G4VIR4_SCHMA Loading...

GATA-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VIR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 458 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low34.6Very low229 Ų229180.5 Ų180.5100%1.12886%0.86SS**  089.20-74-83.613800108.5K3M1-K3 PolarHBondContact O-N 3.41Å
2P37.5Very low34.1Very low119 Ų119174.8 Ų174.877%0.77385%0.846SS**  trans-70.1126.4172.328.2-27.4000108.5H4P2-H4 PolarHBondContact O-N 3.37Å
3K40.6Very low33.9Very low200 Ų200172.5 Ų172.587%0.8784%0.839SS**  trans-60.6127.7178.8-68.9174.1176.9177.50108.7M1 Q5M1-K3 PolarHBondContact O-N 3.41Å; K3-Q5 PolarHBondContact O-N 2.92Å
4H39.4Very low33.2Very low187 Ų187165.4 Ų165.487%0.86682%0.816SS**  trans-53.6102.5166.2-103-89.1000108.6P2 T6P2-H4 PolarHBondContact O-N 3.37Å; H4-T6 PolarHBondContact O-N 2.99Å; H4-T6 VanDerWaalsContact O-N 3.12Å
5Q36.9Very low33.2Very low182 Ų182166.1 Ų166.185%0.8581%0.812SS**  trans-72.3101.7164.9-111.7175.7-4.800106.5K3 V7K3-Q5 PolarHBondContact O-N 2.92Å; Q5-V7 PolarHBondContact O-N 3.21Å; Q5-V7 VanDerWaalsContact O-N 3.07Å
6T36.7Very low32.8Very low123 Ų123159.9 Ų159.976%0.75580%0.797SS**  trans-62.3106.9167.928.30000108.1H4 C8H4-T6 PolarHBondContact O-N 2.99Å; H4-T6 VanDerWaalsContact O-N 3.12Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 3.13Å
7V33.6Very low32.4Very low133 Ų133158.3 Ų158.381%0.80679%0.791SS**  trans-6595.2171.1179.50000107.5Q5 R9Q5-V7 PolarHBondContact O-N 3.21Å; Q5-V7 VanDerWaalsContact O-N 3.07Å; V7-R9 PolarHBondContact O-N 2.9Å
8C33.9Very low32.4Very low116 Ų116155.9 Ų155.978%0.78478%0.781SS**  trans-63.799.6170.7-88.60000108.9T6 R10T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 3.13Å; C8-R10 VanDerWaalsContact C-N 3.34Å; C8-R10 PolarHBondContact O-N 3.41Å
9R26.7Very low32.3Very low229 Ų229153.3 Ų153.386%0.86477%0.773SS**  trans-60.895.8166.4-90-178.7170.5156.7-2.7108.9V7 R11V7-R9 PolarHBondContact O-N 2.9Å; R9-R11 PolarHBondContact O-N 3.05Å
10R32.3Very low32.3Very low226 Ų226153.2 Ų153.285%0.85377%0.77SS**  trans-70.7113.1173.7-156.5171.5178.6172.4-1.7107.5C8 T12C8-R10 VanDerWaalsContact C-N 3.34Å; C8-R10 PolarHBondContact O-N 3.41Å; R10-T12 PolarHBondContact O-N 3.46Å
11R29.1Very low32.2Very low242 Ų242150.9 Ų150.991%0.91377%0.767SS**  trans-69.491.1174.1-64.7178.7-179.3134.4-0.8108.4R9R9-R11 PolarHBondContact O-N 3.05Å
12T29.2Very low31.9Very low112 Ų112151.5 Ų151.569%0.68776%0.757SS**  trans-85.1111167.738.50000108.2R10 S14R10-T12 PolarHBondContact O-N 3.46Å; T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.42Å
13L31Very low31.4Very low144 Ų144154.4 Ų154.475%0.75476%0.758SS**  trans-68.698164.7-68.9167.7000106.6F15L13-F15 PolarHBondContact O-N 3.32Å
14S24.8Very low31Very low74 Ų74151.2 Ų151.252%0.51775%0.749SS.*  trans-70.5120.8170.6-1800000108.4T12 A16T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.42Å; S14-A16 PolarHBondContact O-N 3.27Å
15F32.1Very low30.5Very low175 Ų175150.2 Ų150.277%0.76875%0.749SS**  trans-74.673167.4-63.5-86.5000108.1L13 D17 I18L13-F15 PolarHBondContact O-N 3.32Å; F15-D17 PolarHBondContact O-N 3.4Å; F15-I18 HydrophobicContact CD1-CD1 4.45Å
16A27.7Very low30.1Very low68 Ų68152.6 Ų152.656%0.56275%0.751SS**  trans-65.1103.7164.900000107.4S14S14-A16 PolarHBondContact O-N 3.27Å
17D26.5Very low29.7Very low132 Ų132152.6 Ų152.671%0.70675%0.751SS**  trans60.464.4155.9-54.4-33.4000117.8F15 T19F15-D17 PolarHBondContact O-N 3.4Å; D17-T19 PolarHBondContact O-N 3.35Å
18I31.3Very low29.3Very low116 Ų116153.2 Ų153.260%0.59575%0.75SS**  trans-87.959.8146.7-44.2174.6000108F15 E20 C21F15-I18 HydrophobicContact CD1-CD1 4.45Å; I18-E20 VanDerWaalsContact C-N 3.27Å; I18-C21 HydrophobicContact CG2-CB 4.07Å; I18-C21 VanDerWaalsContact CG2-SG 3.56Å
19T31.8Very low29Very low105 Ų105155 Ų15564%0.64475%0.75SS**  trans-77.9-11.6171.835.10000112.6D17D17-T19 PolarHBondContact O-N 3.35Å
20E30.6Very low29.2Very low152 Ų152151 Ų15171%0.7175%0.746SS**G310 helixtrans-80.8-23.2-178.1-80.8-169.1151.600115.4I18 R22I18-E20 VanDerWaalsContact C-N 3.27Å; E20-R22 VanDerWaalsContact C-N 3.26Å; E20-R22 PolarHBondContact O-N 3.19Å
21C30.3Very low29.1Very low105 Ų105148.7 Ų148.771%0.70975%0.745SS**G310 helixtrans-75.5-11.2-178.3-66.40000114.2I18I18-C21 HydrophobicContact CG2-CB 4.07Å; I18-C21 VanDerWaalsContact CG2-SG 3.56Å
22R27.6Very low29.3Very low242 Ų242144.7 Ų144.791%0.91374%0.742SS**G310 helixtrans-96.6-0.5-172-126.8178.9-171.6165.62.8115.9E20E20-R22 VanDerWaalsContact C-N 3.26Å; E20-R22 PolarHBondContact O-N 3.19Å
23K28.3Very low29.7Very low180 Ų180147.8 Ų147.878%0.78375%0.748SS**SBendtrans-117.50.4-174.6-96.3-176.3178.1-179.50117.6N25K23-N25 VanDerWaalsContact C-N 3.31Å; K23-N25 PolarHBondContact O-N 2.73Å
24I30.4Very low29.7Very low133 Ų133149.2 Ų149.268%0.68276%0.756SS**G310 helixtrans-77.6-15.3-177.2-40.3177.9000112.8R26I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 3.42Å
25N29.4Very low30.4Very low165 Ų165152.5 Ų152.588%0.88277%0.767SS**G310 helixtrans-86.411.9-179.9-76.5-6.7000115.3K23K23-N25 VanDerWaalsContact C-N 3.31Å; K23-N25 PolarHBondContact O-N 2.73Å
26R28.6Very low30.7Very low233 Ų233148.3 Ų148.388%0.87975%0.752SS**G310 helixtrans-134.523-176.2-87.6-168.4178.4157.50.1116.7I24I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 3.42Å
27T27.9Very low31Very low123 Ų123149.4 Ų149.476%0.75576%0.756SS**  trans-111.599164.6310000109.6
28N25.6Very low31.6Very low146 Ų146146.5 Ų146.578%0.78175%0.746SS**  trans-42.7137.7159-83.7-44000111.1
29L28.8Very low31.8Very low152 Ų152148.2 Ų148.280%0.79675%0.749SS**SBendtrans47.1131.4141.2-94.788000119.9
30N30.9Very low31.9Very low145 Ų145148.7 Ų148.778%0.77575%0.747SS**  trans7987.9143.5-123.521.6000116.7
31E29.3Very low32.1Very low178 Ų178149 Ų14983%0.83275%0.746SS**  169.7142.8117.2-93.8177.8166.800109.3H33E31-H33 PolarHBondContact O-N 3.14Å
32N34.3Very low32.3Very low159 Ų159149.2 Ų149.285%0.8574%0.744SS**  trans-60.299.8-172.9-63.1-56.3000112.4
33H36Very low32.3Very low176 Ų176148.6 Ų148.682%0.81574%0.742SS**  trans-139.7106.8150.9-81.7-54.4000109.7E31 I35E31-H33 PolarHBondContact O-N 3.14Å; H33-I35 PolarHBondContact O-N 3.12Å
34D31.9Very low32.5Very low174 Ų174144.7 Ų144.793%0.9374%0.737SS**  trans-57.792.4169.4-71.7-48.8000110D36D34-D36 PolarHBondContact O-N 3.35Å
35I40.3Very low32.4Very low143 Ų143145.4 Ų145.473%0.73374%0.74SS**  trans-80102.5166.6-61.3172.8000106.7H33 S37H33-I35 PolarHBondContact O-N 3.12Å; I35-S37 VanDerWaalsContact C-N 3.3Å; I35-S37 PolarHBondContact O-N 2.84Å
36D36.6Very low32.5Very low87 Ų87142.1 Ų142.147%0.46573%0.725SS.*  trans-61.785.2177.7-168.72.6000110.7D34 S38 K39D34-D36 PolarHBondContact O-N 3.35Å; D36-S38 PolarHBondContact O-N 3.31Å; D36-S38 PolarHBondContact OD1-OG 2.99Å; D36-K39 PolarHBondContact O-N 2.79Å; D36-K39 IonicContact OD2-NZ 3.7Å
37S35.7Very low32.6Very low91 Ų91141.6 Ų141.664%0.63672%0.723SS**Hα-helixtrans-58.4-15.7-177.645.50000113.9I35I35-S37 VanDerWaalsContact C-N 3.3Å; I35-S37 PolarHBondContact O-N 2.84Å
38S37.7Very low32.5Very low71 Ų71143.1 Ų143.150%0.49772%0.722SS.*Hα-helixtrans-68.5-32.817873.10000113.5D36D36-S38 PolarHBondContact O-N 3.31Å; D36-S38 PolarHBondContact OD1-OG 2.99Å
39K36Very low32.6Very low153 Ų153141.2 Ų141.267%0.66572%0.717SS**Hα-helixtrans-81.3-29.4-176.6-77.8175-177.2160.90113.8D36 F41D36-K39 PolarHBondContact O-N 2.79Å; D36-K39 IonicContact OD2-NZ 3.7Å; K39-F41 VanDerWaalsContact C-N 3.33Å
40L33.1Very low32.4Very low114 Ų114138.4 Ų138.460%0.59771%0.71SS**Hα-helixtrans-68.6-35.4177.9-119.298.9000111.6V42 R43L40-V42 PolarHBondContact O-N 3.14Å; L40-R43 PolarHBondContact O-N 3.13Å
41F35.1Very low32.3Very low159 Ų159140.9 Ų140.970%0.69771%0.714SS**Hα-helixtrans-65.1-34.4-176.8-107.6-86.7000113.9K39K39-F41 VanDerWaalsContact C-N 3.33Å
42V35.3Very low32.1Very low109 Ų109137 Ų13766%0.66170%0.703SS**Hα-helixtrans-73.7-32.4-176.2-177.80000111.5L40L40-V42 PolarHBondContact O-N 3.14Å
43R28.2Very low31.6Very low229 Ų229137 Ų13786%0.86470%0.702SS**Hα-helixtrans-78.2-26.6-174.4-140.1174.1-174.5152.20.4113.2L40 M45L40-R43 PolarHBondContact O-N 3.13Å; R43-M45 VanDerWaalsContact C-N 3.33Å
44S30.9Very low31.2Very low99 Ų99135.3 Ų135.369%0.69270%0.699SS**THydrogen-bonded Turntrans-82-8.517991.80000114.1
45M28.4Very low31.1Very low148 Ų148135.1 Ų135.173%0.72969%0.692SS**  trans-93.8-13.8-172.1-138.6176.154.100113.7R43 R47R43-M45 VanDerWaalsContact C-N 3.33Å; M45-R47 PolarHBondContact O-N 3.18Å
46V32.1Very low30.5Very low96 Ų96134 Ų13458%0.58269%0.687SS**SBendtrans-7484.8170.3-172.40000107.9H48V46-H48 PolarHBondContact O-CD2 3.45Å; V46-H48 PolarHBondContact O-N 3.5Å
47R30.6Very low30.1Very low222 Ų222140 Ų14084%0.83871%0.705SS**  trans-65.6102.2176.2-73.7-178.8174.1173.1-0.8109.4M45M45-R47 PolarHBondContact O-N 3.18Å
48H26.6Very low29.6Very low155 Ų155143.3 Ų143.372%0.71871%0.711SS**  trans-85120.1160.8-65.6-75.9000108.1V46 S50V46-H48 PolarHBondContact O-CD2 3.45Å; V46-H48 PolarHBondContact O-N 3.5Å; H48-S50 PolarHBondContact O-N 3.42Å; H48-S50 VanDerWaalsContact O-N 3.17Å
49P27.3Very low29.1Very low106 Ų106146.8 Ų146.869%0.68872%0.724SS**  trans-66.3115.2171.725.9-30.7000109.2
50S24.4Very low28.6Very low93 Ų93145 Ų14565%0.6573%0.73SS**  trans-97.1135167.855.30000110.3H48H48-S50 PolarHBondContact O-N 3.42Å; H48-S50 VanDerWaalsContact O-N 3.17Å
51F27.9Very low28.5Very low196 Ų196144.9 Ų144.986%0.8674%0.739SS**  trans-90.8124.8178.6-55.5-89.6000109.7
52T25.2Very low28Very low98 Ų98146.3 Ų146.360%0.60175%0.747SS**  trans-114.4114.9161.637.20000108.5L54T52-L54 PolarHBondContact O-N 3.42Å
53L24.5Very low27.4Very low159 Ų159150 Ų15083%0.83276%0.757SS**  trans-68.5108.5164.2-81.4158.2000106.7
54L27.7Very low27.3Very low140 Ų140147 Ų14773%0.73376%0.757SS**  trans-105.895.1169.3-159.868.5000107.9T52 D56T52-L54 PolarHBondContact O-N 3.42Å; L54-D56 WeakPolarHBondContact CD2-OD2 3.31Å; L54-D56 WeakPolarHBondContact CG-OD2 3.39Å; L54-D56 PolarHBondContact O-N 3.24Å
55E30.2Very low27Very low169 Ų169147.3 Ų147.379%0.7976%0.757SS**  trans-78.987.7164.6-73.5-177.1167.600108.3
56D27.6Very low26.6Very low119 Ų119149.8 Ų149.864%0.63676%0.764SS**  trans-110.980.5166.9-75.4-30.6000109.5L54 Q58L54-D56 WeakPolarHBondContact CD2-OD2 3.31Å; L54-D56 WeakPolarHBondContact CG-OD2 3.39Å; L54-D56 PolarHBondContact O-N 3.24Å; D56-Q58 PolarHBondContact O-N 3.2Å
57Y28.1Very low26.2Very low214 Ų214153.2 Ų153.284%0.83978%0.778SS**  trans-58.7105.9146.7-97.2-97.2000108.2
58Q25.4Very low25.8Very low161 Ų161148.1 Ų148.175%0.75277%0.772SS**  trans-139.189.3162.2-81.7-70.9-30.400109.5D56 S60D56-Q58 PolarHBondContact O-N 3.2Å; Q58-S60 PolarHBondContact O-N 3.1Å
59N27Very low25.6Very low144 Ų144148.2 Ų148.277%0.7778%0.777SS**  trans18.9101.6137.4-62.2-10.9000116.7
60S26.1Very low25.3Very low114 Ų114152.6 Ų152.680%0.79779%0.785SS**  trans-125.6100.1145.170.30000108.8Q58 H62Q58-S60 PolarHBondContact O-N 3.1Å; S60-H62 PolarHBondContact O-N 3.44Å
61S28.9Very low25.2Very low112 Ų112155.4 Ų155.478%0.78379%0.793SS**  trans-52.3105.4169.7450000111.5
62H26Very low25Very low189 Ų189150.7 Ų150.788%0.87578%0.784SS**  trans-130.898.8149.9-106-64.8000107.9S60 L64S60-H62 PolarHBondContact O-N 3.44Å; H62-L64 PolarHBondContact O-N 2.87Å
63E21.7Very low25Very low186 Ų186154.1 Ų154.187%0.86980%0.799SS**  trans-54115.7168.7-66.9172.5136.900110
64L26Very low24.9Very low166 Ų166151.5 Ų151.587%0.86979%0.794SS**  trans-140.3143.5150.7-85.8175.2000108.6H62H62-L64 PolarHBondContact O-N 2.87Å
65P24.9Very low24.7Very low106 Ų106153.1 Ų153.169%0.68880%0.798SS**  trans-85.5153.5-133.931.6-35.7000113.7L67P65-L67 PolarHBondContact O-N 3.28Å
66F21.4Very low24.6Very low201 Ų201155.2 Ų155.288%0.88281%0.805SS**  trans-36.8101.5166-76.4-97.8000112.8
67L22.9Very low24.4Very low167 Ų167158.6 Ų158.687%0.87481%0.814SS**  trans-100.885.4153.6-95.8155.2000107P65 L69P65-L67 PolarHBondContact O-N 3.28Å; L67-L69 PolarHBondContact O-N 3.02Å
68T23.1Very low24.3Very low116 Ų116155.6 Ų155.671%0.71281%0.812SS**  trans-44.6120.4160.529.70000109.7K70T68-K70 PolarHBondContact O-N 2.82Å
69L22.2Very low24.1Very low157 Ų157153.3 Ų153.382%0.82281%0.809SS**  trans-53.2108.1168.6-130.794.7000108.4L67L67-L69 PolarHBondContact O-N 3.02Å
70K20.4Very low23.9Very low197 Ų197151.6 Ų151.686%0.85781%0.808SS**  trans-125.5126.1156.7-103.3-166.1173.6-174.40108.2T68T68-K70 PolarHBondContact O-N 2.82Å
71D22.4Very low23.6Very low152 Ų152154.4 Ų154.481%0.81381%0.808SS**  trans-54.5130.6179.8-59-61.4000112.5
72S22.6Very low23.3Very low97 Ų97153 Ų15368%0.67880%0.799SS**  trans175.4101.6143.849.30000109.4
73N25.3Very low23.1Very low171 Ų171150.1 Ų150.191%0.91479%0.794SS**  trans-144.770.6147.8-94.9-25.2000108.8Q75N73-Q75 PolarHBondContact O-N 3.29Å
