A0A096ND40_PAPAN Loading...

Fli-1 proto-onco, ETS transcription factor

AlphaFold DB , UniProt , Accession A0A096ND40, Species PAPAN (Papio anubis, Olive baboon), Gene FLI1, Length 452 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
1M40.4Very low37.7Very low231 Ų231148.5 Ų148.5100%1.13884%0.84SS**  0129.10-74.9158.8170.200105.1
2D37Very low37.1Very low168 Ų168146.8 Ų146.890%0.89883%0.834SS**  trans61.6153.4-172-51.5-72000114.2
3G37.9Very low36.9Very low62 Ų62142.5 Ų142.564%0.63982%0.819SS**  cis176.7177.4-6.200000111.1
4T38.6Very low36.8Very low141 Ų141142.9 Ų142.987%0.86582%0.817SS**  trans74.198.6169.6-45.50000117.2
5I44Very low36.8Very low166 Ų166142.1 Ų142.185%0.85181%0.809SS**  trans-73.2152.9156.8-71.6170.5000109
6K42.2Very low36.5Very low182 Ų182144.4 Ų144.479%0.79181%0.811SS**  trans-96.1171.5178.2-66.8-179.2179.2178.30111.8
7E42Very low36.3Very low197 Ų197141.9 Ų141.992%0.92181%0.805SS**  trans76.3135.4-179.2-51.5-176.484.500113.6
8A33.3Very low36.3Very low98 Ų98142.8 Ų142.881%0.8181%0.806SS**  cis-131.1161.73.600000112.9
9L32.4Very low36.2Very low159 Ų159145.9 Ų145.983%0.83281%0.81SS**  trans-83.8153172.7-66.8165.6000109.5
10S31.3Very low35.9Very low106 Ų106145.4 Ų145.474%0.74181%0.806SS**  47.5130.378.9-1210000112.7
11V35.7Very low35.6Very low124 Ų124143.9 Ų143.975%0.75281%0.806SS**  cis-148.4131.425.1-168.30000107.4
12V30.9Very low35.2Very low127 Ų127136.7 Ų136.777%0.7778%0.783SS**  43130.997.6162.80000117.9
13S34.3Very low34.9Very low91 Ų91139.8 Ų139.864%0.63678%0.784SS**  trans75.4106.9158-76.50000123.4
14D35.1Very low34.6Very low148 Ų148140.3 Ų140.379%0.79179%0.789SS**  80.5136.9111.5-53.2-35.9000124.9
15D36.3Very low34.2Very low132 Ų132138.9 Ų138.971%0.70679%0.791SS**  trans65.1107.9148.7-137.8-48.8000121.9
16Q32.8Very low33.5Very low179 Ų179136 Ų13684%0.83679%0.792SS**  -153.8138.1122.8-142.184.3110.300112.4
17S33.7Very low33Very low101 Ų101132 Ų13271%0.70679%0.793SS**  trans-82.2138.3176.158.20000112.8
18L34.9Very low32.4Very low158 Ų158131.1 Ų131.183%0.82779%0.788SS**  trans-156.185.5162.1-153.487.1000112.8
19F34.5Very low32.2Very low202 Ų202134.4 Ų134.489%0.88679%0.791SS**  trans-176.495.3140.3-101.2-62.4000109.7
20D30.5Very low32.8Very low136 Ų136132.4 Ų132.473%0.72779%0.788SS**  trans-90.7143.2163.1-163.4-42.7000108.9A22D20-A22 PolarHBondContact OD1-N 3.27Å
21S30.3Very low32.8Very low113 Ų113136.2 Ų136.279%0.7979%0.791SS**  trans-159.663.2167.7-77.40000109.9
22A31Very low32.7Very low80 Ų80135.2 Ų135.266%0.66180%0.796SS**  trans-55.5135.7173.200000113D20D20-A22 PolarHBondContact OD1-N 3.27Å
23Y32Very low32.5Very low234 Ų234135.5 Ų135.592%0.91879%0.794SS**  trans-147.3131.4162.9-116.6-77.9000113.5
24G31.5Very low32.7Very low72 Ų72140.6 Ų140.674%0.74281%0.809SS**  trans64.190.1143.100000118.8
25A29.2Very low32.9Very low111 Ų111139.7 Ų139.792%0.91781%0.809SS**  trans-72.8145.9156.600000111.1
26A30.2Very low32.6Very low106 Ų106137.9 Ų137.988%0.87681%0.813SS**  trans-142.3134.716400000109.5
27A31.4Very low32.5Very low97 Ų97135 Ų13580%0.80281%0.813SS**  trans-118.8168.9-176.500000112.2
28H28.4Very low32.3Very low179 Ų179133.4 Ų133.483%0.82981%0.812SS**  trans-47.3159.8-175.6-65.7-94.3000117.8
29L29.5Very low32.1Very low167 Ų167131.9 Ų131.987%0.87482%0.815SS**  trans120.1153.3148.5-69.8150.7000114.4
30P46Very low32.9Very low118 Ų118127.6 Ų127.677%0.76681%0.807SS**  cis-116.8-177.9-638.7-25.3000113.8
31K31.4Very low32.9Very low185 Ų185127.5 Ų127.580%0.80481%0.807SS**  trans-76.1161.9165.7-66176.1176.8178.60110.9
32A32.4Very low33Very low103 Ų103132.2 Ų132.285%0.85181%0.809SS**  trans-113.3131.1154.400000108.9
33D26.8Very low32.9Very low134 Ų134131.9 Ų131.972%0.71781%0.813SS**  trans-89.5144.9174.9-67.4-76000111
34M39.9Very low32.9Very low197 Ų197128.6 Ų128.697%0.9781%0.806SS**  trans-137.4120.4155.5-86-162.570.300109.6
35T38.2Very low33.7Very low129 Ų129130 Ų13079%0.79180%0.803SS**  trans-127125.7-173.2-52.70000109.4
36A30.7Very low33.8Very low94 Ų94132.5 Ų132.578%0.77780%0.795SS**  trans-168.2151.7154.500000113.3
37S30.8Very low33.9Very low119 Ų119136.6 Ų136.683%0.83279%0.793SS**  trans-35.2162166.149.90000118.8
38G29.4Very low34Very low68 Ų68139.8 Ų139.870%0.70180%0.795SS**  cis132.395.4-5.100000116.1
39S31Very low34.1Very low125 Ų125137.9 Ų137.987%0.87479%0.791SS**  trans66.8165.4159.6-97.50000119.6
40P50Low34.4Very low112 Ų112135.8 Ų135.873%0.72779%0.787SS**  cis-138.5173.7-16.439.9-22.2000117.1
41D30.2Very low33.7Very low135 Ų135137.5 Ų137.572%0.72279%0.789SS**  trans87.9153.7137.1-124.3-15.1000126.3
42Y32Very low34.5Very low211 Ų211133.9 Ų133.983%0.82779%0.785SS**  trans59129.8162.2-83.3-79.3000124.9
43G29.1Very low34.9Very low74 Ų74134.3 Ų134.376%0.76378%0.779SS**  127.1108.4127.200000121.4
44Q33.7Very low35.1Very low164 Ų164135 Ų13577%0.76678%0.777SS**  trans-102.7159150.1-99-80.9-51.500107.7
45P47.1Very low34.6Very low103 Ų103133.5 Ų133.567%0.66977%0.768SS**  -157.1166.855.540.5-17.3000121.5
46H32.4Very low34Very low162 Ų162134.1 Ų134.175%0.7576%0.762SS**  trans37.5134.2144.8-53.6-43.5000126.1
47K31Very low33.8Very low192 Ų192139.9 Ų139.984%0.83576%0.764SS**  trans-170.3120.9137.1-102.9165.2-176.7178.50109.1
48I33Very low33.8Very low165 Ų165140.3 Ų140.385%0.84676%0.756SS**  86133.876.9-68.5173.2000114.7
49N31.2Very low33.7Very low138 Ų138143.9 Ų143.974%0.73876%0.758SS**  trans-90.2165.7-165.1-123.613.3000114.5
50P37.3Very low33.7Very low123 Ų123145.5 Ų145.580%0.79975%0.752SS**  -151.9169.698.438.7-20.1000118.6
51L30.5Very low33.2Very low155 Ų155145.8 Ų145.881%0.81275%0.754SS**  trans-114.8179.6167.9-92.8162.6000108.9
52P47.3Very low33Very low109 Ų109144.7 Ų144.771%0.70875%0.752SS**  cis-136.4-148.522.444.9-24000112.7
53P41.6Very low32.9Very low112 Ų112146 Ų14673%0.72776%0.755SS**  cis-121.5-177.7-17.340.2-23.7000113.4
54Q30.5Very low32.7Very low148 Ų148148.9 Ų148.969%0.69276%0.758SS**  cis109.898.9-1.3-167.8-98.7-65.400118.6
55Q28.9Very low32.4Very low165 Ų165147.8 Ų147.877%0.77176%0.757SS**  trans-163.8105.4158.1-154.9111.861.300108.7
56E26.8Very low31.5Very low142 Ų142149.4 Ų149.466%0.66477%0.765SS**  67150.595.7-53.9175.4117.700116
57W25.8Very low31.3Very low215 Ų215148.4 Ų148.481%0.81476%0.759SS**  cis-158.5149.725.153.9-62.7000113.7
58I31.7Very low31.4Very low129 Ų129149.7 Ų149.766%0.66276%0.758SS**  trans64.7142.4143.3-90.8163.4000120.3
59N26.9Very low31Very low142 Ų142148.9 Ų148.976%0.75975%0.751SS**  cis-150160.92-124.5-23.5000113
60Q30Very low30.7Very low160 Ų160152.1 Ų152.175%0.74875%0.754SS**  trans-151.8154.1161.3-126.4-165.967.900110.1
61P39.7Very low30.2Very low117 Ų117152.6 Ų152.676%0.7675%0.75SS**  -148.2179.5109.343.1-28.4000112.2
62V27.8Very low30.3Very low113 Ų113152.3 Ų152.369%0.68574%0.744SS**  cis-133.7146.45.4-179.60000108.6
63R27.9Very low29.5Very low237 Ų237155 Ų15589%0.89475%0.749SS**  trans-133.4137.6151.9-72.6-164.7-178.2-139.42.6110.3
64V25.6Very low28.8Very low136 Ų136157.3 Ų157.382%0.82476%0.756SS**  trans-89.3136.1173.8-170.30000108.8
65N27.4Very low28.7Very low140 Ų140153.1 Ų153.175%0.74975%0.752SS**  trans-121.3142.1-179-178.325.7000109.7
66V27.9Very low28.8Very low137 Ų137149.5 Ų149.583%0.8375%0.745SS**  trans-126107.7171.7-179.60000108.5
67K29.2Very low29.1Very low141 Ų141153.1 Ų153.161%0.61375%0.753SS**  trans-83.9143.9178.6-176.5-169.8166.5-146.50110.2E69K67-E69 WeakPolarHBondContact CE-OE1 3.48Å; K67-E69 IonicContact NZ-OE1 3.29Å; K67-E69 PolarHBondContact NZ-OE1 3.07Å; K67-E69 IonicContact NZ-OE2 3.58Å; K67-E69 PolarHBondContact NZ-OE2 3.32Å
68R33Very low29.3Very low219 Ų219150.7 Ų150.783%0.82675%0.75SS**  trans-81.1133.3170.2-179.5-169-62.4163.1-0.2110.3
69E24Very low29.5Very low149 Ų149149.7 Ų149.770%0.69676%0.755SS**  trans-138.2164.4163.8-133.2111.6-135.900108.3K67K67-E69 WeakPolarHBondContact CE-OE1 3.48Å; K67-E69 IonicContact NZ-OE1 3.29Å; K67-E69 PolarHBondContact NZ-OE1 3.07Å; K67-E69 IonicContact NZ-OE2 3.58Å; K67-E69 PolarHBondContact NZ-OE2 3.32Å
70Y24.3Very low30.3Very low205 Ų205148.4 Ų148.480%0.80475%0.754SS**  trans-157.8122.2-156.1-157-77.2000112
71D26.9Very low30.7Very low134 Ų134147.1 Ų147.172%0.71776%0.757SS**  trans-147.8126.6175-93.3-63.7000112.7
72H33.4Very low30.2Very low148 Ų148149.2 Ų149.269%0.68576%0.762SS**  trans27.6139.2133.3-55.5107.7000120.9
73M29.7Very low30.4Very low166 Ų166149.4 Ų149.482%0.81877%0.767SS**  cis-172.6137-1.1-177.297.474.700110.4
74N27Very low30.6Very low161 Ų161144.1 Ų144.186%0.86177%0.766SS**  trans-170.4152.1133.6-158.99.7000111.5
75G28.5Very low31Very low59 Ų59144.4 Ų144.461%0.60877%0.768SS**  trans-104.8-161.3170.600000112.7
76S31.9Very low31Very low90 Ų90143.1 Ų143.163%0.62977%0.77SS**  cis-167.6139.33.8173.60000111.2
77R32.3Very low31.2Very low218 Ų218145.9 Ų145.982%0.82377%0.771SS**  trans57.5173.6153.3-71.5176.7177.1145.41.3117.2
78E29.8Very low31.6Very low163 Ų163144.4 Ų144.476%0.76278%0.777SS**  cis-112.41661.3-9876-137.500114.1
79S36.3Very low31.3Very low109 Ų109139.8 Ų139.876%0.76278%0.778SS**  trans-127124158.1172.60000108.4
80P43.9Very low31.8Very low115 Ų115140.7 Ų140.775%0.74778%0.78SS**  trans-94.7121.7165.8-2.222.3000110.5
81V39.4Very low32.3Very low133 Ų133138 Ų13881%0.80678%0.779SS**  trans-88138.2149.5-71.10000107.6
82D28.8Very low32.6Very low160 Ų160138.1 Ų138.186%0.85678%0.784SS**  trans-146.7136.6162.7-124-36.4000111.2
83C32.3Very low32.4Very low117 Ų117134.7 Ų134.779%0.79179%0.788SS**  trans-104138.1179.7-74.40000109.2
84S31.3Very low32.3Very low127 Ų127131 Ų13189%0.88879%0.792SS**  trans-146128165.9-860000112
85V33.9Very low32.4Very low141 Ų141126.6 Ų126.686%0.85579%0.786SS**  trans-105.9120.6-176.4172.70000109.5
86S28.3Very low32.5Very low114 Ų114133.7 Ų133.780%0.79780%0.803SS**  trans174.6147.8159-89.90000110.3
87K31.4Very low32.6Very low195 Ų195134.5 Ų134.585%0.84881%0.809SS**  cis-160.8149.6-10.6178.6175.6176.8-179.30108.2
88C37.6Very low32.6Very low110 Ų110131 Ų13174%0.74381%0.807SS**  trans-72.1143.2174.5-179.70000112.2
89S26.3Very low33.3Very low121 Ų121128.8 Ų128.885%0.84681%0.806SS**  trans-146.7159.2155.8-160.20000110.8
90K34.3Very low33.3Very low169 Ų169131.5 Ų131.574%0.73581%0.809SS**  trans-156.8162.2-160.4-167.1-173.5177.7-177.30110.8
91L35.7Very low33.1Very low148 Ų148132.3 Ų132.378%0.77581%0.807SS**  trans74.9152.6174.4-40.1172.6000112.9
92V32.8Very low32.6Very low137 Ų137136.4 Ų136.483%0.8381%0.809SS**  cis-138.7154.37178.40000107.6
93G28.3Very low32.9Very low75 Ų75134.6 Ų134.677%0.77380%0.799SS**  cis137.5102.8-6.600000114.3
94G27.5Very low32.7Very low88 Ų88133.4 Ų133.491%0.90779%0.793SS**  trans134.1143.317800000112.7
95G29.7Very low32.9Very low70 Ų70137.5 Ų137.572%0.72279%0.79SS**  cis-173.8178.4-3.900000113.1
96E30.5Very low33.3Very low207 Ų207138.3 Ų138.397%0.96779%0.786SS**  trans66.7171.6173.4-52.8-157.4135.200118.2
97S34.8Very low33.6Very low107 Ų107139.9 Ų139.975%0.74879%0.786SS**  trans-146.4127.9-148.457.80000115.9
98N32.1Very low33.8Very low146 Ų146138.1 Ų138.178%0.78178%0.781SS**  trans-165.6153.4140.8-113.3-21.2000111.7M100N98-M100 HydrophobicContact CB-SD 4.5Å
99P43.8Very low33.7Very low116 Ų116141.8 Ų141.875%0.75378%0.784SS**  trans-92.4109-178.234-30000112.1
100M36.2Very low34Very low165 Ų165143 Ų14381%0.81378%0.781SS**  trans-104.1128.6173.8-100.659.6-16400112N98N98-M100 HydrophobicContact CB-SD 4.5Å
101N39.8Very low34.4Very low133 Ų133137.7 Ų137.771%0.71177%0.774SS**  trans-62.2126.6-177.1179.220.7000112.4
102Y29.4Very low34.8Very low219 Ų219136.7 Ų136.786%0.85978%0.777SS**  trans-119.392.1175.2-139.9-84.4000110.9S104Y102-S104 PolarHBondContact O-N 3.11Å
103N34.6Very low35.2Very low121 Ų121135.7 Ų135.765%0.64777%0.773SS**  trans-68.4101.4171.7-84.5-43.3000109.8Y105N103-Y105 PolarHBondContact O-N 2.82Å
104S27.4Very low35.4Very low93 Ų93137.8 Ų137.865%0.6577%0.773SS**  trans-77.483176-174.50000111.2Y102 M106Y102-S104 PolarHBondContact O-N 3.11Å; S104-M106 PolarHBondContact O-N 2.76Å
105Y37.3Very low36Very low212 Ų212139.4 Ų139.483%0.83177%0.768SS**  trans-61.9130.2164.3-91.6-95.8000110.1N103N103-Y105 PolarHBondContact O-N 2.82Å
106M40.9Very low36.2Very low158 Ų158143 Ų14378%0.77877%0.771SS**  trans-82.7117.7172-63.4-64.7-175.600109.2S104 E108S104-M106 PolarHBondContact O-N 2.76Å; M106-E108 PolarHBondContact O-N 3.03Å
107D35.2Very low36Very low148 Ų148141.8 Ų141.879%0.79177%0.767SS**  trans-81.788.9166.6-171.3-110.8000108.6K109D107-K109 VanDerWaalsContact C-N 3.25Å; D107-K109 PolarHBondContact O-N 2.84Å
108E35.5Very low36Very low158 Ų158142 Ų14274%0.73876%0.764SS**  trans-78.877.2-176.9-159.5172.9147.100111M106 N110M106-E108 PolarHBondContact O-N 3.03Å; E108-N110 VanDerWaalsContact C-N 3.34Å; E108-N110 PolarHBondContact O-N 3.34Å; E108-N110 PolarHBondContact O-ND2 3.12Å
109K34.5Very low36.4Very low186 Ų186140.9 Ų140.981%0.80976%0.763SS**  trans-6888.1179.4-174177.8177.2176.10111.6D107 G111D107-K109 VanDerWaalsContact C-N 3.25Å; D107-K109 PolarHBondContact O-N 2.84Å; K109-G111 PolarHBondContact O-N 2.87Å
110N33.9Very low35.9Very low146 Ų146142.9 Ų142.978%0.78177%0.767SS**PPolyproline II helixtrans-48.6117.3177.3-75.2-86.9000113.2E108E108-N110 VanDerWaalsContact C-N 3.34Å; E108-N110 PolarHBondContact O-N 3.34Å; E108-N110 PolarHBondContact O-ND2 3.12Å
111G42.8Very low35.8Very low58 Ų58142.2 Ų142.260%0.59876%0.762SS**PPolyproline II helixtrans-94.5152.3160.700000110.7K109K109-G111 PolarHBondContact O-N 2.87Å
112P43.7Very low35.7Very low127 Ų127145.6 Ų145.683%0.82577%0.765SS**PPolyproline II helixtrans-68.1134.5-179.828-34.1000111.5
113P40.7Very low36.3Very low117 Ų117146.1 Ų146.176%0.7677%0.765SS**PPolyproline II helixtrans-74.2152.7179.830.2-35.2000112.6
114P32.6Very low36.7Very low119 Ų119142.6 Ų142.677%0.77375%0.748SS**PPolyproline II helixtrans-70.4154.117530.6-35.4000112.1
115P40.3Very low38Very low122 Ų122144.9 Ų144.979%0.79275%0.751SS**PPolyproline II helixtrans-78.5132.6-169.930.2-35.4000114.3
116N35Very low39Very low145 Ų145136.6 Ų136.678%0.77572%0.723SS**  trans32.9107.7155.9-76.2-26.1000119.4
117M26Very low40.1Very low182 Ų182131 Ų13190%0.89770%0.698SS**  trans-115.3113.6139.8-74-165.472.400109.4
118T35.2Very low41.5Very low111 Ų111127.5 Ų127.568%0.68169%0.69SS**  trans-92.5111.7-17847.90000111
119T39Very low43.5Very low123 Ų123121.3 Ų121.376%0.75566%0.662SS**  trans-104.72.5-177.451.40000114.4E121T119-E121 VanDerWaalsContact C-N 3.32Å; T119-E121 PolarHBondContact O-N 3.02Å; T119-E121 VanDerWaalsContact O-N 3.09Å
120N32.8Very low45.9Very low158 Ų158112.5 Ų112.585%0.84562%0.623SS**  trans-87.358.2-174.6-73-32000113.1
121E35Very low48.3Very low151 Ų151107.8 Ų107.871%0.70660%0.6SS**  trans-117.7117.6175-71.6-163.8-141.700113T119T119-E121 VanDerWaalsContact C-N 3.32Å; T119-E121 PolarHBondContact O-N 3.02Å; T119-E121 VanDerWaalsContact O-N 3.09Å
122R37Very low50.3Low203 Ų203110.5 Ų110.577%0.76660%0.601SS**  trans68.460.2156.6-153.5-174.8-54.4-101.4-3.1116.8
123R43.8Very low52.5Low230 Ų230104.7 Ų104.787%0.86856%0.562SS**  trans-120.7137.2151.9-76.6-173.7173.5164.5-0.7110.7
124V42.3Very low54.7Low48 Ų48102.5 Ų102.529%0.29155%0.547SS..  trans-77.8138.5176.8160.40000109.3V126 Q140 W144V124-V126 HydrophobicContact CG1-CG1 3.79Å; V124-Q140 HydrophobicContact CB-CB 4.31Å; V124-Q140 HydrophobicContact CG1-CB 3.59Å; V124-Q140 HydrophobicContact CG2-CB 3.78Å; V124-Q140 HydrophobicContact CG2-CG 4.26Å; V124-W144 HydrophobicContact CB-CB 4.2Å; V124-W144 HydrophobicContact CG2-CB 4.12Å
125I54.8Low57.4Low140 Ų140102.1 Ų102.172%0.71854%0.535SS*.  trans-119.4117172.1-56.3177000107.3
126V57.3Low59.5Low39 Ų39100 Ų10024%0.23651%0.514CS..  trans-121.8149.9172.8-66.60000109.4V124 W133 H137 W141V124-V126 HydrophobicContact CG1-CG1 3.79Å; V126-W133 HydrophobicContact CB-CD2 4.45Å; V126-W133 HydrophobicContact CB-CZ2 4.01Å; V126-W133 HydrophobicContact CG2-CH2 4.3Å; V126-W133 HydrophobicContact CG2-CZ2 3.48Å; V126-W133 VanDerWaalsContact CG2-CZ2 3.48Å; V126-H137 HydrophobicContact CB-CB 4.28Å; V126-H137 HydrophobicContact CG1-CB 3.76Å; V126-H137 WeakPolarHBondContact CG1-O 3.31Å; V126-W141 HydrophobicContact CG1-CB 4.26Å
127P64.6Low62Low39 Ų3995.5 Ų95.525%0.25349%0.488SS..  trans-53149.4175.3-26.632.6000112.7D129 L132 W133 H137P127-D129 PolarHBondContact O-N 3.37Å; P127-L132 HydrophobicContact CB-CB 4.18Å; P127-W133 PolarHBondContact O-NE1 3.43Å; P127-H137 VanDerWaalsContact CD-ND1 3.32Å; P127-H137 WeakPolarHBondContact CD-ND1 3.47Å
128A63.8Low65.1Low75 Ų7586.8 Ų86.862%0.6245%0.445SS*.SBendtrans-61.5-43.1-179.200000112.6P130 S198A128-P130 WeakPolarHBondContact O-CD 3.25Å; A128-S198 VanDerWaalsContact C-OG 3.3Å; A128-S198 PolarHBondContact O-OG 3.09Å
129D78.1Confident67.6Low29 Ų2985.5 Ų85.516%0.15543%0.428CS..SBendtrans-83.6117.5174-175.9-17.7000110.5P127 T131 L132 S198 Y202P127-D129 PolarHBondContact O-N 3.37Å; D129-T131 PolarHBondContact O-N 2.99Å; D129-T131 WeakPolarHBondContact OD1-CB 3.3Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.24Å; D129-T131 PolarHBondContact OD1-N 2.9Å; D129-T131 PolarHBondContact OD1-OG1 3.16Å; D129-T131 PolarHBondContact OD2-OG1 2.96Å; D129-T131 VanDerWaalsContact OD2-OG1 3.07Å; D129-L132 HydrophobicContact CB-CD1 4.12Å; D129-L132 HydrophobicContact CB-CG 4.11Å; D129-L132 PolarHBondContact O-N 3.49Å; D129-L132 VanDerWaalsContact O-N 3.08Å; D129-S198 WeakPolarHBondContact CA-OG 3.23Å; D129-S198 PolarHBondContact N-OG 2.74Å; D129-Y202 PolarHBondContact OD2-OH 2.77Å
130P84.1Confident69.8Low0 Ų082 Ų820%040%0.403CS..G310 helixtrans-63-21.5178.1-23.236.3000114.7A128 L132 W133 G164 L191 L194 R195A128-P130 WeakPolarHBondContact O-CD 3.25Å; P130-L132 PolarHBondContact O-N 3.11Å; P130-W133 HydrophobicContact CB-CD2 4.13Å; P130-W133 HydrophobicContact CB-CE3 4.35Å; P130-W133 HydrophobicContact CB-CH2 4.43Å; P130-W133 HydrophobicContact CB-CZ2 4.2Å; P130-W133 HydrophobicContact CB-CZ3 4.49Å; P130-W133 HydrophobicContact CG-CZ2 4.18Å; P130-W133 WeakPolarHBondContact O-CB 3.44Å; P130-W133 PolarHBondContact O-N 3.05Å; P130-W133 VanDerWaalsContact O-N 3.17Å; P130-G164 CarbonylContact O-C 3.59Å; P130-G164 WeakPolarHBondContact O-CA 3.4Å; P130-L191 HydrophobicContact CB-CD1 3.57Å; P130-L191 HydrophobicContact CG-CD1 3.88Å; P130-L194 HydrophobicContact CG-CB 3.6Å; P130-L194 HydrophobicContact CG-CD1 3.99Å; P130-L194 HydrophobicContact CG-CG 4.48Å; P130-R195 HydrophobicContact CG-CG 4.09Å
131T85.9Confident72.5Confident48 Ų4874.6 Ų74.629%0.29436%0.363SS..G310 helixtrans-71.3-10.1175.472.20000113.4D129 K165 C168D129-T131 PolarHBondContact O-N 2.99Å; D129-T131 WeakPolarHBondContact OD1-CB 3.3Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.24Å; D129-T131 PolarHBondContact OD1-N 2.9Å; D129-T131 PolarHBondContact OD1-OG1 3.16Å; D129-T131 PolarHBondContact OD2-OG1 2.96Å; D129-T131 VanDerWaalsContact OD2-OG1 3.07Å; T131-K165 VanDerWaalsContact O-CE 3.25Å; T131-K165 WeakPolarHBondContact O-CE 3.28Å; T131-K165 VanDerWaalsContact O-CG 3.24Å; T131-K165 WeakPolarHBondContact O-CG 3.31Å; T131-C168 HydrophobicContact CG2-CB 4.24Å
132L84.3Confident75.1Confident115 Ų11567.6 Ų67.660%0.60233%0.331SS*.G310 helixtrans-995.6174-56.5-178.4000113P127 D129 P130P127-L132 HydrophobicContact CB-CB 4.18Å; D129-L132 HydrophobicContact CB-CD1 4.12Å; D129-L132 HydrophobicContact CB-CG 4.11Å; D129-L132 PolarHBondContact O-N 3.49Å; D129-L132 VanDerWaalsContact O-N 3.08Å; P130-L132 PolarHBondContact O-N 3.11Å
133W88.9Confident77.5Confident5 Ų562.5 Ų62.52%0.01932%0.316CS..  trans-74138.6179.1-67.54.8000112.1V126 P127 P130 H137 V138 W141 G164 L167 L191 L194V126-W133 HydrophobicContact CB-CD2 4.45Å; V126-W133 HydrophobicContact CB-CZ2 4.01Å; V126-W133 HydrophobicContact CG2-CH2 4.3Å; V126-W133 HydrophobicContact CG2-CZ2 3.48Å; V126-W133 VanDerWaalsContact CG2-CZ2 3.48Å; P127-W133 PolarHBondContact O-NE1 3.43Å; P130-W133 HydrophobicContact CB-CD2 4.13Å; P130-W133 HydrophobicContact CB-CE3 4.35Å; P130-W133 HydrophobicContact CB-CH2 4.43Å; P130-W133 HydrophobicContact CB-CZ2 4.2Å; P130-W133 HydrophobicContact CB-CZ3 4.49Å; P130-W133 HydrophobicContact CG-CZ2 4.18Å; P130-W133 WeakPolarHBondContact O-CB 3.44Å; P130-W133 PolarHBondContact O-N 3.05Å; P130-W133 VanDerWaalsContact O-N 3.17Å; W133-H137 HydrophobicContact CB-CB 3.74Å; W133-H137 HydrophobicContact CD2-CB 4.46Å; W133-H137 HydrophobicContact CG-CB 3.88Å; W133-V138 HydrophobicContact CB-CG2 4.12Å; W133-V138 HydrophobicContact CE3-CG2 4.12Å; W133-W141 HydrophobicContact CE3-CB 4.45Å; W133-W141 HydrophobicContact CH2-CB 3.85Å; W133-W141 AromaticContact CH2-CD1 3.55Å; W133-W141 AromaticContact CH2-CD2 3.72Å; W133-W141 HydrophobicContact CH2-CD2 3.72Å; W133-W141 AromaticContact CH2-CE2 4Å; W133-W141 HydrophobicContact CH2-CE3 4.45Å; W133-W141 AromaticContact CH2-CG 3.4Å; W133-W141 HydrophobicContact CH2-CG 3.4Å; W133-W141 VanDerWaalsContact CH2-CG 3.4Å; W133-W141 AromaticContact CH2-NE1 3.91Å; W133-W141 HydrophobicContact CZ2-CG 4.45Å; W133-W141 HydrophobicContact CZ3-CB 3.76Å; W133-W141 AromaticContact CZ3-CD2 3.49Å; W133-W141 HydrophobicContact CZ3-CD2 3.49Å; W133-W141 VanDerWaalsContact CZ3-CD2 3.49Å; W133-W141 AromaticContact CZ3-CE3 3.77Å; W133-W141 HydrophobicContact CZ3-CE3 3.77Å; W133-W141 AromaticContact CZ3-CG 3.49Å; W133-W141 HydrophobicContact CZ3-CG 3.49Å; W133-W141 VanDerWaalsContact CZ3-CG 3.49Å; W133-G164 PolarHBondContact O-N 3.39Å; W133-L167 HydrophobicContact CE3-CD2 3.75Å; W133-L167 HydrophobicContact CZ3-CD2 3.66Å; W133-L191 HydrophobicContact CZ3-CD1 4.33Å; W133-L194 HydrophobicContact CH2-CD1 3.58Å; W133-L194 HydrophobicContact CZ2-CD1 3.51Å
