G4VJB4_SCHMA Loading...

Putative ribonucleic acid binding protein S1

AlphaFold DB , UniProt , Accession G4VJB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 527 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
1M41.9Very low49.1Very low237 Ų237138.5 Ų138.5100%1.16782%0.817SS**  01390-76.5-63.2139.400107.9
2P57.3Low49.6Very low111 Ų111144.3 Ų144.372%0.72183%0.825SS**  trans-123.6129.2-137.334.4-18.6000116.1
3D42.5Very low49.1Very low141 Ų141141.7 Ų141.775%0.75481%0.813SS**  49.9150.6100.9-148.48.8000122.3
4L53.7Low49.5Very low143 Ų143143.9 Ų143.975%0.74982%0.82SS**  trans68.4159.3166.9-51.1-178.1000119.4
5S46.8Very low49.5Very low100 Ų100143.7 Ų143.770%0.69981%0.814SS**  cis-167.4149-37.461.30000112.8
6S47Very low49.9Very low111 Ų111142.2 Ų142.278%0.77681%0.811SS**  trans-22.6139.7170.858.70000123.8
7S51.1Low49.9Very low117 Ų117138.9 Ų138.982%0.81881%0.806SS**  trans-161.3137.9137.659.40000108.8
8K48.9Very low49.6Very low199 Ų199142.6 Ų142.687%0.86581%0.81SS**  cis81.299.225.2-78.5-165.7175.6-179.50117.3
9S52.1Low50.1Low125 Ų125145.8 Ų145.887%0.87481%0.814SS**  trans157162.4148.748.70000110.7
10S49.9Very low49.7Very low117 Ų117146.2 Ų146.282%0.81882%0.815SS**  cis-154.3169.1-43.8-156.90000111
11T49Very low50.2Low122 Ų122144.6 Ų144.675%0.74881%0.81SS**  trans-61.4150.7-175.4530000116.6
12K54.6Low50.5Low209 Ų209142 Ų14291%0.90980%0.801SS**  -156.9154.3122-126175.6-176.9177.50114.8
13T44Very low49.9Very low110 Ų110146.4 Ų146.468%0.67581%0.808SS**  trans-106.8157-173.2-240000111.4
14L54.5Low50.1Low173 Ų173144.9 Ų144.991%0.90681%0.809SS**  trans-158.6159.1140.1-13182.5000112.1
15I49.9Very low50Low141 Ų141144.4 Ų144.472%0.72381%0.812SS**  trans-145.2141.5-171.4-56168.1000104.1
16P55.5Low49.8Very low119 Ų119146.3 Ų146.377%0.77381%0.814SS**  -166.7-176.27546.2-22.6000121.7
17A50.4Low49.9Very low87 Ų87151.2 Ų151.272%0.71982%0.822SS**  trans8688.8139.100000122.8
18K44.4Very low49.5Very low204 Ų204150.9 Ų150.989%0.88781%0.814SS**  21.2130.4124.4-62.8177176.2177.90120.2
19K58.3Low49.4Very low204 Ų204147 Ų14789%0.88781%0.812SS**  trans-158.8141.5131.9-112.6169.5-175.5177.10112
20N42.9Very low49Very low154 Ų154149.1 Ų149.182%0.82481%0.808SS**  trans-120.6-166.1176.2-64.73.6000108.7
21P59.9Low48.8Very low112 Ų112149.2 Ų149.273%0.72781%0.809SS**  -127166.2-77.738.9-24.7000112.9
22L47.9Very low48.9Very low184 Ų184148.7 Ų148.796%0.96381%0.81SS**  trans-142.1171.5162.6-84.4-174.6000112.7
23K44.5Very low48.2Very low202 Ų202144.7 Ų144.788%0.87881%0.808SS**  trans-149.1122.6-148.9173.6-168.2176.9-172.20112.9
24S46.5Very low48.6Very low109 Ų109145.1 Ų145.176%0.76282%0.816SS**  trans-173.5155.317146.50000109.8
25T52.8Low48.1Very low133 Ų133147.3 Ų147.382%0.81681%0.812SS**  cis-154.7160.7-20.616.10000108.5
26D42Very low48Very low140 Ų140148.6 Ų148.675%0.74982%0.815SS**  trans-66.7157.2-174.9-48.4-100.9000115.4
27K49.8Very low47.6Very low215 Ų215149.6 Ų149.694%0.93581%0.809SS**  trans-139.5139.8135.7-79.1-148.9171.8-170.80111.9
28V41.7Very low47.2Very low109 Ų109152.8 Ų152.866%0.66181%0.814SS**  trans-110145.6-175.61770000109.8
29S47.1Very low47.3Very low118 Ų118152 Ų15283%0.82581%0.805SS**  trans-149.1156.715758.10000110
30H43.8Very low46.6Very low169 Ų169151.5 Ų151.578%0.78280%0.803SS**  trans-118.4137.8-160.5-55.7-94.5000113.7
31S46.3Very low46.8Very low119 Ų119152.8 Ų152.883%0.83280%0.798SS**  trans173.2150.514539.20000110
32S49.8Very low46.1Very low111 Ų111152.6 Ų152.678%0.77680%0.799SS**  cis-158.1128.8-25.446.10000108
33S40.5Very low46.2Very low125 Ų125152.2 Ų152.287%0.87479%0.792SS**  trans-83.2119.6-177.6-176.60000111.4
34S53.2Low46.4Very low119 Ų119147 Ų14783%0.83278%0.781SS**  trans-114.5113.5172.8-1620000110.5
35R44Very low46.5Very low220 Ų220151 Ų15183%0.8379%0.785SS**  trans-71.7176.8178.6-77.3166.3144.8162.2-8.3112.1
36Q47.8Very low46.2Very low168 Ų168151.3 Ų151.379%0.78578%0.78SS**  trans74.6112.5165.6-57165.4-16.700114.1
37H45.3Very low46.6Very low140 Ų140150.2 Ų150.265%0.64878%0.778SS**  -160.2127.551.5-97.7-78.1000114R39H37-R39 HydrophobicContact CB-CG 4.35Å; H37-R39 PolarHBondContact O-N 3.41Å
38D42.6Very low46.6Very low153 Ų153151.2 Ų151.282%0.81878%0.776SS**  trans-63.9111.1154.9-77.5-80.7000110.6
39R47.6Very low47Very low188 Ų188150.6 Ų150.671%0.70978%0.777SS**  trans-112.788.3166.9-70.5-169-178.9177.12.5110.5H37 Y41H37-R39 HydrophobicContact CB-CG 4.35Å; H37-R39 PolarHBondContact O-N 3.41Å; R39-Y41 VanDerWaalsContact C-N 3.28Å; R39-Y41 HydrophobicContact CB-CD2 4.25Å; R39-Y41 PolarHBondContact O-N 2.97Å
40K43Very low47.9Very low193 Ų193150.2 Ų150.284%0.83977%0.771SS**  trans-6282.7169.7-65.9175.8179.4175.30110.6S42K40-S42 PolarHBondContact O-N 3.48Å
41Y47.2Very low48.9Very low181 Ų181148.2 Ų148.271%0.7177%0.774SS**  trans-85.691171.6-100.8-80.1000110.8R39 H43R39-Y41 VanDerWaalsContact C-N 3.28Å; R39-Y41 HydrophobicContact CB-CD2 4.25Å; R39-Y41 PolarHBondContact O-N 2.97Å; Y41-H43 PolarHBondContact O-N 3.42Å; Y41-H43 PolarHBondContact O-ND1 3.24Å
42S45.7Very low49.1Very low108 Ų108154.1 Ų154.176%0.75578%0.778SS**  trans-57.3104.6168.839.20000110.2K40 S44K40-S42 PolarHBondContact O-N 3.48Å; S42-S44 VanDerWaalsContact C-N 3.28Å; S42-S44 PolarHBondContact O-N 3.22Å
43H48.8Very low49.3Very low177 Ų177160.3 Ų160.382%0.81978%0.784SS**  trans-71.787.5173.1-8058.2000109.2Y41Y41-H43 PolarHBondContact O-N 3.42Å; Y41-H43 PolarHBondContact O-ND1 3.24Å
44S48Very low49.6Very low91 Ų91165.9 Ų165.964%0.63679%0.786SS**  trans-58.9135.8170.553.70000109.3S42 I46S42-S44 VanDerWaalsContact C-N 3.28Å; S42-S44 PolarHBondContact O-N 3.22Å; S44-I46 VanDerWaalsContact C-N 3.33Å; S44-I46 PolarHBondContact O-N 3.39Å
45K48.6Very low49.4Very low194 Ų194164.5 Ų164.584%0.84378%0.782SS**  trans-72.583.3-171-65.1174.3-179.7175.50110.6T47K45-T47 PolarHBondContact O-N 3.34Å
46I47.4Very low49.7Very low140 Ų140165.9 Ų165.972%0.71879%0.787SS**  trans-7382.9171.9-57.2-178.2000108.7S44 R48S44-I46 VanDerWaalsContact C-N 3.33Å; S44-I46 PolarHBondContact O-N 3.39Å; I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 HydrophobicContact CG2-CG 4.33Å; I46-R48 PolarHBondContact O-N 3.37Å
47T50.4Low49.8Very low117 Ų117168.3 Ų168.372%0.71879%0.789SS**  trans-69.583170.844.40000109.6K45 S49K45-T47 PolarHBondContact O-N 3.34Å; T47-S49 PolarHBondContact O-N 3.06Å; T47-S49 PolarHBondContact O-OG 2.59Å
48R49.4Very low49.7Very low235 Ų235167.1 Ų167.189%0.88780%0.797SS**  trans-63.379.4171.8-101.8-173.2167.9-159-2.4110.5I46I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 HydrophobicContact CG2-CG 4.33Å; I46-R48 PolarHBondContact O-N 3.37Å
49S51.3Low50.1Low97 Ų97170.8 Ų170.868%0.67880%0.799SS**  trans-58.3132.8174.2-65.50000109.3T47T47-S49 PolarHBondContact O-N 3.06Å; T47-S49 PolarHBondContact O-OG 2.59Å
50P65.5Low49.8Very low109 Ų109168.4 Ų168.471%0.70881%0.805SS**  trans-57.3147.2176.4-25.334.3000111.5R52P50-R52 PolarHBondContact O-N 3.07Å
51P63.7Low49.8Very low128 Ų128164 Ų16483%0.83180%0.799SS**  trans-62104175.125.8-33.4000109.7R53P51-R53 PolarHBondContact O-N 2.97Å
52R51.9Low49.6Very low243 Ų243161.4 Ų161.492%0.91780%0.802SS**  trans-54.7106.6179.3-90.2178.6141.2-174.8-4.5110P50 R54P50-R52 PolarHBondContact O-N 3.07Å; R52-R54 PolarHBondContact O-N 3.19Å
53R53.7Low49.4Very low240 Ų240161.9 Ų161.991%0.90681%0.806SS**  trans-52.6116.2169.4-74.1176.969.3177.11.2108.2P51 A55P51-R53 PolarHBondContact O-N 2.97Å; R53-A55 PolarHBondContact O-N 2.96Å
54R47.6Very low49Very low242 Ų242158.8 Ų158.891%0.91380%0.804SS**  trans-7195.4-173.1-154.5175.3-170.1177.52.8109.1R52 R56R52-R54 PolarHBondContact O-N 3.19Å; R54-R56 PolarHBondContact O-N 3.48Å
55A47.1Very low48.8Very low90 Ų90159.6 Ų159.674%0.74481%0.809SS**  trans-64.295.3-179.600000110.7R53 R57R53-A55 PolarHBondContact O-N 2.96Å; A55-R57 VanDerWaalsContact C-N 3.29Å; A55-R57 PolarHBondContact O-N 3.02Å
56R51.6Low48.5Very low250 Ų250154.8 Ų154.894%0.94380%0.8SS**  trans-68.292165-85-172.9163.2-179.5-5.2107.9R54 S58R54-R56 PolarHBondContact O-N 3.48Å; R56-S58 PolarHBondContact O-N 3.26Å
57R49.5Very low48.3Very low218 Ų218154.6 Ų154.682%0.82380%0.8SS**  trans-54.5122.3170-81.7177.4156.6175.2-7.2109A55 R59A55-R57 VanDerWaalsContact C-N 3.29Å; A55-R57 PolarHBondContact O-N 3.02Å; R57-R59 PolarHBondContact O-N 2.86Å
58S42.7Very low47.8Very low116 Ų116153.6 Ų153.681%0.81180%0.798SS**  trans-60127.5159.937.40000109.1R56R56-S58 PolarHBondContact O-N 3.26Å
59R50.6Low47.4Very low229 Ų229149.7 Ų149.786%0.86480%0.795SS**  trans-134.2135.8159.4-85.5-166.2164.1-175-6.2108.6R57R57-R59 PolarHBondContact O-N 2.86Å
60T42.4Very low46.9Very low138 Ų138150 Ų15085%0.84780%0.798SS**  trans-98.8121.5-168.9460000111
61S43.4Very low45.8Very low100 Ų100150.1 Ų150.170%0.69980%0.801SS**  trans-165.899.6160.848.10000106.1
62T42.9Very low44.9Very low128 Ų128149.1 Ų149.179%0.78580%0.797SS**  68.8134.975.763.10000113.2
63S41.5Very low44.5Very low118 Ų118143.2 Ų143.283%0.82579%0.793SS**  trans76.9153.7-172.687.80000116.2
64S39.4Very low44Very low112 Ų112139 Ų13978%0.78379%0.788SS**  -173.7106.9-5845.60000112.2
65S43.4Very low43.9Very low107 Ų107132.1 Ų132.175%0.74878%0.777SS**  trans-172.6145.5161.962.60000105.7
66S43.2Very low43.7Very low93 Ų93134.9 Ų134.965%0.6578%0.779SS**  cis60131.347.7101.40000110.9
67D42.4Very low43.5Very low136 Ų136127.3 Ų127.373%0.72777%0.765SS**  cis-131145.919.8-53.4-52.8000110.7
68S40.8Very low43.4Very low96 Ų96123.9 Ų123.967%0.67176%0.763SS**  50.8107.478.224.10000117.8
69N41.7Very low43.5Very low153 Ų153125.4 Ų125.482%0.81876%0.762SS**  trans162.7131.9136.5-79.1-15.4000109
70S39.6Very low43.3Very low105 Ų105118.8 Ų118.873%0.73475%0.751SS**  cis91.795.612.4870000118.2
71S42.6Very low43.6Very low110 Ų110117.8 Ų117.877%0.76975%0.75SS**  trans-170.5130144.351.10000107.9
72S44.8Very low43.8Very low107 Ų107117.3 Ų117.375%0.74875%0.751SS**  cis78.3106.728.983.50000114.9
73S43.9Very low44.1Very low120 Ų120116.5 Ų116.584%0.83975%0.751SS**  trans-156.280.2165.762.10000108.3
74D44Very low44.1Very low152 Ų152118.1 Ų118.181%0.81375%0.751SS**  trans-83.4-162.5169.4-61.3-83.9000109.9
75S44.2Very low44.4Very low97 Ų97118.2 Ų118.268%0.67875%0.751SS**  trans76.6107.5-177-73.10000115.6
76D42.6Very low44.5Very low147 Ų147118.2 Ų118.279%0.78675%0.751SS**  88.1129.786.3-63.9-42000110.1
77S47.5Very low44.7Very low92 Ų92121.1 Ų121.164%0.64376%0.759SS**  cis-172.7178.843.442.60000111.3
78N47.9Very low44.8Very low146 Ų146119.5 Ų119.578%0.78176%0.758SS**  trans75.5120.1173.4-39.5-65.9000114.7
79D45.5Very low45.4Very low147 Ų147119.4 Ų119.479%0.78676%0.758SS**  cis89.8146.626.2-165.646.1000116.3
80S45.3Very low45.9Very low91 Ų91121.8 Ų121.864%0.63676%0.761SS**  trans80.1139.9164.3-76.10000120.9
81S49.7Very low46.1Very low117 Ų117120 Ų12082%0.81876%0.759SS**  trans63.8125179.665.50000117
82A46.7Very low46.5Very low89 Ų89119.8 Ų119.874%0.73676%0.758SS**  cis82.5152.219.500000116.4
83S49.1Very low46.9Very low111 Ų111123.7 Ų123.778%0.77676%0.761SS**  trans66.1128.7-155.175.40000112.2
84D41.8Very low47.1Very low153 Ų153126 Ų12682%0.81876%0.756SS**  cis65101.817-164.622.4000116.1
85S46.8Very low47.5Very low114 Ų114124.4 Ų124.480%0.79776%0.757SS**  trans-167.2136.9150.831.70000110.7
86S45.5Very low47.5Very low106 Ų106125.9 Ų125.974%0.74176%0.757SS**  trans-97136.3178.654.60000111.8
87N46.3Very low47.7Very low155 Ų155126.5 Ų126.583%0.82976%0.76SS**  trans-163.5130.6154.9-93.7-46.6000107.6
88S43.8Very low47.6Very low101 Ų101127.7 Ų127.771%0.70676%0.763SS**  cis69.585.930.1-160.10000114.8
89S53.5Low47.4Very low95 Ų95126.7 Ų126.766%0.66476%0.762SS**  trans-173.2136.1136.1-90.60000114.4
90K52.7Low47.4Very low202 Ų202123.8 Ų123.888%0.87876%0.758SS**  trans24.9132.3131.4-55.8152.9-175.2167.20117.4
91G44.1Very low47.4Very low67 Ų67124.6 Ų124.669%0.69176%0.764SS**  cis141.6-162.39.100000110.8
92S51.2Low47.3Very low107 Ų107125.5 Ų125.575%0.74876%0.76SS**  trans70.6149.9-179.9-61.70000115.9
93K53.4Low47.6Very low188 Ų188125.5 Ų125.582%0.81775%0.751SS**  cis-161165.2-13.1-98.7156.3-166.1172.50105.7
94K47Very low47.8Very low170 Ų170129.2 Ų129.274%0.73975%0.753SS**  cis154.3105-22.6-178.3-173.6-173.3-1730107.3
95S52.9Low47.8Very low117 Ų117129.2 Ų129.282%0.81875%0.753SS**  trans-173.6111.4165.550.10000108.8
96N45.2Very low48.1Very low129 Ų129129.3 Ų129.369%0.6975%0.749SS**  cis85.396.232.5-78.247.8000117.2
97L46.4Very low48.1Very low160 Ų160129.8 Ų129.884%0.83875%0.752SS**  trans-165.5121.5134.1-133.956.4000105.9
98V45.8Very low47.9Very low117 Ų117131.7 Ų131.771%0.70976%0.756SS**  66.3122.958.2-178.50000109.9
99T42.4Very low48.2Very low124 Ų124138.5 Ų138.576%0.76177%0.766SS**  cis-117.7157.634.351.60000113.9
100A45.2Very low48Very low86 Ų86139.1 Ų139.171%0.71177%0.768SS**  62135.154.500000113.9
101S47Very low47.5Very low108 Ų108137.3 Ų137.376%0.75576%0.762SS**  cis-170.5-175-6.152.30000108.2
102D47.5Very low48.5Very low137 Ų137140.6 Ų140.673%0.73377%0.771SS**  cis-162.3178.43.1-145.9-26.7000112.9
103T52.5Low48.3Very low89 Ų89141.7 Ų141.755%0.54677%0.773SS.*  trans5811815457.80000124.4
104K53.3Low48Very low188 Ų188136.2 Ų136.282%0.81777%0.771SS**  57.3111.6124.9-58.4168.5-174.2171.90119
105N41.7Very low47.9Very low153 Ų153137.2 Ų137.282%0.81878%0.778SS**  106.217073.3-167.923.7000110.9
106V53.1Low47.7Very low117 Ų117136.9 Ų136.971%0.70978%0.776SS**  trans93.3109.5171.2-172.70000117.3
107S45.2Very low48.1Very low116 Ų116136.7 Ų136.781%0.81178%0.784SS**  trans73.1134.4150.3-62.10000122.5
108E43.2Very low48Very low194 Ų194133.7 Ų133.791%0.90778%0.777SS**  trans-73.8153.5168.2-54167.8109.500112.1
109R49.8Very low48.6Very low244 Ų244136.5 Ų136.592%0.92178%0.784SS**  trans-154.7146.6155.1-141.9165-174.2-95-0.1112.5
110P48.2Very low48.8Very low109 Ų109139.2 Ų139.271%0.70879%0.788SS**  trans-95.4-174-166.6-5.927.8000115.8
111H43Very low49.3Very low164 Ų164140 Ų14076%0.75979%0.788SS**  trans-34.9147.9-179.5-36.8-82.2000118.4
112P65.2Low49.5Very low135 Ų135145.1 Ų145.188%0.87780%0.797SS**  trans-83.7125.2155.433.3-29.2000111
113T46.6Very low49.9Very low130 Ų130145.4 Ų145.480%0.79880%0.803SS**  trans-127.412917252.90000111.2
114G46.2Very low49.9Very low74 Ų74144.1 Ų144.176%0.76381%0.808SS**  trans87.2104.9155.900000117.6
115Q46.1Very low49.7Very low190 Ų190143.1 Ų143.189%0.88881%0.812SS**  trans-127.6121.8135.5-69.1-179.5-15.500105.7
116S48.5Very low50.5Low110 Ų110144.8 Ų144.877%0.76981%0.812SS**  cis92.466.93086.10000115.2
117S52.9Low50.3Low125 Ų125145.7 Ų145.787%0.87482%0.818SS**  trans-152.5121.4149.153.50000110.6
118S45.3Very low50.6Low97 Ų97145.3 Ų145.368%0.67881%0.81SS**  trans-100.6129.8172.160.90000109.8
119M58.5Low50.6Low176 Ų176144.4 Ų144.487%0.86781%0.806SS**  trans-126.2114160.5-68.2-143.177.500109.9
