9-96.4-23.6000108.8
385E30.1Very low31.9Very low167 Ų167149 Ų14978%0.7880%0.802SS**  trans-49.9149.6167.9-117.190.1157.500112.7
386C33.2Very low32Very low133 Ų133147 Ų14790%0.89980%0.801SS**  -171.4111.2129.1-97.30000111.1
387D31.5Very low31.9Very low147 Ų147147.6 Ų147.679%0.78680%0.801SS**  trans-65.5140.7167.2-77.3-65.6000112.7
388R32.8Very low32.1Very low238 Ų238146.8 Ų146.890%0.89880%0.799SS**  172.1146.3113.8-95.6171.7176.9146.31.2113.8
389P34.7Very low31.9Very low106 Ų106152.6 Ų152.669%0.68881%0.805SS**  trans-100.5155.2171.237.6-32.1000113.4
390H33.7Very low32Very low195 Ų195153.5 Ų153.590%0.90381%0.805SS**  trans155.2147.3136-94.6-81.7000113.9
391G33.5Very low32.1Very low63 Ų63151.4 Ų151.465%0.64980%0.799SS**  trans90108167.200000113.9
392S29.2Very low32.2Very low117 Ų117150.5 Ų150.582%0.81880%0.804SS**  72.7141.953.483.40000114.7
393V37Very low32.2Very low136 Ų136146.2 Ų146.282%0.82480%0.803SS**  trans91.5132.9-179.5-176.80000113.7
394E31.5Very low32.5Very low165 Ų165150.2 Ų150.277%0.77181%0.81SS**  cis-178.1152.2-24.6-164.9162.7-159.900105.7
395S30.6Very low32.2Very low99 Ų99148 Ų14869%0.69281%0.807SS**  trans24.8126.3160.963.80000121.9
396S34Very low32.3Very low119 Ų119147 Ų14783%0.83281%0.806SS**  -172.3115.8113.6-82.30000112.7
397F28.6Very low32.3Very low204 Ų204146.1 Ų146.190%0.89580%0.797SS**  trans-86.5159.6156.7-87.5-85.7000109.2
398P36.5Very low32.4Very low121 Ų121151.1 Ų151.179%0.78681%0.805SS**  -130.7140.1122.315.14000113.1
399R29Very low32.3Very low223 Ų223147.6 Ų147.684%0.84280%0.799SS**  trans-70.4150.3158.8-71.6175.4173.1155-3.7109.3
400Y31.8Very low32Very low229 Ų229151.9 Ų151.990%0.89880%0.802SS**  trans-126.2123.9147-118.5-89.8000110.2
401N30.8Very low31.9Very low130 Ų130149.9 Ų149.970%0.69580%0.798SS**  trans-88.1147.2167.4-74.6-27.8000108.4
402S34.6Very low31.8Very low121 Ų121154 Ų15485%0.84680%0.801SS**  168.1154104.2530000111.9
403A30.9Very low32.3Very low95 Ų95154.1 Ų154.179%0.78580%0.798SS**  trans-71.7147.2-171.200000113.6
404Q34.8Very low32.1Very low189 Ų189153.8 Ų153.888%0.88380%0.796SS**  trans-128.7131.6140-75.3-165.2-7.500110.1
405S27.8Very low32.2Very low110 Ų110154.2 Ų154.277%0.76980%0.798SS**  trans-81.8122.5174.5161.70000109.2
406L32.8Very low32.2Very low148 Ų148156.8 Ų156.878%0.77580%0.804SS**  trans-130.3122.4162.3-87.6169.9000110.8
407T32.9Very low32.3Very low113 Ų113156.7 Ų156.769%0.69380%0.802SS**  trans-72.5124.7175.743.50000110.3Q409T407-Q409 PolarHBondContact O-N 3.36Å
408W33.4Very low32.3Very low253 Ų253155.8 Ų155.896%0.95880%0.801SS**  trans-80.4100.3167.5-75.894.8000109.6
409Q30.1Very low32.5Very low164 Ų164155.6 Ų155.677%0.76680%0.799SS**  trans-88.4138.8173.7-166.6163.8-35.300109.2T407T407-Q409 PolarHBondContact O-N 3.36Å
410Y27.7Very low32.9Very low195 Ų195151.2 Ų151.277%0.76580%0.798SS**  trans-62.9131.6174.7-100.2-107.5000110.6
411D31.9Very low32.9Very low153 Ų153146.6 Ų146.682%0.81879%0.793SS**  trans-148.5132.1152.3-95.5-45.9000110.6
412H32.3Very low33.1Very low151 Ų151147.9 Ų147.970%0.69980%0.8SS**  trans-97.2127.3178.4-79.7-88.1000110.4
