A0A087XGF5_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

Hydrolase that can specifically remove 'Lys-48'-linked conjugated ubiquitin from proteins. Has exodeubiquitinase activity and has a preference for long polyubiquitin chains. May play a regulatory role at the level of protein turnover.

AlphaFold DB , UniProt , Accession A0A087XGF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M35.9Very low35.1Very low248 Ų248142.9 Ų142.9100%1.22279%0.791SS**  0106.10-55.1173.6-170.900104.4
2G34.3Very low35.1Very low69 Ų69138.7 Ų138.771%0.71178%0.779SS**  cis100132.34600000106.5
3H37.8Very low35Very low170 Ų170143.4 Ų143.479%0.78779%0.791SS**  cis-143.5162.824.5-94.5-100.1000113
4D36Very low34.7Very low122 Ų122139.1 Ų139.165%0.65280%0.796SS**  trans42.9126.3142.5-60.8-46.2000121.2
5S38.8Very low34.4Very low87 Ų87135 Ų13561%0.60880%0.796SS**  81.8122.650.2-580000112.9
6E35.9Very low34.4Very low162 Ų162133.1 Ų133.176%0.75780%0.8SS**  trans71154.9143.1-66.3-170.412400118.7
7Q34.8Very low34.5Very low149 Ų149133 Ų13370%0.69681%0.807SS**  cis-154.2162.7-3.8-125.6175.53300110.7
8V30.9Very low34.6Very low128 Ų128136.6 Ų136.678%0.77681%0.81SS**  trans37.5121.1145.3173.50000120.4
9A34.3Very low34.5Very low98 Ų98137.8 Ų137.881%0.8181%0.812SS**  -159.3122126.800000110.5
10E34.8Very low34.4Very low189 Ų189138.2 Ų138.288%0.88382%0.815SS**  trans-84.9147.2161.7-63.1176.9100.300109.3
11D32.9Very low34.2Very low150 Ų150137.6 Ų137.680%0.80281%0.808SS**  trans-157.5135.5132.1-137.7-21.2000115.5
12S34.8Very low34Very low92 Ų92132.5 Ų132.564%0.64379%0.786SS**  trans12.7125.4153-56.50000123.8
13Q33.8Very low34Very low200 Ų200137.7 Ų137.794%0.93579%0.789SS**  48.3115.2128.7-59.1-172.4-1.800120.9
14G30.4Very low33.8Very low84 Ų84133 Ų13387%0.86678%0.78SS**  trans-139.7113.9158.600000111.6
15G30.7Very low33.5Very low77 Ų77134 Ų13479%0.79479%0.786SS**  trans-98.1140.2-171.400000115.5
16A34.5Very low33.1Very low104 Ų104134 Ų13486%0.8679%0.785SS**  trans36.5128.9153.600000121
17S35.9Very low32.9Very low132 Ų132134 Ų13492%0.92379%0.79SS**  trans-136.3153.6154.6-800000110.7
18K37Very low32.8Very low197 Ų197131.8 Ų131.886%0.85779%0.79SS**  trans-125.9165.1-162.4-115.3-179.2-179.4177.70112
19L32.3Very low32.7Very low161 Ų161131.1 Ų131.184%0.84379%0.791SS**  trans76154.1174.3-54.2134.5000112.7
20V33Very low32.8Very low145 Ų145131.6 Ų131.688%0.87979%0.789SS**  cis-127.7168.125.3176.10000112.8
21N30.5Very low33.5Very low126 Ų126128.7 Ų128.767%0.67479%0.786SS**  trans-104.2148.7-166.6175.145000114.6
22N31.1Very low33.5Very low140 Ų140126.6 Ų126.675%0.74979%0.79SS**  trans178112.4141.5-91.7-39.7000108.6
23K34Very low33.3Very low178 Ų178125.4 Ų125.477%0.77479%0.792SS**  76.1126.181.4-179.6-176174.1-174.50111.6
24A32.6Very low33.2Very low73 Ų73123.9 Ų123.960%0.60379%0.79SS**  cis-143-147.18.300000110.5
25D30.1Very low33.1Very low143 Ų143124.6 Ų124.677%0.76578%0.782SS**  cis-159.5-163.33.4-137.5-53.3000112.9
26S30.5Very low33.2Very low85 Ų85127.7 Ų127.759%0.59478%0.779SS**  trans-24.8128.3174.756.50000118.9
27L33.2Very low32.9Very low164 Ų164131.6 Ų131.686%0.85978%0.779SS**  74.3148.865.9-68.2166.3000113.8
28S31.2Very low32.7Very low102 Ų102129.3 Ų129.371%0.71377%0.768SS**  cis-176162.4-1.640.80000109
29S30Very low32.3Very low113 Ų113128.1 Ų128.179%0.7976%0.763SS**  cis-170.8175.6-16.156.20000109.2
30S35.2Very low32.1Very low108 Ų108124.1 Ų124.176%0.75575%0.753SS**  trans-82.2169.4165.153.80000112.4
31P49.8Very low31.8Very low128 Ų128124.5 Ų124.583%0.83175%0.746SS**  -151.6-162.6105.341-22.3000114.8
32A33.1Very low31.6Very low107 Ų107126.1 Ų126.188%0.88475%0.753SS**  trans-142.9173.6-177.300000112.8
33G30.1Very low32.3Very low67 Ų67125.2 Ų125.269%0.69176%0.755SS**  trans133.4131.6154.700000119.1
34D31.2Very low32.2Very low167 Ų167120.7 Ų120.789%0.89375%0.751SS**  trans61154.5146-66.9-15.9000123.5
35S29.8Very low31.8Very low100 Ų100123.2 Ų123.270%0.69976%0.763SS**  cis-175.7-177.1-23.5-171.80000111.4
36I32.2Very low31.7Very low142 Ų142119.8 Ų119.873%0.72876%0.761SS**  trans96119.6153.9-63.1174.2000122.2
37H28.7Very low31.7Very low185 Ų185123.7 Ų123.786%0.85677%0.77SS**  trans46.3148.3152.3-72.1-40.1000122.6
38A30.7Very low31.5Very low84 Ų84120.5 Ų120.569%0.69476%0.761SS**  cis-160.5-155.5-14.100000106.1
39K28.7Very low31.2Very low172 Ų172124.9 Ų124.975%0.74877%0.77SS**  cis-170.5162.71.8-134.2-131.2156.3-172.40103.6E41K39-E41 IonicContact NZ-OE1 2.63Å; K39-E41 PolarHBondContact NZ-OE1 3.39Å
40A29.5Very low31.2Very low77 Ų77129 Ų12964%0.63678%0.777SS**  cis-173.5-158.7-17.900000105.5
41E24.8Very low30.9Very low154 Ų154128.2 Ų128.272%0.7278%0.778SS**  cis-138.3-145.28.2-65.9-161.915500110.6K39K39-E41 IonicContact NZ-OE1 2.63Å; K39-E41 PolarHBondContact NZ-OE1 3.39Å
42L27.4Very low29.8Very low159 Ų159131.5 Ų131.583%0.83278%0.779SS**  trans-142.7-178.8-171.6-66.1167.1000111.7
43P46.1Very low29.5Very low122 Ų122133.9 Ų133.979%0.79278%0.776SS**  -125.6151.673.57.416.9000113.2
44A30.7Very low29.2Very low82 Ų82135.4 Ų135.468%0.67878%0.782SS**  cis82.1132.846.200000113.6
45C25.7Very low28.9Very low127 Ų127137 Ų13786%0.85878%0.781SS**  cis-147.7-176.1-6.6-970000108
46G27.6Very low29.3Very low71 Ų71137.3 Ų137.373%0.73278%0.781SS**  cis-174.9-160.89.700000108.9
47E29.3Very low29.1Very low166 Ų166137 Ų13778%0.77679%0.786SS**  cis-167.3-164.8-4.7-114.7-80.413.600110.5
48S29.3Very low29.1Very low97 Ų97132.2 Ų132.268%0.67878%0.778SS**  trans-66.5172.6-169.3-61.20000118
49E25.8Very low28.8Very low194 Ų194136.1 Ų136.191%0.90779%0.786SS**  cis-148.1167.229.8-74.6-171.282.500116
50Q29.2Very low28.7Very low199 Ų199133.1 Ų133.193%0.9379%0.786SS**  trans-159.5120164-160.1-172.478.100113.4
51A28.8Very low28.8Very low93 Ų93135.2 Ų135.277%0.76979%0.793SS**  trans-162.1111.2171.500000118.7
52K27.5Very low28.8Very low196 Ų196134.6 Ų134.685%0.85280%0.795SS**  trans42.9123.2132.9-94.6-179.5174.7176.30123.8
53L25.7Very low28.8Very low157 Ų157131.4 Ų131.482%0.82279%0.785SS**  141.814596.2-149.473000117.6
54A25.5Very low27.8Very low99 Ų99129.4 Ų129.482%0.81878%0.779SS**  trans96.5160.314900000122.4
55K24.6Very low27.6Very low200 Ų200132.9 Ų132.987%0.8779%0.787SS**  trans-133.1-167.8-160.7-125-172.6174.1-1770108.6
56P38.6Very low27.5Very low107 Ų107131.3 Ų131.370%0.69578%0.783SS**  cis-138.6163.1-31.637.4-20000116.3
57T27.7Very low27.4Very low137 Ų137132.5 Ų132.584%0.8479%0.785SS**  trans-152.1115.9156.1-33.50000107.4
58A27.1Very low27.2Very low84 Ų84132.6 Ų132.669%0.69479%0.791SS**  51.9134.485.900000114.7
59L25.6Very low27Very low166 Ų166131.3 Ų131.387%0.86979%0.794SS**  cis-159.9161.41.3-119.9169.4000110.3
60C26.1Very low27Very low108 Ų108131.2 Ų131.273%0.7379%0.79SS**  trans-85.6161.4168.6-57.60000112
61P32.3Very low26.8Very low122 Ų122127.6 Ų127.679%0.79279%0.787SS**  -128.9141.1116.235.3-27.4000110.7
62D24.5Very low26.6Very low141 Ų141126.3 Ų126.375%0.75478%0.783SS**  cis69122.318.1-138.566.1000114.1
63S27.1Very low26.5Very low91 Ų91126.1 Ų126.164%0.63679%0.785SS**  cis-162.8166.62.7240000113.1
64A25.6Very low26.5Very low81 Ų81122.4 Ų122.467%0.66977%0.772SS**  trans69.6130.1141.500000123.3
65N25.2Very low26.6Very low155 Ų155124 Ų12483%0.82977%0.767SS**  trans80.1104.1131.3-66.8-4.3000123
66A24.9Very low26.7Very low94 Ų94122 Ų12278%0.77776%0.76SS**  92134.8106.800000122.3
67A25.5Very low26.1Very low95 Ų95122.9 Ų122.979%0.78576%0.764SS**  trans80.6124.5143.900000121.8
68D25.1Very low26.2Very low169 Ų169123.6 Ų123.690%0.90476%0.762SS**  trans71166.6145.8-128.7-44.3000119.8