74S24.1Very low23Very low103 Ų103149 Ų14972%0.7279%0.789SS**  trans-53.9107142.151.10000109.1
75Q22.6Very low22.8Very low174 Ų174148.2 Ų148.281%0.81378%0.783SS**  trans177.866.9148.5-99.5176.840.800109.3N73N73-Q75 PolarHBondContact O-N 3.29Å
76F28.4Very low22.6Very low213 Ų213149.2 Ų149.293%0.93478%0.782SS**  trans-116.284.1143.8-99.4-86.3000106.7N78F76-N78 PolarHBondContact O-N 3.14Å
77K22.5Very low22.6Very low190 Ų190145.9 Ų145.983%0.82677%0.774SS**  trans-68.2113.1159.3-88.6-172.6170.5-1760106.8
78N26.6Very low22.5Very low151 Ų151143.4 Ų143.481%0.80777%0.771SS**  trans-150.297.9139.2-95.1-14.1000107.6F76F76-N78 PolarHBondContact O-N 3.14Å
79T21.9Very low22.7Very low113 Ų113146 Ų14669%0.69378%0.779SS**  65.9102.8129.2-320000118.5
80C21.6Very low22.5Very low109 Ų109147.8 Ų147.874%0.73678%0.78SS**  trans53.1128.3133-52.50000118.2
81E20.9Very low23.3Very low172 Ų172143.6 Ų143.680%0.80477%0.773SS**  cis-171.3153.419.4-137.2175165.100108.3
82S21.9Very low23.2Very low84 Ų84143.2 Ų143.259%0.58777%0.771SS**  trans29.5113.4148.151.40000119.1
83T21.1Very low23.2Very low127 Ų127144.1 Ų144.178%0.77978%0.777SS**  46111.976.9-38.40000109.8
84E20.1Very low22.9Very low162 Ų162143.6 Ų143.676%0.75778%0.775SS**  172.4165.282.1-154161.6-146.100109.5
85M22.9Very low23Very low150 Ų150143.5 Ų143.574%0.73977%0.774SS**  trans92.997.5167-50.7-58.3-135.100116.2
86N20.8Very low22.7Very low127 Ų127144.1 Ų144.168%0.67978%0.777SS**  83.3134.470.9-77.6-28000114.5
87D21.4Very low22.5Very low131 Ų131139.4 Ų139.470%0.70177%0.768SS**  trans79.497.8152.7-60-32.6000120.8L89D87-L89 PolarHBondContact O-N 3.47Å
88S20.1Very low22.3Very low116 Ų116134.2 Ų134.281%0.81176%0.761SS**  31.987.8111.4-57.40000117.7
89L26.1Very low22.2Very low171 Ų171135.3 Ų135.390%0.89577%0.765SS**  trans-12799.1151.5-77168.5000110D87D87-L89 PolarHBondContact O-N 3.47Å
90K19.2Very low22.2Very low193 Ų193136.8 Ų136.884%0.83977%0.769SS**  trans-60.9170145.4-95.1179.7174.9176.30109.2
91P36.5Very low22.7Very low110 Ų110136.1 Ų136.171%0.71476%0.763SS**  cis-135.2-175-29.135.9-17.4000112.8
92N20Very low22.9Very low144 Ų144136.8 Ų136.877%0.7776%0.764SS**  trans86.190.3151.1-101.63.2000119.9
93S23.3Very low23Very low115 Ų115140 Ų14080%0.80477%0.773SS**  -150.299.5115.447.50000109.9S95S93-S95 PolarHBondContact O-N 3.23Å
94N20.1Very low23.2Very low160 Ų160142.9 Ų142.986%0.85678%0.775SS**  trans-71.8104.2160.2-86.1-19000108
95S24.9Very low23.3Very low102 Ų102138.6 Ų138.671%0.71378%0.775SS**  trans-170.7101.7146.653.70000110.9S93S93-S95 PolarHBondContact O-N 3.23Å
96Q17.5Very low23.6Very low187 Ų187137.1 Ų137.187%0.87477%0.774SS**  trans-70140.7140.2-84-171.3-53.500107.7
97P23.6Very low23.7Very low113 Ų113136.2 Ų136.273%0.73478%0.777SS**  -129141.790.237.1-26.2000110.6
98A17.8Very low24Very low82 Ų82139.3 Ų139.368%0.67879%0.785SS**  49.692.473.300000113.6
99L24.4Very low24.3Very low174 Ų174140 Ų14091%0.91179%0.785SS**  trans173.2113.1137.9-91.7161000111.4
100D21.6Very low24.2Very low144 Ų144140.3 Ų140.377%0.7778%0.781SS**  trans-49.3159.7139.7-118.3-20.2000109.4
101P33.7Very low24.5Very low95 Ų95136.8 Ų136.862%0.61778%0.781SS**  cis-160.1179.740.433.6-6.4000118.7
102F23.5Very low23.9Very low186 Ų186138 Ų13882%0.81678%0.782SS**  trans84.1117145.2-73.7-55.7000123.7
103I24.9Very low24.2Very low152 Ų152136.2 Ų136.278%0.77978%0.78SS**  trans110.8104.6137.7-64.8159.8000118.1
104F24.1Very low24.4Very low186 Ų186135.8 Ų135.882%0.81678%0.777SS**  trans-59.8123151.7-99.6-103.3000110.9
105G22.2Very low24.7Very low73 Ų73134.3 Ų134.375%0.75377%0.769SS**  trans-119.8107163.900000109.5
106V29.5Very low25.1Very low119 Ų119135.1 Ų135.172%0.72178%0.775SS**  trans-92.1117.8164-165.20000106.8F108V106-F108 PolarHBondContact O-N 3.23Å
107S22.5Very low25.7Very low107 Ų107134 Ų13475%0.74877%0.77SS**  trans-61.9112.8-178.148.20000112.3
108F28.6Very low25.9Very low197 Ų197134 Ų13486%0.86476%0.763SS**  trans-91.3114.4151.8-77.6-84.4000107.5V106 E110V106-F108 PolarHBondContact O-N 3.23Å; F108-E110 PolarHBondContact O-N 2.89Å; F108-E110 VanDerWaalsContact O-N 3.15Å
109T27.1Very low26.5Very low131 Ų131135.3 Ų135.380%0.80476%0.759SS**  trans-69.6103.5164.148.20000107.7S111T109-S111 PolarHBondContact O-N 3.39Å
110E24.1Very low26.7Very low176 Ų176130.9 Ų130.982%0.82275%0.747SS**  trans-55.1116.2163.2-90.2176.1138.400109.8F108F108-E110 PolarHBondContact O-N 2.89Å; F108-E110 VanDerWaalsContact O-N 3.15Å
111S25.4Very low26.9Very low120 Ų120129.2 Ų129.284%0.83974%0.737SS**  trans-96.9112.8154.436.40000108.6T109T109-S111 PolarHBondContact O-N 3.39Å
112N23.8Very low26.7Very low136 Ų136131 Ų13173%0.72774%0.738SS**  trans-62.5155.7-178.1-80.8-44.5000114.6
113S25.6Very low27Very low105 Ų105129 Ų12973%0.73474%0.735SS**  trans90.1108.7145.176.60000120.3
114S27Very low27Very low106 Ų106125.8 Ų125.874%0.74173%0.726SS**  trans35.687.7131.960.30000118.9
115N26.7Very low27.1Very low129 Ų129124.8 Ų124.869%0.6972%0.721SS**  trans-162.657.3146.7-102.3-17.5000111.4Q117N115-Q117 PolarHBondContact O-N 3.23Å
116S34.1Very low27.2Very low120 Ų120128.7 Ų128.784%0.83972%0.721SS**THydrogen-bonded Turntrans-73.119.4-177.460.60000115.4
117Q29.3Very low27.2Very low164 Ų164131.7 Ų131.777%0.76673%0.727SS**THydrogen-bonded Turntrans-111.5-11178.1-151.5175.9-1.700113.4N115N115-Q117 PolarHBondContact O-N 3.23Å
118L28.2Very low27.3Very low111 Ų111130.7 Ų130.758%0.58172%0.72SS**SBendtrans-90.6-26.2178.2-85.9162.5000114A120 L121 Q122L118-A120 PolarHBondContact O-N 2.95Å; L118-L121 PolarHBondContact O-N 3.21Å; L118-Q122 PolarHBondContact O-N 3.41Å
119D31.3Very low27.1Very low111 Ų111128.2 Ų128.259%0.59472%0.716SS**Hα-helixtrans-73.3-28.9-175.8-65.8-23.5000113.6L121D119-L121 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 3.32Å
120A28.5Very low27.1Very low81 Ų81127.9 Ų127.967%0.66972%0.719SS**Hα-helixtrans-72.6-26.7175.800000112.7L118L118-A120 PolarHBondContact O-N 2.95Å
121L25.6Very low27.3Very low108 Ų108127.9 Ų127.957%0.56572%0.724SS**Hα-helixtrans-82.7-26.9177.7-81.7163.2000112.4L118 D119 S124 K125L118-L121 PolarHBondContact O-N 3.21Å; D119-L121 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 3.32Å; L121-S124 PolarHBondContact O-N 3.2Å; L121-S124 PolarHBondContact O-OG 3.29Å; L121-K125 PolarHBondContact O-N 3.35Å
122Q28.3Very low27.1Very low133 Ų133125.9 Ų125.962%0.62172%0.722SS**Hα-helixtrans-69.9-35.2178-93.7-171.7-5.800113.6L118 S124 K125 M126L118-Q122 PolarHBondContact O-N 3.41Å; Q122-S124 PolarHBondContact O-N 3.5Å; Q122-K125 PolarHBondContact O-N 2.83Å; Q122-K125 VanDerWaalsContact O-N 3.13Å; Q122-M126 PolarHBondContact O-N 2.96Å
123L29.7Very low27.1Very low145 Ų145125.1 Ų125.176%0.75973%0.727SS**Hα-helixtrans-66.2-27.2174.4-72.5170.2000112.6
124S25.3Very low27Very low83 Ų83125.6 Ų125.658%0.5873%0.726SS**Hα-helixtrans-80.2-14175.173.50000114.3L121 Q122L121-S124 PolarHBondContact O-N 3.2Å; L121-S124 PolarHBondContact O-OG 3.29Å; Q122-S124 PolarHBondContact O-N 3.5Å
125K25.7Very low26.8Very low166 Ų166128.4 Ų128.472%0.72273%0.733SS**Hα-helixtrans-104.2-9.4-176.3-113.4176.8179.81790115L121 Q122L121-K125 PolarHBondContact O-N 3.35Å; Q122-K125 PolarHBondContact O-N 2.83Å; Q122-K125 VanDerWaalsContact O-N 3.13Å
126M24.8Very low26.7Very low154 Ų154127.9 Ų127.976%0.75974%0.739SS**THydrogen-bonded Turntrans-86.4-7.5-180-71.1-15781.100115.3Q122Q122-M126 PolarHBondContact O-N 2.96Å
127H30.4Very low26.1Very low183 Ų183126.8 Ų126.885%0.84773%0.731SS**THydrogen-bonded Turntrans-98.52.2-179.9-79-66.2000115.9
128S24.1Very low25.9Very low85 Ų85124.8 Ų124.859%0.59473%0.733SS**SBendtrans-107.7-2.3-179.465.80000116.7
129N25Very low25.9Very low145 Ų145126.9 Ų126.978%0.77574%0.744SS**  trans-12724-172.1-77.320.5000116.3L131N129-L131 VanDerWaalsContact C-N 3.33Å
130S26.5Very low25.6Very low124 Ų124129.8 Ų129.887%0.86775%0.754SS**  trans-10052.5165.1-170.10000111
131L27.3Very low25.5Very low176 Ų176133.2 Ų133.292%0.92176%0.761SS**  trans-105.793.9168.7-16375.1000107.1N129N129-L131 VanDerWaalsContact C-N 3.33Å
132G21.3Very low25.5Very low79 Ų79136.9 Ų136.981%0.81477%0.772SS**  trans123.876.2170.800000115.4
133S23.9Very low25.4Very low119 Ų119139.1 Ų139.183%0.83278%0.783SS**  trans-154128.6139.8-176.90000109.7
134T24.3Very low25.3Very low115 Ų115141.8 Ų141.871%0.70678%0.784SS**  trans-67.8146.3-179.4470000113
135N22.5Very low25.5Very low165 Ų165145.6 Ų145.688%0.88280%0.797SS**  trans75.482.4160.7-52.9-18.7000118
136S24.7Very low25.5Very low119 Ų119146.2 Ų146.283%0.83280%0.8SS**  trans-128.1132.9146.460.30000109.1
137S21.5Very low25.9Very low96 Ų96142.2 Ų142.267%0.67179%0.786SS**  trans-47148.8-176.848.50000114L139S137-L139 PolarHBondContact O-N 3.35Å
138P25.3Very low26.3Very low123 Ų123139.8 Ų139.880%0.79979%0.789SS**  trans-56.7110.7170.924.3-31000108.2E140P138-E140 VanDerWaalsContact C-N 3.3Å; P138-E140 PolarHBondContact O-N 2.92Å
139L28Very low26.8Very low155 Ų155137.8 Ų137.881%0.81278%0.775SS**  trans-68.996.6172.8-158.779.4000106S137 N141S137-L139 PolarHBondContact O-N 3.35Å; L139-N141 PolarHBondContact O-N 2.89Å
140E25.7Very low27.4Very low172 Ų172136 Ų13680%0.80477%0.771SS**  trans-49.3119.5170.1-71.4-170.6149.700109.3P138 K142P138-E140 VanDerWaalsContact C-N 3.3Å; P138-E140 PolarHBondContact O-N 2.92Å; E140-K142 PolarHBondContact O-N 3.23Å
141N25.9Very low28.2Very low153 Ų153134.4 Ų134.482%0.81875%0.753SS**SBendtrans2.480163.6-64.2-29.9000116.3L139L139-N141 PolarHBondContact O-N 2.89Å
142K25.6Very low28.9Very low185 Ų185128.7 Ų128.780%0.80473%0.728SS**  trans-128.873.7160.4-76.8-164.4179.3-178.90109.6E140E140-K142 PolarHBondContact O-N 3.23Å
143E26.7Very low29.9Very low179 Ų179126.6 Ų126.684%0.83670%0.701SS**  trans-168.220.2151.8-115.6170.3-16400115.8L145E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.03Å; E143-L145 VanDerWaalsContact O-N 3.13Å
144Y27.7Very low30.6Very low202 Ų202126 Ų12679%0.79269%0.692SS**  trans-81.790.7154.9-74.7-79.7000107.5F146Y144-F146 PolarHBondContact O-N 2.83Å
145L28Very low31.6Very low162 Ų162125.7 Ų125.785%0.84869%0.685SS**  trans-54.486.1151.5-87.5146.8000106.5E143 P147E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.03Å; E143-L145 VanDerWaalsContact O-N 3.13Å; L145-P147 WeakPolarHBondContact O-CD 3.2Å; L145-P147 VanDerWaalsContact O-N 3.09Å
146F27.3Very low32.7Very low179 Ų179120.4 Ų120.479%0.78566%0.656SS**  trans-49.1120.2162.6-86.2-90000105.8Y144 S148Y144-F146 PolarHBondContact O-N 2.83Å; F146-S148 PolarHBondContact O-N 2.69Å
147P31.5Very low33.8Very low71 Ų71120.9 Ų120.946%0.46164%0.644SS.*  trans-57.6122.3171.125-31.6000105.9L145 S149L145-P147 WeakPolarHBondContact O-CD 3.2Å; L145-P147 VanDerWaalsContact O-N 3.09Å; P147-S149 CarbonylContact O-C 3.32Å; P147-S149 PolarHBondContact O-N 3.29Å
148S39.8Very low34.9Very low131 Ų131121.4 Ų121.492%0.91664%0.638SS**SBendtrans-59.2-5-177.841.20000113.2F146F146-S148 PolarHBondContact O-N 2.69Å
149S34.7Very low35.8Very low43 Ų43122 Ų12230%0.30163%0.625SS.*SBendtrans-141.7139.8155700000110.6P147 L151 S152P147-S149 CarbonylContact O-C 3.32Å; P147-S149 PolarHBondContact O-N 3.29Å; S149-L151 PolarHBondContact O-N 3.28Å; S149-L151 VanDerWaalsContact O-N 3.08Å; S149-S152 PolarHBondContact O-N 3.34Å; S149-S152 PolarHBondContact O-OG 3.25Å; S149-S152 WeakPolarHBondContact OG-CB 3.49Å; S149-S152 PolarHBondContact OG-N 3.38Å; S149-S152 PolarHBondContact OG-OG 3.29Å; S149-S152 VanDerWaalsContact OG-OG 3.1Å
150P37.7Very low36.8Very low107 Ų107118.7 Ų118.770%0.69561%0.608SS**G310 helixtrans-55.9-27.3171.420.2-30.3000111.9S153 I156P150-S153 PolarHBondContact O-OG 3.18Å; P150-I156 WeakPolarHBondContact O-CD1 3.42Å
151L43Very low37.4Very low92 Ų92113.1 Ų113.148%0.48259%0.589SS.*G310 helixtrans-75.3-16.8177.4-69.7164.1000115.1S149 S153 I156 M210S149-L151 PolarHBondContact O-N 3.28Å; S149-L151 VanDerWaalsContact O-N 3.08Å; L151-S153 VanDerWaalsContact C-N 3.3Å; L151-I156 HydrophobicContact CD2-CD1 4.21Å; L151-I156 HydrophobicContact CD2-CG2 4.34Å; L151-M210 HydrophobicContact CD1-CE 4.17Å
152S41.5Very low37.9Very low56 Ų56112 Ų11239%0.39258%0.576SS.*G310 helixtrans-86.6-0.4177.162.20000113.3S149 T154S149-S152 PolarHBondContact O-N 3.34Å; S149-S152 PolarHBondContact O-OG 3.25Å; S149-S152 WeakPolarHBondContact OG-CB 3.49Å; S149-S152 PolarHBondContact OG-N 3.38Å; S149-S152 PolarHBondContact OG-OG 3.29Å; S149-S152 VanDerWaalsContact OG-OG 3.1Å; S152-T154 PolarHBondContact O-N 2.8Å
153S42.1Very low38.8Very low35 Ų35106.6 Ų106.625%0.24556%0.559CS.*SBendtrans-64.3128.8173.871.10000109.4P150 L151 L155 I156P150-S153 PolarHBondContact O-OG 3.18Å; L151-S153 VanDerWaalsContact C-N 3.3Å; S153-L155 PolarHBondContact O-N 3.5Å; S153-I156 PolarHBondContact O-N 3.46Å
