A0A096LW00_POEFO Loading...

Collagen like tail subunit of asymmetric acetylcholinesterase

AlphaFold DB , UniProt , Accession A0A096LW00, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 459 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
1A51.2Low51.2Low147 Ų147110.3 Ų110.3100%1.21570%0.702SS**  084.9000000107.6
2T49.8Very low51.6Low138 Ų138108.8 Ų108.885%0.84769%0.691SS**  trans-141.522.5-146.8-25.20000113.6
3I50Low52Low151 Ų151104.3 Ų104.377%0.77468%0.677SS**SBendtrans-121.4-27.6-179.2-64.2174.4000111.6G5I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 3.39Å
4C47.6Very low52.3Low120 Ų120105.4 Ų105.481%0.81167%0.673SS**THydrogen-bonded Turntrans-73.6-13.2-176.1-1570000115
5G48Very low52.5Low53 Ų53103.8 Ų103.855%0.54667%0.665SS.*THydrogen-bonded Turntrans-88.5-11.3-177.600000115.7I3I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 3.39Å
6S52.7Low52.7Low83 Ų83104 Ų10458%0.5866%0.659SS**SBendtrans-90.8-23-172.7-160.70000113.7
7M48.3Very low52.9Low129 Ų129102.1 Ų102.164%0.63565%0.648SS**Hα-helixtrans-83.9-21.5-174.8-65.4-87.470.100114L10M7-L10 HydrophobicContact CE-CD1 3.85Å
8T55.1Low53.1Low90 Ų90103.2 Ų103.255%0.55265%0.647SS**Hα-helixtrans-77-36.9-179.140.40000113.3A11 V12T8-A11 PolarHBondContact O-N 3.3Å; T8-V12 PolarHBondContact O-N 3.43Å
9L52.8Low53.1Low135 Ų135108 Ų10871%0.70765%0.652SS**Hα-helixtrans-67.9-37.7176.6-81.290.5000112.5A11 V12 G13L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.36Å; L9-V12 PolarHBondContact O-N 3.41Å; L9-G13 PolarHBondContact O-N 3.39Å; L9-G13 VanDerWaalsContact O-N 3.12Å
10L52.6Low53.2Low107 Ų107110.6 Ų110.656%0.5665%0.654SS**Hα-helixtrans-65.2-32.3178.5-90.2162.1000113.2M7M7-L10 HydrophobicContact CE-CD1 3.85Å
11A55.3Low53.2Low60 Ų60109.1 Ų109.150%0.49665%0.65SS.*Hα-helixtrans-69.6-45.317500000112.2T8 L9 G13 L14 C15T8-A11 PolarHBondContact O-N 3.3Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.36Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.28Å; A11-L14 PolarHBondContact O-N 3.39Å; A11-C15 PolarHBondContact O-N 3.48Å
12V56.1Low53.1Low93 Ų93107.7 Ų107.756%0.56462%0.621SS**Hα-helixtrans-66-36.9-178.7177.20000111.7T8 L9 L14 L16T8-V12 PolarHBondContact O-N 3.43Å; L9-V12 PolarHBondContact O-N 3.41Å; V12-L14 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 4.28Å
13G56.9Low53Low50 Ų50105.8 Ų105.852%0.51561%0.612SS.*Hα-helixtrans-64-21.1-179.900000115.5L9 A11L9-G13 PolarHBondContact O-N 3.39Å; L9-G13 VanDerWaalsContact O-N 3.12Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.28Å
14L55.8Low53Low119 Ų119105.1 Ų105.162%0.62361%0.609SS**Hα-helixtrans-101.1-25.2-178.6-74.9167.4000114A11 V12 P17A11-L14 PolarHBondContact O-N 3.39Å; V12-L14 PolarHBondContact O-N 3.38Å; L14-P17 WeakPolarHBondContact O-CD 3.48Å
15C55.2Low52.8Low82 Ų82102.9 Ų102.955%0.55460%0.599SS**Hα-helixtrans-76.1-32.7-179.8-69.10000113.8A11 L18 W19A11-C15 PolarHBondContact O-N 3.48Å; C15-L18 PolarHBondContact O-N 3.48Å; C15-W19 PolarHBondContact O-N 3.4Å; C15-W19 VanDerWaalsContact O-N 3.15Å
16L56.7Low52.8Low107 Ų107108.5 Ų108.556%0.5661%0.611SS**Hα-helixtrans-58.7-49.7-179-81.4162.2000114.7V12 L18 W19 F20V12-L16 HydrophobicContact CG1-CD1 4.28Å; L16-L18 PolarHBondContact O-N 3.44Å; L16-W19 PolarHBondContact O-N 3.12Å; L16-F20 PolarHBondContact O-N 3.38Å
17P55.3Low52.6Low72 Ų72109.6 Ų109.647%0.46862%0.619SS.*Hα-helixtrans-66.3-36.9177.524.7-33.9000112.7L14 W19 F20 S21L14-P17 WeakPolarHBondContact O-CD 3.48Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 3.24Å; P17-F20 PolarHBondContact O-N 3.5Å; P17-S21 PolarHBondContact O-N 3.24Å; P17-S21 PolarHBondContact O-OG 3.33Å
18L55.7Low52.3Low121 Ų121108 Ų10863%0.63462%0.621SS**Hα-helixtrans-64.3-33.9179.9-79.7168.3000113C15 L16 L22C15-L18 PolarHBondContact O-N 3.48Å; L16-L18 PolarHBondContact O-N 3.44Å; L18-L22 PolarHBondContact O-N 3.36Å
19W54.8Low51.4Low195 Ų195113.2 Ų113.274%0.73964%0.636SS**Hα-helixtrans-71.1-40.6174.6-117.1-5.4000112.3C15 L16 P17 S21 L22 C23C15-W19 PolarHBondContact O-N 3.4Å; C15-W19 VanDerWaalsContact O-N 3.15Å; L16-W19 PolarHBondContact O-N 3.12Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 3.24Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-S21 PolarHBondContact O-N 3.34Å; W19-L22 PolarHBondContact O-N 3.38Å; W19-L22 VanDerWaalsContact O-N 3.1Å; W19-C23 PolarHBondContact O-N 3.15Å
20F53.5Low50.6Low160 Ų160114.8 Ų114.870%0.70264%0.644SS**Hα-helixtrans-62-38.2175.6-108.6-90.4000112.6L16 P17 L22L16-F20 PolarHBondContact O-N 3.38Å; P17-F20 PolarHBondContact O-N 3.5Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.1Å
21S53.2Low49.5Very low80 Ų80117 Ų11756%0.55966%0.657SS**Hα-helixtrans-66.4-29.3173.5-59.90000113.7P17 W19P17-S21 PolarHBondContact O-N 3.24Å; P17-S21 PolarHBondContact O-OG 3.33Å; W19-S21 VanDerWaalsContact C-N 3.32Å; W19-S21 PolarHBondContact O-N 3.34Å
22L50.4Low48.4Very low117 Ų117118.6 Ų118.661%0.61366%0.664SS**Hα-helixtrans-74.7-41.2179.9-128.874.3000112.3L18 W19 F20 L24 A25L18-L22 PolarHBondContact O-N 3.36Å; W19-L22 PolarHBondContact O-N 3.38Å; W19-L22 VanDerWaalsContact O-N 3.1Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.1Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.28Å; L22-A25 PolarHBondContact O-N 3.46Å
23C48Very low47.2Very low97 Ų97124.2 Ų124.266%0.65568%0.681SS**Hα-helixtrans-68.7-27.8-178.7-67.30000113.6W19 A25W19-C23 PolarHBondContact O-N 3.15Å; C23-A25 VanDerWaalsContact C-N 3.27Å; C23-A25 PolarHBondContact O-N 3.22Å
24L48.5Very low46Very low138 Ų138129.3 Ų129.372%0.72370%0.696SS**THydrogen-bonded Turntrans-79.7-4.6176.7-72.7168000113.9L22L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.28Å
25A44.7Very low44.5Very low72 Ų72128.8 Ų128.860%0.59570%0.702SS**THydrogen-bonded Turntrans-100.23.5-175.900000114.7L22 C23L22-A25 PolarHBondContact O-N 3.46Å; C23-A25 VanDerWaalsContact C-N 3.27Å; C23-A25 PolarHBondContact O-N 3.22Å
26Q47.9Very low43.3Very low172 Ų172134.3 Ų134.380%0.80472%0.717SS**SBendtrans-115.9-3.4-174.2-69.3-168.2-4200115.4S28Q26-S28 VanDerWaalsContact C-N 3.31Å; Q26-S28 PolarHBondContact O-N 3.42Å
27S46.8Very low42.5Very low106 Ų106134.8 Ų134.874%0.74173%0.727SS**SBendtrans-89.742.8-177.864.20000114
28S42.4Very low41Very low96 Ų96135.9 Ų135.967%0.67174%0.741SS**SBendtrans-155.146.9-177.170.20000114.7Q26Q26-S28 VanDerWaalsContact C-N 3.31Å; Q26-S28 PolarHBondContact O-N 3.42Å
29F37.4Very low39.8Very low198 Ų198134.6 Ų134.687%0.86875%0.749SS**  trans-149.4152.9165.6-123.5-87.4000111.5
30L34.6Very low38.7Very low168 Ų168134.1 Ų134.188%0.8876%0.759SS**  trans78.274.1-172.6-55.2-178.6000116
31D30.4Very low37.6Very low155 Ų155136.5 Ų136.583%0.82976%0.764SS**  trans-121.4157.3144.1-153.4-27.4000108.4
32S32.7Very low36.4Very low92 Ų92137.9 Ų137.964%0.64377%0.773SS**  trans62.194.4173.9-63.80000119.7
33F30.7Very low35.5Very low212 Ų212137.8 Ų137.893%0.9377%0.77SS**  trans-149.194.7135.9-93.7-66.3000112
34L30.7Very low34.8Very low157 Ų157139.7 Ų139.782%0.82277%0.769SS**  trans2.2147.6148.9-52.1174.4000118.9
35S25.5Very low34Very low107 Ų107140.6 Ų140.675%0.74877%0.77SS**  cis-163.9173.614.6-133.60000114.6
36F29.1Very low33.4Very low198 Ų198145.6 Ų145.687%0.86878%0.781SS**  trans-65168.7170.9-81.3-75.1000113.7
37P39.3Very low32.4Very low118 Ų118147 Ų14777%0.76678%0.784SS**  cis-153-179.736.245.3-24.1000121.3
38A25.7Very low31.6Very low94 Ų94153.2 Ų153.278%0.77779%0.791SS**  trans96.3131.6141.100000122.3
39A29.1Very low30.7Very low95 Ų95158.6 Ų158.679%0.78580%0.803SS**  trans93.874.8146.600000121.2
40L32.7Very low30.5Very low184 Ų184156.1 Ų156.196%0.96380%0.799SS**  -160.8146.9110.7-105.5163.5000110.9
41R29.8Very low30.7Very low210 Ų210153.1 Ų153.179%0.79279%0.79SS**  trans-154.1124.8-166.3175.8-169.9176.4-175.50.6113.2
42S27.2Very low30.5Very low109 Ų109151.1 Ų151.176%0.76279%0.786SS**  trans-174.3136.2144.8-147.60000106.8
43Q33.3Very low30.3Very low115 Ų115152.3 Ų152.354%0.53779%0.793SS.*  cis55.3130.148.6-71.1-179.9-108.700111.9
44E33.1Very low30.4Very low138 Ų138149.6 Ų149.665%0.64579%0.788SS**  cis-150.8178.49.7-119.5165.471.300108
45Q30.1Very low30.3Very low157 Ų157149 Ų14973%0.73479%0.785SS**  cis-158.5171.428.5-147.7160.459.600112.5
46Q33.1Very low30.8Very low177 Ų177148.8 Ų148.883%0.82778%0.783SS**  trans-83.1159.5-179.6-57165.9-36.600113.8
47K26.4Very low31.3Very low202 Ų202145 Ų14588%0.87878%0.779SS**  -167.2147.7126.5-102147.6-169.5171.70113.1
48R31Very low31.2Very low236 Ų236145.2 Ų145.289%0.89178%0.779SS**  trans-86.9152.1166.4-67.4171.4167.1169.4-6.1109.4
49F23.6Very low31.8Very low208 Ų208146.3 Ų146.391%0.91278%0.779SS**  trans-169158.4136.1-116.6-80.6000111.7
50N32.8Very low32.4Very low146 Ų146146.8 Ų146.878%0.78177%0.774SS**  trans-146.9152.6169.1-113.4-12.9000105
51P39.5Very low32.9Very low106 Ų106144.4 Ų144.469%0.68877%0.769SS**  cis-141.4-151.118.340-17.4000113.5
52C25.7Very low33.1Very low112 Ų112141 Ų14176%0.75777%0.766SS**  trans81124.5159.2-72.40000120.8
53C28.8Very low33.3Very low118 Ų118144.9 Ų144.980%0.79777%0.77SS**  trans36.1128.2144.3-56.40000121.2
54L31.1Very low33.8Very low155 Ų155144.7 Ų144.781%0.81278%0.779SS**  -169.9136.5111-96.7170.1000112.4
55L30.4Very low34.4Very low145 Ų145143.7 Ų143.776%0.75978%0.784SS**  trans64.6110.1148.6-65.1163.1000122.6
56S34.1Very low35Very low101 Ų101141.8 Ų141.871%0.70679%0.785SS**  81.6120.4128.1-54.60000121.5
57P39.7Very low35.8Very low120 Ų120139.1 Ų139.178%0.77978%0.783SS**PPolyproline II helixtrans-80.9162.3164.234.7-34.4000113
58P38.8Very low36.1Very low121 Ų121134.8 Ų134.879%0.78678%0.778SS**PPolyproline II helixtrans-80158.7-175.932.5-36.6000114.6
59P38.5Very low36.1Very low118 Ų118130.8 Ų130.877%0.76677%0.774SS**PPolyproline II helixtrans-85.1157.4-175.834.6-36.8000114.4
60P41.7Very low36.7Very low105 Ų105130.6 Ų130.668%0.68277%0.767SS**PPolyproline II helixtrans-81.2152.8172.534.1-35.2000112.9
61P42.3Very low36.6Very low133 Ų133131.2 Ų131.286%0.86476%0.759SS**PPolyproline II helixtrans-75.9158.3174.531.9-35.2000113
62L33.1Very low36Very low140 Ų140136.5 Ų136.573%0.73377%0.765SS**  trans-132147.4-170.4-75.1166.9000113.9
63F33.3Very low36.3Very low190 Ų190137.8 Ų137.883%0.83376%0.759SS**  trans77.2148.6159.3-63.4-61.1000122.6
64P43.3Very low36.4Very low111 Ų111137.8 Ų137.872%0.72176%0.756SS**  trans-108.4-160177.846.8-38.5000111.8
65P45.8Very low36.4Very low117 Ų117136.2 Ų136.276%0.7675%0.748SS**  cis-116.5-113.7-8.435.3-12000111.5
66P42.8Very low36.4Very low117 Ų117136.7 Ų136.776%0.7675%0.746SS**  cis-116.1179.2-1.543.7-30000115.5
67P48.3Very low36.3Very low121 Ų121140 Ų14079%0.78675%0.75SS**  trans-114.7164.5-172.241.3-33.4000117.4
68S32.9Very low35.9Very low110 Ų110141.5 Ų141.577%0.76975%0.752SS**  trans-154137.1155.3520000109.1
69L32.7Very low35.6Very low153 Ų153138.6 Ų138.680%0.80174%0.743SS**  cis73.9100.236.7-75.9177000116.4
70W34.8Very low35.2Very low203 Ų203138.1 Ų138.177%0.76974%0.743SS**  trans-157.5112.6130.9-8292.6000107.1
71R31.9Very low34.7Very low160 Ų160144 Ų14460%0.60475%0.752SS**  77.3115.676.2-158.7-166.8-57.9-152.37.7112.4
72R26.5Very low34.1Very low216 Ų216149.5 Ų149.582%0.81576%0.755SS**  -159.7133.583.1-88.5178-166.6-125.20.5112
73H31.7Very low33.9Very low140 Ų140146.6 Ų146.665%0.64876%0.76SS**  63.9143.697.9-77-99.9000113.8
74T30.4Very low33.7Very low117 Ų117144.5 Ų144.572%0.71876%0.757SS**  cis-172.5148.334.42.30000106.5