413P38.9Very low33Very low119 Ų119147.2 Ų147.277%0.77379%0.791SS**  trans-80121.5157.7-5.923.9000109.4E415P413-E415 PolarHBondContact O-N 2.81Å
414V32.2Very low33.2Very low129 Ų129152.8 Ų152.878%0.78280%0.798SS**  trans-86102.7168.9176.20000108.1
415E35.2Very low33Very low173 Ų173149.5 Ų149.581%0.80880%0.796SS**  trans-107.5110.2169.8-75.4-165.2146.500111.6P413 C417P413-E415 PolarHBondContact O-N 2.81Å; E415-C417 PolarHBondContact O-N 3.35Å
416N30.9Very low33.5Very low153 Ų153148.6 Ų148.682%0.81880%0.795SS**  trans-71.7112167.2-83.1-33000109.8
417C34.3Very low33.8Very low118 Ų118147.4 Ų147.480%0.79780%0.796SS**  trans-128.4106.1163.4-83.50000110E415E415-C417 PolarHBondContact O-N 3.35Å
418Q30.1Very low33.9Very low185 Ų185148.3 Ų148.386%0.86480%0.804SS**PPolyproline II helixtrans-75.2130171.7-68.7-104.5-48.200109.7
419P40.8Very low34.1Very low116 Ų116141.5 Ų141.575%0.75380%0.795SS**PPolyproline II helixtrans-81123.6163.530.5-28.3000109.8
420T36.7Very low34.5Very low132 Ų132139.8 Ų139.881%0.8180%0.796SS**PPolyproline II helixtrans-63.4146.5176.339.70000112.4
421V32.2Very low34.7Very low131 Ų131141 Ų14179%0.79480%0.8SS**PPolyproline II helixtrans-83.8117-178.9-170.10000109.8
422D34.8Very low34.8Very low157 Ų157144.1 Ų144.184%0.8480%0.802SS**  trans-113.3129.8163.7-96-44.7000110.8
423T31.5Very low34.9Very low108 Ų108141.3 Ų141.366%0.66380%0.799SS**  trans-102.4114.4-167.9-62.50000110.7
424F36.8Very low34.9Very low212 Ų212141.8 Ų141.893%0.9380%0.803SS**  trans-137.5120.6160.9-95.2-81.7000111.9
425S30.7Very low35.2Very low119 Ų119140.5 Ų140.583%0.83280%0.8SS**  trans-73.5138.6-176.3-60.20000113.3
426A36.9Very low35.1Very low92 Ų92141.9 Ų141.976%0.7680%0.803SS**  trans-132.3143.1157.700000109.3
427P39.4Very low35.4Very low123 Ų123143.6 Ų143.680%0.79981%0.806SS**PPolyproline II helixtrans-79.1155.9-167.531.6-36.1000113.5
428P35.8Very low35.3Very low131 Ų131143.6 Ų143.685%0.85180%0.802SS**PPolyproline II helixtrans-78130.5-176.131.4-34.1000112
429S37.3Very low35.7Very low111 Ų111143.1 Ų143.178%0.77680%0.802SS**PPolyproline II helixtrans-97.7143.9164.164.10000110.9Y431S429-Y431 PolarHBondContact O-N 3.1Å
430V38Very low35.4Very low128 Ų128141.7 Ų141.778%0.77680%0.795SS**PPolyproline II helixtrans-76.2121-162.4177.20000112.1Y432V430-Y432 HydrophobicContact CG1-CD2 4.41Å
431Y32.5Very low35.2Very low221 Ų221143.2 Ų143.287%0.86780%0.797SS**PPolyproline II helixtrans-81118.7163-101.6-94.2000110.3S429S429-Y431 PolarHBondContact O-N 3.1Å
432Y33.6Very low35.5Very low217 Ų217142.9 Ų142.985%0.85180%0.796SS**PPolyproline II helixtrans-90.6120.7165.5-124.5-93.1000109.1V430V430-Y432 HydrophobicContact CG1-CD2 4.41Å
433S34.2Very low35.5Very low92 Ų92140.3 Ų140.364%0.64379%0.79SS**  trans-127118.9177.7-174.50000109.3S435S433-S435 PolarHBondContact O-N 3.37Å
434P39.7Very low35.8Very low130 Ų130140.8 Ų140.884%0.84480%0.798SS**  trans-81.584.4175.52.814.5000109.7
435S37.4Very low36.3Very low102 Ų102135.8 Ų135.871%0.71379%0.787SS**  trans-78.2138.9169.746.80000111.3S433 Q437S433-S435 PolarHBondContact O-N 3.37Å; S435-Q437 PolarHBondContact O-N 3.5Å