134T88.2Confident79.6Confident71 Ų7154.7 Ų54.744%0.43629%0.286SS..  trans-88.4169.216763.20000109.2E136 H137 V138T134-E136 PolarHBondContact O-N 3.42Å; T134-E136 VanDerWaalsContact O-N 3.15Å; T134-H137 PolarHBondContact N-ND1 3.15Å; T134-H137 WeakPolarHBondContact O-CA 3.28Å; T134-H137 WeakPolarHBondContact O-CB 3.46Å; T134-H137 PolarHBondContact O-N 3.34Å; T134-H137 PolarHBondContact OG1-N 2.95Å; T134-H137 PolarHBondContact OG1-ND1 3.5Å; T134-V138 PolarHBondContact O-N 2.87Å
135Q88.8Confident81.7Confident111 Ų11152.4 Ų52.452%0.51927%0.273SS..Hα-helixtrans-49.3-39.6172.666.7-170.664.500113V138 R139 M162Q135-V138 PolarHBondContact O-N 2.62Å; Q135-R139 VanDerWaalsContact O-CB 3.31Å; Q135-R139 WeakPolarHBondContact O-CB 3.46Å; Q135-R139 PolarHBondContact O-N 3.37Å; Q135-M162 WeakPolarHBondContact CA-O 3.26Å
136E85.3Confident83.3Confident78 Ų7848.1 Ų48.136%0.36425%0.251SS..Hα-helixtrans-77.6-23.3-179.9-171.353.7-144.800112.7T134 R139 Q140T134-E136 PolarHBondContact O-N 3.42Å; T134-E136 VanDerWaalsContact O-N 3.15Å; E136-R139 VanDerWaalsContact CD-NE 3.31Å; E136-R139 IonicContact OE1-CZ 2.68Å; E136-R139 VanDerWaalsContact OE1-CZ 3.3Å; E136-R139 IonicContact OE1-NE 2.69Å; E136-R139 PolarHBondContact OE1-NE 2.96Å; E136-R139 IonicContact OE1-NH2 2.76Å; E136-R139 PolarHBondContact OE1-NH2 3.44Å; E136-R139 WeakPolarHBondContact OE2-CD 3.39Å; E136-R139 IonicContact OE2-CZ 3.03Å; E136-R139 IonicContact OE2-NE 3.84Å; E136-R139 PolarHBondContact OE2-NE 3.1Å; E136-Q140 VanDerWaalsContact O-CB 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.49Å; E136-Q140 VanDerWaalsContact O-CG 3.23Å; E136-Q140 WeakPolarHBondContact O-CG 3.3Å; E136-Q140 PolarHBondContact O-N 3.07Å; E136-Q140 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-NE2 2.89Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.48Å
137H87.4Confident84.7Confident49 Ų4953.2 Ų53.223%0.22727%0.269CS..Hα-helixtrans-72-43.9167.9-65148.7000110.8V126 P127 W133 T134 Q140 W141V126-H137 HydrophobicContact CB-CB 4.28Å; V126-H137 HydrophobicContact CG1-CB 3.76Å; V126-H137 WeakPolarHBondContact CG1-O 3.31Å; P127-H137 VanDerWaalsContact CD-ND1 3.32Å; P127-H137 WeakPolarHBondContact CD-ND1 3.47Å; W133-H137 HydrophobicContact CB-CB 3.74Å; W133-H137 HydrophobicContact CD2-CB 4.46Å; W133-H137 HydrophobicContact CG-CB 3.88Å; T134-H137 PolarHBondContact N-ND1 3.15Å; T134-H137 WeakPolarHBondContact O-CA 3.28Å; T134-H137 WeakPolarHBondContact O-CB 3.46Å; T134-H137 PolarHBondContact O-N 3.34Å; T134-H137 PolarHBondContact OG1-N 2.95Å; T134-H137 PolarHBondContact OG1-ND1 3.5Å; H137-Q140 PolarHBondContact O-N 2.81Å; H137-W141 WeakPolarHBondContact O-CB 3.47Å; H137-W141 PolarHBondContact O-N 3.04Å
138V89.9Confident85.6Confident0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-59.2-48.3174.3175.70000110.8W133 T134 Q135 W141 L142 F159 M162 L167W133-V138 HydrophobicContact CB-CG2 4.12Å; W133-V138 HydrophobicContact CE3-CG2 4.12Å; T134-V138 PolarHBondContact O-N 2.87Å; Q135-V138 PolarHBondContact O-N 2.62Å; V138-W141 PolarHBondContact O-N 3.41Å; V138-L142 WeakPolarHBondContact O-CB 3.43Å; V138-L142 PolarHBondContact O-N 3.29Å; V138-F159 HydrophobicContact CG1-CB 4.46Å; V138-M162 WeakPolarHBondContact CG2-O 3.31Å; V138-L167 HydrophobicContact CG1-CD1 4.38Å; V138-L167 HydrophobicContact CG1-CD2 4.25Å; V138-L167 HydrophobicContact CG2-CD2 4.17Å
139R88.4Confident86.6Confident84 Ų8458.6 Ų58.632%0.31728%0.275SS..Hα-helixtrans-59-49.4179.5-158.3-165.972.363.323.1112Q135 E136 L142 E143Q135-R139 VanDerWaalsContact O-CB 3.31Å; Q135-R139 WeakPolarHBondContact O-CB 3.46Å; Q135-R139 PolarHBondContact O-N 3.37Å; E136-R139 VanDerWaalsContact CD-NE 3.31Å; E136-R139 IonicContact OE1-CZ 2.68Å; E136-R139 VanDerWaalsContact OE1-CZ 3.3Å; E136-R139 IonicContact OE1-NE 2.69Å; E136-R139 PolarHBondContact OE1-NE 2.96Å; E136-R139 IonicContact OE1-NH2 2.76Å; E136-R139 PolarHBondContact OE1-NH2 3.44Å; E136-R139 WeakPolarHBondContact OE2-CD 3.39Å; E136-R139 IonicContact OE2-CZ 3.03Å; E136-R139 IonicContact OE2-NE 3.84Å; E136-R139 PolarHBondContact OE2-NE 3.1Å; R139-L142 PolarHBondContact O-N 3.34Å; R139-E143 IonicContact CZ-OE1 3.06Å; R139-E143 IonicContact CZ-OE2 3.3Å; R139-E143 IonicContact NH1-OE1 3.95Å; R139-E143 PolarHBondContact NH1-OE1 3.01Å; R139-E143 IonicContact NH1-OE2 3.33Å; R139-E143 PolarHBondContact NH1-OE2 3.35Å; R139-E143 VanDerWaalsContact NH1-OE2 3.12Å; R139-E143 IonicContact NH2-OE1 2.84Å; R139-E143 IonicContact NH2-OE2 2.82Å; R139-E143 PolarHBondContact NH2-OE2 3.3Å; R139-E143 PolarHBondContact O-N 3.21Å
140Q85.3Confident87Confident49 Ų4959.5 Ų59.523%0.22929%0.291CS..Hα-helixtrans-65.7-41.7177.4-78177.290.700113.1V124 E136 H137 L142 E143 W144V124-Q140 HydrophobicContact CB-CB 4.31Å; V124-Q140 HydrophobicContact CG1-CB 3.59Å; V124-Q140 HydrophobicContact CG2-CB 3.78Å; V124-Q140 HydrophobicContact CG2-CG 4.26Å; E136-Q140 VanDerWaalsContact O-CB 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.49Å; E136-Q140 VanDerWaalsContact O-CG 3.23Å; E136-Q140 WeakPolarHBondContact O-CG 3.3Å; E136-Q140 PolarHBondContact O-N 3.07Å; E136-Q140 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-NE2 2.89Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.48Å; H137-Q140 PolarHBondContact O-N 2.81Å; Q140-L142 VanDerWaalsContact C-N 3.28Å; Q140-L142 PolarHBondContact O-N 2.86Å; Q140-E143 PolarHBondContact O-N 3.23Å; Q140-W144 WeakPolarHBondContact O-CB 3.5Å; Q140-W144 PolarHBondContact O-N 3.12Å
141W89.3Confident87.1Confident3 Ų360 Ų601%0.01129%0.294CS..Hα-helixtrans-59.8-41.2176.3164.773.4000111.2V126 W133 H137 V138 W144 A145 L167 L187 H190V126-W141 HydrophobicContact CG1-CB 4.26Å; W133-W141 HydrophobicContact CE3-CB 4.45Å; W133-W141 HydrophobicContact CH2-CB 3.85Å; W133-W141 AromaticContact CH2-CD1 3.55Å; W133-W141 AromaticContact CH2-CD2 3.72Å; W133-W141 HydrophobicContact CH2-CD2 3.72Å; W133-W141 AromaticContact CH2-CE2 4Å; W133-W141 HydrophobicContact CH2-CE3 4.45Å; W133-W141 AromaticContact CH2-CG 3.4Å; W133-W141 HydrophobicContact CH2-CG 3.4Å; W133-W141 VanDerWaalsContact CH2-CG 3.4Å; W133-W141 AromaticContact CH2-NE1 3.91Å; W133-W141 HydrophobicContact CZ2-CG 4.45Å; W133-W141 HydrophobicContact CZ3-CB 3.76Å; W133-W141 AromaticContact CZ3-CD2 3.49Å; W133-W141 HydrophobicContact CZ3-CD2 3.49Å; W133-W141 VanDerWaalsContact CZ3-CD2 3.49Å; W133-W141 AromaticContact CZ3-CE3 3.77Å; W133-W141 HydrophobicContact CZ3-CE3 3.77Å; W133-W141 AromaticContact CZ3-CG 3.49Å; W133-W141 HydrophobicContact CZ3-CG 3.49Å; W133-W141 VanDerWaalsContact CZ3-CG 3.49Å; H137-W141 WeakPolarHBondContact O-CB 3.47Å; H137-W141 PolarHBondContact O-N 3.04Å; V138-W141 PolarHBondContact O-N 3.41Å; W141-W144 AromaticContact CD1-CE3 3.88Å; W141-W144 PolarHBondContact O-N 3.37Å; W141-A145 WeakPolarHBondContact O-CB 3.33Å; W141-A145 PolarHBondContact O-N 2.92Å; W141-L167 HydrophobicContact CE3-CD2 4.04Å; W141-L167 HydrophobicContact CH2-CD2 4.37Å; W141-L167 HydrophobicContact CZ3-CD1 4.09Å; W141-L167 HydrophobicContact CZ3-CD2 3.76Å; W141-L187 HydrophobicContact CH2-CB 4.01Å; W141-L187 HydrophobicContact CH2-CD2 3.75Å; W141-L187 HydrophobicContact CH2-CG 4.41Å; W141-L187 HydrophobicContact CZ2-CB 4.39Å; W141-L187 HydrophobicContact CZ2-CD2 3.88Å; W141-L187 HydrophobicContact CZ3-CD2 4.34Å; W141-H190 AromaticContact NE1-CE1 3.72Å; W141-H190 AromaticContact NE1-CG 4Å; W141-H190 AromaticContact NE1-ND1 3.2Å; W141-H190 PolarHBondContact NE1-ND1 3.03Å; W141-H190 VanDerWaalsContact NE1-ND1 3.2Å
142L89.6Confident86.9Confident4 Ų464.4 Ų64.42%0.02131%0.313CS..Hα-helixtrans-65.9-44.9177.1-168.168.1000111.9V138 R139 Q140 W144 A145 I146 I154 T156 F159 L187V138-L142 WeakPolarHBondContact O-CB 3.43Å; V138-L142 PolarHBondContact O-N 3.29Å; R139-L142 PolarHBondContact O-N 3.34Å; Q140-L142 VanDerWaalsContact C-N 3.28Å; Q140-L142 PolarHBondContact O-N 2.86Å; L142-W144 VanDerWaalsContact C-N 3.28Å; L142-W144 PolarHBondContact O-N 3.41Å; L142-A145 PolarHBondContact O-N 3.28Å; L142-I146 HydrophobicContact CG-CD1 4.07Å; L142-I146 WeakPolarHBondContact O-CB 3.24Å; L142-I146 WeakPolarHBondContact O-CD1 3.12Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.38Å; L142-I146 PolarHBondContact O-N 2.84Å; L142-I154 HydrophobicContact CD1-CG2 4.16Å; L142-I154 HydrophobicContact CD2-CG2 4.06Å; L142-I154 HydrophobicContact CG-CG2 4.34Å; L142-T156 HydrophobicContact CD2-CG2 4.13Å; L142-F159 HydrophobicContact CD2-CB 3.75Å; L142-F159 HydrophobicContact CD2-CD2 3.44Å; L142-F159 VanDerWaalsContact CD2-CD2 3.44Å; L142-F159 HydrophobicContact CD2-CE2 4.18Å; L142-F159 HydrophobicContact CD2-CG 3.66Å; L142-L187 HydrophobicContact CD1-CD1 4.04Å; L142-L187 HydrophobicContact CD1-CD2 4.02Å
143E86.9Confident86.8Confident96 Ų9666.3 Ų66.345%0.44932%0.319SS..Hα-helixtrans-58.5-38.9173.4-74.7-176.5142.100112.5R139 Q140 K147R139-E143 IonicContact CZ-OE1 3.06Å; R139-E143 IonicContact CZ-OE2 3.3Å; R139-E143 IonicContact NH1-OE1 3.95Å; R139-E143 PolarHBondContact NH1-OE1 3.01Å; R139-E143 IonicContact NH1-OE2 3.33Å; R139-E143 PolarHBondContact NH1-OE2 3.35Å; R139-E143 VanDerWaalsContact NH1-OE2 3.12Å; R139-E143 IonicContact NH2-OE1 2.84Å; R139-E143 IonicContact NH2-OE2 2.82Å; R139-E143 PolarHBondContact NH2-OE2 3.3Å; R139-E143 PolarHBondContact O-N 3.21Å; Q140-E143 PolarHBondContact O-N 3.23Å; E143-K147 WeakPolarHBondContact O-CB 3.48Å; E143-K147 PolarHBondContact O-N 2.76Å
144W88.1Confident86.6Confident65 Ų6567.3 Ų67.325%0.24632%0.324CS..Hα-helixtrans-67.7-49174.5168.672.4000111.8V124 Q140 W141 L142 I146 K147 E148 Y149 H190V124-W144 HydrophobicContact CB-CB 4.2Å; V124-W144 HydrophobicContact CG2-CB 4.12Å; Q140-W144 WeakPolarHBondContact O-CB 3.5Å; Q140-W144 PolarHBondContact O-N 3.12Å; W141-W144 AromaticContact CD1-CE3 3.88Å; W141-W144 PolarHBondContact O-N 3.37Å; L142-W144 VanDerWaalsContact C-N 3.28Å; L142-W144 PolarHBondContact O-N 3.41Å; W144-I146 VanDerWaalsContact C-N 3.34Å; W144-I146 PolarHBondContact O-N 3.38Å; W144-K147 PolarHBondContact O-N 2.83Å; W144-E148 HydrophobicContact CD2-CB 4.46Å; W144-E148 HydrophobicContact CZ2-CB 3.94Å; W144-E148 HydrophobicContact CZ2-CG 3.73Å; W144-E148 PolarHBondContact NE1-OE2 2.89Å; W144-E148 WeakPolarHBondContact O-CB 3.49Å; W144-E148 PolarHBondContact O-N 2.83Å; W144-Y149 AromaticContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CZ3-CE2 4.1Å; W144-H190 AromaticContact CH2-CD2 3.83Å; W144-H190 AromaticContact CH2-NE2 3.34Å; W144-H190 VanDerWaalsContact CH2-NE2 3.34Å; W144-H190 WeakPolarHBondContact CH2-NE2 3.35Å; W144-H190 AromaticContact CZ3-CD2 3.88Å; W144-H190 AromaticContact CZ3-CE1 3.65Å; W144-H190 AromaticContact CZ3-NE2 3.43Å; W144-H190 WeakPolarHBondContact CZ3-NE2 3.32Å
145A87.6Confident86.5Confident1 Ų167.4 Ų67.41%0.00832%0.322CS..Hα-helixtrans-62.9-39.8-178.300000112.1W141 L142 K147 Y149 L187W141-A145 WeakPolarHBondContact O-CB 3.33Å; W141-A145 PolarHBondContact O-N 2.92Å; L142-A145 PolarHBondContact O-N 3.28Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 3.24Å; A145-Y149 HydrophobicContact CB-CD2 4.28Å; A145-Y149 WeakPolarHBondContact O-CD2 3.4Å; A145-Y149 PolarHBondContact O-N 2.9Å; A145-Y149 VanDerWaalsContact O-N 3.08Å; A145-L187 HydrophobicContact CB-CD2 3.71Å
146I88Confident86.3Confident50 Ų5065.9 Ų65.926%0.25632%0.32SS..Hα-helixtrans-53-48.3169.9-76163.6000110.7L142 W144 G150 L151 I154 T156L142-I146 HydrophobicContact CG-CD1 4.07Å; L142-I146 WeakPolarHBondContact O-CB 3.24Å; L142-I146 WeakPolarHBondContact O-CD1 3.12Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.38Å; L142-I146 PolarHBondContact O-N 2.84Å; W144-I146 VanDerWaalsContact C-N 3.34Å; W144-I146 PolarHBondContact O-N 3.38Å; I146-G150 CarbonylContact O-C 3.48Å; I146-G150 VanDerWaalsContact O-CA 3.3Å; I146-G150 WeakPolarHBondContact O-CA 3.45Å; I146-G150 PolarHBondContact O-N 3.33Å; I146-G150 VanDerWaalsContact O-N 3.12Å; I146-L151 PolarHBondContact O-N 2.91Å; I146-I154 HydrophobicContact CD1-CB 4.4Å; I146-I154 HydrophobicContact CD1-CD1 4.31Å; I146-I154 HydrophobicContact CD1-CG2 4.27Å; I146-I154 HydrophobicContact CG1-CD1 3.63Å; I146-T156 HydrophobicContact CD1-CG2 3.95Å
147K85.4Confident86.4Confident145 Ų14565.1 Ų65.163%0.6332%0.323SS*.Hα-helixtrans-74.9-41.5-175.9-172.2-167.7171.2-155.20113.4E143 W144 A145E143-K147 WeakPolarHBondContact O-CB 3.48Å; E143-K147 PolarHBondContact O-N 2.76Å; W144-K147 PolarHBondContact O-N 2.83Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 3.24Å
148E84.9Confident86.4Confident124 Ų12466.8 Ų66.858%0.57933%0.33SS*.Hα-helixtrans-76.8-41.3-172.9-158.779.1-137.300111.7W144W144-E148 HydrophobicContact CD2-CB 4.46Å; W144-E148 HydrophobicContact CZ2-CB 3.94Å; W144-E148 HydrophobicContact CZ2-CG 3.73Å; W144-E148 PolarHBondContact NE1-OE2 2.89Å; W144-E148 WeakPolarHBondContact O-CB 3.49Å; W144-E148 PolarHBondContact O-N 2.83Å
149Y84.8Confident86.2Confident103 Ų10366.9 Ų66.940%0.40433%0.331SS..Hα-helixtrans-95.3-0.4178.9-58-71.2000113.6W144 A145 L151 V186 H190W144-Y149 AromaticContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CZ3-CE2 4.1Å; A145-Y149 HydrophobicContact CB-CD2 4.28Å; A145-Y149 WeakPolarHBondContact O-CD2 3.4Å; A145-Y149 PolarHBondContact O-N 2.9Å; A145-Y149 VanDerWaalsContact O-N 3.08Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 3.33Å; Y149-V186 HydrophobicContact CD1-CG1 4.13Å; Y149-V186 HydrophobicContact CD2-CG1 3.71Å; Y149-V186 HydrophobicContact CE2-CG1 4.16Å; Y149-V186 HydrophobicContact CG-CG1 3.7Å; Y149-H190 PolarHBondContact OH-CD2 3.37Å
150G85.2Confident86Confident49 Ų4967.8 Ų67.851%0.50534%0.338SS..THydrogen-bonded Turntrans66.929.5178.700000114.1I146 M152I146-G150 CarbonylContact O-C 3.48Å; I146-G150 VanDerWaalsContact O-CA 3.3Å; I146-G150 WeakPolarHBondContact O-CA 3.45Å; I146-G150 PolarHBondContact O-N 3.33Å; I146-G150 VanDerWaalsContact O-N 3.12Å; G150-M152 PolarHBondContact O-N 3.42Å
151L87.6Confident86.1Confident10 Ų1071.3 Ų71.35%0.05236%0.359CS..  trans-71.6122-173-47.3179.1000110.5I146 Y149 I154 Y182 V186 L187I146-L151 PolarHBondContact O-N 2.91Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 3.33Å; L151-I154 HydrophobicContact CB-CD1 3.55Å; L151-I154 HydrophobicContact CD1-CD1 3.77Å; L151-I154 HydrophobicContact CG-CD1 4.31Å; L151-Y182 HydrophobicContact CD2-CE1 4.03Å; L151-V186 HydrophobicContact CD1-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CB 4.44Å; L151-V186 HydrophobicContact CD2-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CG2 4.42Å; L151-L187 HydrophobicContact CD1-CD2 4.11Å; L151-L187 HydrophobicContact CD1-CG 4.22Å
152M81.9Confident86.1Confident140 Ų14072.2 Ų72.269%0.6936%0.363SS*.  trans-102.8158.9171.961.4-167.971.500110.6G150 N183G150-M152 PolarHBondContact O-N 3.42Å; M152-N183 PolarHBondContact O-ND2 2.93Å
153E80.3Confident86.1Confident156 Ų15674.3 Ų74.373%0.72938%0.375SS*.SBendtrans60.954.6176-52.4-175.5153.800114T179 T180E153-T179 PolarHBondContact O-OG1 3.01Å; E153-T180 HydrophobicContact CB-CG2 4.42Å
154I86.3Confident86.1Confident26 Ų2669.8 Ų69.813%0.13335%0.353CS..BIsolated β-bridgetrans-109.2127.1167.2-74.7162.5000108.9L142 I146 L151 T156 F159 T179 N183 L187L142-I154 HydrophobicContact CD1-CG2 4.16Å; L142-I154 HydrophobicContact CD2-CG2 4.06Å; L142-I154 HydrophobicContact CG-CG2 4.34Å; I146-I154 HydrophobicContact CD1-CB 4.4Å; I146-I154 HydrophobicContact CD1-CD1 4.31Å; I146-I154 HydrophobicContact CD1-CG2 4.27Å; I146-I154 HydrophobicContact CG1-CD1 3.63Å; L151-I154 HydrophobicContact CB-CD1 3.55Å; L151-I154 HydrophobicContact CD1-CD1 3.77Å; L151-I154 HydrophobicContact CG-CD1 4.31Å; I154-T156 HydrophobicContact CG2-CG2 4.26Å; I154-T156 PolarHBondContact O-N 2.92Å; I154-T156 VanDerWaalsContact O-N 3.16Å; I154-F159 HydrophobicContact CG2-CE2 4.28Å; I154-T179 HydrophobicContact CG1-CG2 4.34Å; I154-T179 WeakPolarHBondContact CG1-OG1 3.44Å; I154-N183 HydrophobicContact CD1-CB 4.39Å; I154-N183 HydrophobicContact CG1-CB 4.34Å; I154-L187 HydrophobicContact CD1-CD1 4.3Å
155D85.5Confident86.2Confident72 Ų7272 Ų7239%0.38537%0.365SS..  trans-76.696.2168.5-177.91.9000110.1S157 F158 F159 A178D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 WeakPolarHBondContact OD1-CA 3.46Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 3.25Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.96Å; D155-S157 PolarHBondContact OD2-OG 3.38Å; D155-F158 HydrophobicContact CB-CB 4.49Å; D155-F158 WeakPolarHBondContact O-CB 3.36Å; D155-F158 PolarHBondContact O-N 3.12Å; D155-F158 PolarHBondContact OD1-N 2.96Å; D155-F159 VanDerWaalsContact O-CD2 3.28Å; D155-F159 WeakPolarHBondContact O-CD2 3.46Å; D155-A178 WeakPolarHBondContact CB-O 3.11Å; D155-A178 PolarHBondContact N-O 3.27Å
156T85.1Confident86.2Confident80 Ų8076.6 Ų76.649%0.49139%0.386SS..Hα-helixtrans-68.6-18.2176.954.90000113.2L142 I146 I154 F158 F159 Q160L142-T156 HydrophobicContact CD2-CG2 4.13Å; I146-T156 HydrophobicContact CD1-CG2 3.95Å; I154-T156 HydrophobicContact CG2-CG2 4.26Å; I154-T156 PolarHBondContact O-N 2.92Å; I154-T156 VanDerWaalsContact O-N 3.16Å; T156-F158 VanDerWaalsContact C-N 3.32Å; T156-F159 PolarHBondContact O-N 2.92Å; T156-Q160 PolarHBondContact O-N 3.28Å
157S86.1Confident86.3Confident61 Ų6174.2 Ų74.243%0.42737%0.374SS..Hα-helixtrans-72.4-28178.681.70000112.2D155 F159 Q160D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 WeakPolarHBondContact OD1-CA 3.46Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 3.25Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.96Å; D155-S157 PolarHBondContact OD2-OG 3.38Å; S157-F159 VanDerWaalsContact C-N 3.29Å; S157-F159 PolarHBondContact O-N 3.1Å; S157-Q160 VanDerWaalsContact O-CG 3.25Å; S157-Q160 WeakPolarHBondContact O-CG 3.24Å; S157-Q160 PolarHBondContact O-NE2 2.92Å
158F87.4Confident86.5Confident85 Ų8568.3 Ų68.337%0.37335%0.351SS..Hα-helixtrans-61.8-36.7173-168.7-83.8000112.2D155 T156 M162 M170 R177 A178D155-F158 HydrophobicContact CB-CB 4.49Å; D155-F158 WeakPolarHBondContact O-CB 3.36Å; D155-F158 PolarHBondContact O-N 3.12Å; D155-F158 PolarHBondContact OD1-N 2.96Å; T156-F158 VanDerWaalsContact C-N 3.32Å; F158-M162 HydrophobicContact CD1-CE 4.21Å; F158-M162 HydrophobicContact CE1-CE 4.18Å; F158-M170 HydrophobicContact CD1-CE 4.49Å; F158-M170 HydrophobicContact CE1-CE 3.73Å; F158-M170 HydrophobicContact CE1-SD 4.42Å; F158-R177 HydrophobicContact CE2-CB 4.5Å; F158-A178 HydrophobicContact CB-CB 3.85Å; F158-A178 HydrophobicContact CD1-CB 3.64Å; F158-A178 HydrophobicContact CD2-CB 4.01Å; F158-A178 HydrophobicContact CE1-CB 4.18Å; F158-A178 HydrophobicContact CE2-CB 4.49Å; F158-A178 HydrophobicContact CG-CB 3.55Å
159F86.1Confident86.6Confident1 Ų170.1 Ų70.10%0.00436%0.357CS..Hα-helixtrans-92.2-12.3-175.1-60.6-87000114.4V138 L142 I154 D155 T156 S157 N161 M162 L167 M170 F175 A178V138-F159 HydrophobicContact CG1-CB 4.46Å; L142-F159 HydrophobicContact CD2-CB 3.75Å; L142-F159 HydrophobicContact CD2-CD2 3.44Å; L142-F159 VanDerWaalsContact CD2-CD2 3.44Å; L142-F159 HydrophobicContact CD2-CE2 4.18Å; L142-F159 HydrophobicContact CD2-CG 3.66Å; I154-F159 HydrophobicContact CG2-CE2 4.28Å; D155-F159 VanDerWaalsContact O-CD2 3.28Å; D155-F159 WeakPolarHBondContact O-CD2 3.46Å; T156-F159 PolarHBondContact O-N 2.92Å; S157-F159 VanDerWaalsContact C-N 3.29Å; S157-F159 PolarHBondContact O-N 3.1Å; F159-N161 VanDerWaalsContact C-N 3.27Å; F159-N161 PolarHBondContact O-N 3.17Å; F159-N161 VanDerWaalsContact O-N 3.1Å; F159-M162 HydrophobicContact CB-CE 4.49Å; F159-M162 HydrophobicContact CD1-CE 3.42Å; F159-M162 VanDerWaalsContact CD1-CE 3.42Å; F159-M162 HydrophobicContact CE1-CE 3.93Å; F159-M162 HydrophobicContact CG-CE 4.23Å; F159-M162 PolarHBondContact O-N 3.3Å; F159-L167 HydrophobicContact CD1-CD1 4.08Å; F159-L167 HydrophobicContact CE1-CD1 4.09Å; F159-M170 HydrophobicContact CE1-CE 3.98Å; F159-M170 HydrophobicContact CE1-SD 4.07Å; F159-M170 HydrophobicContact CZ-CE 4.36Å; F159-F175 HydrophobicContact CE1-CD1 4.1Å; F159-F175 AromaticContact CE1-CE1 3.72Å; F159-F175 HydrophobicContact CE1-CE1 3.72Å; F159-F175 AromaticContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CE1 4.01Å; F159-A178 HydrophobicContact CE2-CB 3.58Å; F159-A178 HydrophobicContact CZ-CB 3.74Å
160Q84.8Confident86.7Confident103 Ų10366.1 Ų66.148%0.48134%0.342SS..THydrogen-bonded Turntrans-60.4-27.9-164.575.2-167.1-36.400115.8T156 S157T156-Q160 PolarHBondContact O-N 3.28Å; S157-Q160 VanDerWaalsContact O-CG 3.25Å; S157-Q160 WeakPolarHBondContact O-CG 3.24Å; S157-Q160 PolarHBondContact O-NE2 2.92Å