120H46.2Very low50.6Low181 Ų181139.3 Ų139.384%0.83879%0.794SS**  trans-96.1117.4168.5-5999.5000108.1
121S55Low50.3Low103 Ų103139.2 Ų139.272%0.7280%0.796SS**  trans-136119.4170.549.40000110.4
122K52.3Low50.7Low215 Ų215140.9 Ų140.994%0.93580%0.797SS**  trans-77.6123.3175.4-62.2171-179.7174.60108.9
123V54.2Low49.8Very low143 Ų143144 Ų14487%0.86780%0.797SS**  trans-131.4122.4155.4-173.70000106
124G53.2Low49.5Very low62 Ų62143.7 Ų143.764%0.63980%0.8SS**  trans-94.6157.2-164.500000114.5K126G124-K126 PolarHBondContact O-N 3.06Å
125D49.3Very low49.7Very low168 Ų168145.7 Ų145.790%0.89880%0.802SS**  trans-52.9130.6168.5-66-68.8000111.5
126K59.3Low50.2Low188 Ų188145.7 Ų145.782%0.81780%0.802SS**  trans-126.795.4166.2-74.9-170.9177-178.10109.2G124 V128G124-K126 PolarHBondContact O-N 3.06Å; K126-V128 PolarHBondContact O-N 3.37Å
127T47.1Very low50.4Low136 Ų136146.5 Ų146.583%0.83481%0.805SS**  trans-55.7102.3165-52.60000109.4
128V53.3Low50.5Low107 Ų107144.3 Ų144.365%0.64880%0.802SS**  trans-100.4109.1169.6177.70000107.8K126 M130K126-V128 PolarHBondContact O-N 3.37Å; V128-M130 HydrophobicContact CG1-CE 4.08Å; V128-M130 HydrophobicContact CG1-CG 4.16Å; V128-M130 PolarHBondContact O-N 2.89Å
129Q42.7Very low50.6Low175 Ų175145.6 Ų145.682%0.81880%0.801SS**  trans-67128.6165-64.5-179.7-1.600108.6
130M49.4Very low50.8Low137 Ų137142.8 Ų142.868%0.67580%0.799SS**  trans-129.7122.2161.8-81.7-65.1153.100109.6V128 Y132V128-M130 HydrophobicContact CG1-CE 4.08Å; V128-M130 HydrophobicContact CG1-CG 4.16Å; V128-M130 PolarHBondContact O-N 2.89Å; M130-Y132 HydrophobicContact CB-CE2 3.83Å
131S42.2Very low51Low108 Ų108142.2 Ų142.276%0.75579%0.794SS**  trans-95.1109.6-167.754.10000111.9
132Y51.1Low50.8Low198 Ų198147.3 Ų147.378%0.77680%0.803SS**  trans-123.471.7173.7-59.4-64.4000112.4M130M130-Y132 HydrophobicContact CB-CE2 3.83Å
133K45.9Very low50.4Low201 Ų201145.8 Ų145.887%0.87480%0.797SS**  trans36.997.3142.8-162173-173.1177.40117.6
134S40.9Very low49.9Very low124 Ų124145 Ų14587%0.86779%0.792SS**  trans-60.2148.3164.1-48.30000112.7
135S50.8Low49.3Very low116 Ų116148 Ų14881%0.81180%0.798SS**  trans-138.5145.7160.756.10000109.4
136E55.9Low49Very low189 Ų189145.1 Ų145.188%0.88379%0.79SS**  trans-88151.5-153.2-53.6-179.3139.600115.7
137P53.6Low48.4Very low128 Ų128139.5 Ų139.583%0.83178%0.779SS**  trans-88.397.8160.933.9-28.9000110.7D139P137-D139 PolarHBondContact O-N 3.28Å
138G54.6Low48.3Very low78 Ų78140.5 Ų140.580%0.80478%0.779SS**  trans-77.697.1178.900000114
139D48.1Very low47.9Very low124 Ų124140.6 Ų140.666%0.66378%0.779SS**  trans-86130.7166.8-178.818000110.4P137 K141P137-D139 PolarHBondContact O-N 3.28Å; D139-K141 IonicContact OD2-NZ 3.81Å
140S62.3Low48.2Very low118 Ų118137.1 Ų137.183%0.82578%0.775SS**  trans-155.2104.9-178.5-85.10000113.9
141K49.4Very low48.4Very low169 Ų169138.9 Ų138.974%0.73578%0.778SS**  trans-83.7131.8178-60.8148.2-173.51590111.3D139D139-K141 IonicContact OD2-NZ 3.81Å
142K51.7Low48.6Very low209 Ų209139 Ų13991%0.90977%0.771SS**  trans164.6155.5152.3-89.8145.6-165.1175.10110.4
143K44.4Very low48.2Very low183 Ų183137 Ų13780%0.79677%0.769SS**  cis-175125.3-27.4-163.4-154.4178-173.70109.1
144V42Very low48Very low126 Ų126134.1 Ų134.176%0.76476%0.762SS**  trans60.6164.1174.1-128.70000113.5
145V41.4Very low48.3Very low127 Ų127133.7 Ų133.777%0.7776%0.759SS**  cis-134.7167.417.5-175.30000111.6
146S43.6Very low47.9Very low106 Ų106137.8 Ų137.874%0.74176%0.762SS**  trans-64-177.7177.2600000115.1
147A45.4Very low47.7Very low70 Ų70134.3 Ų134.358%0.57976%0.756SS**  cis-167.2154.217.600000113.7
148L46.3Very low46.9Very low158 Ų158137.2 Ų137.283%0.82776%0.759SS**  trans60.1160.8147.3-52.7169.1000118.5
149T44.8Very low46.6Very low108 Ų108137.4 Ų137.466%0.66376%0.76SS**  cis-155.1129.1-29.220.60000110.2
150S49Very low46Very low103 Ų103138.7 Ų138.772%0.7277%0.767SS**  39.3148.8127.8-41.30000124.1
151K53Low45.3Very low173 Ų173138.2 Ų138.275%0.75276%0.761SS**  trans80.2150.4157-65.7-175.3147.9-69.70116.9
152D45.9Very low44.8Very low112 Ų112139 Ų13960%0.59977%0.765SS**  cis-161.8169.5-6-108.4-11000109.8
153E42.6Very low44.4Very low156 Ų156133.7 Ų133.773%0.72975%0.754SS**  trans55.8121.2159.4-64.2-64.686.300119.6
154L43.1Very low44.2Very low140 Ų140132.4 Ų132.473%0.73376%0.756SS**  85.4103.261.6-174.272.4000115.2
155S46.4Very low44.4Very low115 Ų115131.5 Ų131.580%0.80476%0.755SS**  trans170.5162.8133.247.70000113.4
156K43.4Very low44.9Very low201 Ų201130.1 Ų130.187%0.87475%0.747SS**  trans-120160.5163.5-60.5-178177.2-176.50107.9
157P51.2Low44.9Very low117 Ų117131 Ų13176%0.7674%0.743SS**  -152.1171.796.139.2-21.7000116.8
158E36.8Very low45Very low189 Ų189135.7 Ų135.788%0.88375%0.753SS**  trans14.1130.4147-57.7-60.2112.900121.1
159G47Very low44.7Very low81 Ų81136.2 Ų136.284%0.83576%0.755SS**  trans-178.6108.5163.700000114.3
160N36.9Very low44.7Very low151 Ų151135.8 Ų135.881%0.80776%0.757SS**  trans-142.2122.6173.8-178.55.8000108.5
161P47.7Very low44.3Very low109 Ų109139.4 Ų139.471%0.70876%0.76SS**  -150.2147.1117.437.2-20.5000116.6
162K37.9Very low43.5Very low186 Ų186137.3 Ų137.381%0.80976%0.761SS**  trans50.5117.5134.1-63-179.7176.6179.10121.3
163S44.1Very low43.4Very low97 Ų97136.9 Ų136.968%0.67877%0.767SS**  trans53.5120132.664.80000121.1
164N39.8Very low43.1Very low156 Ų156136.2 Ų136.283%0.83477%0.768SS**  -168.6-178.6104.2-95.5-14.5000112.8
165S45.3Very low43.1Very low107 Ų107135.5 Ų135.575%0.74877%0.77SS**  trans-50.8167.4175.7550000114.7
166T52.7Low42.6Very low98 Ų98135.8 Ų135.860%0.60177%0.772SS**  cis-162.6154.131.8-147.20000113.9
167D43Very low42.4Very low124 Ų124129.9 Ų129.966%0.66377%0.768SS**  trans52.5169.2154.7-51.1-53.3000119.5
168H49Very low42Very low168 Ų168130.3 Ų130.378%0.77877%0.768SS**  cis-139.3163.98.2-57.7-98.3000113.3
169L40Very low42Very low169 Ų169127.8 Ų127.889%0.88577%0.766SS**  trans87.4123148.6-133.367.6000120.3
170S43.3Very low41.6Very low99 Ų99127.2 Ų127.269%0.69276%0.76SS**  trans-74.7177.7179.151.50000111.9
171K40.7Very low41.8Very low179 Ų179125 Ų12578%0.77876%0.757SS**  cis-166.2144.540.3-165.8176.8-177.7-176.70114.4
172V37.4Very low41.3Very low130 Ų130126.2 Ų126.279%0.78876%0.762SS**  trans-118.8157.6165.8-65.70000109.8
173S43Very low41.5Very low103 Ų103126 Ų12672%0.7277%0.768SS**  trans-163.5139.1168.4-66.50000110.2
174D36.1Very low41.2Very low141 Ų141126.6 Ų126.675%0.75477%0.773SS**  trans-120.4170.9-169.7-69.2-74.4000114.1
175T42.9Very low41.5Very low126 Ų126124.5 Ų124.577%0.77377%0.77SS**  trans69117.9146.844.50000123.4
176S37.7Very low41.2Very low121 Ų121124.6 Ų124.685%0.84677%0.771SS**  87.9142121.1760000123
177G37.3Very low41.1Very low76 Ų76127 Ų12778%0.78479%0.785SS**  trans91.9151167.300000116
178V42.6Very low41.1Very low127 Ų127129.6 Ų129.677%0.7779%0.794SS**  cis-166.9145.7-14630000109.9
179T37.3Very low41Very low135 Ų135129.3 Ų129.383%0.82880%0.798SS**  trans46.5137.6162.748.90000122.5
180G38.3Very low41.6Very low69 Ų69126.1 Ų126.171%0.71179%0.79SS**  trans165.394154.400000119.2
181S42.1Very low41.7Very low106 Ų106128.8 Ų128.874%0.74180%0.796SS**  trans40.8105.9144.257.40000122.9
182T37.3Very low42.2Very low133 Ų133126.9 Ų126.982%0.81679%0.794SS**  52.5134.2122.860.60000123.6
183L42.4Very low42.8Very low181 Ų181129 Ų12995%0.94879%0.793SS**  -158161.8115.2-103.3175.7000110.4
184S37.9Very low42.9Very low110 Ų110131.1 Ų131.177%0.76980%0.801SS**  trans-157138.3-172.5-176.70000114.7
185S44.7Very low43.4Very low112 Ų112128 Ų12878%0.78380%0.802SS**  trans-170130.5154.943.70000107.6
186S39.3Very low43.4Very low110 Ų110131.1 Ų131.177%0.76981%0.808SS**  cis84.298.943.2-65.50000114.9
187V51.3Low43.7Very low147 Ų147130.7 Ų130.789%0.89180%0.801SS**  trans-144.1146.1144.6-178.90000107.4
188Q42Very low44.3Very low180 Ų180133.1 Ų133.184%0.84181%0.805SS**  trans-125.2157.3174.4-63.4172.8-104.800109.6
189D46.7Very low44.5Very low161 Ų161135.9 Ų135.986%0.86181%0.807SS**  trans149151.5155.5-85.7-11.3000110.2
190S53.5Low45Very low103 Ų103137.6 Ų137.672%0.7281%0.811SS**  cis-162.1172.6-17.146.30000109.7
191D45.5Very low45.4Very low155 Ų155143.2 Ų143.283%0.82982%0.816SS**  trans-71.2163.3-174.3-50.6-99.1000115.2
192D50.5Low45.6Very low138 Ų138145.2 Ų145.274%0.73882%0.819SS**  -177.7156.6109.6-149.1-1.2000115.5
193K51.6Low46.2Very low175 Ų175149.1 Ų149.176%0.76182%0.818SS**  trans79.3160.6147.7-96.4168.8-171.2170.40125.4
194V44.7Very low46.6Very low147 Ų147145.5 Ų145.589%0.89180%0.8SS**  trans-146.6161-158.6-66.50000112.7
195G45.9Very low47.6Very low75 Ų75148.3 Ų148.377%0.77380%0.798SS**  trans130.4149.4173.700000112.5
196E43.6Very low47.8Very low192 Ų192149.1 Ų149.190%0.89780%0.799SS**  cis-149.7-178.4-8.5-148.6-166.7113.800110.1
197T42.4Very low48.3Very low113 Ų113147.7 Ų147.769%0.69379%0.789SS**  trans-86.1154.7-168.971.10000114.8
198S50.3Low48.5Very low126 Ų126149.3 Ų149.388%0.88179%0.786SS**  trans-153.1139142.5-91.10000112.5
199K46.9Very low48.7Very low186 Ų186146.7 Ų146.781%0.80978%0.778SS**  trans-96.2151.4178.7-64.6158.9-177.4156.50109.4
200N48Very low48.9Very low171 Ų171147 Ų14791%0.91478%0.778SS**  trans-147.5144.5138.2-116.3-33.5000111.8
201K47.5Very low48.7Very low186 Ų186147.4 Ų147.481%0.80978%0.776SS**  trans-134.6128.9-177.7-73.4-175.8177.5-177.70109.9
202N46.1Very low49Very low149 Ų149145 Ų14580%0.79777%0.771SS**  trans-151.8132.4149.1-92.7-31.1000105.8
203R50.1Low49Very low215 Ų215146.9 Ų146.981%0.81177%0.773SS**  61126.755.7-66.5-177.4169.8164.6-5.1110.5
204D49.4Very low48.5Very low104 Ų104144.8 Ų144.856%0.55678%0.777SS**  cis-154163.819.3-113.3-14000111.8
205K59.7Low48.3Very low169 Ų169144.2 Ų144.274%0.73577%0.769SS**  trans42.5133.2143.7-54.7156.1-173147.30118.3
206T48.2Very low48.1Very low130 Ų130150.2 Ų150.280%0.79877%0.774SS**  cis-161.4157.944.3-44.50000111.6
207S50.8Low48.1Very low80 Ų80148 Ų14856%0.55976%0.763SS**  trans-64.7158.9172.339.80000113.2
208H55.1Low48Very low180 Ų180149.8 Ų149.883%0.83377%0.769SS**  -160.8158.265.5-87-81.7000115.9
209N45.5Very low47.7Very low126 Ų126149.4 Ų149.467%0.67476%0.757SS**  trans-79.3144-176.9175.920.3000113.4
210I52.5Low47.4Very low168 Ų168145.4 Ų145.486%0.86276%0.759SS**  trans-149.5134.6139.1-100.1151000108.9
211V48.7Very low47.5Very low111 Ų111144.7 Ų144.767%0.67375%0.75SS**  trans-90.2134.8-173.8170.50000112
212S52.1Low47.2Very low105 Ų105145.3 Ų145.373%0.73475%0.752SS**  trans-169.4118.1141.2-89.20000115.4
213K51Low47.1Very low177 Ų177143.7 Ų143.777%0.7775%0.753SS**  trans55.2109.4143.1-56.7-177.2-178.2-177.50120N215K213-N215 PolarHBondContact O-N 2.71Å
214P39.3Very low47.2Very low131 Ų131141 Ų14185%0.85175%0.754SS**  trans-83.699.6162.333.2-29.9000110.9K216P214-K216 PolarHBondContact O-N 2.67Å
215N40.6Very low46.9Very low135 Ų135140.9 Ų140.972%0.72276%0.759SS**  trans-85.5102.9179.9-137.666.8000111.5K213K213-N215 PolarHBondContact O-N 2.71Å
216K41.9Very low45.9Very low200 Ų200138.7 Ų138.787%0.8776%0.755SS**  trans-107.866-174.8-172.8-162.5174.6-177.20110.7P214P214-K216 PolarHBondContact O-N 2.67Å
217E43.7Very low45.8Very low145 Ų145139.1 Ų139.168%0.67875%0.752SS**  trans-134.1117-175.8-85.6173.1-175.600113.6
218N40.5Very low45.7Very low152 Ų152142.7 Ų142.781%0.81377%0.765SS**  trans46.494131.9-51.3-22.3000118
219N43.8Very low45.4Very low118 Ų118137.6 Ų137.663%0.63175%0.754SS**  trans-119101.6143.5-163.7-14.3000110.6E221N219-E221 PolarHBondContact ND2-OE1 2.68Å; N219-E221 WeakPolarHBondContact OD1-CB 3.46Å; N219-E221 WeakPolarHBondContact OD1-CG 3.24Å; N219-E221 PolarHBondContact OD1-N 3.21Å; N219-E221 PolarHBondContact OD1-OE1 2.89Å
220A41.4Very low45.5Very low102 Ų102136.2 Ų136.284%0.84376%0.76SS**  trans-99.951.7177.300000110.8
221E50.4Low45.3Very low155 Ų155131.7 Ų131.772%0.72474%0.743SS**  trans-72.1128.7-177.8-101168.6-131.200112.6N219 S223N219-E221 PolarHBondContact ND2-OE1 2.68Å; N219-E221 WeakPolarHBondContact OD1-CB 3.46Å; N219-E221 WeakPolarHBondContact OD1-CG 3.24Å; N219-E221 PolarHBondContact OD1-N 3.21Å; N219-E221 PolarHBondContact OD1-OE1 2.89Å; E221-S223 PolarHBondContact O-N 2.92Å; E221-S223 VanDerWaalsContact O-N 3.13Å
222K41.3Very low45.6Very low199 Ų199129.5 Ų129.587%0.86573%0.728SS**  trans-86.486.7-165.1-170.2174.1-176.8174.20111.1L224K222-L224 PolarHBondContact O-N 3.14Å
223S42.6Very low46Very low115 Ų115130.2 Ų130.280%0.80473%0.733SS**  trans-56.5131-177.554.30000113.4E221E221-S223 PolarHBondContact O-N 2.92Å; E221-S223 VanDerWaalsContact O-N 3.13Å
224L51.7Low47.2Very low159 Ų159131.3 Ų131.383%0.83273%0.732SS**  trans-75143.5173.4-63.5169.5000110.1K222 N226K222-L224 PolarHBondContact O-N 3.14Å; L224-N226 PolarHBondContact O-N 3.38Å
225P43.7Very low49.5Very low102 Ų102126.5 Ų126.566%0.66270%0.698SS**  trans-74.389.8-17730-35.4000112.1N227P225-N227 VanDerWaalsContact C-N 3.33Å; P225-N227 PolarHBondContact O-N 3.21Å
226N39Very low51.9Low123 Ų123121.3 Ų121.366%0.65867%0.671SS**  trans-77.782.9170-172.220.2000110.1L224 N228 A229L224-N226 PolarHBondContact O-N 3.38Å; N226-N228 PolarHBondContact O-N 3.12Å; N226-A229 PolarHBondContact O-N 2.82Å
227N45.2Very low54.4Low138 Ų138114.9 Ų114.974%0.73864%0.642SS**THydrogen-bonded Turntrans-6625.3-166.2-72.6-28.1000117.3P225P225-N227 VanDerWaalsContact C-N 3.33Å; P225-N227 PolarHBondContact O-N 3.21Å
228N50.6Low56.8Low156 Ų156108 Ų10883%0.83461%0.609SS**THydrogen-bonded Turntrans-140.822.3178.8-69.4-64.3000113.6N226N226-N228 PolarHBondContact O-N 3.12Å
229A47.9Very low59.5Low73 Ų73102 Ų10260%0.60358%0.577SS**SBendtrans-154.723.6-172.600000115.7N226 S231N226-A229 PolarHBondContact O-N 2.82Å; A229-S231 CarbonylContact C-O 3.52Å
230A47.4Very low62Low97 Ų9796.4 Ų96.480%0.80255%0.547SS*.SBendtrans-134.2-26.8-173.100000115
231S48.9Very low64.7Low72 Ų7294.5 Ų94.550%0.50352%0.521SS..SBendtrans-77.7149.1136.569.80000106.5A229A229-S231 CarbonylContact C-O 3.52Å
232D54.4Low66.8Low66 Ų6691 Ų9135%0.35350%0.503SS..  cis-134.62636.2-51.8-51.9000114.3R234 F235 E284D232-R234 PolarHBondContact O-N 3.42Å; D232-F235 HydrophobicContact CB-CD2 4.11Å; D232-F235 PolarHBondContact O-N 3.4Å; D232-E284 WeakPolarHBondContact CB-OE1 3.43Å
233S60.5Low69.4Low119 Ų11981.9 Ų81.983%0.83246%0.464SS*.THydrogen-bonded Turntrans-62.75-174.2-168.30000116.6
234R76.9Confident71.9Confident200 Ų20077.1 Ų77.176%0.75543%0.43SS*.THydrogen-bonded Turntrans-98.5-18.3169.4-60.7-175.6-59.4179.63.2112.8D232D232-R234 PolarHBondContact O-N 3.42Å