154T39.8Very low39.7Very low106 Ų106103 Ų10365%0.6555%0.553SS**Hα-helixtrans-48.8-26.2176-50.20000112.5S152 K157 L158S152-T154 PolarHBondContact O-N 2.8Å; T154-K157 PolarHBondContact O-N 2.81Å; T154-L158 HydrophobicContact CG2-CD1 4.45Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.35Å
155L43.5Very low40.1Very low108 Ų108100.2 Ų100.257%0.56555%0.551SS**Hα-helixtrans-61.3-40.4174.4-72.5168.2000113.8S153 L158 Y159S153-L155 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 2.81Å; L155-Y159 PolarHBondContact O-N 2.77Å
156I47.5Very low40Very low54 Ų5497.4 Ų97.428%0.27754%0.544SS..Hα-helixtrans-72.5-36.1-179.9-70.2166000110.9P150 L151 S153 L158 Y159 L160P150-I156 WeakPolarHBondContact O-CD1 3.42Å; L151-I156 HydrophobicContact CD2-CD1 4.21Å; L151-I156 HydrophobicContact CD2-CG2 4.34Å; S153-I156 PolarHBondContact O-N 3.46Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 PolarHBondContact O-N 3.41Å; I156-Y159 PolarHBondContact O-N 3.32Å; I156-L160 HydrophobicContact CG2-CD1 4.02Å; I156-L160 HydrophobicContact CG2-CG 4.45Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 3.21Å
157K47.8Very low40.1Very low130 Ų13093.3 Ų93.357%0.56554%0.538SS*.Hα-helixtrans-60.8-41.1170.6-70.4-177.1179.4179.50111.4T154 S161T154-K157 PolarHBondContact O-N 2.81Å; K157-S161 WeakPolarHBondContact O-CB 3.39Å; K157-S161 PolarHBondContact O-N 3.09Å; K157-S161 VanDerWaalsContact O-N 3.08Å; K157-S161 PolarHBondContact O-OG 3.25Å
158L43.1Very low40.2Very low106 Ų10695.9 Ų95.956%0.55555%0.554SS**Hα-helixtrans-67.7-38175.9-76.4166.9000112.6T154 L155 I156 S161 K162T154-L158 HydrophobicContact CG2-CD1 4.45Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.35Å; L155-L158 PolarHBondContact O-N 2.81Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 PolarHBondContact O-N 3.41Å; L158-S161 VanDerWaalsContact CA-OG 3.28Å; L158-S161 WeakPolarHBondContact CA-OG 3.5Å; L158-S161 PolarHBondContact O-OG 3.05Å; L158-K162 PolarHBondContact O-N 3.34Å
159Y43.8Very low39.6Very low135 Ų13596 Ų9653%0.52955%0.549SS..Hα-helixtrans-67.5-47.6176.2-177-100.5000112L155 I156 S161 K162 V163L155-Y159 PolarHBondContact O-N 2.77Å; I156-Y159 PolarHBondContact O-N 3.32Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.39Å; Y159-K162 PolarHBondContact O-N 3.41Å; Y159-K162 VanDerWaalsContact O-N 3.11Å; Y159-V163 HydrophobicContact CD1-CG2 3.96Å; Y159-V163 HydrophobicContact CE1-CG2 3.52Å; Y159-V163 HydrophobicContact CE2-CG2 4.12Å; Y159-V163 HydrophobicContact CG-CG2 4.43Å; Y159-V163 WeakPolarHBondContact O-CG2 3.46Å; Y159-V163 PolarHBondContact O-N 3.45Å
160L49Very low39.3Very low86 Ų86100.9 Ų100.945%0.4557%0.568SS.*Hα-helixtrans-62.1-37.8177.7-73.8169.7000112.4I156 S164I156-L160 HydrophobicContact CG2-CD1 4.02Å; I156-L160 HydrophobicContact CG2-CG 4.45Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 3.21Å; L160-S164 WeakPolarHBondContact O-CB 3.35Å; L160-S164 PolarHBondContact O-N 2.78Å; L160-S164 PolarHBondContact O-OG 3.39Å
161S39.8Very low38.9Very low56 Ų56102.4 Ų102.439%0.39258%0.575SS.*Hα-helixtrans-67.7-35.2174.443.20000112.3K157 L158 Y159 L165K157-S161 WeakPolarHBondContact O-CB 3.39Å; K157-S161 PolarHBondContact O-N 3.09Å; K157-S161 VanDerWaalsContact O-N 3.08Å; K157-S161 PolarHBondContact O-OG 3.25Å; L158-S161 VanDerWaalsContact CA-OG 3.28Å; L158-S161 WeakPolarHBondContact CA-OG 3.5Å; L158-S161 PolarHBondContact O-OG 3.05Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.39Å; S161-L165 WeakPolarHBondContact O-CD1 3.38Å; S161-L165 PolarHBondContact O-N 2.84Å
162K34.9Very low38.1Very low128 Ų128104.8 Ų104.856%0.55759%0.594SS**Hα-helixtrans-70.9-42.3171.9-90.6-164.1171.8-172.70113.9L158 Y159 S164 L165 C166L158-K162 PolarHBondContact O-N 3.34Å; Y159-K162 PolarHBondContact O-N 3.41Å; Y159-K162 VanDerWaalsContact O-N 3.11Å; K162-S164 PolarHBondContact O-N 2.81Å; K162-L165 CarbonylContact O-C 3.6Å; K162-L165 WeakPolarHBondContact O-CA 3.49Å; K162-L165 PolarHBondContact O-N 3.34Å; K162-C166 PolarHBondContact O-N 3.1Å
163V45.4Very low37.4Very low73 Ų73105.3 Ų105.344%0.44261%0.608SS.*Hα-helixtrans-61-35.7175.8174.30000110.6Y159 L165 C166Y159-V163 HydrophobicContact CD1-CG2 3.96Å; Y159-V163 HydrophobicContact CE1-CG2 3.52Å; Y159-V163 HydrophobicContact CE2-CG2 4.12Å; Y159-V163 HydrophobicContact CG-CG2 4.43Å; Y159-V163 WeakPolarHBondContact O-CG2 3.46Å; Y159-V163 PolarHBondContact O-N 3.45Å; V163-L165 PolarHBondContact O-N 3.44Å; V163-C166 PolarHBondContact O-N 3.01Å
164S46.2Very low36.5Very low102 Ų102110.7 Ų110.771%0.71363%0.634SS**Hα-helixtrans-67.1-22.3174.2-560000113.5L160 K162L160-S164 WeakPolarHBondContact O-CB 3.35Å; L160-S164 PolarHBondContact O-N 2.78Å; L160-S164 PolarHBondContact O-OG 3.39Å; K162-S164 PolarHBondContact O-N 2.81Å
165L35.2Very low35.8Very low145 Ų145112.8 Ų112.876%0.75964%0.641SS**Hα-helixtrans-93.9-22.1176-93.789.3000113.8S161 K162 V163 S167S161-L165 WeakPolarHBondContact O-CD1 3.38Å; S161-L165 PolarHBondContact O-N 2.84Å; K162-L165 CarbonylContact O-C 3.6Å; K162-L165 WeakPolarHBondContact O-CA 3.49Å; K162-L165 PolarHBondContact O-N 3.34Å; V163-L165 PolarHBondContact O-N 3.44Å; L165-S167 PolarHBondContact O-N 3.34Å; L165-S167 VanDerWaalsContact O-N 3.09Å
166C25.9Very low35.1Very low103 Ų103115.7 Ų115.770%0.69666%0.656SS**  trans-8284.1176.1-76.50000110.5K162 V163K162-C166 PolarHBondContact O-N 3.1Å; V163-C166 PolarHBondContact O-N 3.01Å
167S29.5Very low34Very low93 Ų93120.9 Ų120.965%0.6569%0.685SS**PPolyproline II helixtrans-58.1141.4159.849.80000110.2L165 T169L165-S167 PolarHBondContact O-N 3.34Å; L165-S167 VanDerWaalsContact O-N 3.09Å; S167-T169 PolarHBondContact O-N 3.38Å
168P33.5Very low33Very low125 Ų125119.7 Ų119.781%0.81269%0.693SS**PPolyproline II helixtrans-60.7121.9-174.724-32.3000110.6E170P168-E170 PolarHBondContact O-N 2.95Å
169T28.2Very low32.1Very low132 Ų132121.5 Ų121.581%0.8170%0.703SS**PPolyproline II helixtrans-65.4116.1166.333.70000108.9S167 T171S167-T169 PolarHBondContact O-N 3.38Å; T169-T171 PolarHBondContact O-N 3.33Å
170E28.3Very low31.1Very low147 Ų147122.3 Ų122.369%0.68772%0.716SS**  trans-52.4112.9172.1-65.5173.4158.400110.2P168 T172P168-E170 PolarHBondContact O-N 2.95Å; E170-T172 PolarHBondContact O-N 2.96Å
171T29.3Very low29.9Very low138 Ų138127 Ų12785%0.84774%0.736SS**  trans-79.296.8165.943.30000108.7T169T169-T171 PolarHBondContact O-N 3.33Å
172T25.7Very low29.1Very low143 Ų143133.3 Ų133.388%0.87776%0.76SS**  trans-55.6125.2154.8-21.60000108.5E170E170-T172 PolarHBondContact O-N 2.96Å
173G26.5Very low28.6Very low67 Ų67133.6 Ų133.669%0.69177%0.766SS**  trans-173.480.2-178.800000113.8
174D23.6Very low27.4Very low147 Ų147137.2 Ų137.279%0.78678%0.783SS**  trans22.2123.5144.4-57.6-34.9000121.7
175N24.9Very low26.3Very low151 Ų151140.1 Ų140.181%0.80778%0.783SS**  trans31.8102.7136.3-73.9-20.2000118.6
176L28.9Very low25.7Very low168 Ų168141 Ų14188%0.8878%0.783SS**  trans-129.598.4143.4-72.2176.5000109.6S178L176-S178 PolarHBondContact O-N 3.35Å
177N23.5Very low25.6Very low163 Ų163143 Ų14387%0.87279%0.787SS**  trans-60.5113154.5-93.3-17.6000108.3
178S27.7Very low25.3Very low106 Ų106144 Ų14474%0.74179%0.785SS**  trans-152.899.6148.757.50000107.8L176L176-S178 PolarHBondContact O-N 3.35Å
179D23.4Very low25Very low144 Ų144145.8 Ų145.877%0.7779%0.787SS**  trans-55.1147.4162.9-72.8-47.5000110.6
180N24.5Very low25Very low151 Ų151149.1 Ų149.181%0.80779%0.786SS**  trans78.585.6169.2-53.7-29000116.5
181E23.6Very low24.9Very low184 Ų184147.3 Ų147.386%0.8679%0.787SS**  -165126.8111.9-102.5173.3-163.500109.4L183E181-L183 VanDerWaalsContact C-N 3.25Å; E181-L183 PolarHBondContact O-N 3.35Å
182Q22.5Very low24.9Very low190 Ų190147.1 Ų147.189%0.88878%0.781SS**  trans-62.782.9174.2-81172.2-24.300110.3N184Q182-N184 PolarHBondContact O-N 3.3Å
183L23.5Very low25Very low133 Ų133144.4 Ų144.470%0.69676%0.76SS**  trans-80102.2158.3-84.9163.7000107.5E181 F185E181-L183 VanDerWaalsContact C-N 3.25Å; E181-L183 PolarHBondContact O-N 3.35Å; L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 HydrophobicContact CB-CE2 4.37Å; L183-F185 WeakPolarHBondContact O-CD2 3.36Å; L183-F185 PolarHBondContact O-N 3.24Å
184N20.4Very low25.3Very low150 Ų150148.8 Ų148.880%0.80277%0.767SS**  trans-55.993.9168.4-80.1-47.5000109.5Q182 H186Q182-N184 PolarHBondContact O-N 3.3Å; N184-H186 VanDerWaalsContact C-N 3.33Å; N184-H186 PolarHBondContact O-N 3.49Å
185F23.3Very low25.5Very low162 Ų162145.5 Ų145.571%0.71177%0.767SS**  trans-70.788.4171.1-76-76.1000109.7L183 N187 N188L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 HydrophobicContact CB-CE2 4.37Å; L183-F185 WeakPolarHBondContact O-CD2 3.36Å; L183-F185 PolarHBondContact O-N 3.24Å; F185-N187 PolarHBondContact O-N 3.35Å; F185-N188 VanDerWaalsContact CD1-ND2 3.28Å; F185-N188 WeakPolarHBondContact CD1-ND2 3.25Å
186H23Very low25.8Very low164 Ų164142 Ų14276%0.75975%0.748SS**  trans-64.4110.8161-115.1-85.7000108.9N184N184-H186 VanDerWaalsContact C-N 3.33Å; N184-H186 PolarHBondContact O-N 3.49Å
187N23.7Very low25.9Very low144 Ų144138.1 Ų138.177%0.7773%0.733SS**  trans49.962.8159.1-65.9-20.3000117.8F185 L189F185-N187 PolarHBondContact O-N 3.35Å; N187-L189 PolarHBondContact O-N 2.64Å
188N23.9Very low26.1Very low114 Ų114133 Ų13361%0.6172%0.718SS**  trans-90.281.3163-82.1-19.8000111.5F185F185-N188 VanDerWaalsContact CD1-ND2 3.28Å; F185-N188 WeakPolarHBondContact CD1-ND2 3.25Å
189L27.3Very low26.2Very low163 Ų163131.7 Ų131.785%0.85371%0.709SS**  trans-105.612.5157-107.8151000112N187 P191N187-L189 PolarHBondContact O-N 2.64Å; L189-P191 VanDerWaalsContact C-CD 3.5Å; L189-P191 WeakPolarHBondContact O-CD 3.29Å
190Y26.5Very low26.4Very low202 Ų202128.8 Ų128.879%0.79269%0.693SS**SBendtrans-114.378.6168.4-69-81000109.8N192Y190-N192 PolarHBondContact O-N 3.29Å
191P27.7Very low26.6Very low109 Ų109126.6 Ų126.671%0.70868%0.678SS**  trans-72.5120.4171.330-28.6000108.7L189L189-P191 VanDerWaalsContact C-CD 3.5Å; L189-P191 WeakPolarHBondContact O-CD 3.29Å
192N27.8Very low27Very low135 Ų135122.1 Ų122.172%0.72266%0.664SS**  trans68.161.4151.1-64.7-22.1000119.4Y190 I194Y190-N192 PolarHBondContact O-N 3.29Å; N192-I194 VanDerWaalsContact C-N 3.35Å
193L29.9Very low27.3Very low85 Ų85115.8 Ų115.845%0.44564%0.638SS.*  trans-939.3149.6-75.8166.5000113.1G195 L196 Q201L193-G195 PolarHBondContact O-N 3.31Å; L193-L196 HydrophobicContact CD2-CD1 3.71Å; L193-L196 PolarHBondContact O-N 2.83Å; L193-Q201 HydrophobicContact CD1-CG 4.44Å
194I31.7Very low27.6Very low160 Ų160115 Ų11582%0.82163%0.634SS**THydrogen-bonded Turntrans-68.5-1.3-176.3-83144.1000114.5N192N192-I194 VanDerWaalsContact C-N 3.35Å
195G27.1Very low28Very low77 Ų77115.9 Ų115.979%0.79463%0.633SS**THydrogen-bonded Turntrans-98.8-6.8175.300000116L193L193-G195 PolarHBondContact O-N 3.31Å
196L32.9Very low28.3Very low79 Ų79111.1 Ų111.141%0.41462%0.619SS.*SBendtrans-95.9127.7-179-79.9152.7000109.6L193 G198 L200L193-L196 HydrophobicContact CD2-CD1 3.71Å; L193-L196 PolarHBondContact O-N 2.83Å; L196-G198 PolarHBondContact O-N 2.74Å; L196-L200 HydrophobicContact CD2-CB 4.19Å; L196-L200 HydrophobicContact CD2-CD1 3.59Å
197P30.9Very low28.6Very low86 Ų86105.9 Ų105.956%0.55860%0.596SS**  trans-55.8132.517322.6-30000107.9S199 L200P197-S199 PolarHBondContact O-N 3.49Å; P197-L200 PolarHBondContact O-N 3.04Å
198G26.6Very low28.9Very low54 Ų54103.2 Ų103.256%0.55760%0.595SS**THydrogen-bonded Turntrans-54.4-8.2-167.400000116.2L196 L200L196-G198 PolarHBondContact O-N 2.74Å; G198-L200 VanDerWaalsContact C-N 3.31Å; G198-L200 PolarHBondContact O-N 2.88Å
199S29.9Very low29.1Very low80 Ų80102.7 Ų102.756%0.55960%0.6SS**THydrogen-bonded Turntrans-66.1-24.2169.256.50000114.3P197 T202 V203P197-S199 PolarHBondContact O-N 3.49Å; S199-T202 PolarHBondContact O-OG1 3.08Å; S199-V203 WeakPolarHBondContact O-CG2 3.4Å
200L28.3Very low29.1Very low82 Ų82100 Ų10043%0.42958%0.584SS.*THydrogen-bonded Turntrans-90.1-21.5-178.6-83.2160.5000114.2L196 P197 G198 V203L196-L200 HydrophobicContact CD2-CB 4.19Å; L196-L200 HydrophobicContact CD2-CD1 3.59Å; P197-L200 PolarHBondContact O-N 3.04Å; G198-L200 VanDerWaalsContact C-N 3.31Å; G198-L200 PolarHBondContact O-N 2.88Å; L200-V203 PolarHBondContact O-N 3.38Å
201Q29.1Very low29.2Very low105 Ų10596 Ų9649%0.49158%0.581SS.*Hα-helixtrans-73.6-36.6-178.3-133.7173.75.700112L193 V203L193-Q201 HydrophobicContact CD1-CG 4.44Å; Q201-V203 VanDerWaalsContact C-N 3.32Å
202T30.1Very low29.1Very low91 Ų9198.4 Ų98.456%0.55858%0.584SS**Hα-helixtrans-73-25.8173.244.60000112.8S199 S206S199-T202 PolarHBondContact O-OG1 3.08Å; T202-S206 PolarHBondContact O-N 3.07Å; T202-S206 PolarHBondContact O-OG 2.74Å