75L32.4Very low33.1Very low123 Ų123146.9 Ų146.964%0.64476%0.759SS**  cis-147.4155.91.9-68.9172.8000108
76E29.3Very low32.4Very low155 Ų155147 Ų14772%0.72476%0.762SS**  66150.197.7-55.8170175.700117.3
77E32.1Very low31.7Very low170 Ų170144.9 Ų144.979%0.79476%0.762SS**  cis-161.3166.2-11.6-117.7-168.9178.500107.6
78D31.2Very low31.2Very low152 Ų152148.3 Ų148.381%0.81377%0.767SS**  cis-130.6-99.2-15.4173.925.1000107.8
79G32Very low31.2Very low59 Ų59152.4 Ų152.461%0.60877%0.771SS**  cis176.9153.5-1600000115.3
80S31.4Very low31.4Very low109 Ų109151 Ų15176%0.76277%0.774SS**  trans-156.7123.1177.3-177.80000115
81R31.1Very low31.5Very low228 Ų228151.6 Ų151.686%0.8678%0.782SS**  trans174.1140.6132.6-95.3153.4-175.4-167.62.5114.6
82R29.2Very low31.6Very low248 Ų248147.8 Ų147.894%0.93679%0.792SS**  trans44.3115.1147.2-61.4-179.4177.9-178.9-1.4119.6
83G29.2Very low31.9Very low80 Ų80143 Ų14383%0.82579%0.792SS**  trans-159.3151.1162.500000111.2
84N28.7Very low32.1Very low145 Ų145141.2 Ų141.278%0.77580%0.801SS**  trans-88.3163.6-169-110.216.7000115
85E30.7Very low32.4Very low162 Ų162142 Ų14276%0.75781%0.81SS**  trans81.9142.5141.4-80165.1132.700124.5
86S30.3Very low32.8Very low118 Ų118140.9 Ų140.983%0.82582%0.819SS**  trans46.692.815655.10000119.3
87G29.4Very low33.7Very low74 Ų74142.8 Ų142.876%0.76383%0.828SS**  trans-81.2-164.6171.800000116.2
88H36.3Very low34.5Very low193 Ų193137.7 Ų137.789%0.89482%0.821SS**  trans-152.3172.6155.1-128.5-112.4000111
89K34.7Very low35.6Very low195 Ų195136.4 Ų136.485%0.84882%0.821SS**  trans-87.1141.8-165.2-58.8164.9-179.4166.70114.7
90S36.3Very low37.2Very low125 Ų125139.7 Ų139.787%0.87483%0.831SS**  trans-153.5146.3141.954.20000111.2
91K36.4Very low38.4Very low214 Ų214137.6 Ų137.693%0.9383%0.827SS**  trans-118.7146.4179.3-80.5-172.8174.9-175.30110.9
92G33.8Very low39.7Very low80 Ų80133 Ų13383%0.82583%0.827SS**  trans78.9164.5165.200000114.7
93S34.3Very low41.5Very low117 Ų117126 Ų12682%0.81882%0.822SS**  cis-145.7158.1-3.551.40000110.9
94A35.6Very low42.8Very low101 Ų101125.3 Ų125.384%0.83581%0.814SS**PPolyproline II helixtrans-75.9141.617500000111.3
95C36.7Very low44.2Very low133 Ų133124.2 Ų124.290%0.89982%0.815SS**PPolyproline II helixtrans-85.2133.5171.9-65.10000110.4
96A41.2Very low45.9Very low100 Ų100122.6 Ų122.683%0.82682%0.819SS**PPolyproline II helixtrans-86.7159.3-177.800000113
97Q47.8Very low47.1Very low196 Ų196120 Ų12092%0.91681%0.811SS**PPolyproline II helixtrans-64.1147.9168-102.8172.8-1100111.3
98G48.7Very low48.3Very low63 Ų63122.6 Ų122.665%0.64981%0.814SS**PPolyproline II helixtrans-67155175.300000112.8
99P54.3Low49.4Very low124 Ų124121.7 Ų121.781%0.80581%0.81SS**PPolyproline II helixtrans-66.1148.9-179.128.3-35.2000111.9
100P64.3Low50.3Low128 Ų128120.1 Ų120.183%0.83181%0.811SS**PPolyproline II helixtrans-57.8149.1171.6-23.934.4000112.5
101G56.7Low50.8Low65 Ų65121.2 Ų121.267%0.6781%0.807SS**PPolyproline II helixtrans-63.2155.9173.500000112.6
102P58.7Low52Low133 Ų133121 Ų12186%0.86481%0.806SS**PPolyproline II helixtrans-62.1144.918027.1-35000111.5
103A67.6Low53Low101 Ų101119.8 Ų119.884%0.83579%0.794SS**PPolyproline II helixtrans-62.8144.2176.400000111.5
104G56.8Low53.9Low64 Ų64120 Ų12066%0.6679%0.793SS**PPolyproline II helixtrans-63.6156.1173.300000112.3
105P57.6Low55.4Low123 Ų123121.3 Ų121.380%0.79979%0.793SS**PPolyproline II helixtrans-62.4148179.127.3-34.9000111.3
106P67.4Low56.2Low127 Ų127118.4 Ų118.483%0.82579%0.786SS**PPolyproline II helixtrans-56.2143174.2-24.834.5000112.3
107G54.3Low56.6Low64 Ų64123.3 Ų123.366%0.6679%0.789SS**PPolyproline II helixtrans-62.5153.9171.100000111.9Q109G107-Q109 PolarHBondContact O-N 3.39Å
108P55.8Low57.3Low129 Ų129119.8 Ų119.884%0.83878%0.783SS**PPolyproline II helixtrans-61.6132.217926.7-34.3000110.7
109Q59.2Low57.2Low174 Ų174120.4 Ų120.481%0.81379%0.789SS**PPolyproline II helixtrans-71.6137-177.1-174.7174.9-6.100111.6G107 N111G107-Q109 PolarHBondContact O-N 3.39Å; Q109-N111 VanDerWaalsContact C-N 3.33Å; Q109-N111 PolarHBondContact O-N 3.48Å
110D54.1Low56.8Low162 Ų162123.3 Ų123.387%0.86679%0.794SS**  trans-66.181.4-177.7-69.2-64.8000113.4K112D110-K112 PolarHBondContact O-N 3.39Å
111N46.4Very low56.3Low148 Ų148128.9 Ų128.979%0.79180%0.799SS**  trans-68.198.3166.8-78.4-40.3000109.5Q109 G113Q109-N111 VanDerWaalsContact C-N 3.33Å; Q109-N111 PolarHBondContact O-N 3.48Å; N111-G113 PolarHBondContact O-N 3.26Å
112K61.7Low55.7Low208 Ų208128.5 Ų128.590%0.90479%0.794SS**  trans-50.6113.6175.1-155.9176.1-167.4176.50109.6D110D110-K112 PolarHBondContact O-N 3.39Å
113G53.8Low55Low56 Ų56128.4 Ų128.458%0.57779%0.794SS**PPolyproline II helixtrans-58152.9-172.300000113.2N111N111-G113 PolarHBondContact O-N 3.26Å
114P54.5Low54.1Low121 Ų121133.3 Ų133.379%0.78680%0.797SS**PPolyproline II helixtrans-59.7147.4179.126.5-34.8000110.8G116P114-G116 PolarHBondContact O-N 3.27Å
115P65.8Low53.4Low128 Ų128133.5 Ų133.583%0.83180%0.798SS**PPolyproline II helixtrans-53.8130.2175.6-25.334.6000111.4
116G54.2Low52.7Low73 Ų73136.9 Ų136.975%0.75380%0.803SS**PPolyproline II helixtrans-59.3139.3179.300000111.6P114P114-G116 PolarHBondContact O-N 3.27Å
117F49.8Very low51.7Low203 Ų203140.7 Ų140.789%0.8981%0.807SS**PPolyproline II helixtrans-56.4142.2177.7-70.1-81.8000111.2G119F117-G119 PolarHBondContact O-N 3.06Å
118P62.3Low51Low121 Ų121140.9 Ų140.979%0.78681%0.809SS**PPolyproline II helixtrans-54.2126.5174-25.834.8000111.1M120P118-M120 PolarHBondContact O-N 2.71Å
119G45.5Very low50.3Low77 Ų77143.8 Ų143.879%0.79481%0.811SS**PPolyproline II helixtrans-56.5129.5-178.200000111.6F117 R121F117-G119 PolarHBondContact O-N 3.06Å; G119-R121 PolarHBondContact O-N 3.43Å
120M45.8Very low49.5Very low185 Ų185143.4 Ų143.491%0.91181%0.813SS**PPolyproline II helixtrans-57.4130.4178.5-67.8179.668.300110P118 G122P118-M120 PolarHBondContact O-N 2.71Å; M120-G122 PolarHBondContact O-N 2.83Å
121R54.5Low48.8Very low245 Ų245139 Ų13993%0.92581%0.805SS**PPolyproline II helixtrans-57.7117.3174.3178.2178.4-72.8-177-2.7108.4G119G119-R121 PolarHBondContact O-N 3.43Å
122G43.2Very low48.4Very low56 Ų56143 Ų14358%0.57781%0.809SS**PPolyproline II helixtrans-55.3150.4-177.800000112.5M120M120-G122 PolarHBondContact O-N 2.83Å
123P44.4Very low47.8Very low131 Ų131139 Ų13985%0.85181%0.805SS**PPolyproline II helixtrans-58.4144.9-18025.8-34.4000110.6G125P123-G125 PolarHBondContact O-N 3.4Å; P123-G125 VanDerWaalsContact O-N 3.1Å
124K48.9Very low47.3Very low205 Ų205140 Ų14089%0.89182%0.815SS**  trans-61.4115.9174-178.4-177.2179.2-177.60108.3E126K124-E126 PolarHBondContact O-N 3.44Å
125G42.3Very low46.5Very low67 Ų67143.6 Ų143.669%0.69182%0.821SS**  trans-51.1135.4-177.500000112.4P123P123-G125 PolarHBondContact O-N 3.4Å; P123-G125 VanDerWaalsContact O-N 3.1Å
126E43.6Very low45.6Very low194 Ų194147.5 Ų147.591%0.90783%0.825SS**  trans-66.7150.1-177.1-61.8-170135.400111.3K124 G128K124-E126 PolarHBondContact O-N 3.44Å; E126-G128 PolarHBondContact O-N 3.45Å; E126-G128 VanDerWaalsContact O-N 3.11Å
127K45.5Very low45.3Very low208 Ų208147.1 Ų147.190%0.90482%0.821SS**  trans-73.2107178.3-177-175.6176.7-174.10108.4
128G40.1Very low44.9Very low68 Ų68149.4 Ų149.470%0.70182%0.824SS**PPolyproline II helixtrans-48.7139.5-178.100000113.6E126E126-G128 PolarHBondContact O-N 3.45Å; E126-G128 VanDerWaalsContact O-N 3.11Å
129E40.6Very low44.7Very low189 Ų189150.4 Ų150.488%0.88383%0.828SS**PPolyproline II helixtrans-62.4151.1-177.7-62.3-164.3136.200112.3G131E129-G131 PolarHBondContact O-N 3.25Å
130I43Very low45Very low167 Ų167149.3 Ų149.386%0.85682%0.817SS**PPolyproline II helixtrans-71117.6174.9-60.9175.7000108.3R132I130-R132 PolarHBondContact O-N 3.26Å
131G38.6Very low45.1Very low68 Ų68146.3 Ų146.370%0.70181%0.811SS**PPolyproline II helixtrans-53.8134.5-179.300000112.7E129E129-G131 PolarHBondContact O-N 3.25Å
132R38.9Very low45.4Very low232 Ų232140.7 Ų140.788%0.87581%0.806SS**PPolyproline II helixtrans-63.7142.1-178.8-63.5-176.8-177.7-171.80.7110.7I130 G134I130-R132 PolarHBondContact O-N 3.26Å; R132-G134 PolarHBondContact O-N 3.42Å
133P47.8Very low45.8Very low126 Ų126141.5 Ų141.582%0.81882%0.815SS**PPolyproline II helixtrans-55.1134176.5-26.535000112.4
134G43.5Very low45.8Very low75 Ų75143.2 Ų143.277%0.77382%0.816SS**PPolyproline II helixtrans-62.3143.6178.900000112.4R132R132-G134 PolarHBondContact O-N 3.42Å
135Q38.9Very low46.4Very low198 Ų198139.3 Ų139.393%0.92581%0.811SS**PPolyproline II helixtrans-66.1139.7176.9-68.5-169.84.300111G137Q135-G137 PolarHBondContact O-N 2.87Å
136K47.2Very low46.9Very low209 Ų209139.7 Ų139.791%0.90982%0.815SS**PPolyproline II helixtrans-65.1126.6178.5-170.1175.2-177.2178.10110
137G47Very low47Very low66 Ų66139.8 Ų139.868%0.6882%0.816SS**PPolyproline II helixtrans-56.1145.7178.500000112.7Q135Q135-G137 PolarHBondContact O-N 2.87Å
138R41.4Very low47.4Very low251 Ų251139 Ų13995%0.94782%0.816SS**PPolyproline II helixtrans-65.5137.3177.4-71.4-177.7172.6-176-2.6110.4G140R138-G140 PolarHBondContact O-N 3.1Å
139T58.3Low48.1Very low141 Ų141138.5 Ų138.587%0.86581%0.81SS**PPolyproline II helixtrans-58.4135.2171.8-440000110
140G50.5Low48.4Very low54 Ų54135.7 Ų135.756%0.55781%0.808SS**PPolyproline II helixtrans-63.4158.3174.100000112.5R138R138-G140 PolarHBondContact O-N 3.1Å
141P48Very low49.1Very low122 Ų122132.2 Ų132.279%0.79280%0.804SS**PPolyproline II helixtrans-63.5151.6176.928.3-35000111.2
142P61.4Low49.9Very low127 Ų127132.4 Ų132.483%0.82581%0.806SS**PPolyproline II helixtrans-57.1141.7172.3-23.534.2000111.8
143G51.9Low50Low74 Ų74133.1 Ų133.176%0.76381%0.809SS**PPolyproline II helixtrans-61.8145.3172.400000111.6
144L44.8Very low50.4Low167 Ų167132.8 Ų132.887%0.87481%0.807SS**PPolyproline II helixtrans-61.5144.7178.1-67.4172.8000111G146L144-G146 PolarHBondContact O-N 3.29Å
145P60.2Low50.8Low122 Ų122132.3 Ų132.379%0.79280%0.802SS**PPolyproline II helixtrans-56.5131.4172.4-23.734000111.3
146G53.1Low51.1Low75 Ų75128.6 Ų128.677%0.77380%0.795SS**PPolyproline II helixtrans-60.7137.5173.500000110.8L144L144-G146 PolarHBondContact O-N 3.29Å
147Q46Very low51.1Low197 Ų197124.7 Ų124.792%0.92179%0.791SS**PPolyproline II helixtrans-60.7142.8178.2-72.4-170.6-4.900111.1G149Q147-G149 PolarHBondContact O-N 3.43Å
148Q54Low51.1Low192 Ų192125.3 Ų125.390%0.89780%0.797SS**PPolyproline II helixtrans-64124.6174.4-177.1173.7-4.600109.5
149G54Low51.1Low56 Ų56121.1 Ų121.158%0.57779%0.794SS**PPolyproline II helixtrans-59148.1176.500000111.9Q147Q147-G149 PolarHBondContact O-N 3.43Å
150P48.6Very low50.2Low131 Ų131124.1 Ų124.185%0.85180%0.795SS**PPolyproline II helixtrans-59.7148.3-178.225.8-34.8000111.4G152P150-G152 PolarHBondContact O-N 3.5Å
151A57.8Low49.6Very low94 Ų94125.1 Ų125.178%0.77781%0.805SS**PPolyproline II helixtrans-60.6135178.700000111
152G55.5Low49.2Very low72 Ų72128.7 Ų128.774%0.74281%0.811SS**PPolyproline II helixtrans-62.5135.9175.100000111.2P150P150-G152 PolarHBondContact O-N 3.5Å
153W40.6Very low47.9Very low246 Ų246132.6 Ų132.693%0.93282%0.815SS**PPolyproline II helixtrans-60.6143.5177.8-68.283.6000111.1G155W153-G155 PolarHBondContact O-N 3.38Å
154P55.1Low47.5Very low119 Ų119132.3 Ų132.377%0.77381%0.812SS**PPolyproline II helixtrans-56.6131.5172.7-23.934.2000111.1
155G52.4Low46.9Very low65 Ų65132.2 Ų132.267%0.6781%0.812SS**PPolyproline II helixtrans-64.2147.4173.700000111.3W153W153-G155 PolarHBondContact O-N 3.38Å
