A0A075BHZ2_DROME Loading...

Nanos

AlphaFold DB , UniProt , Accession A0A075BHZ2, Species DROME (Drosophila melanogaster, Fruit fly), Gene nos, Length 346 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
1P36.1Very low35.1Very low171 Ų171149.3 Ų149.3100%1.1183%0.829SS**  093.2026.2-3.8000110.7
2S34.2Very low35Very low98 Ų98150.3 Ų150.369%0.68583%0.831SS**  96.211361.361.40000112.5
3L36.2Very low34.9Very low159 Ų159150.8 Ų150.883%0.83282%0.823SS**  trans71.6149.8156-50.9165.5000115.7
4T37.2Very low34.8Very low108 Ų108149.9 Ų149.966%0.66382%0.817SS**  cis-159.9136.7-7.79.60000111.3
5Q37.7Very low34.6Very low187 Ų187147.9 Ų147.987%0.87481%0.805SS**  53.3130.4125.6-150.9163.627.700122.4
6S37.7Very low34.3Very low125 Ų125150.5 Ų150.587%0.87481%0.807SS**  trans-91.5155.7174-76.30000113.8
7G33.1Very low34.5Very low76 Ų76147.8 Ų147.878%0.78480%0.802SS**  trans-166.7100.4162.500000111.5
8K34.1Very low34.4Very low209 Ų209144.4 Ų144.491%0.90980%0.798SS**  trans-92.1119.1173-75.1-176.5177.6-179.80109.7
9I31.2Very low34.3Very low147 Ų147147.6 Ų147.675%0.75480%0.803SS**  trans-110.7128.6161.4-63.7179000106.8
10F34.5Very low34.5Very low191 Ų191150.4 Ų150.484%0.83881%0.81SS**  trans-125.6111.4164.9-111.3-90.6000107.4
11Q34.3Very low34.6Very low171 Ų171147.2 Ų147.280%0.79980%0.804SS**  trans-87.3142160.3-69.5179.21.400107.7
12L34Very low34.7Very low162 Ų162151.1 Ų151.185%0.84880%0.797SS**  trans-133.9123.1163.7-106165.9000108.2
13Q34Very low34.6Very low157 Ų157150.4 Ų150.473%0.73481%0.805SS**  trans-83.6142.8172.3-163.384.68.200108.1
14D33.7Very low34.5Very low138 Ų138146.6 Ų146.674%0.73880%0.804SS**  156117.6120.9-84.3-39.3000115.3
15N30.8Very low34.6Very low119 Ų119149.8 Ų149.864%0.63682%0.816SS**  65.7107.8120-152.4-2000120.3
16F30.6Very low34.6Very low190 Ų190148 Ų14883%0.83381%0.813SS**  -173.6161.5106-120.5-94.9000114.5
17S36.6Very low34.7Very low104 Ų104150 Ų15073%0.72781%0.812SS**  trans-92.2173.4-171.8-56.50000115.7
18A33.3Very low35Very low88 Ų88154.8 Ų154.873%0.72782%0.819SS**  trans97.7115.2157.500000118.4
19F31.8Very low34.9Very low204 Ų204148 Ų14890%0.89581%0.808SS**  178.689126.1-103.9-72.4000110.3
20H40.2Very low35.2Very low203 Ų203148.9 Ų148.994%0.9481%0.813SS**  trans-128.989168.3-101.4-82.3000109.9
21A35.9Very low35.3Very low84 Ų84147.8 Ų147.869%0.69481%0.811SS**  trans-166.8114.8163.500000111.6
22R38.6Very low35.3Very low254 Ų254146.9 Ų146.996%0.95881%0.811SS**  155.9125.9128.8-79.3-100.6160.8170.1-7.5111.9
23G32.3Very low35.4Very low83 Ų83148.1 Ų148.186%0.85682%0.815SS**  trans97.1103.9173.200000113.9
24G33.6Very low35.4Very low78 Ų78150.9 Ų150.980%0.80482%0.82SS**  cis112.182.3-3.300000113.9
25L38Very low35.6Very low176 Ų176149.9 Ų149.992%0.92181%0.814SS**  trans-144.8146.6160.6-97.9174.5000110.1
26N39.6Very low35.5Very low150 Ų150151.2 Ų151.280%0.80282%0.822SS**  trans-77.3145-165.6-87.3-65.2000114.6
27I38.6Very low35.8Very low167 Ų167147.3 Ų147.386%0.85681%0.813SS**  trans-140.194.6156.4-6.1172.7000108.6
28L40.6Very low35.7Very low176 Ų176148.6 Ų148.692%0.92182%0.823SS**  trans-162.7126.2172.8-106.3142.5000109.2
29G30.3Very low35.4Very low67 Ų67147.9 Ų147.969%0.69182%0.823SS**  trans126.290.9169.100000115.3
30L37.4Very low35.4Very low164 Ų164142.5 Ų142.586%0.85982%0.817SS**  156.190.6120.9-83.6161.3000111.9
31Q37Very low34.9Very low169 Ų169139.7 Ų139.779%0.7981%0.809SS**  trans-112.4141.2147.3-109.781.298.400107.7
32D34.3Very low34.7Very low151 Ų151140.7 Ų140.781%0.80781%0.811SS**  trans54.1116.1157.7-53-42.5000121.2
33M35.9Very low34.4Very low189 Ų189134.4 Ų134.493%0.93181%0.806SS**  trans-145.7127.4147.2-95.5-93.3-73.800107.9
34Y35.2Very low34.4Very low214 Ų214134.1 Ų134.184%0.83980%0.795SS**  trans-133.1139.1-174.3-172.9-114.8000110.1
35L38.1Very low34.4Very low117 Ų117136.3 Ų136.361%0.61379%0.793SS**  trans62.9141.4-178-102.473.3000116.3
36D28.5Very low34.1Very low147 Ų147135.8 Ų135.879%0.78679%0.79SS**  -143.8-17962.2-151.8-10.8000115.3
37T36.2Very low33.7Very low108 Ų108133.8 Ų133.866%0.66379%0.788SS**  trans-122.3132.2-16212.50000112.9
38S33.5Very low34.9Very low132 Ų132130.4 Ų130.492%0.92378%0.777SS**  trans161146.7151.744.30000109.7
39G28.5Very low34.8Very low72 Ų72128.3 Ų128.374%0.74277%0.774SS**  cis173.7161.9-9.700000111.6
40A30.8Very low35.2Very low91 Ų91131.6 Ų131.675%0.75277%0.774SS**  trans81.8132.7159.800000122.1
41N30.4Very low35.3Very low145 Ų145129.8 Ų129.878%0.77577%0.77SS**  trans85.982.4143.9-58.9-13.6000121.8
42S32Very low36.1Very low105 Ų105127 Ų12773%0.73477%0.766SS**  35.3144.3107.4-46.40000122.6
43S32Very low36.2Very low122 Ų122125.4 Ų125.485%0.85376%0.762SS**  trans77.8148.5156.8-57.40000117
44A31.2Very low36.5Very low76 Ų76122.3 Ų122.363%0.62875%0.754SS**  cis-169.8159.3-18.100000108.3
45T34.4Very low37.4Very low125 Ų125117.6 Ų117.677%0.76775%0.749SS**  trans45.6136.6155.258.40000119.7
46L31.2Very low37.2Very low164 Ų164119.3 Ų119.386%0.85976%0.759SS**  -172142.176.3-83.9162.1000110.8
47S32.3Very low38.2Very low108 Ų108117.3 Ų117.376%0.75576%0.755SS**  trans-104179.8159.6-510000108.6
48P62.3Low38.1Very low97 Ų97117.5 Ų117.563%0.6376%0.76SS**  cis-123.7-149.9-44.132.9-12.9000109.2I50P48-I50 HydrophobicContact CG-CD1 4.25Å; P48-I50 HydrophobicContact CG-CG1 3.8Å
49P39.8Very low38.2Very low131 Ų131117.9 Ų117.985%0.85176%0.757SS**  -127.1164.312436.4-30.9000113.9
50I37.8Very low38.6Very low137 Ų137120 Ų12070%0.70376%0.761SS**  trans-128.8165.8-166.8-42172.6000109.1P48P48-I50 HydrophobicContact CG-CD1 4.25Å; P48-I50 HydrophobicContact CG-CG1 3.8Å
51T40.9Very low39.2Very low125 Ų125120.6 Ų120.677%0.76777%0.765SS**  trans109.4154.5150.274.90000118.1
52P53.7Low39.5Very low110 Ų110122.7 Ų122.771%0.71477%0.77SS**  -143.8-161.4-63.939.2-19.3000115.3
53V36Very low39.8Very low118 Ų118123.1 Ų123.172%0.71577%0.773SS**  trans89.292161.2-161.80000117
54T41.6Very low40.2Very low125 Ų125123.5 Ų123.577%0.76777%0.771SS**  65.6155.180.7530000117.8
55P53.3Low40.6Very low114 Ų114127.2 Ų127.274%0.7478%0.775SS**  cis-134.2162.9-10.829.4-7.3000118
56D34.2Very low40.9Very low153 Ų153129.6 Ų129.682%0.81878%0.775SS**  trans13.4171139.6-92.9-45.3000124.8
57P50.6Low41.9Very low106 Ų106127 Ų12769%0.68877%0.768SS**  cis-136.4168.3-5.233.4-13.5000117.2
58S32.7Very low42.4Very low112 Ų112130.3 Ų130.378%0.78377%0.769SS**  trans-179.6100.2133.6-81.90000114.9
59T36Very low42Very low139 Ų139133.6 Ų133.685%0.85378%0.78SS**  trans36.6101.7135.2-37.30000120.8
60S36.5Very low42.5Very low117 Ų117130.8 Ų130.882%0.81877%0.768SS**  -168.9127.2117.2520000111.4
61A43.3Very low43.1Very low103 Ų103129.8 Ų129.885%0.85176%0.764SS**  trans-82126.5177.800000110.8
62Q37.1Very low44.1Very low189 Ų189127 Ų12788%0.88375%0.75SS**  trans-134.3131154.8-70.5-163.9-1.200110.2
63S37.8Very low44.6Very low114 Ų114125 Ų12580%0.79774%0.742SS**  trans-68.4131.3-171.845.40000113.1H65S63-H65 PolarHBondContact O-N 3.34Å
64T40.7Very low46.1Very low131 Ų131122.6 Ų122.680%0.80474%0.735SS**  trans-70.891.1168.848.60000111.1F66T64-F66 PolarHBondContact O-N 2.99Å
65H40.5Very low47.7Very low153 Ų153120.1 Ų120.171%0.70872%0.72SS**  trans-77.3104.6168.5-175.7-57.4000109.9S63 P67S63-H65 PolarHBondContact O-N 3.34Å; H65-P67 WeakPolarHBondContact O-CD 3.34Å
66F41.3Very low48.7Very low176 Ų176116.8 Ų116.877%0.77270%0.702SS**PPolyproline II helixtrans-62.4122.1166.9-89-94.6000110.2T64 F68T64-F66 PolarHBondContact O-N 2.99Å; F66-F68 PolarHBondContact O-N 3.43Å
67P51.6Low51Low110 Ų110114.4 Ų114.471%0.71469%0.689SS**PPolyproline II helixtrans-67.1129.5170.1-16.831.8000109.8H65H65-P67 WeakPolarHBondContact O-CD 3.34Å
68F42.1Very low52.7Low176 Ų176112.6 Ų112.677%0.77268%0.679SS**PPolyproline II helixtrans-60.9137.8179.8-100.8-113.7000111.9F66 A70F66-F68 PolarHBondContact O-N 3.43Å; F68-A70 HydrophobicContact CB-CB 4.41Å; F68-A70 PolarHBondContact O-N 3.37Å
69L54.4Low55.4Low166 Ų166112.3 Ų112.387%0.86967%0.669SS**THydrogen-bonded Turntrans-75.948173.4-70167.5000112.5
70A49.3Very low58Low72 Ų72109 Ų10960%0.59565%0.645SS**THydrogen-bonded Turntrans-109.3-31.9-17800000113.6F68 S72F68-A70 HydrophobicContact CB-CB 4.41Å; F68-A70 PolarHBondContact O-N 3.37Å; A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.39Å
71D52Low60.7Low116 Ų116109.2 Ų109.262%0.6264%0.635SS**THydrogen-bonded Turntrans-83-2.5-174.2-65.4-47000114.6A73 A74 T75D71-A73 VanDerWaalsContact C-N 3.25Å; D71-A73 PolarHBondContact O-N 2.87Å; D71-A73 VanDerWaalsContact O-N 3.14Å; D71-A74 PolarHBondContact O-N 3.44Å; D71-A74 VanDerWaalsContact O-N 3.14Å; D71-T75 PolarHBondContact O-N 3.19Å; D71-T75 PolarHBondContact O-OG1 3.03Å
72S62.3Low63.1Low67 Ų67110.5 Ų110.547%0.46962%0.623SS.*Hα-helixtrans-54.7-35.9-172.7-45.10000113.7A70 T75 A76A70-S72 VanDerWaalsContact C-N 3.3Å; A70-S72 PolarHBondContact O-N 3.39Å; S72-T75 WeakPolarHBondContact CA-OG1 3.38Å; S72-T75 PolarHBondContact O-OG1 2.97Å; S72-A76 WeakPolarHBondContact O-CB 3.15Å; S72-A76 PolarHBondContact O-N 2.85Å
73A63Low65.8Low67 Ų67108.9 Ų108.955%0.55461%0.609SS**Hα-helixtrans-78.6-33.5-178.200000113.3D71 N77D71-A73 VanDerWaalsContact C-N 3.25Å; D71-A73 PolarHBondContact O-N 2.87Å; D71-A73 VanDerWaalsContact O-N 3.14Å; A73-N77 WeakPolarHBondContact O-CB 3.43Å; A73-N77 PolarHBondContact O-N 3.19Å; A73-N77 VanDerWaalsContact O-N 3.13Å; A73-N77 PolarHBondContact O-ND2 3.14Å
74A68.1Low68.5Low68 Ų68108.7 Ų108.756%0.56260%0.595SS**Hα-helixtrans-75.4-41.817700000110.9D71 N77 S78D71-A74 PolarHBondContact O-N 3.44Å; D71-A74 VanDerWaalsContact O-N 3.14Å; A74-N77 PolarHBondContact O-N 3.01Å; A74-S78 PolarHBondContact O-N 3.36Å; A74-S78 PolarHBondContact O-OG 2.95Å
75T74.1Confident71.2Confident73 Ų73109.7 Ų109.745%0.44859%0.586SS.*Hα-helixtrans-66.7-37.7173.350.30000112.5D71 S72 S78 L79D71-T75 PolarHBondContact O-N 3.19Å; D71-T75 PolarHBondContact O-OG1 3.03Å; S72-T75 WeakPolarHBondContact CA-OG1 3.38Å; S72-T75 PolarHBondContact O-OG1 2.97Å; T75-S78 WeakPolarHBondContact CA-OG 3.37Å; T75-S78 PolarHBondContact O-OG 2.81Å; T75-L79 WeakPolarHBondContact O-CB 3.23Å; T75-L79 VanDerWaalsContact O-CG 3.27Å; T75-L79 WeakPolarHBondContact O-CG 3.12Å; T75-L79 PolarHBondContact O-N 3.05Å
76A74.1Confident73.8Confident44 Ų44108.2 Ų108.236%0.36458%0.579SS.*Hα-helixtrans-64.2-40.5172.300000112.6S72 L80S72-A76 WeakPolarHBondContact O-CB 3.15Å; S72-A76 PolarHBondContact O-N 2.85Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CD1 3.27Å; A76-L80 WeakPolarHBondContact O-CG 3.27Å; A76-L80 PolarHBondContact O-N 3.33Å
77N83.9Confident76.4Confident103 Ų103107.6 Ų107.655%0.55157%0.572SS**Hα-helixtrans-67.4-40177.1-89.3-71.7000112.8A73 A74 L80 M81A73-N77 WeakPolarHBondContact O-CB 3.43Å; A73-N77 PolarHBondContact O-N 3.19Å; A73-N77 VanDerWaalsContact O-N 3.13Å; A73-N77 PolarHBondContact O-ND2 3.14Å; A74-N77 PolarHBondContact O-N 3.01Å; N77-L80 WeakPolarHBondContact O-CB 3.47Å; N77-L80 PolarHBondContact O-N 3.44Å; N77-M81 PolarHBondContact O-N 3.14Å
78S86.4Confident78.6Confident69 Ų69108.4 Ų108.448%0.48357%0.566SS.*Hα-helixtrans-67.4-39.4176.157.30000112.1A74 T75 M81 Q82A74-S78 PolarHBondContact O-N 3.36Å; A74-S78 PolarHBondContact O-OG 2.95Å; T75-S78 WeakPolarHBondContact CA-OG 3.37Å; T75-S78 PolarHBondContact O-OG 2.81Å; S78-M81 PolarHBondContact O-N 3.12Å; S78-Q82 WeakPolarHBondContact O-CB 3.4Å; S78-Q82 PolarHBondContact O-N 3.26Å