161N86.8Confident86.8Confident123 Ų12367.4 Ų67.466%0.65834%0.337SS*.THydrogen-bonded Turntrans-113.13.5-176-70.7-23.1000113.4F159F159-N161 VanDerWaalsContact C-N 3.27Å; F159-N161 PolarHBondContact O-N 3.17Å; F159-N161 VanDerWaalsContact O-N 3.1Å
162M89.2Confident86.9Confident22 Ų2271 Ų7111%0.10835%0.352CS..  trans-90.9136.1-168.1-172.9156.943.700111.8Q135 V138 F158 F159 E166 L167 M170Q135-M162 WeakPolarHBondContact CA-O 3.26Å; V138-M162 WeakPolarHBondContact CG2-O 3.31Å; F158-M162 HydrophobicContact CD1-CE 4.21Å; F158-M162 HydrophobicContact CE1-CE 4.18Å; F159-M162 HydrophobicContact CB-CE 4.49Å; F159-M162 HydrophobicContact CD1-CE 3.42Å; F159-M162 VanDerWaalsContact CD1-CE 3.42Å; F159-M162 HydrophobicContact CE1-CE 3.93Å; F159-M162 HydrophobicContact CG-CE 4.23Å; F159-M162 PolarHBondContact O-N 3.3Å; M162-E166 HydrophobicContact CG-CB 3.45Å; M162-E166 VanDerWaalsContact CG-CB 3.45Å; M162-E166 HydrophobicContact SD-CB 3.97Å; M162-L167 HydrophobicContact CE-CD1 4.24Å; M162-M170 HydrophobicContact CE-CE 4.43Å; M162-M170 HydrophobicContact CE-SD 3.36Å; M162-M170 WeakPolarHBondContact CE-SD 3.43Å; M162-M170 HydrophobicContact SD-CG 4.23Å; M162-M170 HydrophobicContact SD-SD 3.75Å
163D89.1Confident87.2Confident49 Ų4970.1 Ų70.126%0.26235%0.347SS..  trans-86.6169.9176.4103.5-17.8000113K165 E166 L167D163-K165 PolarHBondContact O-N 2.92Å; D163-K165 VanDerWaalsContact OD1-CA 3.31Å; D163-K165 WeakPolarHBondContact OD1-CA 3.44Å; D163-K165 VanDerWaalsContact OD1-CB 3.26Å; D163-K165 WeakPolarHBondContact OD1-CB 3.34Å; D163-K165 PolarHBondContact OD1-N 2.87Å; D163-E166 PolarHBondContact N-OE2 3.15Å; D163-E166 PolarHBondContact O-N 3.27Å; D163-E166 PolarHBondContact OD1-N 2.76Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 PolarHBondContact O-N 2.69Å
164G88.6Confident87.7Confident0 Ų064.5 Ų64.50%032%0.322CS..Hα-helixtrans-62-27.418000000115.4P130 W133 C168P130-G164 CarbonylContact O-C 3.59Å; P130-G164 WeakPolarHBondContact O-CA 3.4Å; W133-G164 PolarHBondContact O-N 3.39Å; G164-C168 VanDerWaalsContact O-CB 3.29Å; G164-C168 WeakPolarHBondContact O-CB 3.41Å; G164-C168 PolarHBondContact O-N 2.82Å; G164-C168 PolarHBondContact O-SG 3.45Å
165K88.6Confident87.8Confident113 Ų11363.2 Ų63.249%0.49132%0.315SS..Hα-helixtrans-82.4-31.5-179.5-56.7164.9-173.3153.60110.8T131 D163 K169T131-K165 VanDerWaalsContact O-CE 3.25Å; T131-K165 WeakPolarHBondContact O-CE 3.28Å; T131-K165 VanDerWaalsContact O-CG 3.24Å; T131-K165 WeakPolarHBondContact O-CG 3.31Å; D163-K165 PolarHBondContact O-N 2.92Å; D163-K165 VanDerWaalsContact OD1-CA 3.31Å; D163-K165 WeakPolarHBondContact OD1-CA 3.44Å; D163-K165 VanDerWaalsContact OD1-CB 3.26Å; D163-K165 WeakPolarHBondContact OD1-CB 3.34Å; D163-K165 PolarHBondContact OD1-N 2.87Å; K165-K169 VanDerWaalsContact O-CD 3.27Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CE 3.43Å; K165-K169 WeakPolarHBondContact O-CG 3.47Å; K165-K169 PolarHBondContact O-N 2.87Å
166E89.4Confident88Confident96 Ų9663.4 Ų63.445%0.44932%0.316SS..Hα-helixtrans-70.3-47.8169.5-67.9177141.200110.7M162 D163 C168 K169 M170M162-E166 HydrophobicContact CG-CB 3.45Å; M162-E166 VanDerWaalsContact CG-CB 3.45Å; M162-E166 HydrophobicContact SD-CB 3.97Å; D163-E166 PolarHBondContact N-OE2 3.15Å; D163-E166 PolarHBondContact O-N 3.27Å; D163-E166 PolarHBondContact OD1-N 2.76Å; E166-C168 VanDerWaalsContact C-N 3.26Å; E166-C168 PolarHBondContact O-N 2.58Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 3.22Å; E166-M170 PolarHBondContact O-N 2.77Å; E166-M170 VanDerWaalsContact O-N 3.15Å
167L89.8Confident88.2Confident0 Ų066.6 Ų66.60%032%0.319CS..Hα-helixtrans-55.5-40.5172.7-171.874.6000111.9W133 V138 W141 F159 M162 D163 K169 M170 F175 L191W133-L167 HydrophobicContact CE3-CD2 3.75Å; W133-L167 HydrophobicContact CZ3-CD2 3.66Å; V138-L167 HydrophobicContact CG1-CD1 4.38Å; V138-L167 HydrophobicContact CG1-CD2 4.25Å; V138-L167 HydrophobicContact CG2-CD2 4.17Å; W141-L167 HydrophobicContact CE3-CD2 4.04Å; W141-L167 HydrophobicContact CH2-CD2 4.37Å; W141-L167 HydrophobicContact CZ3-CD1 4.09Å; W141-L167 HydrophobicContact CZ3-CD2 3.76Å; F159-L167 HydrophobicContact CD1-CD1 4.08Å; F159-L167 HydrophobicContact CE1-CD1 4.09Å; M162-L167 HydrophobicContact CE-CD1 4.24Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 PolarHBondContact O-N 2.69Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 3.08Å; L167-M170 HydrophobicContact CD1-SD 3.96Å; L167-M170 PolarHBondContact O-N 3.35Å; L167-F175 HydrophobicContact CD1-CE1 4.2Å; L167-F175 HydrophobicContact CD1-CZ 3.74Å; L167-F175 HydrophobicContact CG-CZ 4.47Å; L167-L191 HydrophobicContact CD2-CD1 3.91Å; L167-L191 HydrophobicContact CD2-CD2 4.47Å; L167-L191 HydrophobicContact CG-CD1 4.39Å; L167-L191 HydrophobicContact CG-CD2 4.1Å
168C88.9Confident88.2Confident22 Ų2264 Ų6415%0.14930%0.301CS..THydrogen-bonded Turntrans-72-13.2175.7-74.50000115.4T131 G164 E166T131-C168 HydrophobicContact CG2-CB 4.24Å; G164-C168 VanDerWaalsContact O-CB 3.29Å; G164-C168 WeakPolarHBondContact O-CB 3.41Å; G164-C168 PolarHBondContact O-N 2.82Å; G164-C168 PolarHBondContact O-SG 3.45Å; E166-C168 VanDerWaalsContact C-N 3.26Å; E166-C168 PolarHBondContact O-N 2.58Å
169K87.5Confident88.2Confident161 Ų16160.5 Ų60.570%0.729%0.286SS*.THydrogen-bonded Turntrans-94.7-21.5175.6-72.5162.4-168.5167.80112.8K165 E166 L167 N171K165-K169 VanDerWaalsContact O-CD 3.27Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CE 3.43Å; K165-K169 WeakPolarHBondContact O-CG 3.47Å; K165-K169 PolarHBondContact O-N 2.87Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 3.22Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 3.08Å; K169-N171 PolarHBondContact O-N 3.34Å
170M87.1Confident88.4Confident20 Ų2063 Ų6310%0.09930%0.302CS..  trans-54.1131.6175.9-73.6-18072.300110.8F158 F159 M162 E166 L167 D174 F175F158-M170 HydrophobicContact CD1-CE 4.49Å; F158-M170 HydrophobicContact CE1-CE 3.73Å; F158-M170 HydrophobicContact CE1-SD 4.42Å; F159-M170 HydrophobicContact CE1-CE 3.98Å; F159-M170 HydrophobicContact CE1-SD 4.07Å; F159-M170 HydrophobicContact CZ-CE 4.36Å; M162-M170 HydrophobicContact CE-CE 4.43Å; M162-M170 HydrophobicContact CE-SD 3.36Å; M162-M170 WeakPolarHBondContact CE-SD 3.43Å; M162-M170 HydrophobicContact SD-CG 4.23Å; M162-M170 HydrophobicContact SD-SD 3.75Å; E166-M170 PolarHBondContact O-N 2.77Å; E166-M170 VanDerWaalsContact O-N 3.15Å; L167-M170 HydrophobicContact CD1-SD 3.96Å; L167-M170 PolarHBondContact O-N 3.35Å; M170-D174 WeakPolarHBondContact CA-OD2 3.29Å; M170-D174 HydrophobicContact CB-CB 3.91Å; M170-D174 VanDerWaalsContact CE-C 3.48Å; M170-D174 HydrophobicContact CE-CB 3.68Å; M170-D174 HydrophobicContact CG-CB 3.96Å; M170-F175 HydrophobicContact CB-CD2 3.88Å; M170-F175 HydrophobicContact CB-CE2 3.55Å; M170-F175 HydrophobicContact CB-CZ 4.4Å; M170-F175 HydrophobicContact CE-CB 4.32Å; M170-F175 HydrophobicContact CE-CD1 3.91Å; M170-F175 HydrophobicContact CE-CD2 3.71Å; M170-F175 HydrophobicContact CE-CE1 4.11Å; M170-F175 HydrophobicContact CE-CE2 3.92Å; M170-F175 HydrophobicContact CE-CG 3.71Å; M170-F175 HydrophobicContact CE-CZ 4.11Å; M170-F175 HydrophobicContact CG-CE2 4.38Å; M170-F175 HydrophobicContact SD-CD2 4.35Å; M170-F175 HydrophobicContact SD-CE1 4.37Å; M170-F175 HydrophobicContact SD-CE2 3.95Å; M170-F175 HydrophobicContact SD-CZ 3.96Å
171N86.6Confident88.6Confident76 Ų7662.6 Ų62.641%0.40630%0.303SS..  trans-93.7178.5169.367.760.5000110.7K169 E173 D174 F175K169-N171 PolarHBondContact O-N 3.34Å; N171-E173 PolarHBondContact O-N 3.43Å; N171-E173 WeakPolarHBondContact OD1-CA 3.47Å; N171-E173 WeakPolarHBondContact OD1-CB 3.27Å; N171-E173 PolarHBondContact OD1-N 2.92Å; N171-D174 PolarHBondContact N-OD2 2.92Å; N171-D174 PolarHBondContact ND2-OD2 3.32Å; N171-D174 WeakPolarHBondContact O-CB 3.37Å; N171-D174 PolarHBondContact O-N 3.2Å; N171-D174 VanDerWaalsContact O-N 3.09Å; N171-D174 PolarHBondContact OD1-N 3.5Å; N171-D174 PolarHBondContact OD1-OD2 3.44Å; N171-F175 PolarHBondContact O-N 2.77Å
172K89.1Confident88.6Confident84 Ų8464.1 Ų64.137%0.36530%0.3SS..Hα-helixtrans-59.2-31.2-179.6-179.9163176.6159.40113.4L176 T184 E185 L188K172-L176 HydrophobicContact CG-CD1 4.14Å; K172-L176 WeakPolarHBondContact O-CB 3.48Å; K172-L176 WeakPolarHBondContact O-CD1 3.2Å; K172-L176 VanDerWaalsContact O-CG 3.27Å; K172-L176 WeakPolarHBondContact O-CG 3.48Å; K172-L176 PolarHBondContact O-N 3.43Å; K172-T184 HydrophobicContact CG-CG2 3.93Å; K172-E185 WeakPolarHBondContact CE-OE1 3.08Å; K172-E185 IonicContact NZ-OE1 3.78Å; K172-E185 PolarHBondContact NZ-OE1 3.07Å; K172-E185 IonicContact NZ-OE2 3.5Å; K172-E185 PolarHBondContact NZ-OE2 3.34Å; K172-L188 HydrophobicContact CB-CD2 4.34Å
173E89.5Confident88.7Confident123 Ų12363.2 Ų63.258%0.57530%0.296SS*.Hα-helixtrans-74.1-31.2176.1-50.9-176.7178.800112.7N171 L176 R177N171-E173 PolarHBondContact O-N 3.43Å; N171-E173 WeakPolarHBondContact OD1-CA 3.47Å; N171-E173 WeakPolarHBondContact OD1-CB 3.27Å; N171-E173 PolarHBondContact OD1-N 2.92Å; E173-L176 PolarHBondContact O-N 3.45Å; E173-R177 WeakPolarHBondContact O-CG 3.35Å; E173-R177 PolarHBondContact O-N 3.24Å; E173-R177 VanDerWaalsContact O-N 3.1Å
174D89.3Confident88.7Confident37 Ų3760.9 Ų60.920%0.19828%0.284CS..Hα-helixtrans-67.7-42.9175.3-60.9-50.4000111.1M170 N171 R177M170-D174 WeakPolarHBondContact CA-OD2 3.29Å; M170-D174 HydrophobicContact CB-CB 3.91Å; M170-D174 VanDerWaalsContact CE-C 3.48Å; M170-D174 HydrophobicContact CE-CB 3.68Å; M170-D174 HydrophobicContact CG-CB 3.96Å; N171-D174 PolarHBondContact N-OD2 2.92Å; N171-D174 PolarHBondContact ND2-OD2 3.32Å; N171-D174 WeakPolarHBondContact O-CB 3.37Å; N171-D174 PolarHBondContact O-N 3.2Å; N171-D174 VanDerWaalsContact O-N 3.09Å; N171-D174 PolarHBondContact OD1-N 3.5Å; N171-D174 PolarHBondContact OD1-OD2 3.44Å; D174-R177 WeakPolarHBondContact O-CB 3.43Å; D174-R177 PolarHBondContact O-N 2.9Å; D174-R177 IonicContact OD1-CZ 3.12Å; D174-R177 IonicContact OD1-NE 2.84Å; D174-R177 IonicContact OD1-NH2 3.42Å; D174-R177 PolarHBondContact OD1-NH2 3.38Å
175F89.3Confident88.7Confident0 Ų065.1 Ų65.10%030%0.303CS..Hα-helixtrans-65.9-39.5172.8-81.9-82.7000112F159 L167 M170 N171 R177 A178 T179 T184 L187 L188 L191F159-F175 HydrophobicContact CE1-CD1 4.1Å; F159-F175 AromaticContact CE1-CE1 3.72Å; F159-F175 HydrophobicContact CE1-CE1 3.72Å; F159-F175 AromaticContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CE1 4.01Å; L167-F175 HydrophobicContact CD1-CE1 4.2Å; L167-F175 HydrophobicContact CD1-CZ 3.74Å; L167-F175 HydrophobicContact CG-CZ 4.47Å; M170-F175 HydrophobicContact CB-CD2 3.88Å; M170-F175 HydrophobicContact CB-CE2 3.55Å; M170-F175 HydrophobicContact CB-CZ 4.4Å; M170-F175 HydrophobicContact CE-CB 4.32Å; M170-F175 HydrophobicContact CE-CD1 3.91Å; M170-F175 HydrophobicContact CE-CD2 3.71Å; M170-F175 HydrophobicContact CE-CE1 4.11Å; M170-F175 HydrophobicContact CE-CE2 3.92Å; M170-F175 HydrophobicContact CE-CG 3.71Å; M170-F175 HydrophobicContact CE-CZ 4.11Å; M170-F175 HydrophobicContact CG-CE2 4.38Å; M170-F175 HydrophobicContact SD-CD2 4.35Å; M170-F175 HydrophobicContact SD-CE1 4.37Å; M170-F175 HydrophobicContact SD-CE2 3.95Å; M170-F175 HydrophobicContact SD-CZ 3.96Å; N171-F175 PolarHBondContact O-N 2.77Å; F175-R177 PolarHBondContact O-N 3.25Å; F175-A178 PolarHBondContact O-N 3.05Å; F175-T179 PolarHBondContact O-N 3.08Å; F175-T184 HydrophobicContact CB-CG2 3.54Å; F175-T184 HydrophobicContact CG-CG2 4.49Å; F175-L187 HydrophobicContact CD1-CB 4.34Å; F175-L187 HydrophobicContact CD1-CD1 4.29Å; F175-L187 HydrophobicContact CE1-CB 4.11Å; F175-L187 HydrophobicContact CE1-CD1 4.35Å; F175-L188 HydrophobicContact CD2-CD1 4.41Å; F175-L188 HydrophobicContact CE2-CD1 4.13Å; F175-L191 HydrophobicContact CZ-CD2 4.4Å
176L90.8Very high88.8Confident75 Ų7561.1 Ų61.139%0.39329%0.288SS..Hα-helixtrans-63.2-20174.5-82167.7000114.3K172 E173 T179 L181 T184K172-L176 HydrophobicContact CG-CD1 4.14Å; K172-L176 WeakPolarHBondContact O-CB 3.48Å; K172-L176 WeakPolarHBondContact O-CD1 3.2Å; K172-L176 VanDerWaalsContact O-CG 3.27Å; K172-L176 WeakPolarHBondContact O-CG 3.48Å; K172-L176 PolarHBondContact O-N 3.43Å; E173-L176 PolarHBondContact O-N 3.45Å; L176-T179 WeakPolarHBondContact CA-O 3.45Å; L176-L181 HydrophobicContact CD1-CD1 4.36Å; L176-L181 HydrophobicContact CD2-CB 3.84Å; L176-L181 HydrophobicContact CD2-CD1 4.02Å; L176-T184 HydrophobicContact CG-CG2 4.34Å; L176-T184 PolarHBondContact N-OG1 2.8Å
177R87.9Confident88.9Confident147 Ų14756.6 Ų56.656%0.55527%0.267SS*.Hα-helixtrans-76.5-23.6170.9-77.8180-89.7-84.26.7112.9F158 E173 D174 F175F158-R177 HydrophobicContact CE2-CB 4.5Å; E173-R177 WeakPolarHBondContact O-CG 3.35Å; E173-R177 PolarHBondContact O-N 3.24Å; E173-R177 VanDerWaalsContact O-N 3.1Å; D174-R177 WeakPolarHBondContact O-CB 3.43Å; D174-R177 PolarHBondContact O-N 2.9Å; D174-R177 IonicContact OD1-CZ 3.12Å; D174-R177 IonicContact OD1-NE 2.84Å; D174-R177 IonicContact OD1-NH2 3.42Å; D174-R177 PolarHBondContact OD1-NH2 3.38Å; F175-R177 PolarHBondContact O-N 3.25Å
178A85.6Confident88.9Confident6 Ų659 Ų595%0.0528%0.28CS..Hα-helixtrans-106-18-176.100000113.8D155 F158 F159 F175D155-A178 WeakPolarHBondContact CB-O 3.11Å; D155-A178 PolarHBondContact N-O 3.27Å; F158-A178 HydrophobicContact CB-CB 3.85Å; F158-A178 HydrophobicContact CD1-CB 3.64Å; F158-A178 HydrophobicContact CD2-CB 4.01Å; F158-A178 HydrophobicContact CE1-CB 4.18Å; F158-A178 HydrophobicContact CE2-CB 4.49Å; F158-A178 HydrophobicContact CG-CB 3.55Å; F159-A178 HydrophobicContact CE2-CB 3.58Å; F159-A178 HydrophobicContact CZ-CB 3.74Å; F175-A178 PolarHBondContact O-N 3.05Å
179T89.3Confident88.9Confident12 Ų1261.4 Ų61.47%0.07430%0.297CS..BIsolated β-bridgetrans-162.6172.1-179.5-165.30000113.6E153 I154 F175 L176 N183 L187E153-T179 PolarHBondContact O-OG1 3.01Å; I154-T179 HydrophobicContact CG1-CG2 4.34Å; I154-T179 WeakPolarHBondContact CG1-OG1 3.44Å; F175-T179 PolarHBondContact O-N 3.08Å; L176-T179 WeakPolarHBondContact CA-O 3.45Å; T179-N183 HydrophobicContact CG2-CB 3.67Å; T179-N183 VanDerWaalsContact OG1-CB 3.31Å; T179-N183 WeakPolarHBondContact OG1-CB 3.27Å; T179-N183 PolarHBondContact OG1-ND2 3.48Å; T179-L187 HydrophobicContact CG2-CD1 4.28Å
180T90Very high88.9Confident53 Ų5355.2 Ų55.233%0.32527%0.27SS..  trans-59.7160.8179.173.80000113.1E153 Y182 N183 T184E153-T180 HydrophobicContact CB-CG2 4.42Å; T180-Y182 VanDerWaalsContact C-N 3.29Å; T180-Y182 PolarHBondContact O-N 3.22Å; T180-N183 PolarHBondContact O-N 3.46Å; T180-N183 VanDerWaalsContact OG1-CG 3.24Å; T180-N183 PolarHBondContact OG1-N 3.38Å; T180-N183 PolarHBondContact OG1-ND2 3.09Å; T180-T184 WeakPolarHBondContact O-CB 3.17Å; T180-T184 PolarHBondContact O-N 3.25Å; T180-T184 PolarHBondContact O-OG1 3.08Å
181L87.4Confident89Confident95 Ų9554.5 Ų54.550%0.49727%0.267SS..Hα-helixtrans-57.8-39.7175.5179.363.2000112.6L176 T184 E185L176-L181 HydrophobicContact CD1-CD1 4.36Å; L176-L181 HydrophobicContact CD2-CB 3.84Å; L176-L181 HydrophobicContact CD2-CD1 4.02Å; L181-T184 WeakPolarHBondContact O-CB 3.49Å; L181-T184 PolarHBondContact O-N 3.38Å; L181-E185 WeakPolarHBondContact O-CG 3.01Å; L181-E185 PolarHBondContact O-N 3.43Å; L181-E185 VanDerWaalsContact O-N 3.11Å
182Y88.4Confident88.9Confident155 Ų15553.9 Ų53.961%0.60827%0.269SS*.Hα-helixtrans-62.8-51.1178.9174.1-105.3000111.4L151 T180 T184 E185 V186L151-Y182 HydrophobicContact CD2-CE1 4.03Å; T180-Y182 VanDerWaalsContact C-N 3.29Å; T180-Y182 PolarHBondContact O-N 3.22Å; Y182-T184 VanDerWaalsContact C-N 3.27Å; Y182-T184 PolarHBondContact O-N 2.79Å; Y182-E185 PolarHBondContact O-N 3.08Å; Y182-V186 HydrophobicContact CE1-CG2 4.35Å; Y182-V186 HydrophobicContact CE2-CG2 4.36Å; Y182-V186 WeakPolarHBondContact O-CG2 3.47Å; Y182-V186 PolarHBondContact O-N 2.99Å
183N89.8Confident88.7Confident4 Ų456.8 Ų56.82%0.02128%0.278CS..Hα-helixtrans-62.3-36.9178.1-61.3-13.8000111.4M152 I154 T179 T180 V186 L187M152-N183 PolarHBondContact O-ND2 2.93Å; I154-N183 HydrophobicContact CD1-CB 4.39Å; I154-N183 HydrophobicContact CG1-CB 4.34Å; T179-N183 HydrophobicContact CG2-CB 3.67Å; T179-N183 VanDerWaalsContact OG1-CB 3.31Å; T179-N183 WeakPolarHBondContact OG1-CB 3.27Å; T179-N183 PolarHBondContact OG1-ND2 3.48Å; T180-N183 PolarHBondContact O-N 3.46Å; T180-N183 VanDerWaalsContact OG1-CG 3.24Å; T180-N183 PolarHBondContact OG1-N 3.38Å; T180-N183 PolarHBondContact OG1-ND2 3.09Å; N183-V186 PolarHBondContact O-N 2.86Å; N183-L187 WeakPolarHBondContact O-CB 3.18Å; N183-L187 VanDerWaalsContact O-CG 3.28Å; N183-L187 WeakPolarHBondContact O-CG 3.38Å; N183-L187 PolarHBondContact O-N 3.02Å
184T90.4Very high88.5Confident0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-57.9-48.9175.2-65.70000111.8K172 F175 L176 T180 L181 Y182 V186 L188K172-T184 HydrophobicContact CG-CG2 3.93Å; F175-T184 HydrophobicContact CB-CG2 3.54Å; F175-T184 HydrophobicContact CG-CG2 4.49Å; L176-T184 HydrophobicContact CG-CG2 4.34Å; L176-T184 PolarHBondContact N-OG1 2.8Å; T180-T184 WeakPolarHBondContact O-CB 3.17Å; T180-T184 PolarHBondContact O-N 3.25Å; T180-T184 PolarHBondContact O-OG1 3.08Å; L181-T184 WeakPolarHBondContact O-CB 3.49Å; L181-T184 PolarHBondContact O-N 3.38Å; Y182-T184 VanDerWaalsContact C-N 3.27Å; Y182-T184 PolarHBondContact O-N 2.79Å; T184-V186 VanDerWaalsContact C-N 3.35Å; T184-V186 PolarHBondContact O-N 3.19Å; T184-L188 WeakPolarHBondContact O-CB 3.49Å; T184-L188 PolarHBondContact O-N 3.24Å
185E88.7Confident88Confident89 Ų8956.3 Ų56.342%0.41627%0.27SS..Hα-helixtrans-63.6-40.3178.7-61.6-61.383.800111.6K172 L181 Y182 S189K172-E185 WeakPolarHBondContact CE-OE1 3.08Å; K172-E185 IonicContact NZ-OE1 3.78Å; K172-E185 PolarHBondContact NZ-OE1 3.07Å; K172-E185 IonicContact NZ-OE2 3.5Å; K172-E185 PolarHBondContact NZ-OE2 3.34Å; L181-E185 WeakPolarHBondContact O-CG 3.01Å; L181-E185 PolarHBondContact O-N 3.43Å; L181-E185 VanDerWaalsContact O-N 3.11Å; Y182-E185 PolarHBondContact O-N 3.08Å; E185-S189 WeakPolarHBondContact O-CB 3.36Å; E185-S189 PolarHBondContact O-N 3.38Å
186V91Very high87.1Confident28 Ų2862.3 Ų62.317%0.1730%0.299CS..Hα-helixtrans-64-51178.4176.40000111.3Y149 L151 Y182 N183 T184 S189 H190Y149-V186 HydrophobicContact CD1-CG1 4.13Å; Y149-V186 HydrophobicContact CD2-CG1 3.71Å; Y149-V186 HydrophobicContact CE2-CG1 4.16Å; Y149-V186 HydrophobicContact CG-CG1 3.7Å; L151-V186 HydrophobicContact CD1-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CB 4.44Å; L151-V186 HydrophobicContact CD2-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CG2 4.42Å; Y182-V186 HydrophobicContact CE1-CG2 4.35Å; Y182-V186 HydrophobicContact CE2-CG2 4.36Å; Y182-V186 WeakPolarHBondContact O-CG2 3.47Å; Y182-V186 PolarHBondContact O-N 2.99Å; N183-V186 PolarHBondContact O-N 2.86Å; T184-V186 VanDerWaalsContact C-N 3.35Å; T184-V186 PolarHBondContact O-N 3.19Å; V186-S189 PolarHBondContact O-N 3.39Å; V186-H190 WeakPolarHBondContact O-CB 3.37Å; V186-H190 PolarHBondContact O-N 3.35Å
187L90.9Very high85.9Confident1 Ų161 Ų611%0.00530%0.296CS..Hα-helixtrans-64.8-44.1-178.3-68.9172.9000111.7W141 L142 A145 L151 I154 F175 T179 N183 H190 L191W141-L187 HydrophobicContact CH2-CB 4.01Å; W141-L187 HydrophobicContact CH2-CD2 3.75Å; W141-L187 HydrophobicContact CH2-CG 4.41Å; W141-L187 HydrophobicContact CZ2-CB 4.39Å; W141-L187 HydrophobicContact CZ2-CD2 3.88Å; W141-L187 HydrophobicContact CZ3-CD2 4.34Å; L142-L187 HydrophobicContact CD1-CD1 4.04Å; L142-L187 HydrophobicContact CD1-CD2 4.02Å; A145-L187 HydrophobicContact CB-CD2 3.71Å; L151-L187 HydrophobicContact CD1-CD2 4.11Å; L151-L187 HydrophobicContact CD1-CG 4.22Å; I154-L187 HydrophobicContact CD1-CD1 4.3Å; F175-L187 HydrophobicContact CD1-CB 4.34Å; F175-L187 HydrophobicContact CD1-CD1 4.29Å; F175-L187 HydrophobicContact CE1-CB 4.11Å; F175-L187 HydrophobicContact CE1-CD1 4.35Å; T179-L187 HydrophobicContact CG2-CD1 4.28Å; N183-L187 WeakPolarHBondContact O-CB 3.18Å; N183-L187 VanDerWaalsContact O-CG 3.28Å; N183-L187 WeakPolarHBondContact O-CG 3.38Å; N183-L187 PolarHBondContact O-N 3.02Å; L187-H190 PolarHBondContact O-N 3.04Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 2.99Å
188L89.7Confident84.7Confident51 Ų5154.3 Ų54.327%0.26727%0.271SS..Hα-helixtrans-70.2-37.2-179.6-170.863.1000112.1K172 F175 T184 L191 S192K172-L188 HydrophobicContact CB-CD2 4.34Å; F175-L188 HydrophobicContact CD2-CD1 4.41Å; F175-L188 HydrophobicContact CE2-CD1 4.13Å; T184-L188 WeakPolarHBondContact O-CB 3.49Å; T184-L188 PolarHBondContact O-N 3.24Å; L188-L191 PolarHBondContact O-N 2.98Å; L188-S192 PolarHBondContact O-N 3.47Å; L188-S192 PolarHBondContact O-OG 3.46Å
189S88.2Confident83.3Confident73 Ų7359.3 Ų59.351%0.5130%0.296SS..Hα-helixtrans-65.2-40.8173.8-176.70000112.1E185 V186 S192 Y193E185-S189 WeakPolarHBondContact O-CB 3.36Å; E185-S189 PolarHBondContact O-N 3.38Å; V186-S189 PolarHBondContact O-N 3.39Å; S189-S192 PolarHBondContact O-N 3.25Å; S189-S192 PolarHBondContact O-OG 3.36Å; S189-Y193 WeakPolarHBondContact O-CB 3.4Å; S189-Y193 PolarHBondContact O-N 3.2Å