156P45.1Very low46.5Very low121 Ų121132.3 Ų132.379%0.78681%0.813SS**PPolyproline II helixtrans-62.4152.117727.3-34.8000111.2G158P156-G158 PolarHBondContact O-N 3.48Å
157P48Very low45.7Very low127 Ų127132.3 Ų132.383%0.82581%0.813SS**PPolyproline II helixtrans-55.8130.6171.5-23.134000110.9
158G45.6Very low45.5Very low78 Ų78131.4 Ų131.480%0.80481%0.813SS**PPolyproline II helixtrans-74.6137.6-178.300000112.8P156P156-G158 PolarHBondContact O-N 3.48Å
159D42.5Very low44.8Very low163 Ų163130.2 Ų130.287%0.87281%0.81SS**PPolyproline II helixtrans-65.4155.9179-74.1-59.5000113.7G161D159-G161 PolarHBondContact O-N 3.1Å; D159-G161 VanDerWaalsContact O-N 3.12Å
160K38.9Very low44Very low205 Ų205131 Ų13189%0.89182%0.818SS**  trans-74.7101.3-175.6-172.8-179.8179.6-175.80110.4
161G38.5Very low43.4Very low75 Ų75132.1 Ų132.177%0.77382%0.816SS**PPolyproline II helixtrans-55.6137.4-169.500000116.1D159D159-G161 PolarHBondContact O-N 3.1Å; D159-G161 VanDerWaalsContact O-N 3.12Å
162E38.2Very low43.2Very low197 Ų197133.7 Ų133.792%0.92182%0.818SS**PPolyproline II helixtrans-89.5168.8173.5-61.5-165.212800112.5
163K35.4Very low42.4Very low209 Ų209134 Ų13491%0.90982%0.821SS**PPolyproline II helixtrans-93.1116.7-174.7-175.3-172.2176.8-165.70110
164G43.3Very low42.2Very low67 Ų67128.2 Ų128.269%0.69182%0.819SS**  trans-89.9176.5-174.200000116.3
165D32.4Very low41.8Very low165 Ų165133.8 Ų133.888%0.88282%0.824SS**  trans-137.3165.6177.7-94.2-49.8000111.4
166P51.1Low41.6Very low125 Ų125133.3 Ų133.381%0.81282%0.82SS**  trans-107.1161.8-15439.3-36.4000117.3
167G36.7Very low41.6Very low74 Ų74134.2 Ų134.276%0.76383%0.825SS**  trans-175.4134.3164.600000116.3
168L40.5Very low41.6Very low178 Ų178136.7 Ų136.793%0.93283%0.828SS**  trans-103.3166.4154-72.782.2000106.8
169M39.4Very low42Very low167 Ų167135.8 Ų135.882%0.82382%0.819SS**  cis-161.9159.230.8-179.1177.165.100110.3
170G38.5Very low42.1Very low72 Ų72134.7 Ų134.774%0.74282%0.821SS**  trans-154.5153.8171.200000113
171L35.7Very low42.5Very low156 Ų156137.2 Ų137.282%0.81783%0.825SS**  trans-125.6171.1-166.3-83.5167.3000113.2
172P54Low42.6Very low126 Ų126136.6 Ų136.682%0.81882%0.818SS**  trans-109.7170.6-143.641.6-39.1000117.8
173G38.4Very low42.4Very low79 Ų79135.4 Ų135.481%0.81482%0.817SS**  trans-173.6157.2160.700000110.6
174S37Very low43.3Very low125 Ų125131.2 Ų131.287%0.87481%0.811SS**  cis-150.6177.7-5.368.10000110.3
175R45.1Very low43Very low235 Ų235131.1 Ų131.189%0.88781%0.81SS**PPolyproline II helixtrans-98.3125.7-173.7177.3175.9177.9172.10.7112.6
176G49.7Very low43.1Very low56 Ų56134.3 Ų134.358%0.57781%0.812SS**PPolyproline II helixtrans-70.4153.1170.600000114
177P45.1Very low42.4Very low139 Ų139138.2 Ų138.290%0.90382%0.816SS**PPolyproline II helixtrans-76.3164.4-171.631.3-36.5000114.4
178M47.4Very low42.7Very low179 Ų179137.9 Ų137.988%0.88281%0.812SS**PPolyproline II helixtrans-89.7132.9179.5-174.5174.171.700111.5
179G54.9Low42.6Very low59 Ų59139.2 Ų139.261%0.60881%0.814SS**PPolyproline II helixtrans-71.7154.9175.600000113.9
180P43.3Very low42.5Very low141 Ų141141.1 Ų141.192%0.91682%0.818SS**PPolyproline II helixtrans-75.5165.9-174.931.7-36.6000113.8
181R48.4Very low42.8Very low258 Ų258141.3 Ų141.397%0.97482%0.82SS**  trans-124.1128.1-176.8-174.7-176.6-174.1-176.92.9112.1
182G39.7Very low43Very low62 Ų62139.6 Ų139.664%0.63982%0.821SS**  trans171.2153.9171.300000110.3
183L34.4Very low42.2Very low171 Ų171145.2 Ų145.290%0.89583%0.825SS**  cis-140162.6-2.2-82.3170.8000109.8
184P54Low42.3Very low122 Ų122144.7 Ų144.779%0.79282%0.821SS**  trans-92150.9-172.635.6-35.3000115.1
185G37.6Very low42.5Very low65 Ų65146.9 Ų146.967%0.6782%0.822SS**  trans168.2149.4168.900000111
186Y34.2Very low42.1Very low231 Ų231147.6 Ų147.691%0.90683%0.825SS**  cis-146166.4-7.1-99.2-82.4000110.7
187K37.1Very low41.5Very low207 Ų207148.7 Ų148.790%0.984%0.836SS**  trans-55.7141.1167.6-172-175.8-170.5-179.10110.6
188G42.5Very low41.5Very low67 Ų67151.4 Ų151.469%0.69184%0.837SS**  cis158.7166.3-0.300000109.6
189E38.2Very low40.9Very low206 Ų206151.6 Ų151.696%0.96384%0.84SS**  trans-123.3173-179.5-80.7-148.311400115.1
190K37.4Very low40.3Very low208 Ų208152.2 Ų152.290%0.90485%0.847SS**PPolyproline II helixtrans-83.6128.5-156.1-164.4173.4-178178.30112.4
191G44.4Very low40Very low76 Ų76153.9 Ų153.978%0.78485%0.847SS**PPolyproline II helixtrans-70.8152.7-169.900000115.9
192S40.4Very low39.8Very low120 Ų120153.5 Ų153.584%0.83985%0.846SS**PPolyproline II helixtrans-94.8161.9167.551.30000112
193R36.2Very low39.9Very low243 Ų243153.6 Ų153.692%0.91785%0.846SS**PPolyproline II helixtrans-61.1133.4-176.4-166.8177.2-168.8139.5-3.2111.2
194G41.3Very low40.3Very low69 Ų69153.5 Ų153.571%0.71185%0.846SS**PPolyproline II helixtrans-89.4145.7-177.800000114.3
195D41Very low39.7Very low171 Ų171157.9 Ų157.991%0.91485%0.853SS**PPolyproline II helixtrans-101.5169.3170.5-75.1-52.9000112.1
196R36.6Very low39.9Very low250 Ų250158.3 Ų158.394%0.94386%0.858SS**  trans-119.1115.6-150.3177-177.6173.1170-1.8114.8
197G37.2Very low40.5Very low78 Ų78152.3 Ų152.380%0.80486%0.856SS**  trans91.7119.9146.300000117
198E44.6Very low40.6Very low197 Ų197151 Ų15192%0.92186%0.855SS**  trans-94.2133.7166.6-123.1-176.5170.500110.5
199L35.7Very low40.4Very low182 Ų182151.2 Ų151.295%0.95386%0.857SS**  trans-170.5129.7170.6-102.1147000107.1
200G41.3Very low40.6Very low72 Ų72150.7 Ų150.774%0.74285%0.852SS**  cis-154.4-148.82.400000113.1
201L37.7Very low41.3Very low176 Ų176146.4 Ų146.492%0.92185%0.846SS**  trans-93.6134.5-155.7-70162.4000117.1
202R43.9Very low41.4Very low251 Ų251146.6 Ų146.695%0.94785%0.848SS**  trans56.9109.8132-169.2179.7-177.8168.40.8121.2
203G43.1Very low41.3Very low63 Ų63149.8 Ų149.865%0.64985%0.852SS**  trans170.6142.2156.900000108.5
204D42Very low41.6Very low169 Ų169146.6 Ų146.690%0.90485%0.852SS**  cis-141.1173.9-0.4-81-47.3000111.4G206D204-G206 PolarHBondContact O-N 3.44Å
205K41.7Very low41.9Very low214 Ų214146.4 Ų146.493%0.9385%0.85SS**  trans-92.195.6-173.9-170.5-171.9175.5-175.40113.9
206G42.3Very low42Very low75 Ų75147.9 Ų147.977%0.77385%0.851SS**  trans96.8130.114200000117.6D204D204-G206 PolarHBondContact O-N 3.44Å
207A47Very low42.4Very low104 Ų104145.4 Ų145.486%0.8685%0.847SS**  trans-129.6146.7161.900000108.8
208M37.9Very low43.1Very low179 Ų179144.7 Ų144.788%0.88284%0.84SS**  trans-76.1141.8179.5-162170.7-69.800110.3
209G39.1Very low43.1Very low72 Ų72144.9 Ų144.974%0.74284%0.841SS**  trans-69.6153-167.900000115
210F41.4Very low43.6Very low196 Ų196144.9 Ų144.986%0.8684%0.838SS**  trans-121.5162.4169.2-88-92.6000110.9
211P51.9Low44.2Very low118 Ų118144.2 Ų144.277%0.76683%0.831SS**PPolyproline II helixtrans-60.4153.5-164.3-27.936.9000116.2
212G46.5Very low44.8Very low80 Ų80142.2 Ų142.283%0.82583%0.829SS**PPolyproline II helixtrans-59139.7-177.100000113.9
213M38.4Very low45.1Very low186 Ų186140 Ų14092%0.91683%0.826SS**PPolyproline II helixtrans-72.7155.2-175-71174.761.500113.6
214L42.9Very low45.5Very low176 Ų176140 Ų14092%0.92183%0.825SS**PPolyproline II helixtrans-55.5139.4175.2-17266.8000111.9
215G48.3Very low46Very low65 Ų65140.9 Ų140.967%0.6782%0.824SS**PPolyproline II helixtrans-63.8156.3-178.100000114.4
216Q42.7Very low46.8Very low202 Ų202136.7 Ų136.794%0.94482%0.819SS**PPolyproline II helixtrans-60.5139.9178.4-91.5-177.5-2000112.3G218Q216-G218 PolarHBondContact O-N 3.11Å
217K44.9Very low47.2Very low199 Ų199136.9 Ų136.987%0.86582%0.821SS**PPolyproline II helixtrans-65.1117.9178176.9-178176.2-175.80110.7
218G52Low47.5Very low63 Ų63140 Ų14065%0.64982%0.822SS**PPolyproline II helixtrans-64.4154.2169.900000112.7Q216Q216-G218 PolarHBondContact O-N 3.11Å
219E44.5Very low47.9Very low200 Ų200137.3 Ų137.394%0.93582%0.82SS**PPolyproline II helixtrans-69.2153.4-179.3-62.5-174.2124.800112.3
220M45.9Very low48.1Very low183 Ų183137.6 Ų137.690%0.90182%0.823SS**  trans-90.4113.9-167.7-173156.658.200111.4
221G54Low48.3Very low57 Ų57136.3 Ų136.359%0.58883%0.825SS**  trans-62.7158.9173.900000113.2
222P51Low48.1Very low135 Ų135142.6 Ų142.688%0.87783%0.834SS**  trans-63145.9-175.625.7-34.4000112.7G224P222-G224 PolarHBondContact O-N 3.45Å
223K49.7Very low48.1Very low204 Ų204142.2 Ų142.289%0.88783%0.829SS**  trans-67.1116-176.3179.4-177.6175.8-174.20111.4
224G51.7Low48.5Very low62 Ų62139.3 Ų139.364%0.63982%0.824SS**PPolyproline II helixtrans-68.1157.5169.500000113.2P222P222-G224 PolarHBondContact O-N 3.45Å
225E51.3Low48.6Very low188 Ų188137.5 Ų137.588%0.87982%0.821SS**PPolyproline II helixtrans-74.5156.8-175.6-61.3-176.8134.300113G227E225-G227 PolarHBondContact O-N 3.2Å
226P59.6Low48.7Very low127 Ų127137.9 Ų137.983%0.82582%0.824SS**PPolyproline II helixtrans-66.2126.7-177.1-20.433.7000113.1
227G50.8Low48.8Very low78 Ų78139.5 Ų139.580%0.80482%0.822SS**PPolyproline II helixtrans-70.3137.317500000113.2E225E225-G227 PolarHBondContact O-N 3.2Å
228I52.7Low49.2Very low171 Ų171136.4 Ų136.488%0.87782%0.822SS**PPolyproline II helixtrans-62.4151.317452.6173.8000112.7
229S46Very low49.2Very low121 Ų121136.8 Ų136.885%0.84683%0.826SS**PPolyproline II helixtrans-60.2139.8-175.8-55.20000113.4
230G43.9Very low48.8Very low78 Ų78137.3 Ų137.380%0.80483%0.826SS**PPolyproline II helixtrans-78.1153.9-170.600000115.6
231N45.7Very low49Very low170 Ų170139.9 Ų139.991%0.90983%0.825SS**PPolyproline II helixtrans-95.4155.3175.1-82.2-50000113
232R47.5Very low48.9Very low250 Ų250140.8 Ų140.894%0.94384%0.835SS**PPolyproline II helixtrans-62.4126.6-172.4-162.9178.9-165.7165.43.1112.7
233G46.8Very low48.8Very low71 Ų71144.2 Ų144.273%0.73284%0.836SS**PPolyproline II helixtrans-75.7137.1-176.800000114.7
234P45.8Very low49.2Very low126 Ų126143.5 Ų143.582%0.81884%0.836SS**PPolyproline II helixtrans-98.2159.2173.336.5-33000114.2
235T46.4Very low49.4Very low138 Ų138144 Ų14485%0.84784%0.84SS**  trans-39.1134.2-176.4-440000117.1
236G49Very low49.5Very low72 Ų72144.2 Ų144.274%0.74284%0.841SS**  trans-67162175.600000115
237R46Very low49.5Very low237 Ų237147.9 Ų147.989%0.89484%0.844SS**  trans-130.3157-179-71.9-175.4173.2-169.5-2.9112.2
238P52.2Low49.8Very low133 Ų133147.2 Ų147.286%0.86484%0.838SS**  trans-68.7144.4-170-20.734000114.6
239G52.1Low49.8Very low72 Ų72146.9 Ų146.974%0.74284%0.838SS**  trans-80.1138.5-178.600000115.2
240K37.5Very low50.2Low211 Ų211149.1 Ų149.192%0.91784%0.839SS**  trans-172.3150.8163.2-91.4137-173.7-177.80105.6
241R49.7Very low50.7Low236 Ų236148.6 Ų148.689%0.89183%0.834SS**  cis-137.1158.5-3.1-171.1-177.5-164.31724.6106.1K243R241-K243 PolarHBondContact O-N 3.24Å
242G51Low51Low77 Ų77150.4 Ų150.479%0.79483%0.834SS**PPolyproline II helixtrans-55.2134.8178.900000112.5
243K48.8Very low51.5Low207 Ų207145 Ų14590%0.983%0.829SS**PPolyproline II helixtrans-67.3140.6176.9-68.3-176.4178.7-179.30109.9R241R241-K243 PolarHBondContact O-N 3.24Å
244Q58.2Low51.9Low189 Ų189144.1 Ų144.188%0.88382%0.819SS**PPolyproline II helixtrans-60.8137.2167.7-172.8172.55.500109.2
245G57Low52.1Low71 Ų71144.4 Ų144.473%0.73282%0.821SS**PPolyproline II helixtrans-60137.3178.700000111.2
246Q52.9Low52.7Low194 Ų194145.8 Ų145.891%0.90782%0.821SS**PPolyproline II helixtrans-66.2140.2173.8-69.3-178.5-10.500109.6G248Q246-G248 PolarHBondContact O-N 2.94Å
247K59.2Low53Low203 Ų203145 Ų14588%0.88381%0.813SS**PPolyproline II helixtrans-63.4124.7170.7-177.5-179.4178.8-177.60107.8