79L88.8Confident81.2Confident106 Ų106103.4 Ų103.456%0.55555%0.547SS*.Hα-helixtrans-64.7-36.4171.9-70.9170.4000112.8T75 R83T75-L79 WeakPolarHBondContact O-CB 3.23Å; T75-L79 VanDerWaalsContact O-CG 3.27Å; T75-L79 WeakPolarHBondContact O-CG 3.12Å; T75-L79 PolarHBondContact O-N 3.05Å; L79-R83 WeakPolarHBondContact O-CB 3.2Å; L79-R83 PolarHBondContact O-N 3.36Å
80L91Very high83.2Confident68 Ų6899.9 Ų99.936%0.35653%0.529SS..Hα-helixtrans-62.1-49.7172.8-89.8159000111.8A76 N77 R83 Q84A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CD1 3.27Å; A76-L80 WeakPolarHBondContact O-CG 3.27Å; A76-L80 PolarHBondContact O-N 3.33Å; N77-L80 WeakPolarHBondContact O-CB 3.47Å; N77-L80 PolarHBondContact O-N 3.44Å; L80-R83 VanDerWaalsContact CD2-NH1 3.33Å; L80-R83 PolarHBondContact O-N 3.01Å; L80-Q84 WeakPolarHBondContact O-CG 3.29Å; L80-Q84 PolarHBondContact O-N 3.28Å
81M92Very high85.5Confident123 Ų123101 Ų10161%0.60652%0.524SS*.Hα-helixtrans-61.4-44176-85.5-68.9138.200112.2N77 S78 R83 Q84 Y85N77-M81 PolarHBondContact O-N 3.14Å; S78-M81 PolarHBondContact O-N 3.12Å; M81-R83 VanDerWaalsContact C-N 3.31Å; M81-R83 PolarHBondContact O-N 2.96Å; M81-Q84 PolarHBondContact O-N 3.13Å; M81-Y85 WeakPolarHBondContact O-CB 3.17Å; M81-Y85 PolarHBondContact O-N 3.48Å
82Q93.6Very high87.6Confident130 Ų130100.2 Ų100.261%0.60752%0.517SS*.Hα-helixtrans-61.1-40.6177.4-170.2177.211.200111.6S78 H86S78-Q82 WeakPolarHBondContact O-CB 3.4Å; S78-Q82 PolarHBondContact O-N 3.26Å; Q82-H86 WeakPolarHBondContact O-CB 3.28Å; Q82-H86 PolarHBondContact O-N 2.96Å
83R94.8Very high89.2Confident154 Ų154103.2 Ų103.258%0.58152%0.524SS*.Hα-helixtrans-65.5-42.8174.9-167.7-178.673.7-107.53.8112.1L79 L80 M81 H86 Y87L79-R83 WeakPolarHBondContact O-CB 3.2Å; L79-R83 PolarHBondContact O-N 3.36Å; L80-R83 VanDerWaalsContact CD2-NH1 3.33Å; L80-R83 PolarHBondContact O-N 3.01Å; M81-R83 VanDerWaalsContact C-N 3.31Å; M81-R83 PolarHBondContact O-N 2.96Å; R83-H86 PolarHBondContact O-N 3.27Å; R83-Y87 WeakPolarHBondContact O-CB 3.31Å; R83-Y87 PolarHBondContact O-N 3.21Å
84Q95Very high90.8Very high110 Ų110106.8 Ų106.851%0.51453%0.529SS..Hα-helixtrans-64.1-42.6177.2-74.9-179.6-52.800112L80 M81 H86 Y87 H88L80-Q84 WeakPolarHBondContact O-CG 3.29Å; L80-Q84 PolarHBondContact O-N 3.28Å; M81-Q84 PolarHBondContact O-N 3.13Å; Q84-H86 PolarHBondContact O-N 3.22Å; Q84-Y87 PolarHBondContact O-N 2.99Å; Q84-H88 PolarHBondContact O-N 3.32Å
85Y95.9Very high92.1Very high152 Ų152110 Ų11060%0.59653%0.532SS*.Hα-helixtrans-59-46.3173.7177.5-98.9000111.9M81 Y87 H88 L89M81-Y85 WeakPolarHBondContact O-CB 3.17Å; M81-Y85 PolarHBondContact O-N 3.48Å; Y85-Y87 VanDerWaalsContact C-N 3.33Å; Y85-Y87 PolarHBondContact O-N 2.95Å; Y85-H88 PolarHBondContact O-N 2.73Å; Y85-L89 HydrophobicContact CD1-CD1 4.22Å; Y85-L89 HydrophobicContact CD2-CD1 4.28Å; Y85-L89 HydrophobicContact CE1-CD1 3.7Å; Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 HydrophobicContact CE2-CD1 3.77Å; Y85-L89 HydrophobicContact CG-CD1 4.49Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.45Å; Y85-L89 PolarHBondContact O-N 2.88Å
86H95.8Very high93.1Very high123 Ų123111.9 Ų111.957%0.56954%0.536SS*.Hα-helixtrans-63.4-39.2178.6-157.881.3000112.2Q82 R83 Q84 H88 L89 L90Q82-H86 WeakPolarHBondContact O-CB 3.28Å; Q82-H86 PolarHBondContact O-N 2.96Å; R83-H86 PolarHBondContact O-N 3.27Å; Q84-H86 PolarHBondContact O-N 3.22Å; H86-H88 VanDerWaalsContact C-N 3.34Å; H86-H88 PolarHBondContact O-N 3.3Å; H86-L89 PolarHBondContact O-N 3.04Å; H86-L90 PolarHBondContact O-N 3.48Å; H86-L90 VanDerWaalsContact O-N 3.07Å
87Y96.6Very high94.1Very high162 Ų162114.8 Ų114.864%0.63555%0.545SS*.Hα-helixtrans-63.9-39.3174.9-151.6-94.5000112.1R83 Q84 Y85 L90 L91R83-Y87 WeakPolarHBondContact O-CB 3.31Å; R83-Y87 PolarHBondContact O-N 3.21Å; Q84-Y87 PolarHBondContact O-N 2.99Å; Y85-Y87 VanDerWaalsContact C-N 3.33Å; Y85-Y87 PolarHBondContact O-N 2.95Å; Y87-L90 WeakPolarHBondContact O-CB 3.46Å; Y87-L90 PolarHBondContact O-N 2.95Å; Y87-L91 HydrophobicContact CD1-CD1 3.56Å; Y87-L91 HydrophobicContact CE1-CD1 3.52Å; Y87-L91 WeakPolarHBondContact O-CD1 3.41Å; Y87-L91 PolarHBondContact O-N 3.26Å
88H96.6Very high94.7Very high127 Ų127112.4 Ų112.459%0.58854%0.539SS*.Hα-helixtrans-66.7-37.9176.9-163.9-91.3000112.5Q84 Y85 H86 L90 L91 Q92Q84-H88 PolarHBondContact O-N 3.32Å; Y85-H88 PolarHBondContact O-N 2.73Å; H86-H88 VanDerWaalsContact C-N 3.34Å; H86-H88 PolarHBondContact O-N 3.3Å; H88-L90 VanDerWaalsContact C-N 3.35Å; H88-L91 PolarHBondContact O-N 3.35Å; H88-Q92 PolarHBondContact O-N 2.92Å
89L97.5Very high95.1Very high71 Ų71114.4 Ų114.437%0.37254%0.542SS..Hα-helixtrans-61.9-41.6170.5-10270.5000112Y85 H86 Q92 Q93Y85-L89 HydrophobicContact CD1-CD1 4.22Å; Y85-L89 HydrophobicContact CD2-CD1 4.28Å; Y85-L89 HydrophobicContact CE1-CD1 3.7Å; Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 HydrophobicContact CE2-CD1 3.77Å; Y85-L89 HydrophobicContact CG-CD1 4.49Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.45Å; Y85-L89 PolarHBondContact O-N 2.88Å; H86-L89 PolarHBondContact O-N 3.04Å; L89-Q92 PolarHBondContact O-N 3.39Å; L89-Q93 PolarHBondContact O-N 3.01Å
90L97.4Very high95.4Very high93 Ų93111.9 Ų111.949%0.48754%0.537SS..Hα-helixtrans-61.7-44.8178.2-124.877.6000112H86 Y87 H88 Q93 Q94H86-L90 PolarHBondContact O-N 3.48Å; H86-L90 VanDerWaalsContact O-N 3.07Å; Y87-L90 WeakPolarHBondContact O-CB 3.46Å; Y87-L90 PolarHBondContact O-N 2.95Å; H88-L90 VanDerWaalsContact C-N 3.35Å; L90-Q93 PolarHBondContact O-N 2.89Å; L90-Q94 WeakPolarHBondContact O-CB 3.42Å; L90-Q94 PolarHBondContact O-N 2.94Å
91L96.9Very high95.5Very high94 Ų94114.6 Ų114.649%0.49255%0.548SS..Hα-helixtrans-62.3-42.7174.7-94.382.5000112Y87 H88 Q94 Q95Y87-L91 HydrophobicContact CD1-CD1 3.56Å; Y87-L91 HydrophobicContact CE1-CD1 3.52Å; Y87-L91 WeakPolarHBondContact O-CD1 3.41Å; Y87-L91 PolarHBondContact O-N 3.26Å; H88-L91 PolarHBondContact O-N 3.35Å; L91-Q94 PolarHBondContact O-N 3.46Å; L91-Q95 WeakPolarHBondContact O-CB 3.45Å; L91-Q95 PolarHBondContact O-N 3.3Å
92Q96.3Very high95.6Very high101 Ų101114.8 Ų114.847%0.47255%0.547SS..Hα-helixtrans-62.5-43.9178.5-175.5176.398.900111.6H88 L89 Q95 Q96H88-Q92 PolarHBondContact O-N 2.92Å; L89-Q92 PolarHBondContact O-N 3.39Å; Q92-Q95 PolarHBondContact O-N 3.13Å; Q92-Q96 WeakPolarHBondContact O-CG 3.34Å; Q92-Q96 PolarHBondContact O-N 3.03Å
93Q96.1Very high95.7Very high130 Ų130114.9 Ų114.961%0.60755%0.547SS*.Hα-helixtrans-62.2-45.4175.4-173-168.3100.700111.4L89 L90 Q95 Q96 L97L89-Q93 PolarHBondContact O-N 3.01Å; L90-Q93 PolarHBondContact O-N 2.89Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-Q95 PolarHBondContact O-N 3.5Å; Q93-Q96 PolarHBondContact O-N 3.39Å; Q93-L97 PolarHBondContact O-N 3.28Å
94Q95.6Very high95.5Very high141 Ų141113.3 Ų113.366%0.65955%0.55SS*.Hα-helixtrans-60.6-42.2178.2-173.6-175.591.400111.7L90 L91 L97 A98L90-Q94 WeakPolarHBondContact O-CB 3.42Å; L90-Q94 PolarHBondContact O-N 2.94Å; L91-Q94 PolarHBondContact O-N 3.46Å; Q94-L97 PolarHBondContact O-N 2.92Å; Q94-A98 WeakPolarHBondContact O-CB 3.5Å; Q94-A98 PolarHBondContact O-N 3.19Å
95Q95.6Very high95.4Very high137 Ų137110.5 Ų110.564%0.6455%0.545SS*.Hα-helixtrans-65.5-40.4177.6-174.7174.684.800112.3L91 Q92 Q93 A98 M99L91-Q95 WeakPolarHBondContact O-CB 3.45Å; L91-Q95 PolarHBondContact O-N 3.3Å; Q92-Q95 PolarHBondContact O-N 3.13Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-Q95 PolarHBondContact O-N 3.5Å; Q95-A98 PolarHBondContact O-N 3.33Å; Q95-M99 PolarHBondContact O-N 3.21Å
96Q95.2Very high95.2Very high112 Ų112108 Ų10852%0.52354%0.542SS..Hα-helixtrans-62-43.8173.2-72172.36.800111.6Q92 Q93 M99 A100Q92-Q96 WeakPolarHBondContact O-CG 3.34Å; Q92-Q96 PolarHBondContact O-N 3.03Å; Q93-Q96 PolarHBondContact O-N 3.39Å; Q96-M99 PolarHBondContact O-N 3.3Å; Q96-A100 WeakPolarHBondContact O-CB 3.49Å; Q96-A100 PolarHBondContact O-N 3.39Å
97L95.8Very high94.9Very high104 Ų104104.9 Ų104.955%0.54554%0.537SS..Hα-helixtrans-64.3-41.4178.3-160.875.1000111.8Q93 Q94 A100 Q101Q93-L97 PolarHBondContact O-N 3.28Å; Q94-L97 PolarHBondContact O-N 2.92Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-Q101 WeakPolarHBondContact O-CB 3.42Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 3.18Å
98A96Very high94.4Very high53 Ų53100 Ų10044%0.43853%0.53SS..Hα-helixtrans-62.6-42.8175.800000112.2Q94 Q95 Q101 H102Q94-A98 WeakPolarHBondContact O-CB 3.5Å; Q94-A98 PolarHBondContact O-N 3.19Å; Q95-A98 PolarHBondContact O-N 3.33Å; A98-Q101 PolarHBondContact O-N 3.01Å; A98-H102 WeakPolarHBondContact O-CB 3.42Å; A98-H102 PolarHBondContact O-N 2.95Å
99M94.8Very high93.9Very high111 Ų11197.8 Ų97.855%0.54753%0.529SS..Hα-helixtrans-64.9-40.8173.9-73.4-150.3-63.200112.5Q95 Q96 H102 Q103Q95-M99 PolarHBondContact O-N 3.21Å; Q96-M99 PolarHBondContact O-N 3.3Å; M99-H102 PolarHBondContact O-N 3.11Å; M99-Q103 WeakPolarHBondContact O-CG 3.36Å; M99-Q103 PolarHBondContact O-N 2.87Å
100A94.1Very high93.1Very high53 Ų5397.3 Ų97.344%0.43854%0.536SS..Hα-helixtrans-63.5-42.7176.900000112Q96 L97 Q103 L104Q96-A100 WeakPolarHBondContact O-CB 3.49Å; Q96-A100 PolarHBondContact O-N 3.39Å; L97-A100 PolarHBondContact O-N 2.85Å; A100-Q103 PolarHBondContact O-N 3.29Å; A100-L104 WeakPolarHBondContact O-CB 3.25Å; A100-L104 PolarHBondContact O-N 3.41Å
101Q93.3Very high92.2Very high126 Ų12695.4 Ų95.459%0.58953%0.533SS*.Hα-helixtrans-63.8-39.3174.5-75-179.5-18.200112.2L97 A98 L104 A105L97-Q101 WeakPolarHBondContact O-CB 3.42Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 3.18Å; A98-Q101 PolarHBondContact O-N 3.01Å; Q101-L104 PolarHBondContact O-N 3.05Å; Q101-A105 WeakPolarHBondContact O-CB 3.42Å; Q101-A105 PolarHBondContact O-N 3.08Å
102H94.8Very high91.1Very high126 Ų12694 Ų9458%0.58354%0.535SS*.Hα-helixtrans-63.4-45.8175.3-174.367.3000111.8A98 M99 L104 A105 L106A98-H102 WeakPolarHBondContact O-CB 3.42Å; A98-H102 PolarHBondContact O-N 2.95Å; M99-H102 PolarHBondContact O-N 3.11Å; H102-L104 VanDerWaalsContact C-N 3.33Å; H102-L104 PolarHBondContact O-N 3.24Å; H102-A105 PolarHBondContact O-N 2.79Å; H102-L106 WeakPolarHBondContact NE2-CD1 3.38Å; H102-L106 WeakPolarHBondContact O-CD1 3.26Å; H102-L106 PolarHBondContact O-N 3.43Å
103Q94.9Very high90Very high132 Ų13291.8 Ų91.862%0.61753%0.534SS*.Hα-helixtrans-60.9-41.6174.9-70.4175.926.300112M99 A100 A105 L106 A107M99-Q103 WeakPolarHBondContact O-CG 3.36Å; M99-Q103 PolarHBondContact O-N 2.87Å; A100-Q103 PolarHBondContact O-N 3.29Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.19Å; Q103-L106 PolarHBondContact O-N 3.09Å; Q103-A107 WeakPolarHBondContact O-CB 3.09Å; Q103-A107 PolarHBondContact O-N 3.36Å
104L92.4Very high88.7Confident121 Ų12188.8 Ų88.863%0.63453%0.528SS*.Hα-helixtrans-63.2-39.5175.5-175.563000111.9A100 Q101 H102 A107 A108A100-L104 WeakPolarHBondContact O-CB 3.25Å; A100-L104 PolarHBondContact O-N 3.41Å; Q101-L104 PolarHBondContact O-N 3.05Å; H102-L104 VanDerWaalsContact C-N 3.33Å; H102-L104 PolarHBondContact O-N 3.24Å; L104-A107 PolarHBondContact O-N 2.79Å; L104-A108 VanDerWaalsContact O-CB 3.28Å; L104-A108 WeakPolarHBondContact O-CB 3.47Å; L104-A108 PolarHBondContact O-N 3.36Å
105A92.6Very high87.3Confident51 Ų5184.7 Ų84.742%0.42152%0.518SS..Hα-helixtrans-65.4-41.4175.900000112.6Q101 H102 Q103 S109Q101-A105 WeakPolarHBondContact O-CB 3.42Å; Q101-A105 PolarHBondContact O-N 3.08Å; H102-A105 PolarHBondContact O-N 2.79Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.19Å; A105-S109 WeakPolarHBondContact O-CB 3.18Å; A105-S109 PolarHBondContact O-N 2.97Å; A105-S109 PolarHBondContact O-OG 2.88Å