436K34Very low36.9Very low202 Ų202136.2 Ų136.288%0.87878%0.784SS**  trans-52.4133.3-178.7-60171.2179.1177.60111.9
437Q37.1Very low36.9Very low188 Ų188138.8 Ų138.888%0.87979%0.786SS**  trans-114.5114.6158.3-75.6-170.6-8.500110.3S435S435-Q437 PolarHBondContact O-N 3.5Å
438T32Very low37Very low118 Ų118138.6 Ų138.672%0.72478%0.782SS**  trans-91.9119.5161.8-60.80000107.3
439M38.6Very low37.1Very low176 Ų176142 Ų14287%0.86778%0.784SS**  trans-142.3153.9164.3-88.2-66.6106.100109.1
440S34.2Very low37.2Very low86 Ų86140.7 Ų140.760%0.60178%0.779SS**  trans-127.1144.9-145.3-43.70000113.3
441L32.7Very low37Very low163 Ų163140 Ų14085%0.85378%0.78SS**  trans65.9139161.4-52.5167000114.3
442T37.6Very low37.2Very low124 Ų124136.6 Ų136.676%0.76178%0.782SS**  -158.1156.752.441.40000113.1
443S36.1Very low37.6Very low104 Ų104131.3 Ų131.373%0.72778%0.775SS**  trans12.3138.4149.958.20000120.3
444S38.3Very low37.6Very low118 Ų118137 Ų13783%0.82578%0.783SS**  cis-169.7174.235.2-114.50000113
445P46.6Very low37.5Very low107 Ų107137 Ų13770%0.69577%0.77SS**  trans-114.7175.4-159.442.2-34.7000116.2
446T43.2Very low37.4Very low127 Ų127137.9 Ų137.978%0.77977%0.767SS**  174.5161126.8280000114.8
447N37.5Very low37.4Very low147 Ų147134 Ų13479%0.78676%0.76SS**  trans75.8101.9172.6-60.6-30.3000116.3
448T41.1Very low37.3Very low119 Ų119134.2 Ų134.273%0.7375%0.754SS**  cis8894.125.7-44.90000115.7
449F37.7Very low37.3Very low203 Ų203135 Ų13589%0.8975%0.752SS**  trans173.8142132.5-123.7-101.7000109.1
450A39.6Very low37.1Very low82 Ų82131.9 Ų131.968%0.67875%0.748SS**  cis-155.4147.3-32.400000107.8
451S32.6Very low36.9Very low114 Ų114133.4 Ų133.480%0.79776%0.758SS**  trans-96.3144.1-177.7-51.50000112.4
452V37.7Very low37.3Very low150 Ų150131.2 Ų131.291%0.90975%0.754SS**  trans-143116.4156.1-171.90000110.5
453P41Very low37.3Very low106 Ų106130.3 Ų130.369%0.68875%0.753SS**  trans-127.8130.3169.936.1-22.3000113.6
454Y35.5Very low37.2Very low211 Ų211135.5 Ų135.583%0.82776%0.756SS**  trans169.8155.8155.6-117.9-123.5000106.4
455K37.7Very low36.9Very low129 Ų129142.5 Ų142.556%0.56177%0.765SS**  cis168.6157.5-21.5-155.3-179.3167-1590105
456D34.5Very low36.6Very low122 Ų122141.6 Ų141.665%0.65276%0.758SS**  trans70.3131.8156.3-63.6-35.6000121.5
457V35.3Very low36.1Very low121 Ų121143.6 Ų143.673%0.73376%0.763SS**  trans91.7110.3133.91590000121.3
458Y33.8Very low36.1Very low192 Ų192140.7 Ų140.775%0.75375%0.751SS**  trans89.4116.1142.9-85.4-130.4000123.1
459I33Very low35.6Very low134 Ų134145.9 Ų145.969%0.68776%0.759SS**  36.8108.3127.3-44.6179.9000118
460S33.4Very low35.6Very low110 Ų110143.9 Ų143.977%0.76975%0.752SS**  171.7136.4119.1-76.70000111.8
461S29.9Very low35.4Very low118 Ų118149.1 Ų149.183%0.82576%0.763SS**  trans-77.5143.5171.9-51.90000112
462P40.8Very low35.5Very low117 Ų117146.6 Ų146.676%0.7676%0.755SS**  trans-126.4115.3136.727.4-12.8000109.6
463S37.3Very low35.5Very low105 Ų105147.1 Ų147.173%0.73475%0.751SS**  69.196.573.9-63.90000114
464R34Very low35.3Very low213 Ų213148.4 Ų148.480%0.80475%0.752SS**  trans65.596131-166.5-170-72.3-166.8-4117.3T466R464-T466 HydrophobicContact CG-CG2 3.66Å