248G57.8Low53.4Low65 Ų65140 Ų14067%0.6781%0.812SS**PPolyproline II helixtrans-58.2144.5-178.200000112.5Q246Q246-G248 PolarHBondContact O-N 2.94Å
249D52Low53.7Low163 Ų163138.5 Ų138.587%0.87281%0.81SS**PPolyproline II helixtrans-58.5142.6-178.3-67.2-59.7000112.2G251D249-G251 PolarHBondContact O-N 3.37Å
250L54.1Low54Low169 Ų169138.1 Ų138.189%0.88581%0.806SS**PPolyproline II helixtrans-68.2124.2176.7-166.971.9000109.5K252L250-K252 PolarHBondContact O-N 3.01Å
251G55.3Low54.7Low66 Ų66134.4 Ų134.468%0.6880%0.804SS**PPolyproline II helixtrans-55.4131.2178.600000111.6D249 T253D249-G251 PolarHBondContact O-N 3.37Å; G251-T253 PolarHBondContact O-N 2.9Å
252K52.2Low55Low209 Ų209131.9 Ų131.991%0.90980%0.802SS**PPolyproline II helixtrans-60.4122.6-178.4-66-177.5179.7-179.80110.2L250 G254L250-K252 PolarHBondContact O-N 3.01Å; K252-G254 PolarHBondContact O-N 2.78Å
253T57.3Low55Low137 Ų137131.2 Ų131.284%0.8480%0.795SS**PPolyproline II helixtrans-54.5131.1174.1-45.50000110.2G251G251-T253 PolarHBondContact O-N 2.9Å
254G55.6Low55.1Low51 Ų51126.9 Ų126.953%0.52679%0.791SS.*PPolyproline II helixtrans-62.2152.1176.100000112K252 I256K252-G254 PolarHBondContact O-N 2.78Å; G254-I256 PolarHBondContact O-N 2.74Å
255P50.6Low55Low132 Ų132123.1 Ų123.186%0.85778%0.783SS**PPolyproline II helixtrans-61.8134.817826.7-34.1000110.7G257P255-G257 PolarHBondContact O-N 2.68Å
256I57.3Low54.6Low168 Ų168123.1 Ų123.186%0.86278%0.783SS**PPolyproline II helixtrans-64131175.9-61.3174.9000108.6G254G254-I256 PolarHBondContact O-N 2.74Å
257G57.3Low54.3Low55 Ų55122.9 Ų122.957%0.56778%0.781SS**PPolyproline II helixtrans-62.6149.4178.200000112.2P255P255-G257 PolarHBondContact O-N 2.68Å
258P53.3Low54.3Low133 Ų133119 Ų11986%0.86478%0.777SS**PPolyproline II helixtrans-61.7140.6179.526.9-34.6000111.1
259A59.4Low53.7Low100 Ų100118.9 Ų118.983%0.82678%0.776SS**PPolyproline II helixtrans-61.8140.9176.400000111.2
260G57.1Low53.5Low65 Ų65117.2 Ų117.267%0.6777%0.774SS**PPolyproline II helixtrans-62.6150.4176.100000112.3Q262G260-Q262 PolarHBondContact O-N 2.84Å
261P51.9Low53.5Low133 Ų133115.1 Ų115.186%0.86477%0.771SS**PPolyproline II helixtrans-63.5135.9179.626.9-34.3000111.2
262Q56.8Low53Low183 Ų183115.3 Ų115.386%0.85577%0.773SS**PPolyproline II helixtrans-65.9133.6176.7-176.8177.6-8.600110.7G260G260-Q262 PolarHBondContact O-N 2.84Å
263G51Low52.5Low63 Ų63113.7 Ų113.765%0.64977%0.773SS**PPolyproline II helixtrans-61.7144.1175.200000112.5
264S50.3Low51.9Low115 Ų115113 Ų11380%0.80477%0.771SS**PPolyproline II helixtrans-65130.7178.349.10000111.4
265P57.3Low51.5Low110 Ų110115.5 Ų115.571%0.71479%0.786SS**PPolyproline II helixtrans-57.3142.3171.9-24.534.5000112.1
266G47.7Very low51.3Low72 Ų72114.7 Ų114.774%0.74279%0.791SS**PPolyproline II helixtrans-64146.4173.300000111.9
267H47Very low50.4Low188 Ų188108.4 Ų108.487%0.8777%0.768SS**PPolyproline II helixtrans-70.3132.6179.6-61.8-53.5000111.4
268P58.2Low50Low123 Ų123114.4 Ų114.480%0.79979%0.786SS**PPolyproline II helixtrans-60.2147.5169-2334.2000112
269G45.1Very low49.2Very low62 Ų62117.6 Ų117.664%0.63978%0.782SS**PPolyproline II helixtrans-65.3155.1171.800000112.4
270P48.3Very low48.6Very low128 Ų128121.8 Ų121.883%0.83179%0.787SS**PPolyproline II helixtrans-65.9134.7179.827.4-34.2000111.4
271P54.3Low47.9Very low125 Ų125125.2 Ų125.281%0.81279%0.794SS**PPolyproline II helixtrans-62149.5172.5-23.634.5000112.8
272G44.7Very low47.8Very low70 Ų70121.7 Ų121.772%0.72278%0.782SS**PPolyproline II helixtrans-63.5151.8173.400000113
273L42.6Very low47.6Very low174 Ų174117.9 Ų117.991%0.91178%0.782SS**PPolyproline II helixtrans-66.4130.2179-71.4166.2000111
274P43.4Very low47.4Very low123 Ų123124.9 Ų124.980%0.79980%0.795SS**PPolyproline II helixtrans-73.4135.4175.829.8-33.8000111.1
275A47Very low47.4Very low103 Ų103122.5 Ų122.585%0.85179%0.788SS**PPolyproline II helixtrans-65.8139169.600000110.7G277A275-G277 PolarHBondContact O-N 3.13Å; A275-G277 VanDerWaalsContact O-N 3.17Å
276A47.5Very low46.8Very low115 Ų115122.1 Ų122.195%0.9579%0.794SS**  trans-78.6100.3-178.400000111.5
277G38.7Very low46.8Very low37 Ų37130.6 Ų130.638%0.38180%0.804SS.*  trans-119.6114.2175.400000112.5A275 Y279A275-G277 PolarHBondContact O-N 3.13Å; A275-G277 VanDerWaalsContact O-N 3.17Å; G277-Y279 PolarHBondContact O-N 3.17Å
278L48.2Very low46.5Very low181 Ų181124.2 Ų124.295%0.94879%0.788SS**  trans-85.794.8174.5-80.4168.2000110.6
279Y37.5Very low45.8Very low200 Ų200124.1 Ų124.178%0.78479%0.788SS**  trans-103.984.7175.6-48.6-64.5000111.1G277 V281G277-Y279 PolarHBondContact O-N 3.17Å; Y279-V281 PolarHBondContact O-N 3.35Å
280M45Very low45.8Very low187 Ų187127.3 Ų127.392%0.92180%0.797SS**  trans-74.4102.4167.7-170.2-176.5-60.100108.4G282M280-G282 PolarHBondContact O-N 3.34Å
281V43.1Very low45.2Very low138 Ų138124.2 Ų124.284%0.83679%0.789SS**  trans-68.498.5179.7-1780000109.3Y279Y279-V281 PolarHBondContact O-N 3.35Å
282G51Low44.6Very low58 Ų58124 Ų12460%0.59879%0.788SS**  trans-62.6154.4174.400000112.1M280 K284M280-G282 PolarHBondContact O-N 3.34Å; G282-K284 PolarHBondContact O-N 3.34Å
283A50.9Low44.5Very low104 Ų104126.6 Ų126.686%0.8679%0.792SS**  trans-56.9138.5177.500000111.2G285A283-G285 PolarHBondContact O-N 2.94Å
284K48.3Very low44.1Very low210 Ų210121.7 Ų121.791%0.91378%0.783SS**  trans-53.2114.2-176.7-177.2177.9-178.6176.40110.8G282G282-K284 PolarHBondContact O-N 3.34Å
285G49.2Very low43.7Very low65 Ų65124 Ų12467%0.6779%0.789SS**PPolyproline II helixtrans-56.6146.1-179.400000112.7A283A283-G285 PolarHBondContact O-N 2.94Å
286A46.1Very low43Very low102 Ų102124.5 Ų124.584%0.84379%0.785SS**PPolyproline II helixtrans-59.2147174.600000110.7G288A286-G288 PolarHBondContact O-N 2.78Å; A286-G288 VanDerWaalsContact O-N 3.14Å
287R46.5Very low42.4Very low250 Ų250122.6 Ų122.694%0.94378%0.776SS**PPolyproline II helixtrans-59.8119.4177.2-170.4-179.8-170.3176.63.3108.7
288G40.8Very low42.4Very low53 Ų53126.8 Ų126.855%0.54680%0.798SS.*PPolyproline II helixtrans-57.2152.8177.400000111.8A286A286-G288 PolarHBondContact O-N 2.78Å; A286-G288 VanDerWaalsContact O-N 3.14Å
289P42.9Very low41.8Very low121 Ų121123.6 Ų123.679%0.78679%0.791SS**PPolyproline II helixtrans-58.9153.9174.927.3-35000110.4G291P289-G291 PolarHBondContact O-N 2.74Å
290P45.7Very low41.8Very low129 Ų129119.6 Ų119.684%0.83879%0.792SS**PPolyproline II helixtrans-52.4132.5173.4-24.634.4000110.8
291G36.3Very low41.8Very low63 Ų63119.2 Ų119.265%0.64979%0.793SS**PPolyproline II helixtrans-59.8148.7174.500000111P289P289-G291 PolarHBondContact O-N 2.74Å
292P40.4Very low41.4Very low122 Ų122117.9 Ų117.979%0.79279%0.79SS**PPolyproline II helixtrans-58.3144.3175.726.4-34.4000110.1G294P292-G294 PolarHBondContact O-N 2.91Å
293P42.5Very low41.2Very low124 Ų124121.7 Ų121.781%0.80580%0.802SS**PPolyproline II helixtrans-59.2131.7-179.224.5-33.7000110.7N295P293-N295 PolarHBondContact O-N 3.47Å
294G34.3Very low40.4Very low71 Ų71121.6 Ų121.673%0.73280%0.795SS**PPolyproline II helixtrans-60.9127.6-179.400000111.6P292 C296P292-G294 PolarHBondContact O-N 2.91Å; G294-C296 PolarHBondContact O-N 3.36Å
295N35.9Very low40.2Very low171 Ų171117.4 Ų117.491%0.91479%0.789SS**  trans-91.896.8-172.4-146.628.8000110.5P293 G297P293-N295 PolarHBondContact O-N 3.47Å; N295-G297 PolarHBondContact O-N 3.07Å
296C32.1Very low39.7Very low114 Ų114123.4 Ų123.477%0.7780%0.797SS**  trans-75.8104.7179.3-62.30000111.1G294 C298G294-C296 PolarHBondContact O-N 3.36Å; C296-C298 PolarHBondContact O-N 3.23Å; C296-C298 VanDerWaalsContact O-N 3.1Å
297G35.3Very low39.1Very low74 Ų74126.2 Ų126.276%0.76380%0.798SS**  trans-79.183.5-178.700000114.2N295 S299N295-G297 PolarHBondContact O-N 3.07Å; G297-S299 VanDerWaalsContact C-N 3.32Å; G297-S299 PolarHBondContact O-N 3.33Å
298C38.7Very low38.6Very low126 Ų126121.9 Ų121.985%0.85179%0.793SS**  trans-79.171174.2-65.70000112.5C296C296-C298 PolarHBondContact O-N 3.23Å; C296-C298 VanDerWaalsContact O-N 3.1Å
299S36.3Very low38.5Very low114 Ų114130.3 Ų130.380%0.79781%0.81SS**  trans-141.957.9-176.3-65.60000115.7G297G297-S299 VanDerWaalsContact C-N 3.32Å; G297-S299 PolarHBondContact O-N 3.33Å
300S35.8Very low38Very low116 Ų116128.2 Ų128.281%0.81180%0.803SS**  trans-172.9138.413850.40000112
301L46.4Very low37.8Very low179 Ų179130 Ų13094%0.93781%0.805SS**  trans-86.6112.7170.5-76.1156.8000108.9
302S34.8Very low37.9Very low109 Ų109132.2 Ų132.276%0.76281%0.806SS**  trans-112.3106163.459.70000108.9S304S302-S304 PolarHBondContact O-N 3.32Å
303T45.6Very low37.6Very low139 Ų139128.1 Ų128.185%0.85379%0.787SS**  trans-65.3119.1-171.345.30000113.8
304S34.4Very low37.4Very low102 Ų102128.2 Ų128.271%0.71379%0.79SS**  trans-117.8121.1159.551.10000108.9S302 F306S302-S304 PolarHBondContact O-N 3.32Å; S304-F306 PolarHBondContact O-N 3.08Å; S304-F306 VanDerWaalsContact O-N 3.11Å
305P43.4Very low37.7Very low121 Ų121134.2 Ų134.279%0.78679%0.792SS**  trans-92.546.2-156.937.8-39.7000115.2
306F39.6Very low38.2Very low191 Ų191131.2 Ų131.284%0.83878%0.782SS**  trans-150.8103.3171.5-89.4-77.6000110.9S304S304-F306 PolarHBondContact O-N 3.08Å; S304-F306 VanDerWaalsContact O-N 3.11Å
307D32.7Very low39.2Very low162 Ų162135.1 Ų135.187%0.86679%0.786SS**  trans179.273.6148.7-96.7-23.2000109.7Y309D307-Y309 VanDerWaalsContact C-N 3.27Å; D307-Y309 PolarHBondContact O-N 2.68Å; D307-Y309 VanDerWaalsContact O-N 3.15Å
308D36.2Very low39.8Very low158 Ų158138.4 Ų138.485%0.84579%0.791SS**  trans-89.450.7-176.6-162.417.1000112.6
309Y38.5Very low40.7Very low231 Ų231134.7 Ų134.791%0.90677%0.766SS**  trans-146.456.8178.3-90.8-71.6000112.5D307D307-Y309 VanDerWaalsContact C-N 3.27Å; D307-Y309 PolarHBondContact O-N 2.68Å; D307-Y309 VanDerWaalsContact O-N 3.15Å
310A34Very low42.2Very low76 Ų76134.3 Ų134.363%0.62876%0.758SS**  trans-139.747.2-179.500000115.1T312A310-T312 PolarHBondContact O-N 2.94Å; A310-T312 VanDerWaalsContact O-N 3.08Å
311N41.2Very low44.4Very low166 Ų166133.5 Ų133.589%0.88874%0.744SS**  trans-79.747.5153.4-164.215.4000110.9G313N311-G313 PolarHBondContact O-N 3.12Å; N311-G313 VanDerWaalsContact O-N 3.07Å
312T37.6Very low46.3Very low110 Ų110128 Ų12868%0.67571%0.712SS**  trans-68.999.4163.944.70000107.1A310A310-T312 PolarHBondContact O-N 2.94Å; A310-T312 VanDerWaalsContact O-N 3.08Å
313G34.7Very low48.9Very low37 Ų37126.9 Ų126.938%0.38170%0.7SS.*  trans-50.2151.917200000111N311 Y315N311-G313 PolarHBondContact O-N 3.12Å; N311-G313 VanDerWaalsContact O-N 3.07Å; G313-Y315 WeakPolarHBondContact O-CD2 3.11Å; G313-Y315 PolarHBondContact O-N 2.9Å
314S37.7Very low51Low126 Ų126120.7 Ų120.788%0.88166%0.662SS**  trans-71.678.7-175.4-162.80000111.3P316S314-P316 WeakPolarHBondContact O-CD 3.2Å
315Y41.4Very low53.5Low196 Ų196118.1 Ų118.177%0.76965%0.645SS**  trans-64.8117170-63.3-71.7000108.2G313 K317G313-Y315 WeakPolarHBondContact O-CD2 3.11Å; G313-Y315 PolarHBondContact O-N 2.9Å; Y315-K317 PolarHBondContact O-N 2.79Å; Y315-K317 VanDerWaalsContact O-N 3.07Å
316P45.3Very low55.7Low109 Ų109115 Ų11571%0.70862%0.621SS**  trans-65.2115.9177.426.6-32.7000108.9S314S314-P316 WeakPolarHBondContact O-CD 3.2Å
317K53Low58.1Low195 Ų195110.8 Ų110.885%0.84860%0.604SS**SBendtrans21.2115165.2-63.1178.2-178.5177.10116.2Y315Y315-K317 PolarHBondContact O-N 2.79Å; Y315-K317 VanDerWaalsContact O-N 3.07Å
318V48.9Very low60.7Low143 Ų143107.9 Ų107.987%0.86759%0.585SS**  trans-27.1116.9172.2-177.10000111.8