203V28.8Very low29.3Very low57 Ų5797.5 Ų97.535%0.34559%0.586SS.*Hα-helixtrans-70.7-33.2-179.4170.60000111.6S199 L200 Q201 S206 L207S199-V203 WeakPolarHBondContact O-CG2 3.4Å; L200-V203 PolarHBondContact O-N 3.38Å; Q201-V203 VanDerWaalsContact C-N 3.32Å; V203-S206 CarbonylContact O-C 3.47Å; V203-S206 PolarHBondContact O-N 2.99Å; V203-L207 HydrophobicContact CG1-CD1 3.51Å; V203-L207 HydrophobicContact CG1-CG 3.73Å; V203-L207 WeakPolarHBondContact O-CA 3.39Å; V203-L207 WeakPolarHBondContact O-CB 3.47Å; V203-L207 WeakPolarHBondContact O-CD1 3.24Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.68Å
204L31.1Very low29.2Very low117 Ų11798.7 Ų98.761%0.61360%0.597SS**Hα-helixtrans-65.5-44.6178.6-97.3139.2000113.9S206 L207 A208L204-S206 VanDerWaalsContact C-N 3.3Å; L204-S206 PolarHBondContact O-N 2.85Å; L204-L207 PolarHBondContact O-N 3.11Å; L204-A208 PolarHBondContact O-N 2.92Å
205H28.8Very low28.9Very low168 Ų168101 Ų10178%0.77860%0.595SS**Hα-helixtrans-68.1-32174.8-93.1-69.2000112.2
206S29.7Very low28.9Very low61 Ų61104.4 Ų104.443%0.42759%0.59SS.*Hα-helixtrans-74.3-33.7174.1-56.10000112.6T202 V203 L204 S209 M210T202-S206 PolarHBondContact O-N 3.07Å; T202-S206 PolarHBondContact O-OG 2.74Å; V203-S206 CarbonylContact O-C 3.47Å; V203-S206 PolarHBondContact O-N 2.99Å; L204-S206 VanDerWaalsContact C-N 3.3Å; L204-S206 PolarHBondContact O-N 2.85Å; S206-S209 CarbonylContact O-C 3.56Å; S206-S209 PolarHBondContact O-N 3.47Å; S206-S209 VanDerWaalsContact O-N 3.16Å; S206-M210 VanDerWaalsContact O-CB 3.31Å; S206-M210 WeakPolarHBondContact O-CB 3.28Å; S206-M210 VanDerWaalsContact O-CG 3.28Å; S206-M210 WeakPolarHBondContact O-CG 3.43Å; S206-M210 PolarHBondContact O-N 3.02Å
207L29.4Very low28.4Very low54 Ų54108.7 Ų108.728%0.28361%0.606SS.*Hα-helixtrans-64.8-40.8179.9-85.9166.1000111.8V203 L204 S209 M210V203-L207 HydrophobicContact CG1-CD1 3.51Å; V203-L207 HydrophobicContact CG1-CG 3.73Å; V203-L207 WeakPolarHBondContact O-CA 3.39Å; V203-L207 WeakPolarHBondContact O-CB 3.47Å; V203-L207 WeakPolarHBondContact O-CD1 3.24Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.68Å; L204-L207 PolarHBondContact O-N 3.11Å; L207-S209 PolarHBondContact O-N 3.49Å; L207-M210 PolarHBondContact O-N 3.42Å; L207-M210 VanDerWaalsContact O-N 3.17Å
208A29.3Very low28.2Very low89 Ų89111.5 Ų111.574%0.73662%0.615SS**Hα-helixtrans-61.1-30.4175.400000112.1L204L204-A208 PolarHBondContact O-N 2.92Å
209S27.4Very low28Very low103 Ų103111.8 Ų111.872%0.7262%0.618SS**Hα-helixtrans-89.6-13.6177.3-172.80000114.2S206 L207S206-S209 CarbonylContact O-C 3.56Å; S206-S209 PolarHBondContact O-N 3.47Å; S206-S209 VanDerWaalsContact O-N 3.16Å; L207-S209 PolarHBondContact O-N 3.49Å
210M27.9Very low27.7Very low106 Ų106114.9 Ų114.952%0.52263%0.625SS.*Hα-helixtrans-99.3-8.9-169.8-88.7176.224.400115L151 S206 L207 M212L151-M210 HydrophobicContact CD1-CE 4.17Å; S206-M210 VanDerWaalsContact O-CB 3.31Å; S206-M210 WeakPolarHBondContact O-CB 3.28Å; S206-M210 VanDerWaalsContact O-CG 3.28Å; S206-M210 WeakPolarHBondContact O-CG 3.43Å; S206-M210 PolarHBondContact O-N 3.02Å; L207-M210 PolarHBondContact O-N 3.42Å; L207-M210 VanDerWaalsContact O-N 3.17Å; M210-M212 PolarHBondContact O-N 3.3Å
211V29.2Very low27.5Very low118 Ų118118.3 Ų118.372%0.71564%0.644SS**  trans-74.783.3175.9-174.60000109.1
212M25.4Very low27.3Very low159 Ų159117.2 Ų117.278%0.78364%0.644SS**  trans-59.8123.8157.2-84.1-88.2-170.800107.5M210 T214M210-M212 PolarHBondContact O-N 3.3Å; M212-T214 PolarHBondContact O-N 2.82Å
213P31.4Very low27.5Very low117 Ų117119.9 Ų119.976%0.7666%0.66SS**  trans-63.6105.6178.523.1-30.1000108.8R215P213-R215 PolarHBondContact O-N 3.33Å; P213-R215 VanDerWaalsContact O-N 3.09Å
214T28.5Very low27.5Very low109 Ų109122.1 Ų122.167%0.66968%0.675SS**  trans-68.8108.2173.5-48.60000106.7M212 H216M212-T214 PolarHBondContact O-N 2.82Å; T214-H216 VanDerWaalsContact C-N 3.31Å; T214-H216 PolarHBondContact O-N 2.93Å
215R24.8Very low27.6Very low208 Ų208124.5 Ų124.579%0.78569%0.688SS**  trans-62.299.7164-70.5-173-179.2-178.50.2106.3P213 F217P213-R215 PolarHBondContact O-N 3.33Å; P213-R215 VanDerWaalsContact O-N 3.09Å; R215-F217 HydrophobicContact CB-CD2 3.91Å; R215-F217 HydrophobicContact CB-CE2 3.87Å; R215-F217 HydrophobicContact CG-CE2 4.5Å; R215-F217 PolarHBondContact O-N 3.29Å
216H26.6Very low27.6Very low149 Ų149124 Ų12469%0.6969%0.686SS**  trans-6686.7167.9-82.1-75000108T214 I218T214-H216 VanDerWaalsContact C-N 3.31Å; T214-H216 PolarHBondContact O-N 2.93Å; H216-I218 PolarHBondContact O-N 2.89Å
217F24Very low27.8Very low170 Ų170126.9 Ų126.975%0.74670%0.695SS**  trans-76.696.2157.4-78.5-82.8000106.4R215 G219R215-F217 HydrophobicContact CB-CD2 3.91Å; R215-F217 HydrophobicContact CB-CE2 3.87Å; R215-F217 HydrophobicContact CG-CE2 4.5Å; R215-F217 PolarHBondContact O-N 3.29Å; F217-G219 PolarHBondContact O-N 2.99Å
218I25.8Very low27.7Very low145 Ų145131.7 Ų131.774%0.74471%0.714SS**  trans-7490.1160.6-60.9171.5000105.2H216 M220H216-I218 PolarHBondContact O-N 2.89Å; I218-M220 HydrophobicContact CG2-CG 4.26Å; I218-M220 PolarHBondContact O-N 3.35Å
219G21.9Very low28.2Very low60 Ų60132 Ų13262%0.61971%0.711SS**  trans-69.696.4167.100000108.5F217 N221F217-G219 PolarHBondContact O-N 2.99Å; G219-N221 PolarHBondContact O-N 3.48Å; G219-N221 VanDerWaalsContact O-N 3.13Å
220M24.9Very low28.4Very low144 Ų144130.9 Ų130.971%0.70970%0.703SS**  trans-73.596.9162.2-78.5179.666.600107.5I218 T222I218-M220 HydrophobicContact CG2-CG 4.26Å; I218-M220 PolarHBondContact O-N 3.35Å; M220-T222 VanDerWaalsContact C-N 3.25Å; M220-T222 HydrophobicContact CE-CG2 4.32Å; M220-T222 PolarHBondContact O-N 2.96Å
221N22.4Very low28.6Very low155 Ų155131.6 Ų131.683%0.82971%0.709SS**  trans-70.786.5165.2-72.8-5000108.1G219G219-N221 PolarHBondContact O-N 3.48Å; G219-N221 VanDerWaalsContact O-N 3.13Å
222T25.3Very low28.9Very low82 Ų82131.2 Ų131.250%0.50370%0.702SS.*  trans-118.594.7165.855.60000108.1M220 T224M220-T222 VanDerWaalsContact C-N 3.25Å; M220-T222 HydrophobicContact CE-CG2 4.32Å; M220-T222 PolarHBondContact O-N 2.96Å; T222-T224 PolarHBondContact O-N 3.39Å
223T35.2Very low29.1Very low146 Ų146128.2 Ų128.290%0.89669%0.693SS**  trans-78.710.4175.440.20000113.5
224T28.5Very low29.1Very low105 Ų105132.9 Ų132.964%0.64470%0.695SS**SBendtrans-134.8114.3176.252.10000109.9T222 E226T222-T224 PolarHBondContact O-N 3.39Å; T224-E226 PolarHBondContact O-N 3.4Å
225N33.3Very low29.3Very low166 Ų166133.1 Ų133.189%0.88869%0.692SS**  trans-71.343.7-179.1-95.1-17.8000113.5
226E27.7Very low29.5Very low159 Ų159126.2 Ų126.274%0.74368%0.676SS**  trans-122.376170.3-70.8-166.6-179.600109.6T224 K228T224-E226 PolarHBondContact O-N 3.4Å; E226-K228 PolarHBondContact O-N 2.97Å
227I34Very low29.6Very low121 Ų121123.7 Ų123.762%0.62168%0.675SS**  trans-66.589.2166-58.5174.1000106.7S229 L232I227-S229 PolarHBondContact O-N 3.48Å; I227-L232 HydrophobicContact CG2-CD1 3.67Å
228K29.2Very low30.2Very low154 Ų154122 Ų12267%0.6767%0.673SS**  trans-57.4111.6160.2-75-178.3179.6175.70106.6E226 S230 N231E226-K228 PolarHBondContact O-N 2.97Å; K228-S230 PolarHBondContact O-N 3.43Å; K228-N231 PolarHBondContact O-N 2.73Å
229S39.2Very low30.3Very low97 Ų97118.4 Ų118.468%0.67866%0.655SS**THydrogen-bonded Turntrans-57.9-2.6-177.752.60000114.7I227 N231I227-S229 PolarHBondContact O-N 3.48Å; S229-N231 VanDerWaalsContact C-N 3.35Å; S229-N231 PolarHBondContact O-N 2.73Å
230S31.4Very low30.6Very low78 Ų78124.3 Ų124.355%0.54567%0.667SS.*THydrogen-bonded Turntrans-71.6-21.5175.560.80000114.5K228 T233K228-S230 PolarHBondContact O-N 3.43Å; S230-T233 PolarHBondContact O-OG1 3.2Å
231N31Very low30.7Very low122 Ų122125.3 Ų125.365%0.65268%0.675SS**THydrogen-bonded Turntrans-91.6-18177.5-71.9-23.5000113.4K228 S229K228-N231 PolarHBondContact O-N 2.73Å; S229-N231 VanDerWaalsContact C-N 3.35Å; S229-N231 PolarHBondContact O-N 2.73Å
232L36.4Very low31Very low110 Ų110123.3 Ų123.358%0.57666%0.664SS**Hα-helixtrans-73.1-30178.9-123.198.1000112.6I227 R234 L235 S236I227-L232 HydrophobicContact CG2-CD1 3.67Å; L232-R234 VanDerWaalsContact C-N 3.29Å; L232-R234 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 3.34Å; L232-S236 PolarHBondContact O-N 3.13Å
233T28.7Very low30.9Very low95 Ų95127.4 Ų127.458%0.58367%0.674SS**Hα-helixtrans-66.8-28.6-179.828.90000112.8S230 S236S230-T233 PolarHBondContact O-OG1 3.2Å; T233-S236 PolarHBondContact O-OG 3.05Å
234R32.3Very low30.4Very low215 Ų215126.2 Ų126.281%0.81166%0.661SS**Hα-helixtrans-73.4-24.9175-76.8-171179.4-177.91.4114.2L232 S237L232-R234 VanDerWaalsContact C-N 3.29Å; L232-R234 PolarHBondContact O-N 3.33Å; R234-S237 PolarHBondContact O-OG 3.18Å
235L32.1Very low30.2Very low114 Ų114129.5 Ų129.560%0.59766%0.663SS**Hα-helixtrans-95.9-21.7178.1-74.5165000112.8L232 S237 L238 N239L232-L235 PolarHBondContact O-N 3.34Å; L235-S237 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 2.75Å; L235-N239 PolarHBondContact O-N 2.93Å
236S28.8Very low29.7Very low64 Ų64130.6 Ų130.645%0.44866%0.662SS.*Hα-helixtrans-60.5-30.1175.267.50000113.5L232 T233 L238 N239L232-S236 PolarHBondContact O-N 3.13Å; T233-S236 PolarHBondContact O-OG 3.05Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 2.65Å; S236-N239 PolarHBondContact O-N 3.09Å
237S29.8Very low29.6Very low95 Ų95131.1 Ų131.166%0.66467%0.669SS**THydrogen-bonded Turntrans-71.4-17.4178.561.40000114.3R234 L235R234-S237 PolarHBondContact O-OG 3.18Å; L235-S237 PolarHBondContact O-N 3.48Å
238L35.6Very low29.1Very low135 Ų135134.5 Ų134.571%0.70768%0.68SS**THydrogen-bonded Turntrans-95.5-10.7173.6-70173.3000112.8L235 S236L235-L238 PolarHBondContact O-N 2.75Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 2.65Å
239N29.5Very low28.9Very low70 Ų70131 Ų13137%0.37467%0.674SS.*  trans-101.81.3-168-92.9-5.2000115.6L235 S236 N241 L242L235-N239 PolarHBondContact O-N 2.93Å; S236-N239 PolarHBondContact O-N 3.09Å; N239-N241 PolarHBondContact O-N 3.26Å; N239-L242 PolarHBondContact O-N 3.18Å; N239-L242 VanDerWaalsContact O-N 3.09Å
240E26.6Very low28.1Very low184 Ų184134.9 Ų134.986%0.8668%0.682SS**THydrogen-bonded Turntrans-61.5-20.1178.6-72.4-158.1163.400113.5
241N28.1Very low27.8Very low165 Ų165141.3 Ų141.388%0.88270%0.695SS**THydrogen-bonded Turntrans-106.50.3175.1-70.2-36000115.2N239N239-N241 PolarHBondContact O-N 3.26Å
242L27.2Very low27.5Very low113 Ų113140.8 Ų140.859%0.59270%0.701SS**  trans-130.290.8179.8-97.9137.1000109.4N239 I244N239-L242 PolarHBondContact O-N 3.18Å; N239-L242 VanDerWaalsContact O-N 3.09Å; L242-I244 VanDerWaalsContact C-N 3.25Å; L242-I244 HydrophobicContact CB-CG1 4.39Å; L242-I244 PolarHBondContact O-N 2.98Å
243K24.2Very low27Very low168 Ų168142.2 Ų142.273%0.7371%0.71SS**  trans-66.386.3166-86178.8166-168.80109.4Y245K243-Y245 HydrophobicContact CB-CD2 4.32Å; K243-Y245 HydrophobicContact CB-CE2 3.86Å; K243-Y245 HydrophobicContact CD-CE2 4.07Å; K243-Y245 WeakPolarHBondContact CD-OH 3.13Å; K243-Y245 HydrophobicContact CG-CE2 4.43Å; K243-Y245 PolarHBondContact NZ-OH 2.88Å; K243-Y245 PolarHBondContact O-N 3.17Å
244I25.5Very low26.8Very low121 Ų121140.9 Ų140.962%0.62172%0.715SS**  trans-81.7100.2169.7-57.1171.9000106.8L242L242-I244 VanDerWaalsContact C-N 3.25Å; L242-I244 HydrophobicContact CB-CG1 4.39Å; L242-I244 PolarHBondContact O-N 2.98Å
245Y22.9Very low26.6Very low173 Ų173136.5 Ų136.568%0.67872%0.717SS**  trans-80.6129.1172.1-68.1-79.3000110.1K243 L247K243-Y245 HydrophobicContact CB-CD2 4.32Å; K243-Y245 HydrophobicContact CB-CE2 3.86Å; K243-Y245 HydrophobicContact CD-CE2 4.07Å; K243-Y245 WeakPolarHBondContact CD-OH 3.13Å; K243-Y245 HydrophobicContact CG-CE2 4.43Å; K243-Y245 PolarHBondContact NZ-OH 2.88Å; K243-Y245 PolarHBondContact O-N 3.17Å; Y245-L247 PolarHBondContact O-N 3.27Å
246H23.1Very low26.2Very low190 Ų190135.8 Ų135.888%0.8873%0.728SS**  trans-62.2115.5176.2-109.1-93.6000110.5K248H246-K248 PolarHBondContact O-N 3.29Å
247L26.8Very low26Very low170 Ų170143 Ų14389%0.8975%0.746SS**  trans-78.7116.9167.5-157.674.5000108.3Y245 S249Y245-L247 PolarHBondContact O-N 3.27Å; L247-S249 PolarHBondContact O-N 3.07Å
248K23.2Very low25.8Very low192 Ų192144.8 Ų144.884%0.83575%0.749SS**  trans-65.3101.9178.1-130.9176.1-177.5-178.70108.4H246 H250H246-K248 PolarHBondContact O-N 3.29Å; K248-H250 PolarHBondContact O-N 3.46Å
249S24.4Very low25.3Very low80 Ų80144.3 Ų144.356%0.55975%0.752SS**  trans-72.3112.1173.263.60000108.7L247 Y251L247-S249 PolarHBondContact O-N 3.07Å; S249-Y251 PolarHBondContact O-N 3.44Å; S249-Y251 WeakPolarHBondContact OG-CE2 3.4Å
250H23.5Very low25.1Very low179 Ų179148.6 Ų148.683%0.82978%0.775SS**  trans-65.6104.1164.3-79.8-88.8000107.8K248 S252K248-H250 PolarHBondContact O-N 3.46Å; H250-S252 PolarHBondContact O-N 3.11Å