235F86.2Confident73.9Confident30 Ų3075.5 Ų75.513%0.13242%0.416CS..SBendtrans-108.7148.4-171.8-54.4-43000109.9D232 H263 E284 Y285D232-F235 HydrophobicContact CB-CD2 4.11Å; D232-F235 PolarHBondContact O-N 3.4Å; F235-H263 HydrophobicContact CD1-CB 4.46Å; F235-H263 HydrophobicContact CD2-CB 4.44Å; F235-H263 AromaticContact CD2-CD2 3.51Å; F235-H263 AromaticContact CD2-CG 3.93Å; F235-H263 HydrophobicContact CE1-CB 4.5Å; F235-H263 AromaticContact CE2-CD2 3.23Å; F235-H263 WeakPolarHBondContact CE2-CD2 3.14Å; F235-H263 AromaticContact CE2-CE1 3.71Å; F235-H263 AromaticContact CE2-CG 3.62Å; F235-H263 AromaticContact CE2-ND1 3.89Å; F235-H263 AromaticContact CE2-NE2 3.31Å; F235-H263 VanDerWaalsContact CE2-NE2 3.31Å; F235-H263 WeakPolarHBondContact CE2-NE2 3.36Å; F235-H263 HydrophobicContact CG-CB 4.42Å; F235-H263 AromaticContact CZ-CD2 3.83Å; F235-H263 AromaticContact CZ-CE1 3.71Å; F235-H263 AromaticContact CZ-CG 3.74Å; F235-H263 AromaticContact CZ-ND1 3.66Å; F235-H263 AromaticContact CZ-NE2 3.81Å; F235-E284 HydrophobicContact CB-CG 3.64Å; F235-E284 HydrophobicContact CD2-CG 4.47Å; F235-E284 HydrophobicContact CG-CG 4.34Å; F235-Y285 VanDerWaalsContact CA-O 3.28Å; F235-Y285 WeakPolarHBondContact CA-O 3.24Å; F235-Y285 WeakPolarHBondContact CB-O 3.44Å
236T91.5Very high76.2Confident27 Ų2775.5 Ų75.517%0.16641%0.411CS..EExtended strand (participates in β ladder)trans-108.2118.2-179.3-59.50000110Y285 S288 A291T236-Y285 PolarHBondContact N-O 2.94Å; T236-Y285 PolarHBondContact O-N 3.34Å; T236-S288 VanDerWaalsContact OG1-CA 3.23Å; T236-S288 WeakPolarHBondContact OG1-CA 3.11Å; T236-S288 VanDerWaalsContact OG1-CB 3.26Å; T236-S288 WeakPolarHBondContact OG1-CB 3.25Å; T236-S288 PolarHBondContact OG1-OG 3.02Å; T236-A291 HydrophobicContact CG2-CB 3.8Å
237R94.3Very high78.8Confident65 Ų6569.9 Ų69.925%0.24538%0.38CS..EExtended strand (participates in β ladder)trans-92.1130.7-176.3-169.1171.9178.3131.60.2110.7D266 Y282 V283 V313R237-D266 IonicContact CZ-OD2 3.15Å; R237-D266 IonicContact NH2-OD2 2.71Å; R237-D266 PolarHBondContact NH2-OD2 3.03Å; R237-Y282 HydrophobicContact CG-CD1 4.33Å; R237-V283 CarbonylContact C-O 3.58Å; R237-V283 WeakPolarHBondContact CA-O 3.46Å; R237-V313 WeakPolarHBondContact O-CA 3.28Å; R237-V313 PolarHBondContact O-N 2.76Å
238V95.7Very high81.1Confident0 Ų066.1 Ų66.10%036%0.363CS..EExtended strand (participates in β ladder)trans-111.9133.5177177.60000108.8I240 Y282 V283 Y285 A291 V295 V310 S311V238-I240 HydrophobicContact CG1-CG1 4.46Å; V238-Y282 CarbonylContact O-C 3.57Å; V238-Y282 WeakPolarHBondContact O-CA 3.21Å; V238-V283 PolarHBondContact N-O 2.82Å; V238-V283 PolarHBondContact O-N 3.41Å; V238-Y285 HydrophobicContact CG2-CD2 4.1Å; V238-Y285 HydrophobicContact CG2-CE2 4.06Å; V238-A291 HydrophobicContact CG2-CB 3.21Å; V238-V295 HydrophobicContact CG1-CG2 3.88Å; V238-V295 HydrophobicContact CG2-CG2 3.96Å; V238-V310 HydrophobicContact CG1-CG1 3.3Å; V238-S311 CarbonylContact C-O 3.56Å; V238-S311 WeakPolarHBondContact CA-O 3.25Å
239L96.5Very high83.2Confident27 Ų2763.5 Ų63.514%0.14134%0.344CS..EExtended strand (participates in β ladder)trans-94.9128.5167.6165.566000109.3E241 Y280 Y282 V310 S311 V313L239-E241 HydrophobicContact CD1-CG 4.04Å; L239-E241 HydrophobicContact CD2-CG 3.94Å; L239-E241 HydrophobicContact CG-CG 3.8Å; L239-Y280 HydrophobicContact CD1-CD2 4.11Å; L239-Y282 HydrophobicContact CB-CD1 4.01Å; L239-Y282 HydrophobicContact CB-CE1 4.03Å; L239-Y282 HydrophobicContact CD1-CD1 4.11Å; L239-Y282 HydrophobicContact CD1-CE1 3.75Å; L239-Y282 HydrophobicContact CG-CE1 4.38Å; L239-V310 WeakPolarHBondContact O-CA 3.25Å; L239-S311 PolarHBondContact N-O 2.95Å; L239-S311 PolarHBondContact O-N 3.04Å; L239-S311 PolarHBondContact O-OG 2.92Å; L239-V313 HydrophobicContact CB-CG2 3.35Å; L239-V313 HydrophobicContact CD2-CG2 4.36Å; L239-V313 HydrophobicContact CG-CG2 4.49Å
240I96.9Very high85.5Confident0 Ų063.9 Ų63.90%034%0.339CS..EExtended strand (participates in β ladder)trans-108.9123.6170.7-50.2157.3000107.7V238 L243 I252 F256 Y280 G281 V283 V308 R309 V310V238-I240 HydrophobicContact CG1-CG1 4.46Å; I240-L243 HydrophobicContact CB-CD2 4.49Å; I240-L243 HydrophobicContact CG2-CD2 3.57Å; I240-L243 HydrophobicContact CG2-CG 4.12Å; I240-I252 HydrophobicContact CD1-CG2 3.86Å; I240-F256 HydrophobicContact CD1-CD1 4.19Å; I240-F256 HydrophobicContact CD1-CD2 3.79Å; I240-F256 HydrophobicContact CD1-CE1 3.84Å; I240-F256 HydrophobicContact CD1-CE2 3.39Å; I240-F256 HydrophobicContact CD1-CG 4.18Å; I240-F256 HydrophobicContact CD1-CZ 3.43Å; I240-F256 VanDerWaalsContact CD1-CZ 3.43Å; I240-F256 HydrophobicContact CG1-CE1 4Å; I240-F256 HydrophobicContact CG1-CE2 4.16Å; I240-F256 HydrophobicContact CG1-CZ 3.69Å; I240-F256 HydrophobicContact CG2-CZ 4.27Å; I240-Y280 CarbonylContact O-C 3.57Å; I240-Y280 WeakPolarHBondContact O-CA 3.46Å; I240-Y280 WeakPolarHBondContact O-CB 3.25Å; I240-G281 PolarHBondContact N-O 3.44Å; I240-G281 PolarHBondContact O-N 2.78Å; I240-V283 HydrophobicContact CD1-CG2 3.6Å; I240-V308 HydrophobicContact CG2-CB 4.19Å; I240-V308 HydrophobicContact CG2-CG1 4.43Å; I240-R309 CarbonylContact C-O 3.56Å; I240-R309 WeakPolarHBondContact CA-O 3.38Å; I240-V310 HydrophobicContact CG2-CG2 4.31Å
241E96.6Very high87.8Confident61 Ų6163.1 Ų63.129%0.28532%0.318SS..EExtended strand (participates in β ladder)trans-116.7166.5176.5-51.3-176.6110.500111.8L239 L243 V308 R309L239-E241 HydrophobicContact CD1-CG 4.04Å; L239-E241 HydrophobicContact CD2-CG 3.94Å; L239-E241 HydrophobicContact CG-CG 3.8Å; E241-L243 VanDerWaalsContact C-N 3.33Å; E241-V308 WeakPolarHBondContact O-CA 3.46Å; E241-R309 HydrophobicContact CB-CB 4.3Å; E241-R309 PolarHBondContact N-O 3.07Å; E241-R309 PolarHBondContact O-N 3.19Å; E241-R309 IonicContact OE1-NH2 2.79Å; E241-R309 IonicContact OE2-CZ 3.34Å; E241-R309 IonicContact OE2-NE 3.97Å; E241-R309 PolarHBondContact OE2-NE 2.83Å; E241-R309 IonicContact OE2-NH2 3.67Å; E241-R309 PolarHBondContact OE2-NH2 2.77Å
242K96Very high90Very high83 Ų8359.7 Ų59.736%0.36129%0.294SS..SBendtrans57.941.7-174.2-52.2176.3174.5-179.50112.2G279 Q306 E307 R309K242-G279 PolarHBondContact N-O 2.86Å; K242-Q306 VanDerWaalsContact C-NE2 3.31Å; K242-Q306 PolarHBondContact O-NE2 2.91Å; K242-E307 VanDerWaalsContact CB-O 3.3Å; K242-E307 WeakPolarHBondContact CB-O 3.22Å; K242-E307 WeakPolarHBondContact CD-O 3.48Å; K242-E307 IonicContact NZ-OE2 2.68Å; K242-R309 HydrophobicContact CD-CG 4.13Å
243L95.9Very high92Very high7 Ų761.3 Ų61.34%0.03730%0.3CS..  trans-69.6145.2166.2-62.6176.9000110.2I240 E241 I247 I252 L267 G279 Q306 V308I240-L243 HydrophobicContact CB-CD2 4.49Å; I240-L243 HydrophobicContact CG2-CD2 3.57Å; I240-L243 HydrophobicContact CG2-CG 4.12Å; E241-L243 VanDerWaalsContact C-N 3.33Å; L243-I247 HydrophobicContact CB-CD1 4.12Å; L243-I247 HydrophobicContact CD2-CD1 3.83Å; L243-I247 HydrophobicContact CD2-CG2 4.29Å; L243-I252 HydrophobicContact CD1-CD1 3.76Å; L243-L267 HydrophobicContact CD1-CD1 3.72Å; L243-G279 PolarHBondContact N-O 3.26Å; L243-Q306 PolarHBondContact O-NE2 3.44Å; L243-V308 HydrophobicContact CD2-CG1 4.07Å
244T94.8Very high93.8Very high15 Ų1561.2 Ų61.29%0.09229%0.286CS..  trans-69.9158.1163.576.60000109.7N246 I247 N277 D304 Q306T244-N246 PolarHBondContact O-N 3.46Å; T244-N246 PolarHBondContact OG1-N 2.77Å; T244-I247 HydrophobicContact CG2-CD1 4.47Å; T244-I247 PolarHBondContact O-N 2.66Å; T244-I247 WeakPolarHBondContact OG1-CG1 3.31Å; T244-N277 PolarHBondContact O-ND2 3.26Å; T244-N277 PolarHBondContact O-OD1 3.16Å; T244-D304 VanDerWaalsContact CB-OD2 3.31Å; T244-D304 WeakPolarHBondContact CB-OD2 3.28Å; T244-D304 HydrophobicContact CG2-CB 3.73Å; T244-D304 WeakPolarHBondContact CG2-OD2 3.47Å; T244-D304 PolarHBondContact OG1-OD2 2.83Å; T244-Q306 HydrophobicContact CG2-CB 3.53Å; T244-Q306 HydrophobicContact CG2-CG 4.36Å
245K92.7Very high94.6Very high124 Ų12454.2 Ų54.254%0.53926%0.263SS..THydrogen-bonded Turntrans-64.8-21.2179.7-69.6-172179-173.70114.3F276K245-F276 HydrophobicContact CB-CB 4.05Å; K245-F276 HydrophobicContact CB-CD1 4.13Å; K245-F276 HydrophobicContact CB-CG 4.08Å; K245-F276 HydrophobicContact CD-CB 4.41Å; K245-F276 HydrophobicContact CD-CD2 4.34Å; K245-F276 HydrophobicContact CD-CG 4.35Å; K245-F276 HydrophobicContact CG-CB 4.4Å
246N91.7Very high95.1Very high103 Ų10352.8 Ų52.855%0.55126%0.257SS*.THydrogen-bonded Turntrans-82.7-16.8-175.2-53.3-22.7000112.7T244 T248 D304T244-N246 PolarHBondContact O-N 3.46Å; T244-N246 PolarHBondContact OG1-N 2.77Å; N246-T248 PolarHBondContact O-N 2.82Å; N246-D304 PolarHBondContact ND2-OD2 2.96Å
247I94.5Very high95.3Very high4 Ų454.6 Ų54.62%0.02127%0.27CS..  trans-69.1117-177.5-70.4164.5000109.7L243 T244 H251 I252 L267 N277 I303 D304L243-I247 HydrophobicContact CB-CD1 4.12Å; L243-I247 HydrophobicContact CD2-CD1 3.83Å; L243-I247 HydrophobicContact CD2-CG2 4.29Å; T244-I247 HydrophobicContact CG2-CD1 4.47Å; T244-I247 PolarHBondContact O-N 2.66Å; T244-I247 WeakPolarHBondContact OG1-CG1 3.31Å; I247-H251 HydrophobicContact CG2-CB 4.4Å; I247-I252 HydrophobicContact CG2-CD1 3.94Å; I247-I252 HydrophobicContact CG2-CG1 3.47Å; I247-I252 VanDerWaalsContact CG2-CG1 3.47Å; I247-L267 WeakPolarHBondContact O-CD2 3.41Å; I247-N277 PolarHBondContact O-ND2 3.4Å; I247-I303 HydrophobicContact CD1-CB 4Å; I247-I303 HydrophobicContact CD1-CG2 3.46Å; I247-I303 VanDerWaalsContact CD1-CG2 3.46Å; I247-I303 HydrophobicContact CG1-CG2 4.04Å; I247-D304 HydrophobicContact CD1-CB 4.21Å; I247-D304 HydrophobicContact CG1-CB 4.17Å
248T94.4Very high95.4Very high59 Ų5956.8 Ų56.836%0.36229%0.291SS..  trans-89.6168176.6710000111N246 V250 H251 I252N246-T248 PolarHBondContact O-N 2.82Å; T248-V250 PolarHBondContact O-N 3.1Å; T248-V250 PolarHBondContact OG1-N 3.46Å; T248-H251 PolarHBondContact O-N 3.18Å; T248-H251 PolarHBondContact OG1-CD2 3.22Å; T248-H251 PolarHBondContact OG1-N 3.19Å; T248-H251 PolarHBondContact OG1-NE2 3.2Å; T248-I252 PolarHBondContact O-N 3.36Å
249K94.4Very high95.4Very high101 Ų10159.2 Ų59.244%0.43930%0.3SS..Hα-helixtrans-56.8-33.3170.8169.6165171.6154.90112.2I252 Q253 V265 L267K249-I252 PolarHBondContact O-N 3.44Å; K249-Q253 WeakPolarHBondContact O-CB 3.34Å; K249-Q253 PolarHBondContact O-N 2.98Å; K249-V265 HydrophobicContact CD-CB 4.18Å; K249-V265 HydrophobicContact CD-CG1 4.5Å; K249-V265 WeakPolarHBondContact CE-O 3.01Å; K249-V265 HydrophobicContact CG-CB 4.08Å; K249-V265 HydrophobicContact CG-CG1 4.07Å; K249-V265 PolarHBondContact NZ-O 2.98Å; K249-L267 HydrophobicContact CB-CD2 4.47Å
250V95.2Very high95.3Very high82 Ų8259 Ų5950%0.49730%0.304SS..Hα-helixtrans-65.2-49.7179.2-176.30000110.2T248 I252 Q253 E254T248-V250 PolarHBondContact O-N 3.1Å; T248-V250 PolarHBondContact OG1-N 3.46Å; V250-I252 VanDerWaalsContact C-N 3.28Å; V250-I252 PolarHBondContact O-N 3.44Å; V250-Q253 PolarHBondContact O-N 3.34Å; V250-E254 HydrophobicContact CG1-CG 4.32Å; V250-E254 WeakPolarHBondContact CG1-OE1 3.26Å; V250-E254 WeakPolarHBondContact O-CG 3.34Å; V250-E254 PolarHBondContact O-N 2.92Å
251H95.5Very high95.3Very high80 Ų8065.6 Ų65.637%0.3734%0.335SS..Hα-helixtrans-61.4-37.8-179.9-50.3167.2000111.7I247 T248 I255I247-H251 HydrophobicContact CG2-CB 4.4Å; T248-H251 PolarHBondContact O-N 3.18Å; T248-H251 PolarHBondContact OG1-CD2 3.22Å; T248-H251 PolarHBondContact OG1-N 3.19Å; T248-H251 PolarHBondContact OG1-NE2 3.2Å; H251-I255 WeakPolarHBondContact O-CB 3.23Å; H251-I255 WeakPolarHBondContact O-CD1 3.43Å; H251-I255 WeakPolarHBondContact O-CG1 3.39Å; H251-I255 PolarHBondContact O-N 2.75Å
252I96.3Very high95.2Very high1 Ų164 Ų641%0.00533%0.329CS..Hα-helixtrans-64.5-46.9174.5-62.1178.3000110.4I240 L243 I247 T248 K249 V250 E254 I255 F256 V265 L267 V283I240-I252 HydrophobicContact CD1-CG2 3.86Å; L243-I252 HydrophobicContact CD1-CD1 3.76Å; I247-I252 HydrophobicContact CG2-CD1 3.94Å; I247-I252 HydrophobicContact CG2-CG1 3.47Å; I247-I252 VanDerWaalsContact CG2-CG1 3.47Å; T248-I252 PolarHBondContact O-N 3.36Å; K249-I252 PolarHBondContact O-N 3.44Å; V250-I252 VanDerWaalsContact C-N 3.28Å; V250-I252 PolarHBondContact O-N 3.44Å; I252-E254 PolarHBondContact O-N 2.97Å; I252-I255 PolarHBondContact O-N 2.9Å; I252-F256 HydrophobicContact CG2-CD2 3.93Å; I252-F256 VanDerWaalsContact O-CB 3.31Å; I252-F256 WeakPolarHBondContact O-CB 3.38Å; I252-F256 WeakPolarHBondContact O-CD2 3.34Å; I252-F256 PolarHBondContact O-N 3.03Å; I252-V265 HydrophobicContact CB-CG1 4.19Å; I252-V265 HydrophobicContact CG2-CG1 3.8Å; I252-L267 HydrophobicContact CD1-CB 4.46Å; I252-L267 HydrophobicContact CD1-CD1 3.6Å; I252-L267 HydrophobicContact CD1-CD2 3.81Å; I252-L267 HydrophobicContact CD1-CG 4.16Å; I252-V283 HydrophobicContact CG2-CG2 3.37Å
253Q96.5Very high95.2Very high100 Ų10064.8 Ų64.847%0.46733%0.333SS..Hα-helixtrans-61.8-43.3179.8-174.7173.5-15.200111.8K249 V250 S257 I262 V265K249-Q253 WeakPolarHBondContact O-CB 3.34Å; K249-Q253 PolarHBondContact O-N 2.98Å; V250-Q253 PolarHBondContact O-N 3.34Å; Q253-S257 WeakPolarHBondContact O-CB 3.16Å; Q253-S257 PolarHBondContact O-N 3.5Å; Q253-S257 PolarHBondContact O-OG 2.85Å; Q253-I262 HydrophobicContact CG-CD1 4.41Å; Q253-V265 HydrophobicContact CB-CG2 4.28Å
254E96.5Very high95.1Very high117 Ų11766.3 Ų66.355%0.54734%0.344SS..Hα-helixtrans-60.7-55.1176.2-71166.416000111.1V250 I252 F256 S257V250-E254 HydrophobicContact CG1-CG 4.32Å; V250-E254 WeakPolarHBondContact CG1-OE1 3.26Å; V250-E254 WeakPolarHBondContact O-CG 3.34Å; V250-E254 PolarHBondContact O-N 2.92Å; I252-E254 PolarHBondContact O-N 2.97Å; E254-F256 PolarHBondContact O-N 3.2Å; E254-S257 PolarHBondContact O-N 3.25Å; E254-S257 PolarHBondContact O-OG 3.13Å
255I95.7Very high95.1Very high52 Ų5266 Ų6627%0.26734%0.342SS..Hα-helixtrans-62.3-47.9-177.2-67.5166.6000111H251 I252 S257 V258 W259 M298 I303H251-I255 WeakPolarHBondContact O-CB 3.23Å; H251-I255 WeakPolarHBondContact O-CD1 3.43Å; H251-I255 WeakPolarHBondContact O-CG1 3.39Å; H251-I255 PolarHBondContact O-N 2.75Å; I252-I255 PolarHBondContact O-N 2.9Å; I255-S257 VanDerWaalsContact C-N 3.34Å; I255-S257 PolarHBondContact O-N 3.21Å; I255-V258 WeakPolarHBondContact O-CG2 3.49Å; I255-W259 HydrophobicContact CG2-CH2 4.38Å; I255-W259 HydrophobicContact CG2-CZ3 4.24Å; I255-W259 WeakPolarHBondContact O-CZ3 3.43Å; I255-M298 HydrophobicContact CG2-CE 3.91Å; I255-I303 HydrophobicContact CD1-CD1 4.14Å; I255-I303 HydrophobicContact CD1-CG1 4.33Å; I255-I303 HydrophobicContact CD1-CG2 3.51Å; I255-I303 HydrophobicContact CG2-CD1 4.23Å