106L91.9Very high85.7Confident101 Ų10181.7 Ų81.753%0.52951%0.512SS..Hα-helixtrans-63.2-45.1171.2-87.792.1000111.9H102 Q103 A108 S109 A110H102-L106 WeakPolarHBondContact NE2-CD1 3.38Å; H102-L106 WeakPolarHBondContact O-CD1 3.26Å; H102-L106 PolarHBondContact O-N 3.43Å; Q103-L106 PolarHBondContact O-N 3.09Å; L106-A108 PolarHBondContact O-N 3.49Å; L106-S109 PolarHBondContact O-N 3.31Å; L106-A110 WeakPolarHBondContact O-CB 3.41Å; L106-A110 PolarHBondContact O-N 2.65Å
107A88.6Confident84.2Confident57 Ų5782.4 Ų82.447%0.47152%0.515SS..Hα-helixtrans-62.7-42.5179.100000112.1Q103 L104 A110 A111Q103-A107 WeakPolarHBondContact O-CB 3.09Å; Q103-A107 PolarHBondContact O-N 3.36Å; L104-A107 PolarHBondContact O-N 2.79Å; A107-A110 PolarHBondContact O-N 3.5Å; A107-A111 VanDerWaalsContact O-CB 3.31Å; A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 3.07Å
108A86.7Confident82.8Confident58 Ų5882.9 Ų82.948%0.47951%0.514SS..Hα-helixtrans-64.1-39174.500000112L104 L106 A111 A112L104-A108 VanDerWaalsContact O-CB 3.28Å; L104-A108 WeakPolarHBondContact O-CB 3.47Å; L104-A108 PolarHBondContact O-N 3.36Å; L106-A108 PolarHBondContact O-N 3.49Å; A108-A111 PolarHBondContact O-N 3.02Å; A108-A112 WeakPolarHBondContact O-CB 3.32Å; A108-A112 PolarHBondContact O-N 2.98Å
109S84.9Confident81.5Confident81 Ų8186.5 Ų86.557%0.56652%0.522SS*.Hα-helixtrans-67.7-41.3177.1-56.50000111.8A105 L106 A112 A113A105-S109 WeakPolarHBondContact O-CB 3.18Å; A105-S109 PolarHBondContact O-N 2.97Å; A105-S109 PolarHBondContact O-OG 2.88Å; L106-S109 PolarHBondContact O-N 3.31Å; S109-A112 PolarHBondContact O-N 3.4Å; S109-A113 PolarHBondContact O-N 3.3Å
110A80.6Confident80.4Confident62 Ų6284.9 Ų84.951%0.51252%0.518SS..Hα-helixtrans-64.3-42173.500000111.8L106 A107 A113 S114L106-A110 WeakPolarHBondContact O-CB 3.41Å; L106-A110 PolarHBondContact O-N 2.65Å; A107-A110 PolarHBondContact O-N 3.5Å; A110-A113 PolarHBondContact O-N 3.22Å; A110-S114 PolarHBondContact O-N 3.47Å; A110-S114 PolarHBondContact O-OG 2.99Å
111A78.4Confident79.5Confident53 Ų5387.2 Ų87.244%0.43852%0.524SS..Hα-helixtrans-65-38.317600000112.6A107 A108 S114 A115A107-A111 VanDerWaalsContact O-CB 3.31Å; A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 3.07Å; A108-A111 PolarHBondContact O-N 3.02Å; A111-S114 WeakPolarHBondContact CA-OG 3.41Å; A111-S114 PolarHBondContact O-N 2.94Å; A111-S114 PolarHBondContact O-OG 2.77Å; A111-A115 VanDerWaalsContact O-CB 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 2.84Å
112A75.4Confident79Confident64 Ų6486.3 Ų86.353%0.52952%0.519SS..Hα-helixtrans-65.4-41.1174.200000111.9A108 S109 A115 S116A108-A112 WeakPolarHBondContact O-CB 3.32Å; A108-A112 PolarHBondContact O-N 2.98Å; S109-A112 PolarHBondContact O-N 3.4Å; A112-A115 PolarHBondContact O-N 2.77Å; A112-S116 PolarHBondContact O-N 2.86Å; A112-S116 VanDerWaalsContact O-N 3.11Å
113A71.8Confident78.5Confident55 Ų5584.6 Ų84.646%0.45551%0.514SS..Hα-helixtrans-64-43.3174.800000112.2S109 A110 H117S109-A113 PolarHBondContact O-N 3.3Å; A110-A113 PolarHBondContact O-N 3.22Å; A113-H117 PolarHBondContact O-N 2.72Å
114S68.8Low78Confident67 Ų6781 Ų8147%0.46951%0.506SS..Hα-helixtrans-68.6-37.3176.359.20000112.9A110 A111 H117 Q118A110-S114 PolarHBondContact O-N 3.47Å; A110-S114 PolarHBondContact O-OG 2.99Å; A111-S114 WeakPolarHBondContact CA-OG 3.41Å; A111-S114 PolarHBondContact O-N 2.94Å; A111-S114 PolarHBondContact O-OG 2.77Å; S114-H117 PolarHBondContact O-N 3.33Å; S114-Q118 VanDerWaalsContact O-CB 3.3Å; S114-Q118 WeakPolarHBondContact O-CB 3.48Å; S114-Q118 PolarHBondContact O-N 3.15Å
115A66.3Low77.7Confident54 Ų5483.7 Ų83.745%0.44651%0.508SS..Hα-helixtrans-63.5-41.3177.500000112A111 A112 Q118 Q119A111-A115 VanDerWaalsContact O-CB 3.27Å; A111-A115 WeakPolarHBondContact O-CB 3.45Å; A111-A115 PolarHBondContact O-N 2.84Å; A112-A115 PolarHBondContact O-N 2.77Å; A115-Q118 PolarHBondContact O-N 3.45Å; A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 3.01Å
116S63.3Low77.6Confident74 Ų7484.5 Ų84.552%0.51751%0.51SS..Hα-helixtrans-61.5-47.3175.5-172.40000111.9A112 Q119 T120A112-S116 PolarHBondContact O-N 2.86Å; A112-S116 VanDerWaalsContact O-N 3.11Å; S116-Q119 PolarHBondContact O-N 3.21Å; S116-T120 PolarHBondContact O-N 2.77Å; S116-T120 PolarHBondContact O-OG1 2.65Å
117H63Low77.5Confident127 Ų12784.9 Ų84.959%0.58851%0.512SS*.Hα-helixtrans-62.9-47175.8-89.2-69.5000112.4A113 S114 Q119 T120 D121A113-H117 PolarHBondContact O-N 2.72Å; S114-H117 PolarHBondContact O-N 3.33Å; H117-Q119 VanDerWaalsContact C-N 3.31Å; H117-Q119 PolarHBondContact O-N 2.87Å; H117-T120 PolarHBondContact O-N 3.3Å; H117-T120 VanDerWaalsContact O-N 3.12Å; H117-T120 PolarHBondContact O-OG1 3.38Å; H117-D121 PolarHBondContact O-N 3.35Å
118Q66.7Low77.4Confident114 Ų11488.7 Ų88.753%0.53352%0.519SS..Hα-helixtrans-59.4-41.5179.6-176.1176.5-12.100111.8S114 A115 T120 D121 E122S114-Q118 VanDerWaalsContact O-CB 3.3Å; S114-Q118 WeakPolarHBondContact O-CB 3.48Å; S114-Q118 PolarHBondContact O-N 3.15Å; A115-Q118 PolarHBondContact O-N 3.45Å; Q118-T120 PolarHBondContact O-N 3.5Å; Q118-D121 PolarHBondContact O-N 3.29Å; Q118-E122 HydrophobicContact CG-CG 4.48Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.16Å; Q118-E122 PolarHBondContact NE2-OE1 2.96Å; Q118-E122 WeakPolarHBondContact O-CB 3.23Å; Q118-E122 WeakPolarHBondContact O-CG 3.46Å; Q118-E122 PolarHBondContact O-N 3.33Å
119Q68.8Low77.4Confident130 Ų13090.2 Ų90.261%0.60752%0.518SS*.Hα-helixtrans-63.1-41.5176.5-170.6176.66.100111.9A115 S116 H117 I123A115-Q119 WeakPolarHBondContact O-CB 3.49Å; A115-Q119 PolarHBondContact O-N 3.01Å; S116-Q119 PolarHBondContact O-N 3.21Å; H117-Q119 VanDerWaalsContact C-N 3.31Å; H117-Q119 PolarHBondContact O-N 2.87Å; Q119-I123 HydrophobicContact CG-CD1 4.21Å; Q119-I123 WeakPolarHBondContact O-CD1 3.44Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.44Å; Q119-I123 PolarHBondContact O-N 3.35Å; Q119-I123 VanDerWaalsContact O-N 3.14Å
120T70.8Confident77.5Confident76 Ų7693 Ų9347%0.46652%0.52SS..Hα-helixtrans-66.7-37175.553.40000112.9S116 H117 Q118 I123 A124S116-T120 PolarHBondContact O-N 2.77Å; S116-T120 PolarHBondContact O-OG1 2.65Å; H117-T120 PolarHBondContact O-N 3.3Å; H117-T120 VanDerWaalsContact O-N 3.12Å; H117-T120 PolarHBondContact O-OG1 3.38Å; Q118-T120 PolarHBondContact O-N 3.5Å; T120-I123 PolarHBondContact O-N 3.24Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.28Å
121D75.4Confident77.7Confident102 Ų10292.1 Ų92.155%0.54551%0.513SS..Hα-helixtrans-70.9-35178.7-73.7-28.3000112.4H117 Q118 R125H117-D121 PolarHBondContact O-N 3.35Å; Q118-D121 PolarHBondContact O-N 3.29Å; D121-R125 WeakPolarHBondContact O-CB 3.38Å; D121-R125 PolarHBondContact O-N 2.67Å
122E84.1Confident77.9Confident107 Ų10795.1 Ų95.150%0.552%0.517SS..Hα-helixtrans-70.2-37.4174.6-74.2178.7-165.700112.1Q118 S126Q118-E122 HydrophobicContact CG-CG 4.48Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.16Å; Q118-E122 PolarHBondContact NE2-OE1 2.96Å; Q118-E122 WeakPolarHBondContact O-CB 3.23Å; Q118-E122 WeakPolarHBondContact O-CG 3.46Å; Q118-E122 PolarHBondContact O-N 3.33Å; E122-S126 WeakPolarHBondContact O-CB 3.46Å; E122-S126 PolarHBondContact O-N 3.2Å; E122-S126 PolarHBondContact O-OG 2.98Å
123I83.6Confident77.9Confident90 Ų9097 Ų9746%0.46252%0.522SS..Hα-helixtrans-65.5-47.3171.7-66.6165.3000110.3Q119 T120 R125 S126 L127Q119-I123 HydrophobicContact CG-CD1 4.21Å; Q119-I123 WeakPolarHBondContact O-CD1 3.44Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.44Å; Q119-I123 PolarHBondContact O-N 3.35Å; Q119-I123 VanDerWaalsContact O-N 3.14Å; T120-I123 PolarHBondContact O-N 3.24Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.93Å; I123-S126 WeakPolarHBondContact CA-OG 3.32Å; I123-S126 PolarHBondContact O-N 3.43Å; I123-S126 PolarHBondContact O-OG 3.3Å; I123-L127 HydrophobicContact CG2-CD1 3.89Å; I123-L127 HydrophobicContact CG2-CG 4.46Å; I123-L127 WeakPolarHBondContact O-CB 3.36Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.14Å; I123-L127 PolarHBondContact O-N 3.41Å
124A84.6Confident78Confident56 Ų5698 Ų9846%0.46352%0.523SS..Hα-helixtrans-62.1-40.3176.600000112.4T120 K128T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.28Å; A124-K128 VanDerWaalsContact O-CB 3.28Å; A124-K128 WeakPolarHBondContact O-CB 3.37Å; A124-K128 PolarHBondContact O-N 2.71Å
125R86.1Confident77.9Confident179 Ų17998.4 Ų98.468%0.67552%0.523SS*.Hα-helixtrans-65.8-45.3176.6178.3-177.5-78.1-167.5-3111.8D121 I123 K128 I129D121-R125 WeakPolarHBondContact O-CB 3.38Å; D121-R125 PolarHBondContact O-N 2.67Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.93Å; R125-K128 PolarHBondContact O-N 3.02Å; R125-I129 HydrophobicContact CG-CD1 3.91Å; R125-I129 WeakPolarHBondContact O-CG1 3.49Å; R125-I129 PolarHBondContact O-N 2.86Å
126S89.9Confident77.4Confident67 Ų6797 Ų9747%0.46951%0.513SS..Hα-helixtrans-66.8-41179.253.20000112E122 I123 K128 I129 F130E122-S126 WeakPolarHBondContact O-CB 3.46Å; E122-S126 PolarHBondContact O-N 3.2Å; E122-S126 PolarHBondContact O-OG 2.98Å; I123-S126 WeakPolarHBondContact CA-OG 3.32Å; I123-S126 PolarHBondContact O-N 3.43Å; I123-S126 PolarHBondContact O-OG 3.3Å; S126-K128 VanDerWaalsContact C-N 3.35Å; S126-K128 PolarHBondContact O-N 3.48Å; S126-I129 PolarHBondContact O-N 3.06Å; S126-F130 WeakPolarHBondContact O-CB 3.45Å; S126-F130 PolarHBondContact O-N 3.06Å
127L89.2Confident76.8Confident109 Ų10997 Ų9757%0.57152%0.518SS*.Hα-helixtrans-61.6-39.8171-71.7171.4000112.3I123 F130 A131I123-L127 HydrophobicContact CG2-CD1 3.89Å; I123-L127 HydrophobicContact CG2-CG 4.46Å; I123-L127 WeakPolarHBondContact O-CB 3.36Å; I123-L127 VanDerWaalsContact O-CG 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.14Å; I123-L127 PolarHBondContact O-N 3.41Å; L127-F130 PolarHBondContact O-N 2.73Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 2.91Å
128K86.9Confident76.2Confident138 Ų13894.6 Ų94.660%0.652%0.52SS*.Hα-helixtrans-65.5-42.9176.1-176.4175.8-179.1176.70112.5A124 R125 S126 A131 Q132A124-K128 VanDerWaalsContact O-CB 3.28Å; A124-K128 WeakPolarHBondContact O-CB 3.37Å; A124-K128 PolarHBondContact O-N 2.71Å; R125-K128 PolarHBondContact O-N 3.02Å; S126-K128 VanDerWaalsContact C-N 3.35Å; S126-K128 PolarHBondContact O-N 3.48Å; K128-A131 PolarHBondContact O-N 2.9Å; K128-Q132 WeakPolarHBondContact O-CG 3.39Å; K128-Q132 PolarHBondContact O-N 3.39Å
129I86.8Confident75.5Confident89 Ų8995.6 Ų95.646%0.45652%0.524SS..Hα-helixtrans-65.5-43.9175.9-68.3165.9000110.1R125 S126 A131 Q132 V133R125-I129 HydrophobicContact CG-CD1 3.91Å; R125-I129 WeakPolarHBondContact O-CG1 3.49Å; R125-I129 PolarHBondContact O-N 2.86Å; S126-I129 PolarHBondContact O-N 3.06Å; I129-A131 PolarHBondContact O-N 3.3Å; I129-Q132 PolarHBondContact O-N 2.84Å; I129-V133 HydrophobicContact CG2-CG2 4.45Å; I129-V133 WeakPolarHBondContact O-CG2 3.36Å; I129-V133 PolarHBondContact O-N 3.31Å
130F87.7Confident74.6Confident141 Ų14195.9 Ų95.962%0.61853%0.53SS*.Hα-helixtrans-57.9-48175.4-179.3-97.5000111.4S126 L127 Q132 V133 T134S126-F130 WeakPolarHBondContact O-CB 3.45Å; S126-F130 PolarHBondContact O-N 3.06Å; L127-F130 PolarHBondContact O-N 2.73Å; F130-Q132 PolarHBondContact O-N 3.43Å; F130-V133 PolarHBondContact O-N 3.28Å; F130-T134 HydrophobicContact CD1-CG2 4.35Å; F130-T134 HydrophobicContact CE1-CG2 3.95Å; F130-T134 HydrophobicContact CE2-CG2 4.38Å; F130-T134 HydrophobicContact CZ-CG2 3.96Å; F130-T134 WeakPolarHBondContact O-CG2 3.43Å; F130-T134 PolarHBondContact O-N 3.42Å; F130-T134 PolarHBondContact O-OG1 3.39Å