69G25Very low26.2Very low70 Ų70123.9 Ų123.972%0.72276%0.759SS**  trans115.563.4162.300000119.9
70K25.7Very low26.3Very low191 Ų191124.8 Ų124.883%0.8376%0.758SS**  trans-9.9142156.7-65.8174.4172.8174.30121.4
71S23.9Very low26.4Very low124 Ų124122.7 Ų122.787%0.86776%0.755SS**  trans76.5150.8130.268.80000123
72G25.1Very low26.3Very low66 Ų66125 Ų12568%0.6876%0.76SS**  trans119120.1-175.500000109.7
73Q25.7Very low27.1Very low191 Ų191124.3 Ų124.389%0.89376%0.763SS**  cis55.1131.137.6-70.4-172.7-35.700113.8
74S26.6Very low27Very low79 Ų79125.3 Ų125.355%0.55277%0.77SS**  cis-167.5-177.8-11.142.90000109.3
75D26.2Very low27.1Very low134 Ų134124.2 Ų124.272%0.71777%0.767SS**  trans71.2157.1156.8-55.4-50.6000118.5
76H28Very low27.3Very low158 Ų158122.7 Ų122.773%0.73177%0.768SS**  cis-171177.8-40.6-133.2-84.9000106.5
77T26.4Very low27.7Very low124 Ų124125.6 Ų125.676%0.76177%0.771SS**  trans74.4151.2167.873.20000118.5
78L27.9Very low28.6Very low153 Ų153127 Ų12780%0.80177%0.771SS**  cis-173.4163-39.5-112.8170.1000108.6
79S28.7Very low28.8Very low90 Ų90126 Ų12663%0.62977%0.766SS**  trans66.1159169.1-70.50000116.6
80E27.6Very low29.5Very low184 Ų184127.5 Ų127.586%0.8676%0.763SS**  cis-158.2172.3-15.7-113.9162.377.100108.2
81G27.2Very low29.6Very low64 Ų64123.6 Ų123.666%0.6676%0.76SS**  cis-170.9-176.14.400000112.2
82L30.7Very low30.1Very low171 Ų171126.2 Ų126.290%0.89576%0.763SS**  trans-117.6158.4-176.5-70.8168.6000111.1
83P40.3Very low30.2Very low126 Ų126126.6 Ų126.682%0.81877%0.767SS**  -142.4-175.581.440.7-23.6000112.3
84S25.9Very low30.3Very low113 Ų113121.1 Ų121.179%0.7976%0.762SS**  cis-151.9156.53.2-167.90000106
85G26.8Very low30.3Very low58 Ų58124.8 Ų124.860%0.59877%0.77SS**  cis82.3119.336.300000111.3
86S31.2Very low30.6Very low122 Ų122123.9 Ų123.985%0.85377%0.774SS**  cis-162.7169.50.8-59.10000112
87D32.4Very low30.7Very low156 Ų156126.1 Ų126.183%0.83478%0.776SS**  trans-59.3169.6171-65.1-72.9000115.4
88P44.2Very low30.8Very low123 Ų123125.9 Ų125.980%0.79978%0.78SS**  cis-147-170.826.744.9-23.3000119.9
89D29.4Very low30.9Very low149 Ų149127 Ų12780%0.79779%0.785SS**  trans-51.5175.3170.5-141.631.9000115.5
90P40.8Very low30.8Very low102 Ų102129.9 Ų129.966%0.66279%0.793SS**  cis-138.2169.63.944.4-28.1000118.1
91S26.6Very low30.8Very low108 Ų108125.1 Ų125.176%0.75578%0.78SS**  trans171.5107.6132.858.50000116.6
92L33.8Very low31Very low180 Ų180129.1 Ų129.194%0.94279%0.785SS**  trans-156.1148.4151.3-73.1-175.8000107.2
93G28.7Very low30.9Very low73 Ų73128.2 Ų128.275%0.75378%0.777SS**  cis98.687.9100000113.6
94G27Very low30.4Very low76 Ų76126 Ų12678%0.78476%0.764SS**  cis153.392.4-5.700000113.2
95E27.5Very low30.5Very low157 Ų157129.3 Ų129.373%0.73477%0.765SS**  trans-137.3155.7168.4-87.3-159.489.500110.8R97E95-R97 IonicContact OE1-CZ 3.73Å; E95-R97 IonicContact OE1-NE 3.73Å; E95-R97 IonicContact OE1-NH2 2.86Å; E95-R97 PolarHBondContact OE1-NH2 2.96Å
96S31.5Very low30.7Very low115 Ų115132.1 Ų132.180%0.80478%0.775SS**  trans-145110.3-175.9-55.90000112.1
97R30.5Very low30.5Very low204 Ų204132.9 Ų132.977%0.7777%0.77SS**  trans-149.4103.9167.7-52.4179.3-148.9-145.43.8105.8E95E95-R97 IonicContact OE1-CZ 3.73Å; E95-R97 IonicContact OE1-NE 3.73Å; E95-R97 IonicContact OE1-NH2 2.86Å; E95-R97 PolarHBondContact OE1-NH2 2.96Å
98S28.9Very low30.4Very low119 Ų119132.7 Ų132.783%0.83277%0.768SS**  67.392.380.9-58.90000112.9
99I29.2Very low29.8Very low177 Ų177134.6 Ų134.691%0.90877%0.771SS**  trans-128.5144.6146.657.9171.3000107.7
100D26.1Very low29.7Very low150 Ų150133.5 Ų133.580%0.80278%0.775SS**  trans-143.4141.2-174.4-166.20.6000109.2
101S28.7Very low29Very low85 Ų85134.5 Ų134.559%0.59478%0.784SS**  trans31.3117.5157.5-610000121.9
102L31.1Very low29.2Very low147 Ų147135.3 Ų135.377%0.7779%0.786SS**  trans71.7159.9137-53.4170.5000116.6
103E29.4Very low28.8Very low153 Ų153132.8 Ų132.872%0.71578%0.783SS**  cis-157.8177.90.5-139.4160-137.900111.5
104S29.4Very low28.8Very low79 Ų79135 Ų13555%0.55279%0.787SS**  trans67.8129.2155.3-66.40000119.3
105F27.6Very low28.8Very low183 Ų183141.1 Ų141.180%0.80380%0.795SS**  cis-144.8147.2-5.5-88.5-65.6000110.5
106S29.9Very low28.8Very low117 Ų117136.7 Ų136.782%0.81879%0.792SS**  trans-135.2110.2162.1-65.10000109.5
107N29.1Very low28.7Very low138 Ų138139.3 Ų139.374%0.73880%0.796SS**  trans-161.2144.1172.9-87-49000105.1
108L29.7Very low28.6Very low151 Ų151137.3 Ų137.379%0.79180%0.801SS**  cis-134.4140.720.7-62.6157.2000110.5
109N30.2Very low28.6Very low163 Ų163138.8 Ų138.887%0.87280%0.799SS**  trans-176.595.3146.9-103.1-21.1000110.8
110S28.4Very low28.7Very low126 Ų126141.9 Ų141.988%0.88180%0.799SS**  trans-168.1108.4165.3-81.20000110.1
111C25.3Very low28.7Very low124 Ų124137.8 Ų137.884%0.83879%0.793SS**PPolyproline II helixtrans-90.1143.4164.5-68.40000109.4
112P30.3Very low28.5Very low125 Ų125142.3 Ų142.381%0.81281%0.81SS**PPolyproline II helixtrans-79130.6179.231-33.4000111.8
113S26.5Very low28.3Very low126 Ų126139.9 Ų139.988%0.88181%0.811SS**PPolyproline II helixtrans-97.5143.3163.5-59.50000110.2
114S28.4Very low28.2Very low119 Ų119140.9 Ų140.983%0.83282%0.82SS**  trans-105.9117.6-170.9-58.40000113.4
115E27.9Very low28Very low205 Ų205141.4 Ų141.496%0.95883%0.829SS**  trans-147.9149.5150.5-66-162169.700107.5
116G26.1Very low28Very low64 Ų64139.8 Ų139.866%0.6683%0.828SS**  cis-179.7-176.6-3.300000110
117L29.8Very low27.9Very low171 Ų171142.8 Ų142.890%0.89583%0.829SS**  trans70.9156180-40176.4000114.3
118D28.5Very low27.7Very low161 Ų161141.4 Ų141.486%0.86183%0.83SS**  cis-123.4-179.49.3-57.9-59.5000114
119D29.9Very low27.6Very low151 Ų151141.5 Ų141.581%0.80783%0.827SS**  trans-101.9124.5-173.4-174.5-10.3000114.1
120R30.6Very low27.5Very low241 Ų241144 Ų14491%0.90983%0.826SS**  trans170.9134.9139.3-100.3166.3169.1163.4-1.1115.3
121G25.1Very low27.5Very low65 Ų65142.1 Ų142.167%0.6782%0.817SS**  trans131.9114.7131.900000120.2
122L26.2Very low27.7Very low180 Ų180142.4 Ų142.494%0.94282%0.82SS**  trans59.2114.4154.3-7487.7000120.6
123A25.3Very low27.5Very low96 Ų96144 Ų14479%0.79382%0.822SS**  trans-69149.916500000114.4
124L27.6Very low27.6Very low174 Ų174141 Ų14191%0.91181%0.811SS**  trans179.1139.4145.5-95.7159.5000106.7
125A26.6Very low27.8Very low89 Ų89141.4 Ų141.474%0.73681%0.809SS**  cis-145.2171.90.400000111.1
126L27.2Very low27.9Very low150 Ų150140.9 Ų140.979%0.78580%0.803SS**  trans-100165.8176.6-74.1166.9000112.1
127Q26.6Very low28.6Very low180 Ų180144.9 Ų144.984%0.84182%0.815SS**  trans73.1153.4167.8-60.8138.329.500115
128S26.5Very low28.6Very low109 Ų109141.8 Ų141.876%0.76281%0.808SS**  cis-140161.313.2-171.20000113.7
129E27.8Very low28.4Very low152 Ų152140 Ų14071%0.7181%0.806SS**  trans-66.1150.7168-50163.4129.800112.3
130Y27.8Very low28.6Very low217 Ų217137.3 Ų137.385%0.85181%0.805SS**  179.4169.3105-112.7-91.5000112.3
131A27.3Very low28.7Very low85 Ų85135.4 Ų135.470%0.70280%0.804SS**  trans-100.5159.7-172.600000114.5
132S29.4Very low29.2Very low130 Ų130139.1 Ų139.191%0.90981%0.808SS**  168.8159.212944.30000114.1
133D27.8Very low29.9Very low159 Ų159142.5 Ų142.585%0.8581%0.808SS**  trans-64.1157.8-175.7-176.722.9000114.8
134G27.2Very low30.5Very low62 Ų62141.9 Ų141.964%0.63980%0.803SS**  trans168.972.5-178.600000116.3K136G134-K136 PolarHBondContact O-N 3.45Å
135T33.2Very low31.3Very low129 Ų129137.7 Ų137.779%0.79179%0.793SS**  trans-23.1115.4174.1-52.50000116.7