256F96.3Very high95.2Very high0 Ų063.1 Ų63.10%033%0.333CS..Hα-helixtrans-80-13.3-173.5-76.7-94.2000113.9I240 I252 E254 V258 W259 I262 V283 Y285 A294 M298 I303 V310I240-F256 HydrophobicContact CD1-CD1 4.19Å; I240-F256 HydrophobicContact CD1-CD2 3.79Å; I240-F256 HydrophobicContact CD1-CE1 3.84Å; I240-F256 HydrophobicContact CD1-CE2 3.39Å; I240-F256 HydrophobicContact CD1-CG 4.18Å; I240-F256 HydrophobicContact CD1-CZ 3.43Å; I240-F256 VanDerWaalsContact CD1-CZ 3.43Å; I240-F256 HydrophobicContact CG1-CE1 4Å; I240-F256 HydrophobicContact CG1-CE2 4.16Å; I240-F256 HydrophobicContact CG1-CZ 3.69Å; I240-F256 HydrophobicContact CG2-CZ 4.27Å; I252-F256 HydrophobicContact CG2-CD2 3.93Å; I252-F256 VanDerWaalsContact O-CB 3.31Å; I252-F256 WeakPolarHBondContact O-CB 3.38Å; I252-F256 WeakPolarHBondContact O-CD2 3.34Å; I252-F256 PolarHBondContact O-N 3.03Å; E254-F256 PolarHBondContact O-N 3.2Å; F256-V258 PolarHBondContact O-N 2.77Å; F256-W259 HydrophobicContact CD1-CE3 4.11Å; F256-W259 HydrophobicContact CD1-CZ3 4.05Å; F256-W259 HydrophobicContact CE1-CZ3 4.4Å; F256-W259 HydrophobicContact CG-CZ3 4.26Å; F256-I262 HydrophobicContact CB-CD1 3.83Å; F256-V283 HydrophobicContact CB-CG1 4.25Å; F256-V283 HydrophobicContact CB-CG2 4.17Å; F256-V283 HydrophobicContact CG-CG2 4.16Å; F256-Y285 WeakPolarHBondContact CB-OH 3.35Å; F256-Y285 WeakPolarHBondContact CD1-OH 3.39Å; F256-Y285 WeakPolarHBondContact O-CE1 3.22Å; F256-Y285 PolarHBondContact O-OH 3.34Å; F256-A294 HydrophobicContact CD1-CB 4.45Å; F256-M298 HydrophobicContact CE1-CB 4.16Å; F256-M298 HydrophobicContact CE1-CG 4.22Å; F256-M298 HydrophobicContact CE2-CE 4.49Å; F256-M298 HydrophobicContact CZ-CB 4.25Å; F256-M298 HydrophobicContact CZ-CE 4.23Å; F256-M298 HydrophobicContact CZ-CG 4.32Å; F256-I303 HydrophobicContact CE2-CD1 3.81Å; F256-I303 HydrophobicContact CZ-CD1 4.34Å; F256-V310 HydrophobicContact CE1-CG1 4.19Å; F256-V310 HydrophobicContact CE1-CG2 4.34Å; F256-V310 HydrophobicContact CZ-CG2 4.18Å
257S96Very high95.3Very high65 Ų6559.7 Ų59.746%0.45531%0.314SS..G310 helixtrans-64-20.9173.968.80000113.9Q253 E254 I255 W259 G260Q253-S257 WeakPolarHBondContact O-CB 3.16Å; Q253-S257 PolarHBondContact O-N 3.5Å; Q253-S257 PolarHBondContact O-OG 2.85Å; E254-S257 PolarHBondContact O-N 3.25Å; E254-S257 PolarHBondContact O-OG 3.13Å; I255-S257 VanDerWaalsContact C-N 3.34Å; I255-S257 PolarHBondContact O-N 3.21Å; S257-W259 PolarHBondContact O-N 3.32Å; S257-G260 PolarHBondContact O-N 3.33Å
258V96.1Very high95.3Very high111 Ų11160.6 Ų60.667%0.67332%0.32SS*.G310 helixtrans-61.2-28.3-177.5179.10000112.9I255 F256I255-V258 WeakPolarHBondContact O-CG2 3.49Å; F256-V258 PolarHBondContact O-N 2.77Å
259W95.2Very high95.2Very high51 Ų5161.4 Ų61.419%0.19333%0.327CS..G310 helixtrans-95.2-10.5-179.6-60.5-75.8000114.3I255 F256 S257 S290 A294 F297 M298I255-W259 HydrophobicContact CG2-CH2 4.38Å; I255-W259 HydrophobicContact CG2-CZ3 4.24Å; I255-W259 WeakPolarHBondContact O-CZ3 3.43Å; F256-W259 HydrophobicContact CD1-CE3 4.11Å; F256-W259 HydrophobicContact CD1-CZ3 4.05Å; F256-W259 HydrophobicContact CE1-CZ3 4.4Å; F256-W259 HydrophobicContact CG-CZ3 4.26Å; S257-W259 PolarHBondContact O-N 3.32Å; W259-S290 WeakPolarHBondContact O-CB 3.46Å; W259-S290 PolarHBondContact O-OG 3.1Å; W259-A294 HydrophobicContact CB-CB 3.77Å; W259-A294 HydrophobicContact CD2-CB 3.93Å; W259-A294 HydrophobicContact CE3-CB 3.93Å; W259-A294 HydrophobicContact CG-CB 3.81Å; W259-F297 AromaticContact CD1-CD2 3.83Å; W259-F297 HydrophobicContact CZ2-CB 4.32Å; W259-F297 AromaticContact NE1-CD2 3.57Å; W259-F297 AromaticContact NE1-CG 3.89Å; W259-M298 HydrophobicContact CE3-CG 4.24Å; W259-M298 HydrophobicContact CH2-CE 4.39Å; W259-M298 HydrophobicContact CH2-CG 3.1Å; W259-M298 HydrophobicContact CH2-SD 3.4Å; W259-M298 WeakPolarHBondContact CH2-SD 3.5Å; W259-M298 HydrophobicContact CZ2-CG 3.53Å; W259-M298 HydrophobicContact CZ2-SD 3.92Å; W259-M298 HydrophobicContact CZ3-CG 3.46Å; W259-M298 VanDerWaalsContact CZ3-CG 3.46Å; W259-M298 HydrophobicContact CZ3-SD 4.2Å
260G95Very high95.1Very high22 Ų2258.5 Ų58.523%0.22732%0.316CS..SBendtrans153.9-178.2176.500000114.9S257 I262S257-G260 PolarHBondContact O-N 3.33Å; G260-I262 PolarHBondContact O-N 3.49Å
261E96.1Very high94.9Very high140 Ų14065.1 Ų65.165%0.65433%0.332SS*.  trans-70.3123.6-177.1-168.4179.4156.200111.8Y285 V286E261-Y285 WeakPolarHBondContact O-CA 3.44Å; E261-V286 HydrophobicContact CB-CB 4.26Å; E261-V286 HydrophobicContact CB-CG2 3.98Å; E261-V286 HydrophobicContact CG-CG2 3.84Å; E261-V286 PolarHBondContact O-N 3.24Å
262I95.7Very high94.6Very high28 Ų2867.6 Ų67.614%0.14435%0.347CS..EExtended strand (participates in β ladder)trans-90117.6176.4-62.6174.3000109Q253 F256 G260 S264 V265 V283 E284 Y285Q253-I262 HydrophobicContact CG-CD1 4.41Å; F256-I262 HydrophobicContact CB-CD1 3.83Å; G260-I262 PolarHBondContact O-N 3.49Å; I262-S264 WeakPolarHBondContact CG2-O 3.41Å; I262-V265 HydrophobicContact CG2-CG2 3.64Å; I262-V283 HydrophobicContact CB-CG1 4.45Å; I262-V283 HydrophobicContact CD1-CG1 3.84Å; I262-V283 HydrophobicContact CG1-CG1 3.77Å; I262-V283 HydrophobicContact CG2-CG1 3.91Å; I262-E284 CarbonylContact C-O 3.56Å; I262-E284 WeakPolarHBondContact CA-O 3.43Å; I262-Y285 HydrophobicContact CG1-CD1 4.25Å; I262-Y285 HydrophobicContact CG1-CE1 3.92Å
263H94Very high94.2Very high99 Ų9971.9 Ų71.946%0.45837%0.366SS..EExtended strand (participates in β ladder)trans-71.3-46.2170.5-172.561.7000111.8F235 E284 V286F235-H263 HydrophobicContact CD1-CB 4.46Å; F235-H263 HydrophobicContact CD2-CB 4.44Å; F235-H263 AromaticContact CD2-CD2 3.51Å; F235-H263 AromaticContact CD2-CG 3.93Å; F235-H263 HydrophobicContact CE1-CB 4.5Å; F235-H263 AromaticContact CE2-CD2 3.23Å; F235-H263 WeakPolarHBondContact CE2-CD2 3.14Å; F235-H263 AromaticContact CE2-CE1 3.71Å; F235-H263 AromaticContact CE2-CG 3.62Å; F235-H263 AromaticContact CE2-ND1 3.89Å; F235-H263 AromaticContact CE2-NE2 3.31Å; F235-H263 VanDerWaalsContact CE2-NE2 3.31Å; F235-H263 WeakPolarHBondContact CE2-NE2 3.36Å; F235-H263 HydrophobicContact CG-CB 4.42Å; F235-H263 AromaticContact CZ-CD2 3.83Å; F235-H263 AromaticContact CZ-CE1 3.71Å; F235-H263 AromaticContact CZ-CG 3.74Å; F235-H263 AromaticContact CZ-ND1 3.66Å; F235-H263 AromaticContact CZ-NE2 3.81Å; H263-E284 HydrophobicContact CB-CG 4.25Å; H263-E284 IonicContact CD2-OE2 3.63Å; H263-E284 PolarHBondContact N-O 2.98Å; H263-V286 HydrophobicContact CB-CG2 4.09Å
264S93.9Very high93.8Very high38 Ų3872.3 Ų72.327%0.26638%0.378SS..EExtended strand (participates in β ladder)trans-148.8158.2178.295.30000113.9I262 E284I262-S264 WeakPolarHBondContact CG2-O 3.41Å; S264-E284 WeakPolarHBondContact CB-OE2 3.49Å; S264-E284 PolarHBondContact N-O 3.12Å; S264-E284 PolarHBondContact O-N 2.98Å; S264-E284 PolarHBondContact OG-OE2 2.97Å
265V95.3Very high93.3Very high8 Ų874.5 Ų74.55%0.04839%0.388CS..EExtended strand (participates in β ladder)trans-131121.6169.5-175.10000108K249 I252 Q253 I262 Y282 V283K249-V265 HydrophobicContact CD-CB 4.18Å; K249-V265 HydrophobicContact CD-CG1 4.5Å; K249-V265 WeakPolarHBondContact CE-O 3.01Å; K249-V265 HydrophobicContact CG-CB 4.08Å; K249-V265 HydrophobicContact CG-CG1 4.07Å; K249-V265 PolarHBondContact NZ-O 2.98Å; I252-V265 HydrophobicContact CB-CG1 4.19Å; I252-V265 HydrophobicContact CG2-CG1 3.8Å; Q253-V265 HydrophobicContact CB-CG2 4.28Å; I262-V265 HydrophobicContact CG2-CG2 3.64Å; V265-Y282 WeakPolarHBondContact CA-O 3.08Å; V265-V283 HydrophobicContact CG1-CG2 4.4Å; V265-V283 HydrophobicContact CG2-CG2 4.36Å
266D94.8Very high93Very high64 Ų6474.9 Ų74.934%0.34239%0.388SS..EExtended strand (participates in β ladder)trans-112.6108.6176.5168.425.6000108.1R237 P268 G281 Y282R237-D266 IonicContact CZ-OD2 3.15Å; R237-D266 IonicContact NH2-OD2 2.71Å; R237-D266 PolarHBondContact NH2-OD2 3.03Å; D266-P268 WeakPolarHBondContact O-CD 3.3Å; D266-G281 CarbonylContact O-C 3.51Å; D266-G281 WeakPolarHBondContact O-CA 3.4Å; D266-Y282 HydrophobicContact CB-CD2 4.42Å; D266-Y282 PolarHBondContact N-O 3.37Å; D266-Y282 PolarHBondContact O-N 3.32Å; D266-Y282 WeakPolarHBondContact OD2-CD2 3.48Å
267L94.6Very high92.8Very high31 Ų3175.3 Ų75.316%0.16239%0.39CS..  trans-118.189.9-179.6-176.561.3000109.1L243 I247 K249 I252 P269 N277 Y280L243-L267 HydrophobicContact CD1-CD1 3.72Å; I247-L267 WeakPolarHBondContact O-CD2 3.41Å; K249-L267 HydrophobicContact CB-CD2 4.47Å; I252-L267 HydrophobicContact CD1-CB 4.46Å; I252-L267 HydrophobicContact CD1-CD1 3.6Å; I252-L267 HydrophobicContact CD1-CD2 3.81Å; I252-L267 HydrophobicContact CD1-CG 4.16Å; L267-P269 WeakPolarHBondContact O-CD 3.47Å; L267-N277 HydrophobicContact CD1-CB 3.7Å; L267-N277 HydrophobicContact CD2-CB 3.99Å; L267-N277 HydrophobicContact CG-CB 3.8Å; L267-Y280 WeakPolarHBondContact CD1-O 3.38Å
268P93.2Very high92.7Very high23 Ų2378.1 Ų78.115%0.14939%0.391CS..PPolyproline II helixtrans-60.9123-177.7-28.238000111.8D266 R278 Y280D266-P268 WeakPolarHBondContact O-CD 3.3Å; P268-R278 VanDerWaalsContact O-CB 3.27Å; P268-R278 WeakPolarHBondContact O-CB 3.08Å; P268-R278 PolarHBondContact O-N 2.97Å; P268-Y280 HydrophobicContact CB-CE2 4.43Å; P268-Y280 HydrophobicContact CG-CE2 3.87Å
269P92.8Very high92.6Very high76 Ų7674 Ų7449%0.49437%0.37SS..BIsolated β-bridgetrans-70.2158.4175.729.8-35.5000111.3L267 F276L267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-F276 WeakPolarHBondContact CA-O 3.34Å
270D92.3Very high92.6Very high40 Ų4073.9 Ų73.921%0.21437%0.371CS..PPolyproline II helixtrans-69.2151.1173.917849.7000112.1I272 H273 F276D270-I272 VanDerWaalsContact C-N 3.34Å; D270-I272 WeakPolarHBondContact OD2-CA 3.24Å; D270-I272 VanDerWaalsContact OD2-CB 3.3Å; D270-I272 WeakPolarHBondContact OD2-CB 3.34Å; D270-I272 PolarHBondContact OD2-N 2.84Å; D270-H273 IonicContact OD2-CD2 3.99Å; D270-H273 PolarHBondContact OD2-N 3.41Å; D270-H273 VanDerWaalsContact OD2-N 3.08Å; D270-F276 PolarHBondContact N-O 3.38Å
271R90.6Very high92.7Very high222 Ų22272.9 Ų72.984%0.83836%0.36SS*.SBendtrans-75.3-20.8-178.7-67.2-177173.4-167.4-2.9113.7
272I89.9Confident92.7Very high132 Ų13269 Ų6968%0.67734%0.339SS*.SBendtrans-97.6-42.8-179.8-49.3178.5000109.5D270D270-I272 VanDerWaalsContact C-N 3.34Å; D270-I272 WeakPolarHBondContact OD2-CA 3.24Å; D270-I272 VanDerWaalsContact OD2-CB 3.3Å; D270-I272 WeakPolarHBondContact OD2-CB 3.34Å; D270-I272 PolarHBondContact OD2-N 2.84Å
273H88.5Confident92.7Very high90 Ų9067.6 Ų67.642%0.41733%0.333SS..  trans-123.894.4-178.3-59-84000110.9D270 E275 F276D270-H273 IonicContact OD2-CD2 3.99Å; D270-H273 PolarHBondContact OD2-N 3.41Å; D270-H273 VanDerWaalsContact OD2-N 3.08Å; H273-E275 PolarHBondContact O-N 3.1Å; H273-E275 VanDerWaalsContact O-N 3.12Å; H273-F276 HydrophobicContact CB-CB 4.48Å; H273-F276 HydrophobicContact CB-CD2 3.5Å; H273-F276 VanDerWaalsContact CB-CD2 3.5Å; H273-F276 HydrophobicContact CB-CE2 4.11Å; H273-F276 HydrophobicContact CB-CG 4.36Å; H273-F276 PolarHBondContact O-N 3.29Å
274P87.5Confident92.8Very high109 Ų10963.3 Ų63.371%0.70831%0.313SS*.THydrogen-bonded Turntrans-70.4-8.2-174.729.3-36.4000114.5
275E85.7Confident92.8Very high164 Ų16461.5 Ų61.577%0.76630%0.3SS*.THydrogen-bonded Turntrans-71.2-33.9168.9177.5178.3-153.100112.2H273H273-E275 PolarHBondContact O-N 3.1Å; H273-E275 VanDerWaalsContact O-N 3.12Å
276F90.4Very high92.8Very high60 Ų6063.1 Ų63.126%0.26331%0.31SS..SBendtrans-97.6147.9-176.3-57.6-46000111.3K245 P269 D270 H273K245-F276 HydrophobicContact CB-CB 4.05Å; K245-F276 HydrophobicContact CB-CD1 4.13Å; K245-F276 HydrophobicContact CB-CG 4.08Å; K245-F276 HydrophobicContact CD-CB 4.41Å; K245-F276 HydrophobicContact CD-CD2 4.34Å; K245-F276 HydrophobicContact CD-CG 4.35Å; K245-F276 HydrophobicContact CG-CB 4.4Å; P269-F276 WeakPolarHBondContact CA-O 3.34Å; D270-F276 PolarHBondContact N-O 3.38Å; H273-F276 HydrophobicContact CB-CB 4.48Å; H273-F276 HydrophobicContact CB-CD2 3.5Å; H273-F276 VanDerWaalsContact CB-CD2 3.5Å; H273-F276 HydrophobicContact CB-CE2 4.11Å; H273-F276 HydrophobicContact CB-CG 4.36Å; H273-F276 PolarHBondContact O-N 3.29Å
277N92.2Very high92.6Very high9 Ų964.6 Ų64.65%0.04832%0.318CS..BIsolated β-bridgetrans-70.3165.7170.471.245.4000111.8T244 I247 L267 G279T244-N277 PolarHBondContact O-ND2 3.26Å; T244-N277 PolarHBondContact O-OD1 3.16Å; I247-N277 PolarHBondContact O-ND2 3.4Å; L267-N277 HydrophobicContact CD1-CB 3.7Å; L267-N277 HydrophobicContact CD2-CB 3.99Å; L267-N277 HydrophobicContact CG-CB 3.8Å; N277-G279 PolarHBondContact O-N 2.8Å; N277-G279 WeakPolarHBondContact OD1-CA 3.37Å; N277-G279 PolarHBondContact OD1-N 3.25Å
278R93.3Very high92.6Very high123 Ų12366.5 Ų66.546%0.46433%0.333SS..  trans-84.615.8178.4-159.7171.7166.8-133.7-8114.1P268 Y280P268-R278 VanDerWaalsContact O-CB 3.27Å; P268-R278 WeakPolarHBondContact O-CB 3.08Å; P268-R278 PolarHBondContact O-N 2.97Å; R278-Y280 HydrophobicContact CB-CD1 4.2Å; R278-Y280 HydrophobicContact CB-CE1 3.85Å; R278-Y280 HydrophobicContact CG-CD1 4.29Å; R278-Y280 HydrophobicContact CG-CE1 3.71Å; R278-Y280 PolarHBondContact NH1-OH 3.37Å; R278-Y280 PolarHBondContact O-N 3.07Å
279G94.1Very high92.6Very high24 Ų2472.6 Ų72.625%0.24736%0.358CS..SBendtrans75.56.4-177.200000115.1K242 L243 N277K242-G279 PolarHBondContact N-O 2.86Å; L243-G279 PolarHBondContact N-O 3.26Å; N277-G279 PolarHBondContact O-N 2.8Å; N277-G279 WeakPolarHBondContact OD1-CA 3.37Å; N277-G279 PolarHBondContact OD1-N 3.25Å
280Y95.8Very high92.7Very high50 Ų5069.7 Ų69.720%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-147.9157.3172.173.4-90.8000110L239 I240 L267 P268 R278 Y282L239-Y280 HydrophobicContact CD1-CD2 4.11Å; I240-Y280 CarbonylContact O-C 3.57Å; I240-Y280 WeakPolarHBondContact O-CA 3.46Å; I240-Y280 WeakPolarHBondContact O-CB 3.25Å; L267-Y280 WeakPolarHBondContact CD1-O 3.38Å; P268-Y280 HydrophobicContact CB-CE2 4.43Å; P268-Y280 HydrophobicContact CG-CE2 3.87Å; R278-Y280 HydrophobicContact CB-CD1 4.2Å; R278-Y280 HydrophobicContact CB-CE1 3.85Å; R278-Y280 HydrophobicContact CG-CD1 4.29Å; R278-Y280 HydrophobicContact CG-CE1 3.71Å; R278-Y280 PolarHBondContact NH1-OH 3.37Å; R278-Y280 PolarHBondContact O-N 3.07Å; Y280-Y282 HydrophobicContact CD2-CE2 4.2Å; Y280-Y282 AromaticContact CE2-CE2 3.84Å; Y280-Y282 HydrophobicContact CE2-CE2 3.84Å
281G95.7Very high92.9Very high0 Ų067.8 Ų67.80%033%0.329CS..EExtended strand (participates in β ladder)trans-154.7173.3175.500000111.4I240 D266I240-G281 PolarHBondContact N-O 3.44Å; I240-G281 PolarHBondContact O-N 2.78Å; D266-G281 CarbonylContact O-C 3.51Å; D266-G281 WeakPolarHBondContact O-CA 3.4Å
282Y96.4Very high93.1Very high58 Ų5859 Ų5923%0.22730%0.301CS..EExtended strand (participates in β ladder)trans-124.6139.1176.6-53-89000110.9R237 V238 L239 V265 D266 Y280 V313R237-Y282 HydrophobicContact CG-CD1 4.33Å; V238-Y282 CarbonylContact O-C 3.57Å; V238-Y282 WeakPolarHBondContact O-CA 3.21Å; L239-Y282 HydrophobicContact CB-CD1 4.01Å; L239-Y282 HydrophobicContact CB-CE1 4.03Å; L239-Y282 HydrophobicContact CD1-CD1 4.11Å; L239-Y282 HydrophobicContact CD1-CE1 3.75Å; L239-Y282 HydrophobicContact CG-CE1 4.38Å; V265-Y282 WeakPolarHBondContact CA-O 3.08Å; D266-Y282 HydrophobicContact CB-CD2 4.42Å; D266-Y282 PolarHBondContact N-O 3.37Å; D266-Y282 PolarHBondContact O-N 3.32Å; D266-Y282 WeakPolarHBondContact OD2-CD2 3.48Å; Y280-Y282 HydrophobicContact CD2-CE2 4.2Å; Y280-Y282 AromaticContact CE2-CE2 3.84Å; Y280-Y282 HydrophobicContact CE2-CE2 3.84Å; Y282-V313 HydrophobicContact CE1-CG2 4.4Å