131A85Confident73.6Confident43 Ų4396.5 Ų96.536%0.35554%0.543SS..Hα-helixtrans-55.9-49.5174.700000111.7L127 K128 I129 V133 T134 T135L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 2.91Å; K128-A131 PolarHBondContact O-N 2.9Å; I129-A131 PolarHBondContact O-N 3.3Å; A131-V133 VanDerWaalsContact C-N 3.33Å; A131-V133 PolarHBondContact O-N 3.04Å; A131-T134 WeakPolarHBondContact CA-OG1 3.45Å; A131-T134 PolarHBondContact O-N 3.42Å; A131-T134 VanDerWaalsContact O-N 3.09Å; A131-T134 PolarHBondContact O-OG1 2.94Å; A131-T135 WeakPolarHBondContact O-CG2 3.28Å; A131-T135 PolarHBondContact O-N 3.42Å; A131-T135 PolarHBondContact O-OG1 3Å
132Q81.3Confident72.5Confident115 Ų11596 Ų9654%0.53755%0.553SS.*Hα-helixtrans-60.2-38178.1-74.8177-35.100113.4K128 I129 F130 T135 G136K128-Q132 WeakPolarHBondContact O-CG 3.39Å; K128-Q132 PolarHBondContact O-N 3.39Å; I129-Q132 PolarHBondContact O-N 2.84Å; F130-Q132 PolarHBondContact O-N 3.43Å; Q132-T135 PolarHBondContact O-OG1 2.94Å; Q132-G136 PolarHBondContact O-N 3.26Å
133V77.1Confident71.2Confident103 Ų10393 Ų9362%0.62455%0.551SS**Hα-helixtrans-68.7-37.4175.1172.70000111I129 F130 A131I129-V133 HydrophobicContact CG2-CG2 4.45Å; I129-V133 WeakPolarHBondContact O-CG2 3.36Å; I129-V133 PolarHBondContact O-N 3.31Å; F130-V133 PolarHBondContact O-N 3.28Å; A131-V133 VanDerWaalsContact C-N 3.33Å; A131-V133 PolarHBondContact O-N 3.04Å
134T72.8Confident70.5Confident77 Ų7791.9 Ų91.947%0.47255%0.551SS.*Hα-helixtrans-73-31.9176.457.50000113.9F130 A131F130-T134 HydrophobicContact CD1-CG2 4.35Å; F130-T134 HydrophobicContact CE1-CG2 3.95Å; F130-T134 HydrophobicContact CE2-CG2 4.38Å; F130-T134 HydrophobicContact CZ-CG2 3.96Å; F130-T134 WeakPolarHBondContact O-CG2 3.43Å; F130-T134 PolarHBondContact O-N 3.42Å; F130-T134 PolarHBondContact O-OG1 3.39Å; A131-T134 WeakPolarHBondContact CA-OG1 3.45Å; A131-T134 PolarHBondContact O-N 3.42Å; A131-T134 VanDerWaalsContact O-N 3.09Å; A131-T134 PolarHBondContact O-OG1 2.94Å
135T66.4Low69.7Low76 Ų7696.4 Ų96.447%0.46656%0.564SS.*Hα-helixtrans-82.6-40.2176.661.40000112.2A131 Q132 A137 A138A131-T135 WeakPolarHBondContact O-CG2 3.28Å; A131-T135 PolarHBondContact O-N 3.42Å; A131-T135 PolarHBondContact O-OG1 3Å; Q132-T135 PolarHBondContact O-OG1 2.94Å; T135-A137 PolarHBondContact O-N 3.04Å; T135-A137 VanDerWaalsContact O-N 3.07Å; T135-A138 WeakPolarHBondContact O-CB 3.44Å; T135-A138 PolarHBondContact O-N 3.39Å
136G55.2Low68.8Low24 Ų2493.9 Ų93.925%0.24756%0.561CS.*Hα-helixtrans-60.3-21.217900000114.4Q132 N140Q132-G136 PolarHBondContact O-N 3.26Å; G136-N140 PolarHBondContact O-ND2 3.35Å
137A52.5Low68.1Low74 Ų7496 Ų9661%0.61257%0.566SS**Hα-helixtrans-74-22.1171.900000113.9T135T135-A137 PolarHBondContact O-N 3.04Å; T135-A137 VanDerWaalsContact O-N 3.07Å
138A49.3Very low67.5Low77 Ų7795.1 Ų95.164%0.63657%0.566SS**Hα-helixtrans-88.3-28.7-18000000113T135T135-A138 WeakPolarHBondContact O-CB 3.44Å; T135-A138 PolarHBondContact O-N 3.39Å
139E52.8Low67.1Low134 Ų13494.2 Ų94.263%0.62657%0.565SS**Hα-helixtrans-92.4-13.4-174.152-156.8130.600114.7
140N49.9Very low66.6Low137 Ų13795.7 Ų95.773%0.73357%0.57SS**SBendtrans-95.20.6173.2-72-78.5000114.6G136 A142G136-N140 PolarHBondContact O-ND2 3.35Å; N140-A142 VanDerWaalsContact C-N 3.34Å
141A49.4Very low66.1Low88 Ų8894.7 Ų94.773%0.72757%0.567SS**THydrogen-bonded Turntrans-86.2-1.5179.400000114.1
142A52Low65.6Low91 Ų9199.5 Ų99.575%0.75258%0.58SS**THydrogen-bonded Turntrans-109.81.6-178.300000114.1N140 S144N140-A142 VanDerWaalsContact C-N 3.34Å; A142-S144 PolarHBondContact O-N 2.91Å; A142-S144 VanDerWaalsContact O-N 3.09Å
143G56.4Low65.3Low46 Ų4697 Ų9747%0.47458%0.579SS.*  trans-67104167.300000109.6
144S69.1Low65.1Low66 Ų6696.8 Ų96.846%0.46258%0.578SS.*  trans-53.9142173.7-174.60000110A142 Q146 D147A142-S144 PolarHBondContact O-N 2.91Å; A142-S144 VanDerWaalsContact O-N 3.09Å; S144-Q146 PolarHBondContact O-N 3.2Å; S144-Q146 PolarHBondContact OG-OE1 3.36Å; S144-D147 VanDerWaalsContact O-CB 3.31Å; S144-D147 WeakPolarHBondContact O-CB 3.47Å; S144-D147 PolarHBondContact O-N 3.44Å
145M67.9Low65.1Low150 Ų15097.6 Ų97.674%0.73958%0.58SS**Hα-helixtrans-60.2-22-179.5-70.1-147.3-63.400112.8D147 M149M145-D147 VanDerWaalsContact C-N 3.29Å; M145-D147 PolarHBondContact O-N 3.49Å; M145-M149 WeakPolarHBondContact O-CE 3.34Å; M145-M149 WeakPolarHBondContact O-CG 3.46Å; M145-M149 PolarHBondContact O-N 2.98Å; M145-M149 VanDerWaalsContact O-N 3.12Å
146Q67.7Low64.8Low127 Ų12796.8 Ų96.859%0.59359%0.587SS**Hα-helixtrans-56.9-38.5168-80.972.213.600113S144 M149 Q150S144-Q146 PolarHBondContact O-N 3.2Å; S144-Q146 PolarHBondContact OG-OE1 3.36Å; Q146-M149 PolarHBondContact O-N 3.47Å; Q146-Q150 VanDerWaalsContact O-CB 3.29Å; Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 2.95Å
147D74.5Confident64.8Low111 Ų111105.2 Ų105.259%0.59461%0.612SS**Hα-helixtrans-71.8-41.7-175.8-143.721.5000111S144 M145 M149 Q150 E151S144-D147 VanDerWaalsContact O-CB 3.31Å; S144-D147 WeakPolarHBondContact O-CB 3.47Å; S144-D147 PolarHBondContact O-N 3.44Å; M145-D147 VanDerWaalsContact C-N 3.29Å; M145-D147 PolarHBondContact O-N 3.49Å; D147-M149 PolarHBondContact O-N 3.39Å; D147-Q150 WeakPolarHBondContact O-CB 3.39Å; D147-Q150 PolarHBondContact O-N 2.94Å; D147-E151 PolarHBondContact O-N 3.31Å
148V77.8Confident65.4Low91 Ų91105 Ų10555%0.55261%0.611SS**Hα-helixtrans-64.7-38.8173.7-177.30000111.6F152V148-F152 WeakPolarHBondContact O-CB 3.31Å; V148-F152 PolarHBondContact O-N 2.89Å; V148-F152 VanDerWaalsContact O-N 3.07Å
149M76.7Confident65.6Low118 Ų118106.6 Ų106.658%0.58162%0.617SS**Hα-helixtrans-70-34.3174-72.7-172.7-69.400112.3M145 Q146 D147 A153M145-M149 WeakPolarHBondContact O-CE 3.34Å; M145-M149 WeakPolarHBondContact O-CG 3.46Å; M145-M149 PolarHBondContact O-N 2.98Å; M145-M149 VanDerWaalsContact O-N 3.12Å; Q146-M149 PolarHBondContact O-N 3.47Å; D147-M149 PolarHBondContact O-N 3.39Å; M149-A153 WeakPolarHBondContact O-CB 3.46Å; M149-A153 PolarHBondContact O-N 3.49Å
150Q77.3Confident65.5Low121 Ų121107.6 Ų107.657%0.56563%0.627SS**Hα-helixtrans-66.8-45.4175.3-16866.844.500110.9Q146 D147 F152 A153 T154Q146-Q150 VanDerWaalsContact O-CB 3.29Å; Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 2.95Å; D147-Q150 WeakPolarHBondContact O-CB 3.39Å; D147-Q150 PolarHBondContact O-N 2.94Å; Q150-F152 PolarHBondContact O-N 3.43Å; Q150-A153 PolarHBondContact O-N 2.84Å; Q150-T154 WeakPolarHBondContact O-CG2 3.27Å; Q150-T154 PolarHBondContact O-N 3.42Å; Q150-T154 PolarHBondContact O-OG1 2.97Å
151E77.4Confident65.5Low119 Ų119108 Ų10856%0.55663%0.629SS**Hα-helixtrans-57.3-48.2174.1179.4175.7-158.100111D147 A153 T154 N155D147-E151 PolarHBondContact O-N 3.31Å; E151-A153 VanDerWaalsContact C-N 3.34Å; E151-A153 PolarHBondContact O-N 2.88Å; E151-T154 WeakPolarHBondContact CA-OG1 3.41Å; E151-T154 PolarHBondContact O-N 3.35Å; E151-T154 PolarHBondContact O-OG1 3.04Å; E151-N155 VanDerWaalsContact CG-ND2 3.33Å; E151-N155 WeakPolarHBondContact CG-ND2 3.4Å; E151-N155 PolarHBondContact O-N 3.08Å; E151-N155 PolarHBondContact O-ND2 3.1Å
152F74.2Confident65.7Low144 Ų144112.1 Ų112.163%0.63264%0.638SS**Hα-helixtrans-58.8-43176.9-174.8-96.8000112.5V148 Q150 N155V148-F152 WeakPolarHBondContact O-CB 3.31Å; V148-F152 PolarHBondContact O-N 2.89Å; V148-F152 VanDerWaalsContact O-N 3.07Å; Q150-F152 PolarHBondContact O-N 3.43Å; F152-N155 PolarHBondContact O-N 3.41Å
153A74.3Confident65.1Low62 Ų62110.8 Ų110.851%0.51263%0.633SS.*Hα-helixtrans-65.6-38.6176.400000112.6M149 Q150 E151M149-A153 WeakPolarHBondContact O-CB 3.46Å; M149-A153 PolarHBondContact O-N 3.49Å; Q150-A153 PolarHBondContact O-N 2.84Å; E151-A153 VanDerWaalsContact C-N 3.34Å; E151-A153 PolarHBondContact O-N 2.88Å
154T74.4Confident64.4Low99 Ų99118.9 Ų118.961%0.60765%0.649SS**Hα-helixtrans-73.3-23.7178.553.20000114.3Q150 E151 G156Q150-T154 WeakPolarHBondContact O-CG2 3.27Å; Q150-T154 PolarHBondContact O-N 3.42Å; Q150-T154 PolarHBondContact O-OG1 2.97Å; E151-T154 WeakPolarHBondContact CA-OG1 3.41Å; E151-T154 PolarHBondContact O-N 3.35Å; E151-T154 PolarHBondContact O-OG1 3.04Å; T154-G156 PolarHBondContact O-N 2.71Å
155N71.7Confident63Low95 Ų95122.8 Ų122.851%0.50866%0.662SS.*THydrogen-bonded Turntrans-77.93.3-179.4-82.2-53000114.5E151 F152 Y157E151-N155 VanDerWaalsContact CG-ND2 3.33Å; E151-N155 WeakPolarHBondContact CG-ND2 3.4Å; E151-N155 PolarHBondContact O-N 3.08Å; E151-N155 PolarHBondContact O-ND2 3.1Å; F152-N155 PolarHBondContact O-N 3.41Å; N155-Y157 WeakPolarHBondContact O-CD2 3.38Å; N155-Y157 WeakPolarHBondContact O-CE2 3.36Å; N155-Y157 PolarHBondContact O-N 3.23Å
156G59.8Low61.5Low59 Ų59121.5 Ų121.561%0.60867%0.668SS**THydrogen-bonded Turntrans77.112.4158.900000117.5T154T154-G156 PolarHBondContact O-N 2.71Å
157Y56.3Low60.2Low200 Ų200126.9 Ų126.978%0.78468%0.684SS**  trans-98.39.6179.5-67.9-75.6000114.8N155 S159N155-Y157 WeakPolarHBondContact O-CD2 3.38Å; N155-Y157 WeakPolarHBondContact O-CE2 3.36Å; N155-Y157 PolarHBondContact O-N 3.23Å; Y157-S159 PolarHBondContact O-N 2.98Å
158A63.7Low58.3Low71 Ų71124.9 Ų124.959%0.58769%0.69SS**  trans-76117.416900000109.5
159S54.4Low56.4Low109 Ų109126.4 Ų126.476%0.76271%0.705SS**  trans-138.4116173.2-69.50000109.6Y157 D161Y157-S159 PolarHBondContact O-N 2.98Å; S159-D161 PolarHBondContact O-N 2.88Å
160D51.5Low54.6Low155 Ų155125.3 Ų125.383%0.82971%0.714SS**  trans-88.585.7-179.7-23.9-73.1000109.1L162D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 2.9Å
161D48.8Very low53Low147 Ų147125.4 Ų125.479%0.78673%0.725SS**  trans-76.883.6176.7-154.9-48000110.8S159S159-D161 PolarHBondContact O-N 2.88Å
162L53.1Low51.3Low174 Ų174125.4 Ų125.491%0.91174%0.736SS**  trans-118.346.7172.4-148.777.8000110.7D160D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 2.9Å
163G39.4Very low49.9Very low63 Ų63127.5 Ų127.565%0.64975%0.748SS**  trans-143.346.8-168.200000115.5M165G163-M165 PolarHBondContact O-N 3.37Å
164R42.1Very low47.9Very low215 Ų215130.9 Ų130.981%0.81176%0.762SS**  trans-63.9134179.5-160.9-167.7169.4-163.1-3.2111.9
165M41.1Very low46.1Very low148 Ų148134.3 Ų134.373%0.72977%0.771SS**  trans87105163.5-43.3-173.3-144.200118.7G163G163-M165 PolarHBondContact O-N 3.37Å
166S35.2Very low44.7Very low123 Ų123138 Ų13886%0.8679%0.787SS**  -155.9142.1115.4-152.50000111.4
167Y41.3Very low43.8Very low240 Ų240140.7 Ų140.794%0.94179%0.794SS**  trans-84.3137.7176.9-87.9-103.8000110.4
168G33.8Very low43Very low69 Ų69137.3 Ų137.371%0.71180%0.796SS**  trans170.692169.300000117.4
169S37Very low41.5Very low124 Ų124142.9 Ų142.987%0.86781%0.81SS**  trans56.3130.1138.2-53.60000123
170A39.7Very low40.5Very low94 Ų94146.2 Ų146.278%0.77781%0.814SS**  trans78.4135.6156.600000119.3
171P44.3Very low39.7Very low123 Ų123147.3 Ų147.380%0.79981%0.814SS**PPolyproline II helixtrans-90.4135.6174.534.8-31.8000112.3
172P41.8Very low39Very low120 Ų120148.6 Ų148.678%0.77982%0.815SS**PPolyproline II helixtrans-84.4135.116932-31000111.9
173Q43.6Very low38Very low188 Ų188148.4 Ų148.488%0.87981%0.809SS**PPolyproline II helixtrans-74.6138.5165.1-69.6-92.1-66.800110
174V33.4Very low37.7Very low133 Ų133154.5 Ų154.581%0.80682%0.821SS**  trans-139.4115.8162.3-174.40000111.7
175Q36.8Very low37.3Very low171 Ų171152.6 Ų152.680%0.79982%0.821SS**  trans-5.8133.3157.9-114.868.8-2.600119.9
176M40.8Very low36.9Very low172 Ų172154.7 Ų154.785%0.84783%0.829SS**PPolyproline II helixtrans-97.5153.7150.9-64.7-148.8-52.600111
177P42.6Very low36.6Very low116 Ų116152.6 Ų152.675%0.75383%0.827SS**PPolyproline II helixtrans-72.9158.1176.430.2-35.2000113