319P56.2Low63.2Low49 Ų49103.9 Ų103.932%0.31856%0.562SS.*  trans-65.4146.3-169.626.5-35.4000111.3I321 N337 L339P319-I321 PolarHBondContact O-N 3.4Å; P319-N337 VanDerWaalsContact CB-O 3.28Å; P319-N337 WeakPolarHBondContact CB-O 3.5Å; P319-N337 WeakPolarHBondContact CG-O 3.12Å; P319-L339 HydrophobicContact CG-CD1 4.31Å; P319-L339 HydrophobicContact CG-CG 4.37Å
320V68.3Low65.5Low105 Ų10593.1 Ų93.164%0.63652%0.52SS*.  trans-60.5125172177.20000108.4F322V320-F322 HydrophobicContact CB-CE2 4.39Å; V320-F322 HydrophobicContact CB-CZ 4.41Å; V320-F322 HydrophobicContact CG1-CZ 4.47Å; V320-F322 VanDerWaalsContact O-CD2 3.27Å; V320-F322 WeakPolarHBondContact O-CD2 3.4Å; V320-F322 WeakPolarHBondContact O-CE2 3.42Å; V320-F322 PolarHBondContact O-N 2.95Å
321I82.2Confident68.1Low100 Ų10096.2 Ų96.251%0.51352%0.521SS..EExtended strand (participates in β ladder)trans-78.2110.5173.5-54.9177.7000107.9P319 L339 L348P319-I321 PolarHBondContact O-N 3.4Å; I321-L339 WeakPolarHBondContact CA-O 3.34Å; I321-L339 HydrophobicContact CG1-CB 4.17Å; I321-L339 HydrophobicContact CG1-CD1 4.35Å; I321-L339 HydrophobicContact CG2-CB 4.5Å; I321-L348 HydrophobicContact CG2-CD1 4.36Å
322F86.7Confident70.2Confident63 Ų6395.5 Ų95.528%0.27651%0.506SS..EExtended strand (participates in β ladder)trans-76.4152.1172.9-63.1-85.6000110.4V320 L333 T335 A338 L339 A340 F341V320-F322 HydrophobicContact CB-CE2 4.39Å; V320-F322 HydrophobicContact CB-CZ 4.41Å; V320-F322 HydrophobicContact CG1-CZ 4.47Å; V320-F322 VanDerWaalsContact O-CD2 3.27Å; V320-F322 WeakPolarHBondContact O-CD2 3.4Å; V320-F322 WeakPolarHBondContact O-CE2 3.42Å; V320-F322 PolarHBondContact O-N 2.95Å; F322-L333 HydrophobicContact CB-CD1 3.59Å; F322-L333 HydrophobicContact CB-CD2 4.39Å; F322-L333 HydrophobicContact CD1-CD1 4.36Å; F322-L333 HydrophobicContact CD1-CD2 3.62Å; F322-L333 HydrophobicContact CD2-CD1 4.23Å; F322-L333 HydrophobicContact CD2-CD2 4.47Å; F322-L333 HydrophobicContact CE1-CD2 3.98Å; F322-L333 HydrophobicContact CG-CD1 3.81Å; F322-L333 HydrophobicContact CG-CD2 3.9Å; F322-T335 HydrophobicContact CE2-CG2 4.19Å; F322-T335 HydrophobicContact CZ-CG2 3.86Å; F322-A338 HydrophobicContact CD2-CB 4.22Å; F322-A338 HydrophobicContact CE2-CB 4.04Å; F322-L339 PolarHBondContact N-O 2.91Å; F322-A340 HydrophobicContact CB-CB 4.14Å; F322-A340 CarbonylContact O-C 3.35Å; F322-A340 WeakPolarHBondContact O-CA 3.47Å; F322-F341 PolarHBondContact O-N 2.82Å
323V89.3Confident72.5Confident85 Ų8591.7 Ų91.752%0.51548%0.481SS..EExtended strand (participates in β ladder)trans-128.1104.7178.4-179.90000108.5F341 K343V323-F341 HydrophobicContact CG1-CD1 4.46Å; V323-K343 HydrophobicContact CG1-CD 4.32Å; V323-K343 HydrophobicContact CG1-CG 4.19Å
324V89.8Confident74.5Confident9 Ų998.1 Ų98.16%0.05550%0.501CS..EExtended strand (participates in β ladder)trans-111.5154.4-172-67.30000111.6E329 L330 L333 A340 F341 R342 K343V324-E329 HydrophobicContact CB-CB 3.79Å; V324-E329 HydrophobicContact CG1-CB 3.92Å; V324-L330 HydrophobicContact CG2-CB 4.17Å; V324-L330 HydrophobicContact CG2-CD1 4.15Å; V324-L333 HydrophobicContact CG1-CD1 3.72Å; V324-L333 HydrophobicContact CG1-CG 4.43Å; V324-A340 HydrophobicContact CG2-CB 4.46Å; V324-F341 PolarHBondContact N-O 2.83Å; V324-R342 HydrophobicContact CG2-CG 3.63Å; V324-K343 WeakPolarHBondContact O-CG 3.36Å; V324-K343 PolarHBondContact O-N 3.3Å
325S87.8Confident76.4Confident49 Ų4994.3 Ų94.334%0.34347%0.473SS..SBendtrans-96.1-26.1-169.8-43.10000113E329S325-E329 WeakPolarHBondContact CB-OE2 3.18Å; S325-E329 PolarHBondContact N-OE2 3.06Å; S325-E329 PolarHBondContact OG-OE1 3.12Å; S325-E329 PolarHBondContact OG-OE2 2.93Å
326N89.4Confident77.9Confident54 Ų5491 Ų9129%0.28947%0.468SS..SBendtrans-156.4-179-176.560.427.4000111.1E328 E329 L330N326-E328 PolarHBondContact OD1-N 2.92Å; N326-E329 WeakPolarHBondContact OD1-CB 3.44Å; N326-E329 WeakPolarHBondContact OD1-CG 3.28Å; N326-E329 PolarHBondContact OD1-N 3.33Å; N326-L330 PolarHBondContact O-N 3.18Å
327E88.6Confident79.1Confident103 Ų10390.4 Ų90.448%0.48146%0.459SS..Hα-helixtrans-63-42178.5-149.9142.8138.600113E329 L330 E331 R342E327-E329 VanDerWaalsContact C-N 3.33Å; E327-E329 PolarHBondContact O-N 3.18Å; E327-L330 WeakPolarHBondContact O-CA 3.44Å; E327-L330 VanDerWaalsContact O-CB 3.28Å; E327-L330 WeakPolarHBondContact O-CB 3.44Å; E327-L330 PolarHBondContact O-N 2.83Å; E327-E331 PolarHBondContact O-N 3.35Å; E327-R342 VanDerWaalsContact CD-NH1 3.28Å; E327-R342 IonicContact OE2-CZ 3.21Å; E327-R342 IonicContact OE2-NH1 2.78Å; E327-R342 PolarHBondContact OE2-NH1 2.88Å; E327-R342 IonicContact OE2-NH2 3.18Å; E327-R342 PolarHBondContact OE2-NH2 2.86Å
328E88.4Confident80.4Confident101 Ų10181.2 Ų81.247%0.47242%0.42SS..Hα-helixtrans-64.5-36.5-178.7-49.2178.6-171.100112.6N326 L330 R332N326-E328 PolarHBondContact OD1-N 2.92Å; E328-L330 VanDerWaalsContact C-N 3.29Å; E328-R332 WeakPolarHBondContact O-CB 3.33Å; E328-R332 WeakPolarHBondContact O-CD 3.16Å; E328-R332 WeakPolarHBondContact O-CG 3.46Å; E328-R332 PolarHBondContact O-N 3.44Å; E328-R332 VanDerWaalsContact O-N 3.1Å; E328-R332 IonicContact OE2-CZ 2.68Å; E328-R332 IonicContact OE2-NH1 2.94Å; E328-R332 PolarHBondContact OE2-NH1 3.36Å; E328-R332 IonicContact OE2-NH2 3.34Å; E328-R332 PolarHBondContact OE2-NH2 3.35Å
329E88.3Confident82.3Confident74 Ų7476.1 Ų76.135%0.34639%0.388SS..Hα-helixtrans-67.9-29.8173.2-77.4178.5-163.200111.8V324 S325 N326 E327V324-E329 HydrophobicContact CB-CB 3.79Å; V324-E329 HydrophobicContact CG1-CB 3.92Å; S325-E329 WeakPolarHBondContact CB-OE2 3.18Å; S325-E329 PolarHBondContact N-OE2 3.06Å; S325-E329 PolarHBondContact OG-OE1 3.12Å; S325-E329 PolarHBondContact OG-OE2 2.93Å; N326-E329 WeakPolarHBondContact OD1-CB 3.44Å; N326-E329 WeakPolarHBondContact OD1-CG 3.28Å; N326-E329 PolarHBondContact OD1-N 3.33Å; E327-E329 VanDerWaalsContact C-N 3.33Å; E327-E329 PolarHBondContact O-N 3.18Å
330L87.7Confident83.8Confident6 Ų673.8 Ų73.83%0.03137%0.372CS..Hα-helixtrans-70.6-47.5173.8-174.465000111.3V324 N326 E327 E328 R332 L333 A340 R342 Y349 W356V324-L330 HydrophobicContact CG2-CB 4.17Å; V324-L330 HydrophobicContact CG2-CD1 4.15Å; N326-L330 PolarHBondContact O-N 3.18Å; E327-L330 WeakPolarHBondContact O-CA 3.44Å; E327-L330 VanDerWaalsContact O-CB 3.28Å; E327-L330 WeakPolarHBondContact O-CB 3.44Å; E327-L330 PolarHBondContact O-N 2.83Å; E328-L330 VanDerWaalsContact C-N 3.29Å; L330-R332 VanDerWaalsContact C-N 3.27Å; L330-R332 PolarHBondContact O-N 2.89Å; L330-L333 WeakPolarHBondContact O-CB 3.5Å; L330-L333 PolarHBondContact O-N 3.27Å; L330-A340 HydrophobicContact CD1-CB 3.38Å; L330-R342 HydrophobicContact CD2-CG 4.36Å; L330-Y349 HydrophobicContact CD2-CD1 3.93Å; L330-Y349 HydrophobicContact CD2-CD2 4.25Å; L330-Y349 HydrophobicContact CD2-CE1 4.35Å; L330-Y349 HydrophobicContact CD2-CG 3.88Å; L330-W356 HydrophobicContact CD1-CD2 3.5Å; L330-W356 HydrophobicContact CD1-CE3 3.73Å; L330-W356 HydrophobicContact CD1-CG 4.02Å; L330-W356 HydrophobicContact CD1-CH2 4Å; L330-W356 HydrophobicContact CD1-CZ2 3.81Å; L330-W356 HydrophobicContact CD1-CZ3 3.96Å; L330-W356 HydrophobicContact CD2-CB 3.98Å; L330-W356 HydrophobicContact CD2-CD2 4.26Å; L330-W356 HydrophobicContact CD2-CG 3.94Å; L330-W356 HydrophobicContact CG-CB 4.34Å; L330-W356 HydrophobicContact CG-CD2 3.81Å; L330-W356 HydrophobicContact CG-CE3 4.45Å; L330-W356 HydrophobicContact CG-CG 3.75Å; L330-W356 PolarHBondContact O-NE1 2.91Å
331E86.8Confident84.8Confident140 Ų14071.9 Ų71.965%0.65436%0.356SS*.Hα-helixtrans-62.9-32.6177.3-68.1-173.4144.800112.8E327 L333E327-E331 PolarHBondContact O-N 3.35Å; E331-L333 PolarHBondContact O-N 3.3Å
332R86.8Confident85.2Confident151 Ų15167.5 Ų67.557%0.5733%0.333SS*.THydrogen-bonded Turntrans-68.6-11.3176.9-73.7163.8-172.6137.47.7114E328 L330 H334E328-R332 WeakPolarHBondContact O-CB 3.33Å; E328-R332 WeakPolarHBondContact O-CD 3.16Å; E328-R332 WeakPolarHBondContact O-CG 3.46Å; E328-R332 PolarHBondContact O-N 3.44Å; E328-R332 VanDerWaalsContact O-N 3.1Å; E328-R332 IonicContact OE2-CZ 2.68Å; E328-R332 IonicContact OE2-NH1 2.94Å; E328-R332 PolarHBondContact OE2-NH1 3.36Å; E328-R332 IonicContact OE2-NH2 3.34Å; E328-R332 PolarHBondContact OE2-NH2 3.35Å; L330-R332 VanDerWaalsContact C-N 3.27Å; L330-R332 PolarHBondContact O-N 2.89Å; R332-H334 PolarHBondContact O-N 3.49Å; R332-H334 VanDerWaalsContact O-N 3.13Å; R332-H334 PolarHBondContact O-ND1 2.83Å
333L84.3Confident85.1Confident30 Ų3069.8 Ų69.816%0.15734%0.343CS..  trans-8091.8178.2-72.2173.5000112.2F322 V324 L330 E331 T335 A340 W356F322-L333 HydrophobicContact CB-CD1 3.59Å; F322-L333 HydrophobicContact CB-CD2 4.39Å; F322-L333 HydrophobicContact CD1-CD1 4.36Å; F322-L333 HydrophobicContact CD1-CD2 3.62Å; F322-L333 HydrophobicContact CD2-CD1 4.23Å; F322-L333 HydrophobicContact CD2-CD2 4.47Å; F322-L333 HydrophobicContact CE1-CD2 3.98Å; F322-L333 HydrophobicContact CG-CD1 3.81Å; F322-L333 HydrophobicContact CG-CD2 3.9Å; V324-L333 HydrophobicContact CG1-CD1 3.72Å; V324-L333 HydrophobicContact CG1-CG 4.43Å; L330-L333 WeakPolarHBondContact O-CB 3.5Å; L330-L333 PolarHBondContact O-N 3.27Å; E331-L333 PolarHBondContact O-N 3.3Å; L333-T335 PolarHBondContact O-N 3.43Å; L333-A340 HydrophobicContact CD1-CB 4.01Å; L333-W356 HydrophobicContact CB-CZ2 3.74Å; L333-W356 HydrophobicContact CD1-CH2 4.27Å; L333-W356 HydrophobicContact CD1-CZ2 4.03Å
334H77.7Confident85Confident173 Ų17369.5 Ų69.580%0.80134%0.338SS*.  trans-77.951.4176.1-64.169.5000111.9R332R332-H334 PolarHBondContact O-N 3.49Å; R332-H334 VanDerWaalsContact O-N 3.13Å; R332-H334 PolarHBondContact O-ND1 2.83Å
335T77Confident84.7Confident46 Ų4673.2 Ų73.228%0.28236%0.355SS..  trans-130118.3-175.751.10000110.9F322 L333 A338 K351F322-T335 HydrophobicContact CE2-CG2 4.19Å; F322-T335 HydrophobicContact CZ-CG2 3.86Å; L333-T335 PolarHBondContact O-N 3.43Å; T335-A338 VanDerWaalsContact O-CB 3.29Å; T335-A338 WeakPolarHBondContact O-CB 3.43Å; T335-A338 WeakPolarHBondContact OG1-CB 3.4Å; T335-K351 WeakPolarHBondContact O-CD 3.4Å
336D72.6Confident84.5Confident125 Ų12578.3 Ų78.367%0.66837%0.371SS*.THydrogen-bonded Turntrans-86.6153.2-176.2-50.7-41.8000111.9A338 K351D336-A338 PolarHBondContact O-N 3.4Å; D336-K351 IonicContact OD1-NZ 2.74Å; D336-K351 PolarHBondContact OD1-NZ 3.1Å
337N72Confident84.2Confident97 Ų9777.7 Ų77.752%0.51937%0.369SS..THydrogen-bonded Turntrans54.329.2-171.1-59.5-22.8000113.8P319 K351P319-N337 VanDerWaalsContact CB-O 3.28Å; P319-N337 WeakPolarHBondContact CB-O 3.5Å; P319-N337 WeakPolarHBondContact CG-O 3.12Å; N337-K351 PolarHBondContact N-O 3.09Å
338A80.7Confident84.1Confident3 Ų374.2 Ų74.23%0.02535%0.353CS..  trans-90.7154.2-175.900000112.9F322 T335 D336 F350 K351 W356F322-A338 HydrophobicContact CD2-CB 4.22Å; F322-A338 HydrophobicContact CE2-CB 4.04Å; T335-A338 VanDerWaalsContact O-CB 3.29Å; T335-A338 WeakPolarHBondContact O-CB 3.43Å; T335-A338 WeakPolarHBondContact OG1-CB 3.4Å; D336-A338 PolarHBondContact O-N 3.4Å; A338-F350 WeakPolarHBondContact O-CA 3.41Å; A338-K351 PolarHBondContact O-N 3.17Å; A338-W356 HydrophobicContact CB-CH2 3.88Å