251Y23.4Very low25Very low212 Ų212143 Ų14383%0.83177%0.766SS**  trans-68108.1163.5-78.3-93.6000107.1S249S249-Y251 PolarHBondContact O-N 3.44Å; S249-Y251 WeakPolarHBondContact OG-CE2 3.4Å
252S25.3Very low24.8Very low111 Ų111141.9 Ų141.978%0.77676%0.76SS**  trans-106.3110.1160.156.60000107.4H250H250-S252 PolarHBondContact O-N 3.11Å
253D26.6Very low24.7Very low141 Ų141148.4 Ų148.475%0.75478%0.778SS**  trans-51.9147.1173-70.1-43.5000112.2
254G24.8Very low24.6Very low67 Ų67144.2 Ų144.269%0.69177%0.771SS**SBendtrans70.9107144.800000118.2
255S27.4Very low24.5Very low122 Ų122143.8 Ų143.885%0.85378%0.778SS**  trans61.469.6146.7700000118.6
256A24Very low24.5Very low100 Ų100141 Ų14183%0.82678%0.783SS**  trans-156.368.7147.700000109.5N258A256-N258 PolarHBondContact O-N 3.17Å
257Y23.9Very low24.5Very low214 Ų214137.5 Ų137.584%0.83978%0.775SS**  trans-61.4124.1159.1-84.4-87.7000108.2
258N25.2Very low24.5Very low133 Ų133138.7 Ų138.771%0.71178%0.776SS**SBendtrans55.799.3150.9-56.9-27.1000116.6A256A256-N258 PolarHBondContact O-N 3.17Å
259T25.3Very low24.5Very low126 Ų126135 Ų13577%0.77377%0.774SS**  176.9136.6110.822.20000109.3
260D26.1Very low24.5Very low160 Ų160137.3 Ų137.386%0.85679%0.79SS**  trans62.2111.7156.8-54.6-28.8000118.9
261G24.4Very low24.5Very low66 Ų66132.9 Ų132.968%0.6878%0.779SS**  trans127.690149.400000114.8
262N24.4Very low24.8Very low141 Ų141131.1 Ų131.175%0.75478%0.783SS**  161.475.5121.4-84.4-12000110.2S264N262-S264 PolarHBondContact O-N 3.02Å
263Y23.9Very low25Very low250 Ų250132.8 Ų132.898%0.9878%0.782SS**  trans-85.968.8141.8-73.3-83.2000107
264S22.3Very low25Very low81 Ų81132.8 Ų132.857%0.56678%0.782SS**  trans-117.1108.2174.8-66.50000108.1N262N262-S264 PolarHBondContact O-N 3.02Å
265S23.6Very low25.1Very low111 Ų111136.7 Ų136.778%0.77679%0.787SS**  trans-6.2120.8148.452.40000116.3
266C23.9Very low25.2Very low115 Ų115137.4 Ų137.478%0.77778%0.78SS**  trans-169.4102.2146.8-920000106.3
267T22.6Very low25.2Very low117 Ų117136.2 Ų136.272%0.71877%0.766SS**  77.5111.786.555.10000113.4
268E26.1Very low25.5Very low195 Ų195133.4 Ų133.491%0.91177%0.765SS**  trans27.996.4148.1-69.6174.1162.300116.9
269S23Very low25.5Very low114 Ų114128.7 Ų128.780%0.79775%0.748SS**  trans-126.291.4150.3-58.80000107.2S271S269-S271 PolarHBondContact O-N 3.29Å
270S25.2Very low25.6Very low128 Ų128133.3 Ų133.390%0.89575%0.753SS**  trans-56.2106.3166.252.80000109.7
271S24.3Very low25.9Very low86 Ų86134.6 Ų134.660%0.60175%0.747SS**  trans-138.2133.2148580000106.3S269 L273S269-S271 PolarHBondContact O-N 3.29Å; S271-L273 PolarHBondContact O-N 3.16Å
272I29.2Very low26.3Very low175 Ų175134.4 Ų134.490%0.89774%0.735SS**  trans-61.284.1-177.8-63.7156.6000107.4
273L29.9Very low26.7Very low147 Ų147133.8 Ų133.877%0.7773%0.732SS**  trans-101.7103.7167.2-89.1156.9000104S271 D275S271-L273 PolarHBondContact O-N 3.16Å; L273-D275 PolarHBondContact O-N 3.28Å; L273-D275 VanDerWaalsContact O-N 3.13Å
274D25.9Very low27.1Very low141 Ų141126.8 Ų126.875%0.75471%0.711SS**  trans-38.7124.1164.5-75.4-44000107.9I276D274-I276 PolarHBondContact O-N 3.15Å
275D25.8Very low27.7Very low149 Ų149129.8 Ų129.880%0.79771%0.711SS**  trans-59.273.9-169.8-1571.3000110.5L273 S277L273-D275 PolarHBondContact O-N 3.28Å; L273-D275 VanDerWaalsContact O-N 3.13Å; D275-S277 PolarHBondContact O-N 3.42Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å
276I29.3Very low28.5Very low136 Ų136130.3 Ų130.370%0.69771%0.705SS**  trans-77.864.3157.5-48.1173.8000104.6D274 N278D274-I276 PolarHBondContact O-N 3.15Å; I276-N278 PolarHBondContact O-N 3.03Å
277S25.9Very low29.3Very low75 Ų75128.8 Ų128.852%0.52469%0.688SS.*  trans-51.395.9155.8145.70000105.5D275 G279D275-S277 PolarHBondContact O-N 3.42Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å; S277-G279 PolarHBondContact O-N 2.92Å; S277-G279 WeakPolarHBondContact OG-CA 3.4Å; S277-G279 PolarHBondContact OG-N 3.29Å
278N29.5Very low30.2Very low156 Ų156128 Ų12883%0.83468%0.677SS**  trans-63.215.3153.5-76.7-10.8000110.9I276 Y280I276-N278 PolarHBondContact O-N 3.03Å; N278-Y280 PolarHBondContact O-N 3.49Å
279G25.1Very low30.9Very low34 Ų34121 Ų12135%0.35165%0.652SS.*  trans-55.4126.6166.900000108.8S277 Y281S277-G279 PolarHBondContact O-N 2.92Å; S277-G279 WeakPolarHBondContact OG-CA 3.4Å; S277-G279 PolarHBondContact OG-N 3.29Å; G279-Y281 PolarHBondContact O-N 2.94Å
280Y26.8Very low31.8Very low222 Ų222119.6 Ų119.687%0.87164%0.638SS**  trans0.5110.5157.4-54.9-87.9000112.2N278 S282N278-Y280 PolarHBondContact O-N 3.49Å; Y280-S282 PolarHBondContact O-N 3.41Å
281Y32.1Very low32.8Very low187 Ų187119.9 Ų119.973%0.73362%0.623SS**  trans-60.683.2156.4-73.5-78000106G279 Y285G279-Y281 PolarHBondContact O-N 2.94Å; Y281-Y285 AromaticContact CD1-CD1 3.79Å; Y281-Y285 HydrophobicContact CD1-CD1 3.79Å; Y281-Y285 AromaticContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CE1 4.29Å; Y281-Y285 HydrophobicContact CD1-CE2 4.22Å; Y281-Y285 AromaticContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CD1-CG 3.47Å; Y281-Y285 VanDerWaalsContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CE1-CD1 4.05Å; Y281-Y285 AromaticContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CE1 4.06Å; Y281-Y285 AromaticContact CE1-CE2 3.83Å; Y281-Y285 HydrophobicContact CE1-CE2 3.83Å; Y281-Y285 AromaticContact CE1-CG 3.92Å; Y281-Y285 HydrophobicContact CE1-CG 3.92Å; Y281-Y285 AromaticContact CE1-CZ 3.96Å
282S32.6Very low33.9Very low62 Ų62122.6 Ų122.643%0.43462%0.624SS.*  trans-57.2154.3171.458.50000107.2Y280 N284 Y285Y280-S282 PolarHBondContact O-N 3.41Å; S282-N284 PolarHBondContact O-N 2.71Å; S282-N284 PolarHBondContact OG-ND2 3.3Å; S282-Y285 PolarHBondContact O-N 3.42Å
283D34.1Very low34.6Very low128 Ų128120.2 Ų120.268%0.68461%0.611SS**THydrogen-bonded Turntrans-45.7-21.6178.3-61.4-32.6000113.4Y285 L286 I287D283-Y285 VanDerWaalsContact C-N 3.3Å; D283-Y285 PolarHBondContact O-N 2.89Å; D283-L286 PolarHBondContact O-N 3.49Å; D283-I287 WeakPolarHBondContact O-CG1 3.45Å; D283-I287 PolarHBondContact O-N 2.95Å; D283-I287 VanDerWaalsContact O-N 3.1Å
284N32.7Very low35.5Very low103 Ų103120.5 Ų120.555%0.55161%0.606SS**Hα-helixtrans-56.1-30.9170.9-64.5-35.1000115S282 I287 E288S282-N284 PolarHBondContact O-N 2.71Å; S282-N284 PolarHBondContact OG-ND2 3.3Å; N284-I287 PolarHBondContact O-N 3.27Å; N284-E288 VanDerWaalsContact O-CB 3.28Å; N284-E288 WeakPolarHBondContact O-CB 3.48Å; N284-E288 WeakPolarHBondContact O-CG 3.28Å; N284-E288 PolarHBondContact O-N 2.97Å
285Y33.5Very low36.5Very low144 Ų144121.4 Ų121.457%0.56560%0.603SS**Hα-helixtrans-71.9-37.3178.4-166-94.2000112Y281 S282 D283 E288 A289Y281-Y285 AromaticContact CD1-CD1 3.79Å; Y281-Y285 HydrophobicContact CD1-CD1 3.79Å; Y281-Y285 AromaticContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CE1 4.29Å; Y281-Y285 HydrophobicContact CD1-CE2 4.22Å; Y281-Y285 AromaticContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CD1-CG 3.47Å; Y281-Y285 VanDerWaalsContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CE1-CD1 4.05Å; Y281-Y285 AromaticContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CE1 4.06Å; Y281-Y285 AromaticContact CE1-CE2 3.83Å; Y281-Y285 HydrophobicContact CE1-CE2 3.83Å; Y281-Y285 AromaticContact CE1-CG 3.92Å; Y281-Y285 HydrophobicContact CE1-CG 3.92Å; Y281-Y285 AromaticContact CE1-CZ 3.96Å; S282-Y285 PolarHBondContact O-N 3.42Å; D283-Y285 VanDerWaalsContact C-N 3.3Å; D283-Y285 PolarHBondContact O-N 2.89Å; Y285-E288 PolarHBondContact O-N 3.06Å; Y285-A289 VanDerWaalsContact O-CB 3.24Å; Y285-A289 WeakPolarHBondContact O-CB 3.49Å; Y285-A289 PolarHBondContact O-N 3.25Å
286L41.4Very low37.2Very low123 Ų123116.9 Ų116.964%0.64458%0.583SS**Hα-helixtrans-66.4-40.7171.5-95.4152.1000110.7D283 A289 V290D283-L286 PolarHBondContact O-N 3.49Å; L286-A289 PolarHBondContact O-N 3.28Å; L286-V290 WeakPolarHBondContact O-CB 3.4Å; L286-V290 VanDerWaalsContact O-CG2 3.22Å; L286-V290 WeakPolarHBondContact O-CG2 3.45Å; L286-V290 PolarHBondContact O-N 2.89Å
287I40.2Very low37.9Very low83 Ų83115.5 Ų115.543%0.42657%0.573SS.*Hα-helixtrans-65.1-41.8175.4-64.2167.1000111.1D283 N284 V290 K291D283-I287 WeakPolarHBondContact O-CG1 3.45Å; D283-I287 PolarHBondContact O-N 2.95Å; D283-I287 VanDerWaalsContact O-N 3.1Å; N284-I287 PolarHBondContact O-N 3.27Å; I287-V290 PolarHBondContact O-N 2.84Å; I287-K291 HydrophobicContact CG2-CD 4.11Å; I287-K291 HydrophobicContact CG2-CG 4.43Å; I287-K291 VanDerWaalsContact O-CB 3.29Å; I287-K291 WeakPolarHBondContact O-CB 3.5Å; I287-K291 VanDerWaalsContact O-CG 3.25Å; I287-K291 WeakPolarHBondContact O-CG 3.43Å; I287-K291 PolarHBondContact O-N 3.22Å
288E41.4Very low38.6Very low101 Ų101116.4 Ų116.447%0.47258%0.575SS.*Hα-helixtrans-62.9-43.6173.3-90.1-8513600111.6N284 Y285 K291 K292N284-E288 VanDerWaalsContact O-CB 3.28Å; N284-E288 WeakPolarHBondContact O-CB 3.48Å; N284-E288 WeakPolarHBondContact O-CG 3.28Å; N284-E288 PolarHBondContact O-N 2.97Å; Y285-E288 PolarHBondContact O-N 3.06Å; E288-K291 PolarHBondContact O-N 2.98Å; E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 PolarHBondContact O-N 2.87Å
289A41.5Very low39Very low47 Ų47113 Ų11339%0.38856%0.556SS.*Hα-helixtrans-63.5-43.3176.600000111.3Y285 L286 K292 M293Y285-A289 VanDerWaalsContact O-CB 3.24Å; Y285-A289 WeakPolarHBondContact O-CB 3.49Å; Y285-A289 PolarHBondContact O-N 3.25Å; L286-A289 PolarHBondContact O-N 3.28Å; A289-K292 PolarHBondContact O-N 3.35Å; A289-M293 VanDerWaalsContact O-CB 3.28Å; A289-M293 WeakPolarHBondContact O-CB 3.42Å; A289-M293 PolarHBondContact O-N 3.33Å
290V41.6Very low39.7Very low84 Ų84115.8 Ų115.851%0.50956%0.563SS.*Hα-helixtrans-66.9-40.1174.9172.20000111.1L286 I287 M293 K294L286-V290 WeakPolarHBondContact O-CB 3.4Å; L286-V290 VanDerWaalsContact O-CG2 3.22Å; L286-V290 WeakPolarHBondContact O-CG2 3.45Å; L286-V290 PolarHBondContact O-N 2.89Å; I287-V290 PolarHBondContact O-N 2.84Å; V290-M293 PolarHBondContact O-N 2.89Å; V290-K294 WeakPolarHBondContact O-CB 3.46Å; V290-K294 PolarHBondContact O-N 3.32Å
291K45.9Very low40.3Very low135 Ų135108.3 Ų108.359%0.58754%0.538SS*.Hα-helixtrans-64.3-42.8174.2-79.4176.3-179.8176.80111.8I287 E288 K294 K295I287-K291 HydrophobicContact CG2-CD 4.11Å; I287-K291 HydrophobicContact CG2-CG 4.43Å; I287-K291 VanDerWaalsContact O-CB 3.29Å; I287-K291 WeakPolarHBondContact O-CB 3.5Å; I287-K291 VanDerWaalsContact O-CG 3.25Å; I287-K291 WeakPolarHBondContact O-CG 3.43Å; I287-K291 PolarHBondContact O-N 3.22Å; E288-K291 PolarHBondContact O-N 2.98Å; K291-K294 PolarHBondContact O-N 3.32Å; K291-K295 PolarHBondContact O-N 2.75Å
292K47.3Very low40.3Very low143 Ų143105.7 Ų105.762%0.62253%0.533SS*.Hα-helixtrans-63.7-41.6173.7-85.4-177.8178.7173.30111.4E288 A289 K294 K295 S296E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 PolarHBondContact O-N 2.87Å; A289-K292 PolarHBondContact O-N 3.35Å; K292-K294 VanDerWaalsContact C-N 3.33Å; K292-K294 PolarHBondContact O-N 2.9Å; K292-K295 WeakPolarHBondContact O-CB 3.2Å; K292-K295 PolarHBondContact O-N 2.84Å; K292-S296 PolarHBondContact O-N 3.04Å
293M44.9Very low40.1Very low124 Ų124109.8 Ų109.861%0.61154%0.539SS*.Hα-helixtrans-64.4-37.4174.5-166.2-171.478.300111.7A289 V290 K295 S296 H297A289-M293 VanDerWaalsContact O-CB 3.28Å; A289-M293 WeakPolarHBondContact O-CB 3.42Å; A289-M293 PolarHBondContact O-N 3.33Å; V290-M293 PolarHBondContact O-N 2.89Å; M293-K295 VanDerWaalsContact C-N 3.34Å; M293-K295 PolarHBondContact O-N 3.08Å; M293-S296 WeakPolarHBondContact CA-OG 3.43Å; M293-S296 PolarHBondContact O-N 2.83Å; M293-S296 PolarHBondContact O-OG 2.92Å; M293-H297 WeakPolarHBondContact O-CB 3.36Å; M293-H297 PolarHBondContact O-N 3.47Å
294K47.8Very low40.1Very low154 Ų154108.5 Ų108.567%0.6753%0.529SS*.Hα-helixtrans-65.9-37.6173.8-162.1174.5-177.2178.50111.4V290 K291 K292 H297 V298V290-K294 WeakPolarHBondContact O-CB 3.46Å; V290-K294 PolarHBondContact O-N 3.32Å; K291-K294 PolarHBondContact O-N 3.32Å; K292-K294 VanDerWaalsContact C-N 3.33Å; K292-K294 PolarHBondContact O-N 2.9Å; K294-H297 PolarHBondContact O-N 3.48Å; K294-V298 WeakPolarHBondContact O-CG2 3.48Å; K294-V298 PolarHBondContact O-N 3.42Å; K294-V298 VanDerWaalsContact O-N 3.1Å
295K46.8Very low40.2Very low159 Ų159107.7 Ų107.769%0.69153%0.528SS*.Hα-helixtrans-67.8-38.2174.8-148.2175-174.1-179.90111.9K291 K292 M293 I299K291-K295 PolarHBondContact O-N 2.75Å; K292-K295 WeakPolarHBondContact O-CB 3.2Å; K292-K295 PolarHBondContact O-N 2.84Å; M293-K295 VanDerWaalsContact C-N 3.34Å; M293-K295 PolarHBondContact O-N 3.08Å; K295-I299 WeakPolarHBondContact O-CG1 3.31Å; K295-I299 PolarHBondContact O-N 3.26Å