136K30.1Very low32.3Very low194 Ų194136.8 Ų136.884%0.84379%0.793SS**  trans-137.1113.5157.4-74.6-173.3179.1175.40111.2G134 S138G134-K136 PolarHBondContact O-N 3.45Å; K136-S138 PolarHBondContact O-N 3.41Å
137T40.9Very low33.9Very low147 Ų147135.2 Ų135.290%0.90278%0.782SS**  trans-69.1110.9161.620.30000109
138S28.6Very low36.4Very low107 Ų107129.4 Ų129.475%0.74876%0.761SS**  trans-120.8139.5165.4570000108.9K136K136-S138 PolarHBondContact O-N 3.41Å
139C25.8Very low39.4Very low122 Ų122127.8 Ų127.882%0.82474%0.743SS**  trans-45147.4-164.7-56.10000115.3K141C139-K141 PolarHBondContact O-N 3.17Å; C139-K141 VanDerWaalsContact O-N 3.16Å
140A33.8Very low42.5Very low95 Ų95120.8 Ų120.879%0.78571%0.71SS**  trans-50.3123.8160.200000108.8
141K31.7Very low45.6Very low202 Ų202113 Ų11388%0.87868%0.681SS**  trans-109112.1165.4-162.6178.2-172.6-175.60104.2C139 R143C139-K141 PolarHBondContact O-N 3.17Å; C139-K141 VanDerWaalsContact O-N 3.16Å; K141-R143 PolarHBondContact O-N 3.3Å; K141-R143 VanDerWaalsContact O-N 3.11Å
142D35.3Very low48.8Very low142 Ų142109.4 Ų109.476%0.75965%0.65SS**  trans-52.2117.4-157.5-71.7-77.2000113.5A144D142-A144 HydrophobicContact CB-CB 4.21Å; D142-A144 PolarHBondContact O-N 3.35Å
143R41.4Very low51.9Low251 Ų251103.5 Ų103.595%0.94761%0.608SS**  trans-87.545.4161.9-127.5-178.9-177.6-169.6-1.8109.5K141 A145K141-R143 PolarHBondContact O-N 3.3Å; K141-R143 VanDerWaalsContact O-N 3.11Å; R143-A145 PolarHBondContact O-N 3.33Å
144A37.5Very low55Low83 Ų8398.6 Ų98.669%0.68658%0.577SS**  trans-69.773.816200000107.9D142 G146D142-A144 HydrophobicContact CB-CB 4.21Å; D142-A144 PolarHBondContact O-N 3.35Å; A144-G146 PolarHBondContact O-N 2.99Å
145A44.3Very low58.2Low86 Ų8695.8 Ų95.871%0.71155%0.548SS*.  trans-57.4122.8155.400000105.8R143 Q147R143-A145 PolarHBondContact O-N 3.33Å; A145-Q147 PolarHBondContact O-N 2.91Å
146G47.3Very low61Low70 Ų7095 Ų9572%0.72253%0.533SS*.  trans-56.9124.6-175.300000109.7A144 S148A144-G146 PolarHBondContact O-N 2.99Å; G146-S148 PolarHBondContact O-N 3.34Å
147Q61.7Low64Low118 Ų11885.9 Ų85.955%0.55149%0.494SS*.  trans-62.8112.9170.1-70.8179.9-4900106.9A145 I149 E200A145-Q147 PolarHBondContact O-N 2.91Å; Q147-I149 HydrophobicContact CB-CD1 4.46Å; Q147-I149 HydrophobicContact CB-CG1 4.4Å; Q147-I149 VanDerWaalsContact O-CG1 3.32Å; Q147-I149 WeakPolarHBondContact O-CG1 3.21Å; Q147-I149 PolarHBondContact O-N 3.22Å; Q147-E200 PolarHBondContact NE2-OE2 3.13Å
148S79.8Confident66.3Low57 Ų5785.7 Ų85.740%0.39948%0.477SS..  trans-64.4111.1174.9-55.50000108.1G146 Y150 T198 A199G146-S148 PolarHBondContact O-N 3.34Å; S148-Y150 WeakPolarHBondContact CB-OH 3.28Å; S148-T198 CarbonylContact O-C 3.56Å; S148-T198 WeakPolarHBondContact O-CA 3.43Å; S148-A199 PolarHBondContact O-N 3.35Å
149I89.1Confident69.2Low76 Ų7688.7 Ų88.739%0.3948%0.479SS..EExtended strand (participates in β ladder)trans-108.8131.1-172.3-77.6159.4000108.4Q147 I196 T198Q147-I149 HydrophobicContact CB-CD1 4.46Å; Q147-I149 HydrophobicContact CB-CG1 4.4Å; Q147-I149 VanDerWaalsContact O-CG1 3.32Å; Q147-I149 WeakPolarHBondContact O-CG1 3.21Å; Q147-I149 PolarHBondContact O-N 3.22Å; I149-I196 HydrophobicContact CG2-CG2 3.37Å; I149-T198 HydrophobicContact CG1-CG2 4.28Å
150Y92.6Very high72.3Confident5 Ų587 Ų872%0.0246%0.459CS..EExtended strand (participates in β ladder)trans-120.4144.4-179.4-49.8-65000110.6S148 I165 P172 L176 I196 I197 A199 L202S148-Y150 WeakPolarHBondContact CB-OH 3.28Å; Y150-I165 VanDerWaalsContact CB-CG2 3.49Å; Y150-I165 HydrophobicContact CG-CG2 4.13Å; Y150-P172 HydrophobicContact CE1-CB 4.26Å; Y150-P172 HydrophobicContact CE1-CG 3.66Å; Y150-P172 VanDerWaalsContact OH-CB 3.25Å; Y150-P172 WeakPolarHBondContact OH-CB 3.48Å; Y150-P172 WeakPolarHBondContact OH-CG 3.39Å; Y150-L176 HydrophobicContact CD1-CD1 4.27Å; Y150-L176 HydrophobicContact CD2-CD2 4.24Å; Y150-L176 HydrophobicContact CE1-CD1 4.37Å; Y150-L176 HydrophobicContact CE2-CD2 4.42Å; Y150-L176 HydrophobicContact CG-CD2 4.29Å; Y150-I196 WeakPolarHBondContact O-CA 3.38Å; Y150-I197 PolarHBondContact N-O 3.16Å; Y150-I197 PolarHBondContact O-N 3.38Å; Y150-A199 HydrophobicContact CE2-CB 3.85Å; Y150-L202 HydrophobicContact CD2-CD1 3.58Å; Y150-L202 HydrophobicContact CE2-CD1 3.82Å
151H92.8Very high75Confident54 Ų5487.2 Ų87.225%0.2545%0.446CS..EExtended strand (participates in β ladder)trans-89.5136.9175-72.6-96.3000110.9T166 E195 Q373 L376H151-T166 WeakPolarHBondContact CB-OG1 3.45Å; H151-T166 PolarHBondContact O-N 2.89Å; H151-T166 PolarHBondContact O-OG1 2.86Å; H151-E195 WeakPolarHBondContact CA-O 3.36Å; H151-Q373 PolarHBondContact CD2-NE2 2.86Å; H151-Q373 PolarHBondContact NE2-NE2 3.37Å; H151-L376 HydrophobicContact CB-CD1 4.08Å; H151-L376 HydrophobicContact CB-CD2 3.71Å
152I94.8Very high78Confident8 Ų877.7 Ų77.74%0.04141%0.405CS..EExtended strand (participates in β ladder)trans-90.6121.2174.2-63.2162.5000108.5W154 P163 I164 I190 M194 E195 I197I152-W154 HydrophobicContact CG2-CG 4.47Å; I152-W154 HydrophobicContact CG2-CZ2 4.48Å; I152-P163 HydrophobicContact CG2-CB 3.44Å; I152-P163 VanDerWaalsContact CG2-CB 3.44Å; I152-I164 WeakPolarHBondContact CA-O 3.34Å; I152-I190 HydrophobicContact CD1-CD1 4.33Å; I152-I190 HydrophobicContact CD1-CG2 3.94Å; I152-M194 WeakPolarHBondContact CB-O 3.49Å; I152-M194 HydrophobicContact CD1-CB 4.04Å; I152-M194 HydrophobicContact CD1-CG 3.92Å; I152-M194 VanDerWaalsContact CD1-O 3.29Å; I152-M194 WeakPolarHBondContact CD1-O 3.12Å; I152-E195 PolarHBondContact N-O 2.93Å; I152-I197 HydrophobicContact CD1-CB 3.98Å; I152-I197 HydrophobicContact CD1-CG2 4.11Å; I152-I197 HydrophobicContact CG1-CB 4.35Å; I152-I197 HydrophobicContact CG1-CG2 3.91Å
153K94.4Very high80.9Confident7 Ų771.5 Ų71.53%0.0337%0.373CS..EExtended strand (participates in β ladder)trans-93.8122.6167.2-174.4176.7-177.7174.60108.6I155 I164 T166 F375 L376 E378 V381K153-I155 HydrophobicContact CD-CG2 4.38Å; K153-I155 HydrophobicContact CG-CG2 4.17Å; K153-I164 HydrophobicContact CB-CG1 3.96Å; K153-I164 HydrophobicContact CD-CD1 4.44Å; K153-I164 PolarHBondContact N-O 3.31Å; K153-I164 WeakPolarHBondContact O-CG1 3.46Å; K153-I164 PolarHBondContact O-N 2.98Å; K153-T166 HydrophobicContact CB-CG2 3.91Å; K153-F375 WeakPolarHBondContact CE-O 3.36Å; K153-F375 PolarHBondContact NZ-O 3.03Å; K153-L376 HydrophobicContact CB-CD1 3.83Å; K153-L376 HydrophobicContact CG-CD1 4.38Å; K153-E378 WeakPolarHBondContact CE-O 3.44Å; K153-E378 PolarHBondContact NZ-O 2.83Å; K153-V381 PolarHBondContact NZ-O 3.44Å
154W93.8Very high83.5Confident55 Ų5559.5 Ų59.521%0.20833%0.328CS..EExtended strand (participates in β ladder)trans-88.1125.8174.6-7286000109.8I152 P163 P191 M194I152-W154 HydrophobicContact CG2-CG 4.47Å; I152-W154 HydrophobicContact CG2-CZ2 4.48Å; W154-P163 HydrophobicContact CD2-CB 4.15Å; W154-P163 HydrophobicContact CE3-CB 4.09Å; W154-P163 HydrophobicContact CE3-CG 4.48Å; W154-P163 HydrophobicContact CH2-CB 3.96Å; W154-P163 HydrophobicContact CH2-CG 3.91Å; W154-P163 HydrophobicContact CZ2-CB 3.99Å; W154-P163 HydrophobicContact CZ2-CG 4.39Å; W154-P163 HydrophobicContact CZ3-CB 4.02Å; W154-P163 HydrophobicContact CZ3-CG 3.98Å; W154-P191 WeakPolarHBondContact CZ2-O 3.33Å; W154-M194 PolarHBondContact NE1-O 3.25Å