339L87.4Confident84.1Confident36 Ų3670.8 Ų70.819%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-108.5137.5167.8-73.7169.5000109.4P319 I321 F322 L348 Y349 F350 I359P319-L339 HydrophobicContact CG-CD1 4.31Å; P319-L339 HydrophobicContact CG-CG 4.37Å; I321-L339 WeakPolarHBondContact CA-O 3.34Å; I321-L339 HydrophobicContact CG1-CB 4.17Å; I321-L339 HydrophobicContact CG1-CD1 4.35Å; I321-L339 HydrophobicContact CG2-CB 4.5Å; F322-L339 PolarHBondContact N-O 2.91Å; L339-L348 HydrophobicContact CD2-CD2 4.36Å; L339-L348 HydrophobicContact CD2-CG 4.43Å; L339-Y349 CarbonylContact C-O 3.54Å; L339-Y349 WeakPolarHBondContact CA-O 3.34Å; L339-F350 HydrophobicContact CD2-CB 4.03Å; L339-F350 HydrophobicContact CD2-CD2 4.02Å; L339-I359 HydrophobicContact CD2-CD1 3.8Å
340A88.8Confident84Confident0 Ų070.4 Ų70.40%033%0.334CS..EExtended strand (participates in β ladder)trans-138.9126.9178.100000111.5F322 V324 L330 L333 Y349 W356F322-A340 HydrophobicContact CB-CB 4.14Å; F322-A340 CarbonylContact O-C 3.35Å; F322-A340 WeakPolarHBondContact O-CA 3.47Å; V324-A340 HydrophobicContact CG2-CB 4.46Å; L330-A340 HydrophobicContact CD1-CB 3.38Å; L333-A340 HydrophobicContact CD1-CB 4.01Å; A340-Y349 PolarHBondContact N-O 2.99Å; A340-Y349 PolarHBondContact O-N 2.93Å; A340-W356 HydrophobicContact CB-CE3 4.42Å; A340-W356 HydrophobicContact CB-CH2 3.54Å; A340-W356 HydrophobicContact CB-CZ2 4.36Å; A340-W356 HydrophobicContact CB-CZ3 3.57Å
341F89.1Confident83.8Confident65 Ų6572 Ų7229%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-93.3122.1174.4-179.2-98.1000110.6F322 V323 V324 K346 L348F322-F341 PolarHBondContact O-N 2.82Å; V323-F341 HydrophobicContact CG1-CD1 4.46Å; V324-F341 PolarHBondContact N-O 2.83Å; F341-K346 WeakPolarHBondContact CE2-O 3.37Å; F341-K346 HydrophobicContact CZ-CB 4.18Å; F341-L348 HydrophobicContact CB-CD1 4.1Å
342R90.3Very high83.4Confident8 Ų868.3 Ų68.33%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-89.6115.5175.6-97.7-177.273.616713.1111.1V324 E327 L330 D344 Q345 K346 T347 Y349V324-R342 HydrophobicContact CG2-CG 3.63Å; E327-R342 VanDerWaalsContact CD-NH1 3.28Å; E327-R342 IonicContact OE2-CZ 3.21Å; E327-R342 IonicContact OE2-NH1 2.78Å; E327-R342 PolarHBondContact OE2-NH1 2.88Å; E327-R342 IonicContact OE2-NH2 3.18Å; E327-R342 PolarHBondContact OE2-NH2 2.86Å; L330-R342 HydrophobicContact CD2-CG 4.36Å; R342-D344 WeakPolarHBondContact CB-OD1 3.29Å; R342-D344 IonicContact CZ-OD1 2.83Å; R342-D344 IonicContact CZ-OD2 2.71Å; R342-D344 IonicContact NE-OD1 2.72Å; R342-D344 PolarHBondContact NE-OD1 3.07Å; R342-D344 IonicContact NE-OD2 2.68Å; R342-D344 PolarHBondContact NE-OD2 3.31Å; R342-D344 IonicContact NH2-OD1 3.81Å; R342-D344 IonicContact NH2-OD2 3.43Å; R342-D344 PolarHBondContact NH2-OD2 3.27Å; R342-Q345 VanDerWaalsContact NH1-OE1 3.17Å; R342-K346 WeakPolarHBondContact O-CA 3.42Å; R342-K346 PolarHBondContact O-N 2.95Å; R342-T347 PolarHBondContact N-O 2.8Å; R342-T347 PolarHBondContact O-N 3.22Å; R342-Y349 HydrophobicContact CB-CD2 4.27Å; R342-Y349 HydrophobicContact CB-CE2 4.18Å; R342-Y349 HydrophobicContact CG-CD2 4.3Å; R342-Y349 HydrophobicContact CG-CE2 4.31Å
343K85.5Confident82.9Confident111 Ų11167.3 Ų67.348%0.48334%0.336SS..THydrogen-bonded Turntrans-65.8-36.3-179.7-73.4165.9171.2148.20113.6V323 V324V323-K343 HydrophobicContact CG1-CD 4.32Å; V323-K343 HydrophobicContact CG1-CG 4.19Å; V324-K343 WeakPolarHBondContact O-CG 3.36Å; V324-K343 PolarHBondContact O-N 3.3Å
344D85.8Confident82.5Confident79 Ų7973.3 Ų73.342%0.42237%0.368SS..THydrogen-bonded Turntrans-65.6-46.3-178.658.3-25.5000111.9R342R342-D344 WeakPolarHBondContact CB-OD1 3.29Å; R342-D344 IonicContact CZ-OD1 2.83Å; R342-D344 IonicContact CZ-OD2 2.71Å; R342-D344 IonicContact NE-OD1 2.72Å; R342-D344 PolarHBondContact NE-OD1 3.07Å; R342-D344 IonicContact NE-OD2 2.68Å; R342-D344 PolarHBondContact NE-OD2 3.31Å; R342-D344 IonicContact NH2-OD1 3.81Å; R342-D344 IonicContact NH2-OD2 3.43Å; R342-D344 PolarHBondContact NH2-OD2 3.27Å
345Q83.6Confident82.7Confident87 Ų8766.2 Ų66.241%0.40734%0.341SS..THydrogen-bonded Turntrans-95.7-8.2-179.2-67.9173.7-15.400113.6R342 T347 Y349R342-Q345 VanDerWaalsContact NH1-OE1 3.17Å; Q345-T347 PolarHBondContact O-N 3.39Å; Q345-T347 PolarHBondContact O-OG1 3.06Å; Q345-T347 VanDerWaalsContact O-OG1 3.12Å; Q345-Y349 PolarHBondContact OE1-OH 3.14Å
346K84.4Confident83.1Confident156 Ų15666.1 Ų66.168%0.67834%0.336SS*.THydrogen-bonded Turntrans5328.5-173.5-57.1-177.2-178.8-178.80113.7F341 R342F341-K346 WeakPolarHBondContact CE2-O 3.37Å; F341-K346 HydrophobicContact CZ-CB 4.18Å; R342-K346 WeakPolarHBondContact O-CA 3.42Å; R342-K346 PolarHBondContact O-N 2.95Å
347T82.6Confident83.7Confident41 Ų4164.4 Ų64.425%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-111.6141.9-174.9-58.60000110.1R342 Q345 Y349 P358R342-T347 PolarHBondContact N-O 2.8Å; R342-T347 PolarHBondContact O-N 3.22Å; Q345-T347 PolarHBondContact O-N 3.39Å; Q345-T347 PolarHBondContact O-OG1 3.06Å; Q345-T347 VanDerWaalsContact O-OG1 3.12Å; T347-Y349 HydrophobicContact CG2-CD2 4.27Å; T347-Y349 HydrophobicContact CG2-CE2 3.81Å; T347-P358 HydrophobicContact CG2-CB 4.09Å
348L87.3Confident84.4Confident29 Ų2963.3 Ų63.315%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-88.3135173.2-171.968.5000109.5I321 L339 F341 I359 M361I321-L348 HydrophobicContact CG2-CD1 4.36Å; L339-L348 HydrophobicContact CD2-CD2 4.36Å; L339-L348 HydrophobicContact CD2-CG 4.43Å; F341-L348 HydrophobicContact CB-CD1 4.1Å; L348-I359 HydrophobicContact CB-CB 4.48Å; L348-I359 HydrophobicContact CD2-CD1 3.87Å; L348-I359 HydrophobicContact CG-CD1 4.06Å; L348-I359 WeakPolarHBondContact O-CB 3.41Å; L348-I359 PolarHBondContact O-N 3.21Å; L348-M361 HydrophobicContact CB-CE 3.76Å; L348-M361 HydrophobicContact CB-SD 4.49Å; L348-M361 HydrophobicContact CD2-CE 4.01Å
349Y86.6Confident84.5Confident29 Ų2966.4 Ų66.411%0.11434%0.34CS..EExtended strand (participates in β ladder)trans-117145.4178.5-77.2-100.1000110.4L330 L339 A340 R342 Q345 T347 W356 L357 P358L330-Y349 HydrophobicContact CD2-CD1 3.93Å; L330-Y349 HydrophobicContact CD2-CD2 4.25Å; L330-Y349 HydrophobicContact CD2-CE1 4.35Å; L330-Y349 HydrophobicContact CD2-CG 3.88Å; L339-Y349 CarbonylContact C-O 3.54Å; L339-Y349 WeakPolarHBondContact CA-O 3.34Å; A340-Y349 PolarHBondContact N-O 2.99Å; A340-Y349 PolarHBondContact O-N 2.93Å; R342-Y349 HydrophobicContact CB-CD2 4.27Å; R342-Y349 HydrophobicContact CB-CE2 4.18Å; R342-Y349 HydrophobicContact CG-CD2 4.3Å; R342-Y349 HydrophobicContact CG-CE2 4.31Å; Q345-Y349 PolarHBondContact OE1-OH 3.14Å; T347-Y349 HydrophobicContact CG2-CD2 4.27Å; T347-Y349 HydrophobicContact CG2-CE2 3.81Å; Y349-W356 HydrophobicContact CD1-CB 4.16Å; Y349-L357 WeakPolarHBondContact CA-O 3.47Å; Y349-P358 HydrophobicContact CD1-CB 4.15Å; Y349-P358 HydrophobicContact CE1-CB 3.64Å; Y349-P358 HydrophobicContact CE1-CG 4.22Å; Y349-P358 HydrophobicContact CE2-CB 4.5Å
350F87.7Confident83.8Confident67 Ų6773.2 Ų73.229%0.29437%0.37SS..EExtended strand (participates in β ladder)trans-114.3137.6170.1173.2-104.4000109.6A338 L339 D352 W356 L357 I359A338-F350 WeakPolarHBondContact O-CA 3.41Å; L339-F350 HydrophobicContact CD2-CB 4.03Å; L339-F350 HydrophobicContact CD2-CD2 4.02Å; F350-D352 HydrophobicContact CD1-CB 4.12Å; F350-D352 HydrophobicContact CE1-CB 3.85Å; F350-W356 VanDerWaalsContact C-CE3 3.44Å; F350-W356 WeakPolarHBondContact O-CA 3.01Å; F350-L357 PolarHBondContact N-O 3.12Å; F350-L357 PolarHBondContact O-N 3.32Å; F350-I359 HydrophobicContact CB-CD1 4.13Å; F350-I359 HydrophobicContact CB-CG1 4.37Å
351K83.4Confident82.5Confident38 Ų3878.9 Ų78.917%0.16540%0.398CS..EExtended strand (participates in β ladder)trans-93.7104.8174.1-159.8-165.5175.4-164.40110.3T335 D336 N337 A338 G355 W356T335-K351 WeakPolarHBondContact O-CD 3.4Å; D336-K351 IonicContact OD1-NZ 2.74Å; D336-K351 PolarHBondContact OD1-NZ 3.1Å; N337-K351 PolarHBondContact N-O 3.09Å; A338-K351 PolarHBondContact O-N 3.17Å; K351-G355 WeakPolarHBondContact CA-O 3.27Å; K351-W356 HydrophobicContact CB-CD2 3.77Å; K351-W356 HydrophobicContact CB-CE3 3.62Å; K351-W356 HydrophobicContact CB-CH2 3.78Å; K351-W356 HydrophobicContact CB-CZ2 3.88Å; K351-W356 HydrophobicContact CB-CZ3 3.64Å; K351-W356 HydrophobicContact CD-CZ2 4.17Å; K351-W356 HydrophobicContact CG-CD2 3.96Å; K351-W356 HydrophobicContact CG-CE3 4.32Å; K351-W356 HydrophobicContact CG-CG 4.36Å; K351-W356 HydrophobicContact CG-CZ2 4.21Å
352D77.8Confident80.9Confident64 Ų6481.5 Ų81.534%0.34242%0.42SS..EExtended strand (participates in β ladder)trans-88.6176.7169-155.6-7.6000110.5F350 D354 G355 L357F350-D352 HydrophobicContact CD1-CB 4.12Å; F350-D352 HydrophobicContact CE1-CB 3.85Å; D352-D354 PolarHBondContact O-N 2.96Å; D352-G355 PolarHBondContact N-O 2.96Å; D352-G355 PolarHBondContact O-N 3.1Å; D352-G355 VanDerWaalsContact O-N 3.08Å; D352-L357 HydrophobicContact CB-CD1 3.96Å
353V77.3Confident78.8Confident129 Ų12986.6 Ų86.678%0.78245%0.454SS*.THydrogen-bonded Turntrans-58.6-32177.6-71.70000113.4
354D75.8Confident76.7Confident157 Ų15789.4 Ų89.484%0.8447%0.467SS*.THydrogen-bonded Turntrans-89.1-2.4178.6-65.6-44.8000113.7D352D352-D354 PolarHBondContact O-N 2.96Å
355G81.6Confident74.5Confident23 Ų2393.9 Ų93.924%0.23749%0.485CS..EExtended strand (participates in β ladder)trans126.3-158.517500000115.1K351 D352 L357K351-G355 WeakPolarHBondContact CA-O 3.27Å; D352-G355 PolarHBondContact N-O 2.96Å; D352-G355 PolarHBondContact O-N 3.1Å; D352-G355 VanDerWaalsContact O-N 3.08Å; G355-L357 PolarHBondContact O-N 3.41Å
356W85.8Confident72.4Confident45 Ų4593.7 Ų93.717%0.1749%0.494CS..EExtended strand (participates in β ladder)trans-86.4109.9-174.8-73.8110.1000112.5L330 L333 A338 A340 Y349 F350 K351L330-W356 HydrophobicContact CD1-CD2 3.5Å; L330-W356 HydrophobicContact CD1-CE3 3.73Å; L330-W356 HydrophobicContact CD1-CG 4.02Å; L330-W356 HydrophobicContact CD1-CH2 4Å; L330-W356 HydrophobicContact CD1-CZ2 3.81Å; L330-W356 HydrophobicContact CD1-CZ3 3.96Å; L330-W356 HydrophobicContact CD2-CB 3.98Å; L330-W356 HydrophobicContact CD2-CD2 4.26Å; L330-W356 HydrophobicContact CD2-CG 3.94Å; L330-W356 HydrophobicContact CG-CB 4.34Å; L330-W356 HydrophobicContact CG-CD2 3.81Å; L330-W356 HydrophobicContact CG-CE3 4.45Å; L330-W356 HydrophobicContact CG-CG 3.75Å; L330-W356 PolarHBondContact O-NE1 2.91Å; L333-W356 HydrophobicContact CB-CZ2 3.74Å; L333-W356 HydrophobicContact CD1-CH2 4.27Å; L333-W356 HydrophobicContact CD1-CZ2 4.03Å; A338-W356 HydrophobicContact CB-CH2 3.88Å; A340-W356 HydrophobicContact CB-CE3 4.42Å; A340-W356 HydrophobicContact CB-CH2 3.54Å; A340-W356 HydrophobicContact CB-CZ2 4.36Å; A340-W356 HydrophobicContact CB-CZ3 3.57Å; Y349-W356 HydrophobicContact CD1-CB 4.16Å; F350-W356 VanDerWaalsContact C-CE3 3.44Å; F350-W356 WeakPolarHBondContact O-CA 3.01Å; K351-W356 HydrophobicContact CB-CD2 3.77Å; K351-W356 HydrophobicContact CB-CE3 3.62Å; K351-W356 HydrophobicContact CB-CH2 3.78Å; K351-W356 HydrophobicContact CB-CZ2 3.88Å; K351-W356 HydrophobicContact CB-CZ3 3.64Å; K351-W356 HydrophobicContact CD-CZ2 4.17Å; K351-W356 HydrophobicContact CG-CD2 3.96Å; K351-W356 HydrophobicContact CG-CE3 4.32Å; K351-W356 HydrophobicContact CG-CG 4.36Å; K351-W356 HydrophobicContact CG-CZ2 4.21Å
357L84.4Confident70.2Confident89 Ų8994 Ų9447%0.46650%0.499SS..EExtended strand (participates in β ladder)trans-99.1131.6178.7-61.1177.4000111.1Y349 F350 D352 G355Y349-L357 WeakPolarHBondContact CA-O 3.47Å; F350-L357 PolarHBondContact N-O 3.12Å; F350-L357 PolarHBondContact O-N 3.32Å; D352-L357 HydrophobicContact CB-CD1 3.96Å; G355-L357 PolarHBondContact O-N 3.41Å