283V95.9Very high93.4Very high0 Ų055 Ų550%028%0.282CS..EExtended strand (participates in β ladder)trans-114.9141168.7175.30000107.5R237 V238 I240 I252 F256 I262 V265 Y285R237-V283 CarbonylContact C-O 3.58Å; R237-V283 WeakPolarHBondContact CA-O 3.46Å; V238-V283 PolarHBondContact N-O 2.82Å; V238-V283 PolarHBondContact O-N 3.41Å; I240-V283 HydrophobicContact CD1-CG2 3.6Å; I252-V283 HydrophobicContact CG2-CG2 3.37Å; F256-V283 HydrophobicContact CB-CG1 4.25Å; F256-V283 HydrophobicContact CB-CG2 4.17Å; F256-V283 HydrophobicContact CG-CG2 4.16Å; I262-V283 HydrophobicContact CB-CG1 4.45Å; I262-V283 HydrophobicContact CD1-CG1 3.84Å; I262-V283 HydrophobicContact CG1-CG1 3.77Å; I262-V283 HydrophobicContact CG2-CG1 3.91Å; V265-V283 HydrophobicContact CG1-CG2 4.4Å; V265-V283 HydrophobicContact CG2-CG2 4.36Å; V283-Y285 HydrophobicContact CB-CE2 4.33Å; V283-Y285 HydrophobicContact CG1-CD2 3.91Å; V283-Y285 HydrophobicContact CG1-CE2 3.53Å
284E95Very high93.7Very high9 Ų950.8 Ų50.84%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-123.5116-179.2178.1175.1-136.600108.5D232 F235 I262 H263 S264D232-E284 WeakPolarHBondContact CB-OE1 3.43Å; F235-E284 HydrophobicContact CB-CG 3.64Å; F235-E284 HydrophobicContact CD2-CG 4.47Å; F235-E284 HydrophobicContact CG-CG 4.34Å; I262-E284 CarbonylContact C-O 3.56Å; I262-E284 WeakPolarHBondContact CA-O 3.43Å; H263-E284 HydrophobicContact CB-CG 4.25Å; H263-E284 IonicContact CD2-OE2 3.63Å; H263-E284 PolarHBondContact N-O 2.98Å; S264-E284 WeakPolarHBondContact CB-OE2 3.49Å; S264-E284 PolarHBondContact N-O 3.12Å; S264-E284 PolarHBondContact O-N 2.98Å; S264-E284 PolarHBondContact OG-OE2 2.97Å
285Y95.9Very high94.1Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-94.4145.8-177.8-73.8-88.5000112F235 T236 V238 F256 E261 I262 V283 D287 A291 A294F235-Y285 VanDerWaalsContact CA-O 3.28Å; F235-Y285 WeakPolarHBondContact CA-O 3.24Å; F235-Y285 WeakPolarHBondContact CB-O 3.44Å; T236-Y285 PolarHBondContact N-O 2.94Å; T236-Y285 PolarHBondContact O-N 3.34Å; V238-Y285 HydrophobicContact CG2-CD2 4.1Å; V238-Y285 HydrophobicContact CG2-CE2 4.06Å; F256-Y285 WeakPolarHBondContact CB-OH 3.35Å; F256-Y285 WeakPolarHBondContact CD1-OH 3.39Å; F256-Y285 WeakPolarHBondContact O-CE1 3.22Å; F256-Y285 PolarHBondContact O-OH 3.34Å; E261-Y285 WeakPolarHBondContact O-CA 3.44Å; I262-Y285 HydrophobicContact CG1-CD1 4.25Å; I262-Y285 HydrophobicContact CG1-CE1 3.92Å; V283-Y285 HydrophobicContact CB-CE2 4.33Å; V283-Y285 HydrophobicContact CG1-CD2 3.91Å; V283-Y285 HydrophobicContact CG1-CE2 3.53Å; Y285-D287 VanDerWaalsContact C-N 3.32Å; Y285-D287 WeakPolarHBondContact CB-O 3.37Å; Y285-A291 HydrophobicContact CD2-CB 3.19Å; Y285-A291 HydrophobicContact CE2-CB 3.79Å; Y285-A291 HydrophobicContact CG-CB 3.82Å; Y285-A294 HydrophobicContact CE2-CB 3.98Å; Y285-A294 WeakPolarHBondContact OH-CB 3.3Å
286V93.4Very high94.7Very high42 Ų4244.3 Ų44.326%0.25523%0.227SC..SBendtrans-60.8-44.3170.31780000110.5E261 H263E261-V286 HydrophobicContact CB-CB 4.26Å; E261-V286 HydrophobicContact CB-CG2 3.98Å; E261-V286 HydrophobicContact CG-CG2 3.84Å; E261-V286 PolarHBondContact O-N 3.24Å; H263-V286 HydrophobicContact CB-CG2 4.09Å
287D92.6Very high94.9Very high95 Ų9548.4 Ų48.451%0.50825%0.245SC..SBendtrans-103.5136.4-179.5-74-53.6000113Y285 K289 S290 A291Y285-D287 VanDerWaalsContact C-N 3.32Å; Y285-D287 WeakPolarHBondContact CB-O 3.37Å; D287-K289 VanDerWaalsContact C-N 3.31Å; D287-K289 PolarHBondContact O-N 2.83Å; D287-S290 PolarHBondContact O-N 3.37Å; D287-A291 PolarHBondContact O-N 3.03Å
288S92.9Very high95Very high70 Ų7049 Ų4949%0.4925%0.248SC..Hα-helixtrans-65.2-32.9174.11780000113.1T236 A291 S292T236-S288 VanDerWaalsContact OG1-CA 3.23Å; T236-S288 WeakPolarHBondContact OG1-CA 3.11Å; T236-S288 VanDerWaalsContact OG1-CB 3.26Å; T236-S288 WeakPolarHBondContact OG1-CB 3.25Å; T236-S288 PolarHBondContact OG1-OG 3.02Å; S288-A291 WeakPolarHBondContact O-CA 3.44Å; S288-A291 PolarHBondContact O-N 3.43Å; S288-S292 PolarHBondContact O-N 3.23Å
289K94.3Very high95.2Very high152 Ų15247.5 Ų47.566%0.66125%0.249SC*.Hα-helixtrans-64-46.2177.6-172.2-168.2170.1-161.90111.7D287 A291 S292 D293D287-K289 VanDerWaalsContact C-N 3.31Å; D287-K289 PolarHBondContact O-N 2.83Å; K289-A291 PolarHBondContact O-N 2.78Å; K289-S292 PolarHBondContact O-N 3.31Å; K289-S292 VanDerWaalsContact O-N 3.1Å; K289-D293 VanDerWaalsContact CE-OD2 3.25Å; K289-D293 WeakPolarHBondContact CE-OD2 3.43Å; K289-D293 IonicContact NZ-OD2 3.71Å; K289-D293 PolarHBondContact O-N 3.33Å
290S95.1Very high95.3Very high15 Ų1548.8 Ų48.811%0.10526%0.262CS..Hα-helixtrans-59.4-36.5174.4-65.50000112.3W259 D287 A294W259-S290 WeakPolarHBondContact O-CB 3.46Å; W259-S290 PolarHBondContact O-OG 3.1Å; D287-S290 PolarHBondContact O-N 3.37Å; S290-A294 VanDerWaalsContact O-CB 3.24Å; S290-A294 WeakPolarHBondContact O-CB 3.37Å; S290-A294 PolarHBondContact O-N 3.39Å
291A95Very high95.2Very high0 Ų047.3 Ų47.30%026%0.263CS..Hα-helixtrans-28.3-77.9154.100000115.2T236 V238 Y285 D287 S288 K289 A294 V295T236-A291 HydrophobicContact CG2-CB 3.8Å; V238-A291 HydrophobicContact CG2-CB 3.21Å; Y285-A291 HydrophobicContact CD2-CB 3.19Å; Y285-A291 HydrophobicContact CE2-CB 3.79Å; Y285-A291 HydrophobicContact CG-CB 3.82Å; D287-A291 PolarHBondContact O-N 3.03Å; S288-A291 WeakPolarHBondContact O-CA 3.44Å; S288-A291 PolarHBondContact O-N 3.43Å; K289-A291 PolarHBondContact O-N 2.78Å; A291-A294 PolarHBondContact O-N 3.17Å; A291-V295 WeakPolarHBondContact O-CG2 3.18Å; A291-V295 PolarHBondContact O-N 2.86Å
292S95.1Very high95.2Very high36 Ų3653.7 Ų53.725%0.25229%0.293SS..Hα-helixtrans-69.2-37.7-173.1-53.40000112.4S288 K289 V295 N296 E312S288-S292 PolarHBondContact O-N 3.23Å; K289-S292 PolarHBondContact O-N 3.31Å; K289-S292 VanDerWaalsContact O-N 3.1Å; S292-V295 PolarHBondContact O-N 2.99Å; S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 2.77Å; S292-N296 PolarHBondContact O-ND2 2.91Å; S292-E312 VanDerWaalsContact CA-OE1 3.24Å; S292-E312 WeakPolarHBondContact CA-OE1 3.46Å; S292-E312 VanDerWaalsContact CB-OE1 3.24Å; S292-E312 WeakPolarHBondContact CB-OE1 3.46Å; S292-E312 PolarHBondContact OG-OE1 2.88Å
293D96Very high95.2Very high50 Ų5051.5 Ų51.527%0.26729%0.285SS..Hα-helixtrans-61.4-46.7176.2-72.4-22.4000110.5K289 V295 N296 F297K289-D293 VanDerWaalsContact CE-OD2 3.25Å; K289-D293 WeakPolarHBondContact CE-OD2 3.43Å; K289-D293 IonicContact NZ-OD2 3.71Å; K289-D293 PolarHBondContact O-N 3.33Å; D293-V295 VanDerWaalsContact C-N 3.32Å; D293-V295 PolarHBondContact O-N 3.1Å; D293-N296 PolarHBondContact O-N 3.33Å; D293-F297 HydrophobicContact CB-CD2 4.48Å; D293-F297 HydrophobicContact CB-CE2 4.48Å; D293-F297 WeakPolarHBondContact O-CD2 3.47Å; D293-F297 PolarHBondContact O-N 3.44Å
294A96.1Very high95.1Very high0 Ų055.9 Ų55.90%031%0.308CS..Hα-helixtrans-59.7-40.7175.600000112.8F256 W259 Y285 S290 A291 M298F256-A294 HydrophobicContact CD1-CB 4.45Å; W259-A294 HydrophobicContact CB-CB 3.77Å; W259-A294 HydrophobicContact CD2-CB 3.93Å; W259-A294 HydrophobicContact CE3-CB 3.93Å; W259-A294 HydrophobicContact CG-CB 3.81Å; Y285-A294 HydrophobicContact CE2-CB 3.98Å; Y285-A294 WeakPolarHBondContact OH-CB 3.3Å; S290-A294 VanDerWaalsContact O-CB 3.24Å; S290-A294 WeakPolarHBondContact O-CB 3.37Å; S290-A294 PolarHBondContact O-N 3.39Å; A291-A294 PolarHBondContact O-N 3.17Å; A294-M298 WeakPolarHBondContact O-CB 3.47Å; A294-M298 PolarHBondContact O-N 3.13Å
295V96.5Very high95.1Very high18 Ų1858.9 Ų58.911%0.10934%0.341CS..Hα-helixtrans-66.3-43.7177.4170.80000111.1V238 A291 S292 D293 F297 N299 V310 E312V238-V295 HydrophobicContact CG1-CG2 3.88Å; V238-V295 HydrophobicContact CG2-CG2 3.96Å; A291-V295 WeakPolarHBondContact O-CG2 3.18Å; A291-V295 PolarHBondContact O-N 2.86Å; S292-V295 PolarHBondContact O-N 2.99Å; D293-V295 VanDerWaalsContact C-N 3.32Å; D293-V295 PolarHBondContact O-N 3.1Å; V295-F297 PolarHBondContact O-N 3.08Å; V295-N299 WeakPolarHBondContact O-CB 3.48Å; V295-N299 PolarHBondContact O-N 2.95Å; V295-V310 HydrophobicContact CB-CG1 4.4Å; V295-V310 HydrophobicContact CG2-CG1 3.88Å; V295-E312 HydrophobicContact CB-CG 4.36Å; V295-E312 HydrophobicContact CG1-CG 4.4Å; V295-E312 HydrophobicContact CG2-CG 3.74Å
296N96.3Very high95.1Very high120 Ų12062.8 Ų62.864%0.64236%0.359SS*.Hα-helixtrans-65-36.5179.5-72.1-32.5000112.9S292 D293S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 2.77Å; S292-N296 PolarHBondContact O-ND2 2.91Å; D293-N296 PolarHBondContact O-N 3.33Å
297F95.2Very high95.3Very high146 Ų14665.8 Ų65.864%0.6437%0.371SS*.Hα-helixtrans-90.9-29.4-177.8-69.1-62.5000114.8W259 D293 V295W259-F297 AromaticContact CD1-CD2 3.83Å; W259-F297 HydrophobicContact CZ2-CB 4.32Å; W259-F297 AromaticContact NE1-CD2 3.57Å; W259-F297 AromaticContact NE1-CG 3.89Å; D293-F297 HydrophobicContact CB-CD2 4.48Å; D293-F297 HydrophobicContact CB-CE2 4.48Å; D293-F297 WeakPolarHBondContact O-CD2 3.47Å; D293-F297 PolarHBondContact O-N 3.44Å; V295-F297 PolarHBondContact O-N 3.08Å
298M95.6Very high95.5Very high20 Ų2061.2 Ų61.210%0.09935%0.346CS..Hα-helixtrans-102.9-10.6-176.3-73-65.2-71.600115.8I255 F256 W259 A294 G300 G301 I303 V308 V310I255-M298 HydrophobicContact CG2-CE 3.91Å; F256-M298 HydrophobicContact CE1-CB 4.16Å; F256-M298 HydrophobicContact CE1-CG 4.22Å; F256-M298 HydrophobicContact CE2-CE 4.49Å; F256-M298 HydrophobicContact CZ-CB 4.25Å; F256-M298 HydrophobicContact CZ-CE 4.23Å; F256-M298 HydrophobicContact CZ-CG 4.32Å; W259-M298 HydrophobicContact CE3-CG 4.24Å; W259-M298 HydrophobicContact CH2-CE 4.39Å; W259-M298 HydrophobicContact CH2-CG 3.1Å; W259-M298 HydrophobicContact CH2-SD 3.4Å; W259-M298 WeakPolarHBondContact CH2-SD 3.5Å; W259-M298 HydrophobicContact CZ2-CG 3.53Å; W259-M298 HydrophobicContact CZ2-SD 3.92Å; W259-M298 HydrophobicContact CZ3-CG 3.46Å; W259-M298 VanDerWaalsContact CZ3-CG 3.46Å; W259-M298 HydrophobicContact CZ3-SD 4.2Å; A294-M298 WeakPolarHBondContact O-CB 3.47Å; A294-M298 PolarHBondContact O-N 3.13Å; M298-G300 PolarHBondContact O-N 2.99Å; M298-G301 PolarHBondContact O-N 3.14Å; M298-I303 HydrophobicContact CE-CD1 3.67Å; M298-I303 HydrophobicContact CE-CG1 3.7Å; M298-V308 HydrophobicContact CE-CG2 4.29Å; M298-V310 HydrophobicContact CB-CB 4.42Å; M298-V310 HydrophobicContact CB-CG2 3.73Å; M298-V310 WeakPolarHBondContact O-CG2 3.14Å
299N96.2Very high95.7Very high92 Ų9263.6 Ų63.649%0.49234%0.344SS..THydrogen-bonded Turntrans-71106.1176.7-171.928.8000110.8V295 R309 V310V295-N299 WeakPolarHBondContact O-CB 3.48Å; V295-N299 PolarHBondContact O-N 2.95Å; N299-R309 WeakPolarHBondContact OD1-CA 3.37Å; N299-V310 HydrophobicContact CB-CB 4.1Å; N299-V310 WeakPolarHBondContact CB-O 3.28Å; N299-V310 VanDerWaalsContact CG-O 3.23Å; N299-V310 PolarHBondContact OD1-N 3.09Å; N299-V310 PolarHBondContact OD1-O 3.4Å
300G95.6Very high95.8Very high51 Ų5156.4 Ų56.453%0.52631%0.313SS..THydrogen-bonded Turntrans94.3-2-168.300000114.4M298 V308M298-G300 PolarHBondContact O-N 2.99Å; G300-V308 WeakPolarHBondContact CA-O 3.23Å; G300-V308 PolarHBondContact N-O 3.23Å
301G95.4Very high95.9Very high20 Ų2057.7 Ų57.721%0.20632%0.322CS..  trans-67.2167169.300000112.3M298 E307 V308M298-G301 PolarHBondContact O-N 3.14Å; G301-E307 CarbonylContact O-C 3.57Å; G301-E307 WeakPolarHBondContact O-CA 3.33Å; G301-V308 WeakPolarHBondContact O-CG2 3.49Å; G301-V308 PolarHBondContact O-N 3.28Å
302Q95.8Very high95.8Very high134 Ų13461 Ų6163%0.62634%0.338SS*.EExtended strand (participates in β ladder)trans-109.9135.2179.5-66.7-177.7-2.700111.6Q306 E307Q302-Q306 WeakPolarHBondContact CA-O 3.46Å; Q302-E307 HydrophobicContact CG-CG 4.16Å
303I95.3Very high95.7Very high12 Ų1261.5 Ų61.56%0.06234%0.339CS..EExtended strand (participates in β ladder)trans-131.1132170.9-51.1-178.1000108.3I247 I255 F256 M298 G305 Q306 V308I247-I303 HydrophobicContact CD1-CB 4Å; I247-I303 HydrophobicContact CD1-CG2 3.46Å; I247-I303 VanDerWaalsContact CD1-CG2 3.46Å; I247-I303 HydrophobicContact CG1-CG2 4.04Å; I255-I303 HydrophobicContact CD1-CD1 4.14Å; I255-I303 HydrophobicContact CD1-CG1 4.33Å; I255-I303 HydrophobicContact CD1-CG2 3.51Å; I255-I303 HydrophobicContact CG2-CD1 4.23Å; F256-I303 HydrophobicContact CE2-CD1 3.81Å; F256-I303 HydrophobicContact CZ-CD1 4.34Å; M298-I303 HydrophobicContact CE-CD1 3.67Å; M298-I303 HydrophobicContact CE-CG1 3.7Å; I303-G305 PolarHBondContact O-N 3.02Å; I303-Q306 PolarHBondContact N-O 2.78Å; I303-Q306 PolarHBondContact O-N 3.41Å; I303-V308 HydrophobicContact CB-CG1 4.07Å; I303-V308 HydrophobicContact CD1-CG1 3.95Å; I303-V308 HydrophobicContact CD1-CG2 4.06Å; I303-V308 HydrophobicContact CG1-CG1 3.92Å; I303-V308 HydrophobicContact CG1-CG2 4.08Å
304D94.4Very high94.9Very high92 Ų9265.5 Ų65.549%0.49236%0.356SS..THydrogen-bonded Turntrans51.838.2-177.2-167.138.7000112.4T244 N246 I247 Q306T244-D304 VanDerWaalsContact CB-OD2 3.31Å; T244-D304 WeakPolarHBondContact CB-OD2 3.28Å; T244-D304 HydrophobicContact CG2-CB 3.73Å; T244-D304 WeakPolarHBondContact CG2-OD2 3.47Å; T244-D304 PolarHBondContact OG1-OD2 2.83Å; N246-D304 PolarHBondContact ND2-OD2 2.96Å; I247-D304 HydrophobicContact CD1-CB 4.21Å; I247-D304 HydrophobicContact CG1-CB 4.17Å; D304-Q306 PolarHBondContact O-N 2.81Å
305G94.3Very high93.4Very high71 Ų7169.2 Ų69.273%0.73238%0.382SS*.THydrogen-bonded Turntrans73.52.1-177.500000115.9I303I303-G305 PolarHBondContact O-N 3.02Å
306Q96Very high91.3Very high82 Ų8275.9 Ų75.938%0.38341%0.412SS..EExtended strand (participates in β ladder)trans-112.5133.8-178.6-167.3172.7-72.300111.5K242 L243 T244 Q302 I303 D304 V308K242-Q306 VanDerWaalsContact C-NE2 3.31Å; K242-Q306 PolarHBondContact O-NE2 2.91Å; L243-Q306 PolarHBondContact O-NE2 3.44Å; T244-Q306 HydrophobicContact CG2-CB 3.53Å; T244-Q306 HydrophobicContact CG2-CG 4.36Å; Q302-Q306 WeakPolarHBondContact CA-O 3.46Å; I303-Q306 PolarHBondContact N-O 2.78Å; I303-Q306 PolarHBondContact O-N 3.41Å; D304-Q306 PolarHBondContact O-N 2.81Å; Q306-V308 PolarHBondContact O-N 3.05Å
307E97.2Very high89.1Confident105 Ų10576.4 Ų76.449%0.49142%0.42SS..EExtended strand (participates in β ladder)trans-63.7122.9173.2-67.1173.9-179.800111.2K242 G301 Q302K242-E307 VanDerWaalsContact CB-O 3.3Å; K242-E307 WeakPolarHBondContact CB-O 3.22Å; K242-E307 WeakPolarHBondContact CD-O 3.48Å; K242-E307 IonicContact NZ-OE2 2.68Å; G301-E307 CarbonylContact O-C 3.57Å; G301-E307 WeakPolarHBondContact O-CA 3.33Å; Q302-E307 HydrophobicContact CG-CG 4.16Å