178P39.6Very low36.5Very low129 Ų129149.8 Ų149.884%0.83883%0.827SS**PPolyproline II helixtrans-79.9138.7-167.731.1-35.6000114.1
179Q31.7Very low36.4Very low188 Ų188154.9 Ų154.988%0.87983%0.832SS**PPolyproline II helixtrans-87.3132.1162.7-69.4-154.4-41.100110.8Q181Q179-Q181 PolarHBondContact O-N 2.99Å
180Q33.7Very low36.3Very low179 Ų179156.3 Ų156.384%0.83683%0.829SS**  trans-78112.5168.2-76.1-174.4-1900110.4
181Q33.1Very low36.4Very low177 Ų177157.6 Ų157.683%0.82783%0.83SS**  trans-70.8124.8167.5-67.8176-39.200109.8Q179Q179-Q181 PolarHBondContact O-N 2.99Å
182H34.8Very low35.8Very low174 Ų174159.6 Ų159.681%0.80683%0.833SS**  trans-99.7110.9157.7-86.581.6000108.8
183Q33.5Very low35.1Very low170 Ų170157.4 Ų157.479%0.79483%0.832SS**  trans-88.3116.3-174.9-167.4167.36800109.3
184Q32.3Very low34.5Very low191 Ų191160.5 Ų160.589%0.89384%0.836SS**  trans-88.4113.4176.8-171.3176.591.600109
185Q33.6Very low34.4Very low176 Ų176161.4 Ų161.482%0.82284%0.836SS**  trans-121.8137.3174.7-165.7165.974.200110.1
186Q33.3Very low35.2Very low191 Ų191159 Ų15989%0.89384%0.835SS**  trans-84142-172.3-61.2172.3-1.700111.1
187G27.9Very low34.7Very low80 Ų80154.9 Ų154.983%0.82583%0.829SS**  trans-157.7123.1173.400000111.4
188L39.3Very low34.1Very low180 Ų180157.9 Ų157.994%0.94283%0.833SS**  trans-83.6127.1179.9-77.9154.4000111.5
189H31.3Very low33.9Very low176 Ų176159.6 Ų159.682%0.81583%0.834SS**  trans-162.9150.1137.948.2-147000113.7
190L35.8Very low33.9Very low154 Ų154159.1 Ų159.181%0.80683%0.832SS**  trans-95.1152.4157.5-107.470.1000107.9
191P40.4Very low33.8Very low121 Ų121156 Ų15679%0.78683%0.825SS**  -147.817498.636.8-19.3000116.3
192L31.8Very low33.8Very low165 Ų165155.3 Ų155.386%0.86483%0.827SS**  trans-62.3137.5178.5-87.452.1000114.8
193G27.7Very low33.7Very low74 Ų74150.9 Ų150.976%0.76383%0.828SS**  104.5147.7112.900000121.1
194R31.3Very low33.6Very low254 Ų254146.2 Ų146.296%0.95883%0.825SS**  trans95.7120.5154.7-140.2170.5-167.61682.1118.6
195N30.2Very low34.1Very low152 Ų152145.3 Ų145.381%0.81383%0.827SS**  trans-77.6-171.9170.6-61.1-44.2000111.6
196P54.5Low34.6Very low120 Ų120144.7 Ų144.778%0.77983%0.828SS**  -128.7170.7-7139.2-24.6000111.5
197A30.1Very low35.3Very low86 Ų86143.8 Ų143.871%0.71183%0.826SS**  trans174.3165.7146.100000114.2
198Q31.3Very low36.4Very low179 Ų179145.7 Ų145.784%0.83682%0.824SS**  trans82105.5161.4-56.3-57.5-7500118.5
199L34.6Very low37.1Very low165 Ų165143.2 Ų143.286%0.86481%0.81SS**  trans-78.9139.7153.8-73.772.4000109.1
200Q32.5Very low38.5Very low178 Ų178138.8 Ų138.883%0.83280%0.797SS**  -170120120-110.1174.9-10.100113.7
201T31.4Very low39.5Very low112 Ų112139.1 Ų139.169%0.68780%0.799SS**  trans32.3123.6138.158.90000119
202N33Very low40.1Very low164 Ų164136.2 Ų136.288%0.87779%0.785SS**  -168.2149.872.9-122.2-26.8000115.3
203G31.2Very low41.3Very low80 Ų80130.7 Ų130.783%0.82576%0.759SS**  trans76.874.9139.400000121
204G31.6Very low42.7Very low72 Ų72133.4 Ų133.474%0.74275%0.751SS**  trans-176.3108.516300000113.4L206G204-L206 PolarHBondContact O-N 3.11Å
205N44.1Very low44.1Very low172 Ų172128.5 Ų128.592%0.9273%0.733SS**  trans-69.4101-176.6-84.3-43.8000112.4
206L43.8Very low45.6Very low164 Ų164125.4 Ų125.486%0.85972%0.716SS**  trans-131.1114.4160.4-73.1171.7000108.4G204G204-L206 PolarHBondContact O-N 3.11Å
207M48.3Very low45.9Very low172 Ų172123 Ų12385%0.84770%0.696SS**  trans-65.9130.6177.7-62.4-71.7-96.300109.2I209M207-I209 PolarHBondContact O-N 2.76Å; M207-I209 VanDerWaalsContact O-N 3.15Å
208P50Low47.9Very low119 Ų119122.8 Ų122.877%0.77368%0.683SS**  trans-68116174.627.4-32.3000109.2
209I54.7Low49.9Very low128 Ų128120.6 Ų120.666%0.65667%0.668SS**  trans-58.7124.4171.4-62.7175.1000107.5M207 T213M207-I209 PolarHBondContact O-N 2.76Å; M207-I209 VanDerWaalsContact O-N 3.15Å; I209-T213 VanDerWaalsContact CG2-CB 3.46Å; I209-T213 HydrophobicContact CG2-CG2 4.15Å; I209-T213 WeakPolarHBondContact CG2-OG1 3.19Å
210P60.3Low51.7Low83 Ų83121.3 Ų121.354%0.53966%0.659SS.*  trans-63.4146.6-177.324.9-32.3000110.5A212 T213P210-A212 PolarHBondContact O-N 3.41Å; P210-T213 PolarHBondContact O-N 3.33Å; P210-T213 PolarHBondContact O-OG1 3.44Å
211L56.6Low53.5Low161 Ų161118.2 Ų118.284%0.84365%0.645SS**Hα-helixtrans-54.4-25-179.4-76.2108.3000113.3T213 H214L211-T213 PolarHBondContact O-N 3.23Å; L211-H214 PolarHBondContact O-N 3.48Å; L211-H214 VanDerWaalsContact O-N 3.14Å
212A54.3Low55.5Low61 Ų61118.9 Ų118.950%0.50464%0.64SS.*Hα-helixtrans-60-17171.900000114.9P210 W215P210-A212 PolarHBondContact O-N 3.41Å; A212-W215 PolarHBondContact O-NE1 2.96Å
213T54.9Low57.1Low49 Ų49115.3 Ų115.330%0.30162%0.62SS.*Hα-helixtrans-95.4-22.8175-27.50000112.3I209 P210 L211 L216 N217I209-T213 VanDerWaalsContact CG2-CB 3.46Å; I209-T213 HydrophobicContact CG2-CG2 4.15Å; I209-T213 WeakPolarHBondContact CG2-OG1 3.19Å; P210-T213 PolarHBondContact O-N 3.33Å; P210-T213 PolarHBondContact O-OG1 3.44Å; L211-T213 PolarHBondContact O-N 3.23Å; T213-L216 PolarHBondContact O-N 2.88Å; T213-N217 PolarHBondContact O-N 3.14Å; T213-N217 VanDerWaalsContact O-N 3.13Å; T213-N217 PolarHBondContact O-ND2 2.9Å
214H58.2Low59Low130 Ų130116 Ų11660%0.60261%0.605SS**Hα-helixtrans-70.3-36.9-179.1-167.681.7000112.2L211 N218L211-H214 PolarHBondContact O-N 3.48Å; L211-H214 VanDerWaalsContact O-N 3.14Å; H214-N218 PolarHBondContact CD2-ND2 3.4Å; H214-N218 VanDerWaalsContact CD2-ND2 3.28Å; H214-N218 PolarHBondContact NE2-ND2 3.2Å; H214-N218 VanDerWaalsContact NE2-ND2 3.12Å; H214-N218 WeakPolarHBondContact O-CB 3.39Å; H214-N218 PolarHBondContact O-N 2.98Å; H214-N218 PolarHBondContact O-ND2 3.38Å
215W60.1Low60.9Low152 Ų152116.8 Ų116.858%0.57659%0.592SS**Hα-helixtrans-69.2-38.1174.684.6-87.6000112.1A212 N218 Y219A212-W215 PolarHBondContact O-NE1 2.96Å; W215-N218 PolarHBondContact O-N 2.95Å; W215-Y219 VanDerWaalsContact O-CB 3.28Å; W215-Y219 WeakPolarHBondContact O-CB 3.44Å; W215-Y219 PolarHBondContact O-N 3.39Å
216L61.5Low62.3Low87 Ų87111.9 Ų111.946%0.45557%0.569SS.*Hα-helixtrans-63.5-41.3176.8-81.5169.7000111.9T213 Y219 R220T213-L216 PolarHBondContact O-N 2.88Å; L216-Y219 PolarHBondContact O-N 2.87Å; L216-R220 WeakPolarHBondContact O-CB 3.4Å; L216-R220 PolarHBondContact O-N 3.46Å
217N61.8Low63.3Low70 Ų70112.9 Ų112.937%0.37456%0.561SS.*Hα-helixtrans-66.8-48.6175.5-71.4-24000111.5T213 Y219 R220 E221T213-N217 PolarHBondContact O-N 3.14Å; T213-N217 VanDerWaalsContact O-N 3.13Å; T213-N217 PolarHBondContact O-ND2 2.9Å; N217-Y219 VanDerWaalsContact C-N 3.27Å; N217-Y219 PolarHBondContact O-N 3.35Å; N217-R220 WeakPolarHBondContact O-CB 3.38Å; N217-R220 PolarHBondContact O-N 3.46Å; N217-R220 VanDerWaalsContact O-N 3.11Å; N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 2.89Å
218N70.8Confident64.2Low81 Ų81112.7 Ų112.743%0.43355%0.551SS.*Hα-helixtrans-53.7-43.8173.7-91.4-97.3000112H214 W215 E221 H222H214-N218 PolarHBondContact CD2-ND2 3.4Å; H214-N218 VanDerWaalsContact CD2-ND2 3.28Å; H214-N218 PolarHBondContact NE2-ND2 3.2Å; H214-N218 VanDerWaalsContact NE2-ND2 3.12Å; H214-N218 WeakPolarHBondContact O-CB 3.39Å; H214-N218 PolarHBondContact O-N 2.98Å; H214-N218 PolarHBondContact O-ND2 3.38Å; W215-N218 PolarHBondContact O-N 2.95Å; N218-E221 PolarHBondContact O-N 2.86Å; N218-H222 VanDerWaalsContact O-CB 3.31Å; N218-H222 WeakPolarHBondContact O-CB 3.43Å; N218-H222 PolarHBondContact O-N 3.46Å
219Y73.8Confident64.7Low133 Ų133112.9 Ų112.952%0.52255%0.545SS..Hα-helixtrans-66.3-41.7179.3-171-104.4000112.1W215 L216 N217 E221 H222 L223W215-Y219 VanDerWaalsContact O-CB 3.28Å; W215-Y219 WeakPolarHBondContact O-CB 3.44Å; W215-Y219 PolarHBondContact O-N 3.39Å; L216-Y219 PolarHBondContact O-N 2.87Å; N217-Y219 VanDerWaalsContact C-N 3.27Å; N217-Y219 PolarHBondContact O-N 3.35Å; Y219-E221 VanDerWaalsContact C-N 3.35Å; Y219-E221 PolarHBondContact O-N 3.25Å; Y219-H222 PolarHBondContact O-N 3.11Å; Y219-L223 HydrophobicContact CD1-CD1 4.01Å; Y219-L223 HydrophobicContact CD1-CG 4.48Å; Y219-L223 HydrophobicContact CE1-CD1 3.54Å; Y219-L223 HydrophobicContact CE1-CG 4.18Å; Y219-L223 WeakPolarHBondContact O-CG 3.28Å; Y219-L223 PolarHBondContact O-N 3.46Å
220R72.1Confident64.7Low180 Ų180113.5 Ų113.568%0.67955%0.547SS*.Hα-helixtrans-62.8-40.6175.6-126.8174.5-178151.40.2112.3L216 N217 N224L216-R220 WeakPolarHBondContact O-CB 3.4Å; L216-R220 PolarHBondContact O-N 3.46Å; N217-R220 WeakPolarHBondContact O-CB 3.38Å; N217-R220 PolarHBondContact O-N 3.46Å; N217-R220 VanDerWaalsContact O-N 3.11Å; R220-N224 PolarHBondContact O-N 2.95Å; R220-N224 VanDerWaalsContact O-N 3.16Å; R220-N224 PolarHBondContact O-ND2 3.04Å
221E71.5Confident64.4Low113 Ų113112.7 Ų112.753%0.52854%0.544SS..Hα-helixtrans-68.8-41.9176.4-70.8163.1-15000111N217 N218 Y219 L223 N224 N225N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 2.89Å; N218-E221 PolarHBondContact O-N 2.86Å; Y219-E221 VanDerWaalsContact C-N 3.35Å; Y219-E221 PolarHBondContact O-N 3.25Å; E221-L223 PolarHBondContact O-N 2.99Å; E221-N224 PolarHBondContact O-N 3.28Å; E221-N225 PolarHBondContact O-N 2.94Å; E221-N225 PolarHBondContact O-ND2 2.9Å; E221-N225 VanDerWaalsContact O-ND2 3.14Å
222H72.8Confident64.2Low125 Ų125114.7 Ų114.758%0.57954%0.541SS*.Hα-helixtrans-61.1-45.2176.7-158.585.4000112N218 Y219 N224 N225 V226N218-H222 VanDerWaalsContact O-CB 3.31Å; N218-H222 WeakPolarHBondContact O-CB 3.43Å; N218-H222 PolarHBondContact O-N 3.46Å; Y219-H222 PolarHBondContact O-N 3.11Å; H222-N224 PolarHBondContact O-N 3.33Å; H222-N225 PolarHBondContact O-N 3.46Å; H222-V226 WeakPolarHBondContact O-CG2 3.46Å; H222-V226 PolarHBondContact O-N 3.25Å
223L66.9Low63.8Low90 Ų90118.4 Ų118.447%0.47155%0.551SS.*Hα-helixtrans-63.3-39175.2-69.8-179.1000112.7Y219 E221 V226 W227Y219-L223 HydrophobicContact CD1-CD1 4.01Å; Y219-L223 HydrophobicContact CD1-CG 4.48Å; Y219-L223 HydrophobicContact CE1-CD1 3.54Å; Y219-L223 HydrophobicContact CE1-CG 4.18Å; Y219-L223 WeakPolarHBondContact O-CG 3.28Å; Y219-L223 PolarHBondContact O-N 3.46Å; E221-L223 PolarHBondContact O-N 2.99Å; L223-V226 PolarHBondContact O-N 3.16Å; L223-W227 WeakPolarHBondContact O-CB 3.3Å; L223-W227 PolarHBondContact O-N 3.47Å
224N70.8Confident63.1Low93 Ų93121 Ų12150%0.49757%0.569SS.*Hα-helixtrans-64.7-39.8174.2-87.3-81.8000112.1R220 E221 H222 W227 R228R220-N224 PolarHBondContact O-N 2.95Å; R220-N224 VanDerWaalsContact O-N 3.16Å; R220-N224 PolarHBondContact O-ND2 3.04Å; E221-N224 PolarHBondContact O-N 3.28Å; H222-N224 PolarHBondContact O-N 3.33Å; N224-W227 PolarHBondContact O-N 3.49Å; N224-R228 WeakPolarHBondContact O-CB 3.45Å; N224-R228 VanDerWaalsContact O-CG 3.26Å; N224-R228 WeakPolarHBondContact O-CG 3.45Å; N224-R228 PolarHBondContact O-N 2.99Å
225N71.7Confident62.6Low89 Ų89119.9 Ų119.948%0.47658%0.582SS.*Hα-helixtrans-66.5-41.6176.6-73.4-38.2000112E221 H222 R228 N229E221-N225 PolarHBondContact O-N 2.94Å; E221-N225 PolarHBondContact O-ND2 2.9Å; E221-N225 VanDerWaalsContact O-ND2 3.14Å; H222-N225 PolarHBondContact O-N 3.46Å; N225-R228 PolarHBondContact O-N 2.88Å; N225-N229 WeakPolarHBondContact O-CB 3.26Å; N225-N229 VanDerWaalsContact O-CG 3.27Å; N225-N229 PolarHBondContact O-N 3.37Å
226V73.6Confident61.8Low70 Ų70116.5 Ų116.542%0.42459%0.586SS.*Hα-helixtrans-61.5-44.5173172.50000110.9H222 L223 N229 M230H222-V226 WeakPolarHBondContact O-CG2 3.46Å; H222-V226 PolarHBondContact O-N 3.25Å; L223-V226 PolarHBondContact O-N 3.16Å; V226-N229 PolarHBondContact O-N 3.48Å; V226-M230 WeakPolarHBondContact O-CB 3.4Å; V226-M230 PolarHBondContact O-N 3.39Å