358P86Confident68.1Low74 Ų7499.7 Ų99.748%0.48152%0.523SS..EExtended strand (participates in β ladder)trans-74.1126.117628.4-32.3000111.3T347 Y349 Q360T347-P358 HydrophobicContact CG2-CB 4.09Å; Y349-P358 HydrophobicContact CD1-CB 4.15Å; Y349-P358 HydrophobicContact CE1-CB 3.64Å; Y349-P358 HydrophobicContact CE1-CG 4.22Å; Y349-P358 HydrophobicContact CE2-CB 4.5Å; P358-Q360 PolarHBondContact O-N 2.9Å
359I83.9Confident65.9Low67 Ų67105.7 Ų105.734%0.34456%0.555SS.*EExtended strand (participates in β ladder)trans-78.5116.9170.2-63172000108.1L339 L348 F350 M361L339-I359 HydrophobicContact CD2-CD1 3.8Å; L348-I359 HydrophobicContact CB-CB 4.48Å; L348-I359 HydrophobicContact CD2-CD1 3.87Å; L348-I359 HydrophobicContact CG-CD1 4.06Å; L348-I359 WeakPolarHBondContact O-CB 3.41Å; L348-I359 PolarHBondContact O-N 3.21Å; F350-I359 HydrophobicContact CB-CD1 4.13Å; F350-I359 HydrophobicContact CB-CG1 4.37Å; I359-M361 PolarHBondContact O-N 3.3Å
360Q72.7Confident63.4Low179 Ų179107.4 Ų107.484%0.83658%0.576SS**  trans-69.196.6174.1-68-170.23.400110.4P358 T362P358-Q360 PolarHBondContact O-N 2.9Å; Q360-T362 PolarHBondContact O-N 2.78Å; Q360-T362 VanDerWaalsContact O-N 3.09Å
361M61.6Low61.1Low119 Ų119110.2 Ų110.259%0.58660%0.6SS**  trans-71.597.7166.2-72.2-179.3159.300108.9L348 I359L348-M361 HydrophobicContact CB-CE 3.76Å; L348-M361 HydrophobicContact CB-SD 4.49Å; L348-M361 HydrophobicContact CD2-CE 4.01Å; I359-M361 PolarHBondContact O-N 3.3Å
362T55.8Low58.9Low120 Ų120116.2 Ų116.274%0.73663%0.634SS**  trans-59.3128.616447.80000108.2Q360 F364Q360-T362 PolarHBondContact O-N 2.78Å; Q360-T362 VanDerWaalsContact O-N 3.09Å; T362-F364 PolarHBondContact O-N 2.89Å; T362-F364 VanDerWaalsContact O-N 3.1Å
363P46.2Very low57Low116 Ų116121.2 Ų121.275%0.75366%0.661SS**  trans-59.6121.7175.525.5-32.8000107.9Q365P363-Q365 PolarHBondContact O-N 3.06Å
364F41.1Very low55.3Low169 Ų169124.3 Ų124.374%0.74167%0.667SS**  trans-61.4109.2179-167.4-85.5000107.7T362 S366T362-F364 PolarHBondContact O-N 2.89Å; T362-F364 VanDerWaalsContact O-N 3.1Å; F364-S366 PolarHBondContact O-N 2.89Å; F364-S366 VanDerWaalsContact O-N 3.1Å
365Q39.9Very low53Low173 Ų173120.4 Ų120.481%0.80866%0.664SS**  trans-66.4112.7173.1-72-173.9-8.600107.1P363 M367P363-Q365 PolarHBondContact O-N 3.06Å; Q365-M367 PolarHBondContact O-N 3.49Å
366S38.4Very low50.8Low84 Ų84130.4 Ų130.459%0.58770%0.696SS**  trans-48.6126.5167.2-54.10000108.5F364 E368F364-S366 PolarHBondContact O-N 2.89Å; F364-S366 VanDerWaalsContact O-N 3.1Å; S366-E368 PolarHBondContact O-N 3.34Å
367M38.6Very low48.1Very low161 Ų161133.2 Ų133.279%0.79372%0.721SS**  trans-73.245.7171.9-73.2174.150.700111.3Q365 N369Q365-M367 PolarHBondContact O-N 3.49Å; M367-N369 PolarHBondContact O-N 2.81Å
368E38.6Very low45.9Very low161 Ų161132.7 Ų132.775%0.75274%0.737SS**THydrogen-bonded Turntrans-78.4-0.4-178.6-161.8161.9-149.100111.7S366S366-E368 PolarHBondContact O-N 3.34Å
369N40.5Very low43.7Very low156 Ų156135.8 Ų135.883%0.83475%0.75SS**THydrogen-bonded Turntrans-141.657.5176.3-66.2-93.2000111M367M367-N369 PolarHBondContact O-N 2.81Å
370A35.3Very low41.6Very low65 Ų65136.4 Ų136.454%0.53777%0.773SS.*  trans-78.5132.9147.300000107.1
371P37.9Very low40Very low125 Ų125133.7 Ų133.781%0.81276%0.763SS**  trans-67.4136.9176.928.5-33.5000110.1D373P371-D373 PolarHBondContact O-N 2.9Å
372D37.4Very low39.1Very low165 Ų165133.8 Ų133.888%0.88277%0.77SS**  trans-65115.3178.3-61.9-67.8000111.1
373D37.5Very low38.5Very low168 Ų168135.1 Ų135.190%0.89877%0.767SS**  trans-81133.5161.5-108.1-28.6000108.8P371P371-D373 PolarHBondContact O-N 2.9Å
374E41.3Very low38.4Very low194 Ų194137 Ų13791%0.90777%0.77SS**  trans-68.3135.2-163.9-58.6-177.4123.800114.3
375G29Very low38.3Very low76 Ų76134.3 Ų134.378%0.78477%0.769SS**  trans-167.2103173.500000115.5
376Y34.4Very low38.2Very low233 Ų233132.6 Ų132.691%0.91477%0.765SS**  trans-107.8126.9179.2-81.8-86.4000114.1
377C30.4Very low38.4Very low103 Ų103132.3 Ų132.370%0.69678%0.776SS**  trans-160.3152.4151.753.50000108.5
378G38.1Very low38.2Very low78 Ų78133.1 Ų133.180%0.80478%0.778SS**  cis127.8133.3-0.700000110.8
379D39.8Very low38.3Very low140 Ų140134.4 Ų134.475%0.74978%0.784SS**  cis-132.7-2.7-1.563.23.2000114.4
380G39.4Very low38.3Very low79 Ų79132.6 Ų132.681%0.81478%0.782SS**  trans94.821.2167.800000117.1
381I38.6Very low38.5Very low123 Ų123135.4 Ų135.463%0.63179%0.788SS**  trans-114.9114.9179.9-55.2-179000112.2
382V43.2Very low38.8Very low120 Ų120135.4 Ų135.473%0.72778%0.781SS**  trans-75.4134.5174.4-179.70000111.1
383Q42.8Very low39.2Very low148 Ų148137 Ų13769%0.69278%0.775SS**  trans-98.2116.9173.5-66.9-61.4-34.400111.1
384I44.2Very low39.1Very low157 Ų157133.5 Ų133.581%0.80576%0.756SS**THydrogen-bonded Turntrans-70.6-22-165.1-64.3169.1000117.1N386I384-N386 PolarHBondContact O-N 3.11Å
385P39.3Very low39.2Very low112 Ų112136.4 Ų136.473%0.72776%0.759SS**THydrogen-bonded Turntrans-63.6-38.7-170.7-27.836.4000117.7
386N36.5Very low39.6Very low136 Ų136137 Ų13773%0.72775%0.747SS**THydrogen-bonded Turntrans-121-15.5-160.5-77.527.2000116.2I384 E388I384-N386 PolarHBondContact O-N 3.11Å; N386-E388 PolarHBondContact O-N 3.16Å
387G44.4Very low40.2Very low79 Ų79133.3 Ų133.381%0.81475%0.748SS**  trans68.722.3173.300000116.8
388E34.2Very low40.7Very low177 Ų177132.3 Ų132.383%0.82774%0.739SS**  trans-90.8114.6174.3-66.4-178.3142.600110.8N386N386-E388 PolarHBondContact O-N 3.16Å
389E39.8Very low40.4Very low189 Ų189135.9 Ų135.988%0.88374%0.74SS**  trans-110.287.3170.7-173.2169.3-149.500110.2
390C41.3Very low40.3Very low118 Ų118132.1 Ų132.180%0.79773%0.734SS**  trans-141.3100.4174.5-80.20000109.9D392C390-D392 PolarHBondContact O-N 2.82Å
391D39.9Very low40.1Very low124 Ų124133.1 Ų133.166%0.66373%0.727SS**  trans-78.3101.7164.8174.526.5000109.4R393D391-R393 WeakPolarHBondContact OD1-CA 3.37Å; D391-R393 WeakPolarHBondContact OD1-CG 3.28Å; D391-R393 PolarHBondContact OD1-N 2.72Å; D391-R393 WeakPolarHBondContact OD2-CG 3.33Å; D391-R393 IonicContact OD2-NE 3.85Å
392D43.8Very low39.8Very low124 Ų124133.5 Ų133.566%0.66374%0.736SS**  trans-97.39.3173.475-9.8000113.5C390 N394C390-D392 PolarHBondContact O-N 2.82Å; D392-N394 PolarHBondContact O-N 2.96Å
393R46Very low39.3Very low199 Ų199136.6 Ų136.675%0.75174%0.739SS**  trans52.324.5172.2-71.8-166.8166.6-155.9-4.9117D391D391-R393 WeakPolarHBondContact OD1-CA 3.37Å; D391-R393 WeakPolarHBondContact OD1-CG 3.28Å; D391-R393 PolarHBondContact OD1-N 2.72Å; D391-R393 WeakPolarHBondContact OD2-CG 3.33Å; D391-R393 IonicContact OD2-NE 3.85Å
394N35.6Very low38.7Very low95 Ų95134.7 Ų134.751%0.50874%0.741SS.*  trans-104135.2169.2-164.20.4000112D392 V396D392-N394 PolarHBondContact O-N 2.96Å; N394-V396 PolarHBondContact ND2-O 2.74Å; N394-V396 PolarHBondContact OD1-N 3.07Å; N394-V396 VanDerWaalsContact OD1-N 3.09Å
395R42.6Very low38Very low255 Ų255136.5 Ų136.596%0.96274%0.743SS**  trans-103.411.2177.3-145.1179-169.5176.45.2113.3
396V38.2Very low37.6Very low89 Ų89138.6 Ų138.654%0.53974%0.743SS.*SBendtrans-123.7126.4178.7-178.50000109.2N394 T398N394-V396 PolarHBondContact ND2-O 2.74Å; N394-V396 PolarHBondContact OD1-N 3.07Å; N394-V396 VanDerWaalsContact OD1-N 3.09Å; V396-T398 VanDerWaalsContact C-N 3.3Å; V396-T398 HydrophobicContact CG1-CG2 4.09Å; V396-T398 PolarHBondContact O-N 2.68Å
397V46.2Very low37.4Very low154 Ų154136.9 Ų136.993%0.93375%0.748SS**  trans-82.974.6177.1-172.50000109.9
398T40.9Very low37Very low82 Ų82141.8 Ų141.850%0.50374%0.743SS.*  trans-138.7152.1166.962.80000112V396 G400V396-T398 VanDerWaalsContact C-N 3.3Å; V396-T398 HydrophobicContact CG1-CG2 4.09Å; V396-T398 PolarHBondContact O-N 2.68Å; T398-G400 PolarHBondContact O-N 2.83Å
399D32.8Very low37.1Very low153 Ų153136.1 Ų136.182%0.81872%0.722SS**SBendtrans44.250.5158.166.6-47000121.5
400G35.9Very low36.9Very low61 Ų61128.6 Ų128.663%0.62970%0.696SS**  77.4113.2121.300000119.4T398 V402T398-G400 PolarHBondContact O-N 2.83Å; G400-V402 WeakPolarHBondContact O-CG2 3.42Å; G400-V402 PolarHBondContact O-N 2.82Å
401C36.3Very low36.7Very low100 Ų100128.2 Ų128.268%0.67669%0.686SS**  trans-56.1108.1177-177.60000113.8K403C401-K403 PolarHBondContact O-N 3.24Å
402V32.2Very low36.7Very low132 Ų132125.7 Ų125.780%0.869%0.689SS**  trans-82.784.9-177.5-172.80000111.5G400G400-V402 WeakPolarHBondContact O-CG2 3.42Å; G400-V402 PolarHBondContact O-N 2.82Å
403K32.7Very low36.4Very low184 Ų184128 Ų12880%0.869%0.689SS**  trans61.459.2160.5-59.7176.3178.91690116.2C401 K405C401-K403 PolarHBondContact O-N 3.24Å; K403-K405 PolarHBondContact O-N 3.23Å
404C30.7Very low36.1Very low109 Ų109129.1 Ų129.174%0.73669%0.694SS**  trans-56.4110.1144.8-67.80000108.7
405K28.5Very low36.3Very low195 Ų195133.5 Ų133.585%0.84870%0.704SS**  trans-80.3126.8166.3-81.6-168.9175.4-175.80107.9K403 A407K403-K405 PolarHBondContact O-N 3.23Å; K405-A407 PolarHBondContact O-N 2.65Å; K405-A407 VanDerWaalsContact O-N 3.14Å
406H31Very low36Very low155 Ų155131.3 Ų131.372%0.71871%0.705SS**  trans-45.8118.5175-58.395.5000111.4Y408H406-Y408 HydrophobicContact CB-CD2 4.49Å; H406-Y408 HydrophobicContact CB-CE2 3.98Å
407A32.5Very low36.2Very low101 Ų101130 Ų13084%0.83571%0.71SS**  trans-80.5113.8163.200000107.2K405 C409K405-A407 PolarHBondContact O-N 2.65Å; K405-A407 VanDerWaalsContact O-N 3.14Å; A407-C409 PolarHBondContact O-N 3.37Å
408Y36.2Very low36Very low181 Ų181127.9 Ų127.971%0.7171%0.708SS**  trans-84.1109.7173.6-66.2-83.4000108.6H406H406-Y408 HydrophobicContact CB-CD2 4.49Å; H406-Y408 HydrophobicContact CB-CE2 3.98Å
409C35.4Very low36Very low58 Ų58128.2 Ų128.239%0.39270%0.704SS.*  trans-66.2156.7145.5-84.70000108.4A407 C421A407-C409 PolarHBondContact O-N 3.37Å; C409-C421 HydrophobicContact CB-CB 4.31Å; C409-C421 WeakPolarHBondContact CB-SG 3.3Å; C409-C421 WeakPolarHBondContact SG-CB 3.26Å; C409-C421 CovalentContact SG-SG 2.04Å; C409-C421 PolarHBondContact SG-SG 2.74Å
410G35.1Very low36.3Very low32 Ų32129.3 Ų129.333%0.3370%0.704SS.*SBendtrans133.9143.7-177.900000112.9G412G410-G412 PolarHBondContact O-N 3.41Å
411D37.8Very low36.6Very low110 Ų110130.6 Ų130.659%0.58870%0.703SS**SBendtrans-75.6-1.2179.868-12.2000114.4Y413D411-Y413 VanDerWaalsContact OD1-CD2 3.28Å; D411-Y413 WeakPolarHBondContact OD1-CD2 3.34Å; D411-Y413 PolarHBondContact OD1-N 3.38Å; D411-Y413 VanDerWaalsContact OD1-N 3.08Å; D411-Y413 WeakPolarHBondContact OD2-CD2 3.18Å
412G39.3Very low36.9Very low70 Ų70129.2 Ų129.272%0.72269%0.689SS**SBendtrans121.1-12-17600000114G410G410-G412 PolarHBondContact O-N 3.41Å
413Y37.3Very low37.4Very low172 Ų172126.3 Ų126.368%0.67569%0.685SS**  trans-86.7150.1172.4-65.3-73.5000112.1D411D411-Y413 VanDerWaalsContact OD1-CD2 3.28Å; D411-Y413 WeakPolarHBondContact OD1-CD2 3.34Å; D411-Y413 PolarHBondContact OD1-N 3.38Å; D411-Y413 VanDerWaalsContact OD1-N 3.08Å; D411-Y413 WeakPolarHBondContact OD2-CD2 3.18Å
414R40.6Very low37.7Very low224 Ų224125 Ų12585%0.84568%0.68SS**  trans-105.3109.8172.8-71.4179.870.5-176.41.2109.2
415Y39.8Very low38.2Very low187 Ų187123.5 Ų123.573%0.73366%0.664SS**  trans-99.2151.4160.1-80.9-83.2000110.4G417Y415-G417 PolarHBondContact O-N 3.01Å
416E36.6Very low38.7Very low208 Ų208122.7 Ų122.797%0.97266%0.661SS**SBendtrans-89.682.1175.2-67.5-169.415100109.4
417G43.2Very low38.9Very low63 Ų63117.1 Ų117.165%0.64965%0.645SS**SBendtrans-171.7168.9177.800000110.7Y415Y415-G417 PolarHBondContact O-N 3.01Å
418A40.3Very low39.1Very low108 Ų108123.2 Ų123.289%0.89365%0.648SS**PPolyproline II helixtrans-87.5123167.700000108.7