155I93.5Very high86.2Confident4 Ų455.6 Ų55.62%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-123.9144.1-179.460.7160.7000110.9K153 W157 N161 T162 I164 L184 V382K153-I155 HydrophobicContact CD-CG2 4.38Å; K153-I155 HydrophobicContact CG-CG2 4.17Å; I155-W157 HydrophobicContact CD1-CB 4.16Å; I155-W157 HydrophobicContact CG1-CB 4.35Å; I155-W157 PolarHBondContact O-N 2.91Å; I155-W157 VanDerWaalsContact O-N 3.11Å; I155-N161 PolarHBondContact O-OD1 3.04Å; I155-T162 VanDerWaalsContact CG1-O 3.27Å; I155-T162 WeakPolarHBondContact CG1-O 3.41Å; I155-T162 PolarHBondContact N-O 3.47Å; I155-T162 PolarHBondContact O-N 3.44Å; I155-I164 HydrophobicContact CD1-CD1 4.3Å; I155-I164 HydrophobicContact CD1-CG2 3.82Å; I155-I164 HydrophobicContact CG1-CG2 4.15Å; I155-I164 HydrophobicContact CG2-CD1 4.09Å; I155-I164 HydrophobicContact CG2-CG1 4.3Å; I155-L184 HydrophobicContact CD1-CD2 3.97Å; I155-V382 HydrophobicContact CB-CG2 4.42Å; I155-V382 HydrophobicContact CD1-CG1 3.58Å; I155-V382 HydrophobicContact CG2-CG1 4.31Å; I155-V382 HydrophobicContact CG2-CG2 3.88Å
156K92.8Very high88.5Confident111 Ų11151.5 Ų51.548%0.48326%0.261SS..EExtended strand (participates in β ladder)trans-76.498.3170-173.1-169.1175.6-154.80109.1S398 E399K156-S398 WeakPolarHBondContact O-CB 3.46Å; K156-S398 PolarHBondContact O-OG 3.46Å; K156-E399 IonicContact NZ-OE1 2.64Å
157W92.9Very high90.5Very high4 Ų448.8 Ų48.82%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-112.4121.8-177.9175.2-118.9000110I155 E159 E160 L184 I360 W383 F400I155-W157 HydrophobicContact CD1-CB 4.16Å; I155-W157 HydrophobicContact CG1-CB 4.35Å; I155-W157 PolarHBondContact O-N 2.91Å; I155-W157 VanDerWaalsContact O-N 3.11Å; W157-E159 PolarHBondContact O-N 3.22Å; W157-E159 VanDerWaalsContact O-N 3.17Å; W157-E160 PolarHBondContact N-O 3.35Å; W157-E160 PolarHBondContact O-N 2.95Å; W157-L184 HydrophobicContact CB-CD2 4.46Å; W157-L184 HydrophobicContact CD2-CD2 3.93Å; W157-L184 HydrophobicContact CG-CD2 3.85Å; W157-L184 PolarHBondContact NE1-O 3.26Å; W157-I360 HydrophobicContact CH2-CD1 3.69Å; W157-I360 HydrophobicContact CZ2-CD1 4.08Å; W157-W383 HydrophobicContact CE3-CZ2 4.49Å; W157-W383 AromaticContact CH2-CZ2 3.74Å; W157-W383 HydrophobicContact CH2-CZ2 3.74Å; W157-W383 HydrophobicContact CZ2-CZ2 4.44Å; W157-W383 AromaticContact CZ3-CE2 3.96Å; W157-W383 AromaticContact CZ3-CZ2 3.78Å; W157-W383 HydrophobicContact CZ3-CZ2 3.78Å; W157-W383 AromaticContact CZ3-NE1 3.58Å; W157-F400 HydrophobicContact CH2-CE2 4.18Å; W157-F400 AromaticContact CH2-CZ 3.92Å; W157-F400 HydrophobicContact CH2-CZ 3.92Å; W157-F400 AromaticContact CZ3-CE2 3.9Å; W157-F400 HydrophobicContact CZ3-CE2 3.9Å; W157-F400 AromaticContact CZ3-CZ 3.82Å; W157-F400 HydrophobicContact CZ3-CZ 3.82Å
158R89.5Confident91.3Very high143 Ų14347.2 Ų47.254%0.5423%0.225SC..THydrogen-bonded Turntrans49.542.1-178.5-59.8173176.8-104.54.2112.8E160 W186R158-E160 VanDerWaalsContact C-N 3.26Å; R158-E160 PolarHBondContact O-N 2.86Å; R158-W186 HydrophobicContact CB-CH2 3.7Å; R158-W186 HydrophobicContact CB-CZ2 3.92Å; R158-W186 HydrophobicContact CG-CH2 4.48Å
159E88.2Confident91.1Very high169 Ų16951 Ų5179%0.7924%0.236SC*.THydrogen-bonded Turntrans72.1-14.1-175.5-51.1-173.316800117.3W157W157-E159 PolarHBondContact O-N 3.22Å; W157-E159 VanDerWaalsContact O-N 3.17Å
160E90.7Very high90Very high88 Ų8854.9 Ų54.941%0.41126%0.258SS..EExtended strand (participates in β ladder)trans-93.3143.5174.5-167.9169.2154.900111.4W157 R158 T162 W186 K189W157-E160 PolarHBondContact N-O 3.35Å; W157-E160 PolarHBondContact O-N 2.95Å; R158-E160 VanDerWaalsContact C-N 3.26Å; R158-E160 PolarHBondContact O-N 2.86Å; E160-T162 PolarHBondContact O-N 3.48Å; E160-T162 PolarHBondContact O-OG1 3.31Å; E160-W186 HydrophobicContact CB-CZ2 3.95Å; E160-K189 IonicContact OE1-NZ 2.63Å; E160-K189 PolarHBondContact OE1-NZ 3.12Å
161N91.6Very high88.8Confident98 Ų9855.6 Ų55.652%0.52427%0.267SS..EExtended strand (participates in β ladder)trans-76.2108.5174.9-169.230.3000109.6I155I155-N161 PolarHBondContact O-OD1 3.04Å
162T94.6Very high88Confident2 Ų253.5 Ų53.51%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-116.6132.9-170.5-56.10000109.6I155 E160 L183 L184 W186I155-T162 VanDerWaalsContact CG1-O 3.27Å; I155-T162 WeakPolarHBondContact CG1-O 3.41Å; I155-T162 PolarHBondContact N-O 3.47Å; I155-T162 PolarHBondContact O-N 3.44Å; E160-T162 PolarHBondContact O-N 3.48Å; E160-T162 PolarHBondContact O-OG1 3.31Å; T162-L183 WeakPolarHBondContact CG2-O 3.07Å; T162-L184 HydrophobicContact CG2-CD2 4.39Å; T162-W186 PolarHBondContact OG1-NE1 3.39Å
163P95.5Very high87.5Confident12 Ų1253.5 Ų53.58%0.07826%0.259CS..EExtended strand (participates in β ladder)trans-78.8141.2176.331.3-30.7000110.6I152 W154 L183 I190I152-P163 HydrophobicContact CG2-CB 3.44Å; I152-P163 VanDerWaalsContact CG2-CB 3.44Å; W154-P163 HydrophobicContact CD2-CB 4.15Å; W154-P163 HydrophobicContact CE3-CB 4.09Å; W154-P163 HydrophobicContact CE3-CG 4.48Å; W154-P163 HydrophobicContact CH2-CB 3.96Å; W154-P163 HydrophobicContact CH2-CG 3.91Å; W154-P163 HydrophobicContact CZ2-CB 3.99Å; W154-P163 HydrophobicContact CZ2-CG 4.39Å; W154-P163 HydrophobicContact CZ3-CB 4.02Å; W154-P163 HydrophobicContact CZ3-CG 3.98Å; P163-L183 HydrophobicContact CG-CD1 4.48Å; P163-L183 HydrophobicContact CG-CD2 4.24Å; P163-L183 WeakPolarHBondContact O-CB 3.31Å; P163-I190 HydrophobicContact CB-CD1 4.5Å; P163-I190 HydrophobicContact CG-CB 4.14Å; P163-I190 HydrophobicContact CG-CD1 4.31Å
164I95.5Very high87.3Confident0 Ų053.2 Ų53.20%026%0.258CS..EExtended strand (participates in β ladder)trans-123.2148160.364.1173.5000108.8I152 K153 I155 N180 L184 L369I152-I164 WeakPolarHBondContact CA-O 3.34Å; K153-I164 HydrophobicContact CB-CG1 3.96Å; K153-I164 HydrophobicContact CD-CD1 4.44Å; K153-I164 PolarHBondContact N-O 3.31Å; K153-I164 WeakPolarHBondContact O-CG1 3.46Å; K153-I164 PolarHBondContact O-N 2.98Å; I155-I164 HydrophobicContact CD1-CD1 4.3Å; I155-I164 HydrophobicContact CD1-CG2 3.82Å; I155-I164 HydrophobicContact CG1-CG2 4.15Å; I155-I164 HydrophobicContact CG2-CD1 4.09Å; I155-I164 HydrophobicContact CG2-CG1 4.3Å; I164-N180 WeakPolarHBondContact CA-OD1 3.19Å; I164-L184 HydrophobicContact CG2-CD1 4.5Å; I164-L184 HydrophobicContact CG2-CD2 3.85Å; I164-L184 HydrophobicContact CG2-CG 4.14Å; I164-L369 HydrophobicContact CB-CD2 4.28Å; I164-L369 HydrophobicContact CD1-CD1 3.94Å; I164-L369 HydrophobicContact CD1-CD2 4.26Å; I164-L369 HydrophobicContact CD1-CG 4.17Å; I164-L369 HydrophobicContact CG2-CD1 4.46Å; I164-L369 HydrophobicContact CG2-CD2 4.12Å
165I94.9Very high87.3Confident0 Ų050.6 Ų50.60%025%0.248CC..EExtended strand (participates in β ladder)trans-95.7132.5-177.7-49.4147000108.5Y150 L176 M179 N180 L183 I197 L202Y150-I165 VanDerWaalsContact CB-CG2 3.49Å; Y150-I165 HydrophobicContact CG-CG2 4.13Å; I165-L176 HydrophobicContact CB-CD2 4.09Å; I165-L176 HydrophobicContact CD1-CD2 4.42Å; I165-L176 HydrophobicContact CG2-CD2 3.55Å; I165-M179 HydrophobicContact CD1-CB 3.55Å; I165-M179 HydrophobicContact CD1-CG 4.42Å; I165-N180 PolarHBondContact N-OD1 3.31Å; I165-N180 PolarHBondContact O-ND2 3.42Å; I165-L183 HydrophobicContact CD1-CD1 3.78Å; I165-L183 HydrophobicContact CG1-CD1 3.95Å; I165-I197 HydrophobicContact CG2-CG2 4.2Å; I165-L202 HydrophobicContact CD1-CD1 4.14Å; I165-L202 HydrophobicContact CD1-CD2 3.41Å; I165-L202 VanDerWaalsContact CD1-CD2 3.41Å; I165-L202 HydrophobicContact CD1-CG 4.45Å; I165-L202 HydrophobicContact CG1-CD2 4.27Å; I165-L202 HydrophobicContact CG2-CD1 4.45Å
166T93.6Very high87.3Confident1 Ų150.5 Ų50.51%0.00625%0.247CC..  trans-96.9159.7177.659.90000112.2H151 K153 T371 L376H151-T166 WeakPolarHBondContact CB-OG1 3.45Å; H151-T166 PolarHBondContact O-N 2.89Å; H151-T166 PolarHBondContact O-OG1 2.86Å; K153-T166 HydrophobicContact CB-CG2 3.91Å; T166-T371 CarbonylContact C-O 3.53Å; T166-T371 WeakPolarHBondContact CA-O 3.49Å; T166-T371 VanDerWaalsContact CB-O 3.27Å; T166-T371 WeakPolarHBondContact CB-O 3.31Å; T166-L376 HydrophobicContact CG2-CD1 4.33Å