227W64.5Low61.1Low184 Ų184118 Ų11870%0.69760%0.602SS**Hα-helixtrans-65.7-39.1179.1-171.783.9000113.1L223 N224 M230 S231L223-W227 WeakPolarHBondContact O-CB 3.3Å; L223-W227 PolarHBondContact O-N 3.47Å; N224-W227 PolarHBondContact O-N 3.49Å; W227-M230 PolarHBondContact O-N 3.34Å; W227-S231 PolarHBondContact O-N 2.91Å; W227-S231 PolarHBondContact O-OG 2.99Å
228R66.8Low60.4Low168 Ų168122.6 Ų122.663%0.63463%0.626SS**Hα-helixtrans-68.3-34.2174.5-72175.9112.7-113.8-0.3112.9N224 N225 S231N224-R228 WeakPolarHBondContact O-CB 3.45Å; N224-R228 VanDerWaalsContact O-CG 3.26Å; N224-R228 WeakPolarHBondContact O-CG 3.45Å; N224-R228 PolarHBondContact O-N 2.99Å; N225-R228 PolarHBondContact O-N 2.88Å; R228-S231 WeakPolarHBondContact CA-OG 3.43Å; R228-S231 PolarHBondContact O-OG 2.82Å; R228-S231 VanDerWaalsContact O-OG 3.11Å
229N60.8Low58.9Low124 Ų124125.1 Ų125.166%0.66365%0.645SS**Hα-helixtrans-77.1-32.8175.5-70.6-10.7000112.4N225 V226 S231N225-N229 WeakPolarHBondContact O-CB 3.26Å; N225-N229 VanDerWaalsContact O-CG 3.27Å; N225-N229 PolarHBondContact O-N 3.37Å; V226-N229 PolarHBondContact O-N 3.48Å; N229-S231 VanDerWaalsContact C-N 3.26Å; N229-S231 PolarHBondContact O-N 2.96Å
230M56.1Low57.3Low140 Ų140128.6 Ų128.669%0.6967%0.668SS**Hα-helixtrans-71.7-19.9176.3-160.172.780.800113V226 W227V226-M230 WeakPolarHBondContact O-CB 3.4Å; V226-M230 PolarHBondContact O-N 3.39Å; W227-M230 PolarHBondContact O-N 3.34Å
231S52.6Low55.6Low67 Ų67123.6 Ų123.647%0.46967%0.673SS.*THydrogen-bonded Turntrans-90.70-179.440.80000114.7W227 R228 N229W227-S231 PolarHBondContact O-N 2.91Å; W227-S231 PolarHBondContact O-OG 2.99Å; R228-S231 WeakPolarHBondContact CA-OG 3.43Å; R228-S231 PolarHBondContact O-OG 2.82Å; R228-S231 VanDerWaalsContact O-OG 3.11Å; N229-S231 VanDerWaalsContact C-N 3.26Å; N229-S231 PolarHBondContact O-N 2.96Å
232Y52.4Low54Low203 Ų203126.4 Ų126.480%0.79669%0.69SS**  trans-131.970.9175-96.7-90000112.2P234Y232-P234 WeakPolarHBondContact O-CD 3.31Å
233I46.2Very low52.2Low138 Ų138129.1 Ų129.171%0.70870%0.704SS**  trans-10698.4157-58.2177.1000107.7A235I233-A235 PolarHBondContact O-N 2.91Å
234P41.2Very low50.6Low104 Ų104129.5 Ų129.568%0.67572%0.72SS**  trans-71.5122.6165.329-29.4000108.4Y232 A236Y232-P234 WeakPolarHBondContact O-CD 3.31Å; P234-A236 PolarHBondContact O-N 3.43Å
235A46.3Very low49Very low106 Ų106133.5 Ų133.588%0.87674%0.735SS**  trans-6999.6173.700000109.8I233I233-A235 PolarHBondContact O-N 2.91Å
236A43.4Very low47.1Very low81 Ų81135.7 Ų135.767%0.66975%0.752SS**PPolyproline II helixtrans-100.6141.4171.800000110.4P234P234-A236 PolarHBondContact O-N 3.43Å
237P48.1Very low45.1Very low120 Ų120137.2 Ų137.278%0.77977%0.772SS**PPolyproline II helixtrans-75.5149.8-179.131.6-35.1000112.2T239P237-T239 PolarHBondContact O-N 3.46Å
238N46.5Very low43.8Very low165 Ų165132.8 Ų132.888%0.88278%0.775SS**PPolyproline II helixtrans-75.6116.6179.3-65.3-59.6000112.1
239T39.5Very low42.1Very low135 Ų135132 Ų13283%0.82879%0.788SS**  trans-141.3118.415747.10000109.9P237P237-T239 PolarHBondContact O-N 3.46Å
240M40.7Very low40.7Very low205 Ų205132.3 Ų132.3100%1.0180%0.795SS**  trans-79.6141.3172.1-66.6-174.5174.200110.7
241G35.8Very low39.5Very low75 Ų75130.2 Ų130.277%0.77379%0.794SS**  trans-169.9137175.500000112
242L36.6Very low38.7Very low172 Ų172133.3 Ų133.390%0.90181%0.81SS**  trans-75.3140-169.5-80.680.9000114.5
243Q35.9Very low37.8Very low183 Ų183130.8 Ų130.886%0.85581%0.81SS**  trans23.5118.5130.2-172.4146.4-12.300120.6
244A33.8Very low37.2Very low98 Ų98132 Ų13281%0.8182%0.818SS**  -170.7154.2124.200000112.4
245Q37.2Very low36.7Very low176 Ų176130.3 Ų130.382%0.82282%0.819SS**  trans-90.2152.1174.4-61160.4-12.500110.6
246T31Very low36.1Very low135 Ų135132.8 Ų132.883%0.82882%0.823SS**  169146.5114.135.20000114.5
247A32.6Very low35.4Very low102 Ų102131.9 Ų131.984%0.84382%0.821SS**  trans46.7138.1144.400000122.6
248A35.5Very low34.9Very low92 Ų92135.4 Ų135.476%0.7683%0.83SS**  trans-89.1162.7172.400000113.2
249T31.2Very low34.3Very low150 Ų150131 Ų13192%0.9282%0.823SS**  trans-159.1170.7146.5180000111
250V31.2Very low34.1Very low131 Ų131133.5 Ų133.579%0.79483%0.83SS**  trans-120.6154.3-160.3-151.90000111.9
251S32.1Very low33.7Very low96 Ų96127.1 Ų127.167%0.67182%0.817SS**  trans84.8127.5147.7-75.10000123
252T34.8Very low33.8Very low133 Ų133131.2 Ų131.282%0.81682%0.82SS**  trans75.3121.1132.756.90000123.6
253N35.1Very low34.3Very low149 Ų149129 Ų12980%0.79782%0.817SS**  123.1152123.1-144.64.9000118
254L32.4Very low34.3Very low165 Ų165126.1 Ų126.186%0.86481%0.811SS**  trans-59.2151.3-171.1-83.647.3000116.4
255G30.8Very low34.2Very low68 Ų68130.7 Ų130.770%0.70182%0.816SS**  138.9122.4125.300000119.4
256V34.5Very low34Very low157 Ų157125.4 Ų125.495%0.95281%0.808SS**  trans78112.1149-167.60000120.2
257G29.1Very low34Very low62 Ų62127.9 Ų127.964%0.63981%0.81SS**  119.9121.1119.600000120.4
258M37Very low34Very low195 Ų195131.6 Ų131.696%0.96181%0.811SS**  trans67127.7166.7-48.8-59.6179.700115.5
259G34.4Very low33.9Very low71 Ų71134.9 Ų134.973%0.73281%0.814SS**  cis103.9126.637.700000107.3
260L35.3Very low34.1Very low188 Ų188139.2 Ų139.298%0.98481%0.814SS**  cis-153168.129.9-59.3158.6000107.6
261G31Very low34.1Very low72 Ų72136.3 Ų136.374%0.74281%0.81SS**  cis172.7146.1-3.600000110.3
262L39.1Very low34.1Very low160 Ų160136.5 Ų136.584%0.83882%0.817SS**  trans-148.5144.5170.2-97.5172.1000107.9
263P46.7Very low34.5Very low127 Ų127135.3 Ų135.383%0.82582%0.815SS**  trans-132.6164.8143.625.7-7.3000113.3
264V36.3Very low34.7Very low122 Ų122135.4 Ų135.474%0.73982%0.815SS**  trans-124.8165.5-170.2-174.50000109.3
265Q30.4Very low34.9Very low194 Ų194132.5 Ų132.591%0.90781%0.808SS**  trans87.2141.2169.7-48.8173.13.100115.3
266G32.9Very low35.2Very low64 Ų64134.8 Ų134.866%0.6681%0.814SS**  cis-175.3165.3-4.300000114.2
267E32.2Very low35.5Very low187 Ų187134.9 Ų134.987%0.87481%0.809SS**  trans51.3124.9156-66.716694.500123.4
268Q32.8Very low36.1Very low181 Ų181139.1 Ų139.185%0.84682%0.817SS**  176.6114.5111.8-93.9168.9-3.300116.1
269L33.8Very low36.5Very low160 Ų160135.9 Ų135.984%0.83880%0.804SS**  trans34124.8139.6-60.1166000123.4
270R34.5Very low37Very low242 Ų242138.9 Ų138.991%0.91380%0.803SS**  148.7132.2103.1-175.1176.2-77.6-117.62.5116.2
271G31.5Very low37.7Very low69 Ų69137.2 Ų137.271%0.71180%0.795SS**  trans9893.9152.900000117.4
272A32.5Very low38.6Very low100 Ų100140.7 Ų140.783%0.82680%0.796SS**  77.596.480.700000113.9
273S41.7Very low39Very low109 Ų109142.3 Ų142.376%0.76280%0.797SS**  167171.294.450.10000107.7
274N40.2Very low39.2Very low151 Ų151142 Ų14281%0.80779%0.792SS**  cis-159.6159.8-3.9-118-10000106.1
275S35.7Very low40Very low103 Ų103145.3 Ų145.372%0.7279%0.793SS**  cis-160.6153.8-11.3-176.90000108.2
276S38.9Very low40.8Very low117 Ų117145.5 Ų145.582%0.81879%0.791SS**  trans-127.2112.1178.3-79.90000111.2
277N39.3Very low41.4Very low159 Ų159152.6 Ų152.685%0.8580%0.798SS**  trans-97.8104177.6-156.83.2000109.4
278N41.4Very low42.4Very low150 Ų150155 Ų15580%0.80280%0.8SS**  trans-129.3115.1-176.8-163.3-1.6000109
279N46.7Very low43.3Very low128 Ų128152.9 Ų152.968%0.68480%0.795SS**  trans-137.7104.9-178.7-112.2-32.5000111.8
280N45Very low44.1Very low134 Ų134150.9 Ų150.972%0.71780%0.795SS**  trans67.597.4146.1-57.6-28.9000120.4N282N280-N282 PolarHBondContact O-N 2.93Å
281N49.4Very low44.8Very low153 Ų153148.1 Ų148.182%0.81879%0.789SS**  -12.5111.2125.9-68-37.1000115.3
282N50.5Low45.9Very low144 Ų144149.4 Ų149.477%0.7779%0.793SS**  179.6113.7118.9-103.8-30.4000113.1N280N280-N282 PolarHBondContact O-N 2.93Å
283K46.3Very low46.6Very low194 Ų194153.4 Ų153.484%0.84379%0.792SS**  trans176.293.7135.4-96.2152.7-171.3172.10111Y285K283-Y285 PolarHBondContact O-N 2.83Å; K283-Y285 VanDerWaalsContact O-N 3.08Å
284V50.9Low47.3Very low121 Ų121156.2 Ų156.273%0.73379%0.793SS**  trans-77.216.7-173.7170.60000113.6
285Y52.5Low48.1Very low191 Ų191155.5 Ų155.575%0.74979%0.788SS**  trans-133.248.2-164.6-34.6-69000115.8K283K283-Y285 PolarHBondContact O-N 2.83Å; K283-Y285 VanDerWaalsContact O-N 3.08Å
286K47.8Very low49.5Very low198 Ų198155.3 Ų155.386%0.86179%0.786SS**  trans-146.375.9161.5-134.3167.6-175.4175.70110.8
287R45.5Very low51.4Low214 Ų214157.4 Ų157.481%0.80878%0.776SS**  60.789.7100.4-65.8-170.2-168.2-158.74.1113.5N289R287-N289 PolarHBondContact O-N 3.29Å; R287-N289 VanDerWaalsContact O-N 3.1Å
288Y52.6Low53.9Low236 Ų236152.6 Ų152.693%0.92575%0.748SS**SBendtrans2371.7143.6-47.5-84.1000117.8
289N52.3Low56.4Low137 Ų137145.4 Ų145.473%0.73371%0.71SS**  trans-152.753153.9-163.60.2000111.4R287 K291R287-N289 PolarHBondContact O-N 3.29Å; R287-N289 VanDerWaalsContact O-N 3.1Å; N289-K291 PolarHBondContact O-N 3.48Å
290S50.2Low58.7Low119 Ų119143.4 Ų143.483%0.83270%0.702SS**  trans-87.692.2164.4-59.30000107.5A292S290-A292 PolarHBondContact O-N 2.75Å
291K50.8Low61Low184 Ų184139.2 Ų139.280%0.868%0.678SS**  trans-46.3131.6157.2-69.7-173177.9-1780106.8N289 K293N289-K291 PolarHBondContact O-N 3.48Å; K291-K293 PolarHBondContact O-N 2.92Å
292A53.1Low63.2Low96 Ų96132 Ų13279%0.79364%0.639SS**  trans-43.3120.2-172.400000109.1S290 E294S290-A292 PolarHBondContact O-N 2.75Å; A292-E294 VanDerWaalsContact C-N 3.28Å; A292-E294 PolarHBondContact O-N 3.12Å
293K48.3Very low65.2Low183 Ų183129.7 Ų129.780%0.79662%0.623SS**  trans-5899.1-176.4177.9174.8-177.4-74.30106.6K291 I295K291-K293 PolarHBondContact O-N 2.92Å; K293-I295 PolarHBondContact O-N 2.85Å
294E54.9Low67.5Low169 Ų169126.4 Ų126.479%0.7962%0.615SS**  trans-57.5104.8-179-173.6166.3-152.200105.6A292 S296A292-E294 VanDerWaalsContact C-N 3.28Å; A292-E294 PolarHBondContact O-N 3.12Å; E294-S296 PolarHBondContact O-N 3.14Å
295I58.6Low69.5Low136 Ų136124.2 Ų124.270%0.69760%0.6SS**  trans-64.7101172-64.9101.2000102.8K293 R297K293-I295 PolarHBondContact O-N 2.85Å; I295-R297 WeakPolarHBondContact O-CG 3.34Å; I295-R297 PolarHBondContact O-N 3.24Å
296S64.1Low71.5Confident98 Ų98122.3 Ų122.369%0.68560%0.602SS**  trans-52.597.7-171.549.60000109.1E294 H298E294-S296 PolarHBondContact O-N 3.14Å; S296-H298 PolarHBondContact O-N 3.48Å
297R79.4Confident73.6Confident161 Ų161114.9 Ų114.961%0.60857%0.571SS**  trans-81.159.5-176.2-62.8-164.8178.9-175.7-0.4108.8I295 I312 N313 S314 H315I295-R297 WeakPolarHBondContact O-CG 3.34Å; I295-R297 PolarHBondContact O-N 3.24Å; R297-I312 VanDerWaalsContact O-O 3.05Å; R297-N313 CarbonylContact O-C 3.32Å; R297-N313 WeakPolarHBondContact O-CA 3.34Å; R297-S314 WeakPolarHBondContact CD-O 3.37Å; R297-S314 PolarHBondContact O-N 3.43Å; R297-H315 CarbonylContact C-O 3.18Å; R297-H315 CarbonylContact O-C 3.54Å; R297-H315 VanDerWaalsContact O-C 3.32Å; R297-H315 PolarHBondContact O-N 2.92Å
298H91.7Very high75.9Confident58 Ų58108.4 Ų108.427%0.26956%0.556SS.*  trans-96.3127.1-172.4168.284.4000110.3S296 E303 I312 H315S296-H298 PolarHBondContact O-N 3.48Å; H298-E303 VanDerWaalsContact CE1-CD 3.46Å; H298-E303 IonicContact CE1-OE1 3.51Å; H298-E303 IonicContact CE1-OE2 3.33Å; H298-E303 PolarHBondContact CE1-OE2 3.43Å; H298-E303 IonicContact NE2-OE2 3.36Å; H298-E303 PolarHBondContact NE2-OE2 3.47Å; H298-I312 CarbonylContact C-O 3.53Å; H298-I312 WeakPolarHBondContact CA-O 3.49Å; H298-I312 WeakPolarHBondContact ND1-CG2 3.41Å; H298-H315 CarbonylContact C-O 2.9Å; H298-H315 VanDerWaalsContact C-O 3.23Å