296S39.7Very low40.1Very low54 Ų54105.5 Ų105.538%0.37853%0.529SS..Hα-helixtrans-72.9-28.317368.50000112.9K292 M293 I299 N300K292-S296 PolarHBondContact O-N 3.04Å; M293-S296 WeakPolarHBondContact CA-OG 3.43Å; M293-S296 PolarHBondContact O-N 2.83Å; M293-S296 PolarHBondContact O-OG 2.92Å; S296-I299 WeakPolarHBondContact O-CB 3.28Å; S296-I299 PolarHBondContact O-N 3.38Å; S296-N300 WeakPolarHBondContact O-CB 3.18Å; S296-N300 PolarHBondContact O-N 3.34Å
297H44.9Very low39.8Very low107 Ų107107.1 Ų107.150%0.49553%0.531SS..Hα-helixtrans-68.1-37.6173.3-167.257.6000112M293 K294 I299 N300 N301M293-H297 WeakPolarHBondContact O-CB 3.36Å; M293-H297 PolarHBondContact O-N 3.47Å; K294-H297 PolarHBondContact O-N 3.48Å; H297-I299 VanDerWaalsContact C-N 3.28Å; H297-I299 PolarHBondContact O-N 2.85Å; H297-N300 PolarHBondContact O-N 3.07Å; H297-N301 PolarHBondContact CD2-ND2 3.39Å; H297-N301 PolarHBondContact CE1-OD1 3.42Å; H297-N301 VanDerWaalsContact CE1-OD1 3.29Å; H297-N301 PolarHBondContact NE2-ND2 2.62Å; H297-N301 VanDerWaalsContact NE2-ND2 3.14Å; H297-N301 WeakPolarHBondContact O-CB 3.42Å; H297-N301 VanDerWaalsContact O-CG 3.24Å; H297-N301 PolarHBondContact O-N 3.36Å; H297-N301 PolarHBondContact O-OD1 2.84Å
298V40.4Very low39.3Very low94 Ų94111.2 Ų111.257%0.5754%0.542SS*.Hα-helixtrans-61.2-39.7170.5174.90000111.1K294 Q302K294-V298 WeakPolarHBondContact O-CG2 3.48Å; K294-V298 PolarHBondContact O-N 3.42Å; K294-V298 VanDerWaalsContact O-N 3.1Å; V298-Q302 PolarHBondContact O-N 3.36Å
299I37.7Very low38.7Very low85 Ų85113.2 Ų113.244%0.43656%0.556SS.*Hα-helixtrans-66-47175.6-63.9164.9000110.1K295 S296 H297 N301 Q302 W303K295-I299 WeakPolarHBondContact O-CG1 3.31Å; K295-I299 PolarHBondContact O-N 3.26Å; S296-I299 WeakPolarHBondContact O-CB 3.28Å; S296-I299 PolarHBondContact O-N 3.38Å; H297-I299 VanDerWaalsContact C-N 3.28Å; H297-I299 PolarHBondContact O-N 2.85Å; I299-N301 PolarHBondContact O-N 3.44Å; I299-Q302 VanDerWaalsContact O-CB 3.31Å; I299-Q302 WeakPolarHBondContact O-CB 3.47Å; I299-Q302 PolarHBondContact O-N 2.87Å; I299-W303 PolarHBondContact O-N 3.22Å; I299-W303 VanDerWaalsContact O-N 3.14Å
300N40.8Very low38.1Very low93 Ų93117 Ų11750%0.49757%0.566SS.*Hα-helixtrans-65.3-33.4179.7-82.6-9.2000113.9S296 H297 Q302 W303 Q304S296-N300 WeakPolarHBondContact O-CB 3.18Å; S296-N300 PolarHBondContact O-N 3.34Å; H297-N300 PolarHBondContact O-N 3.07Å; N300-Q302 VanDerWaalsContact C-N 3.34Å; N300-W303 WeakPolarHBondContact O-CB 3.31Å; N300-W303 PolarHBondContact O-N 3.48Å; N300-W303 VanDerWaalsContact O-N 3.13Å; N300-Q304 PolarHBondContact O-N 3.32Å
301N38.3Very low37.5Very low64 Ų64121.3 Ų121.334%0.34258%0.58SS.*Hα-helixtrans-72.3-30.6175.2-67.2-4.7000111.5H297 I299 W303 Q304 T305H297-N301 PolarHBondContact CD2-ND2 3.39Å; H297-N301 PolarHBondContact CE1-OD1 3.42Å; H297-N301 VanDerWaalsContact CE1-OD1 3.29Å; H297-N301 PolarHBondContact NE2-ND2 2.62Å; H297-N301 VanDerWaalsContact NE2-ND2 3.14Å; H297-N301 WeakPolarHBondContact O-CB 3.42Å; H297-N301 VanDerWaalsContact O-CG 3.24Å; H297-N301 PolarHBondContact O-N 3.36Å; H297-N301 PolarHBondContact O-OD1 2.84Å; I299-N301 PolarHBondContact O-N 3.44Å; N301-W303 VanDerWaalsContact C-N 3.3Å; N301-W303 PolarHBondContact O-N 3.42Å; N301-Q304 PolarHBondContact O-N 3.37Å; N301-T305 PolarHBondContact O-N 3.15Å; N301-T305 VanDerWaalsContact O-N 3.14Å; N301-T305 PolarHBondContact O-OG1 3.22Å
302Q33.2Very low36.5Very low133 Ų133124 Ų12462%0.62160%0.595SS**Hα-helixtrans-62.8-35.4166.8-107.6180-6.100111.9V298 I299 N300 T305 V306V298-Q302 PolarHBondContact O-N 3.36Å; I299-Q302 VanDerWaalsContact O-CB 3.31Å; I299-Q302 WeakPolarHBondContact O-CB 3.47Å; I299-Q302 PolarHBondContact O-N 2.87Å; N300-Q302 VanDerWaalsContact C-N 3.34Å; Q302-T305 PolarHBondContact O-OG1 3.44Å; Q302-V306 WeakPolarHBondContact O-CG2 3.1Å; Q302-V306 PolarHBondContact O-N 2.9Å
303W27Very low35.4Very low147 Ų147121.6 Ų121.656%0.55760%0.596SS**Hα-helixtrans-72.2-34.8176.1-70.1105000113.5I299 N300 N301 V306 K307I299-W303 PolarHBondContact O-N 3.22Å; I299-W303 VanDerWaalsContact O-N 3.14Å; N300-W303 WeakPolarHBondContact O-CB 3.31Å; N300-W303 PolarHBondContact O-N 3.48Å; N300-W303 VanDerWaalsContact O-N 3.13Å; N301-W303 VanDerWaalsContact C-N 3.3Å; N301-W303 PolarHBondContact O-N 3.42Å; W303-V306 PolarHBondContact O-N 3.36Å; W303-K307 PolarHBondContact O-N 3.25Å
304Q34.8Very low34.5Very low101 Ų101120.8 Ų120.847%0.47260%0.603SS.*Hα-helixtrans-70.6-35.9175.7-77.9-179-11.100112.3N300 N301 V306 K307 Y308N300-Q304 PolarHBondContact O-N 3.32Å; N301-Q304 PolarHBondContact O-N 3.37Å; Q304-V306 VanDerWaalsContact C-N 3.27Å; Q304-V306 PolarHBondContact O-N 3.26Å; Q304-K307 PolarHBondContact O-N 2.9Å; Q304-Y308 PolarHBondContact O-N 3.26Å; Q304-Y308 VanDerWaalsContact O-N 3.12Å
305T34.2Very low33.3Very low86 Ų86122 Ų12253%0.52861%0.611SS.*Hα-helixtrans-67.6-25.2175.318.20000113.3N301 Q302 N309N301-T305 PolarHBondContact O-N 3.15Å; N301-T305 VanDerWaalsContact O-N 3.14Å; N301-T305 PolarHBondContact O-OG1 3.22Å; Q302-T305 PolarHBondContact O-OG1 3.44Å; T305-N309 PolarHBondContact O-ND2 3.11Å
306V33.3Very low32.2Very low99 Ų99121.5 Ų121.560%0.661%0.614SS**Hα-helixtrans-75.3-34.8172.8177.30000111.5Q302 W303 Q304Q302-V306 WeakPolarHBondContact O-CG2 3.1Å; Q302-V306 PolarHBondContact O-N 2.9Å; W303-V306 PolarHBondContact O-N 3.36Å; Q304-V306 VanDerWaalsContact C-N 3.27Å; Q304-V306 PolarHBondContact O-N 3.26Å
307K34.4Very low31.3Very low157 Ų157122.8 Ų122.868%0.68362%0.623SS**Hα-helixtrans-75.1-34.8179.2-75-167.6175.1-173.80113.9W303 Q304 N309 Q310W303-K307 PolarHBondContact O-N 3.25Å; Q304-K307 PolarHBondContact O-N 2.9Å; K307-N309 VanDerWaalsContact C-N 3.31Å; K307-N309 PolarHBondContact O-N 3.09Å; K307-Q310 PolarHBondContact O-N 3.29Å
308Y30.5Very low30.4Very low169 Ų169125.5 Ų125.566%0.66364%0.641SS**Hα-helixtrans-73.6-19.4-178.1-90.9-77.9000114.2Q304 Q310Q304-Y308 PolarHBondContact O-N 3.26Å; Q304-Y308 VanDerWaalsContact O-N 3.12Å; Y308-Q310 VanDerWaalsContact C-N 3.31Å; Y308-Q310 PolarHBondContact O-N 3.1Å
309N26.9Very low29.6Very low143 Ų143129.6 Ų129.677%0.76565%0.651SS**THydrogen-bonded Turntrans-85.27.7176.8-75.4-49.8000114.7T305 K307T305-N309 PolarHBondContact O-ND2 3.11Å; K307-N309 VanDerWaalsContact C-N 3.31Å; K307-N309 PolarHBondContact O-N 3.09Å
310Q30.1Very low28.7Very low126 Ų126131 Ų13159%0.58967%0.669SS**THydrogen-bonded Turntrans-103.7-4.9178.4-154.7167.58.100114.5K307 Y308K307-Q310 PolarHBondContact O-N 3.29Å; Y308-Q310 VanDerWaalsContact C-N 3.31Å; Y308-Q310 PolarHBondContact O-N 3.1Å
311H29.6Very low28Very low174 Ų174133.3 Ų133.381%0.80668%0.681SS**SBendtrans-104.412.2-174.2-81-70.8000116.1
312Q24.5Very low27.1Very low191 Ų191133 Ų13389%0.89369%0.693SS**SBendtrans-124.982.7165.5-72.8-170.54.200111.2
313S24.3Very low26.8Very low94 Ų94134.8 Ų134.866%0.65770%0.701SS**  trans-178.3109.9138.653.50000110.1
314S24.7Very low26.6Very low107 Ų107132.4 Ų132.475%0.74871%0.706SS**  trans5.8125.6137.850.10000117.4
315Q23Very low26Very low178 Ų178136.5 Ų136.583%0.83272%0.723SS**  trans43.583.1155.7-79.6178.1-22.900115.9S317Q315-S317 PolarHBondContact O-N 3Å; Q315-S317 VanDerWaalsContact O-N 3.13Å
316I23.6Very low25.7Very low150 Ų150141.2 Ų141.277%0.76974%0.744SS**  trans-76.892.4142.2-59.7173.1000105.3L318I316-L318 VanDerWaalsContact C-N 3.32Å; I316-L318 PolarHBondContact O-N 2.87Å
317S20.7Very low25Very low81 Ų81142.6 Ų142.657%0.56675%0.752SS**  trans-52.499.8162.7-53.50000107.4Q315 F319Q315-S317 PolarHBondContact O-N 3Å; Q315-S317 VanDerWaalsContact O-N 3.13Å; S317-F319 VanDerWaalsContact C-N 3.33Å; S317-F319 PolarHBondContact O-N 3Å
318L25.8Very low24.5Very low164 Ų164140.4 Ų140.486%0.85976%0.757SS**  trans-65.4106.8163.3-150.585000104.7I316 S320I316-L318 VanDerWaalsContact C-N 3.32Å; I316-L318 PolarHBondContact O-N 2.87Å; L318-S320 PolarHBondContact O-N 2.84Å
319F23.4Very low24.1Very low180 Ų180136.2 Ų136.279%0.78976%0.757SS**  trans-41.5123.9-178.5-79.4-94000110.7S317 D321S317-F319 VanDerWaalsContact C-N 3.33Å; S317-F319 PolarHBondContact O-N 3Å; F319-D321 PolarHBondContact O-N 2.71Å
320S20.2Very low24Very low115 Ų115138.7 Ų138.780%0.80476%0.757SS**  trans-6684.8164.7163.10000108.3L318 G322L318-S320 PolarHBondContact O-N 2.84Å; S320-G322 PolarHBondContact O-N 2.96Å
321D24.9Very low23.7Very low141 Ų141140 Ų14075%0.75477%0.766SS**  trans-90.289.6158.9-80.4-15.6000107.9F319 H323F319-D321 PolarHBondContact O-N 2.71Å; D321-H323 PolarHBondContact O-N 2.83Å
322G20.8Very low23.6Very low58 Ų58137.9 Ų137.960%0.59876%0.757SS**  trans-70.9114.7170.700000110.7S320S320-G322 PolarHBondContact O-N 2.96Å
323H26.6Very low23.6Very low169 Ų169136.5 Ų136.578%0.78275%0.75SS**  trans-149.791.2155.9-72.4-61.5000107.7D321D321-H323 PolarHBondContact O-N 2.83Å
324S21.9Very low23.9Very low97 Ų97138.2 Ų138.268%0.67876%0.756SS**  67.2112.7103.468.10000116.4
325K22.7Very low23.8Very low188 Ų188139.6 Ų139.682%0.81776%0.755SS**  trans59.497.8142.3-62.8179.4179.2179.80118.8
326L26.9Very low23.9Very low184 Ų184138.6 Ų138.696%0.96375%0.75SS**  trans-13875.1133.9-80.1177.4000109.8
327T20.4Very low23.9Very low128 Ų128138.8 Ų138.879%0.78575%0.748SS**  trans-68.4121.2149.238.70000108.5
328S23.1Very low24.2Very low111 Ų111142.4 Ų142.478%0.77676%0.755SS**  trans157.2111.5132.8-178.80000112.2
329A22.1Very low24.4Very low81 Ų81143 Ų14367%0.66975%0.753SS**  trans37.8105.3135.900000119.2
330Y25.2Very low24.4Very low196 Ų196138.4 Ų138.477%0.76976%0.757SS**  trans-148.171.3133.9-133.2-98.6000109.7H332Y330-H332 VanDerWaalsContact C-N 3.28Å; Y330-H332 HydrophobicContact CD1-CB 3.83Å; Y330-H332 HydrophobicContact CE1-CB 3.83Å; Y330-H332 AromaticContact CE1-CD2 3.39Å; Y330-H332 WeakPolarHBondContact CE1-CD2 3.39Å; Y330-H332 AromaticContact CE1-CG 3.86Å; Y330-H332 AromaticContact CZ-CD2 3.85Å; Y330-H332 PolarHBondContact O-N 3.29Å
331I23.2Very low24.8Very low152 Ų152141.7 Ų141.778%0.77976%0.757SS**  trans-77.688.9157.7-61.4173.7000104.9
332H26.7Very low24.7Very low130 Ų130140.8 Ų140.860%0.60276%0.76SS**  trans-93103.5165.8-141.5-88.6000108Y330 V334Y330-H332 VanDerWaalsContact C-N 3.28Å; Y330-H332 HydrophobicContact CD1-CB 3.83Å; Y330-H332 HydrophobicContact CE1-CB 3.83Å; Y330-H332 AromaticContact CE1-CD2 3.39Å; Y330-H332 WeakPolarHBondContact CE1-CD2 3.39Å; Y330-H332 AromaticContact CE1-CG 3.86Å; Y330-H332 AromaticContact CZ-CD2 3.85Å; Y330-H332 PolarHBondContact O-N 3.29Å; H332-V334 PolarHBondContact O-N 2.83Å
333H25.6Very low24.9Very low163 Ų163146.5 Ų146.576%0.75577%0.771SS**  trans-52.4118.6162.2-74-97.4000109.1
334V31.2Very low24.9Very low130 Ų130146.5 Ų146.579%0.78877%0.771SS**  trans-12099.4158.8179.60000106.8H332H332-V334 PolarHBondContact O-N 2.83Å
335N20.8Very low25.1Very low136 Ų136151.8 Ų151.873%0.72778%0.781SS**  trans-68.5157.5162.7-114.3-22.2000109.9
336H26.7Very low25.3Very low156 Ų156151 Ų15172%0.72279%0.785SS**  trans99.6100.9167-61.6-64.1000118.3
337H23.6Very low25Very low154 Ų154144.8 Ų144.871%0.71377%0.766SS**  52.9107.4116-84.554.5000117.2
338H27.2Very low25.4Very low157 Ų157146.9 Ų146.973%0.72777%0.771SS**  156123121.8-83.780.9000111.2
339H28.4Very low25.5Very low176 Ų176147.6 Ų147.682%0.81577%0.771SS**  trans51.6115.4157.4-67.5-77.2000120.9K341H339-K341 PolarHBondContact O-N 3.46Å
340G23.9Very low25.7Very low84 Ų84150.9 Ų150.987%0.86678%0.778SS**  trans-54.4128.3171.300000114
341K28.9Very low26Very low185 Ų185148.5 Ų148.580%0.80478%0.783SS**  trans-120.5119.6152.2-78.3-179.3177.9176.80107.2H339 H343H339-K341 PolarHBondContact O-N 3.46Å; K341-H343 PolarHBondContact O-CD2 2.77Å; K341-H343 PolarHBondContact O-N 3.43Å
342C23.5Very low26Very low122 Ų122151 Ų15182%0.82479%0.785SS**  trans-56123.8176.9-75.80000111
343H24.4Very low25.8Very low178 Ų178149 Ų14982%0.82479%0.791SS**  trans-105.886.6165.1-76.1-87.7000109.1K341K341-H343 PolarHBondContact O-CD2 2.77Å; K341-H343 PolarHBondContact O-N 3.43Å
344H27.4Very low25.7Very low169 Ų169146.6 Ų146.678%0.78279%0.792SS**  trans-103.181.8159.9-72.4-66.9000108.3L346H344-L346 PolarHBondContact O-N 2.79Å
345K24.9Very low25.5Very low207 Ų207147.5 Ų147.590%0.979%0.791SS**  trans-88.785.5168.2-155.2176.5-173.7-175.90107.2G347K345-G347 PolarHBondContact O-N 3.17Å
346L26.8Very low25.7Very low171 Ų171150.7 Ų150.790%0.89580%0.799SS**  trans-73.1107.9168.6-70.7169.8000107.6H344H344-L346 PolarHBondContact O-N 2.79Å
347G20.7Very low25.6Very low55 Ų55147.8 Ų147.857%0.56780%0.796SS**  trans-150.210617300000110K345K345-G347 PolarHBondContact O-N 3.17Å
348L29.4Very low25.7Very low171 Ų171147.5 Ų147.590%0.89580%0.8SS**  trans-147.977.7156.6-73.8-176.9000109.2
349T24.6Very low25.5Very low126 Ų126148.9 Ų148.977%0.77380%0.804SS**  trans-57.3147.1140.5-0.70000108.9