167Q89.2Confident87.3Confident13 Ų1345.3 Ų45.36%0.06123%0.226CC..BIsolated β-bridgetrans-122.1141.7-175.6-169.1177.2-37.500110E169 C173 L176 T371 Q373Q167-E169 VanDerWaalsContact CG-O 3.27Å; Q167-E169 WeakPolarHBondContact CG-O 3.45Å; Q167-E169 PolarHBondContact NE2-O 3.39Å; Q167-C173 VanDerWaalsContact OE1-CB 3.24Å; Q167-L176 HydrophobicContact CB-CD1 3.61Å; Q167-L176 HydrophobicContact CG-CD1 3.75Å; Q167-T371 PolarHBondContact N-O 2.66Å; Q167-Q373 WeakPolarHBondContact O-CB 3.49Å; Q167-Q373 PolarHBondContact O-N 3.5Å
168N78.5Confident87.4Confident85 Ų8545.1 Ų45.146%0.45523%0.225SC..  trans-121.6-31.5-177.457.2-16.7000113.1
169E74Confident87.7Confident135 Ų13538.3 Ų38.363%0.63120%0.199SC*.SBendtrans-123.9154.8-178.7-64.1-176170.400111.3Q167 G171Q167-E169 VanDerWaalsContact CG-O 3.27Å; Q167-E169 WeakPolarHBondContact CG-O 3.45Å; Q167-E169 PolarHBondContact NE2-O 3.39Å; E169-G171 PolarHBondContact O-N 3.47Å
170N67.6Low88.1Confident158 Ų15830.3 Ų30.385%0.84516%0.162SC*.SBendtrans-81.6115.1177-74.5-37.3000110.7
171G65.9Low88.4Confident21 Ų2126.3 Ų26.322%0.21614%0.143CC..SBendtrans166.6-67179.800000113.4E169 C173 P174 Q241E169-G171 PolarHBondContact O-N 3.47Å; G171-C173 PolarHBondContact O-N 3.27Å; G171-C173 VanDerWaalsContact O-N 3.1Å; G171-P174 VanDerWaalsContact O-CD 3.27Å; G171-P174 WeakPolarHBondContact O-CD 3.24Å; G171-Q241 CarbonylContact C-O 3.5Å
172P76.4Confident88.5Confident9 Ų921.7 Ų21.76%0.05812%0.118CC..  trans-78.48.5-170.232.1-37.4000115Y150 P174 L175 L176 Q241Y150-P172 HydrophobicContact CE1-CB 4.26Å; Y150-P172 HydrophobicContact CE1-CG 3.66Å; Y150-P172 VanDerWaalsContact OH-CB 3.25Å; Y150-P172 WeakPolarHBondContact OH-CB 3.48Å; Y150-P172 WeakPolarHBondContact OH-CG 3.39Å; P172-P174 VanDerWaalsContact C-N 3.27Å; P172-P174 WeakPolarHBondContact O-CD 3.32Å; P172-P174 VanDerWaalsContact O-N 3.12Å; P172-L175 PolarHBondContact O-N 2.85Å; P172-L175 VanDerWaalsContact O-N 3.07Å; P172-L176 HydrophobicContact CB-CG 4.41Å; P172-L176 HydrophobicContact CG-CD1 4.21Å; P172-L176 WeakPolarHBondContact O-CG 3.47Å; P172-L176 PolarHBondContact O-N 3Å; P172-Q241 WeakPolarHBondContact CA-O 3.44Å
173C84.5Confident88.6Confident8 Ų821.6 Ų21.65%0.05412%0.118CC..Hα-helixtrans-50.8-31.8179.466.70000115.7Q167 G171 L176 A177 H355 F356Q167-C173 VanDerWaalsContact OE1-CB 3.24Å; G171-C173 PolarHBondContact O-N 3.27Å; G171-C173 VanDerWaalsContact O-N 3.1Å; C173-L176 PolarHBondContact O-N 2.99Å; C173-A177 WeakPolarHBondContact O-CB 3.34Å; C173-A177 PolarHBondContact O-N 3.49Å; C173-H355 VanDerWaalsContact CB-NE2 3.33Å; C173-H355 WeakPolarHBondContact CB-NE2 3.38Å; C173-F356 HydrophobicContact CB-CB 4.5Å; C173-F356 PolarHBondContact SG-N 3.09Å
174P91Very high88.5Confident1 Ų121.2 Ų21.21%0.00612%0.115CC..Hα-helixtrans-65.4-46.9175.3-16.831.3000112.1G171 P172 I178 L240 L244 F356G171-P174 VanDerWaalsContact O-CD 3.27Å; G171-P174 WeakPolarHBondContact O-CD 3.24Å; P172-P174 VanDerWaalsContact C-N 3.27Å; P172-P174 WeakPolarHBondContact O-CD 3.32Å; P172-P174 VanDerWaalsContact O-N 3.12Å; P174-I178 WeakPolarHBondContact O-CB 3.36Å; P174-I178 WeakPolarHBondContact O-CD1 3.46Å; P174-I178 VanDerWaalsContact O-CG1 3.3Å; P174-I178 WeakPolarHBondContact O-CG1 3.28Å; P174-I178 PolarHBondContact O-N 2.89Å; P174-I178 VanDerWaalsContact O-N 3.1Å; P174-L240 HydrophobicContact CB-CD2 3.97Å; P174-L244 HydrophobicContact CB-CB 3.7Å; P174-L244 HydrophobicContact CB-CD2 3.8Å; P174-L244 HydrophobicContact CB-CG 4.39Å; P174-L244 HydrophobicContact CG-CB 3.37Å; P174-L244 HydrophobicContact CG-CD2 4.32Å; P174-L244 HydrophobicContact CG-CG 4.47Å; P174-F356 HydrophobicContact CB-CD2 4.25Å; P174-F356 HydrophobicContact CB-CG 4.41Å; P174-F356 HydrophobicContact CG-CD2 3.76Å; P174-F356 HydrophobicContact CG-CE2 4.04Å; P174-F356 HydrophobicContact CG-CG 4.37Å
175L92.1Very high88.5Confident0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-62.1-46176178.161.3000110.8P172 I178 M179 L202 M203 L206 L240 Q241P172-L175 PolarHBondContact O-N 2.85Å; P172-L175 VanDerWaalsContact O-N 3.07Å; L175-I178 PolarHBondContact O-N 3.25Å; L175-M179 HydrophobicContact CD1-CG 3.94Å; L175-M179 HydrophobicContact CG-CG 4.38Å; L175-M179 WeakPolarHBondContact O-CB 3.47Å; L175-M179 VanDerWaalsContact O-CG 3.26Å; L175-M179 WeakPolarHBondContact O-CG 3.47Å; L175-M179 PolarHBondContact O-N 2.83Å; L175-L202 HydrophobicContact CD1-CB 4.45Å; L175-L202 HydrophobicContact CD2-CB 4Å; L175-L202 HydrophobicContact CD2-CD1 4.25Å; L175-L202 HydrophobicContact CG-CB 4.36Å; L175-L202 HydrophobicContact CG-CD1 4.49Å; L175-M203 HydrophobicContact CD1-SD 3.83Å; L175-M203 HydrophobicContact CD2-SD 3.68Å; L175-M203 HydrophobicContact CG-SD 4.4Å; L175-L206 HydrophobicContact CD1-CD2 3.67Å; L175-L240 HydrophobicContact CB-CB 3.96Å; L175-L240 WeakPolarHBondContact CB-O 3.43Å; L175-L240 PolarHBondContact N-O 3Å; L175-Q241 HydrophobicContact CD2-CG 3.86Å
176L93.6Very high88.4Confident2 Ų227.6 Ų27.61%0.0115%0.149CC..Hα-helixtrans-66.6-40.7-178.2-61.7-175.7000112.1Y150 I165 Q167 P172 C173 M179 N180 L202Y150-L176 HydrophobicContact CD1-CD1 4.27Å; Y150-L176 HydrophobicContact CD2-CD2 4.24Å; Y150-L176 HydrophobicContact CE1-CD1 4.37Å; Y150-L176 HydrophobicContact CE2-CD2 4.42Å; Y150-L176 HydrophobicContact CG-CD2 4.29Å; I165-L176 HydrophobicContact CB-CD2 4.09Å; I165-L176 HydrophobicContact CD1-CD2 4.42Å; I165-L176 HydrophobicContact CG2-CD2 3.55Å; Q167-L176 HydrophobicContact CB-CD1 3.61Å; Q167-L176 HydrophobicContact CG-CD1 3.75Å; P172-L176 HydrophobicContact CB-CG 4.41Å; P172-L176 HydrophobicContact CG-CD1 4.21Å; P172-L176 WeakPolarHBondContact O-CG 3.47Å; P172-L176 PolarHBondContact O-N 3Å; C173-L176 PolarHBondContact O-N 2.99Å; L176-M179 PolarHBondContact O-N 3.29Å; L176-N180 VanDerWaalsContact O-CB 3.24Å; L176-N180 WeakPolarHBondContact O-CB 3.42Å; L176-N180 VanDerWaalsContact O-CG 3.26Å; L176-N180 PolarHBondContact O-N 3.45Å; L176-N180 PolarHBondContact O-ND2 2.9Å; L176-L202 HydrophobicContact CD2-CD1 3.67Å
177A94.5Very high88.3Confident3 Ų331.5 Ų31.53%0.02517%0.165CC..Hα-helixtrans-65.4-40.3176.500000112.6C173 V181 V349 F356 T358C173-A177 WeakPolarHBondContact O-CB 3.34Å; C173-A177 PolarHBondContact O-N 3.49Å; A177-V181 WeakPolarHBondContact O-CG2 3.45Å; A177-V181 PolarHBondContact O-N 3.31Å; A177-V181 VanDerWaalsContact O-N 3.15Å; A177-V349 HydrophobicContact CB-CG1 3.92Å; A177-V349 HydrophobicContact CB-CG2 4.05Å; A177-F356 HydrophobicContact CB-CB 4.09Å; A177-T358 WeakPolarHBondContact CA-OG1 3.49Å; A177-T358 PolarHBondContact O-OG1 3.04Å
178I94.6Very high88.4Confident0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-63.3-52.1173.3-73.7167.6000110.7P174 L175 N180 V181 L182 L206 L240 V264 F265 L268 I270P174-I178 WeakPolarHBondContact O-CB 3.36Å; P174-I178 WeakPolarHBondContact O-CD1 3.46Å; P174-I178 VanDerWaalsContact O-CG1 3.3Å; P174-I178 WeakPolarHBondContact O-CG1 3.28Å; P174-I178 PolarHBondContact O-N 2.89Å; P174-I178 VanDerWaalsContact O-N 3.1Å; L175-I178 PolarHBondContact O-N 3.25Å; I178-N180 VanDerWaalsContact C-N 3.34Å; I178-N180 PolarHBondContact O-N 3.45Å; I178-V181 WeakPolarHBondContact O-CB 3.33Å; I178-V181 PolarHBondContact O-N 2.95Å; I178-V181 VanDerWaalsContact O-N 3.16Å; I178-L182 HydrophobicContact CG2-CD1 4.16Å; I178-L182 WeakPolarHBondContact O-CG 3.42Å; I178-L182 PolarHBondContact O-N 2.85Å; I178-L206 HydrophobicContact CG2-CD1 3.88Å; I178-L206 HydrophobicContact CG2-CD2 4.35Å; I178-L240 HydrophobicContact CD1-CD1 4.22Å; I178-L240 HydrophobicContact CD1-CD2 4.31Å; I178-V264 HydrophobicContact CD1-CG1 4.08Å; I178-F265 HydrophobicContact CD1-CE1 3.91Å; I178-F265 HydrophobicContact CD1-CE2 4.3Å; I178-F265 HydrophobicContact CD1-CZ 3.8Å; I178-F265 HydrophobicContact CG1-CD1 4.41Å; I178-F265 HydrophobicContact CG1-CE1 3.82Å; I178-F265 HydrophobicContact CG1-CZ 4.19Å; I178-L268 HydrophobicContact CG2-CD1 3.51Å; I178-I270 HydrophobicContact CG2-CD1 4.1Å