308V97.2Very high86.7Confident0 Ų073 Ų730%042%0.419CS..  trans-95.1154.5174.4-62.80000111.6I240 E241 L243 M298 G300 G301 I303 Q306 V310I240-V308 HydrophobicContact CG2-CB 4.19Å; I240-V308 HydrophobicContact CG2-CG1 4.43Å; E241-V308 WeakPolarHBondContact O-CA 3.46Å; L243-V308 HydrophobicContact CD2-CG1 4.07Å; M298-V308 HydrophobicContact CE-CG2 4.29Å; G300-V308 WeakPolarHBondContact CA-O 3.23Å; G300-V308 PolarHBondContact N-O 3.23Å; G301-V308 WeakPolarHBondContact O-CG2 3.49Å; G301-V308 PolarHBondContact O-N 3.28Å; I303-V308 HydrophobicContact CB-CG1 4.07Å; I303-V308 HydrophobicContact CD1-CG1 3.95Å; I303-V308 HydrophobicContact CD1-CG2 4.06Å; I303-V308 HydrophobicContact CG1-CG1 3.92Å; I303-V308 HydrophobicContact CG1-CG2 4.08Å; Q306-V308 PolarHBondContact O-N 3.05Å; V308-V310 HydrophobicContact CG2-CG2 4.1Å
309R97.3Very high84.2Confident119 Ų11978.1 Ų78.145%0.44944%0.442SS..EExtended strand (participates in β ladder)trans-107.6140.5164.1-59.8-168.8-62.3-143.22.5108.8I240 E241 K242 N299I240-R309 CarbonylContact C-O 3.56Å; I240-R309 WeakPolarHBondContact CA-O 3.38Å; E241-R309 HydrophobicContact CB-CB 4.3Å; E241-R309 PolarHBondContact N-O 3.07Å; E241-R309 PolarHBondContact O-N 3.19Å; E241-R309 IonicContact OE1-NH2 2.79Å; E241-R309 IonicContact OE2-CZ 3.34Å; E241-R309 IonicContact OE2-NE 3.97Å; E241-R309 PolarHBondContact OE2-NE 2.83Å; E241-R309 IonicContact OE2-NH2 3.67Å; E241-R309 PolarHBondContact OE2-NH2 2.77Å; K242-R309 HydrophobicContact CD-CG 4.13Å; N299-R309 WeakPolarHBondContact OD1-CA 3.37Å
310V97.2Very high82.2Confident1 Ų180.8 Ų80.81%0.00646%0.456CS..EExtended strand (participates in β ladder)trans-131.1134.8-177.7-171.80000108.5V238 L239 I240 F256 V295 M298 N299 V308V238-V310 HydrophobicContact CG1-CG1 3.3Å; L239-V310 WeakPolarHBondContact O-CA 3.25Å; I240-V310 HydrophobicContact CG2-CG2 4.31Å; F256-V310 HydrophobicContact CE1-CG1 4.19Å; F256-V310 HydrophobicContact CE1-CG2 4.34Å; F256-V310 HydrophobicContact CZ-CG2 4.18Å; V295-V310 HydrophobicContact CB-CG1 4.4Å; V295-V310 HydrophobicContact CG2-CG1 3.88Å; M298-V310 HydrophobicContact CB-CB 4.42Å; M298-V310 HydrophobicContact CB-CG2 3.73Å; M298-V310 WeakPolarHBondContact O-CG2 3.14Å; N299-V310 HydrophobicContact CB-CB 4.1Å; N299-V310 WeakPolarHBondContact CB-O 3.28Å; N299-V310 VanDerWaalsContact CG-O 3.23Å; N299-V310 PolarHBondContact OD1-N 3.09Å; N299-V310 PolarHBondContact OD1-O 3.4Å; V308-V310 HydrophobicContact CG2-CG2 4.1Å
311S96Very high80Confident42 Ų4282 Ų8229%0.29446%0.456SS..EExtended strand (participates in β ladder)trans-154144-171.455.20000112.6V238 L239 V313V238-S311 CarbonylContact C-O 3.56Å; V238-S311 WeakPolarHBondContact CA-O 3.25Å; L239-S311 PolarHBondContact N-O 2.95Å; L239-S311 PolarHBondContact O-N 3.04Å; L239-S311 PolarHBondContact O-OG 2.92Å; S311-V313 PolarHBondContact O-N 2.94Å
312E93.9Very high78Confident69 Ų6986.9 Ų86.932%0.32248%0.477SS..EExtended strand (participates in β ladder)trans-74.7118.9176.9-61.8179.1167.400111.3S292 V295 H314S292-E312 VanDerWaalsContact CA-OE1 3.24Å; S292-E312 WeakPolarHBondContact CA-OE1 3.46Å; S292-E312 VanDerWaalsContact CB-OE1 3.24Å; S292-E312 WeakPolarHBondContact CB-OE1 3.46Å; S292-E312 PolarHBondContact OG-OE1 2.88Å; V295-E312 HydrophobicContact CB-CG 4.36Å; V295-E312 HydrophobicContact CG1-CG 4.4Å; V295-E312 HydrophobicContact CG2-CG 3.74Å; E312-H314 PolarHBondContact O-N 2.94Å; E312-H314 IonicContact OE2-CE1 2.67Å; E312-H314 PolarHBondContact OE2-CE1 2.96Å
313V91.2Very high75.9Confident48 Ų4890.1 Ų90.129%0.29148%0.484SS..EExtended strand (participates in β ladder)trans-9687.8172.2-178.30000109.4R237 L239 Y282 S311 S315R237-V313 WeakPolarHBondContact O-CA 3.28Å; R237-V313 PolarHBondContact O-N 2.76Å; L239-V313 HydrophobicContact CB-CG2 3.35Å; L239-V313 HydrophobicContact CD2-CG2 4.36Å; L239-V313 HydrophobicContact CG-CG2 4.49Å; Y282-V313 HydrophobicContact CE1-CG2 4.4Å; S311-V313 PolarHBondContact O-N 2.94Å; V313-S315 PolarHBondContact O-N 3.45Å
314H79.6Confident73.9Confident133 Ų13393 Ų9362%0.61651%0.51SS*.  trans-57.7116.3159.9-66.178.1000108.7E312 Q316E312-H314 PolarHBondContact O-N 2.94Å; E312-H314 IonicContact OE2-CE1 2.67Å; E312-H314 PolarHBondContact OE2-CE1 2.96Å; H314-Q316 PolarHBondContact O-N 2.69Å
315S65.1Low71.7Confident79 Ų7991.8 Ų91.855%0.55252%0.518SS*.  trans-69.192.4-179.2360000110.6V313 T317V313-S315 PolarHBondContact O-N 3.45Å; S315-T317 PolarHBondContact O-N 2.95Å; S315-T317 PolarHBondContact O-OG1 2.72Å
316Q53.3Low69.6Low158 Ų15899.3 Ų99.374%0.73853%0.525SS*.  trans-71.547.8-179.8-74.1-75.8-17.300113.3H314 A318H314-Q316 PolarHBondContact O-N 2.69Å; Q316-A318 PolarHBondContact O-N 3.28Å; Q316-A318 VanDerWaalsContact O-N 3.14Å
317T48.5Very low67.3Low130 Ų130100.2 Ų100.280%0.79854%0.541SS*.  trans-84.138.8173.147.40000112S315S315-T317 PolarHBondContact O-N 2.95Å; S315-T317 PolarHBondContact O-OG1 2.72Å
318A44.6Very low65Low76 Ų76100.8 Ų100.863%0.62855%0.547SS*.SBendtrans-127.220.4-170.400000114.7Q316Q316-A318 PolarHBondContact O-N 3.28Å; Q316-A318 VanDerWaalsContact O-N 3.14Å
319H44Very low62.5Low127 Ų127109.9 Ų109.959%0.58859%0.589SS**SBendtrans-154.612171.7-141.8-58.1000117.5
320L53.6Low60.1Low147 Ų147115.5 Ų115.577%0.7761%0.611SS**SBendtrans-111-13.1-177.5-71.1173.8000115
321S51Low57.9Low76 Ų76121.2 Ų121.253%0.53165%0.646SS.*Hα-helixtrans-60.1-51.2171.534.40000112.4R323 A324S321-R323 PolarHBondContact O-N 3.19Å; S321-A324 PolarHBondContact O-N 2.89Å
322D52.3Low55.2Low123 Ų123121.8 Ų121.866%0.65866%0.658SS**Hα-helixtrans-771.5-166.1-54.6-77.3000114.9
323R52.6Low52.8Low203 Ų203129.8 Ų129.877%0.76669%0.687SS**Hα-helixtrans-115-7.7169.7-73.2-169.4171.5108-0.7114.2S321S321-R323 PolarHBondContact O-N 3.19Å
324A53.4Low50.4Low72 Ų72138.6 Ų138.660%0.59572%0.715SS**Hα-helixtrans-86.7-27.8175.700000112.9S321 R326S321-A324 PolarHBondContact O-N 2.89Å; A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.48Å
325G47.8Very low48.9Very low66 Ų66142.5 Ų142.568%0.6873%0.73SS**THydrogen-bonded Turntrans-8428.8-174.600000116.9
326R49.2Very low48Very low229 Ų229149.3 Ų149.386%0.86474%0.744SS**THydrogen-bonded Turntrans-137.217.1-173.7-90.6-173.8173.91611.3116.3A324A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.48Å
327S48.3Very low47.3Very low102 Ų102145.6 Ų145.671%0.71375%0.748SS**SBendtrans-123.5-0.5-171.855.60000117.3
328D49.3Very low46.9Very low116 Ų116147.5 Ų147.562%0.6275%0.747SS**  trans-120.63.1-177.9-127.7-36.3000115.7R330 T331D328-R330 PolarHBondContact O-N 3.47Å; D328-T331 PolarHBondContact O-OG1 3.46Å; D328-T331 VanDerWaalsContact O-OG1 3.06Å; D328-T331 WeakPolarHBondContact OD1-CG2 3.38Å; D328-T331 PolarHBondContact OD1-OG1 3.02Å
329E45Very low46.8Very low192 Ų192150.5 Ų150.590%0.89775%0.752SS**THydrogen-bonded Turntrans-77.744.9170.1-70.1-172.710200112.8
330R47.3Very low46.9Very low237 Ų237148.4 Ų148.489%0.89475%0.752SS**THydrogen-bonded Turntrans-140.7-1.4172.7-131.6177.9-169.5176.85.3114.8D328 G332D328-R330 PolarHBondContact O-N 3.47Å; R330-G332 PolarHBondContact O-N 3.24Å
331T49.7Very low46.8Very low121 Ų121145.7 Ų145.774%0.74275%0.746SS**SBendtrans-9022.1172.946.90000112.4D328D328-T331 PolarHBondContact O-OG1 3.46Å; D328-T331 VanDerWaalsContact O-OG1 3.06Å; D328-T331 WeakPolarHBondContact OD1-CG2 3.38Å; D328-T331 PolarHBondContact OD1-OG1 3.02Å
332G39.8Very low46.4Very low53 Ų53151 Ų15155%0.54676%0.759SS.*SBendtrans-147.9159.3172.800000111.2R330R330-G332 PolarHBondContact O-N 3.24Å
333Y42.5Very low45.9Very low237 Ų237151.7 Ų151.793%0.92976%0.758SS**SBendtrans5075.8177.1-77.6-88.5000117.1
334R42.6Very low45.5Very low233 Ų233148.8 Ų148.888%0.87976%0.758SS**  -152.762.6118.6-74.5-142.2176.9-174.2-0.5112.2R336R334-R336 PolarHBondContact O-N 3.04Å
335K46.4Very low45Very low216 Ų216153.9 Ų153.994%0.93976%0.762SS**  trans-74.970.4160-167.6-178.9-178-176.70109.3
336R46.8Very low44.7Very low222 Ų222160.2 Ų160.284%0.83877%0.774SS**  trans-131.8134170.6-74-172.6178.61632.2107.8R334R334-R336 PolarHBondContact O-N 3.04Å
337G38.2Very low44.4Very low80 Ų80160.2 Ų160.283%0.82577%0.773SS**  trans-65.6142.7-165.600000113.2
338H41.7Very low44.3Very low169 Ų169159.8 Ų159.878%0.78277%0.77SS**  trans-95.487.4147.4-145.8-83000106.4S340H338-S340 VanDerWaalsContact C-N 3.34Å; H338-S340 WeakPolarHBondContact ND1-CB 3.16Å; H338-S340 PolarHBondContact ND1-OG 3.19Å; H338-S340 PolarHBondContact O-N 3.45Å; H338-S340 VanDerWaalsContact O-N 3.17Å
339D41.4Very low44.3Very low139 Ų139161.8 Ų161.874%0.74378%0.776SS**  trans-70.4103.9155.9179.62.4000106.3S341D339-S341 PolarHBondContact OD1-N 2.74Å; D339-S341 PolarHBondContact OD1-OG 3.21Å
340S47.2Very low44.4Very low84 Ų84159.9 Ų159.959%0.58777%0.772SS**  trans-135.666.616154.10000106.8H338H338-S340 VanDerWaalsContact C-N 3.34Å; H338-S340 WeakPolarHBondContact ND1-CB 3.16Å; H338-S340 PolarHBondContact ND1-OG 3.19Å; H338-S340 PolarHBondContact O-N 3.45Å; H338-S340 VanDerWaalsContact O-N 3.17Å
341S50.3Low44.2Very low90 Ų90157.9 Ų157.963%0.62976%0.764SS**  trans-32136.3159.332.80000113.4D339D339-S341 PolarHBondContact OD1-N 2.74Å; D339-S341 PolarHBondContact OD1-OG 3.21Å
342K42.6Very low44Very low186 Ų186159.4 Ų159.481%0.80976%0.763SS**  trans26.797.6157-62.7-179.7178.1-178.40116.3
343H41.2Very low44Very low139 Ų139160 Ų16064%0.64477%0.768SS**  trans-139.675.5139.2-118-40.2000112.9R345H343-R345 PolarHBondContact CD2-NH1 2.89Å; H343-R345 PolarHBondContact CE1-NH1 3.06Å; H343-R345 PolarHBondContact ND1-NH1 3.06Å; H343-R345 PolarHBondContact NE2-NH1 2.82Å; H343-R345 PolarHBondContact O-N 3.33Å; H343-R345 VanDerWaalsContact O-N 3.09Å
344D45.6Very low44.2Very low141 Ų141157.9 Ų157.975%0.75477%0.767SS**  trans-52.4113.5146.7-55.6-72.7000107.8
345R42.3Very low44.4Very low179 Ų179152.6 Ų152.668%0.67576%0.763SS**  trans-137.379.7162.2-89.6-166.1171.8103.95.7107.1H343 R347H343-R345 PolarHBondContact CD2-NH1 2.89Å; H343-R345 PolarHBondContact CE1-NH1 3.06Å; H343-R345 PolarHBondContact ND1-NH1 3.06Å; H343-R345 PolarHBondContact NE2-NH1 2.82Å; H343-R345 PolarHBondContact O-N 3.33Å; H343-R345 VanDerWaalsContact O-N 3.09Å; R345-R347 PolarHBondContact O-N 2.79Å
346E42.2Very low44.5Very low200 Ų200147.2 Ų147.294%0.93575%0.752SS**  trans-47.9106.8160.6-61.7178.9140.600108.2
347R42.2Very low44.4Very low228 Ų228145.9 Ų145.986%0.8675%0.753SS**  trans-152.472.9-179.4-160.3177.7-164.51676.9111.9R345R345-R347 PolarHBondContact O-N 2.79Å
348S45.9Very low44.5Very low93 Ų93146.6 Ų146.665%0.6574%0.741SS**SBendtrans-170.7153.3132.650.20000112.1
349H49.4Very low44.8Very low159 Ų159148.5 Ų148.574%0.73674%0.743SS**  trans68.9111.4164.3-50.7-57000118.8
350N46.9Very low45.2Very low151 Ų151147.6 Ų147.681%0.80774%0.742SS**  trans81.2141.9149-52.5-18.6000117.6
351R42.5Very low44.8Very low196 Ų196150 Ų15074%0.7475%0.749SS**  cis-170.4146.2-14.9170.9166.6172.6171.6-2.8109.1
352E46Very low44.7Very low153 Ų153150.2 Ų150.272%0.71575%0.75SS**  trans64.8123.4166.9-75.3150.2-165.600119.9
353G39.3Very low45.3Very low64 Ų64147.2 Ų147.266%0.6675%0.748SS**  trans80.9140.4157.800000118.5
354H48Very low45.5Very low194 Ų194148.1 Ų148.190%0.89875%0.752SS**  cis-147.8152.9-16.7-83.4-82.3000109.3
355P47.4Very low45.7Very low122 Ų122150.7 Ų150.779%0.79276%0.759SS**  trans-107.3151.7-172.238.5-32.7000115
356S47Very low46Very low103 Ų103149.1 Ų149.172%0.7276%0.764SS**  trans-168.5125.9150.759.10000114.9
357K44.3Very low46Very low194 Ų194151 Ų15184%0.84376%0.763SS**  trans65143.5143.6-62-177.1176.1178.50118.8
358T41Very low46.2Very low95 Ų95145.8 Ų145.858%0.58376%0.756SS**  cis-167.9151.7-4.8140000109.8
359Y48.4Very low46.3Very low209 Ų209150.6 Ų150.682%0.8277%0.765SS**  trans47.5140.4153.3-50.9-51.6000118.7
360T48.9Very low46.2Very low119 Ų119151 Ų15173%0.7377%0.767SS**  cis-166.3172.210.320000106.4
361D39.5Very low46.2Very low136 Ų136151.5 Ų151.573%0.72777%0.77SS**  cis-153-156.46-146.2-62.5000110.5
362S48.8Very low46.7Very low93 Ų93147.8 Ų147.865%0.6577%0.774SS**  trans-67.9173.8173.4-47.30000113.6
363T53.9Low46.8Very low124 Ų124143.7 Ų143.776%0.76177%0.773SS**  cis-147.9159.819.3-47.90000111.9
364E46.5Very low47.4Very low157 Ų157150.6 Ų150.673%0.73479%0.785SS**  trans-62.8156.8170.3-41.7174.8111.400113.7
365H50.4Low47.6Very low195 Ų195150.1 Ų150.190%0.90378%0.78SS**  trans-155.7104.4140.7-88.4-34.4000112.8
366N48.3Very low47.5Very low146 Ų146153.2 Ų153.278%0.78178%0.784SS**  trans-92.5133.8161.6-81.7-68.5000110.1
367R41.9Very low47.7Very low241 Ų241153.2 Ų153.291%0.90979%0.79SS**  trans-173.2107.5144.6-107.7157.8-175.71452.4116
368V47.1Very low48Very low117 Ų117149.1 Ų149.171%0.70979%0.786SS**  28.3114.8129.9-170.90000120.1E370V368-E370 HydrophobicContact CG1-CG 4.06Å
369K47.8Very low48.6Very low195 Ų195153 Ų15385%0.84880%0.797SS**  -168.6105.5125.4-115.8171.1174.7177.10108.6
370E47.1Very low48.7Very low168 Ų168148.3 Ų148.379%0.78579%0.786SS**  73.3116.375.7-72.6-167.6147.100115.9V368V368-E370 HydrophobicContact CG1-CG 4.06Å
371D46Very low48.8Very low160 Ų160150.4 Ų150.486%0.85679%0.787SS**  trans38106.4155-156.811.4000121.3
372S52.6Low49.3Very low118 Ų118152.7 Ų152.783%0.82579%0.791SS**  trans-155.9158.3136.964.20000111.7
373G48.6Very low49.4Very low68 Ų68157.4 Ų157.470%0.70180%0.795SS**  trans99.549.5152.700000119.1K375G373-K375 PolarHBondContact O-N 3.39Å
374K53Low49.3Very low208 Ų208154.9 Ų154.990%0.90478%0.779SS**  trans-48.6111.2163.7-72.4170.6179.5164.60112.1
375K50.4Low49.7Very low184 Ų184152.7 Ų152.780%0.877%0.769SS**  trans-164.2173.7163-98.2133.8-171.2179.50110G373G373-K375 PolarHBondContact O-N 3.39Å
376H45Very low50Low188 Ų188147.6 Ų147.687%0.8775%0.748SS**  trans72.841.3176.3-46.1-74.5000118.5
377A51.8Low50.5Low102 Ų102150.6 Ų150.684%0.84375%0.748SS**  trans-93.7-4.8172.800000115.5
378S51.1Low51.8Low109 Ų109143.5 Ų143.576%0.76273%0.725SS**SBendtrans-105.125.5-159.454.60000116.4
379H52.6Low52.7Low175 Ų175141.7 Ų141.781%0.8171%0.709SS**SBendtrans-131.618.3-169.5-109.656.5000117.5
380N50.9Low53.8Low111 Ų111137.9 Ų137.959%0.59469%0.694SS**  trans-111.6-11.4180-82.2-47.5000116.4F382 R383 T384N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.34Å; N380-R383 PolarHBondContact O-N 2.84Å; N380-T384 PolarHBondContact O-N 2.92Å
381H50.6Low55.1Low163 Ų163132.5 Ų132.576%0.75568%0.675SS**Hα-helixtrans-67.1-23.4-173.4-90.8-65.3000115.7T384H381-T384 WeakPolarHBondContact CA-OG1 3.2Å; H381-T384 PolarHBondContact O-OG1 2.74Å
382F50.1Low56.6Low184 Ų184130.2 Ų130.281%0.80765%0.654SS**Hα-helixtrans-67.6-42173.8-120.9-91.1000111.7N380 T384 H385 D386N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.34Å; F382-T384 VanDerWaalsContact C-N 3.29Å; F382-T384 PolarHBondContact O-N 2.57Å; F382-H385 PolarHBondContact O-N 2.87Å; F382-H385 VanDerWaalsContact O-N 3.13Å; F382-D386 PolarHBondContact O-N 2.77Å
383R51.6Low57.9Low193 Ų193127.6 Ų127.673%0.72863%0.631SS**Hα-helixtrans-68.6-23.2-179.9-80.7179163.5172.7-6.1113.9N380 H385N380-R383 PolarHBondContact O-N 2.84Å; R383-H385 VanDerWaalsContact C-N 3.35Å