350N25.5Very low25.3Very low151 Ų151150.7 Ų150.781%0.80781%0.81SS**  trans103.569.6175.1-56-5.3000116
351V32.1Very low25.2Very low146 Ų146149.9 Ų149.989%0.88580%0.801SS**  trans-119.538.6150.3-164.10000109.4
352Y23.9Very low24.9Very low205 Ų205148.3 Ų148.380%0.80480%0.801SS**  trans-129.481171.8-91.2-85.1000108.2
353A23.1Very low24.9Very low88 Ų88148.3 Ų148.373%0.72780%0.798SS**  trans-161.299.3156.400000108.3
354S23.6Very low24.7Very low112 Ų112144.6 Ų144.678%0.78379%0.792SS**  trans71108.6139.7-45.70000117.5
355L26Very low24.5Very low148 Ų148143.6 Ų143.678%0.77580%0.798SS**  trans-153.5125.7134.1-102.7140.8000111.8
356K25.4Very low24.3Very low203 Ų203140.6 Ų140.688%0.88380%0.797SS**  trans-78.7158-168.8-93.4171.6165.6176.50112.9
357S24.3Very low24Very low96 Ų96137.9 Ų137.967%0.67179%0.792SS**  trans-52147.9166.461.20000114.6
358N25.5Very low23.9Very low148 Ų148140.3 Ų140.379%0.79180%0.8SS**  173.1126.2120.5-83.6-13.1000115.4
359K23.7Very low23.5Very low185 Ų185137.7 Ų137.780%0.80480%0.796SS**  trans31.4121.7139.3-62.2-160.3175.8-170.60124.1
360F23.8Very low24.3Very low215 Ų215137.3 Ų137.394%0.94380%0.796SS**  45.5131.4123.4-77.5-91.6000122.3
361G22.6Very low23.9Very low66 Ų66135.7 Ų135.768%0.6880%0.796SS**  trans139.198.2137.200000119.2
362D22.1Very low23.4Very low152 Ų152137.5 Ų137.581%0.81380%0.795SS**  66.4118.4127.4-59.4-20.9000126.1
363T22.4Very low23.3Very low123 Ų123133.1 Ų133.176%0.75580%0.795SS**  77.3120126.761.90000124.2
364S20.5Very low23.3Very low100 Ų100137.4 Ų137.470%0.69980%0.799SS**  trans50.2126.113666.90000121.7
365T23.9Very low23.2Very low148 Ų148138.4 Ų138.491%0.90880%0.796SS**  -176.414411421.60000113.1
366V20Very low23Very low144 Ų144137.7 Ų137.787%0.87379%0.793SS**  trans-74140172.5169.30000110.6
367S21.5Very low23Very low113 Ų113135.8 Ų135.879%0.7979%0.792SS**  trans-164.4128.1141.666.80000114.2
368S19Very low23Very low106 Ų106138.7 Ų138.774%0.74180%0.795SS**  trans-40.3144.4162.845.10000118.8
369S21Very low22.8Very low117 Ų117140.6 Ų140.682%0.81880%0.796SS**  178.4141.5115.534.90000112.6
370P39.7Very low23Very low118 Ų118137.6 Ų137.677%0.76680%0.798SS**  trans-102.8137.9170.435.2-26000111.3
371S18.7Very low22.9Very low116 Ų116131.9 Ų131.981%0.81179%0.785SS**  trans-167.9127.4161-79.60000113.4
372Q21.4Very low23Very low185 Ų185136.3 Ų136.386%0.86479%0.792SS**  trans89.6118.5144.2-71.2-179.5-1200122.7
373S22Very low22.9Very low113 Ų113138.9 Ų138.979%0.7980%0.796SS**  trans86.395.2143.673.70000120.1
374H22.4Very low23Very low178 Ų178137 Ų13782%0.82479%0.788SS**  -37.6127.4127-82.8-2.7000112.3
375N21.1Very low23.1Very low132 Ų132141 Ų14171%0.70679%0.793SS**  159.3122.3106.4-103.4-25000112
376N22.5Very low23.1Very low133 Ų133140.7 Ų140.771%0.71179%0.786SS**  trans42.8106.9138.4-59.9-19.9000119.7
377N26.1Very low23.3Very low163 Ų163139.7 Ų139.787%0.87278%0.78SS**  trans-131.397.2146.4-91.3-32.5000111
378H23.1Very low23.4Very low157 Ų157141.3 Ų141.373%0.72778%0.784SS**  trans13.5132.3139.4-74.9-72.3000121
379K21.8Very low23.5Very low189 Ų189140.5 Ų140.582%0.82278%0.779SS**  trans39.7110.3131.8-78.2176.7170.3174.10117
380S28.4Very low23.7Very low121 Ų121142.1 Ų142.185%0.84678%0.778SS**  -12788128.464.20000109.1L382S380-L382 PolarHBondContact O-N 3.08Å
381S20.4Very low23Very low95 Ų95143.1 Ų143.166%0.66478%0.777SS**  trans-59.7124.1156.6570000109
382L25.4Very low23.5Very low159 Ų159143.8 Ų143.883%0.83277%0.771SS**  trans-119.976.3143.5-118.3122.4000107.5S380S380-L382 PolarHBondContact O-N 3.08Å
383K20.7Very low23.7Very low207 Ų207141.6 Ų141.690%0.977%0.766SS**  trans-89.7105146.8-91-174175.4-178.50106.3
384S23.8Very low23.8Very low84 Ų84142.8 Ų142.859%0.58776%0.763SS**  trans-177.2137.5159530000107.1
385K22.7Very low23.9Very low184 Ų184139.7 Ų139.780%0.876%0.757SS**  cis172.8157.6-9.5-123.9179.1-178.7179.90103.2
386N24Very low24Very low141 Ų141139 Ų13975%0.75476%0.758SS**  trans89101.1166.4-54-13.3000114.8
387V22.8Very low24.2Very low123 Ų123138.1 Ų138.175%0.74576%0.757SS**  67.2107.566-178.80000111.9
388V25.2Very low24.1Very low146 Ų146136.4 Ų136.489%0.88575%0.753SS**  -143.1111127.3179.70000107.6
389S21.4Very low24.3Very low90 Ų90135.2 Ų135.263%0.62976%0.757SS**  trans-72144.2162.554.20000110.3
390N23.8Very low24.7Very low151 Ų151130.1 Ų130.181%0.80776%0.758SS**  trans-165.1147.5134.7-104.5-1.2000110.7
391N26.5Very low24.8Very low138 Ų138131.5 Ų131.574%0.73875%0.754SS**  trans75.2136.6179.5-65.619000116.3
392D27.6Very low25.1Very low130 Ų130135.7 Ų135.770%0.69576%0.763SS**  cis-166.3153.9-23.6-107.1-34.6000103.4
393N25.8Very low25.2Very low139 Ų139132.4 Ų132.474%0.74375%0.751SS**  trans-53.1163.1-172.7-61.8-53.6000114.9
394N24.7Very low26.1Very low139 Ų139129.6 Ų129.674%0.74375%0.745SS**  trans106108.2132-84.8-9000119.1
395T23.6Very low26.9Very low113 Ų113129.9 Ų129.969%0.69375%0.747SS**  82.9108.3127.338.30000119.8
396T24.8Very low27.6Very low116 Ų116129 Ų12971%0.71275%0.745SS**  trans68.8104.5131.145.50000119
397T26Very low28.2Very low115 Ų115127.8 Ų127.871%0.70674%0.739SS**  30.1116.2117.951.60000117
398T24.4Very low29.1Very low128 Ų128126.7 Ų126.779%0.78573%0.728SS**  -179.8127.6112.824.90000112
399T25.9Very low30.2Very low132 Ų132129.7 Ų129.781%0.8173%0.729SS**  trans59.8109.7150.959.30000120
400G31.5Very low31.6Very low81 Ų81129.8 Ų129.884%0.83573%0.73SS**  92.619.9116.300000119
401I29.4Very low32.3Very low151 Ų151127.2 Ų127.277%0.77471%0.709SS**  trans-139.391.8164.1-48.1175.9000107.3P403I401-P403 WeakPolarHBondContact O-CD 3.08Å
402E26.7Very low34Very low183 Ų183125.5 Ų125.586%0.85570%0.7SS**  trans-64.4116.4158.9-94.5-169.1163.100106.9I404E402-I404 PolarHBondContact O-N 3.5Å; E402-I404 VanDerWaalsContact O-N 3.11Å
403P28.9Very low35.2Very low89 Ų89123.3 Ų123.358%0.57869%0.693SS**  trans-67115.1173.927.8-30.9000107.5I401 S405I401-P403 WeakPolarHBondContact O-CD 3.08Å; P403-S405 PolarHBondContact O-N 2.88Å
404I38Very low36.6Very low148 Ų148123.1 Ų123.176%0.75969%0.691SS**THydrogen-bonded Turntrans-609.5173.6-62.5164000112E402 I408E402-I404 PolarHBondContact O-N 3.5Å; E402-I404 VanDerWaalsContact O-N 3.11Å; I404-I408 HydrophobicContact CG2-CD1 4.23Å; I404-I408 WeakPolarHBondContact O-CD1 3Å; I404-I408 WeakPolarHBondContact O-CG1 3.41Å
405S42Very low38.1Very low91 Ų91121.1 Ų121.164%0.63668%0.678SS**THydrogen-bonded Turntrans-92.9-6-170.464.50000116.2P403P403-S405 PolarHBondContact O-N 2.88Å
406Q37.7Very low39.5Very low164 Ų164117.6 Ų117.677%0.76666%0.657SS**SBendtrans-107.2-27.3-179.2-78-175.5-6.700116.4
407D35.3Very low41.3Very low117 Ų117116.4 Ų116.463%0.62664%0.642SS**G310 helixtrans-95.5-0.4-177.1-84.2-19000115.7K409 S410 Y411D407-K409 PolarHBondContact O-N 3.42Å; D407-K409 VanDerWaalsContact O-N 3.11Å; D407-S410 PolarHBondContact O-N 2.85Å; D407-S410 PolarHBondContact O-OG 3.02Å; D407-Y411 HydrophobicContact CB-CE2 4.32Å; D407-Y411 WeakPolarHBondContact O-CD2 3.22Å
408I43Very low42.7Very low99 Ų99118.4 Ų118.451%0.50864%0.638SS.*G310 helixtrans-64-20.3177.1-60.1170.7000112.2I404 S410I404-I408 HydrophobicContact CG2-CD1 4.23Å; I404-I408 WeakPolarHBondContact O-CD1 3Å; I404-I408 WeakPolarHBondContact O-CG1 3.41Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 3.38Å
409K47.9Very low44.2Very low209 Ų209115.5 Ų115.591%0.90962%0.618SS**G310 helixtrans-73.4-19.5-178.7-72.2-174.7-179.1177.70114.2D407D407-K409 PolarHBondContact O-N 3.42Å; D407-K409 VanDerWaalsContact O-N 3.11Å
410S49.5Very low45.9Very low92 Ų92113.8 Ų113.864%0.64360%0.603SS**THydrogen-bonded Turntrans-94.8-20.6179.7570000113.2D407 I408 N412D407-S410 PolarHBondContact O-N 2.85Å; D407-S410 PolarHBondContact O-OG 3.02Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 3.38Å; S410-N412 PolarHBondContact O-N 3.03Å
411Y39.4Very low46.9Very low97 Ų97116.8 Ų116.838%0.3859%0.589SS.*SBendtrans-76.3126.7-179.7-73.7-72.8000111.9D407 E415D407-Y411 HydrophobicContact CB-CE2 4.32Å; D407-Y411 WeakPolarHBondContact O-CD2 3.22Å; Y411-E415 HydrophobicContact CD1-CB 4.06Å; Y411-E415 HydrophobicContact CD1-CG 3.7Å; Y411-E415 WeakPolarHBondContact CD1-OE2 3.35Å; Y411-E415 HydrophobicContact CE1-CG 4.11Å
412N62.5Low48.1Very low103 Ų103112.3 Ų112.355%0.55157%0.569SS**  trans-58.5136.3165.1-175.6-17.1000108S410 L414 E415 C416S410-N412 PolarHBondContact O-N 3.03Å; N412-L414 PolarHBondContact O-N 3.16Å; N412-L414 PolarHBondContact OD1-N 3.38Å; N412-E415 WeakPolarHBondContact O-CB 3.49Å; N412-E415 PolarHBondContact O-N 3.11Å; N412-C416 PolarHBondContact O-N 2.95Å
413P53.4Low49.3Very low83 Ų83109.3 Ų109.354%0.53956%0.559SS.*Hα-helixtrans-46.4-28.7177.7-32.131.9000115.5F417P413-F417 PolarHBondContact O-N 3.04Å; P413-F417 VanDerWaalsContact O-N 3.15Å
414L55.3Low50.4Low135 Ų135112.1 Ų112.171%0.70756%0.562SS**Hα-helixtrans-66.9-39.4175.9-139.990.4000112.8N412 F417 Y418N412-L414 PolarHBondContact O-N 3.16Å; N412-L414 PolarHBondContact OD1-N 3.38Å; L414-F417 PolarHBondContact O-N 2.72Å; L414-Y418 PolarHBondContact O-N 2.92Å
415E55.1Low50.5Low98 Ų98108.4 Ų108.446%0.45854%0.544SS..Hα-helixtrans-74.9-38-178.4-163.1169.8-175.600110.9Y411 N412 F417 Y418 N419Y411-E415 HydrophobicContact CD1-CB 4.06Å; Y411-E415 HydrophobicContact CD1-CG 3.7Å; Y411-E415 WeakPolarHBondContact CD1-OE2 3.35Å; Y411-E415 HydrophobicContact CE1-CG 4.11Å; N412-E415 WeakPolarHBondContact O-CB 3.49Å; N412-E415 PolarHBondContact O-N 3.11Å; E415-F417 VanDerWaalsContact C-N 3.31Å; E415-F417 PolarHBondContact O-N 3.33Å; E415-Y418 PolarHBondContact O-N 2.51Å; E415-N419 WeakPolarHBondContact O-CB 3.28Å; E415-N419 PolarHBondContact O-N 3.25Å; E415-N419 PolarHBondContact O-ND2 2.8Å
416C52.1Low50.8Low39 Ų39108.4 Ų108.426%0.26454%0.544SS..Hα-helixtrans-57.2-43.5167.2-92.50000112.1N412 L420N412-C416 PolarHBondContact O-N 2.95Å; C416-L420 WeakPolarHBondContact O-CD1 3.28Å; C416-L420 PolarHBondContact O-N 2.85Å
417F63.9Low51.1Low91 Ų91109.2 Ų109.240%0.39955%0.545SS..Hα-helixtrans-65.4-45.1177.1177.6-96000111.6P413 L414 E415 N419 L420 W421P413-F417 PolarHBondContact O-N 3.04Å; P413-F417 VanDerWaalsContact O-N 3.15Å; L414-F417 PolarHBondContact O-N 2.72Å; E415-F417 VanDerWaalsContact C-N 3.31Å; E415-F417 PolarHBondContact O-N 3.33Å; F417-N419 VanDerWaalsContact C-N 3.32Å; F417-N419 PolarHBondContact O-N 3.25Å; F417-L420 PolarHBondContact O-N 3.24Å; F417-W421 HydrophobicContact CE1-CB 4.25Å; F417-W421 HydrophobicContact CE1-CG 4.42Å; F417-W421 HydrophobicContact CZ-CB 4.48Å; F417-W421 HydrophobicContact CZ-CD2 4.31Å; F417-W421 AromaticContact CZ-CE3 3.89Å; F417-W421 HydrophobicContact CZ-CE3 3.89Å; F417-W421 VanDerWaalsContact O-CB 3.31Å; F417-W421 WeakPolarHBondContact O-CB 3.45Å; F417-W421 PolarHBondContact O-N 3.03Å
418Y54.4Low51.5Low156 Ų156108.3 Ų108.361%0.61254%0.539SS*.Hα-helixtrans-60.3-43.7179.1-159.5-93.8000111.1L414 E415 L420 W421 T422L414-Y418 PolarHBondContact O-N 2.92Å; E415-Y418 PolarHBondContact O-N 2.51Å; Y418-L420 PolarHBondContact O-N 3.07Å; Y418-W421 PolarHBondContact O-N 3.37Å; Y418-T422 HydrophobicContact CD1-CG2 3.76Å; Y418-T422 HydrophobicContact CE1-CG2 3.5Å; Y418-T422 WeakPolarHBondContact O-CG2 3.33Å; Y418-T422 PolarHBondContact O-N 2.81Å; Y418-T422 PolarHBondContact O-OG1 3.02Å
419N56.8Low51.4Low68 Ų68110.4 Ų110.436%0.36455%0.55SS..Hα-helixtrans-66.1-35.1176.7-73.1-18.2000113.4E415 F417 T422 N423E415-N419 WeakPolarHBondContact O-CB 3.28Å; E415-N419 PolarHBondContact O-N 3.25Å; E415-N419 PolarHBondContact O-ND2 2.8Å; F417-N419 VanDerWaalsContact C-N 3.32Å; F417-N419 PolarHBondContact O-N 3.25Å; N419-T422 PolarHBondContact O-OG1 3.26Å; N419-N423 WeakPolarHBondContact O-CB 3.18Å; N419-N423 VanDerWaalsContact O-CG 3.31Å; N419-N423 PolarHBondContact O-N 3.02Å; N419-N423 PolarHBondContact O-ND2 2.9Å
420L62.2Low51.3Low96 Ų96108.6 Ų108.650%0.50355%0.545SS..Hα-helixtrans-66.7-48.6170.5-101.7101.7000110.8C416 F417 Y418 T422 N423 F424C416-L420 WeakPolarHBondContact O-CD1 3.28Å; C416-L420 PolarHBondContact O-N 2.85Å; F417-L420 PolarHBondContact O-N 3.24Å; Y418-L420 PolarHBondContact O-N 3.07Å; L420-T422 PolarHBondContact O-N 3.3Å; L420-N423 PolarHBondContact O-N 3.32Å; L420-F424 HydrophobicContact CD2-CE2 4.26Å; L420-F424 VanDerWaalsContact O-CD2 3.28Å; L420-F424 WeakPolarHBondContact O-CD2 3.39Å; L420-F424 PolarHBondContact O-N 2.87Å; L420-F424 VanDerWaalsContact O-N 3.07Å
421W51.9Low50.8Low144 Ų144110.9 Ų110.955%0.54555%0.55SS..Hα-helixtrans-62.7-43.8-175-174.8-99.4000112.7F417 Y418 F424 N425F417-W421 HydrophobicContact CE1-CB 4.25Å; F417-W421 HydrophobicContact CE1-CG 4.42Å; F417-W421 HydrophobicContact CZ-CB 4.48Å; F417-W421 HydrophobicContact CZ-CD2 4.31Å; F417-W421 AromaticContact CZ-CE3 3.89Å; F417-W421 HydrophobicContact CZ-CE3 3.89Å; F417-W421 VanDerWaalsContact O-CB 3.31Å; F417-W421 WeakPolarHBondContact O-CB 3.45Å; F417-W421 PolarHBondContact O-N 3.03Å; Y418-W421 PolarHBondContact O-N 3.37Å; W421-F424 PolarHBondContact O-N 2.8Å; W421-N425 VanDerWaalsContact CE2-ND2 3.27Å; W421-N425 PolarHBondContact NE1-ND2 2.8Å; W421-N425 PolarHBondContact O-N 3.03Å; W421-N425 VanDerWaalsContact O-N 3.15Å; W421-N425 PolarHBondContact O-ND2 3.13Å