190H88.7Confident81.7Confident30 Ų3063.3 Ų63.314%0.13932%0.317CS..Hα-helixtrans-65.5-39.6173.5-167.6-80.8000111.9W141 W144 Y149 V186 L187 Y193 L194W141-H190 AromaticContact NE1-CE1 3.72Å; W141-H190 AromaticContact NE1-CG 4Å; W141-H190 AromaticContact NE1-ND1 3.2Å; W141-H190 PolarHBondContact NE1-ND1 3.03Å; W141-H190 VanDerWaalsContact NE1-ND1 3.2Å; W144-H190 AromaticContact CH2-CD2 3.83Å; W144-H190 AromaticContact CH2-NE2 3.34Å; W144-H190 VanDerWaalsContact CH2-NE2 3.34Å; W144-H190 WeakPolarHBondContact CH2-NE2 3.35Å; W144-H190 AromaticContact CZ3-CD2 3.88Å; W144-H190 AromaticContact CZ3-CE1 3.65Å; W144-H190 AromaticContact CZ3-NE2 3.43Å; W144-H190 WeakPolarHBondContact CZ3-NE2 3.32Å; Y149-H190 PolarHBondContact OH-CD2 3.37Å; V186-H190 WeakPolarHBondContact O-CB 3.37Å; V186-H190 PolarHBondContact O-N 3.35Å; L187-H190 PolarHBondContact O-N 3.04Å; H190-Y193 PolarHBondContact O-N 3.44Å; H190-L194 WeakPolarHBondContact O-CG 3.44Å; H190-L194 PolarHBondContact O-N 2.94Å; H190-L194 VanDerWaalsContact O-N 3.11Å
191L88.6Confident80Confident5 Ų563.9 Ų63.93%0.02633%0.327CS..Hα-helixtrans-67-37.5178.4-168.467.4000112.3P130 W133 L167 F175 L187 L188 R195P130-L191 HydrophobicContact CB-CD1 3.57Å; P130-L191 HydrophobicContact CG-CD1 3.88Å; W133-L191 HydrophobicContact CZ3-CD1 4.33Å; L167-L191 HydrophobicContact CD2-CD1 3.91Å; L167-L191 HydrophobicContact CD2-CD2 4.47Å; L167-L191 HydrophobicContact CG-CD1 4.39Å; L167-L191 HydrophobicContact CG-CD2 4.1Å; F175-L191 HydrophobicContact CZ-CD2 4.4Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 2.99Å; L188-L191 PolarHBondContact O-N 2.98Å; L191-R195 WeakPolarHBondContact O-CG 3.4Å; L191-R195 PolarHBondContact O-N 2.95Å
192S85.4Confident78.1Confident64 Ų6465.1 Ų65.145%0.44833%0.326SS..Hα-helixtrans-70.3-41.417460.60000112.1L188 S189 L194 R195 E196L188-S192 PolarHBondContact O-N 3.47Å; L188-S192 PolarHBondContact O-OG 3.46Å; S189-S192 PolarHBondContact O-N 3.25Å; S189-S192 PolarHBondContact O-OG 3.36Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.46Å; S192-R195 PolarHBondContact O-N 3.14Å; S192-R195 VanDerWaalsContact O-N 3.14Å; S192-E196 PolarHBondContact O-N 2.95Å
193Y84.4Confident75.8Confident144 Ų14464.8 Ų64.857%0.56534%0.335SS*.Hα-helixtrans-56.6-43.6175.2170.6-105.5000112.9S189 H190 E196 S197S189-Y193 WeakPolarHBondContact O-CB 3.4Å; S189-Y193 PolarHBondContact O-N 3.2Å; H190-Y193 PolarHBondContact O-N 3.44Å; Y193-E196 PolarHBondContact O-N 3.5Å; Y193-S197 VanDerWaalsContact O-CB 3.3Å; Y193-S197 WeakPolarHBondContact O-CB 3.35Å; Y193-S197 PolarHBondContact O-N 3.31Å; Y193-S197 PolarHBondContact O-OG 2.78Å
194L84.3Confident73.5Confident29 Ų2970 Ų7015%0.15237%0.367CS..Hα-helixtrans-63.9-40.2175.8-71.2172.1000112.5P130 W133 H190 S192 S198P130-L194 HydrophobicContact CG-CB 3.6Å; P130-L194 HydrophobicContact CG-CD1 3.99Å; P130-L194 HydrophobicContact CG-CG 4.48Å; W133-L194 HydrophobicContact CH2-CD1 3.58Å; W133-L194 HydrophobicContact CZ2-CD1 3.51Å; H190-L194 WeakPolarHBondContact O-CG 3.44Å; H190-L194 PolarHBondContact O-N 2.94Å; H190-L194 VanDerWaalsContact O-N 3.11Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.46Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 2.68Å; L194-S198 PolarHBondContact O-OG 3.11Å
195R79.4Confident70.7Confident122 Ų12275.6 Ų75.646%0.4640%0.401SS..Hα-helixtrans-68.2-42177.7-72.1175.361.5-170.8-2.9112.2P130 L191 S192 S198 L199P130-R195 HydrophobicContact CG-CG 4.09Å; L191-R195 WeakPolarHBondContact O-CG 3.4Å; L191-R195 PolarHBondContact O-N 2.95Å; S192-R195 PolarHBondContact O-N 3.14Å; S192-R195 VanDerWaalsContact O-N 3.14Å; R195-S198 PolarHBondContact O-N 3.39Å; R195-L199 WeakPolarHBondContact O-CG 3.12Å; R195-L199 PolarHBondContact O-N 3.02Å
196E71.1Confident68.1Low126 Ų12676.3 Ų76.359%0.58942%0.416SS*.Hα-helixtrans-66-40.8175.3-170.8174.2-169.600111.5S192 Y193 S198 L199S192-E196 PolarHBondContact O-N 2.95Å; Y193-E196 PolarHBondContact O-N 3.5Å; E196-S198 VanDerWaalsContact C-N 3.31Å; E196-S198 PolarHBondContact O-N 3.11Å; E196-L199 PolarHBondContact O-N 2.93Å
197S65.8Low65.8Low48 Ų4883.8 Ų83.834%0.33645%0.449SS..Hα-helixtrans-61.5-38.8173.4-59.70000112.2Y193 L200Y193-S197 VanDerWaalsContact O-CB 3.3Å; Y193-S197 WeakPolarHBondContact O-CB 3.35Å; Y193-S197 PolarHBondContact O-N 3.31Å; Y193-S197 PolarHBondContact O-OG 2.78Å; S197-L200 PolarHBondContact O-N 2.94Å
198S61Low63.5Low6 Ų689.9 Ų89.94%0.04249%0.486CS..Hα-helixtrans-70.2-36.6178.1-58.70000112.7A128 D129 L194 R195 E196 L200 A201 Y202A128-S198 VanDerWaalsContact C-OG 3.3Å; A128-S198 PolarHBondContact O-OG 3.09Å; D129-S198 WeakPolarHBondContact CA-OG 3.23Å; D129-S198 PolarHBondContact N-OG 2.74Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 2.68Å; L194-S198 PolarHBondContact O-OG 3.11Å; R195-S198 PolarHBondContact O-N 3.39Å; E196-S198 VanDerWaalsContact C-N 3.31Å; E196-S198 PolarHBondContact O-N 3.11Å; S198-L200 PolarHBondContact O-N 3.34Å; S198-L200 VanDerWaalsContact O-N 3.17Å; S198-A201 WeakPolarHBondContact O-CB 3.23Å; S198-A201 PolarHBondContact O-N 2.99Å; S198-Y202 WeakPolarHBondContact CB-OH 3.28Å; S198-Y202 WeakPolarHBondContact O-CE1 3.35Å; S198-Y202 WeakPolarHBondContact O-CE2 3.07Å
199L57.3Low60.6Low110 Ų11094.8 Ų94.858%0.57651%0.513SS*.Hα-helixtrans-58.9-26.5175.4-77.8164.9000113.4R195 E196 Y202R195-L199 WeakPolarHBondContact O-CG 3.12Å; R195-L199 PolarHBondContact O-N 3.02Å; E196-L199 PolarHBondContact O-N 2.93Å; L199-Y202 HydrophobicContact CD2-CD2 4.15Å; L199-Y202 HydrophobicContact CD2-CE2 4.01Å; L199-Y202 HydrophobicContact CG-CE2 4.41Å
200L55.8Low58Low97 Ų9799.9 Ų99.951%0.50853%0.528SS..Hα-helixtrans-76.8-26.4175.4-60.6174.7000112.9S197 S198S197-L200 PolarHBondContact O-N 2.94Å; S198-L200 PolarHBondContact O-N 3.34Å; S198-L200 VanDerWaalsContact O-N 3.17Å
201A54.5Low55.3Low65 Ų65103.5 Ų103.554%0.53756%0.557SS.*Hα-helixtrans-68.6-35.2179.200000112.2S198 N203 T204S198-A201 WeakPolarHBondContact O-CB 3.23Å; S198-A201 PolarHBondContact O-N 2.99Å; A201-N203 VanDerWaalsContact C-N 3.26Å; A201-N203 PolarHBondContact O-N 3.44Å; A201-T204 PolarHBondContact O-N 3.28Å
202Y46.1Very low52.6Low121 Ų121108.4 Ų108.448%0.47559%0.592SS.*THydrogen-bonded Turntrans-68.7-22.5-176.3-44.7-37.1000113.7D129 S198 L199D129-Y202 PolarHBondContact OD2-OH 2.77Å; S198-Y202 WeakPolarHBondContact CB-OH 3.28Å; S198-Y202 WeakPolarHBondContact O-CE1 3.35Å; S198-Y202 WeakPolarHBondContact O-CE2 3.07Å; L199-Y202 HydrophobicContact CD2-CD2 4.15Å; L199-Y202 HydrophobicContact CD2-CE2 4.01Å; L199-Y202 HydrophobicContact CG-CE2 4.41Å
203N40.4Very low50.1Low147 Ų147116.7 Ų116.779%0.78661%0.613SS**THydrogen-bonded Turntrans-88.2-2.8-178.1-85.3-5.5000114.4A201A201-N203 VanDerWaalsContact C-N 3.26Å; A201-N203 PolarHBondContact O-N 3.44Å
204T41.8Very low47.7Very low115 Ų115118.1 Ų118.171%0.70663%0.63SS**  trans-110.784.3175.9-62.30000110.4A201A201-T204 PolarHBondContact O-N 3.28Å
205T32.7Very low45.1Very low116 Ų116122.2 Ų122.271%0.71266%0.661SS**  trans-128.670.1171.4-49.50000110.6
206S34.1Very low42.8Very low105 Ų105122 Ų12273%0.73467%0.673SS**  trans-81.4130.5164.1-64.30000109T208S206-T208 PolarHBondContact O-N 3.13Å
207H41.7Very low41Very low185 Ų185125.6 Ų125.686%0.85669%0.687SS**SBendtrans-63.496.1-166-67.4-82.1000115.5
208T41.9Very low39.5Very low128 Ų128131.9 Ų131.979%0.78571%0.711SS**  trans-141.159.8159.555.10000111.5S206 Q210S206-T208 PolarHBondContact O-N 3.13Å; T208-Q210 PolarHBondContact O-N 2.94Å; T208-Q210 VanDerWaalsContact O-N 3.13Å
209D29.8Very low38Very low154 Ų154139 Ų13982%0.82475%0.749SS**  trans-78.892.5-179.9-162.4-22.1000111.1S211D209-S211 PolarHBondContact O-N 3.11Å
210Q32.7Very low37Very low180 Ų180139.5 Ų139.584%0.84176%0.758SS**  trans-85.2103.4174.1-75.8-159.73.800111.2T208 S212T208-Q210 PolarHBondContact O-N 2.94Å; T208-Q210 VanDerWaalsContact O-N 3.13Å; Q210-S212 PolarHBondContact O-N 3.41Å; Q210-S212 VanDerWaalsContact O-N 3.08Å
211S33Very low35.7Very low107 Ų107140.7 Ų140.775%0.74878%0.775SS**  trans-58.2110.3168.7-76.90000111.8D209 R213D209-S211 PolarHBondContact O-N 3.11Å; S211-R213 PolarHBondContact O-N 2.68Å
212S30.8Very low34.7Very low108 Ų108147.2 Ų147.276%0.75579%0.787SS**  trans-71.581.9179.360.20000112.4Q210Q210-S212 PolarHBondContact O-N 3.41Å; Q210-S212 VanDerWaalsContact O-N 3.08Å
213R34.3Very low34.1Very low237 Ų237148.4 Ų148.489%0.89480%0.802SS**  trans-101.190.1166.1-82.7-170173.3-121.81.5110.7S211S211-R213 PolarHBondContact O-N 2.68Å
214L33.9Very low33.6Very low175 Ų175147.1 Ų147.192%0.91680%0.804SS**  trans-104.4109.2162.5-67.1177.1000108.8
215S30Very low33.4Very low114 Ų114147 Ų14780%0.79780%0.803SS**PPolyproline II helixtrans-96.1116.8167.1-172.50000107.7K217S215-K217 PolarHBondContact O-N 2.69Å
216V29.7Very low33.5Very low118 Ų118152.6 Ų152.672%0.71581%0.811SS**PPolyproline II helixtrans-62.1133.9170.5178.50000108.5E218V216-E218 HydrophobicContact CG1-CG 3.92Å
217K34.6Very low33.5Very low201 Ų201159.3 Ų159.387%0.87482%0.82SS**PPolyproline II helixtrans-102.8121.1159.2-80.4-174.7172.7-175.90107.1S215S215-K217 PolarHBondContact O-N 2.69Å
218E33.3Very low32.9Very low180 Ų180154 Ų15484%0.84182%0.816SS**PPolyproline II helixtrans-93.6122.5168.9-60.8-177.4132.200108.1V216V216-E218 HydrophobicContact CG1-CG 3.92Å
219D29.9Very low32.2Very low157 Ų157151.9 Ų151.984%0.8481%0.811SS**PPolyproline II helixtrans-85.3133.6164.4-106.3-51000108.5S221D219-S221 PolarHBondContact O-N 3.06Å
220P36.2Very low32.2Very low120 Ų120156.9 Ų156.978%0.77982%0.818SS**PPolyproline II helixtrans-75.3118.9-170.928.8-34.1000111.9
221S29.1Very low32.1Very low122 Ų122151.7 Ų151.785%0.85381%0.813SS**PPolyproline II helixtrans-68.9153.5172.7-165.80000112.2D219 D223D219-S221 PolarHBondContact O-N 3.06Å; S221-D223 PolarHBondContact O-N 2.77Å; S221-D223 VanDerWaalsContact O-N 3.07Å
222Y32.4Very low32Very low201 Ų201154.3 Ų154.379%0.78882%0.819SS**SBendtrans-78.486.8-168.3-178.3-94.5000112.5V225Y222-V225 HydrophobicContact CE2-CG2 4.25Å
223D34.3Very low31.9Very low147 Ų147155.7 Ų155.779%0.78682%0.817SS**  trans-157.373.9158.6-137.5-27.2000114.7S221S221-D223 PolarHBondContact O-N 2.77Å; S221-D223 VanDerWaalsContact O-N 3.07Å
224S29.7Very low31.7Very low119 Ų119151.8 Ų151.883%0.83281%0.811SS**  trans-16241.3167.7-86.40000114.3R226S224-R226 PolarHBondContact O-N 3.27Å
225V38.1Very low31.6Very low113 Ų113150.3 Ų150.369%0.68580%0.804SS**  trans-92.170.1174.6-170.90000111.1Y222Y222-V225 HydrophobicContact CE2-CG2 4.25Å
226R33.3Very low31.5Very low233 Ų233149.9 Ų149.988%0.87980%0.801SS**SBendtrans-161.4105.1164.2-114.7166.1-159.6-116.50.7114.1S224S224-R226 PolarHBondContact O-N 3.27Å
227R35Very low31.5Very low247 Ų247147.9 Ų147.993%0.93280%0.804SS**  trans64.5138.5-175.7-39.6-175.3-148.3-110.69113.1
228G28.7Very low31.4Very low74 Ų74145.8 Ų145.876%0.76380%0.802SS**  cis121.7132.4-5.700000113.4
229A27.5Very low31.2Very low82 Ų82143.8 Ų143.868%0.67880%0.797SS**  trans81.7100.8169.200000119.5
230W30.7Very low31.3Very low260 Ų260144.8 Ų144.899%0.98579%0.794SS**  trans71.4141.4140.9-43.1-4.2000117.1
231G30.3Very low30.9Very low71 Ų71144.4 Ų144.473%0.73279%0.794SS**  cis177167.3-7.400000113.2
232N30.1Very low32Very low162 Ų162144.2 Ų144.287%0.86679%0.79SS**  trans45.2108.3158.6-69.47.8000122.6
233N29.5Very low32.5Very low136 Ų136140 Ų14073%0.72779%0.788SS**  83.1131.1107.6-158.943.4000122.8
234M29.5Very low32.2Very low156 Ų156141.4 Ų141.477%0.76879%0.794SS**  trans74.8115.7147.1-95.1-178.2176.600124.1
235N31.3Very low32.1Very low143 Ų143139.6 Ų139.677%0.76579%0.794SS**  91115.8116-153.431.9000122
236S29.3Very low31.5Very low105 Ų105137.8 Ų137.873%0.73480%0.798SS**  trans21.6128.3139.4-162.10000121.5
237G29.7Very low31.2Very low76 Ų76131.6 Ų131.678%0.78480%0.797SS**  trans-176.5109.6160.300000113.2
238L32.2Very low31.1Very low157 Ų157128.3 Ų128.382%0.82279%0.792SS**  trans-76.8143.4176.9-63.7115000112.1
239N29.4Very low30.9Very low139 Ų139131.5 Ų131.574%0.74380%0.797SS**  171.4144.7117.5-95.8-68.3000115.7
240K30.9Very low31.3Very low178 Ų178134.3 Ų134.377%0.77480%0.799SS**  trans5791145.2-62.1173.6-176.1-1790121.8
241S27.6Very low31Very low111 Ų111127.4 Ų127.478%0.77679%0.791SS**  27.8158.7115.867.70000122.6
242P52.9Low31Very low118 Ų118133.2 Ų133.277%0.76680%0.796SS**  -116.1179.3-6841.4-27.3000110.7
243P41.8Very low30.6Very low114 Ų114132.2 Ų132.274%0.7479%0.79SS**  -161.6175.792.643.1-22.6000118
244L29.5Very low30.8Very low176 Ų176131.1 Ų131.192%0.92179%0.788SS**  trans33.9123.3144.5-78153.4000122.7
245G27.3Very low30.7Very low80 Ų80129.5 Ų129.583%0.82578%0.779SS**  trans116.2144.3135.200000118.1
246G25.6Very low30.6Very low76 Ų76131.3 Ų131.378%0.78478%0.783SS**  trans88.6102.8176.100000113.2
247A25.7Very low30.7Very low102 Ų102135 Ų13584%0.84378%0.781SS**  82.899.363.700000114.1
248Q32.9Very low30.9Very low179 Ų179136.9 Ų136.984%0.83678%0.779SS**  trans23.5121.8154.7-54-175.332.200120.3
249T24.9Very low30.9Very low141 Ų141136.9 Ų136.987%0.86578%0.775SS**  -134.9147.8124.440.40000110.1
250I36.6Very low31.3Very low140 Ų140134.3 Ų134.372%0.71877%0.766SS**  trans-92.7121.1-178.9-68.6165.7000109.3K252I250-K252 HydrophobicContact CG2-CG 4.07Å
251S23.3Very low31.9Very low116 Ų116128.9 Ų128.981%0.81175%0.745SS**  trans-116.8105162.7-710000109.1N253S251-N253 PolarHBondContact O-N 3.44Å; S251-N253 VanDerWaalsContact O-N 3.11Å
252K30.1Very low32.7Very low193 Ų193124.6 Ų124.684%0.83972%0.715SS**  trans-71.1100.8175.5-65.9175.7-179.6176.30109.1I250I250-K252 HydrophobicContact CG2-CG 4.07Å
253N23.3Very low32.6Very low140 Ų140121 Ų12175%0.74969%0.686SS**  trans-93.9115.9163.3-162.3-0.3000109.1S251 E255S251-N253 PolarHBondContact O-N 3.44Å; S251-N253 VanDerWaalsContact O-N 3.11Å; N253-E255 PolarHBondContact O-N 2.84Å
254T32.3Very low33.1Very low113 Ų113121.7 Ų121.769%0.69368%0.68SS**  trans-82.572.9-179.5-54.20000109Q256T254-Q256 HydrophobicContact CG2-CG 4.47Å; T254-Q256 PolarHBondContact O-N 3.45Å
255E27.6Very low34.2Very low123 Ų123117.8 Ų117.858%0.57566%0.659SS**  trans-62.695.6174.7179.4102.9142.100109.4N253 R257N253-E255 PolarHBondContact O-N 2.84Å; E255-R257 HydrophobicContact CG-CG 3.92Å; E255-R257 PolarHBondContact O-N 3.07Å; E255-R257 IonicContact OE1-CZ 2.66Å; E255-R257 IonicContact OE1-NE 2.71Å; E255-R257 PolarHBondContact OE1-NE 3.07Å; E255-R257 VanDerWaalsContact OE1-NE 3.12Å; E255-R257 IonicContact OE1-NH2 2.88Å; E255-R257 PolarHBondContact OE1-NH2 3.18Å
256Q30.7Very low35.8Very low181 Ų181114.1 Ų114.185%0.84662%0.621SS**  trans-72.778.6173-64.5-178.612.200109.6T254T254-Q256 HydrophobicContact CG2-CG 4.47Å; T254-Q256 PolarHBondContact O-N 3.45Å
257R31.2Very low37.3Very low182 Ų182111.5 Ų111.569%0.68759%0.593SS**PPolyproline II helixtrans-79.6151.3169.3-92.4-171.1-166.6-159.50.3111.9E255 Q259E255-R257 HydrophobicContact CG-CG 3.92Å; E255-R257 PolarHBondContact O-N 3.07Å; E255-R257 IonicContact OE1-CZ 2.66Å; E255-R257 IonicContact OE1-NE 2.71Å; E255-R257 PolarHBondContact OE1-NE 3.07Å; E255-R257 VanDerWaalsContact OE1-NE 3.12Å; E255-R257 IonicContact OE1-NH2 2.88Å; E255-R257 PolarHBondContact OE1-NH2 3.18Å; R257-Q259 PolarHBondContact O-N 3.27Å
258P33.6Very low38.6Very low116 Ų116110 Ų11075%0.75358%0.575SS**PPolyproline II helixtrans-63.8135.6-168.325.1-34.5000111
259Q30.9Very low39.7Very low156 Ų156103.5 Ų103.573%0.72955%0.548SS*.PPolyproline II helixtrans-52.2134.9152.2-73-73.2-13.900107.4R257 D261R257-Q259 PolarHBondContact O-N 3.27Å; Q259-D261 PolarHBondContact O-N 3.04Å
260P38.7Very low41.2Very low85 Ų8596.9 Ų96.955%0.55251%0.507SS*.PPolyproline II helixtrans-57119.6167.226.1-32.4000106.5
261D42.7Very low42Very low64 Ų6494 Ų9434%0.34250%0.5SS..PPolyproline II helixtrans-58.1128.1-170.5-175.4-27.6000108.2Q259 Y263 Q264Q259-D261 PolarHBondContact O-N 3.04Å; D261-Y263 VanDerWaalsContact CG-CD2 3.44Å; D261-Y263 PolarHBondContact O-N 3.39Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.34Å; D261-Y263 WeakPolarHBondContact OD1-CD2 2.87Å; D261-Y263 WeakPolarHBondContact OD1-CE2 3.43Å; D261-Y263 PolarHBondContact OD1-N 2.74Å; D261-Y263 WeakPolarHBondContact OD2-CD2 3.47Å; D261-Q264 HydrophobicContact CB-CG 4.13Å; D261-Q264 WeakPolarHBondContact O-CA 3.2Å; D261-Q264 VanDerWaalsContact O-CB 3.23Å; D261-Q264 WeakPolarHBondContact O-CB 3.14Å; D261-Q264 PolarHBondContact O-N 3.21Å
262P44.7Very low43.7Very low22 Ų2297 Ų9714%0.14349%0.493CS..Hα-helixtrans-53.6-22.2177.419-32.4000113.9Q264 I265 L266 N306P262-Q264 VanDerWaalsContact C-N 3.29Å; P262-Q264 PolarHBondContact O-N 3.34Å; P262-I265 PolarHBondContact O-N 2.88Å; P262-L266 PolarHBondContact O-N 3.37Å; P262-N306 HydrophobicContact CB-CB 4.43Å; P262-N306 VanDerWaalsContact CG-N 3.33Å
263Y51.4Low45.1Very low41 Ų4189.6 Ų89.616%0.16146%0.462CS..Hα-helixtrans-68.7-25.6172.2-46.8-40.9000112.4D261 I265 L266 G267 W302 E303 G304D261-Y263 VanDerWaalsContact CG-CD2 3.44Å; D261-Y263 PolarHBondContact O-N 3.39Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.34Å; D261-Y263 WeakPolarHBondContact OD1-CD2 2.87Å; D261-Y263 WeakPolarHBondContact OD1-CE2 3.43Å; D261-Y263 PolarHBondContact OD1-N 2.74Å; D261-Y263 WeakPolarHBondContact OD2-CD2 3.47Å; Y263-I265 VanDerWaalsContact C-N 3.33Å; Y263-L266 PolarHBondContact O-N 3.5Å; Y263-G267 PolarHBondContact O-N 2.92Å; Y263-W302 HydrophobicContact CD1-CB 3.61Å; Y263-W302 AromaticContact CD1-CD2 3.27Å; Y263-W302 HydrophobicContact CD1-CD2 3.27Å; Y263-W302 AromaticContact CD1-CE3 3.41Å; Y263-W302 HydrophobicContact CD1-CE3 3.41Å; Y263-W302 VanDerWaalsContact CD1-CE3 3.41Å; Y263-W302 AromaticContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CZ3 4.26Å; Y263-W302 HydrophobicContact CD2-CB 3.72Å; Y263-W302 HydrophobicContact CD2-CG 4.04Å; Y263-W302 HydrophobicContact CE1-CB 3.58Å; Y263-W302 AromaticContact CE1-CD2 3.81Å; Y263-W302 HydrophobicContact CE1-CD2 3.81Å; Y263-W302 AromaticContact CE1-CE3 3.6Å; Y263-W302 HydrophobicContact CE1-CE3 3.6Å; Y263-W302 AromaticContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE2-CB 3.72Å; Y263-W302 HydrophobicContact CE2-CG 4.46Å; Y263-W302 HydrophobicContact CG-CB 3.7Å; Y263-W302 AromaticContact CG-CD1 3.87Å; Y263-W302 AromaticContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CE3 4.41Å; Y263-W302 AromaticContact CG-CG 3.52Å; Y263-W302 HydrophobicContact CG-CG 3.52Å; Y263-E303 PolarHBondContact OH-N 2.97Å; Y263-E303 PolarHBondContact OH-O 3.37Å; Y263-G304 PolarHBondContact OH-N 3.03Å; Y263-G304 PolarHBondContact OH-O 3.24Å
264Q51.3Low46.6Very low129 Ų12983.4 Ų83.460%0.60343%0.43SS*.Hα-helixtrans-73.8-16.1170.1-63.7174.1-1.600113.9D261 P262 P268D261-Q264 HydrophobicContact CB-CG 4.13Å; D261-Q264 WeakPolarHBondContact O-CA 3.2Å; D261-Q264 VanDerWaalsContact O-CB 3.23Å; D261-Q264 WeakPolarHBondContact O-CB 3.14Å; D261-Q264 PolarHBondContact O-N 3.21Å; P262-Q264 VanDerWaalsContact C-N 3.29Å; P262-Q264 PolarHBondContact O-N 3.34Å; Q264-P268 WeakPolarHBondContact O-CD 3.4Å; Q264-P268 WeakPolarHBondContact O-CG 3.23Å
265I53.9Low47.8Very low95 Ų9583.8 Ų83.849%0.48743%0.428SS..Hα-helixtrans-80-45.5168.6-60.1177.3000109P262 Y263 T269 F362P262-I265 PolarHBondContact O-N 2.88Å; Y263-I265 VanDerWaalsContact C-N 3.33Å; I265-T269 PolarHBondContact O-OG1 3.4Å; I265-T269 VanDerWaalsContact O-OG1 3.11Å; I265-F362 HydrophobicContact CB-CE1 4.42Å; I265-F362 HydrophobicContact CG2-CE1 3.97Å
266L59.6Low49.1Very low3 Ų383.8 Ų83.82%0.01644%0.439CS..Hα-helixtrans-75.1-25.5-178.2-67.5173.1000113.6P262 Y263 S270 L288 W302 G307 F360 F362P262-L266 PolarHBondContact O-N 3.37Å; Y263-L266 PolarHBondContact O-N 3.5Å; L266-S270 WeakPolarHBondContact O-CB 2.92Å; L266-S270 PolarHBondContact O-N 2.76Å; L266-S270 PolarHBondContact O-OG 2.92Å; L266-L288 HydrophobicContact CB-CD2 4.37Å; L266-L288 HydrophobicContact CD2-CD2 4.32Å; L266-W302 HydrophobicContact CB-CH2 3.84Å; L266-W302 HydrophobicContact CB-CZ2 3.83Å; L266-W302 HydrophobicContact CD1-CH2 3.37Å; L266-W302 HydrophobicContact CD1-CZ2 4.19Å; L266-W302 HydrophobicContact CD1-CZ3 3.71Å; L266-W302 HydrophobicContact CG-CH2 4.22Å; L266-G307 VanDerWaalsContact CD1-CA 3.47Å; L266-F360 HydrophobicContact CD1-CD2 4.47Å; L266-F362 HydrophobicContact CD1-CE1 4.05Å; L266-F362 HydrophobicContact CD1-CZ 3.81Å; L266-F362 HydrophobicContact CD2-CD1 4.08Å; L266-F362 HydrophobicContact CD2-CE1 3.53Å; L266-F362 HydrophobicContact CD2-CZ 4.14Å; L266-F362 HydrophobicContact CG-CE1 3.65Å; L266-F362 HydrophobicContact CG-CZ 3.9Å
267G57.8Low50.4Low20 Ų2078.1 Ų78.121%0.20643%0.429CS..Hα-helixtrans-57.7-64.7175.800000113.6Y263 T269 S270 S271Y263-G267 PolarHBondContact O-N 2.92Å; G267-T269 PolarHBondContact O-N 3.5Å; G267-S270 PolarHBondContact O-N 2.98Å; G267-S270 VanDerWaalsContact O-N 3.11Å; G267-S270 PolarHBondContact O-OG 3.42Å; G267-S271 PolarHBondContact O-N 3.32Å; G267-S271 PolarHBondContact O-OG 2.94Å
268P53.9Low52Low72 Ų7271.4 Ų71.447%0.46841%0.41SS..Hα-helixtrans-61.5-26.4178.5-2334.5000113.9Q264 S271 R272Q264-P268 WeakPolarHBondContact O-CD 3.4Å; Q264-P268 WeakPolarHBondContact O-CG 3.23Å; P268-S271 PolarHBondContact O-OG 3.38Å; P268-R272 WeakPolarHBondContact O-CG 3.3Å