419E40.9Very low39Very low90 Ų90123.1 Ų123.142%0.42165%0.654SS.*PPolyproline II helixtrans-92.3120.9173.8-66.5-177171.600109.1C421E419-C421 PolarHBondContact O-N 2.63Å
420E38.8Very low38.8Very low175 Ų175126.3 Ų126.382%0.81867%0.672SS**PPolyproline II helixtrans-67.6121.3167.5-67.5-176.9151.900108.1D422E420-D422 PolarHBondContact O-N 3.08Å
421C44.2Very low38.4Very low88 Ų88129.2 Ų129.260%0.59569%0.686SS**  trans-72.267.2177.9-53.20000111.5C409 E419C409-C421 HydrophobicContact CB-CB 4.31Å; C409-C421 WeakPolarHBondContact CB-SG 3.3Å; C409-C421 WeakPolarHBondContact SG-CB 3.26Å; C409-C421 CovalentContact SG-SG 2.04Å; C409-C421 PolarHBondContact SG-SG 2.74Å; E419-C421 PolarHBondContact O-N 2.63Å
422D41.3Very low37.9Very low72 Ų72132.6 Ų132.639%0.38570%0.704SS.*  trans-61.4150.8168168.3-60000109.6E420 K424 D425E420-D422 PolarHBondContact O-N 3.08Å; D422-K424 PolarHBondContact O-N 3.24Å; D422-K424 WeakPolarHBondContact OD1-CB 3.5Å; D422-K424 VanDerWaalsContact OD1-CG 3.23Å; D422-K424 WeakPolarHBondContact OD1-CG 3.23Å; D422-K424 PolarHBondContact OD1-N 2.96Å; D422-K424 IonicContact OD1-NZ 2.63Å; D422-K424 PolarHBondContact OD1-NZ 3.07Å; D422-K424 IonicContact OD2-NZ 3.55Å; D422-K424 PolarHBondContact OD2-NZ 3.08Å; D422-D425 PolarHBondContact O-N 3.35Å; D422-D425 VanDerWaalsContact O-N 3.16Å
423G42.2Very low37.6Very low70 Ų70133.3 Ų133.372%0.72270%0.698SS**THydrogen-bonded Turntrans-62.73-174.900000116.3
424K40.6Very low37.4Very low158 Ų158135.6 Ų135.669%0.68771%0.707SS**THydrogen-bonded Turntrans-91.1-23.4175.1-64.7179.6-134.580.20113.8D422 F426D422-K424 PolarHBondContact O-N 3.24Å; D422-K424 WeakPolarHBondContact OD1-CB 3.5Å; D422-K424 VanDerWaalsContact OD1-CG 3.23Å; D422-K424 WeakPolarHBondContact OD1-CG 3.23Å; D422-K424 PolarHBondContact OD1-N 2.96Å; D422-K424 IonicContact OD1-NZ 2.63Å; D422-K424 PolarHBondContact OD1-NZ 3.07Å; D422-K424 IonicContact OD2-NZ 3.55Å; D422-K424 PolarHBondContact OD2-NZ 3.08Å; K424-F426 PolarHBondContact O-N 3.25Å; K424-F426 VanDerWaalsContact O-N 3.11Å
425D40.6Very low37.1Very low76 Ų76130.6 Ų130.641%0.40670%0.697SS.*  trans-85.516.4-166.3-54.3-44.5000114.3D422 G427D422-D425 PolarHBondContact O-N 3.35Å; D422-D425 VanDerWaalsContact O-N 3.16Å; D425-G427 VanDerWaalsContact C-N 3.3Å; D425-G427 PolarHBondContact O-N 3.1Å
426F39.3Very low36.8Very low179 Ų179127.8 Ų127.879%0.78570%0.701SS**  trans-72.882.2170.7-82.2-81.8000111.4K424K424-F426 PolarHBondContact O-N 3.25Å; K424-F426 VanDerWaalsContact O-N 3.11Å
427G34.6Very low36.7Very low37 Ų37119.7 Ų119.738%0.38167%0.674SS.*  trans-52.2144.7170.400000112.9D425 Q429D425-G427 VanDerWaalsContact C-N 3.3Å; D425-G427 PolarHBondContact O-N 3.1Å; G427-Q429 PolarHBondContact O-N 3.46Å
428Y37.8Very low36.4Very low230 Ų230118.8 Ų118.890%0.90266%0.658SS**SBendtrans-75.148.1-174.7-95.1-102.5000114
429Q33Very low36.3Very low178 Ų178119 Ų11983%0.83264%0.636SS**  trans179.6136.4171.8-103.4144.999.300108.1G427G427-Q429 PolarHBondContact O-N 3.46Å
430T30.7Very low36.3Very low125 Ų125116.9 Ų116.977%0.76764%0.638SS**SBendcis-141.2113.38.846.30000112.7
431C26.9Very low36.3Very low94 Ų94117 Ų11764%0.63564%0.636SS**  trans-153.280.1159.3-125.50000109.6S433C431-S433 PolarHBondContact O-N 2.04Å
432N27.1Very low36.1Very low181 Ų181117.8 Ų117.897%0.96863%0.634SS**  trans-8445.7-166.3-146.47.8000112.9
433S33.8Very low36Very low84 Ų84120 Ų12059%0.58764%0.641SS**  trans-147.950.5-175.160.80000111.2C431 L435C431-S433 PolarHBondContact O-N 2.04Å; S433-L435 PolarHBondContact O-N 3.38Å; S433-L435 VanDerWaalsContact O-N 3.12Å
434Y32.5Very low35.7Very low220 Ų220122.4 Ų122.486%0.86365%0.645SS**  trans-60.9110.7166.4-99.6-91.9000109.7P436Y434-P436 WeakPolarHBondContact O-CD 3.37Å
435L35Very low35.7Very low120 Ų120117.2 Ų117.263%0.62863%0.627SS**  trans-77.2116.6158.2-77169.3000107.9S433 G437 S438S433-L435 PolarHBondContact O-N 3.38Å; S433-L435 VanDerWaalsContact O-N 3.12Å; L435-G437 PolarHBondContact O-N 3.29Å; L435-S438 PolarHBondContact O-OG 3.02Å
436P34Very low35.4Very low127 Ų127119.6 Ų119.683%0.82565%0.646SS**THydrogen-bonded Turntrans-69.9121.8176.728.2-32.8000109.8Y434Y434-P436 WeakPolarHBondContact O-CD 3.37Å
437G34.3Very low35Very low39 Ų39119.8 Ų119.840%0.40264%0.643SS.*THydrogen-bonded Turntrans114.7-2.5172.200000116.9L435 F458L435-G437 PolarHBondContact O-N 3.29Å; G437-F458 PolarHBondContact O-N 3.09Å; G437-F458 VanDerWaalsContact O-N 3.07Å
438S36.8Very low35Very low44 Ų44125.1 Ų125.131%0.30867%0.673SS.*EExtended strand (participates in β ladder)trans-103.8141.1-179.558.30000114.1L435 K456L435-S438 PolarHBondContact O-OG 3.02Å; S438-K456 WeakPolarHBondContact CA-O 3.36Å
439Y37Very low34.8Very low111 Ų111118.5 Ų118.544%0.43566%0.656SS.*EExtended strand (participates in β ladder)trans-138129.5173.440.1-82.2000110.2K456 F458Y439-K456 HydrophobicContact CD2-CB 4.02Å; Y439-K456 WeakPolarHBondContact CE1-O 3.13Å; Y439-K456 HydrophobicContact CE2-CB 3.43Å; Y439-K456 VanDerWaalsContact CE2-CB 3.43Å; Y439-K456 PolarHBondContact N-O 3.02Å; Y439-K456 PolarHBondContact O-N 3.25Å; Y439-F458 HydrophobicContact CE1-CB 4.28Å; Y439-F458 AromaticContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CG 4.37Å; Y439-F458 AromaticContact CZ-CD2 3.62Å; Y439-F458 WeakPolarHBondContact OH-CD2 3.47Å; Y439-F458 WeakPolarHBondContact OH-CE2 3.42Å
440G41Very low35.2Very low46 Ų46114.3 Ų114.347%0.47464%0.638SS.*SBendtrans153.8171.3-176.200000111.7N454G440-N454 WeakPolarHBondContact CA-O 3.11Å
441F39.6Very low35.7Very low177 Ų177110.5 Ų110.578%0.77661%0.613SS**  trans-84.8118.3-179.4-59.5-81.4000110.8
442L40.2Very low36.7Very low106 Ų106108.6 Ų108.656%0.55560%0.601SS**  trans-76.7129.2170.7-64.1174.4000109.5I450 C455L442-I450 HydrophobicContact CB-CG2 3.84Å; L442-I450 HydrophobicContact CD1-CG2 4.34Å; L442-I450 HydrophobicContact CD2-CG2 3.85Å; L442-I450 HydrophobicContact CG-CG2 4.22Å; L442-C455 VanDerWaalsContact CD2-SG 3.53Å
443K39.9Very low37.6Very low119 Ų119104.7 Ų104.752%0.51758%0.584SS.*EExtended strand (participates in β ladder)trans-105.2122.5174.6-70.8-176.7179.91800110.4T445 D451K443-T445 PolarHBondContact O-N 3.14Å; K443-D451 HydrophobicContact CB-CB 4.16Å; K443-D451 PolarHBondContact N-O 3.37Å; K443-D451 PolarHBondContact O-N 3.34Å
444C35.9Very low38.1Very low119 Ų119104.9 Ų104.980%0.80458%0.578SS**EExtended strand (participates in β ladder)trans-73.2119.9166.7-65.40000108.8
445T39.6Very low38.5Very low50 Ų5094.9 Ų94.931%0.30754%0.541SS..  trans-86.8165174.570.80000110.2K443 Y447 V449 D451K443-T445 PolarHBondContact O-N 3.14Å; T445-Y447 CarbonylContact C-O 3.58Å; T445-Y447 PolarHBondContact O-N 3.26Å; T445-Y447 PolarHBondContact OG1-O 3.15Å; T445-V449 PolarHBondContact N-O 3.07Å; T445-V449 PolarHBondContact OG1-O 3.05Å; T445-D451 HydrophobicContact CG2-CB 3.75Å
446P34.4Very low38.6Very low126 Ų12696.5 Ų96.582%0.81854%0.542SS*.SBendtrans-70.9-15.8178.827.3-35.4000113.6
447Y31.6Very low38.9Very low183 Ų18396.6 Ų96.672%0.71853%0.53SS*.SBendtrans-88.4154163.6-45.8-74.3000108.1T445 V449T445-Y447 CarbonylContact C-O 3.58Å; T445-Y447 PolarHBondContact O-N 3.26Å; T445-Y447 PolarHBondContact OG1-O 3.15Å; Y447-V449 PolarHBondContact O-N 3Å
448C34.3Very low38.9Very low149 Ų149102.5 Ų102.5100%1.00755%0.545SS*.SBendtrans-73.360.7-176.1-64.70000113.5
449V33.8Very low38.6Very low91 Ų91110.1 Ų110.155%0.55259%0.59SS**  trans-137.4129.4-174.9-177.80000107.5T445 Y447T445-V449 PolarHBondContact N-O 3.07Å; T445-V449 PolarHBondContact OG1-O 3.05Å; Y447-V449 PolarHBondContact O-N 3Å
450I41.5Very low38.7Very low89 Ų89110.1 Ų110.146%0.45660%0.598SS.*EExtended strand (participates in β ladder)trans-89.9116.9173.4-57.3175.4000107.3L442 S452L442-I450 HydrophobicContact CB-CG2 3.84Å; L442-I450 HydrophobicContact CD1-CG2 4.34Å; L442-I450 HydrophobicContact CD2-CG2 3.85Å; L442-I450 HydrophobicContact CG-CG2 4.22Å; I450-S452 PolarHBondContact O-N 3.41Å
451D40.1Very low38.5Very low46 Ų46113.5 Ų113.525%0.24660%0.604CS.*EExtended strand (participates in β ladder)trans-78119172.6170.522.5000109.7K443 T445 T453K443-D451 HydrophobicContact CB-CB 4.16Å; K443-D451 PolarHBondContact N-O 3.37Å; K443-D451 PolarHBondContact O-N 3.34Å; T445-D451 HydrophobicContact CG2-CB 3.75Å; D451-T453 VanDerWaalsContact CG-OG1 3.3Å; D451-T453 VanDerWaalsContact OD1-CB 3.26Å; D451-T453 WeakPolarHBondContact OD1-CB 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.09Å; D451-T453 PolarHBondContact OD1-N 3.03Å; D451-T453 PolarHBondContact OD1-OG1 3.07Å; D451-T453 PolarHBondContact OD2-OG1 3.25Å
452S47.8Very low38.5Very low53 Ų53109.9 Ų109.937%0.37160%0.595SS.*  trans-113.214.4179.460.90000113.1I450 N454 C455I450-S452 PolarHBondContact O-N 3.41Å; S452-N454 PolarHBondContact O-N 3.11Å; S452-C455 VanDerWaalsContact O-CB 3.3Å; S452-C455 WeakPolarHBondContact O-CB 3.47Å; S452-C455 PolarHBondContact O-N 3.36Å
453T46.5Very low38.4Very low99 Ų99110.2 Ų110.261%0.60760%0.597SS**THydrogen-bonded Turntrans-55.2-25.8177.250.40000113.8D451D451-T453 VanDerWaalsContact CG-OG1 3.3Å; D451-T453 VanDerWaalsContact OD1-CB 3.26Å; D451-T453 WeakPolarHBondContact OD1-CB 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.09Å; D451-T453 PolarHBondContact OD1-N 3.03Å; D451-T453 PolarHBondContact OD1-OG1 3.07Å; D451-T453 PolarHBondContact OD2-OG1 3.25Å
454N43.7Very low38.3Very low88 Ų88109.6 Ų109.647%0.47160%0.602SS.*THydrogen-bonded Turntrans-92.52.8178.1-71-86.4000113.8G440 S452G440-N454 WeakPolarHBondContact CA-O 3.11Å; S452-N454 PolarHBondContact O-N 3.11Å
455C41.9Very low38.4Very low11 Ų11109 Ų1097%0.07459%0.589CS.*  trans-85.3120.3173.9-66.40000110.9L442 S452 F457L442-C455 VanDerWaalsContact CD2-SG 3.53Å; S452-C455 VanDerWaalsContact O-CB 3.3Å; S452-C455 WeakPolarHBondContact O-CB 3.47Å; S452-C455 PolarHBondContact O-N 3.36Å; C455-F457 HydrophobicContact CB-CE2 4.35Å; C455-F457 HydrophobicContact CB-CZ 4.13Å; C455-F457 WeakPolarHBondContact O-CE2 3.22Å
456K37.2Very low38.4Very low154 Ų154113.2 Ų113.267%0.6761%0.609SS**EExtended strand (participates in β ladder)trans-87.6138.4166-69.7-178-179.9-177.70108.7S438 Y439S438-K456 WeakPolarHBondContact CA-O 3.36Å; Y439-K456 HydrophobicContact CD2-CB 4.02Å; Y439-K456 WeakPolarHBondContact CE1-O 3.13Å; Y439-K456 HydrophobicContact CE2-CB 3.43Å; Y439-K456 VanDerWaalsContact CE2-CB 3.43Å; Y439-K456 PolarHBondContact N-O 3.02Å; Y439-K456 PolarHBondContact O-N 3.25Å
457F40.2Very low38.7Very low129 Ų129112.2 Ų112.257%0.56659%0.593SS**EExtended strand (participates in β ladder)trans-110.9133.7-178.7-56.5-89.1000109.7C455C455-F457 HydrophobicContact CB-CE2 4.35Å; C455-F457 HydrophobicContact CB-CZ 4.13Å; C455-F457 WeakPolarHBondContact O-CE2 3.22Å
458F33.4Very low39.2Very low163 Ų163106.3 Ų106.372%0.71558%0.582SS**  trans-95.6145.7160.8-100.2-60000110.1G437 Y439G437-F458 PolarHBondContact O-N 3.09Å; G437-F458 VanDerWaalsContact O-N 3.07Å; Y439-F458 HydrophobicContact CE1-CB 4.28Å; Y439-F458 AromaticContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CD2 3.68Å; Y439-F458 HydrophobicContact CE1-CG 4.37Å; Y439-F458 AromaticContact CZ-CD2 3.62Å; Y439-F458 WeakPolarHBondContact OH-CD2 3.47Å; Y439-F458 WeakPolarHBondContact OH-CE2 3.42Å
459T30.6Very low39.7Very low204 Ų204102.5 Ų102.5100%1.25254%0.544SS*.  trans-91.60175.556.80000112.1

Retrieved 459 of 459 residues in 1230.1 ms (Link to these results)