422T54.2Low50.7Low56 Ų56112.6 Ų112.634%0.34457%0.565SS.*Hα-helixtrans-68.2-39.1178.2530000112.2Y418 N419 L420 F424 N425 S426Y418-T422 HydrophobicContact CD1-CG2 3.76Å; Y418-T422 HydrophobicContact CE1-CG2 3.5Å; Y418-T422 WeakPolarHBondContact O-CG2 3.33Å; Y418-T422 PolarHBondContact O-N 2.81Å; Y418-T422 PolarHBondContact O-OG1 3.02Å; N419-T422 PolarHBondContact O-OG1 3.26Å; L420-T422 PolarHBondContact O-N 3.3Å; T422-F424 VanDerWaalsContact C-N 3.34Å; T422-F424 PolarHBondContact O-N 3.27Å; T422-N425 PolarHBondContact O-N 2.96Å; T422-S426 PolarHBondContact O-N 3.14Å
423N51.9Low50Low121 Ų121114.6 Ų114.665%0.64757%0.569SS**Hα-helixtrans-63.9-38.2175.9-80.9-40000112.2N419 L420 S426N419-N423 WeakPolarHBondContact O-CB 3.18Å; N419-N423 VanDerWaalsContact O-CG 3.31Å; N419-N423 PolarHBondContact O-N 3.02Å; N419-N423 PolarHBondContact O-ND2 2.9Å; L420-N423 PolarHBondContact O-N 3.32Å; N423-S426 PolarHBondContact O-OG 2.97Å; N423-S426 VanDerWaalsContact O-OG 3.08Å
424F51.4Low49.5Very low148 Ų148120.3 Ų120.365%0.64958%0.582SS**Hα-helixtrans-69.4-36.8177.1-90.8-76.7000113.2L420 W421 T422 S426L420-F424 HydrophobicContact CD2-CE2 4.26Å; L420-F424 VanDerWaalsContact O-CD2 3.28Å; L420-F424 WeakPolarHBondContact O-CD2 3.39Å; L420-F424 PolarHBondContact O-N 2.87Å; L420-F424 VanDerWaalsContact O-N 3.07Å; W421-F424 PolarHBondContact O-N 2.8Å; T422-F424 VanDerWaalsContact C-N 3.34Å; T422-F424 PolarHBondContact O-N 3.27Å; F424-S426 PolarHBondContact O-N 3.13Å
425N41.7Very low49.2Very low69 Ų69123.7 Ų123.737%0.36959%0.586SS.*Hα-helixtrans-79.1-16.4-174.9-74.5-26.5000114.7W421 T422 K427 I428W421-N425 VanDerWaalsContact CE2-ND2 3.27Å; W421-N425 PolarHBondContact NE1-ND2 2.8Å; W421-N425 PolarHBondContact O-N 3.03Å; W421-N425 VanDerWaalsContact O-N 3.15Å; W421-N425 PolarHBondContact O-ND2 3.13Å; T422-N425 PolarHBondContact O-N 2.96Å; N425-K427 PolarHBondContact O-N 2.76Å; N425-K427 VanDerWaalsContact O-N 3.16Å; N425-I428 PolarHBondContact O-N 2.88Å
426S47.3Very low49.3Very low91 Ų91124.5 Ų124.564%0.63659%0.592SS**THydrogen-bonded Turntrans-64.1-18.9178.165.80000114.3T422 N423 F424T422-S426 PolarHBondContact O-N 3.14Å; N423-S426 PolarHBondContact O-OG 2.97Å; N423-S426 VanDerWaalsContact O-OG 3.08Å; F424-S426 PolarHBondContact O-N 3.13Å
427K44Very low50.2Low182 Ų182126.6 Ų126.679%0.79160%0.6SS**THydrogen-bonded Turntrans-105.7-4.6-178.9-81.4-174.3177.4179.90115.2N425 I429N425-K427 PolarHBondContact O-N 2.76Å; N425-K427 VanDerWaalsContact O-N 3.16Å; K427-I429 PolarHBondContact O-N 2.96Å
428I44.6Very low50.4Low98 Ų98130.4 Ų130.450%0.50362%0.619SS.*  trans-85.671.2177.2-49.5177.5000107.5N425 F433N425-I428 PolarHBondContact O-N 2.88Å; I428-F433 HydrophobicContact CG2-CE2 4.33Å
429I39.7Very low51.2Low143 Ų143129.8 Ų129.873%0.73362%0.619SS**  trans-61.9136.9167.9-59.9167.8000107.2K427 D431K427-I429 PolarHBondContact O-N 2.96Å; I429-D431 VanDerWaalsContact C-N 3.31Å; I429-D431 PolarHBondContact O-N 2.94Å
430E45.7Very low51.8Low171 Ų171127.6 Ų127.680%0.79961%0.61SS**SBendtrans-61.68.3-150.5-73.7170.7141.800120
431D39.2Very low52.1Low140 Ų140126.8 Ų126.875%0.74961%0.605SS**THydrogen-bonded Turntrans-99.11.9-155.8-82-20.8000119.3I429I429-D431 VanDerWaalsContact C-N 3.31Å; I429-D431 PolarHBondContact O-N 2.94Å
432N37.9Very low53Low133 Ų133124.1 Ų124.171%0.71160%0.599SS**THydrogen-bonded Turntrans-125.220-173.8-74.4-35.4000116.4Y434N432-Y434 PolarHBondContact O-N 3.5Å; N432-Y434 VanDerWaalsContact O-N 3.14Å
433F47.2Very low53.8Low144 Ų144128.3 Ų128.363%0.63261%0.609SS**  trans-82.489.7163.7-64.5-75000108.9I428 Y435I428-F433 HydrophobicContact CG2-CE2 4.33Å; F433-Y435 HydrophobicContact CB-CD2 4.24Å; F433-Y435 HydrophobicContact CB-CE2 3.93Å; F433-Y435 WeakPolarHBondContact O-CD2 3.19Å; F433-Y435 PolarHBondContact O-N 2.95Å
434Y43.9Very low54.6Low204 Ų204128.9 Ų128.980%0.860%0.602SS**  trans-63.887.8160.2-70.2-80.8000107.8N432 M436N432-Y434 PolarHBondContact O-N 3.5Å; N432-Y434 VanDerWaalsContact O-N 3.14Å; Y434-M436 PolarHBondContact O-N 2.85Å
435Y47.7Very low55.2Low206 Ų206125.7 Ų125.781%0.80859%0.594SS**  trans-56.9113.7163.6-72.6-83.8000106.5F433 D437F433-Y435 HydrophobicContact CB-CD2 4.24Å; F433-Y435 HydrophobicContact CB-CE2 3.93Å; F433-Y435 WeakPolarHBondContact O-CD2 3.19Å; F433-Y435 PolarHBondContact O-N 2.95Å; Y435-D437 PolarHBondContact O-N 3.5Å
436M57.6Low56.4Low115 Ų115130 Ų13057%0.56761%0.605SS**  trans-57.5127170.3-71.5-102.284.800107.2Y434Y434-M436 PolarHBondContact O-N 2.85Å
437D70.7Confident57Low82 Ų82128.3 Ų128.344%0.43960%0.597SS.*  trans-58.4153.4172.173.1-13.6000109.9Y435 K439 S440 L441Y435-D437 PolarHBondContact O-N 3.5Å; D437-K439 PolarHBondContact O-N 3.46Å; D437-K439 VanDerWaalsContact O-N 3.11Å; D437-S440 PolarHBondContact O-N 3.33Å; D437-S440 WeakPolarHBondContact OD1-CA 3.39Å; D437-S440 WeakPolarHBondContact OD1-CB 3.37Å; D437-S440 PolarHBondContact OD1-N 3.32Å; D437-S440 PolarHBondContact OD1-OG 3.3Å; D437-L441 PolarHBondContact O-N 3.31Å
438E68Low57.7Low172 Ų172125.5 Ų125.580%0.80459%0.586SS**Hα-helixtrans-55.2-34.6-177.5-169177-174.500111.5L441 E442E438-L441 PolarHBondContact O-N 3.37Å; E438-E442 WeakPolarHBondContact O-CB 3.34Å; E438-E442 PolarHBondContact O-N 2.79Å
439K71.6Confident58.2Low142 Ų142125 Ų12562%0.61760%0.597SS**Hα-helixtrans-66.3-36.9174.6-77.1-176.5178.61760113.7D437 R443D437-K439 PolarHBondContact O-N 3.46Å; D437-K439 VanDerWaalsContact O-N 3.11Å; K439-R443 WeakPolarHBondContact O-CB 3.37Å; K439-R443 WeakPolarHBondContact O-CG 3.23Å; K439-R443 PolarHBondContact O-N 2.9Å
440S69.1Low58.5Low23 Ų23120.2 Ų120.216%0.16158%0.576CS.*Hα-helixtrans-74-34.9176.2-64.50000111D437 R443 R444D437-S440 PolarHBondContact O-N 3.33Å; D437-S440 WeakPolarHBondContact OD1-CA 3.39Å; D437-S440 WeakPolarHBondContact OD1-CB 3.37Å; D437-S440 PolarHBondContact OD1-N 3.32Å; D437-S440 PolarHBondContact OD1-OG 3.3Å; S440-R443 PolarHBondContact O-N 3.12Å; S440-R444 WeakPolarHBondContact O-CB 3.42Å; S440-R444 PolarHBondContact O-N 3.33Å
441L69Low58.5Low78 Ų78119.9 Ų119.941%0.40858%0.58SS.*Hα-helixtrans-62.4-47.3171.3-173.164000110.7D437 E438 R444 V445D437-L441 PolarHBondContact O-N 3.31Å; E438-L441 PolarHBondContact O-N 3.37Å; L441-R444 PolarHBondContact O-N 3.13Å; L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 3.18Å
442E70.9Confident58.7Low88 Ų88118.7 Ų118.741%0.41157%0.572SS.*Hα-helixtrans-61.8-43.6175.6-169.9-171.9-175.600111.8E438 R444 V445 R446E438-E442 WeakPolarHBondContact O-CB 3.34Å; E438-E442 PolarHBondContact O-N 2.79Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.07Å; E442-V445 PolarHBondContact O-N 3.29Å; E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 WeakPolarHBondContact O-CG 3.34Å; E442-R446 PolarHBondContact O-N 3.37Å; E442-R446 IonicContact OE1-CZ 3.81Å; E442-R446 IonicContact OE1-NE 3.42Å; E442-R446 IonicContact OE1-NH1 2.62Å; E442-R446 PolarHBondContact OE1-NH1 2.92Å; E442-R446 IonicContact OE1-NH2 3.03Å; E442-R446 PolarHBondContact OE1-NH2 2.9Å
443R70Confident58.8Low145 Ų145120 Ų12055%0.54758%0.577SS.*Hα-helixtrans-59.5-42.2174-84.7-176.7-103.5138.3-1.1111.7K439 S440 R446 A447K439-R443 WeakPolarHBondContact O-CB 3.37Å; K439-R443 WeakPolarHBondContact O-CG 3.23Å; K439-R443 PolarHBondContact O-N 2.9Å; S440-R443 PolarHBondContact O-N 3.12Å; R443-R446 PolarHBondContact O-N 3.32Å; R443-A447 VanDerWaalsContact O-CB 3.23Å; R443-A447 WeakPolarHBondContact O-CB 2.91Å; R443-A447 PolarHBondContact O-N 2.92Å
444R68.8Low58.3Low132 Ų132117 Ų11750%0.49857%0.574SS.*Hα-helixtrans-67.3-43.7177.7-171.8175.968.5165.70.9111.6S440 L441 E442 R446 A447 Q448S440-R444 WeakPolarHBondContact O-CB 3.42Å; S440-R444 PolarHBondContact O-N 3.33Å; L441-R444 PolarHBondContact O-N 3.13Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.07Å; R444-R446 VanDerWaalsContact C-N 3.3Å; R444-R446 PolarHBondContact O-N 3.18Å; R444-A447 CarbonylContact O-C 3.49Å; R444-A447 PolarHBondContact O-N 3.29Å; R444-Q448 WeakPolarHBondContact O-CB 3.34Å; R444-Q448 WeakPolarHBondContact O-CG 3.38Å; R444-Q448 PolarHBondContact O-N 3.33Å
445V65.3Low58Low82 Ų82112.8 Ų112.850%0.49757%0.572SS.*Hα-helixtrans-60.7-42174.9171.90000110.3L441 E442 Q448 A449L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 3.18Å; E442-V445 PolarHBondContact O-N 3.29Å; V445-Q448 PolarHBondContact O-N 3.15Å; V445-A449 VanDerWaalsContact O-CB 3.28Å; V445-A449 WeakPolarHBondContact O-CB 3.39Å; V445-A449 PolarHBondContact O-N 3.42Å
446R67.4Low57.4Low159 Ų159108.5 Ų108.560%0.657%0.567SS**Hα-helixtrans-66.5-37173.5-74.8-178.5175.81565.2113.1E442 R443 R444 Q448 S450E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 WeakPolarHBondContact O-CG 3.34Å; E442-R446 PolarHBondContact O-N 3.37Å; E442-R446 IonicContact OE1-CZ 3.81Å; E442-R446 IonicContact OE1-NE 3.42Å; E442-R446 IonicContact OE1-NH1 2.62Å; E442-R446 PolarHBondContact OE1-NH1 2.92Å; E442-R446 IonicContact OE1-NH2 3.03Å; E442-R446 PolarHBondContact OE1-NH2 2.9Å; R443-R446 PolarHBondContact O-N 3.32Å; R444-R446 VanDerWaalsContact C-N 3.3Å; R444-R446 PolarHBondContact O-N 3.18Å; R446-Q448 VanDerWaalsContact C-N 3.28Å; R446-S450 WeakPolarHBondContact O-CB 3.49Å; R446-S450 PolarHBondContact O-N 3.39Å; R446-S450 PolarHBondContact O-OG 3.24Å
447A58.8Low56.3Low55 Ų55108.3 Ų108.346%0.45558%0.577SS.*Hα-helixtrans-75.1-15.2175.700000113.4R443 R444 S450R443-A447 VanDerWaalsContact O-CB 3.23Å; R443-A447 WeakPolarHBondContact O-CB 2.91Å; R443-A447 PolarHBondContact O-N 2.92Å; R444-A447 CarbonylContact O-C 3.49Å; R444-A447 PolarHBondContact O-N 3.29Å; A447-S450 CarbonylContact C-O 3.58Å
448Q59.2Low55.2Low123 Ų123117.2 Ų117.258%0.57561%0.613SS**Hα-helixtrans-90.6-39.7169-74.1-179.8-23.500111.1R444 V445 R446 S450R444-Q448 WeakPolarHBondContact O-CB 3.34Å; R444-Q448 WeakPolarHBondContact O-CG 3.38Å; R444-Q448 PolarHBondContact O-N 3.33Å; V445-Q448 PolarHBondContact O-N 3.15Å; R446-Q448 VanDerWaalsContact C-N 3.28Å; Q448-S450 VanDerWaalsContact C-N 3.28Å; Q448-S450 PolarHBondContact O-N 3.26Å
449A54.6Low54.5Low89 Ų89114.5 Ų114.574%0.73660%0.603SS**Hα-helixtrans-67.1-31.4175.300000112.1V445V445-A449 VanDerWaalsContact O-CB 3.28Å; V445-A449 WeakPolarHBondContact O-CB 3.39Å; V445-A449 PolarHBondContact O-N 3.42Å
450S46.7Very low53.6Low41 Ų41113.1 Ų113.129%0.28760%0.602SS.*SBendtrans-90.7115.7162.766.10000107.4R446 A447 Q448 I452R446-S450 WeakPolarHBondContact O-CB 3.49Å; R446-S450 PolarHBondContact O-N 3.39Å; R446-S450 PolarHBondContact O-OG 3.24Å; A447-S450 CarbonylContact C-O 3.58Å; Q448-S450 VanDerWaalsContact C-N 3.28Å; Q448-S450 PolarHBondContact O-N 3.26Å; S450-I452 PolarHBondContact O-N 3.29Å
451N45.3Very low52.8Low165 Ų165118.1 Ų118.188%0.88263%0.627SS**  trans-65.529166.4-91.7-16.3000112.3I453N451-I453 PolarHBondContact O-N 2.98Å
452I42.5Very low51.8Low114 Ų114120.4 Ų120.459%0.58564%0.64SS**  trans-8888173.6-55.6171.5000104.4S450 S454S450-I452 PolarHBondContact O-N 3.29Å; I452-S454 PolarHBondContact O-N 3.05Å
453I41.3Very low50.6Low160 Ų160122.4 Ų122.482%0.82165%0.654SS**  trans-57.793.9147.5-60.5169.3000103.4N451 P455N451-I453 PolarHBondContact O-N 2.98Å; I453-P455 VanDerWaalsContact O-CD 3.28Å; I453-P455 WeakPolarHBondContact O-CD 3.28Å; I453-P455 VanDerWaalsContact O-N 3.11Å
454S37.1Very low49.3Very low81 Ų81120.9 Ų120.957%0.56666%0.661SS**  trans-61.4119.2171.658.80000104.7I452 V456I452-S454 PolarHBondContact O-N 3.05Å; S454-V456 PolarHBondContact O-N 3.42Å
455P37.5Very low47.9Very low116 Ų116120.1 Ų120.175%0.75367%0.673SS**  trans-57.5118.1176.422.6-29.9000106.5I453 S457I453-P455 VanDerWaalsContact O-CD 3.28Å; I453-P455 WeakPolarHBondContact O-CD 3.28Å; I453-P455 VanDerWaalsContact O-N 3.11Å; P455-S457 VanDerWaalsContact C-N 3.34Å; P455-S457 PolarHBondContact O-N 3.31Å
456V34.6Very low46.6Very low117 Ų117123.1 Ų123.171%0.70969%0.686SS**  trans-60.3106.4167.21780000104.5S454 F458S454-V456 PolarHBondContact O-N 3.42Å; V456-F458 PolarHBondContact O-N 3.41Å
457S34.2Very low44.9Very low110 Ų110120.1 Ų120.177%0.76969%0.693SS**  trans-66.6120.3173.6500000107.8P455P455-S457 VanDerWaalsContact C-N 3.34Å; P455-S457 PolarHBondContact O-N 3.31Å
458F46.9Very low43.6Very low270 Ų270126 Ų126100%1.18472%0.715SS**  trans-770167.2-71.8-83.1000110.6V456V456-F458 PolarHBondContact O-N 3.41Å

Retrieved 458 of 458 residues in 62.7 ms (Link to these results)