269T55.3Low53.6Low42 Ų4268.1 Ų68.126%0.25840%0.397SS..Hα-helixtrans-72.8-47.9172.2-59.50000111.1I265 G267 S271 R272 L273 L369I265-T269 PolarHBondContact O-OG1 3.4Å; I265-T269 VanDerWaalsContact O-OG1 3.11Å; G267-T269 PolarHBondContact O-N 3.5Å; T269-S271 PolarHBondContact O-N 2.89Å; T269-R272 PolarHBondContact O-N 3.4Å; T269-L273 HydrophobicContact CG2-CD1 3.49Å; T269-L273 VanDerWaalsContact CG2-CD1 3.49Å; T269-L273 HydrophobicContact CG2-CG 4.2Å; T269-L273 WeakPolarHBondContact O-CB 3.35Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 3.29Å; T269-L273 VanDerWaalsContact O-N 3.09Å; T269-L369 HydrophobicContact CG2-CD1 4.25Å
270S57.3Low56.2Low1 Ų169 Ų691%0.00740%0.401CS..Hα-helixtrans-58.7-44.3-178.265.70000113.2L266 G267 R272 L273 A274 L288 S292L266-S270 WeakPolarHBondContact O-CB 2.92Å; L266-S270 PolarHBondContact O-N 2.76Å; L266-S270 PolarHBondContact O-OG 2.92Å; G267-S270 PolarHBondContact O-N 2.98Å; G267-S270 VanDerWaalsContact O-N 3.11Å; G267-S270 PolarHBondContact O-OG 3.42Å; S270-R272 VanDerWaalsContact C-N 3.32Å; S270-R272 PolarHBondContact O-N 3.17Å; S270-L273 PolarHBondContact O-N 3.33Å; S270-A274 PolarHBondContact O-N 3.03Å; S270-A274 VanDerWaalsContact O-N 3.08Å; S270-L288 WeakPolarHBondContact CB-O 3.38Å; S270-S292 WeakPolarHBondContact OG-CB 3.39Å
271S53.3Low58.6Low81 Ų8165.3 Ų65.357%0.56638%0.377SS*.Hα-helixtrans-70.9-23.2179.557.20000113.9G267 P268 T269G267-S271 PolarHBondContact O-N 3.32Å; G267-S271 PolarHBondContact O-OG 2.94Å; P268-S271 PolarHBondContact O-OG 3.38Å; T269-S271 PolarHBondContact O-N 2.89Å
272R57.8Low61Low179 Ų17966.3 Ų66.368%0.67538%0.379SS*.Hα-helixtrans-84.2-18.6171-71.4-178.7-176.4-114.69.6113.7P268 T269 S270P268-R272 WeakPolarHBondContact O-CG 3.3Å; T269-R272 PolarHBondContact O-N 3.4Å; S270-R272 VanDerWaalsContact C-N 3.32Å; S270-R272 PolarHBondContact O-N 3.17Å
273L60Low63.4Low37 Ų3765.4 Ų65.419%0.19437%0.373CS..Hα-helixtrans-99.9-20.8-175.8-69.2178.1000114.5T269 S270 W284 Q285 L369T269-L273 HydrophobicContact CG2-CD1 3.49Å; T269-L273 VanDerWaalsContact CG2-CD1 3.49Å; T269-L273 HydrophobicContact CG2-CG 4.2Å; T269-L273 WeakPolarHBondContact O-CB 3.35Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 3.29Å; T269-L273 VanDerWaalsContact O-N 3.09Å; S270-L273 PolarHBondContact O-N 3.33Å; L273-W284 HydrophobicContact CD1-CH2 4.09Å; L273-W284 HydrophobicContact CD1-CZ3 3.91Å; L273-Q285 PolarHBondContact O-NE2 3.08Å; L273-L369 HydrophobicContact CD1-CD1 4.05Å; L273-L369 HydrophobicContact CD1-CD2 3.38Å; L273-L369 HydrophobicContact CD1-CG 4.36Å; L273-L369 HydrophobicContact CD2-CD1 4.16Å; L273-L369 HydrophobicContact CD2-CD2 3.69Å; L273-L369 HydrophobicContact CD2-CG 4.39Å; L273-L369 HydrophobicContact CG-CD2 4.18Å
274A55.5Low65.4Low9 Ų963.6 Ų63.67%0.07437%0.366CS..  trans-88.1100172.300000110.1S270 P276 I281 E289S270-A274 PolarHBondContact O-N 3.03Å; S270-A274 VanDerWaalsContact O-N 3.08Å; A274-P276 WeakPolarHBondContact O-CD 3.42Å; A274-P276 VanDerWaalsContact O-N 3.17Å; A274-I281 HydrophobicContact CB-CD1 4.25Å; A274-E289 HydrophobicContact CB-CB 3.86Å; A274-E289 HydrophobicContact CB-CG 3.67Å; A274-E289 WeakPolarHBondContact CB-OE2 3.43Å
275N56.5Low67.4Low122 Ų12259 Ų5965%0.65235%0.345SS*.  trans-65.1107.9161.3-86.6-29.4000107.9G277 S278N275-G277 PolarHBondContact O-N 3.1Å; N275-S278 WeakPolarHBondContact O-CB 3.27Å; N275-S278 PolarHBondContact O-N 3.15Å
276P55.6Low69.3Low123 Ų12354.6 Ų54.680%0.79932%0.322SS*.THydrogen-bonded Turntrans-62.7131-166.5-23.736000111.4A274 S278A274-P276 WeakPolarHBondContact O-CD 3.42Å; A274-P276 VanDerWaalsContact O-N 3.17Å; P276-S278 VanDerWaalsContact C-N 3.25Å; P276-S278 PolarHBondContact O-N 2.9Å
277G58.6Low71.1Confident62 Ų6254.5 Ų54.564%0.63932%0.321SS*.THydrogen-bonded Turntrans74.6-0.3-178.700000116N275 G279N275-G277 PolarHBondContact O-N 3.1Å; G277-G279 PolarHBondContact O-N 2.99Å; G277-G279 VanDerWaalsContact O-N 3.08Å
278S64.1Low72.7Confident40 Ų4053.6 Ų53.628%0.2831%0.312SS..  trans-67.9110.5177.4-179.60000111.9N275 P276 Q280 I281N275-S278 WeakPolarHBondContact O-CB 3.27Å; N275-S278 PolarHBondContact O-N 3.15Å; P276-S278 VanDerWaalsContact C-N 3.25Å; P276-S278 PolarHBondContact O-N 2.9Å; S278-Q280 PolarHBondContact O-N 2.99Å; S278-Q280 PolarHBondContact OG-N 2.89Å; S278-I281 WeakPolarHBondContact O-CB 3.34Å; S278-I281 VanDerWaalsContact O-CG2 3.25Å; S278-I281 WeakPolarHBondContact O-CG2 3.13Å; S278-I281 PolarHBondContact O-N 3.49Å
279G67.9Low74.5Confident47 Ų4751.9 Ų51.949%0.48530%0.298SS..THydrogen-bonded Turntrans-60.6-8.8173.400000114.4G277 K325G277-G279 PolarHBondContact O-N 2.99Å; G277-G279 VanDerWaalsContact O-N 3.08Å; G279-K325 WeakPolarHBondContact O-CE 3.22Å; G279-K325 PolarHBondContact O-NZ 3.46Å
280Q83.8Confident76.3Confident175 Ų17550.4 Ų50.482%0.81829%0.288SS*.THydrogen-bonded Turntrans-83.4-16.8174.5-66.3-174.8-7.800113.8S278 K325S278-Q280 PolarHBondContact O-N 2.99Å; S278-Q280 PolarHBondContact OG-N 2.89Å; Q280-K325 PolarHBondContact O-NZ 2.8Å; Q280-K325 VanDerWaalsContact O-NZ 3.14Å
281I89.3Confident78Confident8 Ų850.7 Ų50.74%0.04129%0.29CS..  trans-46.4139.3-175.2-166.3170.2000114.6A274 S278 Q285 F286 E289 W321 R324 K325A274-I281 HydrophobicContact CB-CD1 4.25Å; S278-I281 WeakPolarHBondContact O-CB 3.34Å; S278-I281 VanDerWaalsContact O-CG2 3.25Å; S278-I281 WeakPolarHBondContact O-CG2 3.13Å; S278-I281 PolarHBondContact O-N 3.49Å; I281-Q285 HydrophobicContact CD1-CB 3.97Å; I281-Q285 HydrophobicContact CG1-CB 3.62Å; I281-F286 HydrophobicContact CD1-CB 4.2Å; I281-F286 HydrophobicContact CG1-CB 4.43Å; I281-E289 WeakPolarHBondContact CD1-OE2 3.3Å; I281-W321 HydrophobicContact CG2-CZ3 4.3Å; I281-W321 WeakPolarHBondContact O-CH2 3.23Å; I281-R324 HydrophobicContact CG2-CG 3.69Å; I281-K325 HydrophobicContact CG2-CD 4.44Å; I281-K325 PolarHBondContact O-NZ 3.16Å
282Q92.9Very high79.7Confident84 Ų8449.7 Ų49.739%0.39328%0.282SS..  trans-80.4156.8176.5-59.4-179.658.700111.8W284 Q285 F286Q282-W284 VanDerWaalsContact C-N 3.34Å; Q282-W284 VanDerWaalsContact CD-NE1 3.34Å; Q282-W284 PolarHBondContact O-N 2.86Å; Q282-Q285 HydrophobicContact CB-CG 4.33Å; Q282-Q285 VanDerWaalsContact CB-OE1 3.27Å; Q282-Q285 PolarHBondContact O-N 2.86Å; Q282-F286 WeakPolarHBondContact O-CB 3.15Å; Q282-F286 PolarHBondContact O-N 3.04Å
283L95.2Very high81.1Confident4 Ų444.9 Ų44.92%0.02127%0.27CS..Hα-helixtrans-61.3-40.6-177.917559.8000112.1Q285 F286 L287 W321 L335 A338 L339 Y342L283-Q285 PolarHBondContact O-N 3.05Å; L283-F286 HydrophobicContact CD1-CD1 4.16Å; L283-F286 PolarHBondContact O-N 3.42Å; L283-L287 HydrophobicContact CD1-CD1 4.34Å; L283-L287 HydrophobicContact CD1-CD2 4.23Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 4.5Å; L283-L287 HydrophobicContact CG-CG 4.5Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.66Å; L283-W321 HydrophobicContact CB-CH2 3.85Å; L283-W321 HydrophobicContact CB-CZ2 3.69Å; L283-W321 HydrophobicContact CB-CZ3 4.39Å; L283-W321 HydrophobicContact CD1-CD2 3.75Å; L283-W321 HydrophobicContact CD1-CE3 4.11Å; L283-W321 HydrophobicContact CD1-CG 3.99Å; L283-W321 HydrophobicContact CD1-CZ2 4.32Å; L283-W321 HydrophobicContact CG-CZ2 4.49Å; L283-L335 HydrophobicContact CD1-CD1 4.14Å; L283-L335 HydrophobicContact CD1-CG 4.14Å; L283-L335 HydrophobicContact CD2-CD2 4.45Å; L283-L335 HydrophobicContact CD2-CG 4.15Å; L283-A338 HydrophobicContact CD2-CB 3.55Å; L283-L339 HydrophobicContact CD2-CD2 3.53Å; L283-L339 HydrophobicContact CD2-CG 4.12Å; L283-L339 HydrophobicContact CG-CD2 3.93Å; L283-Y342 HydrophobicContact CB-CE2 4.02Å; L283-Y342 HydrophobicContact CD2-CE2 4.33Å; L283-Y342 HydrophobicContact CG-CE2 4.28Å; L283-Y342 PolarHBondContact N-OH 3.43Å
284W94.6Very high82.5Confident2 Ų248.2 Ų48.21%0.00830%0.297CS..Hα-helixtrans-64.7-37.2178.170.3-96.9000112.7L273 Q282 L288 Y342 I347 M348 F360 I365 A368 L369L273-W284 HydrophobicContact CD1-CH2 4.09Å; L273-W284 HydrophobicContact CD1-CZ3 3.91Å; Q282-W284 VanDerWaalsContact C-N 3.34Å; Q282-W284 VanDerWaalsContact CD-NE1 3.34Å; Q282-W284 PolarHBondContact O-N 2.86Å; W284-L288 HydrophobicContact CE3-CD1 3.85Å; W284-L288 HydrophobicContact CZ3-CD1 3.89Å; W284-L288 WeakPolarHBondContact O-CG 3.49Å; W284-L288 PolarHBondContact O-N 3.29Å; W284-Y342 HydrophobicContact CB-CD2 4.39Å; W284-Y342 HydrophobicContact CB-CE2 3.97Å; W284-Y342 AromaticContact CD1-CE1 3.71Å; W284-Y342 AromaticContact CD1-CZ 3.66Å; W284-I347 HydrophobicContact CB-CG2 3.69Å; W284-I347 HydrophobicContact CD2-CG2 4.37Å; W284-I347 HydrophobicContact CG-CG2 3.81Å; W284-M348 HydrophobicContact CB-CE 3.87Å; W284-F360 HydrophobicContact CB-CE1 4.31Å; W284-I365 HydrophobicContact CD2-CD1 4.04Å; W284-I365 HydrophobicContact CE3-CD1 3.35Å; W284-I365 HydrophobicContact CZ3-CD1 3.67Å; W284-I365 HydrophobicContact CZ3-CG2 4.49Å; W284-A368 HydrophobicContact CH2-CB 4.4Å; W284-A368 HydrophobicContact CZ2-CB 3.85Å; W284-L369 HydrophobicContact CH2-CD2 3.5Å; W284-L369 VanDerWaalsContact CH2-CD2 3.5Å; W284-L369 HydrophobicContact CZ2-CD2 4.49Å; W284-L369 HydrophobicContact CZ3-CD2 4.08Å
285Q92.7Very high84.2Confident34 Ų3451.3 Ų51.316%0.15932%0.322CS..Hα-helixtrans-67-43.7173.8-64.4171.9-7400111.3L273 I281 Q282 L283 L287 L288 E289L273-Q285 PolarHBondContact O-NE2 3.08Å; I281-Q285 HydrophobicContact CD1-CB 3.97Å; I281-Q285 HydrophobicContact CG1-CB 3.62Å; Q282-Q285 HydrophobicContact CB-CG 4.33Å; Q282-Q285 VanDerWaalsContact CB-OE1 3.27Å; Q282-Q285 PolarHBondContact O-N 2.86Å; L283-Q285 PolarHBondContact O-N 3.05Å; Q285-L287 PolarHBondContact O-N 2.92Å; Q285-L288 WeakPolarHBondContact O-CB 3.43Å; Q285-L288 PolarHBondContact O-N 2.97Å; Q285-E289 PolarHBondContact O-N 2.93Å
286F94.7Very high86Confident2 Ų246.3 Ų46.31%0.00930%0.295CS..Hα-helixtrans-63.7-37.2178.4168.3-97.6000112.9I281 Q282 L283 E289 L290 R320 W321 R324I281-F286 HydrophobicContact CD1-CB 4.2Å; I281-F286 HydrophobicContact CG1-CB 4.43Å; Q282-F286 WeakPolarHBondContact O-CB 3.15Å; Q282-F286 PolarHBondContact O-N 3.04Å; L283-F286 HydrophobicContact CD1-CD1 4.16Å; L283-F286 PolarHBondContact O-N 3.42Å; F286-E289 WeakPolarHBondContact O-CB 3.19Å; F286-E289 PolarHBondContact O-N 3.45Å; F286-L290 HydrophobicContact CD1-CD1 4.47Å; F286-L290 HydrophobicContact CE1-CD1 3.69Å; F286-L290 HydrophobicContact CE1-CG 4.34Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.46Å; F286-L290 HydrophobicContact CE2-CG 4.29Å; F286-L290 HydrophobicContact CZ-CD1 3.63Å; F286-L290 HydrophobicContact CZ-CD2 4.42Å; F286-L290 HydrophobicContact CZ-CG 4.06Å; F286-L290 PolarHBondContact O-N 3.29Å; F286-L290 VanDerWaalsContact O-N 3.09Å; F286-R320 HydrophobicContact CZ-CB 3.79Å; F286-W321 HydrophobicContact CB-CE3 3.93Å; F286-W321 HydrophobicContact CB-CZ3 3.75Å; F286-W321 HydrophobicContact CD1-CB 4.27Å; F286-W321 HydrophobicContact CD1-CD2 4.24Å; F286-W321 AromaticContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CZ3 4.24Å; F286-W321 HydrophobicContact CD2-CE3 4.19Å; F286-W321 HydrophobicContact CE1-CB 3.68Å; F286-W321 HydrophobicContact CE1-CE3 4.05Å; F286-W321 HydrophobicContact CE1-CG 4.42Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.16Å; F286-R324 HydrophobicContact CD2-CB 4.23Å; F286-R324 HydrophobicContact CD2-CG 3.91Å; F286-R324 HydrophobicContact CE2-CB 3.97Å; F286-R324 HydrophobicContact CE2-CG 4.13Å
287L95.8Very high87.9Confident0 Ų042.3 Ų42.30%027%0.273CS..Hα-helixtrans-68.7-39174-66.1-174.1000111.8L283 Q285 E289 L291 I300 F309 M311 V317 L339 M348 F360L283-L287 HydrophobicContact CD1-CD1 4.34Å; L283-L287 HydrophobicContact CD1-CD2 4.23Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 4.5Å; L283-L287 HydrophobicContact CG-CG 4.5Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.66Å; Q285-L287 PolarHBondContact O-N 2.92Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.38Å; L287-L291 WeakPolarHBondContact O-CD1 3.29Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3Å; L287-I300 HydrophobicContact CB-CD1 4.38Å; L287-I300 HydrophobicContact CD2-CD1 3.78Å; L287-F309 HydrophobicContact CD1-CE2 4.14Å; L287-F309 HydrophobicContact CD1-CZ 3.93Å; L287-M311 HydrophobicContact CD1-CE 3.62Å; L287-M311 HydrophobicContact CD2-CE 3.85Å; L287-M311 HydrophobicContact CG-CE 4.42Å; L287-V317 HydrophobicContact CD2-CG1 3.69Å; L287-L339 HydrophobicContact CD1-CD2 3.66Å; L287-M348 HydrophobicContact CD1-CE 4.49Å; L287-F360 HydrophobicContact CB-CZ 4.24Å
288L92.7Very high89.7Confident1 Ų143.5 Ų43.51%0.00527%0.272CS..Hα-helixtrans-61.7-40.4171-75.4176.4000112.1L266 S270 W284 Q285 L291 S292 W302 F360 I365L266-L288 HydrophobicContact CB-CD2 4.37Å; L266-L288 HydrophobicContact CD2-CD2 4.32Å; S270-L288 WeakPolarHBondContact CB-O 3.38Å; W284-L288 HydrophobicContact CE3-CD1 3.85Å; W284-L288 HydrophobicContact CZ3-CD1 3.89Å; W284-L288 WeakPolarHBondContact O-CG 3.49Å; W284-L288 PolarHBondContact O-N 3.29Å; Q285-L288 WeakPolarHBondContact O-CB 3.43Å; Q285-L288 PolarHBondContact O-N 2.97Å; L288-L291 CarbonylContact O-C 3.55Å; L288-L291 PolarHBondContact O-N 3.44Å; L288-S292 PolarHBondContact O-N 2.9Å; L288-W302 HydrophobicContact CD2-CH2 3.83Å; L288-W302 HydrophobicContact CD2-CZ2 4.32Å; L288-F360 HydrophobicContact CD1-CE1 4.4Å; L288-F360 HydrophobicContact CD2-CD2 3.93Å; L288-F360 HydrophobicContact CD2-CE1 4.13Å; L288-F360 HydrophobicContact CD2-CE2 3.5Å; L288-F360 HydrophobicContact CD2-CG 4.42Å; L288-F360 HydrophobicContact CD2-CZ 3.62Å; L288-F360 HydrophobicContact CG-CE1 3.92Å; L288-F360 HydrophobicContact CG-CE2 4.05Å; L288-F360 HydrophobicContact CG-CZ 3.6Å; L288-I365 HydrophobicContact CD1-CD1 4.43Å
289E90.8Very high91.3Very high36 Ų3641.7 Ų41.717%0.16826%0.259CS..Hα-helixtrans-59.3-50.9176.8-172.7-166.9122.600111.8A274 I281 Q285 F286 L287 L291 S292 R324A274-E289 HydrophobicContact CB-CB 3.86Å; A274-E289 HydrophobicContact CB-CG 3.67Å; A274-E289 WeakPolarHBondContact CB-OE2 3.43Å; I281-E289 WeakPolarHBondContact CD1-OE2 3.3Å; Q285-E289 PolarHBondContact O-N 2.93Å; F286-E289 WeakPolarHBondContact O-CB 3.19Å; F286-E289 PolarHBondContact O-N 3.45Å; L287-E289 VanDerWaalsContact C-N 3.34Å; E289-L291 VanDerWaalsContact C-N 3.3Å; E289-L291 PolarHBondContact O-N 3.36Å; E289-S292 VanDerWaalsContact O-CB 3.24Å; E289-S292 WeakPolarHBondContact O-CB 3.34Å; E289-S292 PolarHBondContact O-N 2.82Å; E289-S292 VanDerWaalsContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 3.25Å; E289-R324 IonicContact OE1-CZ 3.63Å; E289-R324 IonicContact OE1-NH1 2.58Å; E289-R324 PolarHBondContact OE1-NH1 3.36Å; E289-R324 IonicContact OE1-NH2 3.12Å; E289-R324 PolarHBondContact OE1-NH2 3.31Å; E289-R324 IonicContact OE2-CZ 3.56Å; E289-R324 IonicContact OE2-NH1 2.69Å; E289-R324 PolarHBondContact OE2-NH1 2.95Å; E289-R324 IonicContact OE2-NH2 3.63Å
290L93.4Very high92.7Very high11 Ų1139.6 Ų39.66%0.05824%0.236CC..Hα-helixtrans-60.9-40.3175.5-67.5-178000111.7F286 S292 D293 N296 I300 V317F286-L290 HydrophobicContact CD1-CD1 4.47Å; F286-L290 HydrophobicContact CE1-CD1 3.69Å; F286-L290 HydrophobicContact CE1-CG 4.34Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.46Å; F286-L290 HydrophobicContact CE2-CG 4.29Å; F286-L290 HydrophobicContact CZ-CD1 3.63Å; F286-L290 HydrophobicContact CZ-CD2 4.42Å; F286-L290 HydrophobicContact CZ-CG 4.06Å; F286-L290 PolarHBondContact O-N 3.29Å; F286-L290 VanDerWaalsContact O-N 3.09Å; L290-S292 PolarHBondContact O-N 2.84Å; L290-D293 VanDerWaalsContact O-O 3.13Å; L290-N296 WeakPolarHBondContact O-CB 3.39Å; L290-N296 PolarHBondContact O-ND2 3.4Å; L290-I300 HydrophobicContact CB-CG2 3.59Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.44Å; L290-V317 HydrophobicContact CD1-CG1 4.5Å
291L93.5Very high93.2Very high8 Ų833 Ų334%0.04221%0.208CC..Hα-helixtrans-72.7-10.7177.8-76.8167.2000114.2L287 L288 E289 D293 I300 T301 W302 F309 F360L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.38Å; L287-L291 WeakPolarHBondContact O-CD1 3.29Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3Å; L288-L291 CarbonylContact O-C 3.55Å; L288-L291 PolarHBondContact O-N 3.44Å; E289-L291 VanDerWaalsContact C-N 3.3Å; E289-L291 PolarHBondContact O-N 3.36Å; L291-D293 VanDerWaalsContact C-N 3.29Å; L291-I300 HydrophobicContact CD1-CD1 4.15Å; L291-I300 HydrophobicContact CD1-CG1 4.44Å; L291-I300 HydrophobicContact CD2-CD1 4.42Å; L291-I300 HydrophobicContact CD2-CG1 3.88Å; L291-I300 HydrophobicContact CG-CD1 4.02Å; L291-I300 HydrophobicContact CG-CG1 4.02Å; L291-T301 VanDerWaalsContact CD2-C 3.44Å; L291-W302 HydrophobicContact CB-CD2 4.39Å; L291-W302 HydrophobicContact CB-CH2 4.2Å; L291-W302 HydrophobicContact CB-CZ2 3.55Å; L291-W302 HydrophobicContact CD1-CD2 4.43Å; L291-W302 HydrophobicContact CD1-CE3 4.26Å; L291-W302 HydrophobicContact CD1-CH2 3.81Å; L291-W302 HydrophobicContact CD1-CZ2 4.03Å; L291-W302 HydrophobicContact CD1-CZ3 3.94Å; L291-W302 HydrophobicContact CD2-CD2 3.97Å; L291-W302 HydrophobicContact CD2-CE3 4.4Å; L291-W302 HydrophobicContact CD2-CG 4.11Å; L291-W302 HydrophobicContact CG-CZ2 4.26Å; L291-W302 PolarHBondContact O-NE1 3.21Å; L291-F309 HydrophobicContact CD1-CB 3.81Å; L291-F309 HydrophobicContact CD1-CD1 4.06Å; L291-F309 HydrophobicContact CD1-CD2 3.86Å; L291-F309 HydrophobicContact CD1-CE2 4.41Å; L291-F309 HydrophobicContact CD1-CG 3.66Å; L291-F309 HydrophobicContact CD2-CB 4.08Å; L291-F360 HydrophobicContact CD1-CE2 3.96Å
292S87.7Confident93.4Very high59 Ų5934.7 Ų34.741%0.41321%0.214SC..Hα-helixtrans-72.1-26.2176.382.80000112.8S270 L288 E289 L290S270-S292 WeakPolarHBondContact OG-CB 3.39Å; L288-S292 PolarHBondContact O-N 2.9Å; E289-S292 VanDerWaalsContact O-CB 3.24Å; E289-S292 WeakPolarHBondContact O-CB 3.34Å; E289-S292 PolarHBondContact O-N 2.82Å; E289-S292 VanDerWaalsContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 3.25Å; L290-S292 PolarHBondContact O-N 2.84Å
293D87.2Confident93.2Very high78 Ų7833.1 Ų33.142%0.41721%0.207SC..SBendtrans-119.9117-174.9164.527.4000109.7L290 L291 A295 N296L290-D293 VanDerWaalsContact O-O 3.13Å; L291-D293 VanDerWaalsContact C-N 3.29Å; D293-A295 PolarHBondContact O-N 3.42Å; D293-A295 VanDerWaalsContact OD1-CB 3.28Å; D293-A295 WeakPolarHBondContact OD1-CB 3.24Å; D293-A295 PolarHBondContact OD1-N 3.11Å; D293-N296 WeakPolarHBondContact CB-ND2 3.42Å; D293-N296 WeakPolarHBondContact O-CB 3.12Å; D293-N296 PolarHBondContact O-N 3.14Å; D293-N296 VanDerWaalsContact O-N 3.1Å; D293-N296 PolarHBondContact O-ND2 2.77Å; D293-N296 VanDerWaalsContact O-ND2 3.08Å; D293-N296 PolarHBondContact OD2-ND2 3.08Å
294S89.2Confident92.5Very high108 Ų10835.3 Ų35.376%0.75523%0.23SC*.G310 helixtrans-66.8-14.4-177.557.30000113.8N296 A297S294-N296 PolarHBondContact O-N 3.21Å; S294-A297 WeakPolarHBondContact O-CB 3.25Å; S294-A297 PolarHBondContact O-N 3.41Å; S294-A297 VanDerWaalsContact O-N 3.07Å
295A92.8Very high91.9Very high73 Ų7339 Ų3960%0.60325%0.253SS*.G310 helixtrans-62.6-20.8170.900000112.6D293 A297D293-A295 PolarHBondContact O-N 3.42Å; D293-A295 VanDerWaalsContact OD1-CB 3.28Å; D293-A295 WeakPolarHBondContact OD1-CB 3.24Å; D293-A295 PolarHBondContact OD1-N 3.11Å; A295-A297 VanDerWaalsContact C-N 3.29Å; A295-A297 PolarHBondContact O-N 2.91Å
296N93.4Very high91.2Very high17 Ų1741.9 Ų41.99%0.09127%0.27CS..G310 helixtrans-81.8-1.9175.8-56.4-62.5000114L290 D293 S294 S298 C299 I300 R320L290-N296 WeakPolarHBondContact O-CB 3.39Å; L290-N296 PolarHBondContact O-ND2 3.4Å; D293-N296 WeakPolarHBondContact CB-ND2 3.42Å; D293-N296 WeakPolarHBondContact O-CB 3.12Å; D293-N296 PolarHBondContact O-N 3.14Å; D293-N296 VanDerWaalsContact O-N 3.1Å; D293-N296 PolarHBondContact O-ND2 2.77Å; D293-N296 VanDerWaalsContact O-ND2 3.08Å; D293-N296 PolarHBondContact OD2-ND2 3.08Å; S294-N296 PolarHBondContact O-N 3.21Å; N296-S298 PolarHBondContact O-N 3Å; N296-C299 PolarHBondContact O-N 2.95Å; N296-C299 PolarHBondContact O-SG 2.96Å; N296-I300 CarbonylContact C-O 3.53Å; N296-I300 HydrophobicContact CB-CG2 4.3Å; N296-I300 PolarHBondContact O-N 3.11Å; N296-I300 VanDerWaalsContact O-O 3.06Å; N296-R320 PolarHBondContact OD1-NH1 3.01Å
297A94.8Very high90.8Very high40 Ų4041.8 Ų41.833%0.33127%0.269SS..G310 helixtrans-60-13-176.800000115S294 A295 I300 T312S294-A297 WeakPolarHBondContact O-CB 3.25Å; S294-A297 PolarHBondContact O-N 3.41Å; S294-A297 VanDerWaalsContact O-N 3.07Å; A295-A297 VanDerWaalsContact C-N 3.29Å; A295-A297 PolarHBondContact O-N 2.91Å; A297-I300 WeakPolarHBondContact CA-O 3.18Å; A297-T312 PolarHBondContact O-OG1 3.36Å
298S96.9Very high90.8Very high87 Ų8742.6 Ų42.661%0.60827%0.273SS*.G310 helixtrans-66.3-35.8169.653.30000113.1N296 T312N296-S298 PolarHBondContact O-N 3Å; S298-T312 WeakPolarHBondContact O-CB 3.48Å; S298-T312 PolarHBondContact O-OG1 3.14Å
299C97.1Very high91Very high1 Ų142.5 Ų42.51%0.00727%0.273CS..THydrogen-bonded Turntrans-112-30.5179.267.80000114.7N296 M311 T312 D313 E316 V317N296-C299 PolarHBondContact O-N 2.95Å; N296-C299 PolarHBondContact O-SG 2.96Å; C299-M311 CarbonylContact O-C 3.47Å; C299-M311 WeakPolarHBondContact O-CA 3.44Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.41Å; C299-T312 PolarHBondContact N-OG1 2.93Å; C299-T312 PolarHBondContact O-N 3.19Å; C299-T312 PolarHBondContact O-OG1 3.42Å; C299-D313 HydrophobicContact CB-CB 3.86Å; C299-D313 PolarHBondContact O-N 3.28Å; C299-E316 HydrophobicContact CB-CB 3.92Å; C299-E316 HydrophobicContact CB-CG 3.68Å; C299-V317 HydrophobicContact CB-CG2 4.04Å; C299-V317 WeakPolarHBondContact O-CG2 3.39Å