384T52.4Low59.4Low71 Ų71133.1 Ų133.144%0.43663%0.63SS.*Hα-helixtrans-71.3-30.8172.544.40000112.5N380 H381 F382 Q388N380-T384 PolarHBondContact O-N 2.92Å; H381-T384 WeakPolarHBondContact CA-OG1 3.2Å; H381-T384 PolarHBondContact O-OG1 2.74Å; F382-T384 VanDerWaalsContact C-N 3.29Å; F382-T384 PolarHBondContact O-N 2.57Å; T384-Q388 PolarHBondContact O-N 3.26Å
385H53.9Low60.7Low111 Ų111127.3 Ų127.351%0.51461%0.606SS.*Hα-helixtrans-76-44.2-177.4-137.3-85.8000112F382 R383 R387 Q388 E389F382-H385 PolarHBondContact O-N 2.87Å; F382-H385 VanDerWaalsContact O-N 3.13Å; R383-H385 VanDerWaalsContact C-N 3.35Å; H385-R387 PolarHBondContact O-N 2.77Å; H385-Q388 PolarHBondContact O-N 3.22Å; H385-Q388 VanDerWaalsContact O-N 3.1Å; H385-E389 PolarHBondContact O-N 3.38Å
386D57.8Low62.3Low87 Ų87125.3 Ų125.347%0.46559%0.594SS.*Hα-helixtrans-53.9-41.5171.9-79-31.5000112F382 Q388 E389 H390F382-D386 PolarHBondContact O-N 2.77Å; D386-Q388 VanDerWaalsContact C-N 3.31Å; D386-Q388 PolarHBondContact O-N 3.37Å; D386-E389 PolarHBondContact O-N 3.5Å; D386-H390 WeakPolarHBondContact O-CB 3.45Å; D386-H390 PolarHBondContact O-CD2 2.57Å; D386-H390 VanDerWaalsContact O-CG 3.26Å; D386-H390 PolarHBondContact O-N 3.3Å
387R58.9Low64.2Low210 Ų210120.9 Ų120.979%0.79258%0.575SS**Hα-helixtrans-67.7-31.5-178.7-149.2174-165.2170.84112.5H385 S391H385-R387 PolarHBondContact O-N 2.77Å; R387-S391 PolarHBondContact O-N 2.81Å
388Q68.4Low65.7Low92 Ų92120.4 Ų120.443%0.4355%0.552SS.*Hα-helixtrans-82.1-35.3173.8-69.3-173.42.900113.1T384 H385 D386 S391 R392T384-Q388 PolarHBondContact O-N 3.26Å; H385-Q388 PolarHBondContact O-N 3.22Å; H385-Q388 VanDerWaalsContact O-N 3.1Å; D386-Q388 VanDerWaalsContact C-N 3.31Å; D386-Q388 PolarHBondContact O-N 3.37Å; Q388-S391 PolarHBondContact O-OG 2.99Å; Q388-R392 WeakPolarHBondContact O-CB 3.48Å; Q388-R392 WeakPolarHBondContact O-CD 3.42Å; Q388-R392 WeakPolarHBondContact O-CG 3.39Å; Q388-R392 PolarHBondContact O-N 3.29Å; Q388-R392 VanDerWaalsContact OE1-NH2 3.14Å
389E65.7Low67.2Low78 Ų78118.1 Ų118.136%0.36453%0.531SS..Hα-helixtrans-58.8-53.1170.5-81.8-74.2110.600110.2H385 D386 S391 R392 I393H385-E389 PolarHBondContact O-N 3.38Å; D386-E389 PolarHBondContact O-N 3.5Å; E389-S391 VanDerWaalsContact C-N 3.34Å; E389-S391 PolarHBondContact O-N 3.48Å; E389-R392 PolarHBondContact O-N 3.49Å; E389-I393 WeakPolarHBondContact O-CB 3.5Å; E389-I393 WeakPolarHBondContact O-CD1 3.48Å; E389-I393 VanDerWaalsContact O-CG1 3.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.39Å; E389-I393 PolarHBondContact O-N 3.23Å
390H71.8Confident68.6Low115 Ų115116.2 Ų116.253%0.53252%0.517SS..Hα-helixtrans-65-32.1-179.4-67.5-27000113.5D386 R394D386-H390 WeakPolarHBondContact O-CB 3.45Å; D386-H390 PolarHBondContact O-CD2 2.57Å; D386-H390 VanDerWaalsContact O-CG 3.26Å; D386-H390 PolarHBondContact O-N 3.3Å; H390-R394 WeakPolarHBondContact O-CB 3.39Å; H390-R394 WeakPolarHBondContact O-CG 3.37Å; H390-R394 PolarHBondContact O-N 3.46Å
391S74.1Confident69.9Low55 Ų55116.4 Ų116.439%0.38551%0.514SS..Hα-helixtrans-67.3-49.8172.367.50000110.9R387 Q388 E389 I393 R394 E395R387-S391 PolarHBondContact O-N 2.81Å; Q388-S391 PolarHBondContact O-OG 2.99Å; E389-S391 VanDerWaalsContact C-N 3.34Å; E389-S391 PolarHBondContact O-N 3.48Å; S391-I393 PolarHBondContact O-N 2.87Å; S391-R394 PolarHBondContact O-N 3.21Å; S391-R394 VanDerWaalsContact O-N 3.16Å; S391-E395 WeakPolarHBondContact O-CB 3.37Å; S391-E395 PolarHBondContact O-N 3.06Å
392R77.6Confident71.3Confident112 Ų112113.9 Ų113.942%0.42350%0.498SS..Hα-helixtrans-61.4-26.8175.8-67.7169-173.7144.87.1113.7Q388 E389 R396Q388-R392 WeakPolarHBondContact O-CB 3.48Å; Q388-R392 WeakPolarHBondContact O-CD 3.42Å; Q388-R392 WeakPolarHBondContact O-CG 3.39Å; Q388-R392 PolarHBondContact O-N 3.29Å; Q388-R392 VanDerWaalsContact OE1-NH2 3.14Å; E389-R392 PolarHBondContact O-N 3.49Å; R392-R396 WeakPolarHBondContact O-CG 3.42Å; R392-R396 PolarHBondContact O-N 2.8Å; R392-R396 PolarHBondContact O-NE 2.86Å
393I80.6Confident72.5Confident64 Ų64111.4 Ų111.433%0.32849%0.489SS..Hα-helixtrans-77.6-46.6173.7-69.6164000110.4E389 S391 E395 R396 I397E389-I393 WeakPolarHBondContact O-CB 3.5Å; E389-I393 WeakPolarHBondContact O-CD1 3.48Å; E389-I393 VanDerWaalsContact O-CG1 3.22Å; E389-I393 WeakPolarHBondContact O-CG1 3.39Å; E389-I393 PolarHBondContact O-N 3.23Å; S391-I393 PolarHBondContact O-N 2.87Å; I393-E395 VanDerWaalsContact C-N 3.25Å; I393-E395 PolarHBondContact O-N 3.2Å; I393-R396 PolarHBondContact O-N 2.98Å; I393-I397 HydrophobicContact CG2-CD1 3.88Å; I393-I397 VanDerWaalsContact O-CG1 3.3Å; I393-I397 WeakPolarHBondContact O-CG1 3.31Å; I393-I397 PolarHBondContact O-N 2.79Å
394R79.6Confident73.5Confident184 Ų184110.2 Ų110.269%0.69448%0.484SS*.Hα-helixtrans-61.2-34.4173-75.9-174.5177.8-155.60.2112.2H390 S391 R398H390-R394 WeakPolarHBondContact O-CB 3.39Å; H390-R394 WeakPolarHBondContact O-CG 3.37Å; H390-R394 PolarHBondContact O-N 3.46Å; S391-R394 PolarHBondContact O-N 3.21Å; S391-R394 VanDerWaalsContact O-N 3.16Å; R394-R398 WeakPolarHBondContact O-CB 3.4Å; R394-R398 WeakPolarHBondContact O-CG 3.14Å; R394-R398 PolarHBondContact O-N 3.28Å
395E80.2Confident74.2Confident85 Ų85110.9 Ų110.940%0.39749%0.488SS..Hα-helixtrans-57.9-62171.8-150.994.3-93.900110.4S391 I393 I397 R398 D399S391-E395 WeakPolarHBondContact O-CB 3.37Å; S391-E395 PolarHBondContact O-N 3.06Å; I393-E395 VanDerWaalsContact C-N 3.25Å; I393-E395 PolarHBondContact O-N 3.2Å; E395-I397 PolarHBondContact O-N 3.23Å; E395-I397 VanDerWaalsContact O-N 3.12Å; E395-R398 CarbonylContact O-C 3.52Å; E395-R398 WeakPolarHBondContact O-CA 3.46Å; E395-R398 WeakPolarHBondContact O-CB 3.47Å; E395-R398 PolarHBondContact O-N 3.17Å; E395-R398 IonicContact OE1-CZ 3.99Å; E395-R398 IonicContact OE1-NH1 2.66Å; E395-R398 PolarHBondContact OE1-NH1 3.24Å; E395-R398 IonicContact OE1-NH2 3.1Å; E395-R398 PolarHBondContact OE1-NH2 3.2Å; E395-D399 PolarHBondContact O-N 3.31Å
396R84.7Confident74.6Confident142 Ų142113.2 Ų113.254%0.53649%0.493SS..Hα-helixtrans-57.6-29.7179.3-76.4178.5-73.2172.6-5113.9R392 I393 R400R392-R396 WeakPolarHBondContact O-CG 3.42Å; R392-R396 PolarHBondContact O-N 2.8Å; R392-R396 PolarHBondContact O-NE 2.86Å; I393-R396 PolarHBondContact O-N 2.98Å; R396-R400 VanDerWaalsContact O-CB 3.23Å; R396-R400 WeakPolarHBondContact O-CB 3.38Å; R396-R400 PolarHBondContact O-N 3.26Å; R396-R400 VanDerWaalsContact O-N 3.1Å
397I84.1Confident74.8Confident95 Ų95110.4 Ų110.449%0.48748%0.484SS..Hα-helixtrans-71-50.7172.8-68.7166.8000110.4I393 E395 D399 R400 E401I393-I397 HydrophobicContact CG2-CD1 3.88Å; I393-I397 VanDerWaalsContact O-CG1 3.3Å; I393-I397 WeakPolarHBondContact O-CG1 3.31Å; I393-I397 PolarHBondContact O-N 2.79Å; E395-I397 PolarHBondContact O-N 3.23Å; E395-I397 VanDerWaalsContact O-N 3.12Å; I397-D399 VanDerWaalsContact C-N 3.29Å; I397-D399 PolarHBondContact O-N 3.32Å; I397-R400 PolarHBondContact O-N 2.85Å; I397-E401 WeakPolarHBondContact O-CB 3.41Å; I397-E401 PolarHBondContact O-N 3.06Å
398R82.5Confident74.8Confident93 Ų93103.9 Ų103.935%0.35147%0.471SS..Hα-helixtrans-58.3-39.9175.8-77.3-174-81.997.2-12.2112.1R394 E395 E401 R402R394-R398 WeakPolarHBondContact O-CB 3.4Å; R394-R398 WeakPolarHBondContact O-CG 3.14Å; R394-R398 PolarHBondContact O-N 3.28Å; E395-R398 CarbonylContact O-C 3.52Å; E395-R398 WeakPolarHBondContact O-CA 3.46Å; E395-R398 WeakPolarHBondContact O-CB 3.47Å; E395-R398 PolarHBondContact O-N 3.17Å; E395-R398 IonicContact OE1-CZ 3.99Å; E395-R398 IonicContact OE1-NH1 2.66Å; E395-R398 PolarHBondContact OE1-NH1 3.24Å; E395-R398 IonicContact OE1-NH2 3.1Å; E395-R398 PolarHBondContact OE1-NH2 3.2Å; R398-E401 PolarHBondContact O-N 3.13Å; R398-R402 WeakPolarHBondContact O-CB 3.22Å; R398-R402 WeakPolarHBondContact O-CD 3.44Å; R398-R402 WeakPolarHBondContact O-CG 3.17Å; R398-R402 PolarHBondContact O-N 2.79Å
399D82.3Confident74.2Confident60 Ų60109 Ų10932%0.32149%0.486SS..Hα-helixtrans-70.2-43.2179.4-65.6-37.6000112E395 I397 E401 R402 E403E395-D399 PolarHBondContact O-N 3.31Å; I397-D399 VanDerWaalsContact C-N 3.29Å; I397-D399 PolarHBondContact O-N 3.32Å; D399-E401 PolarHBondContact O-N 2.92Å; D399-R402 CarbonylContact O-C 3.58Å; D399-R402 WeakPolarHBondContact O-CB 3.49Å; D399-R402 PolarHBondContact O-N 3.5Å; D399-R402 WeakPolarHBondContact OD1-CD 3.34Å; D399-R402 IonicContact OD1-CZ 3.5Å; D399-R402 IonicContact OD1-NE 3.97Å; D399-R402 IonicContact OD1-NH1 2.77Å; D399-R402 PolarHBondContact OD1-NH1 3.28Å; D399-E403 WeakPolarHBondContact O-CB 3.31Å; D399-E403 WeakPolarHBondContact O-CG 3.23Å; D399-E403 PolarHBondContact O-N 3.08Å
400R81.8Confident73.8Confident136 Ų136110 Ų11051%0.51349%0.494SS..Hα-helixtrans-62.4-27.1172.3-170.4176.6-68.2155.9-3.7112.9R396 I397 R404R396-R400 VanDerWaalsContact O-CB 3.23Å; R396-R400 WeakPolarHBondContact O-CB 3.38Å; R396-R400 PolarHBondContact O-N 3.26Å; R396-R400 VanDerWaalsContact O-N 3.1Å; I397-R400 PolarHBondContact O-N 2.85Å; R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å; R400-R404 VanDerWaalsContact O-N 3.13Å
401E80.2Confident73.1Confident115 Ų115108.8 Ų108.854%0.53749%0.491SS..Hα-helixtrans-79.9-38.2174.9-166.7156-117.200112.4I397 R398 D399 E403 R404 T405I397-E401 WeakPolarHBondContact O-CB 3.41Å; I397-E401 PolarHBondContact O-N 3.06Å; R398-E401 PolarHBondContact O-N 3.13Å; D399-E401 PolarHBondContact O-N 2.92Å; E401-E403 VanDerWaalsContact C-N 3.34Å; E401-R404 PolarHBondContact O-N 3.45Å; E401-T405 WeakPolarHBondContact O-CG2 3.41Å; E401-T405 PolarHBondContact O-N 3.05Å; E401-T405 PolarHBondContact O-OG1 2.87Å
402R78.6Confident72.4Confident109 Ų109110.4 Ų110.441%0.41150%0.495SS..Hα-helixtrans-61.9-38.5167.5-69.5157.7176.9166.6-6111.8R398 D399 T405 R406R398-R402 WeakPolarHBondContact O-CB 3.22Å; R398-R402 WeakPolarHBondContact O-CD 3.44Å; R398-R402 WeakPolarHBondContact O-CG 3.17Å; R398-R402 PolarHBondContact O-N 2.79Å; D399-R402 CarbonylContact O-C 3.58Å; D399-R402 WeakPolarHBondContact O-CB 3.49Å; D399-R402 PolarHBondContact O-N 3.5Å; D399-R402 WeakPolarHBondContact OD1-CD 3.34Å; D399-R402 IonicContact OD1-CZ 3.5Å; D399-R402 IonicContact OD1-NE 3.97Å; D399-R402 IonicContact OD1-NH1 2.77Å; D399-R402 PolarHBondContact OD1-NH1 3.28Å; R402-T405 WeakPolarHBondContact CA-OG1 3.2Å; R402-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 VanDerWaalsContact O-OG1 3.1Å; R402-R406 VanDerWaalsContact O-CB 3.28Å; R402-R406 WeakPolarHBondContact O-CB 3.39Å; R402-R406 VanDerWaalsContact O-CG 3.25Å; R402-R406 WeakPolarHBondContact O-CG 3.21Å; R402-R406 PolarHBondContact O-N 2.95Å
403E76.7Confident71.3Confident132 Ų132110.3 Ų110.362%0.61750%0.5SS*.Hα-helixtrans-67.2-45.2175.3-76.7178156.800111.9D399 E401 T405 R406 G407D399-E403 WeakPolarHBondContact O-CB 3.31Å; D399-E403 WeakPolarHBondContact O-CG 3.23Å; D399-E403 PolarHBondContact O-N 3.08Å; E401-E403 VanDerWaalsContact C-N 3.34Å; E403-T405 VanDerWaalsContact C-N 3.34Å; E403-T405 PolarHBondContact O-N 3.12Å; E403-R406 PolarHBondContact O-N 3.03Å; E403-G407 PolarHBondContact O-N 3.48Å
404R71.7Confident70.2Confident168 Ų168112.1 Ų112.163%0.63451%0.509SS*.Hα-helixtrans-60.9-42.3175.6-74.3162.8179.6160.1-5.1112.4R400 E401 S408R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å; R400-R404 VanDerWaalsContact O-N 3.13Å; E401-R404 PolarHBondContact O-N 3.45Å; R404-S408 WeakPolarHBondContact O-CB 3.31Å; R404-S408 PolarHBondContact O-N 3.03Å; R404-S408 VanDerWaalsContact O-N 3.08Å
405T67.8Low69.2Low85 Ų85109.8 Ų109.852%0.52150%0.504SS..Hα-helixtrans-72.7-33178.448.30000112.8E401 R402 E403 R409E401-T405 WeakPolarHBondContact O-CG2 3.41Å; E401-T405 PolarHBondContact O-N 3.05Å; E401-T405 PolarHBondContact O-OG1 2.87Å; R402-T405 WeakPolarHBondContact CA-OG1 3.2Å; R402-T405 PolarHBondContact O-OG1 3.45Å; R402-T405 VanDerWaalsContact O-OG1 3.1Å; E403-T405 VanDerWaalsContact C-N 3.34Å; E403-T405 PolarHBondContact O-N 3.12Å; T405-R409 PolarHBondContact O-N 3.45Å
406R62.1Low68.1Low161 Ų161114.5 Ų114.561%0.60852%0.518SS*.Hα-helixtrans-70.6-43.6170.2-76.6174.8175.8138-2.4112.7R402 E403 S408 R409 L410R402-R406 VanDerWaalsContact O-CB 3.28Å; R402-R406 WeakPolarHBondContact O-CB 3.39Å; R402-R406 VanDerWaalsContact O-CG 3.25Å; R402-R406 WeakPolarHBondContact O-CG 3.21Å; R402-R406 PolarHBondContact O-N 2.95Å; E403-R406 PolarHBondContact O-N 3.03Å; R406-S408 VanDerWaalsContact C-N 3.33Å; R406-S408 PolarHBondContact O-N 2.95Å; R406-R409 WeakPolarHBondContact O-CA 3.18Å; R406-R409 WeakPolarHBondContact O-CB 3.34Å; R406-R409 PolarHBondContact O-N 2.97Å; R406-L410 WeakPolarHBondContact O-CG 3.42Å; R406-L410 PolarHBondContact O-N 3.42Å
407G61.8Low66.8Low28 Ų28112.8 Ų112.829%0.28952%0.52SS..Hα-helixtrans-56.4-46.217500000111.8E403 R409 L410 D411E403-G407 PolarHBondContact O-N 3.48Å; G407-R409 PolarHBondContact O-N 3.09Å; G407-L410 PolarHBondContact O-N 3.26Å; G407-D411 WeakPolarHBondContact O-CB 3.43Å; G407-D411 PolarHBondContact O-N 2.98Å
408S59.2Low65.4Low73 Ų73119 Ų11951%0.5154%0.537SS..Hα-helixtrans-60.6-27.9174.6-174.20000114.3R404 R406 N412R404-S408 WeakPolarHBondContact O-CB 3.31Å; R404-S408 PolarHBondContact O-N 3.03Å; R404-S408 VanDerWaalsContact O-N 3.08Å; R406-S408 VanDerWaalsContact C-N 3.33Å; R406-S408 PolarHBondContact O-N 2.95Å; S408-N412 PolarHBondContact O-ND2 2.92Å
409R56Low64Low199 Ų199125.7 Ų125.775%0.75156%0.563SS**Hα-helixtrans-77.4-50.6171.5-72.1-177.7176.5-174.2-1.1111.4T405 R406 G407 D411 N412 E413T405-R409 PolarHBondContact O-N 3.45Å; R406-R409 WeakPolarHBondContact O-CA 3.18Å; R406-R409 WeakPolarHBondContact O-CB 3.34Å; R406-R409 PolarHBondContact O-N 2.97Å; G407-R409 PolarHBondContact O-N 3.09Å; R409-D411 VanDerWaalsContact C-N 3.35Å; R409-D411 PolarHBondContact O-N 3.15Å; R409-N412 WeakPolarHBondContact O-CB 3.27Å; R409-N412 PolarHBondContact O-N 3.04Å; R409-N412 VanDerWaalsContact O-N 3.09Å; R409-E413 PolarHBondContact O-N 3.17Å
410L56.8Low62.3Low99 Ų99126.1 Ų126.152%0.51858%0.581SS.*Hα-helixtrans-62.2-38.1-179.5-66.9173.6000112.6R406 G407 N412 E413 L414R406-L410 WeakPolarHBondContact O-CG 3.42Å; R406-L410 PolarHBondContact O-N 3.42Å; G407-L410 PolarHBondContact O-N 3.26Å; L410-N412 VanDerWaalsContact C-N 3.31Å; L410-N412 PolarHBondContact O-N 2.93Å; L410-E413 PolarHBondContact O-N 3.05Å; L410-L414 WeakPolarHBondContact O-CB 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.31Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 3.45Å
411D57.3Low60.9Low89 Ų89125 Ų12548%0.47659%0.594SS.*Hα-helixtrans-63.1-35.8174.1-87.1-30.2000112.5G407 R409 K415G407-D411 WeakPolarHBondContact O-CB 3.43Å; G407-D411 PolarHBondContact O-N 2.98Å; R409-D411 VanDerWaalsContact C-N 3.35Å; R409-D411 PolarHBondContact O-N 3.15Å; D411-K415 VanDerWaalsContact O-CB 3.25Å; D411-K415 WeakPolarHBondContact O-CB 3.47Å; D411-K415 VanDerWaalsContact O-CD 3.28Å; D411-K415 WeakPolarHBondContact O-CD 3.49Å; D411-K415 WeakPolarHBondContact O-CG 3.48Å; D411-K415 PolarHBondContact O-N 2.88Å; D411-K415 VanDerWaalsContact O-N 3.12Å