299C94.6Very high77.7Confident0 Ų0104.1 Ų104.10%054%0.544CS..  trans-107.797.9179.9-173.40000111.6F301 C302 E303 I312 H315C299-F301 PolarHBondContact O-N 3.48Å; C299-F301 VanDerWaalsContact O-N 3.13Å; C299-C302 HydrophobicContact CB-CB 3.98Å; C299-C302 PolarHBondContact O-N 3.26Å; C299-C302 PolarHBondContact SG-N 2.75Å; C299-C302 VanDerWaalsContact SG-N 3.44Å; C299-E303 PolarHBondContact O-N 3.11Å; C299-I312 PolarHBondContact N-O 2.87Å; C299-H315 WeakPolarHBondContact CB-NE2 3.16Å; C299-H315 VanDerWaalsContact CB-O 3.26Å; C299-H315 WeakPolarHBondContact CB-O 3.3Å; C299-H315 PolarHBondContact N-O 3.26Å; C299-H315 PolarHBondContact SG-NE2 3.14Å
300V93.8Very high79.5Confident85 Ų85101.6 Ų101.652%0.51554%0.543SS..Hα-helixtrans-53.5-33174.5-172.70000112.2E303 N304 V317V300-E303 PolarHBondContact O-N 2.99Å; V300-N304 WeakPolarHBondContact O-CB 3.5Å; V300-N304 PolarHBondContact O-N 3.45Å; V300-V317 HydrophobicContact CB-CG2 4.19Å
301F94.4Very high81.4Confident47 Ų4798.1 Ų98.121%0.20652%0.516CS..Hα-helixtrans-68.3-41.6177-176.5-98.7000112.5C299 N305 V317 K328 L329 T346C299-F301 PolarHBondContact O-N 3.48Å; C299-F301 VanDerWaalsContact O-N 3.13Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.45Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.39Å; F301-N305 VanDerWaalsContact O-CG 3.23Å; F301-N305 PolarHBondContact O-N 2.86Å; F301-N305 PolarHBondContact O-ND2 3.43Å; F301-V317 HydrophobicContact CB-CG1 4.43Å; F301-V317 HydrophobicContact CB-CG2 4.34Å; F301-K328 HydrophobicContact CD1-CB 4.44Å; F301-K328 HydrophobicContact CE1-CB 3.99Å; F301-L329 HydrophobicContact CD1-CB 4Å; F301-L329 HydrophobicContact CE1-CB 3.89Å; F301-L329 HydrophobicContact CE1-CD1 4.45Å; F301-L329 HydrophobicContact CE2-CD1 4.01Å; F301-L329 HydrophobicContact CG-CB 4.45Å; F301-L329 HydrophobicContact CZ-CB 4.29Å; F301-L329 HydrophobicContact CZ-CD1 3.97Å; F301-T346 HydrophobicContact CE2-CG2 3.79Å; F301-T346 HydrophobicContact CZ-CG2 4.32Å
302C94Very high83.4Confident0 Ų090.3 Ų90.30%048%0.483CS..Hα-helixtrans-72.2-33.9174.8-75.20000112C299 N305 N306 E307 V311 I312 C326C299-C302 HydrophobicContact CB-CB 3.98Å; C299-C302 PolarHBondContact O-N 3.26Å; C299-C302 PolarHBondContact SG-N 2.75Å; C299-C302 VanDerWaalsContact SG-N 3.44Å; C302-N305 CarbonylContact O-C 3.23Å; C302-N305 PolarHBondContact O-N 2.89Å; C302-N306 PolarHBondContact O-N 3.45Å; C302-E307 HydrophobicContact CB-CB 3.96Å; C302-E307 HydrophobicContact CB-CG 3.94Å; C302-E307 WeakPolarHBondContact O-CB 3.4Å; C302-E307 PolarHBondContact O-N 2.96Å; C302-V311 HydrophobicContact CB-CG1 4.46Å; C302-I312 HydrophobicContact CB-CG1 4.2Å; C302-C326 VanDerWaalsContact SG-SG 3.63Å
303E93.4Very high85.3Confident96 Ų9689.3 Ų89.345%0.44947%0.465SS..Hα-helixtrans-61.5-50173.6-178.7179.9-12800111.7H298 C299 V300 N305 N306 I312H298-E303 VanDerWaalsContact CE1-CD 3.46Å; H298-E303 IonicContact CE1-OE1 3.51Å; H298-E303 IonicContact CE1-OE2 3.33Å; H298-E303 PolarHBondContact CE1-OE2 3.43Å; H298-E303 IonicContact NE2-OE2 3.36Å; H298-E303 PolarHBondContact NE2-OE2 3.47Å; C299-E303 PolarHBondContact O-N 3.11Å; V300-E303 PolarHBondContact O-N 2.99Å; E303-N305 PolarHBondContact O-N 3.09Å; E303-N306 PolarHBondContact O-N 3.24Å; E303-I312 HydrophobicContact CB-CD1 4.08Å; E303-I312 HydrophobicContact CB-CG1 4.38Å; E303-I312 HydrophobicContact CB-CG2 4.07Å; E303-I312 HydrophobicContact CG-CD1 4.4Å
304N94.6Very high87.3Confident126 Ų12683.2 Ų83.267%0.67445%0.445SS*.Hα-helixtrans-62.5-25.5177.2-173.587.3000113.1V300 N306V300-N304 WeakPolarHBondContact O-CB 3.5Å; V300-N304 PolarHBondContact O-N 3.45Å; N304-N306 VanDerWaalsContact C-N 3.32Å
305N92.6Very high89.1Confident75 Ų7576.3 Ų76.340%0.40141%0.413SS..THydrogen-bonded Turntrans-89.57.1175.3-66.8-29.7000113.4F301 C302 E303 E307F301-N305 WeakPolarHBondContact CE1-ND2 3.45Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.39Å; F301-N305 VanDerWaalsContact O-CG 3.23Å; F301-N305 PolarHBondContact O-N 2.86Å; F301-N305 PolarHBondContact O-ND2 3.43Å; C302-N305 CarbonylContact O-C 3.23Å; C302-N305 PolarHBondContact O-N 2.89Å; E303-N305 PolarHBondContact O-N 3.09Å; N305-E307 HydrophobicContact CB-CG 4.35Å; N305-E307 PolarHBondContact O-N 2.92Å
306N94Very high90.8Very high150 Ų15071.9 Ų71.980%0.80239%0.394SS*.THydrogen-bonded Turntrans52.835-178-56.7119000114.4C302 E303 N304C302-N306 PolarHBondContact O-N 3.45Å; E303-N306 PolarHBondContact O-N 3.24Å; N304-N306 VanDerWaalsContact C-N 3.32Å
307E93.6Very high92.2Very high43 Ų4369 Ų6920%0.20137%0.372CS..  trans-63.7156.7169.6-66.4-80.7179.200110.5C302 N305 V311 I312 K328C302-E307 HydrophobicContact CB-CB 3.96Å; C302-E307 HydrophobicContact CB-CG 3.94Å; C302-E307 WeakPolarHBondContact O-CB 3.4Å; C302-E307 PolarHBondContact O-N 2.96Å; N305-E307 HydrophobicContact CB-CG 4.35Å; N305-E307 PolarHBondContact O-N 2.92Å; E307-V311 HydrophobicContact CB-CB 4.33Å; E307-V311 HydrophobicContact CB-CG1 4.17Å; E307-I312 HydrophobicContact CB-CG1 4.42Å; E307-I312 WeakPolarHBondContact O-CD1 3.46Å; E307-K328 WeakPolarHBondContact OE1-CE 3.45Å; E307-K328 IonicContact OE1-NZ 2.65Å; E307-K328 PolarHBondContact OE1-NZ 2.99Å; E307-K328 IonicContact OE2-NZ 3.58Å
308P92.6Very high92.8Very high78 Ų7867.9 Ų67.951%0.50637%0.368SS..  trans-62.3148.4179.325.2-34.4000111.8A310 V311 I312P308-A310 PolarHBondContact O-N 3.29Å; P308-A310 VanDerWaalsContact O-N 3.08Å; P308-V311 HydrophobicContact CG-CB 4.17Å; P308-V311 HydrophobicContact CG-CG2 3.79Å; P308-V311 WeakPolarHBondContact O-CA 3.5Å; P308-V311 WeakPolarHBondContact O-CB 3.36Å; P308-V311 PolarHBondContact O-N 2.94Å; P308-I312 PolarHBondContact O-N 2.88Å
309E91.7Very high92.7Very high145 Ų14566.8 Ų66.868%0.67836%0.364SS*.Hα-helixtrans-53.6-35.9-176.2-174.3178-178.600113.3V311 I312 N313E309-V311 VanDerWaalsContact C-N 3.25Å; E309-V311 PolarHBondContact O-N 3.07Å; E309-I312 PolarHBondContact O-N 3.38Å; E309-N313 VanDerWaalsContact CG-ND2 3.32Å; E309-N313 WeakPolarHBondContact CG-ND2 3.38Å; E309-N313 WeakPolarHBondContact O-CB 3.32Å; E309-N313 PolarHBondContact O-N 3.37Å; E309-N313 PolarHBondContact OE1-ND2 2.84Å
310A89.3Confident92.5Very high85 Ų8574.2 Ų74.270%0.70240%0.404SS*.Hα-helixtrans-59.9-31.9174.100000113.5P308 S314P308-A310 PolarHBondContact O-N 3.29Å; P308-A310 VanDerWaalsContact O-N 3.08Å; A310-S314 WeakPolarHBondContact O-CB 3.28Å
311V90.4Very high92.2Very high45 Ų4577.8 Ų77.827%0.27341%0.413SS..Hα-helixtrans-81.8-43.2174.3173.60000110.3C302 E307 P308 E309 N313 S314 H315C302-V311 HydrophobicContact CB-CG1 4.46Å; E307-V311 HydrophobicContact CB-CB 4.33Å; E307-V311 HydrophobicContact CB-CG1 4.17Å; P308-V311 HydrophobicContact CG-CB 4.17Å; P308-V311 HydrophobicContact CG-CG2 3.79Å; P308-V311 WeakPolarHBondContact O-CA 3.5Å; P308-V311 WeakPolarHBondContact O-CB 3.36Å; P308-V311 PolarHBondContact O-N 2.94Å; E309-V311 VanDerWaalsContact C-N 3.25Å; E309-V311 PolarHBondContact O-N 3.07Å; V311-N313 VanDerWaalsContact C-N 3.28Å; V311-N313 PolarHBondContact O-N 3.23Å; V311-S314 PolarHBondContact O-N 3.13Å; V311-S314 PolarHBondContact O-OG 3.06Å; V311-H315 PolarHBondContact O-CE1 2.95Å; V311-H315 PolarHBondContact O-ND1 3.44Å
312I93.3Very high92Very high21 Ų2181.3 Ų81.311%0.10843%0.434CS..Hα-helixtrans-55.2-45.4176.7-62.7172.2000110.8R297 H298 C299 C302 E303 E307 P308 E309 S314R297-I312 VanDerWaalsContact O-O 3.05Å; H298-I312 CarbonylContact C-O 3.53Å; H298-I312 WeakPolarHBondContact CA-O 3.49Å; H298-I312 WeakPolarHBondContact ND1-CG2 3.41Å; C299-I312 PolarHBondContact N-O 2.87Å; C302-I312 HydrophobicContact CB-CG1 4.2Å; E303-I312 HydrophobicContact CB-CD1 4.08Å; E303-I312 HydrophobicContact CB-CG1 4.38Å; E303-I312 HydrophobicContact CB-CG2 4.07Å; E303-I312 HydrophobicContact CG-CD1 4.4Å; E307-I312 HydrophobicContact CB-CG1 4.42Å; E307-I312 WeakPolarHBondContact O-CD1 3.46Å; P308-I312 PolarHBondContact O-N 2.88Å; E309-I312 PolarHBondContact O-N 3.38Å; I312-S314 PolarHBondContact O-N 2.92Å
313N92.5Very high91.9Very high74 Ų7486.6 Ų86.640%0.39645%0.454SS..THydrogen-bonded Turntrans-90.510.8-175.7-66.4-24.4000114.1R297 E309 V311R297-N313 CarbonylContact O-C 3.32Å; R297-N313 WeakPolarHBondContact O-CA 3.34Å; E309-N313 VanDerWaalsContact CG-ND2 3.32Å; E309-N313 WeakPolarHBondContact CG-ND2 3.38Å; E309-N313 WeakPolarHBondContact O-CB 3.32Å; E309-N313 PolarHBondContact O-N 3.37Å; E309-N313 PolarHBondContact OE1-ND2 2.84Å; V311-N313 VanDerWaalsContact C-N 3.28Å; V311-N313 PolarHBondContact O-N 3.23Å
314S90.8Very high92Very high56 Ų5682.1 Ų82.139%0.39243%0.433SS..THydrogen-bonded Turntrans-89.6-26.7179.564.50000114.8R297 A310 V311 I312R297-S314 WeakPolarHBondContact CD-O 3.37Å; R297-S314 PolarHBondContact O-N 3.43Å; A310-S314 WeakPolarHBondContact O-CB 3.28Å; V311-S314 PolarHBondContact O-N 3.13Å; V311-S314 PolarHBondContact O-OG 3.06Å; I312-S314 PolarHBondContact O-N 2.92Å
315H91.9Very high92Very high23 Ų2379.4 Ų79.411%0.10642%0.418CS..  trans-152.4156.3-171.462.1-83.2000112.3R297 H298 C299 V311 C326R297-H315 CarbonylContact C-O 3.18Å; R297-H315 CarbonylContact O-C 3.54Å; R297-H315 VanDerWaalsContact O-C 3.32Å; R297-H315 PolarHBondContact O-N 2.92Å; H298-H315 CarbonylContact C-O 2.9Å; H298-H315 VanDerWaalsContact C-O 3.23Å; C299-H315 WeakPolarHBondContact CB-NE2 3.16Å; C299-H315 VanDerWaalsContact CB-O 3.26Å; C299-H315 WeakPolarHBondContact CB-O 3.3Å; C299-H315 PolarHBondContact N-O 3.26Å; C299-H315 PolarHBondContact SG-NE2 3.14Å; V311-H315 PolarHBondContact O-CE1 2.95Å; V311-H315 PolarHBondContact O-ND1 3.44Å; H315-C326 VanDerWaalsContact CD2-CA 3.42Å; H315-C326 WeakPolarHBondContact CD2-CA 3.4Å; H315-C326 PolarHBondContact NE2-SG 3.47Å
316S93.5Very high92.1Very high43 Ų4375.9 Ų75.930%0.30140%0.399SS..  trans-86.5161.9167.356.40000111.3R318 L325S316-R318 PolarHBondContact O-N 3.34Å; S316-R318 PolarHBondContact OG-O 2.87Å; S316-L325 WeakPolarHBondContact O-CB 3.38Å
317V93.3Very high92.1Very high39 Ų3972.1 Ų72.124%0.23638%0.383CS..SBendtrans-62.2-43.9175.7-173.10000111.2V300 F301 L325 C326 L329V300-V317 HydrophobicContact CB-CG2 4.19Å; F301-V317 HydrophobicContact CB-CG1 4.43Å; F301-V317 HydrophobicContact CB-CG2 4.34Å; V317-L325 PolarHBondContact O-N 3.12Å; V317-C326 PolarHBondContact O-N 3.28Å; V317-L329 HydrophobicContact CG1-CD2 4.31Å
318R92.6Very high92.1Very high136 Ų13674.9 Ų74.951%0.51340%0.395SS..BIsolated β-bridgetrans-131.6158.4-180-65.6-175.6-178177.70.3112.3S316 R323S316-R318 PolarHBondContact O-N 3.34Å; S316-R318 PolarHBondContact OG-O 2.87Å; R318-R323 CarbonylContact C-O 3.57Å; R318-R323 VanDerWaalsContact CA-O 3.23Å; R318-R323 WeakPolarHBondContact CA-O 3.28Å
319D90.8Very high92.2Very high35 Ų3571.7 Ų71.719%0.18737%0.373CS..  trans-85.4167.5174.6-165.47000112F321 N322 R323 L325D319-F321 PolarHBondContact O-N 3.21Å; D319-F321 VanDerWaalsContact O-N 3.15Å; D319-N322 PolarHBondContact O-N 2.83Å; D319-R323 HydrophobicContact CB-CB 4.38Å; D319-R323 PolarHBondContact N-O 3.48Å; D319-R323 IonicContact OD2-CZ 3.47Å; D319-R323 IonicContact OD2-NE 3.39Å; D319-R323 PolarHBondContact OD2-NE 2.95Å; D319-R323 IonicContact OD2-NH2 2.71Å; D319-R323 PolarHBondContact OD2-NH2 3.18Å; D319-L325 HydrophobicContact CB-CD1 3.74Å; D319-L325 HydrophobicContact CB-CD2 4.14Å; D319-L325 HydrophobicContact CB-CG 3.79Å
320N90.3Very high92.4Very high156 Ų15668.8 Ų68.883%0.83436%0.356SS*.THydrogen-bonded Turntrans-56.6-26.7169.7-67.6104.8000112.8N322N320-N322 VanDerWaalsContact C-N 3.29Å; N320-N322 PolarHBondContact O-N 2.97Å
321F87.6Confident92.6Very high161 Ų16170 Ų7071%0.70636%0.355SS*.THydrogen-bonded Turntrans-87.717.1174.9-60.7-79.7000113.8D319 R323D319-F321 PolarHBondContact O-N 3.21Å; D319-F321 VanDerWaalsContact O-N 3.15Å; F321-R323 HydrophobicContact CB-CG 4.39Å; F321-R323 PolarHBondContact O-N 2.94Å