300I97.3Very high91.3Very high3 Ų343.8 Ų43.82%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-148.7131.9177.1-168.7173.5000111.4L287 L290 L291 N296 A297 F309 K310 M311 V317L287-I300 HydrophobicContact CB-CD1 4.38Å; L287-I300 HydrophobicContact CD2-CD1 3.78Å; L290-I300 HydrophobicContact CB-CG2 3.59Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.44Å; L291-I300 HydrophobicContact CD1-CD1 4.15Å; L291-I300 HydrophobicContact CD1-CG1 4.44Å; L291-I300 HydrophobicContact CD2-CD1 4.42Å; L291-I300 HydrophobicContact CD2-CG1 3.88Å; L291-I300 HydrophobicContact CG-CD1 4.02Å; L291-I300 HydrophobicContact CG-CG1 4.02Å; N296-I300 CarbonylContact C-O 3.53Å; N296-I300 HydrophobicContact CB-CG2 4.3Å; N296-I300 PolarHBondContact O-N 3.11Å; N296-I300 VanDerWaalsContact O-O 3.06Å; A297-I300 WeakPolarHBondContact CA-O 3.18Å; I300-F309 HydrophobicContact CD1-CD2 3.95Å; I300-F309 HydrophobicContact CD1-CE2 3.94Å; I300-F309 HydrophobicContact CG1-CD2 4.07Å; I300-K310 WeakPolarHBondContact CA-O 3.44Å; I300-K310 WeakPolarHBondContact CG1-O 3.34Å; I300-M311 HydrophobicContact CD1-CE 4.37Å; I300-M311 HydrophobicContact CD1-CG 4.19Å; I300-M311 HydrophobicContact CG1-CG 4.2Å; I300-V317 HydrophobicContact CB-CG2 3.79Å; I300-V317 HydrophobicContact CG2-CG2 4.27Å
301T95.4Very high91.5Very high38 Ų3843.4 Ų43.423%0.23328%0.275CS..EExtended strand (participates in β ladder)trans-147.8152.9-176.8-166.20000112.6L291 F309 K310 T312L291-T301 VanDerWaalsContact CD2-C 3.44Å; T301-F309 CarbonylContact O-C 3.45Å; T301-F309 WeakPolarHBondContact O-CA 3.47Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; T301-K310 HydrophobicContact CG2-CD 4.31Å; T301-K310 HydrophobicContact CG2-CG 3.87Å; T301-K310 PolarHBondContact N-O 3.08Å; T301-K310 PolarHBondContact O-N 3.07Å; T301-T312 HydrophobicContact CG2-CG2 4.26Å
302W94.3Very high91.7Very high42 Ų4246.1 Ų46.116%0.15929%0.293CS..EExtended strand (participates in β ladder)trans-63.5143170.8-68.6118.3000111.1Y263 L266 L288 L291 F309 F360Y263-W302 HydrophobicContact CD1-CB 3.61Å; Y263-W302 AromaticContact CD1-CD2 3.27Å; Y263-W302 HydrophobicContact CD1-CD2 3.27Å; Y263-W302 AromaticContact CD1-CE3 3.41Å; Y263-W302 HydrophobicContact CD1-CE3 3.41Å; Y263-W302 VanDerWaalsContact CD1-CE3 3.41Å; Y263-W302 AromaticContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CZ3 4.26Å; Y263-W302 HydrophobicContact CD2-CB 3.72Å; Y263-W302 HydrophobicContact CD2-CG 4.04Å; Y263-W302 HydrophobicContact CE1-CB 3.58Å; Y263-W302 AromaticContact CE1-CD2 3.81Å; Y263-W302 HydrophobicContact CE1-CD2 3.81Å; Y263-W302 AromaticContact CE1-CE3 3.6Å; Y263-W302 HydrophobicContact CE1-CE3 3.6Å; Y263-W302 AromaticContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE2-CB 3.72Å; Y263-W302 HydrophobicContact CE2-CG 4.46Å; Y263-W302 HydrophobicContact CG-CB 3.7Å; Y263-W302 AromaticContact CG-CD1 3.87Å; Y263-W302 AromaticContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CE3 4.41Å; Y263-W302 AromaticContact CG-CG 3.52Å; Y263-W302 HydrophobicContact CG-CG 3.52Å; L266-W302 HydrophobicContact CB-CH2 3.84Å; L266-W302 HydrophobicContact CB-CZ2 3.83Å; L266-W302 HydrophobicContact CD1-CH2 3.37Å; L266-W302 HydrophobicContact CD1-CZ2 4.19Å; L266-W302 HydrophobicContact CD1-CZ3 3.71Å; L266-W302 HydrophobicContact CG-CH2 4.22Å; L288-W302 HydrophobicContact CD2-CH2 3.83Å; L288-W302 HydrophobicContact CD2-CZ2 4.32Å; L291-W302 HydrophobicContact CB-CD2 4.39Å; L291-W302 HydrophobicContact CB-CH2 4.2Å; L291-W302 HydrophobicContact CB-CZ2 3.55Å; L291-W302 HydrophobicContact CD1-CD2 4.43Å; L291-W302 HydrophobicContact CD1-CE3 4.26Å; L291-W302 HydrophobicContact CD1-CH2 3.81Å; L291-W302 HydrophobicContact CD1-CZ2 4.03Å; L291-W302 HydrophobicContact CD1-CZ3 3.94Å; L291-W302 HydrophobicContact CD2-CD2 3.97Å; L291-W302 HydrophobicContact CD2-CE3 4.4Å; L291-W302 HydrophobicContact CD2-CG 4.11Å; L291-W302 HydrophobicContact CG-CZ2 4.26Å; L291-W302 PolarHBondContact O-NE1 3.21Å; W302-F309 HydrophobicContact CE3-CB 3.86Å; W302-F309 HydrophobicContact CZ3-CB 4.17Å; W302-F309 HydrophobicContact CZ3-CD1 4.44Å; W302-F360 HydrophobicContact CH2-CD2 4.07Å; W302-F360 HydrophobicContact CH2-CE2 4.03Å; W302-F360 HydrophobicContact CZ3-CD2 4.01Å; W302-F360 HydrophobicContact CZ3-CE2 4.18Å
303E88.3Confident92.2Very high52 Ų5246.6 Ų46.624%0.24329%0.29CS..  trans-151.9145.8177.4-164.5-167.6104.200111.6Y263 T305 E308 K310 K354Y263-E303 PolarHBondContact OH-N 2.97Å; Y263-E303 PolarHBondContact OH-O 3.37Å; E303-T305 PolarHBondContact O-N 2.71Å; E303-E308 PolarHBondContact N-O 3.42Å; E303-E308 CarbonylContact O-C 3.4Å; E303-E308 WeakPolarHBondContact O-CB 3.37Å; E303-E308 VanDerWaalsContact O-CG 3.23Å; E303-E308 WeakPolarHBondContact O-CG 3.32Å; E303-K310 HydrophobicContact CB-CG 4.36Å; E303-K310 WeakPolarHBondContact OE2-CD 3.43Å; E303-K310 WeakPolarHBondContact OE2-CE 3.48Å; E303-K310 IonicContact OE2-NZ 3.27Å; E303-K310 PolarHBondContact OE2-NZ 3.1Å; E303-K354 WeakPolarHBondContact OE1-CD 3.48Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.72Å; E303-K354 PolarHBondContact OE1-NZ 3.22Å
304G81.1Confident92.7Very high50 Ų5043.4 Ų43.452%0.51527%0.274SS..SBendtrans81.1-113.117100000113.2Y263Y263-G304 PolarHBondContact OH-N 3.03Å; Y263-G304 PolarHBondContact OH-O 3.24Å
305T80.1Confident93.1Very high79 Ų7942.9 Ų42.949%0.48526%0.263SS..SBendtrans-146.4150.4-174.755.60000112.6E303 G307 E308 K359E303-T305 PolarHBondContact O-N 2.71Å; T305-G307 PolarHBondContact O-N 3.18Å; T305-E308 WeakPolarHBondContact O-CB 3.33Å; T305-E308 PolarHBondContact O-N 2.94Å; T305-K359 WeakPolarHBondContact O-CE 3.39Å; T305-K359 PolarHBondContact O-NZ 2.92Å; T305-K359 PolarHBondContact OG1-NZ 3.04Å
306N78.1Confident93.4Very high94 Ų9441.4 Ų41.450%0.50324%0.244SC..THydrogen-bonded Turntrans46.566.1163.8-67.649.8000114.8P262 E308 K359 F362P262-N306 HydrophobicContact CB-CB 4.43Å; P262-N306 VanDerWaalsContact CG-N 3.33Å; N306-E308 VanDerWaalsContact C-N 3.31Å; N306-E308 PolarHBondContact O-N 3.47Å; N306-K359 WeakPolarHBondContact O-CE 3.47Å; N306-F362 HydrophobicContact CB-CE2 4.4Å
307G88.1Confident93.6Very high0 Ų040.6 Ų40.60%024%0.239CC..THydrogen-bonded Turntrans76.913.5175.100000115.3L266 T305 K359 F360L266-G307 VanDerWaalsContact CD1-CA 3.47Å; T305-G307 PolarHBondContact O-N 3.18Å; G307-K359 WeakPolarHBondContact O-CA 3.38Å; G307-F360 PolarHBondContact O-N 2.87Å
308E95Very high93.8Very high17 Ų1738.8 Ų38.88%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-80.9137.8170.4-177.6175.115800111.6E303 T305 N306 V351 K354 Y358 K359E303-E308 PolarHBondContact N-O 3.42Å; E303-E308 CarbonylContact O-C 3.4Å; E303-E308 WeakPolarHBondContact O-CB 3.37Å; E303-E308 VanDerWaalsContact O-CG 3.23Å; E303-E308 WeakPolarHBondContact O-CG 3.32Å; T305-E308 WeakPolarHBondContact O-CB 3.33Å; T305-E308 PolarHBondContact O-N 2.94Å; N306-E308 VanDerWaalsContact C-N 3.31Å; N306-E308 PolarHBondContact O-N 3.47Å; E308-V351 HydrophobicContact CG-CG2 3.86Å; E308-K354 IonicContact OE1-NZ 3.7Å; E308-K354 PolarHBondContact OE1-NZ 2.97Å; E308-Y358 CarbonylContact C-O 3.58Å; E308-Y358 WeakPolarHBondContact CA-O 3.42Å; E308-K359 HydrophobicContact CB-CB 4.27Å; E308-K359 HydrophobicContact CB-CD 4.07Å; E308-K359 HydrophobicContact CB-CG 4Å; E308-K359 IonicContact OE2-NZ 2.74Å; E308-K359 PolarHBondContact OE2-NZ 3.09Å
309F96.4Very high93.9Very high0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-148.5162.8-176.471.5-87.7000111.2L287 L291 I300 T301 W302 M311 A357 Y358 F360L287-F309 HydrophobicContact CD1-CE2 4.14Å; L287-F309 HydrophobicContact CD1-CZ 3.93Å; L291-F309 HydrophobicContact CD1-CB 3.81Å; L291-F309 HydrophobicContact CD1-CD1 4.06Å; L291-F309 HydrophobicContact CD1-CD2 3.86Å; L291-F309 HydrophobicContact CD1-CE2 4.41Å; L291-F309 HydrophobicContact CD1-CG 3.66Å; L291-F309 HydrophobicContact CD2-CB 4.08Å; I300-F309 HydrophobicContact CD1-CD2 3.95Å; I300-F309 HydrophobicContact CD1-CE2 3.94Å; I300-F309 HydrophobicContact CG1-CD2 4.07Å; T301-F309 CarbonylContact O-C 3.45Å; T301-F309 WeakPolarHBondContact O-CA 3.47Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; W302-F309 HydrophobicContact CE3-CB 3.86Å; W302-F309 HydrophobicContact CZ3-CB 4.17Å; W302-F309 HydrophobicContact CZ3-CD1 4.44Å; F309-M311 HydrophobicContact CE2-CE 4.02Å; F309-A357 CarbonylContact O-C 3.6Å; F309-A357 VanDerWaalsContact O-CA 3.27Å; F309-A357 WeakPolarHBondContact O-CA 3.45Å; F309-Y358 WeakPolarHBondContact CD1-O 3.25Å; F309-Y358 HydrophobicContact CE2-CD2 4.39Å; F309-Y358 VanDerWaalsContact CZ-CB 3.5Å; F309-Y358 HydrophobicContact CZ-CD2 4.47Å; F309-Y358 HydrophobicContact CZ-CG 4.26Å; F309-Y358 PolarHBondContact N-O 3.33Å; F309-Y358 PolarHBondContact O-N 3.07Å; F309-Y358 VanDerWaalsContact O-O 3.11Å; F309-F360 AromaticContact CD1-CD2 3.73Å; F309-F360 HydrophobicContact CD1-CD2 3.73Å; F309-F360 AromaticContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CZ 4.43Å; F309-F360 AromaticContact CE1-CD2 3.63Å; F309-F360 HydrophobicContact CE1-CD2 3.63Å; F309-F360 AromaticContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CG 4.4Å; F309-F360 AromaticContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CG-CE2 4.48Å; F309-F360 HydrophobicContact CZ-CE2 4.06Å; F309-F360 HydrophobicContact CZ-CZ 4.21Å
310K97Very high93.8Very high62 Ų6242.9 Ų42.927%0.2723%0.226SC..EExtended strand (participates in β ladder)trans-128.7153171.560.8164.3168.1-139.30112I300 T301 E303 T312 Y356 A357I300-K310 WeakPolarHBondContact CA-O 3.44Å; I300-K310 WeakPolarHBondContact CG1-O 3.34Å; T301-K310 HydrophobicContact CG2-CD 4.31Å; T301-K310 HydrophobicContact CG2-CG 3.87Å; T301-K310 PolarHBondContact N-O 3.08Å; T301-K310 PolarHBondContact O-N 3.07Å; E303-K310 HydrophobicContact CB-CG 4.36Å; E303-K310 WeakPolarHBondContact OE2-CD 3.43Å; E303-K310 WeakPolarHBondContact OE2-CE 3.48Å; E303-K310 IonicContact OE2-NZ 3.27Å; E303-K310 PolarHBondContact OE2-NZ 3.1Å; K310-T312 HydrophobicContact CD-CG2 3.79Å; K310-T312 HydrophobicContact CG-CG2 4.33Å; K310-Y356 WeakPolarHBondContact CA-O 3.45Å; K310-A357 HydrophobicContact CB-CB 4.35Å
311M97.9Very high93.8Very high3 Ų343.7 Ų43.72%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-93.1111161.4-54.3173.3-176.400107.9L287 C299 I300 F309 P314 V317 Y332 L335 L339 Y356L287-M311 HydrophobicContact CD1-CE 3.62Å; L287-M311 HydrophobicContact CD2-CE 3.85Å; L287-M311 HydrophobicContact CG-CE 4.42Å; C299-M311 CarbonylContact O-C 3.47Å; C299-M311 WeakPolarHBondContact O-CA 3.44Å; I300-M311 HydrophobicContact CD1-CE 4.37Å; I300-M311 HydrophobicContact CD1-CG 4.19Å; I300-M311 HydrophobicContact CG1-CG 4.2Å; F309-M311 HydrophobicContact CE2-CE 4.02Å; M311-P314 HydrophobicContact CB-CB 4.12Å; M311-V317 HydrophobicContact CB-CG2 4.35Å; M311-V317 HydrophobicContact CE-CG1 4.02Å; M311-V317 HydrophobicContact CG-CG1 4.42Å; M311-V317 HydrophobicContact CG-CG2 4.22Å; M311-V317 HydrophobicContact SD-CB 4.25Å; M311-V317 HydrophobicContact SD-CG1 3.88Å; M311-Y332 HydrophobicContact SD-CE2 4.21Å; M311-L335 HydrophobicContact CE-CD2 3.94Å; M311-L335 HydrophobicContact SD-CD2 4.25Å; M311-L339 HydrophobicContact CE-CD1 3.93Å; M311-Y356 PolarHBondContact N-O 2.72Å; M311-Y356 VanDerWaalsContact O-CB 3.32Å; M311-Y356 WeakPolarHBondContact O-CB 3.4Å
312T97.8Very high93.9Very high66 Ų6642.1 Ų42.141%0.40522%0.22SC..SBendtrans-74.3-36.9173.8400000111.2A297 S298 C299 T301 K310A297-T312 PolarHBondContact O-OG1 3.36Å; S298-T312 WeakPolarHBondContact O-CB 3.48Å; S298-T312 PolarHBondContact O-OG1 3.14Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.41Å; C299-T312 PolarHBondContact N-OG1 2.93Å; C299-T312 PolarHBondContact O-N 3.19Å; C299-T312 PolarHBondContact O-OG1 3.42Å; T301-T312 HydrophobicContact CG2-CG2 4.26Å; K310-T312 HydrophobicContact CD-CG2 3.79Å; K310-T312 HydrophobicContact CG-CG2 4.33Å
313D98.1Very high93.9Very high68 Ų6846 Ų4636%0.36424%0.24SC..SBendtrans-12192.4166.6-171.9-24.4000108.9C299 D315 E316 V317C299-D313 HydrophobicContact CB-CB 3.86Å; C299-D313 PolarHBondContact O-N 3.28Å; D313-D315 PolarHBondContact O-N 2.67Å; D313-D315 PolarHBondContact OD1-N 3.18Å; D313-E316 HydrophobicContact CB-CB 4.06Å; D313-E316 PolarHBondContact OD1-N 3.42Å; D313-V317 WeakPolarHBondContact O-CG2 3.47Å; D313-V317 PolarHBondContact O-N 3.08Å
314P97.9Very high94.2Very high12 Ų1246.4 Ų46.48%0.07824%0.239CC..Hα-helixtrans-67.6-19.7-179.428.1-35.1000113.7M311 A318 Y332 Y356M311-P314 HydrophobicContact CB-CB 4.12Å; P314-A318 WeakPolarHBondContact O-CB 3.26Å; P314-A318 PolarHBondContact O-N 3.19Å; P314-A318 VanDerWaalsContact O-N 3.15Å; P314-Y332 HydrophobicContact CB-CD2 3.47Å; P314-Y332 VanDerWaalsContact CB-CD2 3.47Å; P314-Y332 HydrophobicContact CB-CE2 3.92Å; P314-Y332 HydrophobicContact CB-CG 3.88Å; P314-Y356 HydrophobicContact CB-CD1 3.87Å; P314-Y356 HydrophobicContact CB-CE1 4.15Å; P314-Y356 HydrophobicContact CB-CG 4.23Å; P314-Y356 HydrophobicContact CG-CD1 3.9Å; P314-Y356 HydrophobicContact CG-CD2 4.19Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.12Å; P314-Y356 HydrophobicContact CG-CG 4.1Å
315D98.3Very high94.7Very high97 Ų9746.4 Ų46.452%0.51923%0.225SC..Hα-helixtrans-88.9-35.4-177.9-72.4-52.4000111.4D313 A318 R319 Y332D313-D315 PolarHBondContact O-N 2.67Å; D313-D315 PolarHBondContact OD1-N 3.18Å; D315-A318 CarbonylContact O-C 3.46Å; D315-A318 PolarHBondContact O-N 3.33Å; D315-R319 WeakPolarHBondContact O-CB 3.41Å; D315-R319 PolarHBondContact O-N 3.33Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.3Å
316E98.2Very high95.3Very high42 Ų4247.9 Ų47.920%0.19624%0.239CC..Hα-helixtrans-64.3-39.8167.2172.759-172.500111.6C299 D313 A318 R319 R320C299-E316 HydrophobicContact CB-CB 3.92Å; C299-E316 HydrophobicContact CB-CG 3.68Å; D313-E316 HydrophobicContact CB-CB 4.06Å; D313-E316 PolarHBondContact OD1-N 3.42Å; E316-A318 VanDerWaalsContact C-N 3.29Å; E316-A318 PolarHBondContact O-N 2.9Å; E316-R319 PolarHBondContact O-N 3.3Å; E316-R319 IonicContact OE1-CZ 3.79Å; E316-R319 IonicContact OE1-NE 2.67Å; E316-R319 IonicContact OE1-NH2 3.21Å; E316-R319 PolarHBondContact OE1-NH2 3.09Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.42Å; E316-R319 PolarHBondContact OE2-NE 2.93Å; E316-R319 IonicContact OE2-NH2 3.98Å; E316-R319 PolarHBondContact OE2-NH2 3.31Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 3.11Å; E316-R320 WeakPolarHBondContact OE1-CG 3.5Å; E316-R320 IonicContact OE1-CZ 2.72Å; E316-R320 IonicContact OE1-NE 3.54Å; E316-R320 PolarHBondContact OE1-NE 3.19Å; E316-R320 IonicContact OE1-NH2 2.86Å; E316-R320 PolarHBondContact OE1-NH2 3.39Å
317V98.3Very high96.1Very high0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-61.1-40.6172.1175.10000110.9L287 L290 C299 I300 M311 D313 W321 L335L287-V317 HydrophobicContact CD2-CG1 3.69Å; L290-V317 HydrophobicContact CD1-CG1 4.5Å; C299-V317 HydrophobicContact CB-CG2 4.04Å; C299-V317 WeakPolarHBondContact O-CG2 3.39Å; I300-V317 HydrophobicContact CB-CG2 3.79Å; I300-V317 HydrophobicContact CG2-CG2 4.27Å; M311-V317 HydrophobicContact CB-CG2 4.35Å; M311-V317 HydrophobicContact CE-CG1 4.02Å; M311-V317 HydrophobicContact CG-CG1 4.42Å; M311-V317 HydrophobicContact CG-CG2 4.22Å; M311-V317 HydrophobicContact SD-CB 4.25Å; M311-V317 HydrophobicContact SD-CG1 3.88Å; D313-V317 WeakPolarHBondContact O-CG2 3.47Å; D313-V317 PolarHBondContact O-N 3.08Å; V317-W321 WeakPolarHBondContact O-CB 3.34Å; V317-W321 PolarHBondContact O-N 3.45Å; V317-L335 HydrophobicContact CG1-CD1 4.06Å
318A98.3Very high96.2Very high1 Ų154.5 Ų54.51%0.00828%0.275CS..Hα-helixtrans-69-36.2175.400000113.1P314 D315 E316 W321 G322 M330 N331 L335P314-A318 WeakPolarHBondContact O-CB 3.26Å; P314-A318 PolarHBondContact O-N 3.19Å; P314-A318 VanDerWaalsContact O-N 3.15Å; D315-A318 CarbonylContact O-C 3.46Å; D315-A318 PolarHBondContact O-N 3.33Å; E316-A318 VanDerWaalsContact C-N 3.29Å; E316-A318 PolarHBondContact O-N 2.9Å; A318-W321 PolarHBondContact O-N 2.85Å; A318-G322 PolarHBondContact O-N 2.91Å; A318-M330 HydrophobicContact CB-CG 4.49Å; A318-M330 WeakPolarHBondContact O-CG 3.28Å; A318-N331 VanDerWaalsContact CB-C 3.42Å; A318-L335 HydrophobicContact CB-CB 4.39Å; A318-L335 HydrophobicContact CB-CD1 4.12Å
319R98.1Very high96.2Very high109 Ų10959.9 Ų59.941%0.41131%0.305SS..Hα-helixtrans-63.1-50.9174.6-168.6-16163.468.17.4110.7D315 E316 W321 G322 E323D315-R319 WeakPolarHBondContact O-CB 3.41Å; D315-R319 PolarHBondContact O-N 3.33Å; E316-R319 PolarHBondContact O-N 3.3Å; E316-R319 IonicContact OE1-CZ 3.79Å; E316-R319 IonicContact OE1-NE 2.67Å; E316-R319 IonicContact OE1-NH2 3.21Å; E316-R319 PolarHBondContact OE1-NH2 3.09Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.42Å; E316-R319 PolarHBondContact OE2-NE 2.93Å; E316-R319 IonicContact OE2-NH2 3.98Å; E316-R319 PolarHBondContact OE2-NH2 3.31Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.41Å; R319-G322 WeakPolarHBondContact O-CA 3.14Å; R319-G322 PolarHBondContact O-N 3.01Å; R319-E323 IonicContact CZ-OE2 3.5Å; R319-E323 VanDerWaalsContact NH1-CD 3.32Å; R319-E323 IonicContact NH1-OE1 2.68Å; R319-E323 PolarHBondContact NH1-OE1 3Å; R319-E323 IonicContact NH1-OE2 3.43Å; R319-E323 PolarHBondContact NH1-OE2 3.33Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 PolarHBondContact NH2-OE2 3.23Å; R319-E323 WeakPolarHBondContact O-CB 3.47Å; R319-E323 PolarHBondContact O-N 3.08Å
320R97.1Very high96.3Very high65 Ų6561.5 Ų61.525%0.24531%0.313CS..Hα-helixtrans-61.4-36.1176.7-68.7-176.7-176.4-158.65.8112.7F286 N296 E316 R324F286-R320 HydrophobicContact CZ-CB 3.79Å; N296-R320 PolarHBondContact OD1-NH1 3.01Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 3.11Å; E316-R320 WeakPolarHBondContact OE1-CG 3.5Å; E316-R320 IonicContact OE1-CZ 2.72Å; E316-R320 IonicContact OE1-NE 3.54Å; E316-R320 PolarHBondContact OE1-NE 3.19Å; E316-R320 IonicContact OE1-NH2 2.86Å; E316-R320 PolarHBondContact OE1-NH2 3.39Å; R320-R324 VanDerWaalsContact O-CB 3.28Å; R320-R324 WeakPolarHBondContact O-CB 3.06Å; R320-R324 PolarHBondContact O-N 3.06Å
321W96.6Very high96.3Very high21 Ų2161.1 Ų61.18%0.0831%0.313CS..Hα-helixtrans-68.7-36.9172.7177.8-124.3000112.6I281 L283 F286 V317 A318 R319 K325 L335I281-W321 HydrophobicContact CG2-CZ3 4.3Å; I281-W321 WeakPolarHBondContact O-CH2 3.23Å; L283-W321 HydrophobicContact CB-CH2 3.85Å; L283-W321 HydrophobicContact CB-CZ2 3.69Å; L283-W321 HydrophobicContact CB-CZ3 4.39Å; L283-W321 HydrophobicContact CD1-CD2 3.75Å; L283-W321 HydrophobicContact CD1-CE3 4.11Å; L283-W321 HydrophobicContact CD1-CG 3.99Å; L283-W321 HydrophobicContact CD1-CZ2 4.32Å; L283-W321 HydrophobicContact CG-CZ2 4.49Å; F286-W321 HydrophobicContact CB-CE3 3.93Å; F286-W321 HydrophobicContact CB-CZ3 3.75Å; F286-W321 HydrophobicContact CD1-CB 4.27Å; F286-W321 HydrophobicContact CD1-CD2 4.24Å; F286-W321 AromaticContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CZ3 4.24Å; F286-W321 HydrophobicContact CD2-CE3 4.19Å; F286-W321 HydrophobicContact CE1-CB 3.68Å; F286-W321 HydrophobicContact CE1-CE3 4.05Å; F286-W321 HydrophobicContact CE1-CG 4.42Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.16Å; V317-W321 WeakPolarHBondContact O-CB 3.34Å; V317-W321 PolarHBondContact O-N 3.45Å; A318-W321 PolarHBondContact O-N 2.85Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.41Å; W321-K325 HydrophobicContact CD2-CG 3.93Å; W321-K325 HydrophobicContact CE3-CD 4.27Å; W321-K325 HydrophobicContact CE3-CG 3.75Å; W321-K325 HydrophobicContact CH2-CD 3.54Å; W321-K325 HydrophobicContact CH2-CG 3.57Å; W321-K325 HydrophobicContact CZ2-CD 4.14Å; W321-K325 HydrophobicContact CZ2-CG 3.72Å; W321-K325 HydrophobicContact CZ3-CD 3.62Å; W321-K325 HydrophobicContact CZ3-CG 3.58Å; W321-K325 WeakPolarHBondContact O-CG 3.31Å; W321-K325 PolarHBondContact O-N 3.15Å; W321-L335 HydrophobicContact CB-CD1 3.84Å; W321-L335 HydrophobicContact CG-CD1 4.05Å
322G96.3Very high96.3Very high4 Ų462.8 Ų62.84%0.04132%0.32CS..Hα-helixtrans-60.2-51.7171.800000111.5A318 R319 K325 S326 K327 M330A318-G322 PolarHBondContact O-N 2.91Å; R319-G322 WeakPolarHBondContact O-CA 3.14Å; R319-G322 PolarHBondContact O-N 3.01Å; G322-K325 CarbonylContact O-C 3.42Å; G322-K325 PolarHBondContact O-N 3.21Å; G322-S326 WeakPolarHBondContact O-CA 3.32Å; G322-S326 PolarHBondContact O-N 3.26Å; G322-K327 WeakPolarHBondContact CA-O 3.47Å; G322-K327 PolarHBondContact O-N 2.77Å; G322-M330 VanDerWaalsContact CA-CB 3.45Å
323E95.2Very high96.3Very high125 Ų12565 Ų6558%0.58433%0.329SS*.Hα-helixtrans-54.6-52.9174.4-179.4165.7-12600111.8R319 K325 S326R319-E323 IonicContact CZ-OE2 3.5Å; R319-E323 VanDerWaalsContact NH1-CD 3.32Å; R319-E323 IonicContact NH1-OE1 2.68Å; R319-E323 PolarHBondContact NH1-OE1 3Å; R319-E323 IonicContact NH1-OE2 3.43Å; R319-E323 PolarHBondContact NH1-OE2 3.33Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 PolarHBondContact NH2-OE2 3.23Å; R319-E323 WeakPolarHBondContact O-CB 3.47Å; R319-E323 PolarHBondContact O-N 3.08Å; E323-K325 PolarHBondContact O-N 2.99Å; E323-S326 PolarHBondContact O-N 2.96Å