465W33.5Very low35.5Very low265 Ų265143.4 Ų143.4100%1.00474%0.743SS**  trans-81124.2144-86.764.8000109
466T38.6Very low35.6Very low89 Ų89142.5 Ų142.555%0.54675%0.753SS.*  trans-89.8132.6-172.345.60000112.4R464 T468R464-T466 HydrophobicContact CG-CG2 3.66Å; T466-T468 WeakPolarHBondContact CB-OG1 3.4Å; T466-T468 PolarHBondContact OG1-OG1 3.31Å
467N32.9Very low35.7Very low168 Ų168147.3 Ų147.390%0.89876%0.762SS**  trans-81.1111.1156.7-148.7-12.2000106.9
468T38.2Very low36Very low86 Ų86145.8 Ų145.853%0.52876%0.757SS.*  trans-130.698.2-176.9-45.40000110.5T466 Q470T466-T468 WeakPolarHBondContact CB-OG1 3.4Å; T466-T468 PolarHBondContact OG1-OG1 3.31Å; T468-Q470 HydrophobicContact CG2-CB 4.28Å
469Y29.7Very low36.4Very low229 Ų229143.3 Ų143.390%0.89876%0.757SS**  trans-91.8112.9163.4-127.8-92.8000107.1
470Q38.1Very low36.7Very low160 Ų160143.7 Ų143.775%0.74876%0.759SS**  trans-147.3105.2176.7-137.31454.100113.5T468T468-Q470 HydrophobicContact CG2-CB 4.28Å
471Q35.1Very low37.1Very low193 Ų193142.6 Ų142.690%0.90276%0.757SS**  trans10.3135.8148.5-62.8173-18.700120.1
472G34.5Very low37.6Very low60 Ų60146.2 Ų146.262%0.61976%0.757SS**  trans161.9114.7138.500000115.9
473I38.6Very low37.4Very low161 Ų161150.1 Ų150.183%0.82676%0.763SS**  64.1123.6126.4-60.3159.7000115.9
474D36.5Very low37.6Very low133 Ų133152 Ų15271%0.71177%0.77SS**  cis-164.9169.815.4-136-21.9000115.4
475T40.6Very low37.9Very low106 Ų106147.1 Ų147.165%0.6576%0.763SS**  trans61.4112.9150.654.70000124.2
476S38.6Very low38.2Very low111 Ų111144.2 Ų144.278%0.77675%0.754SS**  trans73.8150.1133.784.90000118.7
477R36.3Very low38.4Very low223 Ų223147.7 Ų147.784%0.84276%0.764SS**  cis-161.2148.16-141.3174.2-169.6178.62.7108.7
478S43.5Very low38.8Very low89 Ų89145.1 Ų145.162%0.62276%0.759SS**  trans37142142.562.10000121.1
479N40.7Very low39.2Very low139 Ų139146.4 Ų146.474%0.74377%0.769SS**  cis177.11697.4-110.3-17.5000108.5
480I39.9Very low40.5Very low143 Ų143144.9 Ų144.973%0.73379%0.787SS**  trans63.2106153.5-63.9154.6000115.6
481A41.1Very low40.7Very low87 Ų87144.1 Ų144.172%0.71979%0.789SS**  78.3146.558.200000116
482K41.5Very low41Very low194 Ų194141.5 Ų141.584%0.84378%0.783SS**  trans89.2107-177.1-55.3175.3-178.1179.80114
483F35.9Very low41.3Very low199 Ų199146.1 Ų146.187%0.87379%0.792SS**  52.3103.268.9-96.7-85.8000114.6
484T42.5Very low41.5Very low143 Ų143145.2 Ų145.288%0.87779%0.79SS**  -159.8140.8126.712.20000111.5
485V39.4Very low41.8Very low111 Ų111145.9 Ų145.967%0.67380%0.795SS**  trans-96.8144.2174169.50000108.9
486Y41Very low41.9Very low204 Ų204148.6 Ų148.680%0.881%0.805SS**  trans-167.6107.2147.8-92.8-71.5000107.1
487Q42.5Very low42.1Very low162 Ų162151.3 Ų151.376%0.75781%0.807SS**  62.2111.794.3-72.3-173.7-34.300116.1
488S39.6Very low42.5Very low114 Ų114145.8 Ų145.880%0.79780%0.804SS**  trans-66.3175.5149.5-21.40000110.3
489P47Very low42.5Very low114 Ų114150.5 Ų150.574%0.7482%0.819SS**  cis-139.4-157.735.142.5-18.8000112.7
490P58.5Low42.6Very low196 Ų196151.5 Ų151.5100%1.27383%0.826SS**  -108.4055.937.8-35.4000115.5

Retrieved 490 of 490 residues in 1115.6 ms (Link to these results)