179M95.1Very high88.9Confident0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-63.3-40.3-177.4-70.9-59.7-72.400111.5I165 L175 L176 V181 L182 L183 V188 L202 L206I165-M179 HydrophobicContact CD1-CB 3.55Å; I165-M179 HydrophobicContact CD1-CG 4.42Å; L175-M179 HydrophobicContact CD1-CG 3.94Å; L175-M179 HydrophobicContact CG-CG 4.38Å; L175-M179 WeakPolarHBondContact O-CB 3.47Å; L175-M179 VanDerWaalsContact O-CG 3.26Å; L175-M179 WeakPolarHBondContact O-CG 3.47Å; L175-M179 PolarHBondContact O-N 2.83Å; L176-M179 PolarHBondContact O-N 3.29Å; M179-V181 PolarHBondContact O-N 3.38Å; M179-L182 PolarHBondContact O-N 3.4Å; M179-L182 VanDerWaalsContact O-N 3.11Å; M179-L182 HydrophobicContact SD-CD1 4.16Å; M179-L183 VanDerWaalsContact O-CG 3.25Å; M179-L183 WeakPolarHBondContact O-CG 3.33Å; M179-L183 PolarHBondContact O-N 3.1Å; M179-V188 HydrophobicContact CE-CG1 4.23Å; M179-L202 HydrophobicContact CE-CD2 3.94Å; M179-L202 HydrophobicContact CG-CD2 4.31Å; M179-L206 HydrophobicContact SD-CB 3.85Å; M179-L206 HydrophobicContact SD-CD1 4.14Å; M179-L206 HydrophobicContact SD-CG 4.41Å
180N96.1Very high89.7Confident0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-64.5-35.3175.5-76-27.4000112.8I164 I165 L176 I178 L184 T358 L369 T371I164-N180 WeakPolarHBondContact CA-OD1 3.19Å; I165-N180 PolarHBondContact N-OD1 3.31Å; I165-N180 PolarHBondContact O-ND2 3.42Å; L176-N180 VanDerWaalsContact O-CB 3.24Å; L176-N180 WeakPolarHBondContact O-CB 3.42Å; L176-N180 VanDerWaalsContact O-CG 3.26Å; L176-N180 PolarHBondContact O-N 3.45Å; L176-N180 PolarHBondContact O-ND2 2.9Å; I178-N180 VanDerWaalsContact C-N 3.34Å; I178-N180 PolarHBondContact O-N 3.45Å; N180-L184 VanDerWaalsContact O-CB 3.27Å; N180-L184 WeakPolarHBondContact O-CB 3.28Å; N180-L184 WeakPolarHBondContact O-CD1 3.23Å; N180-L184 WeakPolarHBondContact O-CG 3.31Å; N180-L184 PolarHBondContact O-N 3.38Å; N180-T358 WeakPolarHBondContact CB-OG1 3.3Å; N180-L369 HydrophobicContact CB-CD2 3.67Å; N180-T371 WeakPolarHBondContact ND2-CG2 3.43Å
181V96.5Very high90.8Very high5 Ų522.9 Ų22.93%0.0312%0.122CC..Hα-helixtrans-61.1-45.9168.8167.40000111.2A177 I178 M179 A185 I270 L347 V349 T358A177-V181 WeakPolarHBondContact O-CG2 3.45Å; A177-V181 PolarHBondContact O-N 3.31Å; A177-V181 VanDerWaalsContact O-N 3.15Å; I178-V181 WeakPolarHBondContact O-CB 3.33Å; I178-V181 PolarHBondContact O-N 2.95Å; I178-V181 VanDerWaalsContact O-N 3.16Å; M179-V181 PolarHBondContact O-N 3.38Å; V181-A185 WeakPolarHBondContact O-CB 3.3Å; V181-A185 PolarHBondContact O-N 2.9Å; V181-I270 HydrophobicContact CB-CD1 4.23Å; V181-I270 HydrophobicContact CG1-CD1 3.85Å; V181-I270 HydrophobicContact CG1-CG1 3.91Å; V181-I270 HydrophobicContact CG1-CG2 4.15Å; V181-I270 HydrophobicContact CG2-CG2 4.45Å; V181-L347 HydrophobicContact CG1-CB 4.11Å; V181-L347 HydrophobicContact CG2-CB 4.49Å; V181-V349 HydrophobicContact CG2-CG2 4.07Å; V181-T358 HydrophobicContact CG2-CG2 3.64Å
182L95Very high91.7Very high0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-66.5-36.9-179.2-64.8176.5000113.1I178 M179 W186 K187 V188 L206 Y209 L268 I270I178-L182 HydrophobicContact CG2-CD1 4.16Å; I178-L182 WeakPolarHBondContact O-CG 3.42Å; I178-L182 PolarHBondContact O-N 2.85Å; M179-L182 PolarHBondContact O-N 3.4Å; M179-L182 VanDerWaalsContact O-N 3.11Å; M179-L182 HydrophobicContact SD-CD1 4.16Å; L182-W186 PolarHBondContact O-N 3.27Å; L182-K187 HydrophobicContact CB-CB 4.37Å; L182-K187 HydrophobicContact CD2-CB 4.02Å; L182-K187 HydrophobicContact CD2-CD 3.55Å; L182-K187 HydrophobicContact CD2-CG 4.43Å; L182-K187 WeakPolarHBondContact O-CB 3.18Å; L182-K187 PolarHBondContact O-N 3.47Å; L182-V188 HydrophobicContact CB-CB 4.25Å; L182-V188 HydrophobicContact CB-CG2 3.92Å; L182-V188 HydrophobicContact CD1-CG2 4.11Å; L182-V188 PolarHBondContact O-N 3.11Å; L182-L206 HydrophobicContact CD1-CD1 3.67Å; L182-Y209 HydrophobicContact CD1-CD1 3.99Å; L182-Y209 HydrophobicContact CD1-CE1 4.39Å; L182-Y209 HydrophobicContact CD2-CD1 4Å; L182-Y209 HydrophobicContact CD2-CE1 3.57Å; L182-L268 HydrophobicContact CD1-CD2 4.41Å; L182-I270 HydrophobicContact CD2-CD1 4.04Å; L182-I270 HydrophobicContact CG-CD1 4.22Å
183L95.4Very high92Very high1 Ų135.1 Ų35.11%0.00518%0.184CC..Hα-helixtrans-71.6-45.2176.7-65.4171.8000111.7T162 P163 I165 M179 A185 W186 V188 I190T162-L183 WeakPolarHBondContact CG2-O 3.07Å; P163-L183 HydrophobicContact CG-CD1 4.48Å; P163-L183 HydrophobicContact CG-CD2 4.24Å; P163-L183 WeakPolarHBondContact O-CB 3.31Å; I165-L183 HydrophobicContact CD1-CD1 3.78Å; I165-L183 HydrophobicContact CG1-CD1 3.95Å; M179-L183 VanDerWaalsContact O-CG 3.25Å; M179-L183 WeakPolarHBondContact O-CG 3.33Å; M179-L183 PolarHBondContact O-N 3.1Å; L183-A185 VanDerWaalsContact C-N 3.26Å; L183-A185 PolarHBondContact O-N 3.09Å; L183-W186 WeakPolarHBondContact O-CA 3.41Å; L183-W186 PolarHBondContact O-N 2.92Å; L183-V188 HydrophobicContact CD2-CB 4.07Å; L183-V188 HydrophobicContact CD2-CG1 3.86Å; L183-I190 HydrophobicContact CD1-CD1 3.85Å; L183-I190 HydrophobicContact CD2-CD1 3.9Å; L183-I190 HydrophobicContact CD2-CG1 3.95Å
184L95.1Very high92.3Very high3 Ų337.2 Ų37.22%0.01619%0.194CC..Hα-helixtrans-68.8-22.4176.8-68.6171.6000113.4I155 W157 T162 I164 N180 W186 L347 T358 L369 W383I155-L184 HydrophobicContact CD1-CD2 3.97Å; W157-L184 HydrophobicContact CB-CD2 4.46Å; W157-L184 HydrophobicContact CD2-CD2 3.93Å; W157-L184 HydrophobicContact CG-CD2 3.85Å; W157-L184 PolarHBondContact NE1-O 3.26Å; T162-L184 HydrophobicContact CG2-CD2 4.39Å; I164-L184 HydrophobicContact CG2-CD1 4.5Å; I164-L184 HydrophobicContact CG2-CD2 3.85Å; I164-L184 HydrophobicContact CG2-CG 4.14Å; N180-L184 VanDerWaalsContact O-CB 3.27Å; N180-L184 WeakPolarHBondContact O-CB 3.28Å; N180-L184 WeakPolarHBondContact O-CD1 3.23Å; N180-L184 WeakPolarHBondContact O-CG 3.31Å; N180-L184 PolarHBondContact O-N 3.38Å; L184-W186 VanDerWaalsContact C-N 3.33Å; L184-L347 HydrophobicContact CB-CD1 3.66Å; L184-L347 HydrophobicContact CB-CD2 4.12Å; L184-L347 HydrophobicContact CD1-CD2 3.99Å; L184-T358 HydrophobicContact CD1-CG2 4.1Å; L184-L369 HydrophobicContact CD1-CD1 4.1Å; L184-L369 HydrophobicContact CD1-CD2 4.04Å; L184-W383 HydrophobicContact CD1-CH2 3.85Å; L184-W383 HydrophobicContact CD1-CZ2 4.05Å
185A93.9Very high92.3Very high43 Ų4343.9 Ų43.936%0.35523%0.225SC..THydrogen-bonded Turntrans-87-0.9169.500000113.3V181 L183 K187 L347V181-A185 WeakPolarHBondContact O-CB 3.3Å; V181-A185 PolarHBondContact O-N 2.9Å; L183-A185 VanDerWaalsContact C-N 3.26Å; L183-A185 PolarHBondContact O-N 3.09Å; A185-K187 HydrophobicContact CB-CD 4.07Å; A185-K187 HydrophobicContact CB-CG 4.03Å; A185-K187 PolarHBondContact O-N 2.86Å; A185-K187 VanDerWaalsContact O-N 3.08Å; A185-L347 HydrophobicContact CB-CD1 4.19Å