324R93.7Very high96.3Very high60 Ų6067 Ų6723%0.22634%0.335CS..Hα-helixtrans-59.2-21.8178.9-175.957.165.1837.2114.5I281 F286 E289 R320I281-R324 HydrophobicContact CG2-CG 3.69Å; F286-R324 HydrophobicContact CD2-CB 4.23Å; F286-R324 HydrophobicContact CD2-CG 3.91Å; F286-R324 HydrophobicContact CE2-CB 3.97Å; F286-R324 HydrophobicContact CE2-CG 4.13Å; E289-R324 IonicContact OE1-CZ 3.63Å; E289-R324 IonicContact OE1-NH1 2.58Å; E289-R324 PolarHBondContact OE1-NH1 3.36Å; E289-R324 IonicContact OE1-NH2 3.12Å; E289-R324 PolarHBondContact OE1-NH2 3.31Å; E289-R324 IonicContact OE2-CZ 3.56Å; E289-R324 IonicContact OE2-NH1 2.69Å; E289-R324 PolarHBondContact OE2-NH1 2.95Å; E289-R324 IonicContact OE2-NH2 3.63Å; R320-R324 VanDerWaalsContact O-CB 3.28Å; R320-R324 WeakPolarHBondContact O-CB 3.06Å; R320-R324 PolarHBondContact O-N 3.06Å
325K92.1Very high96.4Very high50 Ų5066.5 Ų66.522%0.21733%0.331CS..THydrogen-bonded Turntrans-11912.1-177.4-54.4-63.3-75.5-172.10113.2G279 Q280 I281 W321 G322 E323 K327G279-K325 WeakPolarHBondContact O-CE 3.22Å; G279-K325 PolarHBondContact O-NZ 3.46Å; Q280-K325 PolarHBondContact O-NZ 2.8Å; Q280-K325 VanDerWaalsContact O-NZ 3.14Å; I281-K325 HydrophobicContact CG2-CD 4.44Å; I281-K325 PolarHBondContact O-NZ 3.16Å; W321-K325 HydrophobicContact CD2-CG 3.93Å; W321-K325 HydrophobicContact CE3-CD 4.27Å; W321-K325 HydrophobicContact CE3-CG 3.75Å; W321-K325 HydrophobicContact CH2-CD 3.54Å; W321-K325 HydrophobicContact CH2-CG 3.57Å; W321-K325 HydrophobicContact CZ2-CD 4.14Å; W321-K325 HydrophobicContact CZ2-CG 3.72Å; W321-K325 HydrophobicContact CZ3-CD 3.62Å; W321-K325 HydrophobicContact CZ3-CG 3.58Å; W321-K325 WeakPolarHBondContact O-CG 3.31Å; W321-K325 PolarHBondContact O-N 3.15Å; G322-K325 CarbonylContact O-C 3.42Å; G322-K325 PolarHBondContact O-N 3.21Å; E323-K325 PolarHBondContact O-N 2.99Å; K325-K327 VanDerWaalsContact C-N 3.26Å; K325-K327 HydrophobicContact CB-CD 4.19Å; K325-K327 HydrophobicContact CB-CG 4.42Å; K325-K327 PolarHBondContact O-N 3.44Å
326S93.2Very high96.3Very high110 Ų11062 Ų6277%0.76931%0.308SS*.THydrogen-bonded Turntrans49.741.7-175.3-53.80000114.1G322 E323 P328G322-S326 WeakPolarHBondContact O-CA 3.32Å; G322-S326 PolarHBondContact O-N 3.26Å; E323-S326 PolarHBondContact O-N 2.96Å; S326-P328 WeakPolarHBondContact O-CD 3.49Å
327K94.2Very high96.3Very high112 Ų11265.4 Ų65.449%0.48732%0.318SS..  trans-112.888-179.6-74.9174.4-175.3-174.60110G322 K325 N329 M330G322-K327 WeakPolarHBondContact CA-O 3.47Å; G322-K327 PolarHBondContact O-N 2.77Å; K325-K327 VanDerWaalsContact C-N 3.26Å; K325-K327 HydrophobicContact CB-CD 4.19Å; K325-K327 HydrophobicContact CB-CG 4.42Å; K325-K327 PolarHBondContact O-N 3.44Å; K327-N329 PolarHBondContact O-N 2.91Å; K327-M330 HydrophobicContact CB-CB 4.5Å; K327-M330 HydrophobicContact CB-CE 3.97Å; K327-M330 HydrophobicContact CD-CE 3.69Å; K327-M330 HydrophobicContact CG-CE 4.45Å; K327-M330 WeakPolarHBondContact O-CB 3.37Å; K327-M330 PolarHBondContact O-N 2.96Å; K327-M330 VanDerWaalsContact O-N 3.15Å
328P90.4Very high96.2Very high121 Ų12166.8 Ų66.879%0.78633%0.33SS*.THydrogen-bonded Turntrans-63.3-29.3-173.424.5-34.6000113.3S326 M330S326-P328 WeakPolarHBondContact O-CD 3.49Å; P328-M330 VanDerWaalsContact C-N 3.29Å; P328-M330 PolarHBondContact O-N 3.49Å
329N95.3Very high96.2Very high130 Ų13066.8 Ų66.870%0.69533%0.33SS*.THydrogen-bonded Turntrans-91.531.8178-64.5-36.3000112.9K327 K334K327-N329 PolarHBondContact O-N 2.91Å; N329-K334 WeakPolarHBondContact O-CD 3.49Å; N329-K334 PolarHBondContact O-NZ 2.7Å
330M98Very high96.2Very high34 Ų3467 Ų6717%0.16733%0.33CS..  trans-77.7142.5172.7-169.160.868.700110.6A318 G322 K327 P328 K334A318-M330 HydrophobicContact CB-CG 4.49Å; A318-M330 WeakPolarHBondContact O-CG 3.28Å; G322-M330 VanDerWaalsContact CA-CB 3.45Å; K327-M330 HydrophobicContact CB-CB 4.5Å; K327-M330 HydrophobicContact CB-CE 3.97Å; K327-M330 HydrophobicContact CD-CE 3.69Å; K327-M330 HydrophobicContact CG-CE 4.45Å; K327-M330 WeakPolarHBondContact O-CB 3.37Å; K327-M330 PolarHBondContact O-N 2.96Å; K327-M330 VanDerWaalsContact O-N 3.15Å; P328-M330 VanDerWaalsContact C-N 3.29Å; P328-M330 PolarHBondContact O-N 3.49Å; M330-K334 HydrophobicContact SD-CB 3.87Å
331N98.2Very high96.1Very high53 Ų5370.4 Ų70.428%0.28334%0.344SS..  trans-152.2170.9175.974.2-22.4000110.2A318 D333 K334 L335A318-N331 VanDerWaalsContact CB-C 3.42Å; N331-D333 VanDerWaalsContact C-N 3.28Å; N331-D333 PolarHBondContact ND2-OD2 2.95Å; N331-D333 VanDerWaalsContact ND2-OD2 3.08Å; N331-D333 PolarHBondContact O-N 3.47Å; N331-K334 PolarHBondContact O-N 2.85Å; N331-K334 WeakPolarHBondContact OD1-CB 3.39Å; N331-K334 WeakPolarHBondContact OD1-CD 3.32Å; N331-K334 VanDerWaalsContact OD1-CG 3.22Å; N331-K334 WeakPolarHBondContact OD1-CG 3.19Å; N331-K334 PolarHBondContact OD1-N 3.21Å; N331-K334 VanDerWaalsContact OD1-N 3.12Å; N331-L335 PolarHBondContact O-N 3.09Å
332Y98.2Very high96.1Very high39 Ų3970.8 Ų70.815%0.15335%0.346CS..Hα-helixtrans-61.2-30.7-178177.1-101.3000113.9M311 P314 D315 K334 L335 S336 Y356 Y358M311-Y332 HydrophobicContact SD-CE2 4.21Å; P314-Y332 HydrophobicContact CB-CD2 3.47Å; P314-Y332 VanDerWaalsContact CB-CD2 3.47Å; P314-Y332 HydrophobicContact CB-CE2 3.92Å; P314-Y332 HydrophobicContact CB-CG 3.88Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.3Å; Y332-K334 PolarHBondContact O-N 3.03Å; Y332-L335 PolarHBondContact O-N 3.37Å; Y332-S336 WeakPolarHBondContact O-CB 3.32Å; Y332-S336 PolarHBondContact O-N 3.2Å; Y332-S336 PolarHBondContact O-OG 3.27Å; Y332-Y356 HydrophobicContact CD1-CE1 4.13Å; Y332-Y356 AromaticContact CE1-CD1 3.88Å; Y332-Y356 HydrophobicContact CE1-CD1 3.88Å; Y332-Y356 AromaticContact CE1-CE1 3.66Å; Y332-Y356 HydrophobicContact CE1-CE1 3.66Å; Y332-Y356 AromaticContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CE1 4.46Å; Y332-Y356 AromaticContact CZ-CD1 3.53Å; Y332-Y356 AromaticContact CZ-CE1 3.84Å; Y332-Y358 PolarHBondContact OH-OH 2.71Å; Y332-Y358 VanDerWaalsContact OH-OH 3.08Å
333D97.8Very high96.1Very high111 Ų11173.8 Ų73.859%0.59436%0.357SS*.Hα-helixtrans-60.9-46.7174.7-62.5-69.7000112.2N331 S336 R337N331-D333 VanDerWaalsContact C-N 3.28Å; N331-D333 PolarHBondContact ND2-OD2 2.95Å; N331-D333 VanDerWaalsContact ND2-OD2 3.08Å; N331-D333 PolarHBondContact O-N 3.47Å; D333-S336 PolarHBondContact O-OG 3.12Å; D333-S336 VanDerWaalsContact O-OG 3.08Å; D333-R337 WeakPolarHBondContact O-CB 3.44Å; D333-R337 PolarHBondContact O-N 3.48Å
334K97.9Very high96Very high112 Ų11275 Ų7549%0.48737%0.367SS..Hα-helixtrans-69.5-40.9178.6-67.9165.8-162.2175.70111.4N329 M330 N331 Y332 R337 A338N329-K334 WeakPolarHBondContact O-CD 3.49Å; N329-K334 PolarHBondContact O-NZ 2.7Å; M330-K334 HydrophobicContact SD-CB 3.87Å; N331-K334 PolarHBondContact O-N 2.85Å; N331-K334 WeakPolarHBondContact OD1-CB 3.39Å; N331-K334 WeakPolarHBondContact OD1-CD 3.32Å; N331-K334 VanDerWaalsContact OD1-CG 3.22Å; N331-K334 WeakPolarHBondContact OD1-CG 3.19Å; N331-K334 PolarHBondContact OD1-N 3.21Å; N331-K334 VanDerWaalsContact OD1-N 3.12Å; Y332-K334 PolarHBondContact O-N 3.03Å; K334-R337 PolarHBondContact O-N 3.19Å; K334-A338 PolarHBondContact O-N 3.48Å; K334-A338 VanDerWaalsContact O-N 3.11Å
335L98.2Very high95.9Very high0 Ų078 Ų780%038%0.382CS..Hα-helixtrans-63.2-50.1175.7-171.7151.5000110.7L283 M311 V317 A318 W321 N331 Y332 R337 A338 L339L283-L335 HydrophobicContact CD1-CD1 4.14Å; L283-L335 HydrophobicContact CD1-CG 4.14Å; L283-L335 HydrophobicContact CD2-CD2 4.45Å; L283-L335 HydrophobicContact CD2-CG 4.15Å; M311-L335 HydrophobicContact CE-CD2 3.94Å; M311-L335 HydrophobicContact SD-CD2 4.25Å; V317-L335 HydrophobicContact CG1-CD1 4.06Å; A318-L335 HydrophobicContact CB-CB 4.39Å; A318-L335 HydrophobicContact CB-CD1 4.12Å; W321-L335 HydrophobicContact CB-CD1 3.84Å; W321-L335 HydrophobicContact CG-CD1 4.05Å; N331-L335 PolarHBondContact O-N 3.09Å; Y332-L335 PolarHBondContact O-N 3.37Å; L335-R337 VanDerWaalsContact C-N 3.25Å; L335-R337 PolarHBondContact O-N 3.45Å; L335-A338 WeakPolarHBondContact O-CA 3.31Å; L335-A338 VanDerWaalsContact O-CB 3.31Å; L335-A338 WeakPolarHBondContact O-CB 3.41Å; L335-A338 PolarHBondContact O-N 3.18Å; L335-L339 HydrophobicContact CD2-CD1 3.65Å; L335-L339 HydrophobicContact CD2-CD2 4.33Å; L335-L339 HydrophobicContact CD2-CG 3.9Å; L335-L339 PolarHBondContact O-N 3.01Å
336S98Very high95.9Very high4 Ų479.9 Ų79.93%0.02839%0.394CS..Hα-helixtrans-64.3-29.1177.274.90000112.3Y332 D333 A338 L339 R340Y332-S336 WeakPolarHBondContact O-CB 3.32Å; Y332-S336 PolarHBondContact O-N 3.2Å; Y332-S336 PolarHBondContact O-OG 3.27Å; D333-S336 PolarHBondContact O-OG 3.12Å; D333-S336 VanDerWaalsContact O-OG 3.08Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-L339 PolarHBondContact O-N 2.67Å; S336-R340 WeakPolarHBondContact O-CG 3.38Å; S336-R340 PolarHBondContact O-N 3.08Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-NH1 2.77Å; S336-R340 PolarHBondContact OG-NH1 3.25Å
337R97.9Very high96Very high112 Ų11274.8 Ų74.842%0.42336%0.358SS..Hα-helixtrans-66.7-34.1172.1-176.262.9-166.794.7-14.5111.6D333 K334 L335 Y341D333-R337 WeakPolarHBondContact O-CB 3.44Å; D333-R337 PolarHBondContact O-N 3.48Å; K334-R337 PolarHBondContact O-N 3.19Å; L335-R337 VanDerWaalsContact C-N 3.25Å; L335-R337 PolarHBondContact O-N 3.45Å; R337-Y341 HydrophobicContact CG-CE2 4.47Å; R337-Y341 VanDerWaalsContact NH1-CE1 3.31Å; R337-Y341 VanDerWaalsContact NH1-CE2 3.26Å; R337-Y341 PolarHBondContact NH2-OH 2.99Å; R337-Y341 VanDerWaalsContact O-CD2 3.32Å; R337-Y341 WeakPolarHBondContact O-CD2 3.44Å
338A96.3Very high96Very high30 Ų3069.4 Ų69.425%0.24834%0.335CS..Hα-helixtrans-68.5-44.8171.300000112.1L283 K334 L335 S336 R340 Y341L283-A338 HydrophobicContact CD2-CB 3.55Å; K334-A338 PolarHBondContact O-N 3.48Å; K334-A338 VanDerWaalsContact O-N 3.11Å; L335-A338 WeakPolarHBondContact O-CA 3.31Å; L335-A338 VanDerWaalsContact O-CB 3.31Å; L335-A338 WeakPolarHBondContact O-CB 3.41Å; L335-A338 PolarHBondContact O-N 3.18Å; S336-A338 VanDerWaalsContact C-N 3.3Å; A338-R340 VanDerWaalsContact C-N 3.27Å; A338-R340 PolarHBondContact O-N 2.87Å; A338-Y341 WeakPolarHBondContact O-CB 3.48Å; A338-Y341 PolarHBondContact O-N 3.22Å
339L97.7Very high96.3Very high0 Ų066.9 Ų66.90%032%0.318CS..Hα-helixtrans-57.5-37.3177.1-59.8179.3000113L283 L287 M311 L335 S336 Y341 Y342 Y343 M348 Y358L283-L339 HydrophobicContact CD2-CD2 3.53Å; L283-L339 HydrophobicContact CD2-CG 4.12Å; L283-L339 HydrophobicContact CG-CD2 3.93Å; L287-L339 HydrophobicContact CD1-CD2 3.66Å; M311-L339 HydrophobicContact CE-CD1 3.93Å; L335-L339 HydrophobicContact CD2-CD1 3.65Å; L335-L339 HydrophobicContact CD2-CD2 4.33Å; L335-L339 HydrophobicContact CD2-CG 3.9Å; L335-L339 PolarHBondContact O-N 3.01Å; S336-L339 PolarHBondContact O-N 2.67Å; L339-Y341 PolarHBondContact O-N 3.15Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.49Å; L339-Y342 PolarHBondContact O-N 3.11Å; L339-Y343 WeakPolarHBondContact O-CD1 3.24Å; L339-Y343 WeakPolarHBondContact O-CE1 3.28Å; L339-M348 HydrophobicContact CB-SD 4.33Å; L339-M348 HydrophobicContact CD2-CE 4.17Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.48Å; L339-Y358 HydrophobicContact CB-CE1 4.13Å; L339-Y358 HydrophobicContact CD1-CD1 4.28Å; L339-Y358 HydrophobicContact CD1-CD2 4.14Å; L339-Y358 HydrophobicContact CD1-CE1 3.79Å; L339-Y358 HydrophobicContact CD1-CE2 3.64Å; L339-Y358 HydrophobicContact CD1-CG 4.44Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å
340R97.3Very high96.4Very high113 Ų11365 Ų6543%0.42630%0.303SS..G310 helixtrans-59.2-26.7175.7-71.7173.4-173.189.2-17.9113.7S336 A338 Y342 Y343S336-R340 WeakPolarHBondContact O-CG 3.38Å; S336-R340 PolarHBondContact O-N 3.08Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-NH1 2.77Å; S336-R340 PolarHBondContact OG-NH1 3.25Å; A338-R340 VanDerWaalsContact C-N 3.27Å; A338-R340 PolarHBondContact O-N 2.87Å; R340-Y342 PolarHBondContact O-N 3.02Å; R340-Y343 HydrophobicContact CB-CE2 4.2Å; R340-Y343 HydrophobicContact CG-CE2 3.91Å
341Y96.6Very high96.3Very high137 Ų13764.5 Ų64.554%0.53730%0.302SS..G310 helixtrans-77.2-5176.1-65.2-66.4000113.6R337 A338 L339R337-Y341 HydrophobicContact CG-CE2 4.47Å; R337-Y341 VanDerWaalsContact NH1-CE1 3.31Å; R337-Y341 VanDerWaalsContact NH1-CE2 3.26Å; R337-Y341 PolarHBondContact NH2-OH 2.99Å; R337-Y341 VanDerWaalsContact O-CD2 3.32Å; R337-Y341 WeakPolarHBondContact O-CD2 3.44Å; A338-Y341 WeakPolarHBondContact O-CB 3.48Å; A338-Y341 PolarHBondContact O-N 3.22Å; L339-Y341 PolarHBondContact O-N 3.15Å
342Y96.8Very high96.1Very high30 Ų3069.5 Ų69.512%0.11832%0.323CS..G310 helixtrans-93.9-9.4176.9-66.2-45.1000114.1L283 W284 L339 R340 K345 N346 I347 M348L283-Y342 HydrophobicContact CB-CE2 4.02Å; L283-Y342 HydrophobicContact CD2-CE2 4.33Å; L283-Y342 HydrophobicContact CG-CE2 4.28Å; L283-Y342 PolarHBondContact N-OH 3.43Å; W284-Y342 HydrophobicContact CB-CD2 4.39Å; W284-Y342 HydrophobicContact CB-CE2 3.97Å; W284-Y342 AromaticContact CD1-CE1 3.71Å; W284-Y342 AromaticContact CD1-CZ 3.66Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.49Å; L339-Y342 PolarHBondContact O-N 3.11Å; R340-Y342 PolarHBondContact O-N 3.02Å; Y342-K345 PolarHBondContact O-N 2.71Å; Y342-N346 PolarHBondContact O-N 3.29Å; Y342-I347 HydrophobicContact CD1-CB 4.2Å; Y342-I347 HydrophobicContact CD1-CD1 3.91Å; Y342-I347 HydrophobicContact CD1-CG2 4Å; Y342-I347 HydrophobicContact CD2-CG2 4.47Å; Y342-I347 HydrophobicContact CE1-CD1 4.3Å; Y342-I347 HydrophobicContact CG-CB 4.28Å; Y342-I347 HydrophobicContact CG-CG2 3.93Å; Y342-I347 PolarHBondContact O-N 3.42Å; Y342-I347 VanDerWaalsContact O-N 3.16Å; Y342-M348 CarbonylContact C-O 3.59Å; Y342-M348 HydrophobicContact CD2-CE 3.84Å; Y342-M348 HydrophobicContact CD2-CG 4.25Å; Y342-M348 HydrophobicContact CD2-SD 3.96Å; Y342-M348 HydrophobicContact CE2-CE 4.4Å; Y342-M348 HydrophobicContact CG-CG 4.33Å; Y342-M348 PolarHBondContact O-N 2.91Å
343Y96Very high95.9Very high67 Ų6772.1 Ų72.126%0.26336%0.362SS..THydrogen-bonded Turntrans-66.6-55.3179.9-56.1-7.6000110.2L339 R340 K345 N346 M348 K350 Y358L339-Y343 WeakPolarHBondContact O-CD1 3.24Å; L339-Y343 WeakPolarHBondContact O-CE1 3.28Å; R340-Y343 HydrophobicContact CB-CE2 4.2Å; R340-Y343 HydrophobicContact CG-CE2 3.91Å; Y343-K345 PolarHBondContact O-N 3.02Å; Y343-K345 VanDerWaalsContact O-N 3.1Å; Y343-N346 PolarHBondContact O-N 2.76Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; Y343-M348 WeakPolarHBondContact CA-O 3.39Å; Y343-M348 WeakPolarHBondContact CD1-O 3.48Å; Y343-K350 HydrophobicContact CE1-CB 4.42Å; Y343-Y358 HydrophobicContact CE1-CE1 4.41Å
344D92.4Very high95.7Very high150 Ų15070.5 Ų70.580%0.80235%0.35SS*.THydrogen-bonded Turntrans-70.2-6178.9-44.4-38.1000113.1
345K90.8Very high95.6Very high122 Ų12274.2 Ų74.253%0.5336%0.361SS..THydrogen-bonded Turntrans-102.24.3176.2-67.9-159.771-179.90113.7Y342 Y343 I347Y342-K345 PolarHBondContact O-N 2.71Å; Y343-K345 PolarHBondContact O-N 3.02Å; Y343-K345 VanDerWaalsContact O-N 3.1Å; K345-I347 HydrophobicContact CB-CD1 4.08Å; K345-I347 HydrophobicContact CB-CG1 4.34Å; K345-I347 HydrophobicContact CD-CD1 4.48Å; K345-I347 PolarHBondContact O-N 2.72Å
346N93.8Very high95.6Very high91 Ų9177.5 Ų77.549%0.48737%0.374SS..THydrogen-bonded Turntrans54.323.9-176.3-68.390.7000114.5Y342 Y343 D361 G364Y342-N346 PolarHBondContact O-N 3.29Å; Y343-N346 PolarHBondContact O-N 2.76Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; N346-D361 PolarHBondContact ND2-OD2 2.91Å; N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.22Å; N346-G364 WeakPolarHBondContact O-CA 3.1Å; N346-G364 PolarHBondContact O-N 2.82Å
347I94.1Very high95.6Very high2 Ų277.3 Ų77.31%0.0137%0.373CS..SBendtrans-88.7-39.2-179.8-78.3167.2000110.3W284 Y342 K345 F360 D361 I365 A368W284-I347 HydrophobicContact CB-CG2 3.69Å; W284-I347 HydrophobicContact CD2-CG2 4.37Å; W284-I347 HydrophobicContact CG-CG2 3.81Å; Y342-I347 HydrophobicContact CD1-CB 4.2Å; Y342-I347 HydrophobicContact CD1-CD1 3.91Å; Y342-I347 HydrophobicContact CD1-CG2 4Å; Y342-I347 HydrophobicContact CD2-CG2 4.47Å; Y342-I347 HydrophobicContact CE1-CD1 4.3Å; Y342-I347 HydrophobicContact CG-CB 4.28Å; Y342-I347 HydrophobicContact CG-CG2 3.93Å; Y342-I347 PolarHBondContact O-N 3.42Å; Y342-I347 VanDerWaalsContact O-N 3.16Å; K345-I347 HydrophobicContact CB-CD1 4.08Å; K345-I347 HydrophobicContact CB-CG1 4.34Å; K345-I347 HydrophobicContact CD-CD1 4.48Å; K345-I347 PolarHBondContact O-N 2.72Å; I347-F360 WeakPolarHBondContact O-CA 3.35Å; I347-D361 PolarHBondContact O-N 3.15Å; I347-D361 VanDerWaalsContact O-N 3.08Å; I347-I365 HydrophobicContact CG2-CD1 3.99Å; I347-A368 HydrophobicContact CD1-CB 4.1Å; I347-A368 HydrophobicContact CG1-CB 4.32Å
348M95.4Very high95.5Very high0 Ų072.2 Ų72.20%035%0.353CS..EExtended strand (participates in β ladder)trans-159.4161.7172.961.417770.100111.2W284 L287 L339 Y342 Y343 K359 F360W284-M348 HydrophobicContact CB-CE 3.87Å; L287-M348 HydrophobicContact CD1-CE 4.49Å; L339-M348 HydrophobicContact CB-SD 4.33Å; L339-M348 HydrophobicContact CD2-CE 4.17Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.48Å; Y342-M348 CarbonylContact C-O 3.59Å; Y342-M348 HydrophobicContact CD2-CE 3.84Å; Y342-M348 HydrophobicContact CD2-CG 4.25Å; Y342-M348 HydrophobicContact CD2-SD 3.96Å; Y342-M348 HydrophobicContact CE2-CE 4.4Å; Y342-M348 HydrophobicContact CG-CG 4.33Å; Y342-M348 PolarHBondContact O-N 2.91Å; Y343-M348 WeakPolarHBondContact CA-O 3.39Å; Y343-M348 WeakPolarHBondContact CD1-O 3.48Å; M348-K359 CarbonylContact C-O 3.21Å; M348-K359 WeakPolarHBondContact CA-O 3.37Å; M348-K359 WeakPolarHBondContact CB-O 3.21Å; M348-F360 HydrophobicContact CB-CD1 4.3Å; M348-F360 HydrophobicContact CE-CD1 4.09Å; M348-F360 HydrophobicContact CE-CE1 3.54Å; M348-F360 HydrophobicContact CE-CZ 4.18Å
349T96.6Very high95.5Very high68 Ų6873.2 Ų73.242%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-124.7164.6172.7570000110.6Y358 K359T349-Y358 CarbonylContact O-C 3.38Å; T349-Y358 WeakPolarHBondContact O-CA 3.49Å; T349-K359 PolarHBondContact N-O 3.38Å; T349-K359 PolarHBondContact O-N 2.76Å
350K96.3Very high95.4Very high89 Ų8973.4 Ų73.439%0.38735%0.353SS..EExtended strand (participates in β ladder)trans-84.7136.9170.6-171.9-172.9174.4-170.30109.8Y343 H352 Y358Y343-K350 HydrophobicContact CE1-CB 4.42Å; K350-H352 PolarHBondContact O-CD2 3.14Å; K350-Y358 HydrophobicContact CB-CD1 4.3Å; K350-Y358 HydrophobicContact CB-CE1 4.21Å; K350-Y358 HydrophobicContact CG-CD1 4.43Å; K350-Y358 HydrophobicContact CG-CE1 4.15Å
351V96.4Very high95.2Very high25 Ų2570 Ų7015%0.15234%0.343CS..PPolyproline II helixtrans-81.9120166.8-176.70000109.2E308 K354 A357 K359E308-V351 HydrophobicContact CG-CG2 3.86Å; V351-K354 HydrophobicContact CG1-CB 4.23Å; V351-K354 HydrophobicContact CG1-CD 3.96Å; V351-K354 HydrophobicContact CG1-CG 4.14Å; V351-A357 HydrophobicContact CB-CB 3.97Å; V351-A357 HydrophobicContact CG2-CB 4.46Å; V351-A357 PolarHBondContact N-O 2.86Å; V351-K359 HydrophobicContact CG2-CB 4.05Å
352H94.5Very high94.6Very high157 Ų15766.4 Ų66.473%0.72733%0.33SS*.SBendtrans-80.3155.1176-73.1-113.7000110.5K350 K354K350-H352 PolarHBondContact O-CD2 3.14Å; H352-K354 PolarHBondContact O-N 3.07Å; H352-K354 VanDerWaalsContact O-N 3.11Å
353G93.9Very high94.1Very high94 Ų9471.5 Ų71.597%0.96936%0.355SS*.SBendtrans78.7-27.6-173.400000115.1
354K93.7Very high93.7Very high77 Ų7768.4 Ų68.434%0.33534%0.344SS..SBendtrans-97.6148.5175.9-64.7-173.3-176-178.70112.5E303 E308 V351 H352 A357E303-K354 WeakPolarHBondContact OE1-CD 3.48Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.72Å; E303-K354 PolarHBondContact OE1-NZ 3.22Å; E308-K354 IonicContact OE1-NZ 3.7Å; E308-K354 PolarHBondContact OE1-NZ 2.97Å; V351-K354 HydrophobicContact CG1-CB 4.23Å; V351-K354 HydrophobicContact CG1-CD 3.96Å; V351-K354 HydrophobicContact CG1-CG 4.14Å; H352-K354 PolarHBondContact O-N 3.07Å; H352-K354 VanDerWaalsContact O-N 3.11Å; K354-A357 HydrophobicContact CB-CB 3.55Å; K354-A357 HydrophobicContact CD-CB 4.12Å; K354-A357 HydrophobicContact CG-CB 4.5Å
355R95.7Very high93.5Very high190 Ų19061.5 Ų61.572%0.71731%0.307SS*.SBendtrans-84.1138.2171.5-73.2-175.667.91780.4110A357R355-A357 PolarHBondContact O-N 2.67Å
356Y97.8Very high93.1Very high69 Ų6958.1 Ų58.127%0.27130%0.301SS..SBendtrans52.723.2174.6-47.4-67.6000115.7K310 M311 P314 Y332K310-Y356 WeakPolarHBondContact CA-O 3.45Å; M311-Y356 PolarHBondContact N-O 2.72Å; M311-Y356 VanDerWaalsContact O-CB 3.32Å; M311-Y356 WeakPolarHBondContact O-CB 3.4Å; P314-Y356 HydrophobicContact CB-CD1 3.87Å; P314-Y356 HydrophobicContact CB-CE1 4.15Å; P314-Y356 HydrophobicContact CB-CG 4.23Å; P314-Y356 HydrophobicContact CG-CD1 3.9Å; P314-Y356 HydrophobicContact CG-CD2 4.19Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.12Å; P314-Y356 HydrophobicContact CG-CG 4.1Å; Y332-Y356 HydrophobicContact CD1-CE1 4.13Å; Y332-Y356 AromaticContact CE1-CD1 3.88Å; Y332-Y356 HydrophobicContact CE1-CD1 3.88Å; Y332-Y356 AromaticContact CE1-CE1 3.66Å; Y332-Y356 HydrophobicContact CE1-CE1 3.66Å; Y332-Y356 AromaticContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CE1 4.46Å; Y332-Y356 AromaticContact CZ-CD1 3.53Å; Y332-Y356 AromaticContact CZ-CE1 3.84Å