412N58.2Low59.6Low89 Ų89125.1 Ų125.148%0.47661%0.607SS.*Hα-helixtrans-73.4-33.7175-87.7-52.8000112S408 R409 L410 R416S408-N412 PolarHBondContact O-ND2 2.92Å; R409-N412 WeakPolarHBondContact O-CB 3.27Å; R409-N412 PolarHBondContact O-N 3.04Å; R409-N412 VanDerWaalsContact O-N 3.09Å; L410-N412 VanDerWaalsContact C-N 3.31Å; L410-N412 PolarHBondContact O-N 2.93Å; N412-R416 VanDerWaalsContact O-CG 3.25Å; N412-R416 WeakPolarHBondContact O-CG 3.43Å; N412-R416 PolarHBondContact O-N 2.88Å
413E55.4Low58Low110 Ų110123.6 Ų123.651%0.51463%0.626SS.*Hα-helixtrans-73.6-45.4178.7-161.2146.2-133.300111.5R409 L410 K415 R416 N417R409-E413 PolarHBondContact O-N 3.17Å; L410-E413 PolarHBondContact O-N 3.05Å; E413-K415 VanDerWaalsContact C-N 3.31Å; E413-K415 PolarHBondContact O-N 2.94Å; E413-R416 PolarHBondContact O-N 2.89Å; E413-R416 VanDerWaalsContact O-N 3.14Å; E413-N417 PolarHBondContact O-N 2.71Å; E413-N417 PolarHBondContact O-OD1 3.2Å
414L58Low56.7Low102 Ų102122.1 Ų122.153%0.53463%0.63SS.*Hα-helixtrans-61.2-36.3171.8-71.8166.1000112.3L410 R418L410-L414 WeakPolarHBondContact O-CB 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.31Å; L410-L414 WeakPolarHBondContact O-CG 3.46Å; L410-L414 PolarHBondContact O-N 3.45Å; L414-R418 WeakPolarHBondContact O-CB 3.44Å; L414-R418 WeakPolarHBondContact O-CG 3.41Å; L414-R418 PolarHBondContact O-N 2.99Å
415K58.6Low55.8Low135 Ų135120.2 Ų120.259%0.58764%0.639SS**Hα-helixtrans-73.6-25.6174.7-76.3168.7-172.8159.10113.8D411 E413D411-K415 VanDerWaalsContact O-CB 3.25Å; D411-K415 WeakPolarHBondContact O-CB 3.47Å; D411-K415 VanDerWaalsContact O-CD 3.28Å; D411-K415 WeakPolarHBondContact O-CD 3.49Å; D411-K415 WeakPolarHBondContact O-CG 3.48Å; D411-K415 PolarHBondContact O-N 2.88Å; D411-K415 VanDerWaalsContact O-N 3.12Å; E413-K415 VanDerWaalsContact C-N 3.31Å; E413-K415 PolarHBondContact O-N 2.94Å
416R55.8Low55Low184 Ų184124.3 Ų124.369%0.69465%0.65SS**Hα-helixtrans-73.3-51170-74.8167.3-174.1-169.20.5110.4N412 E413 R418 R419N412-R416 VanDerWaalsContact O-CG 3.25Å; N412-R416 WeakPolarHBondContact O-CG 3.43Å; N412-R416 PolarHBondContact O-N 2.88Å; E413-R416 PolarHBondContact O-N 2.89Å; E413-R416 VanDerWaalsContact O-N 3.14Å; R416-R418 VanDerWaalsContact C-N 3.33Å; R416-R418 PolarHBondContact O-N 3.01Å; R416-R419 PolarHBondContact O-N 2.83Å
417N58.1Low54.4Low107 Ų107121.8 Ų121.857%0.57266%0.664SS**Hα-helixtrans-65.9-34.5-175.6-63.90.8000112E413 R419 G420E413-N417 PolarHBondContact O-N 2.71Å; E413-N417 PolarHBondContact O-OD1 3.2Å; N417-R419 PolarHBondContact O-N 2.87Å; N417-G420 PolarHBondContact O-N 2.82Å
418R55.1Low53.7Low225 Ų225124.1 Ų124.185%0.84968%0.676SS**THydrogen-bonded Turntrans-73.41.1171.4-72.3-175174.9-173.1-0.6115.3L414 R416L414-R418 WeakPolarHBondContact O-CB 3.44Å; L414-R418 WeakPolarHBondContact O-CG 3.41Å; L414-R418 PolarHBondContact O-N 2.99Å; R416-R418 VanDerWaalsContact C-N 3.33Å; R416-R418 PolarHBondContact O-N 3.01Å
419R52Low53.3Low234 Ų234128.7 Ų128.788%0.88369%0.689SS**THydrogen-bonded Turntrans-115.49.3173.2-83.9-172.1166.7-168.2-4.1113.9R416 N417R416-R419 PolarHBondContact O-N 2.83Å; N417-R419 PolarHBondContact O-N 2.87Å
420G46.7Very low52.8Low68 Ų68124 Ų12470%0.70169%0.686SS**SBendtrans-149.739.2-174.500000115N417N417-G420 PolarHBondContact O-N 2.82Å
421S52.7Low52.8Low114 Ų114125.9 Ų125.980%0.79770%0.702SS**  trans-156.574.9171.6-174.30000112.8
422S52.9Low52.5Low116 Ų116128.9 Ų128.981%0.81172%0.718SS**  trans-111.3138.7160.153.40000108.2
423G45.7Very low51.9Low78 Ų78136.3 Ų136.380%0.80474%0.74SS**  trans-53.6164.7-167.300000116.6
424S49.1Very low51.6Low100 Ų100136.4 Ų136.470%0.69975%0.75SS**  cis-13914436.1177.40000114.4F426S424-F426 PolarHBondContact OG-N 2.87Å
425P52.7Low51Low128 Ų128143.1 Ų143.183%0.83177%0.768SS**  trans-99.613.4172.140-34.9000114.4
426F51.8Low50.8Low171 Ų171142.5 Ų142.575%0.7578%0.781SS**  trans-129.7102.4-175.9-124-96.3000112.2S424S424-F426 PolarHBondContact OG-N 2.87Å
427A48.9Very low50.5Low109 Ų109139.3 Ų139.390%0.90178%0.784SS**  trans-158.161.4175.600000111.1
428S46Very low50.1Low76 Ų76142 Ų14253%0.53180%0.797SS.*  trans-104.3166.6173.349.80000111.5
429H51.4Low50Low170 Ų170138.1 Ų138.179%0.78780%0.799SS**  trans90.7106174.8-49.193.1000118.1
430S46.7Very low49.8Very low99 Ų99130.2 Ų130.269%0.69279%0.79SS**  trans58.3111.9132.2-1590000120.5
431T55.4Low50Low140 Ų140132.3 Ų132.386%0.85979%0.794SS**  -162.3158.3101.315.40000111.7
432N51.1Low49.6Very low152 Ų152138 Ų13881%0.81380%0.798SS**  trans-88.4135-173.3-59.8-72.4000112.8
433R45.4Very low49.5Very low245 Ų245143.5 Ų143.593%0.92580%0.803SS**  -174.1152120.3-103.4171.5177.7-151.2-2.5113.1
434P49.7Very low49.9Very low112 Ų112151.2 Ų151.273%0.72781%0.808SS**  trans-113.5166.9-169.442-34.5000115.9
435R46.3Very low50Low243 Ų243157.8 Ų157.892%0.91782%0.817SS**  trans57.1105.5153.7-71.9178.6174.9-162.8-1119.8
436S52.5Low50.5Low122 Ų122157.5 Ų157.585%0.85382%0.815SS**  -162.7139111.657.70000111.3
437P49.9Very low50.7Low116 Ų116154.5 Ų154.575%0.75382%0.815SS**  trans-121.3126.5171.435.7-23.7000112.6
438L50.3Low51.5Low164 Ų164155.2 Ų155.286%0.85981%0.811SS**  trans-173.5146159.9-109.9157.4000113.1
439T53Low52.6Low144 Ų144157.8 Ų157.888%0.88383%0.826SS**  trans64.5172174.978.30000116.3
440G47.7Very low52.4Low68 Ų68155.6 Ų155.670%0.70183%0.829SS**  trans136.212.416300000121.7
441S50.4Low52.3Low112 Ų112155.3 Ų155.378%0.78383%0.833SS**  trans66.7167.3170.8-1600000117.9
442R45.8Very low52.1Low232 Ų232159.6 Ų159.688%0.87583%0.834SS**  trans-126.5122.2-176.3-50.6173-164.2160.94.6110.2
443Y49.4Very low52.3Low232 Ų232158.8 Ų158.891%0.9183%0.834SS**  trans-103.295.4163.8-80.6-81.5000110.6
444R54.7Low52.4Low241 Ų241150.7 Ų150.791%0.90983%0.827SS**PPolyproline II helixtrans-83.4136.7165.6-97.1-169.6174.4-166-0.3110
445R51.6Low52.8Low238 Ų238151.2 Ų151.290%0.89883%0.831SS**PPolyproline II helixtrans-67.2127.3-179.5-166.5173.9-173.1-120.18111
446P62.3Low53.1Low121 Ų121149.5 Ų149.579%0.78683%0.83SS**PPolyproline II helixtrans-69.4152.8177.9-20.433.2000113.6
447S55.3Low52.9Low108 Ų108154 Ų15476%0.75583%0.828SS**PPolyproline II helixtrans-103.1149.8168-56.80000110.4
448P66.9Low53.3Low124 Ų124154.2 Ų154.281%0.80583%0.83SS**PPolyproline II helixtrans-72.7134.6178.529.6-34.1000111.5
449P67.9Low53Low130 Ų130157 Ų15784%0.84483%0.829SS**PPolyproline II helixtrans-78.6149.9176.732.1-34.6000112.1
450S48Very low52.9Low124 Ų124154.8 Ų154.887%0.86782%0.819SS**PPolyproline II helixtrans-101.2164.4174.4-163.70000112.2
451A45.7Very low53.1Low94 Ų94160 Ų16078%0.77783%0.825SS**PPolyproline II helixtrans-62.5144.3-159.900000116.8
452R49.4Very low53Low229 Ų229160.1 Ų160.186%0.86483%0.826SS**  trans-159158.2146.4-128.9178.8173-164.8-3.6113.8
453T56.2Low53.6Low135 Ų135155 Ų15583%0.82882%0.823SS**  trans54.8115.4162.253.30000119.4
454G47.2Very low53.6Low75 Ų75153.6 Ų153.677%0.77382%0.821SS**  trans-117.2156.3158.700000111.7
455P58.7Low53.4Low124 Ų124146.3 Ų146.381%0.80581%0.813SS**  trans-108.2141.2-177.937.5-30.8000115.9
456K52.4Low53.2Low206 Ų206145 Ų14590%0.89681%0.813SS**  trans10.3132.2151.7-58.3178.1-179.5178.30120.7
457R47.5Very low52.6Low217 Ų217146.8 Ų146.882%0.81982%0.815SS**  trans-76.5155.4162.8-56.9170.165.3-167.97112.6
458P58Low52.3Low121 Ų121151 Ų15179%0.78682%0.823SS**  trans-94.6169.5146.434.4-28.7000112.6
459R45.4Very low51.6Low223 Ų223150 Ų15084%0.84282%0.819SS**  trans-136136.3175.8-56.415978.8177.56.9108.4
460S50Low51.1Low97 Ų97150.2 Ų150.268%0.67882%0.818SS**  trans177.8166.8140.453.80000114.2
461H51.8Low51.2Low178 Ų178149.9 Ų149.982%0.82482%0.816SS**  trans67.1112.3162.2-50.6-54000120.9
462S49.1Very low51.3Low114 Ų114149.3 Ų149.380%0.79782%0.819SS**  trans-100.5175.1153.9-48.30000109.4
463P57.1Low51.2Low125 Ų125151 Ų15181%0.81283%0.825SS**  -146.8173.9102.438.9-23.5000117.2
464K49.5Very low50.8Low201 Ų201148.3 Ų148.387%0.87483%0.825SS**  trans-32.5163.9161.5-62.8167.4-179.9176.30116.5
465A51.9Low51Low89 Ų89150.9 Ų150.974%0.73682%0.821SS**  cis176.5156.6-21.100000109.7
466K46.8Very low50.8Low210 Ų210152.7 Ų152.791%0.91382%0.816SS**  trans-166.9162.9136.6-114.4170.6-178.5177.30112
467L49.6Very low50.9Low158 Ų158152.2 Ų152.283%0.82781%0.814SS**  trans-99.6157-175.3-49.497.3000112
468Q49.5Very low50.9Low198 Ų198148.4 Ų148.493%0.92582%0.818SS**  -156.9161.1125.4-108.1169.217.600110.5
469S51.2Low50.7Low102 Ų102146.4 Ų146.471%0.71382%0.819SS**  trans-154.2125.4-158.257.10000115.1
470T57.1Low50.6Low135 Ų135143.7 Ų143.783%0.82882%0.821SS**  trans-156.7109.1157.133.70000107.3
471S51.6Low50.8Low117 Ų117145.3 Ų145.382%0.81883%0.826SS**  75.492.371.5740000114.6
472G46.5Very low50.6Low82 Ų82142.9 Ų142.985%0.84582%0.82SS**  trans-157.2121.7167.500000110.2
473R47.7Very low50.3Low263 Ų263147.6 Ų147.699%0.99282%0.82SS**  trans-98.6150.7-171.8-67174.5171.9168.7-4111.6
474G47.5Very low49.9Very low80 Ų80153 Ų15383%0.82582%0.824SS**  trans-17449.1-178.100000116.9
475D52.4Low49.9Very low129 Ų129149.7 Ų149.769%0.6982%0.816SS**  trans-65.5162.2167.9-82.7-36.1000112.4
476K53.6Low49.9Very low161 Ų161155.4 Ų155.470%0.782%0.824SS**  cis-163.6154.1-6.5-113.4156.9-170.3136.10110.3
477K55.3Low49.8Very low197 Ų197154.4 Ų154.486%0.85782%0.82SS**  trans26.5141.7153.3-66.2-172.9174.5-174.90123
478P47.5Very low49.7Very low137 Ų137151.4 Ų151.489%0.8982%0.818SS**  trans-84.7168.9161.938-35.6000113
479G53.6Low49.7Very low78 Ų78146.6 Ų146.680%0.80481%0.806SS**  trans-166.4125.9170.200000115.3
480D43Very low49.6Very low166 Ų166146.6 Ų146.689%0.88881%0.806SS**  trans-89.5123.8168.5-77.1-66000110.9
481V55.5Low48.9Very low131 Ų131151.2 Ų151.279%0.79481%0.808SS**  trans-161.7151.5152.1-113.90000114.6
482N47.3Very low48.6Very low128 Ų128150.5 Ų150.568%0.68480%0.803SS**  trans70.3123.4163.2-61.9-36000117.5
483R42.6Very low48.4Very low212 Ų212151.3 Ų151.380%0.880%0.796SS**  73.2103.651.3-70.3-179.6163.6165.4-6.4114.2
484R48Very low48Very low238 Ų238143.5 Ų143.590%0.89878%0.782SS**  trans-168.1117.4131.1-91.6143.7-168.9-164.24.2105.8
485D50.9Low47.5Very low132 Ų132144.3 Ų144.371%0.70678%0.775SS**  66.296.263.1-63.2-58.4000113.5
486K50.3Low46.8Very low209 Ų209143.6 Ų143.691%0.90978%0.78SS**  trans174.9159.2130.3-93.9159.1-175.8-175.50111.8
487K45Very low46.3Very low189 Ų189141 Ų14182%0.82278%0.783SS**  cis-171.6123-43.4-176.3-179.1-177.7-174.20108
488A48.5Very low45.4Very low96 Ų96136.8 Ų136.879%0.79378%0.778SS**  trans61176.5169.500000114.7
489S48Very low45Very low97 Ų97138.1 Ų138.168%0.67878%0.777SS**  cis-150.1149.24.6530000112.9
490S49.8Very low44.3Very low101 Ų101139.9 Ų139.971%0.70678%0.777SS**  trans60.4153.9144.358.20000120.6
491R43.5Very low44.1Very low232 Ų232135.7 Ų135.788%0.87577%0.774SS**  cis-167.5177.5-17.4-106.5175.4172.4170.2-5106.5
492S43.5Very low43.3Very low102 Ų102135.3 Ų135.371%0.71378%0.777SS**  trans22.5140.9145.462.40000121
493S43.4Very low43Very low100 Ų100134.8 Ų134.870%0.69978%0.783SS**  cis-177.4-164.92.543.30000108.9
494S40Very low42.7Very low98 Ų98130.5 Ų130.569%0.68579%0.786SS**  trans29.8139138.661.70000120.2
495S36.8Very low42.5Very low98 Ų98125.3 Ų125.369%0.68579%0.786SS**  cis170.5169.8-1.8480000105.6
496S37.9Very low41.9Very low114 Ų114123.9 Ų123.980%0.79779%0.786SS**  trans60.4163.4168.628.30000115.2
497S41.9Very low41.2Very low107 Ų107119.3 Ų119.375%0.74878%0.781SS**  cis-146.6166.9-15.835.60000109.1
498S37.2Very low41.1Very low108 Ų108116.5 Ų116.576%0.75578%0.784SS**  trans-46.5141.7170.549.40000114.3
499N39.4Very low40.6Very low164 Ų164117.7 Ų117.788%0.87779%0.787SS**  -147.5132.5129.8-124.8-13.6000112.4
500S38.3Very low40.4Very low115 Ų115118.2 Ų118.280%0.80479%0.791SS**  trans-94.1131.1176.849.40000110.3
501G38Very low40Very low79 Ų79120.7 Ų120.781%0.81480%0.796SS**  trans-137.672.2-177.600000112.8
502S38.2Very low40Very low123 Ų123115.3 Ų115.386%0.8679%0.794SS**  trans-93.1112.6171.453.80000110.5
503S42.5Very low39.9Very low116 Ų116114.5 Ų114.581%0.81180%0.802SS**  trans-121.895.6175.745.30000111.6
504S36.1Very low39.8Very low123 Ų123115.5 Ų115.586%0.8681%0.809SS**  trans-72.4128.715850.20000109.5
505S43.2Very low40Very low129 Ų129116.9 Ų116.990%0.90282%0.819SS**  trans-107.2131.9166.349.90000110.2
506S39.5Very low40.2Very low101 Ų101117.9 Ų117.971%0.70683%0.826SS**  trans-112.6148.8-169.352.80000112.4
507S35.6Very low40.5Very low114 Ų114118.6 Ų118.680%0.79783%0.831SS**  trans29.4117.8146.861.20000119.7
508S41.8Very low40.6Very low129 Ų129119 Ų11990%0.90283%0.833SS**  trans-138.8151.8144.960.70000109.9
509S37.2Very low41Very low121 Ų121119.5 Ų119.585%0.84684%0.837SS**  trans-137.1133-162.456.10000113.4
510S45Very low41.1Very low109 Ų109117.5 Ų117.576%0.76284%0.836SS**  trans-152.9127.7158.959.20000107.3
511N40.2Very low41.6Very low152 Ų152117.2 Ų117.281%0.81383%0.834SS**  44.9130.873.7-75.71.5000112.7
512S44.8Very low42Very low119 Ų119119.2 Ų119.283%0.83284%0.835SS**  cis-164.31551.345.20000109.7
513G41.6Very low42.8Very low85 Ų85119 Ų11988%0.87683%0.833SS**  trans176.481.6177.100000114.6
514S40.5Very low43.3Very low121 Ų121124.6 Ų124.685%0.84684%0.837SS**  trans-98.6129178.654.20000112.7
515S45.2Very low44.4Very low128 Ų128124.2 Ų124.290%0.89583%0.834SS**  trans-154.3124.6149.448.80000110.9
516S40.1Very low44.7Very low119 Ų119126.8 Ų126.883%0.83283%0.832SS**  trans-107.4137.5177.553.60000110.2
517S45.4Very low45.2Very low129 Ų129131 Ų13190%0.90286%0.861SS**  trans-142.6129.915652.10000110.4
518S41.9Very low45.6Very low115 Ų115131.9 Ų131.980%0.80486%0.864SS**  trans-114.3136.4-175.354.10000110.6
519S45.6Very low45.8Very low119 Ų119132 Ų13283%0.83286%0.862SS**  trans-159106.5154.841.50000111.5
520S42.3Very low46.3Very low121 Ų121132.6 Ų132.685%0.84686%0.863SS**  trans-94.5120.6166.853.30000109.6
521S48.5Very low46.4Very low110 Ų110134 Ų13477%0.76987%0.869SS**  trans-132.868.8179.146.60000111.9S523S521-S523 PolarHBondContact O-N 3.25Å
522S47.6Very low46.8Very low121 Ų121132.9 Ų132.985%0.84687%0.872SS**  trans-83.488.617055.30000110.8
523S53.5Low46.9Very low117 Ų117133.8 Ų133.882%0.81888%0.875SS**  trans-81.1121.5172.343.60000111.1S521S521-S523 PolarHBondContact O-N 3.25Å
524R54.5Low47.3Very low235 Ų235137.3 Ų137.389%0.88788%0.875SS**  trans-149.895168.1-139.8177-174.8-168.1-0.9109.8
525S58.6Low47.8Very low115 Ų115138.5 Ų138.580%0.80488%0.877SS**  trans-80.3139.3-179.542.50000111.7
526H50.4Low48Very low183 Ų183139.4 Ų139.485%0.84788%0.876SS**  trans-127.995.8168.2-89.9-73.4000108.8
527S48.1Very low48.7Very low189 Ų189141.3 Ų141.3100%1.32288%0.88SS**  trans-173.80164.758.50000107.7

Retrieved 527 of 527 residues in 62.9 ms (Link to these results)