186W93.4Very high92.3Very high92 Ų9247.6 Ų47.635%0.34824%0.244SC..THydrogen-bonded Turntrans53.521.8-173.2-53.3-45.7000114.7R158 E160 T162 L182 L183 L184R158-W186 HydrophobicContact CB-CH2 3.7Å; R158-W186 HydrophobicContact CB-CZ2 3.92Å; R158-W186 HydrophobicContact CG-CH2 4.48Å; E160-W186 HydrophobicContact CB-CZ2 3.95Å; T162-W186 PolarHBondContact OG1-NE1 3.39Å; L182-W186 PolarHBondContact O-N 3.27Å; L183-W186 WeakPolarHBondContact O-CA 3.41Å; L183-W186 PolarHBondContact O-N 2.92Å; L184-W186 VanDerWaalsContact C-N 3.33Å
187K91.1Very high92.3Very high82 Ų8247.6 Ų47.636%0.35724%0.244SC..SBendtrans-69.6-35.8174.4-78.6173.3161.4-1680111.1L182 A185 Y209 L268L182-K187 HydrophobicContact CB-CB 4.37Å; L182-K187 HydrophobicContact CD2-CB 4.02Å; L182-K187 HydrophobicContact CD2-CD 3.55Å; L182-K187 HydrophobicContact CD2-CG 4.43Å; L182-K187 WeakPolarHBondContact O-CB 3.18Å; L182-K187 PolarHBondContact O-N 3.47Å; A185-K187 HydrophobicContact CB-CD 4.07Å; A185-K187 HydrophobicContact CB-CG 4.03Å; A185-K187 PolarHBondContact O-N 2.86Å; A185-K187 VanDerWaalsContact O-N 3.08Å; K187-Y209 HydrophobicContact CB-CD2 4.37Å; K187-Y209 HydrophobicContact CB-CE2 3.72Å; K187-Y209 HydrophobicContact CD-CE2 4.27Å; K187-Y209 WeakPolarHBondContact CD-OH 3.39Å; K187-Y209 WeakPolarHBondContact CE-OH 3.44Å; K187-Y209 HydrophobicContact CG-CE2 4.1Å; K187-Y209 PolarHBondContact NZ-OH 2.85Å; K187-L268 PolarHBondContact NZ-O 3.4Å
188V92.2Very high92.1Very high11 Ų1148.5 Ų48.57%0.06725%0.249CC..SBendtrans-116.1148172.3173.10000108.7M179 L182 L183 Y205 Y209M179-V188 HydrophobicContact CE-CG1 4.23Å; L182-V188 HydrophobicContact CB-CB 4.25Å; L182-V188 HydrophobicContact CB-CG2 3.92Å; L182-V188 HydrophobicContact CD1-CG2 4.11Å; L182-V188 PolarHBondContact O-N 3.11Å; L183-V188 HydrophobicContact CD2-CB 4.07Å; L183-V188 HydrophobicContact CD2-CG1 3.86Å; V188-Y205 HydrophobicContact CG1-CD1 4.46Å; V188-Y205 HydrophobicContact CG1-CG 4.31Å; V188-Y209 HydrophobicContact CG2-CD2 4.31Å; V188-Y209 HydrophobicContact CG2-CG 4.22Å
189K89.6Confident91.9Very high124 Ų12448.6 Ų48.654%0.53925%0.25SS..  trans-133.5121.1176.3-64-159172.8-143.30111.5E160E160-K189 IonicContact OE1-NZ 2.63Å; E160-K189 PolarHBondContact OE1-NZ 3.12Å
190I90.8Very high91.6Very high12 Ų1254.5 Ų54.56%0.06228%0.278CS..PPolyproline II helixtrans-88.7144.4172.4-62168.6000108.7I152 P163 L183 M194 I197 Y205I152-I190 HydrophobicContact CD1-CD1 4.33Å; I152-I190 HydrophobicContact CD1-CG2 3.94Å; P163-I190 HydrophobicContact CB-CD1 4.5Å; P163-I190 HydrophobicContact CG-CB 4.14Å; P163-I190 HydrophobicContact CG-CD1 4.31Å; L183-I190 HydrophobicContact CD1-CD1 3.85Å; L183-I190 HydrophobicContact CD2-CD1 3.9Å; L183-I190 HydrophobicContact CD2-CG1 3.95Å; I190-M194 HydrophobicContact CG2-CB 3.92Å; I190-M194 HydrophobicContact CG2-CG 4.25Å; I190-M194 HydrophobicContact CG2-SD 4.01Å; I190-I197 HydrophobicContact CD1-CD1 3.87Å; I190-I197 HydrophobicContact CG1-CD1 4.3Å; I190-Y205 HydrophobicContact CG1-CE2 4.38Å
191P89.3Confident91.3Very high64 Ų6457.4 Ų57.442%0.41629%0.291SS..PPolyproline II helixtrans-55.9142.7176.8-27.236.2000113.5W154 M194W154-P191 WeakPolarHBondContact CZ2-O 3.33Å; P191-M194 WeakPolarHBondContact O-CB 3.44Å; P191-M194 PolarHBondContact O-N 3.39Å
192P85.4Confident91.1Very high106 Ų10657.1 Ų57.169%0.68829%0.29SS*.THydrogen-bonded Turntrans-63.3152.5174.928.9-35.5000111.1M194P192-M194 PolarHBondContact O-N 3.14Å
193M83.2Confident90.8Very high180 Ų18058.5 Ų58.589%0.88730%0.296SS*.THydrogen-bonded Turntrans688.9-174.5-47.7175.7178.700115E195M193-E195 PolarHBondContact O-N 2.89Å
194M90.3Very high90.6Very high53 Ų5364.3 Ų64.326%0.26132%0.324SS..  trans-82.2114.8171.3-158.9153.2-160.500110.1I152 W154 I190 P191 P192 I196I152-M194 WeakPolarHBondContact CB-O 3.49Å; I152-M194 HydrophobicContact CD1-CB 4.04Å; I152-M194 HydrophobicContact CD1-CG 3.92Å; I152-M194 VanDerWaalsContact CD1-O 3.29Å; I152-M194 WeakPolarHBondContact CD1-O 3.12Å; W154-M194 PolarHBondContact NE1-O 3.25Å; I190-M194 HydrophobicContact CG2-CB 3.92Å; I190-M194 HydrophobicContact CG2-CG 4.25Å; I190-M194 HydrophobicContact CG2-SD 4.01Å; P191-M194 WeakPolarHBondContact O-CB 3.44Å; P191-M194 PolarHBondContact O-N 3.39Å; P192-M194 PolarHBondContact O-N 3.14Å; M194-I196 WeakPolarHBondContact CG-O 3.39Å
195E90.8Very high90.5Very high140 Ų14067.3 Ų67.365%0.65434%0.335SS*.  trans-97-16.7-178.3-63.4178.8171.800113.1H151 I152 M193H151-E195 WeakPolarHBondContact CA-O 3.36Å; I152-E195 PolarHBondContact N-O 2.93Å; M193-E195 PolarHBondContact O-N 2.89Å
196I92.6Very high90.3Very high79 Ų7965.3 Ų65.341%0.40532%0.318SS..EExtended strand (participates in β ladder)trans-142.2139.8-169.5-58.5-176.2000109.3I149 Y150 M194I149-I196 HydrophobicContact CG2-CG2 3.37Å; Y150-I196 WeakPolarHBondContact O-CA 3.38Å; M194-I196 WeakPolarHBondContact CG-O 3.39Å
197I92.9Very high90.2Very high1 Ų161.4 Ų61.41%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-142.7144.5178.4-168.6159.5000111.3Y150 I152 I165 I190 Q201 L202 Y205Y150-I197 PolarHBondContact N-O 3.16Å; Y150-I197 PolarHBondContact O-N 3.38Å; I152-I197 HydrophobicContact CD1-CB 3.98Å; I152-I197 HydrophobicContact CD1-CG2 4.11Å; I152-I197 HydrophobicContact CG1-CB 4.35Å; I152-I197 HydrophobicContact CG1-CG2 3.91Å; I165-I197 HydrophobicContact CG2-CG2 4.2Å; I190-I197 HydrophobicContact CD1-CD1 3.87Å; I190-I197 HydrophobicContact CG1-CD1 4.3Å; I197-Q201 HydrophobicContact CD1-CB 4.25Å; I197-Q201 HydrophobicContact CG1-CB 3.77Å; I197-L202 HydrophobicContact CD1-CD2 3.55Å; I197-L202 HydrophobicContact CD1-CG 4.24Å; I197-L202 HydrophobicContact CG1-CD2 4.03Å; I197-L202 HydrophobicContact CG1-CG 4.2Å; I197-L202 HydrophobicContact CG2-CD2 4.16Å; I197-L202 HydrophobicContact CG2-CG 4.39Å; I197-Y205 HydrophobicContact CD1-CD2 4.08Å; I197-Y205 HydrophobicContact CD1-CE2 3.83Å
198T91.9Very high90.1Very high22 Ų2261.7 Ų61.714%0.13531%0.312CS..EExtended strand (participates in β ladder)trans-91.8158177.472.80000112.2S148 I149 E200 Q201 L202S148-T198 CarbonylContact O-C 3.56Å; S148-T198 WeakPolarHBondContact O-CA 3.43Å; I149-T198 HydrophobicContact CG1-CG2 4.28Å; T198-E200 PolarHBondContact O-N 2.9Å; T198-E200 PolarHBondContact OG1-N 3.02Å; T198-Q201 PolarHBondContact O-N 2.7Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.28Å; T198-Q201 PolarHBondContact OG1-N 3.1Å; T198-Q201 PolarHBondContact OG1-OE1 2.83Å; T198-L202 PolarHBondContact O-N 2.61Å
199A88.5Confident90Very high3 Ų362.8 Ų62.83%0.02532%0.315CS..Hα-helixtrans-54.6-39.8170.400000112.7S148 Y150 Q201 L202 M203 Q241S148-A199 PolarHBondContact O-N 3.35Å; Y150-A199 HydrophobicContact CE2-CB 3.85Å; A199-Q201 PolarHBondContact O-N 3.45Å; A199-L202 PolarHBondContact O-N 3.44Å; A199-M203 WeakPolarHBondContact O-CG 3.45Å; A199-M203 PolarHBondContact O-N 2.96Å; A199-Q241 HydrophobicContact CB-CG 4.35Å
200E89.1Confident89.9Confident123 Ų12356.9 Ų56.958%0.57529%0.29SS*.Hα-helixtrans-59.4-44.7177.7-61.3177.2141.200111.5Q147 T198 M203 E204Q147-E200 PolarHBondContact NE2-OE2 3.13Å; T198-E200 PolarHBondContact O-N 2.9Å; T198-E200 PolarHBondContact OG1-N 3.02Å; E200-M203 PolarHBondContact O-N 3.25Å; E200-E204 PolarHBondContact O-N 3.42Å
201Q91.1Very high89.6Confident61 Ų6160 Ų6029%0.28531%0.306SS..Hα-helixtrans-66.2-37.3176.3-69.9170.5-40.500112.4I197 T198 A199 M203 E204 Y205I197-Q201 HydrophobicContact CD1-CB 4.25Å; I197-Q201 HydrophobicContact CG1-CB 3.77Å; T198-Q201 PolarHBondContact O-N 2.7Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.28Å; T198-Q201 PolarHBondContact OG1-N 3.1Å; T198-Q201 PolarHBondContact OG1-OE1 2.83Å; A199-Q201 PolarHBondContact O-N 3.45Å; Q201-M203 VanDerWaalsContact C-N 3.33Å; Q201-E204 PolarHBondContact O-N 3.02Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.42Å; Q201-Y205 PolarHBondContact O-N 3.1Å