357A97.1Very high92.7Very high1 Ų160.3 Ų60.31%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-105.1140.7-17600000112.3F309 K310 V351 K354 R355F309-A357 CarbonylContact O-C 3.6Å; F309-A357 VanDerWaalsContact O-CA 3.27Å; F309-A357 WeakPolarHBondContact O-CA 3.45Å; K310-A357 HydrophobicContact CB-CB 4.35Å; V351-A357 HydrophobicContact CB-CB 3.97Å; V351-A357 HydrophobicContact CG2-CB 4.46Å; V351-A357 PolarHBondContact N-O 2.86Å; K354-A357 HydrophobicContact CB-CB 3.55Å; K354-A357 HydrophobicContact CD-CB 4.12Å; K354-A357 HydrophobicContact CG-CB 4.5Å; R355-A357 PolarHBondContact O-N 2.67Å
358Y97.5Very high92.1Very high4 Ų461.6 Ų61.62%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-144.7159.9-171.3-67.6-85.5000109.5E308 F309 Y332 L339 Y343 T349 K350E308-Y358 CarbonylContact C-O 3.58Å; E308-Y358 WeakPolarHBondContact CA-O 3.42Å; F309-Y358 WeakPolarHBondContact CD1-O 3.25Å; F309-Y358 HydrophobicContact CE2-CD2 4.39Å; F309-Y358 VanDerWaalsContact CZ-CB 3.5Å; F309-Y358 HydrophobicContact CZ-CD2 4.47Å; F309-Y358 HydrophobicContact CZ-CG 4.26Å; F309-Y358 PolarHBondContact N-O 3.33Å; F309-Y358 PolarHBondContact O-N 3.07Å; F309-Y358 VanDerWaalsContact O-O 3.11Å; Y332-Y358 PolarHBondContact OH-OH 2.71Å; Y332-Y358 VanDerWaalsContact OH-OH 3.08Å; L339-Y358 HydrophobicContact CB-CE1 4.13Å; L339-Y358 HydrophobicContact CD1-CD1 4.28Å; L339-Y358 HydrophobicContact CD1-CD2 4.14Å; L339-Y358 HydrophobicContact CD1-CE1 3.79Å; L339-Y358 HydrophobicContact CD1-CE2 3.64Å; L339-Y358 HydrophobicContact CD1-CG 4.44Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å; Y343-Y358 HydrophobicContact CE1-CE1 4.41Å; T349-Y358 CarbonylContact O-C 3.38Å; T349-Y358 WeakPolarHBondContact O-CA 3.49Å; K350-Y358 HydrophobicContact CB-CD1 4.3Å; K350-Y358 HydrophobicContact CB-CE1 4.21Å; K350-Y358 HydrophobicContact CG-CD1 4.43Å; K350-Y358 HydrophobicContact CG-CE1 4.15Å
359K95.6Very high91.3Very high51 Ų5164.8 Ų64.822%0.22234%0.336CS..EExtended strand (participates in β ladder)trans-138.1120.7-178.9-170.8166.4-157.2140.60110.7T305 N306 G307 E308 M348 T349 V351T305-K359 WeakPolarHBondContact O-CE 3.39Å; T305-K359 PolarHBondContact O-NZ 2.92Å; T305-K359 PolarHBondContact OG1-NZ 3.04Å; N306-K359 WeakPolarHBondContact O-CE 3.47Å; G307-K359 WeakPolarHBondContact O-CA 3.38Å; E308-K359 HydrophobicContact CB-CB 4.27Å; E308-K359 HydrophobicContact CB-CD 4.07Å; E308-K359 HydrophobicContact CB-CG 4Å; E308-K359 IonicContact OE2-NZ 2.74Å; E308-K359 PolarHBondContact OE2-NZ 3.09Å; M348-K359 CarbonylContact C-O 3.21Å; M348-K359 WeakPolarHBondContact CA-O 3.37Å; M348-K359 WeakPolarHBondContact CB-O 3.21Å; T349-K359 PolarHBondContact N-O 3.38Å; T349-K359 PolarHBondContact O-N 2.76Å; V351-K359 HydrophobicContact CG2-CB 4.05Å
360F95.5Very high90.3Very high5 Ų567.4 Ų67.42%0.02234%0.344CS..EExtended strand (participates in β ladder)trans-65.3144171.8-69.8-77.2000110.6L266 W284 L287 L288 L291 W302 G307 F309 I347 M348 I365L266-F360 HydrophobicContact CD1-CD2 4.47Å; W284-F360 HydrophobicContact CB-CE1 4.31Å; L287-F360 HydrophobicContact CB-CZ 4.24Å; L288-F360 HydrophobicContact CD1-CE1 4.4Å; L288-F360 HydrophobicContact CD2-CD2 3.93Å; L288-F360 HydrophobicContact CD2-CE1 4.13Å; L288-F360 HydrophobicContact CD2-CE2 3.5Å; L288-F360 HydrophobicContact CD2-CG 4.42Å; L288-F360 HydrophobicContact CD2-CZ 3.62Å; L288-F360 HydrophobicContact CG-CE1 3.92Å; L288-F360 HydrophobicContact CG-CE2 4.05Å; L288-F360 HydrophobicContact CG-CZ 3.6Å; L291-F360 HydrophobicContact CD1-CE2 3.96Å; W302-F360 HydrophobicContact CH2-CD2 4.07Å; W302-F360 HydrophobicContact CH2-CE2 4.03Å; W302-F360 HydrophobicContact CZ3-CD2 4.01Å; W302-F360 HydrophobicContact CZ3-CE2 4.18Å; G307-F360 PolarHBondContact O-N 2.87Å; F309-F360 AromaticContact CD1-CD2 3.73Å; F309-F360 HydrophobicContact CD1-CD2 3.73Å; F309-F360 AromaticContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CZ 4.43Å; F309-F360 AromaticContact CE1-CD2 3.63Å; F309-F360 HydrophobicContact CE1-CD2 3.63Å; F309-F360 AromaticContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CG 4.4Å; F309-F360 AromaticContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CG-CE2 4.48Å; F309-F360 HydrophobicContact CZ-CE2 4.06Å; F309-F360 HydrophobicContact CZ-CZ 4.21Å; I347-F360 WeakPolarHBondContact O-CA 3.35Å; M348-F360 HydrophobicContact CB-CD1 4.3Å; M348-F360 HydrophobicContact CE-CD1 4.09Å; M348-F360 HydrophobicContact CE-CE1 3.54Å; M348-F360 HydrophobicContact CE-CZ 4.18Å; F360-I365 HydrophobicContact CD1-CD1 3.87Å; F360-I365 HydrophobicContact CD1-CG1 4.25Å; F360-I365 HydrophobicContact CE1-CD1 4.35Å
361D92.1Very high88.6Confident41 Ų4168.8 Ų68.822%0.21936%0.362CS..  trans-107.4115.8168.7170.710.2000108.5N346 I347 H363 G364 I365N346-D361 PolarHBondContact ND2-OD2 2.91Å; N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.22Å; I347-D361 PolarHBondContact O-N 3.15Å; I347-D361 VanDerWaalsContact O-N 3.08Å; D361-H363 PolarHBondContact O-N 3.44Å; D361-H363 IonicContact OD1-CE1 3.8Å; D361-H363 IonicContact OD1-CG 2.82Å; D361-H363 PolarHBondContact OD1-N 2.88Å; D361-H363 IonicContact OD1-ND1 2.81Å; D361-H363 PolarHBondContact OD1-ND1 3.21Å; D361-G364 PolarHBondContact O-N 3.35Å; D361-I365 WeakPolarHBondContact O-CB 3.39Å; D361-I365 VanDerWaalsContact O-CG1 3.3Å; D361-I365 WeakPolarHBondContact O-CG1 3.15Å; D361-I365 PolarHBondContact O-N 3.25Å
362F85.3Confident86.4Confident61 Ų6175 Ų7527%0.26839%0.389SS..Hα-helixtrans-59.8-27.3-174.4-68.7-95.9000112.6I265 L266 N306 A366I265-F362 HydrophobicContact CB-CE1 4.42Å; I265-F362 HydrophobicContact CG2-CE1 3.97Å; L266-F362 HydrophobicContact CD1-CE1 4.05Å; L266-F362 HydrophobicContact CD1-CZ 3.81Å; L266-F362 HydrophobicContact CD2-CD1 4.08Å; L266-F362 HydrophobicContact CD2-CE1 3.53Å; L266-F362 HydrophobicContact CD2-CZ 4.14Å; L266-F362 HydrophobicContact CG-CE1 3.65Å; L266-F362 HydrophobicContact CG-CZ 3.9Å; N306-F362 HydrophobicContact CB-CE2 4.4Å; F362-A366 VanDerWaalsContact O-CB 3.25Å; F362-A366 WeakPolarHBondContact O-CB 3.36Å; F362-A366 PolarHBondContact O-N 2.72Å
363H85.8Confident83.8Confident137 Ų13772.4 Ų72.463%0.63439%0.386SS*.Hα-helixtrans-73-50.3-177.9-5390.3000111.9D361 I365 A366 Q367D361-H363 PolarHBondContact O-N 3.44Å; D361-H363 IonicContact OD1-CE1 3.8Å; D361-H363 IonicContact OD1-CG 2.82Å; D361-H363 PolarHBondContact OD1-N 2.88Å; D361-H363 IonicContact OD1-ND1 2.81Å; D361-H363 PolarHBondContact OD1-ND1 3.21Å; H363-I365 VanDerWaalsContact C-N 3.34Å; H363-A366 PolarHBondContact O-N 2.8Å; H363-Q367 WeakPolarHBondContact O-CG 3.37Å; H363-Q367 PolarHBondContact O-N 2.95Å
364G87.3Confident81.4Confident3 Ų374.1 Ų74.13%0.03138%0.378CS..Hα-helixtrans-74.7-24.3176.700000112.9N346 D361 A368N346-G364 WeakPolarHBondContact O-CA 3.1Å; N346-G364 PolarHBondContact O-N 2.82Å; D361-G364 PolarHBondContact O-N 3.35Å; G364-A368 VanDerWaalsContact O-CB 3.24Å; G364-A368 WeakPolarHBondContact O-CB 3.5Å; G364-A368 PolarHBondContact O-N 3.07Å
365I87.6Confident78.6Confident5 Ų578.8 Ų78.83%0.02640%0.401CS..Hα-helixtrans-60.7-54.1163.5-70.7-72.3000110.1W284 L288 I347 F360 D361 H363 Q367 A368 L369W284-I365 HydrophobicContact CD2-CD1 4.04Å; W284-I365 HydrophobicContact CE3-CD1 3.35Å; W284-I365 HydrophobicContact CZ3-CD1 3.67Å; W284-I365 HydrophobicContact CZ3-CG2 4.49Å; L288-I365 HydrophobicContact CD1-CD1 4.43Å; I347-I365 HydrophobicContact CG2-CD1 3.99Å; F360-I365 HydrophobicContact CD1-CD1 3.87Å; F360-I365 HydrophobicContact CD1-CG1 4.25Å; F360-I365 HydrophobicContact CE1-CD1 4.35Å; D361-I365 WeakPolarHBondContact O-CB 3.39Å; D361-I365 VanDerWaalsContact O-CG1 3.3Å; D361-I365 WeakPolarHBondContact O-CG1 3.15Å; D361-I365 PolarHBondContact O-N 3.25Å; H363-I365 VanDerWaalsContact C-N 3.34Å; I365-Q367 VanDerWaalsContact C-N 3.26Å; I365-Q367 PolarHBondContact O-N 2.75Å; I365-A368 CarbonylContact O-C 3.5Å; I365-A368 WeakPolarHBondContact O-CA 3.39Å; I365-A368 WeakPolarHBondContact O-CB 3.42Å; I365-A368 PolarHBondContact O-N 2.88Å; I365-L369 HydrophobicContact CG2-CD2 4.17Å; I365-L369 HydrophobicContact CG2-CG 4.49Å; I365-L369 VanDerWaalsContact O-CD2 3.31Å; I365-L369 WeakPolarHBondContact O-CD2 3.38Å; I365-L369 VanDerWaalsContact O-CG 3.23Å; I365-L369 WeakPolarHBondContact O-CG 3.28Å; I365-L369 PolarHBondContact O-N 3.19Å
366A83.6Confident75.9Confident50 Ų5073.6 Ų73.641%0.41339%0.394SS..Hα-helixtrans-58.9-34.4179.900000113.4F362 H363 L369 Q370F362-A366 VanDerWaalsContact O-CB 3.25Å; F362-A366 WeakPolarHBondContact O-CB 3.36Å; F362-A366 PolarHBondContact O-N 2.72Å; H363-A366 PolarHBondContact O-N 2.8Å; A366-L369 PolarHBondContact O-N 2.7Å; A366-Q370 PolarHBondContact O-NE2 3.5Å
367Q84.9Confident73.2Confident137 Ų13776.3 Ų76.364%0.6442%0.423SS*.Hα-helixtrans-69.1-41.4171-69.4176.12300112.2H363 I365 L369 Q370H363-Q367 WeakPolarHBondContact O-CG 3.37Å; H363-Q367 PolarHBondContact O-N 2.95Å; I365-Q367 VanDerWaalsContact C-N 3.26Å; I365-Q367 PolarHBondContact O-N 2.75Å; Q367-L369 PolarHBondContact O-N 3.43Å; Q367-Q370 WeakPolarHBondContact O-CB 3.42Å; Q367-Q370 WeakPolarHBondContact O-CG 3.41Å; Q367-Q370 PolarHBondContact O-N 2.85Å; Q367-Q370 VanDerWaalsContact O-N 3.11Å
368A81.8Confident70.2Confident29 Ų2984.2 Ų84.224%0.2446%0.462CS..Hα-helixtrans-69.5-7175.300000114.1W284 I347 G364 I365W284-A368 HydrophobicContact CH2-CB 4.4Å; W284-A368 HydrophobicContact CZ2-CB 3.85Å; I347-A368 HydrophobicContact CD1-CB 4.1Å; I347-A368 HydrophobicContact CG1-CB 4.32Å; G364-A368 VanDerWaalsContact O-CB 3.24Å; G364-A368 WeakPolarHBondContact O-CB 3.5Å; G364-A368 PolarHBondContact O-N 3.07Å; I365-A368 CarbonylContact O-C 3.5Å; I365-A368 WeakPolarHBondContact O-CA 3.39Å; I365-A368 WeakPolarHBondContact O-CB 3.42Å; I365-A368 PolarHBondContact O-N 2.88Å
369L78.4Confident67.2Low67 Ų6794.8 Ų94.835%0.35150%0.503SS..THydrogen-bonded Turntrans-89.5-14.6171.3-49.4-159.4000112.8T269 L273 W284 I365 A366 Q367T269-L369 HydrophobicContact CG2-CD1 4.25Å; L273-L369 HydrophobicContact CD1-CD1 4.05Å; L273-L369 HydrophobicContact CD1-CD2 3.38Å; L273-L369 HydrophobicContact CD1-CG 4.36Å; L273-L369 HydrophobicContact CD2-CD1 4.16Å; L273-L369 HydrophobicContact CD2-CD2 3.69Å; L273-L369 HydrophobicContact CD2-CG 4.39Å; L273-L369 HydrophobicContact CG-CD2 4.18Å; W284-L369 HydrophobicContact CH2-CD2 3.5Å; W284-L369 VanDerWaalsContact CH2-CD2 3.5Å; W284-L369 HydrophobicContact CZ2-CD2 4.49Å; W284-L369 HydrophobicContact CZ3-CD2 4.08Å; I365-L369 HydrophobicContact CG2-CD2 4.17Å; I365-L369 HydrophobicContact CG2-CG 4.49Å; I365-L369 VanDerWaalsContact O-CD2 3.31Å; I365-L369 WeakPolarHBondContact O-CD2 3.38Å; I365-L369 VanDerWaalsContact O-CG 3.23Å; I365-L369 WeakPolarHBondContact O-CG 3.28Å; I365-L369 PolarHBondContact O-N 3.19Å; A366-L369 PolarHBondContact O-N 2.7Å; Q367-L369 PolarHBondContact O-N 3.43Å
370Q75.6Confident64.3Low124 Ų124101.9 Ų101.958%0.57953%0.534SS*.SBendtrans-64.8133.6179.7-62.4-54.9-53.300109.4A366 Q367 H372A366-Q370 PolarHBondContact O-NE2 3.5Å; Q367-Q370 WeakPolarHBondContact O-CB 3.42Å; Q367-Q370 WeakPolarHBondContact O-CG 3.41Å; Q367-Q370 PolarHBondContact O-N 2.85Å; Q367-Q370 VanDerWaalsContact O-N 3.11Å; Q370-H372 PolarHBondContact O-N 3.06Å
371P60.3Low61.4Low118 Ų118111.2 Ų111.277%0.76657%0.57SS**  trans-6799.5175.727.8-33.1000108.5
372H49.5Very low58.7Low154 Ų154115 Ų11571%0.71360%0.598SS**  trans-54.8127.1166.7-73.9-54000107.9Q370 T374Q370-H372 PolarHBondContact O-N 3.06Å; H372-T374 PolarHBondContact O-N 2.73Å
373P41.4Very low56.6Low104 Ų104117.3 Ų117.368%0.67562%0.621SS**  trans-57.4144.2173.226-33.8000108.5E375P373-E375 PolarHBondContact O-N 2.99Å
374T43.4Very low54.4Low129 Ų129117.5 Ų117.579%0.79163%0.627SS**  trans-72.280.7-17849.90000110.4H372 S376H372-T374 PolarHBondContact O-N 2.73Å; T374-S376 PolarHBondContact O-N 3.08Å; T374-S376 PolarHBondContact O-OG 3.38Å
375E35.4Very low52Low175 Ų175125.3 Ų125.382%0.81867%0.666SS**  trans-5582.2159.2-79.6-66.4141.900108P373P373-E375 PolarHBondContact O-N 2.99Å
376S38.3Very low49.6Very low82 Ų82130 Ų13057%0.57370%0.699SS**  trans-69.4143.7-179-590000107.8T374 M378T374-S376 PolarHBondContact O-N 3.08Å; T374-S376 PolarHBondContact O-OG 3.38Å; S376-M378 PolarHBondContact O-N 3.28Å
377S40.4Very low47.5Very low125 Ų125137.6 Ų137.687%0.87472%0.719SS**  trans-69.634.2-176.9-47.50000114.7Y379S377-Y379 PolarHBondContact O-N 3.19Å
378M34.2Very low45.2Very low167 Ų167138.8 Ų138.882%0.82373%0.726SS**  trans-78.597176.7-171.4160.971.100109S376 K380S376-M378 PolarHBondContact O-N 3.28Å; M378-K380 PolarHBondContact O-N 3.22Å
379Y35.4Very low43.3Very low226 Ų226141.8 Ų141.889%0.88674%0.743SS**  trans-48.1104.1172.9-98.2-100.7000110.9S377 Y381S377-Y379 PolarHBondContact O-N 3.19Å; Y379-Y381 PolarHBondContact O-N 3.04Å
380K33.4Very low41.1Very low201 Ų201144.5 Ų144.587%0.87477%0.768SS**  trans-76.895.5175.4-165.3176.5-174.1-178.80108.8M378M378-K380 PolarHBondContact O-N 3.22Å
381Y35.3Very low39Very low200 Ų200149.2 Ų149.278%0.78478%0.782SS**  trans-53.3134.7172.8-130.1-91.2000109.8Y379 S383Y379-Y381 PolarHBondContact O-N 3.04Å; Y381-S383 PolarHBondContact O-N 3.28Å
382P35.3Very low38Very low122 Ų122152.6 Ų152.679%0.79279%0.787SS**  trans-70.490.9178-21.634.7000112.2D384P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 PolarHBondContact O-N 3Å; P382-D384 VanDerWaalsContact O-N 3.09Å
383S42.1Very low37.1Very low109 Ų109149.4 Ų149.476%0.76279%0.787SS**  trans-83.162.6178.1-59.50000112.5Y381Y381-S383 PolarHBondContact O-N 3.28Å
384D39.1Very low36.7Very low140 Ų140153.4 Ų153.475%0.74980%0.797SS**  trans-146.991.8175.8-102.3-50.4000112.9P382P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 PolarHBondContact O-N 3Å; P382-D384 VanDerWaalsContact O-N 3.09Å
385I36.3Very low36.3Very low167 Ų167154.2 Ų154.286%0.85679%0.791SS**  trans-138.8111.5144.1-90.1164.4000105.6
386S37.9Very low36.3Very low103 Ų103153.3 Ų153.372%0.7279%0.787SS**  trans-111.296.5178.6-70.50000109.8
387Y38.4Very low36.2Very low211 Ų211157.3 Ų157.383%0.82779%0.794SS**  trans-149.5149.3174.5-111.3-85.9000112.6
388M37.9Very low36Very low161 Ų161157.4 Ų157.479%0.79379%0.789SS**SBendtrans77.9148.7178.4-65.3-74.785.300117.2
389P40.5Very low36.2Very low93 Ų93156.2 Ų156.260%0.60479%0.786SS**  trans-119.4167.4-131.241.7-32.8000116.2
390S32.3Very low36.3Very low123 Ų123155.4 Ų155.486%0.8679%0.788SS**  trans-61.8131.9179.9-46.50000114.3
391Y32.9Very low36.8Very low224 Ų224151.8 Ų151.888%0.87878%0.782SS**  trans-114.8150.1159.3-86.3-87.6000110.8
392H39Very low37.7Very low189 Ų189147.1 Ų147.188%0.87578%0.776SS**  trans-93.9134.3-165.4-117.5-47.2000114
393A30.8Very low38.5Very low86 Ų86147.1 Ų147.171%0.71178%0.776SS**  trans47.3116.3138.600000121.7
394H31.9Very low38.3Very low189 Ų189150.1 Ų150.188%0.87578%0.778SS**  trans-144.4171.2130.6-148.769.1000111.4
395Q35.1Very low38.7Very low145 Ų145150 Ų15068%0.67878%0.784SS**  trans-120.5170.1-170.6-61.4-174.2-4.200114.3
396Q36.1Very low38.6Very low156 Ų156147.3 Ų147.373%0.72978%0.781SS**  trans76.6151.7155.2-51.5-148.724.300116.8
397K35.4Very low38.3Very low166 Ų166148.2 Ų148.272%0.72279%0.787SS**  cis-174.1158-16.9163.9178.6170.8-171.80110.3
398V36.7Very low38.2Very low128 Ų128146.8 Ų146.878%0.77679%0.79SS**  trans64.5145.5168.1-73.10000122.3
399N39.3Very low38.6Very low141 Ų141144.5 Ų144.575%0.75479%0.787SS**  trans-75159.8164.8-53.55.8000112.1
400F36.3Very low38.2Very low210 Ų210145.9 Ų145.992%0.92179%0.794SS**  -167.9163.4125.5-104.8-69.2000111.2
401V44.6Very low38.3Very low125 Ų125146.3 Ų146.376%0.75879%0.791SS**  trans-158.3161-166.7-166.60000109
402P54.6Low38.5Very low102 Ų102140.9 Ų140.966%0.66279%0.786SS**  -107.7-154.4-50.538.7-21000110.1
403P50.6Low38.4Very low121 Ų121136 Ų13679%0.78677%0.774SS**  -146.3177.767.737.9-16.4000116.6
404H37.9Very low38.7Very low173 Ų173137.7 Ų137.780%0.80178%0.78SS**  trans-91.3165.9170.3-49.8-86.2000111.6
405P47.7Very low39.2Very low136 Ų136137.2 Ų137.288%0.88378%0.776SS**  -146.5-161.591.639.6-21.4000115
406S34.4Very low39.4Very low112 Ų112140 Ų14078%0.78379%0.786SS**  trans-122.8161.8-156.654.30000116.2
407S31.9Very low39.1Very low122 Ų122136.1 Ų136.185%0.85379%0.788SS**  trans175.9159138370000114
408M36Very low39.1Very low180 Ų180133.3 Ų133.389%0.88780%0.796SS**  trans-100.1174.1163.9-51.1179.3-174.800109.7
409P46.7Very low38.8Very low114 Ų114131.8 Ų131.874%0.7480%0.797SS**  -159.8163.388.241.5-20.7000119.9
410V32.2Very low38.6Very low121 Ų121131 Ų13173%0.73380%0.802SS**  trans57.3123.4147.1-62.40000126
411T33.5Very low39.3Very low132 Ų132126.3 Ų126.381%0.8179%0.793SS**  trans46.5148.6130.471.50000121.8
412S37.7Very low38.6Very low110 Ų110130 Ų13077%0.76980%0.795SS**  cis-162.9-171.440.2680000110.3
413S36.4Very low37.7Very low88 Ų88135.5 Ų135.562%0.61580%0.802SS**  cis-155.7164.15.2460000109.9
414S38.4Very low36.8Very low121 Ų121135.2 Ų135.285%0.84680%0.798SS**  trans-107.2145.4172.4-57.30000111.4
415F40.8Very low36.5Very low178 Ų178132.1 Ų132.178%0.78180%0.796SS**  trans-120.7155.2172.2-88.4-98.4000112.2
416F40Very low36.9Very low203 Ų203130.6 Ų130.689%0.8979%0.786SS**  trans-60.9162.9-166.5-59.5-92.1000115.6
417G29.5Very low36.9Very low75 Ų75132.1 Ų132.177%0.77379%0.791SS**  cis-173.3-162.27.300000113.1
418A35.2Very low36.9Very low108 Ų108130.3 Ų130.389%0.89379%0.792SS**  trans-142.6153.1-170.900000114
419A31.7Very low36.8Very low96 Ų96125.2 Ų125.279%0.79379%0.785SS**  trans-161.7107161.900000113.8
420S33.5Very low36.2Very low123 Ų123127.7 Ų127.786%0.8679%0.79SS**  trans43.1152.3141.2-56.90000125
421P52.7Low36.5Very low112 Ų112132.5 Ų132.573%0.72780%0.797SS**  trans-103.4167.7-175.341.3-36.2000114.8
422Y29.9Very low37.4Very low204 Ų204131.8 Ų131.880%0.880%0.795SS**  trans-157.1141.6164.7-101.6-64.5000116.4
423W34.6Very low37Very low217 Ų217134 Ų13482%0.82280%0.798SS**  trans71.2171.2156.5-69.7118.8000122
424T32.6Very low37.8Very low114 Ų114134.5 Ų134.570%0.69980%0.799SS**  trans-133.4164.4-148.153.70000114.7
425S32.3Very low37.5Very low109 Ų109136.1 Ų136.176%0.76280%0.798SS**  trans-13.6162.7152.2-56.30000120.2
426P56Low37.7Very low104 Ų104133.8 Ų133.868%0.67580%0.798SS**  cis-142.9-173.7-23.937.6-17.7000115.1
427T34.5Very low38.3Very low144 Ų144129.4 Ų129.488%0.88379%0.79SS**  trans64.3141.3155.646.40000121.3
428G31.2Very low38.8Very low84 Ų84137 Ų13787%0.86680%0.795SS**  trans138.2134167.900000112.8
429G34.2Very low38.9Very low72 Ų72140.3 Ų140.374%0.74279%0.792SS**  trans-149.6159.3179.900000113.2
430I33.9Very low39.9Very low166 Ų166140.8 Ų140.885%0.85179%0.787SS**  trans-141.4136.9178.7-76.2104.3000110.1
431Y37.5Very low40Very low223 Ų223141.7 Ų141.788%0.87578%0.782SS**  trans-113.4156.9162.5-78-84.1000108
432P52Low39.4Very low117 Ų117142.2 Ų142.276%0.7678%0.783SS**  -155.7141.691.337.5-18000117.6
433N30.7Very low39.7Very low156 Ų156140.1 Ų140.183%0.83478%0.781SS**  trans-169.7165.2137.4-113.3-12000111
434P51.9Low40.1Very low98 Ų98135.5 Ų135.564%0.63678%0.776SS**  -134.6-177.9-124.441.2-22.2000117.3
435N32.8Very low40.7Very low156 Ų156135.3 Ų135.383%0.83478%0.777SS**  trans65.486.4157.7-66.92.2000119.5
436V45.6Very low41Very low128 Ų128135.1 Ų135.178%0.77678%0.776SS**  trans-84.2167.4139.2-143.40000108.4
437P51.4Low40.5Very low111 Ų111138.4 Ų138.472%0.72178%0.781SS**  -147.3148.482.435.3-16000116.6
438R40Very low40.8Very low235 Ų235140.4 Ų140.489%0.88779%0.786SS**  trans-90.2150.4150.8-85.5178.8167161.3-5.2108.7
439H38.8Very low41.2Very low177 Ų177140.2 Ų140.282%0.81978%0.784SS**  trans-96.7160166.7-94-98.3000112.2
440P51.7Low41.5Very low107 Ų107141.3 Ų141.370%0.69578%0.78SS**  trans-118.3-179.2-141.343.3-35.3000115.4
441N36.8Very low41.7Very low142 Ų142143.2 Ų143.276%0.75978%0.778SS**  trans-89.2161.3164.6-160.916.6000110.5
442T38.8Very low42.2Very low123 Ų123147 Ų14776%0.75579%0.793SS**  trans-137.6146178.4-540000111.3
443H37.1Very low41.7Very low160 Ų160148.5 Ų148.574%0.74180%0.795SS**  trans-104.9160.3-170.1-81.2-107.7000114.7
444V41.9Very low42.3Very low119 Ų119148.1 Ų148.172%0.72179%0.793SS**  trans-12.2159.1166-52.20000120.4
445P45.4Very low41.8Very low110 Ų110150.9 Ų150.971%0.71480%0.801SS**  -135.3167.796.239.4-30.5000115.3
446S39.3Very low42.3Very low106 Ų106150.6 Ų150.674%0.74180%0.799SS**  trans-108.9137.3-179.2-48.20000111.6
447H44.1Very low42.1Very low172 Ų172152 Ų15280%0.79680%0.801SS**  trans-139142.3171.2-64.1-74.2000111.4
448L42.4Very low41.5Very low186 Ų186154.7 Ų154.797%0.97481%0.806SS**  trans-87.7151.9172.6-68.687.6000110.6
449G37.9Very low41.6Very low81 Ų81149 Ų14984%0.83580%0.8SS**  trans-163.2132.6169.600000110.5
450S40.4Very low41.8Very low94 Ų94146.8 Ų146.866%0.65780%0.799SS**  trans-109.8168.5-175.3-177.30000111.4
451Y39.5Very low41Very low206 Ų206150.2 Ų150.281%0.80881%0.808SS**  trans75.4112.8170.9-49.3-77.6000116.5
452Y48.3Very low41.4Very low303 Ų303150.9 Ų150.9100%1.18881%0.812SS**  -143.6080.6-110.2-83000111

Retrieved 452 of 452 residues in 92.5 ms (Link to these results)