322N88.9Confident92.9Very high120 Ų12072 Ų7264%0.64236%0.358SS*.SBendtrans60.13-177-81.5-63.5000117D319 N320D319-N322 PolarHBondContact O-N 2.83Å; N320-N322 VanDerWaalsContact C-N 3.29Å; N320-N322 PolarHBondContact O-N 2.97Å
323R92.3Very high93Very high111 Ų11175.1 Ų75.142%0.41938%0.378SS..  trans-68.1144.9172.6-57.6178.5-63.5-177.30110.9R318 D319 F321 L325 D342R318-R323 CarbonylContact C-O 3.57Å; R318-R323 VanDerWaalsContact CA-O 3.23Å; R318-R323 WeakPolarHBondContact CA-O 3.28Å; D319-R323 HydrophobicContact CB-CB 4.38Å; D319-R323 PolarHBondContact N-O 3.48Å; D319-R323 IonicContact OD2-CZ 3.47Å; D319-R323 IonicContact OD2-NE 3.39Å; D319-R323 PolarHBondContact OD2-NE 2.95Å; D319-R323 IonicContact OD2-NH2 2.71Å; D319-R323 PolarHBondContact OD2-NH2 3.18Å; F321-R323 HydrophobicContact CB-CG 4.39Å; F321-R323 PolarHBondContact O-N 2.94Å; R323-L325 PolarHBondContact O-N 3.27Å; R323-D342 HydrophobicContact CB-CB 4.43Å; R323-D342 HydrophobicContact CG-CB 4.48Å
324V95.3Very high93.2Very high3 Ų371.7 Ų71.72%0.01836%0.36CS..BIsolated β-bridgetrans-70.7124.5174.1-179.30000110.8C326 L329 R330 D342 A344V324-C326 HydrophobicContact CG1-CB 4.38Å; V324-L329 HydrophobicContact CG1-CB 3.87Å; V324-L329 HydrophobicContact CG1-CD2 3.79Å; V324-L329 HydrophobicContact CG1-CG 3.86Å; V324-L329 HydrophobicContact CG2-CD2 4.34Å; V324-R330 HydrophobicContact CB-CG 4.27Å; V324-R330 HydrophobicContact CG1-CG 3.91Å; V324-R330 WeakPolarHBondContact O-CD 3.37Å; V324-R330 PolarHBondContact O-NH1 2.89Å; V324-D342 PolarHBondContact N-O 2.86Å; V324-A344 VanDerWaalsContact CG2-O 3.29Å; V324-A344 WeakPolarHBondContact CG2-O 3.39Å
325L94.4Very high93.5Very high69 Ų6974.1 Ų74.136%0.36137%0.374SS..  trans-97.6-25.6174.8-70.6177000113S316 V317 D319 R323 P327S316-L325 WeakPolarHBondContact O-CB 3.38Å; V317-L325 PolarHBondContact O-N 3.12Å; D319-L325 HydrophobicContact CB-CD1 3.74Å; D319-L325 HydrophobicContact CB-CD2 4.14Å; D319-L325 HydrophobicContact CB-CG 3.79Å; R323-L325 PolarHBondContact O-N 3.27Å; L325-P327 WeakPolarHBondContact O-CD 3.48Å
326C94.9Very high93.7Very high0 Ų080.5 Ų80.50%041%0.407CS..  trans-61.4117.5-178.11770000112.2C302 H315 V317 V324 K328 L329 R330C302-C326 VanDerWaalsContact SG-SG 3.63Å; H315-C326 VanDerWaalsContact CD2-CA 3.42Å; H315-C326 WeakPolarHBondContact CD2-CA 3.4Å; H315-C326 PolarHBondContact NE2-SG 3.47Å; V317-C326 PolarHBondContact O-N 3.28Å; V324-C326 HydrophobicContact CG1-CB 4.38Å; C326-K328 VanDerWaalsContact C-N 3.3Å; C326-K328 PolarHBondContact O-N 3.43Å; C326-L329 HydrophobicContact CB-CB 4.01Å; C326-L329 PolarHBondContact O-N 3.26Å; C326-R330 VanDerWaalsContact O-CG 3.25Å; C326-R330 WeakPolarHBondContact O-CG 3.43Å; C326-R330 PolarHBondContact O-N 3.32Å
327P94.2Very high93.9Very high72 Ų7282.2 Ų82.247%0.46842%0.418SS..Hα-helixtrans-63.1-35.7-175.624.7-33.4000112.5L325 R330 T331L325-P327 WeakPolarHBondContact O-CD 3.48Å; P327-R330 PolarHBondContact O-N 3.25Å; P327-T331 PolarHBondContact O-N 3.02Å; P327-T331 VanDerWaalsContact O-N 3.09Å; P327-T331 PolarHBondContact O-OG1 3.48Å
328K93.8Very high93.9Very high101 Ų10182.7 Ų82.744%0.43943%0.431SS..Hα-helixtrans-64.1-45176.6-64.4-74.8178128.30111.8F301 E307 C326 T331 Y332F301-K328 HydrophobicContact CD1-CB 4.44Å; F301-K328 HydrophobicContact CE1-CB 3.99Å; E307-K328 WeakPolarHBondContact OE1-CE 3.45Å; E307-K328 IonicContact OE1-NZ 2.65Å; E307-K328 PolarHBondContact OE1-NZ 2.99Å; E307-K328 IonicContact OE2-NZ 3.58Å; C326-K328 VanDerWaalsContact C-N 3.3Å; C326-K328 PolarHBondContact O-N 3.43Å; K328-T331 PolarHBondContact O-N 3.44Å; K328-T331 PolarHBondContact O-OG1 3.07Å; K328-Y332 PolarHBondContact O-N 3.2Å
329L94.8Very high94Very high11 Ų1177.1 Ų77.16%0.05842%0.415CS..Hα-helixtrans-69.6-38.7176.5-173.256.7000111.2F301 V317 V324 C326 T331 Y332 A344 T346F301-L329 HydrophobicContact CD1-CB 4Å; F301-L329 HydrophobicContact CE1-CB 3.89Å; F301-L329 HydrophobicContact CE1-CD1 4.45Å; F301-L329 HydrophobicContact CE2-CD1 4.01Å; F301-L329 HydrophobicContact CG-CB 4.45Å; F301-L329 HydrophobicContact CZ-CB 4.29Å; F301-L329 HydrophobicContact CZ-CD1 3.97Å; V317-L329 HydrophobicContact CG1-CD2 4.31Å; V324-L329 HydrophobicContact CG1-CB 3.87Å; V324-L329 HydrophobicContact CG1-CD2 3.79Å; V324-L329 HydrophobicContact CG1-CG 3.86Å; V324-L329 HydrophobicContact CG2-CD2 4.34Å; C326-L329 HydrophobicContact CB-CB 4.01Å; C326-L329 PolarHBondContact O-N 3.26Å; L329-T331 VanDerWaalsContact C-N 3.26Å; L329-T331 PolarHBondContact O-N 3.39Å; L329-Y332 VanDerWaalsContact O-CB 3.28Å; L329-Y332 WeakPolarHBondContact O-CB 3.37Å; L329-Y332 PolarHBondContact O-N 3.4Å; L329-A344 HydrophobicContact CG-CB 4.29Å; L329-A344 WeakPolarHBondContact O-CB 3.46Å; L329-T346 HydrophobicContact CD1-CG2 3.99Å
330R95.9Very high94.2Very high84 Ų8477.6 Ų77.632%0.31742%0.421SS..Hα-helixtrans-59.1-33.6175-71175.274.782.38.4113.3V324 C326 P327 Y332 S340 G341 D342V324-R330 HydrophobicContact CB-CG 4.27Å; V324-R330 HydrophobicContact CG1-CG 3.91Å; V324-R330 WeakPolarHBondContact O-CD 3.37Å; V324-R330 PolarHBondContact O-NH1 2.89Å; C326-R330 VanDerWaalsContact O-CG 3.25Å; C326-R330 WeakPolarHBondContact O-CG 3.43Å; C326-R330 PolarHBondContact O-N 3.32Å; P327-R330 PolarHBondContact O-N 3.25Å; R330-Y332 VanDerWaalsContact C-N 3.31Å; R330-S340 PolarHBondContact O-OG 3.43Å; R330-S340 VanDerWaalsContact O-OG 3.11Å; R330-G341 WeakPolarHBondContact O-CA 3.31Å; R330-G341 PolarHBondContact O-N 3.48Å; R330-D342 IonicContact CZ-OD1 3.16Å; R330-D342 IonicContact NH1-OD1 2.65Å; R330-D342 PolarHBondContact NH1-OD1 3.21Å; R330-D342 IonicContact NH2-OD1 2.77Å; R330-D342 PolarHBondContact NH2-OD1 3.09Å
331T94.2Very high94.4Very high110 Ų11071 Ų7168%0.67539%0.39SS*.THydrogen-bonded Turntrans-78.1-12.1175.747.70000114.1P327 K328 L329P327-T331 PolarHBondContact O-N 3.02Å; P327-T331 VanDerWaalsContact O-N 3.09Å; P327-T331 PolarHBondContact O-OG1 3.48Å; K328-T331 PolarHBondContact O-N 3.44Å; K328-T331 PolarHBondContact O-OG1 3.07Å; L329-T331 VanDerWaalsContact C-N 3.26Å; L329-T331 PolarHBondContact O-N 3.39Å
332Y95.4Very high94.7Very high86 Ų8667.1 Ų67.134%0.33738%0.376SS..  trans-72.7141.9174.4-172.7-104.8000110.3K328 L329 R330 C334 P335 S340 H345K328-Y332 PolarHBondContact O-N 3.2Å; L329-Y332 VanDerWaalsContact O-CB 3.28Å; L329-Y332 WeakPolarHBondContact O-CB 3.37Å; L329-Y332 PolarHBondContact O-N 3.4Å; R330-Y332 VanDerWaalsContact C-N 3.31Å; Y332-C334 HydrophobicContact CE1-CB 4.41Å; Y332-P335 VanDerWaalsContact OH-CD 3.23Å; Y332-P335 WeakPolarHBondContact OH-CD 3.49Å; Y332-S340 WeakPolarHBondContact O-CA 3.11Å; Y332-S340 VanDerWaalsContact O-CB 3.31Å; Y332-S340 WeakPolarHBondContact O-CB 3.42Å; Y332-S340 PolarHBondContact O-OG 3.02Å; Y332-H345 WeakPolarHBondContact CD1-O 3.29Å; Y332-H345 WeakPolarHBondContact CE1-O 3.42Å
333V95.8Very high94.9Very high87 Ų8765.1 Ų65.153%0.52737%0.371SS..  trans-117.3116.4173.3-1780000106.5P335V333-P335 WeakPolarHBondContact O-CD 3.46Å
334C97.4Very high95Very high3 Ų359.9 Ų59.92%0.0235%0.352CS..  trans-62.5123-179.1173.80000110.4Y332 I336 G338 A339 H345Y332-C334 HydrophobicContact CE1-CB 4.41Å; C334-I336 PolarHBondContact O-N 2.98Å; C334-G338 VanDerWaalsContact O-CA 3.27Å; C334-G338 WeakPolarHBondContact O-CA 3.33Å; C334-G338 PolarHBondContact O-N 2.87Å; C334-A339 PolarHBondContact N-O 3.12Å; C334-H345 PolarHBondContact SG-NE2 2.8Å; C334-H345 VanDerWaalsContact SG-NE2 3.39Å
335P96Very high94.9Very high107 Ų10763.3 Ų63.370%0.69537%0.368SS*.THydrogen-bonded Turntrans-70.4-13.5-176.728.4-35.5000113.4Y332 V333Y332-P335 VanDerWaalsContact OH-CD 3.23Å; Y332-P335 WeakPolarHBondContact OH-CD 3.49Å; V333-P335 WeakPolarHBondContact O-CD 3.46Å
336I96.9Very high94.8Very high156 Ų15665.9 Ų65.980%0.839%0.386SS*.THydrogen-bonded Turntrans-90.9-41-178.6-55.5174.1000111.3C334C334-I336 PolarHBondContact O-N 2.98Å
337C96.7Very high94.8Very high79 Ų7969.2 Ų69.253%0.53441%0.406SS..THydrogen-bonded Turntrans-126.4-3.8-172.971.80000115.4A339 H345C337-A339 PolarHBondContact O-N 3.02Å; C337-A339 VanDerWaalsContact SG-CB 3.52Å; C337-H345 PolarHBondContact SG-CE1 2.85Å; C337-H345 PolarHBondContact SG-NE2 3.05Å; C337-H345 VanDerWaalsContact SG-NE2 3.44Å
338G93.8Very high94.9Very high49 Ų4969 Ų6951%0.50540%0.402SS..  trans732.7-17900000115.7C334C334-G338 VanDerWaalsContact O-CA 3.27Å; C334-G338 WeakPolarHBondContact O-CA 3.33Å; C334-G338 PolarHBondContact O-N 2.87Å
339A95.4Very high94.9Very high20 Ų2067.2 Ų67.217%0.16540%0.4CS..  trans-64139.7-179.700000112.2C334 C337C334-A339 PolarHBondContact N-O 3.12Å; C337-A339 PolarHBondContact O-N 3.02Å; C337-A339 VanDerWaalsContact SG-CB 3.52Å
340S95Very high94.9Very high45 Ų4570.5 Ų70.532%0.31542%0.421SS..  trans-156.6173.5-177.1-165.40000110.6R330 Y332 D342 S343R330-S340 PolarHBondContact O-OG 3.43Å; R330-S340 VanDerWaalsContact O-OG 3.11Å; Y332-S340 WeakPolarHBondContact O-CA 3.11Å; Y332-S340 VanDerWaalsContact O-CB 3.31Å; Y332-S340 WeakPolarHBondContact O-CB 3.42Å; Y332-S340 PolarHBondContact O-OG 3.02Å; S340-D342 PolarHBondContact O-N 3.45Å; S340-S343 PolarHBondContact O-OG 2.92Å
341G94.1Very high94.9Very high18 Ų1869.7 Ų69.719%0.18643%0.427CS..G310 helixtrans63.5-123.1-178.500000112.9R330 S343 A344R330-G341 WeakPolarHBondContact O-CA 3.31Å; R330-G341 PolarHBondContact O-N 3.48Å; G341-S343 VanDerWaalsContact C-N 3.25Å; G341-S343 PolarHBondContact O-N 3.15Å; G341-A344 WeakPolarHBondContact O-CB 3.44Å; G341-A344 PolarHBondContact O-N 3.16Å
342D94.4Very high94.9Very high79 Ų7967 Ų6742%0.42241%0.411SS..G310 helixtrans-63-28.3-174.9-69.1-13.8000113.7R323 V324 R330 S340R323-D342 HydrophobicContact CB-CB 4.43Å; R323-D342 HydrophobicContact CG-CB 4.48Å; V324-D342 PolarHBondContact N-O 2.86Å; R330-D342 IonicContact CZ-OD1 3.16Å; R330-D342 IonicContact NH1-OD1 2.65Å; R330-D342 PolarHBondContact NH1-OD1 3.21Å; R330-D342 IonicContact NH2-OD1 2.77Å; R330-D342 PolarHBondContact NH2-OD1 3.09Å; S340-D342 PolarHBondContact O-N 3.45Å
343S93.1Very high94.9Very high77 Ų7765.6 Ų65.654%0.53842%0.416SS..G310 helixtrans-106.511.6-178.159.40000113.9S340 G341 H345S340-S343 PolarHBondContact O-OG 2.92Å; G341-S343 VanDerWaalsContact C-N 3.25Å; G341-S343 PolarHBondContact O-N 3.15Å; S343-H345 PolarHBondContact O-ND1 2.91Å; S343-H345 VanDerWaalsContact O-ND1 3.12Å
344A94.5Very high94.8Very high2 Ų264 Ų642%0.01741%0.407CS..  trans-59.6141.5-178.500000112.7V324 L329 G341V324-A344 VanDerWaalsContact CG2-O 3.29Å; V324-A344 WeakPolarHBondContact CG2-O 3.39Å; L329-A344 HydrophobicContact CG-CB 4.29Å; L329-A344 WeakPolarHBondContact O-CB 3.46Å; G341-A344 WeakPolarHBondContact O-CB 3.44Å; G341-A344 PolarHBondContact O-N 3.16Å
345H93.4Very high94.6Very high74 Ų7469.1 Ų69.134%0.34344%0.439SS..  trans-154.5151.7174.855.5-87.9000108.7Y332 C334 C337 S343Y332-H345 WeakPolarHBondContact CD1-O 3.29Å; Y332-H345 WeakPolarHBondContact CE1-O 3.42Å; C334-H345 PolarHBondContact SG-NE2 2.8Å; C334-H345 VanDerWaalsContact SG-NE2 3.39Å; C337-H345 PolarHBondContact SG-CE1 2.85Å; C337-H345 PolarHBondContact SG-NE2 3.05Å; C337-H345 VanDerWaalsContact SG-NE2 3.44Å; S343-H345 PolarHBondContact O-ND1 2.91Å; S343-H345 VanDerWaalsContact O-ND1 3.12Å
346T91.9Very high94.5Very high123 Ų12365.6 Ų65.676%0.75542%0.416SS*.  trans-81.50169.553.70000110.8F301 L329F301-T346 HydrophobicContact CE2-CG2 3.79Å; F301-T346 HydrophobicContact CZ-CG2 4.32Å; L329-T346 HydrophobicContact CD1-CG2 3.99Å

Retrieved 346 of 346 residues in 161.1 ms (Link to these results)