202L91.8Very high89.3Confident0 Ų064.8 Ų64.80%032%0.323CS..Hα-helixtrans-64.3-38.1173.7-66.4-179.9000112Y150 I165 L175 L176 M179 I197 T198 A199 L206Y150-L202 HydrophobicContact CD2-CD1 3.58Å; Y150-L202 HydrophobicContact CE2-CD1 3.82Å; I165-L202 HydrophobicContact CD1-CD1 4.14Å; I165-L202 HydrophobicContact CD1-CD2 3.41Å; I165-L202 VanDerWaalsContact CD1-CD2 3.41Å; I165-L202 HydrophobicContact CD1-CG 4.45Å; I165-L202 HydrophobicContact CG1-CD2 4.27Å; I165-L202 HydrophobicContact CG2-CD1 4.45Å; L175-L202 HydrophobicContact CD1-CB 4.45Å; L175-L202 HydrophobicContact CD2-CB 4Å; L175-L202 HydrophobicContact CD2-CD1 4.25Å; L175-L202 HydrophobicContact CG-CB 4.36Å; L175-L202 HydrophobicContact CG-CD1 4.49Å; L176-L202 HydrophobicContact CD2-CD1 3.67Å; M179-L202 HydrophobicContact CE-CD2 3.94Å; M179-L202 HydrophobicContact CG-CD2 4.31Å; I197-L202 HydrophobicContact CD1-CD2 3.55Å; I197-L202 HydrophobicContact CD1-CG 4.24Å; I197-L202 HydrophobicContact CG1-CD2 4.03Å; I197-L202 HydrophobicContact CG1-CG 4.2Å; I197-L202 HydrophobicContact CG2-CD2 4.16Å; I197-L202 HydrophobicContact CG2-CG 4.39Å; T198-L202 PolarHBondContact O-N 2.61Å; A199-L202 PolarHBondContact O-N 3.44Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 PolarHBondContact O-N 3.09Å
203M89.6Confident88.9Confident28 Ų2861.8 Ų61.814%0.13830%0.303CS..Hα-helixtrans-66.9-38.2173.5-60.9-45.4-59.300112.5L175 A199 E200 Q201 L206 G207 L237 Q241L175-M203 HydrophobicContact CD1-SD 3.83Å; L175-M203 HydrophobicContact CD2-SD 3.68Å; L175-M203 HydrophobicContact CG-SD 4.4Å; A199-M203 WeakPolarHBondContact O-CG 3.45Å; A199-M203 PolarHBondContact O-N 2.96Å; E200-M203 PolarHBondContact O-N 3.25Å; Q201-M203 VanDerWaalsContact C-N 3.33Å; M203-L206 PolarHBondContact O-N 3.04Å; M203-G207 PolarHBondContact O-N 3.39Å; M203-L237 HydrophobicContact CE-CB 3.61Å; M203-L237 HydrophobicContact CE-CD1 4.27Å; M203-L237 HydrophobicContact CE-CD2 3.84Å; M203-L237 HydrophobicContact CE-CG 4.1Å; M203-L237 WeakPolarHBondContact CE-O 3.27Å; M203-Q241 HydrophobicContact SD-CG 3.93Å; M203-Q241 PolarHBondContact SD-NE2 3.02Å; M203-Q241 VanDerWaalsContact SD-NE2 3.44Å
204E90.8Very high88.3Confident124 Ų12457.5 Ų57.558%0.57928%0.279SS*.Hα-helixtrans-61.8-53.6176.9-170.8171.4-153.400110.3E200 Q201 L206 G207 D208E200-E204 PolarHBondContact O-N 3.42Å; Q201-E204 PolarHBondContact O-N 3.02Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 2.72Å; E204-G207 PolarHBondContact O-N 2.97Å; E204-D208 WeakPolarHBondContact O-CB 3.47Å; E204-D208 PolarHBondContact O-N 2.63Å
205Y91.6Very high87.2Confident66 Ų6658.1 Ų58.126%0.25929%0.287SS..Hα-helixtrans-59.3-37.6175.7-71.9-54.5000113.7V188 I190 I197 Q201 Y209V188-Y205 HydrophobicContact CG1-CD1 4.46Å; V188-Y205 HydrophobicContact CG1-CG 4.31Å; I190-Y205 HydrophobicContact CG1-CE2 4.38Å; I197-Y205 HydrophobicContact CD1-CD2 4.08Å; I197-Y205 HydrophobicContact CD1-CE2 3.83Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.42Å; Q201-Y205 PolarHBondContact O-N 3.1Å; Y205-Y209 WeakPolarHBondContact O-CB 3.25Å; Y205-Y209 PolarHBondContact O-N 3.01Å; Y205-Y209 VanDerWaalsContact O-N 3.12Å
206L91.3Very high85.7Confident0 Ų061.4 Ų61.40%030%0.299CS..Hα-helixtrans-70.9-41.5177.5-175.156.3000111.9L175 I178 M179 L182 L202 M203 E204 Y209 I210 L237 L240 L268L175-L206 HydrophobicContact CD1-CD2 3.67Å; I178-L206 HydrophobicContact CG2-CD1 3.88Å; I178-L206 HydrophobicContact CG2-CD2 4.35Å; M179-L206 HydrophobicContact SD-CB 3.85Å; M179-L206 HydrophobicContact SD-CD1 4.14Å; M179-L206 HydrophobicContact SD-CG 4.41Å; L182-L206 HydrophobicContact CD1-CD1 3.67Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 PolarHBondContact O-N 3.09Å; M203-L206 PolarHBondContact O-N 3.04Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 2.72Å; L206-Y209 PolarHBondContact O-N 2.83Å; L206-I210 HydrophobicContact CD1-CD1 4.32Å; L206-I210 HydrophobicContact CG-CD1 4.15Å; L206-I210 WeakPolarHBondContact O-CD1 3.46Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 3.29Å; L206-I210 PolarHBondContact O-N 3.38Å; L206-L237 HydrophobicContact CD2-CD2 3.64Å; L206-L237 HydrophobicContact CG-CD2 4.06Å; L206-L240 HydrophobicContact CD2-CD1 4.08Å; L206-L268 HydrophobicContact CD1-CD1 3.91Å; L206-L268 HydrophobicContact CD1-CD2 3.88Å
207G89.9Confident84.1Confident10 Ų1066.8 Ų66.810%0.10332%0.323CS..Hα-helixtrans-65.2-45.8177.500000112.3M203 E204 I210 L211M203-G207 PolarHBondContact O-N 3.39Å; E204-G207 PolarHBondContact O-N 2.97Å; G207-I210 PolarHBondContact O-N 3.49Å; G207-L211 VanDerWaalsContact O-CG 3.26Å; G207-L211 WeakPolarHBondContact O-CG 3.44Å; G207-L211 PolarHBondContact O-N 2.88Å
208D89.4Confident82.9Confident88 Ų8869.5 Ų69.547%0.47134%0.336SS..Hα-helixtrans-60.4-46.9174.9-81.4-13.1000111.2E204 I210 L211 E212E204-D208 WeakPolarHBondContact O-CB 3.47Å; E204-D208 PolarHBondContact O-N 2.63Å; D208-I210 VanDerWaalsContact C-N 3.34Å; D208-I210 PolarHBondContact O-N 3.36Å; D208-L211 CarbonylContact O-C 3.57Å; D208-L211 WeakPolarHBondContact O-CA 3.43Å; D208-L211 PolarHBondContact O-N 3.33Å; D208-E212 WeakPolarHBondContact O-CG 3.3Å; D208-E212 PolarHBondContact O-N 3.17Å
209Y89.6Confident82Confident35 Ų3571.3 Ų71.314%0.13735%0.35CS..Hα-helixtrans-57.9-44176.1178.9-102000112.1L182 K187 V188 Y205 L206 L211 E212 T213 L268L182-Y209 HydrophobicContact CD1-CD1 3.99Å; L182-Y209 HydrophobicContact CD1-CE1 4.39Å; L182-Y209 HydrophobicContact CD2-CD1 4Å; L182-Y209 HydrophobicContact CD2-CE1 3.57Å; K187-Y209 HydrophobicContact CB-CD2 4.37Å; K187-Y209 HydrophobicContact CB-CE2 3.72Å; K187-Y209 HydrophobicContact CD-CE2 4.27Å; K187-Y209 WeakPolarHBondContact CD-OH 3.39Å; K187-Y209 WeakPolarHBondContact CE-OH 3.44Å; K187-Y209 HydrophobicContact CG-CE2 4.1Å; K187-Y209 PolarHBondContact NZ-OH 2.85Å; V188-Y209 HydrophobicContact CG2-CD2 4.31Å; V188-Y209 HydrophobicContact CG2-CG 4.22Å; Y205-Y209 WeakPolarHBondContact O-CB 3.25Å; Y205-Y209 PolarHBondContact O-N 3.01Å; Y205-Y209 VanDerWaalsContact O-N 3.12Å; L206-Y209 PolarHBondContact O-N 2.83Å; Y209-L211 VanDerWaalsContact C-N 3.27Å; Y209-L211 PolarHBondContact O-N 3.38Å; Y209-E212 PolarHBondContact O-N 3.47Å; Y209-T213 HydrophobicContact CD1-CG2 4.07Å; Y209-T213 HydrophobicContact CD2-CG2 4.09Å; Y209-T213 HydrophobicContact CE1-CG2 3.54Å; Y209-T213 HydrophobicContact CE2-CG2 3.53Å; Y209-T213 HydrophobicContact CG-CG2 4.31Å; Y209-T213 VanDerWaalsContact O-CG2 3.31Å; Y209-T213 WeakPolarHBondContact O-CG2 3.22Å; Y209-T213 PolarHBondContact O-N 3.41Å; Y209-T213 PolarHBondContact O-OG1 2.84Å; Y209-T213 VanDerWaalsContact O-OG1 3.11Å; Y209-T213 WeakPolarHBondContact OH-CG2 3.5Å; Y209-L268 HydrophobicContact CD1-CD2 3.45Å; Y209-L268 VanDerWaalsContact CD1-CD2 3.45Å; Y209-L268 HydrophobicContact CE1-CD2 3.54Å
210I87.4Confident81.1Confident0 Ų079.3 Ų79.30%039%0.387CS..Hα-helixtrans-62.8-31.5174.9-71.3165.8000112.5L206 G207 D208 T213 M230 M234 L237 L267 L268L206-I210 HydrophobicContact CD1-CD1 4.32Å; L206-I210 HydrophobicContact CG-CD1 4.15Å; L206-I210 WeakPolarHBondContact O-CD1 3.46Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 3.29Å; L206-I210 PolarHBondContact O-N 3.38Å; G207-I210 PolarHBondContact O-N 3.49Å; D208-I210 VanDerWaalsContact C-N 3.34Å; D208-I210 PolarHBondContact O-N 3.36Å; I210-T213 PolarHBondContact O-OG1 3.42Å; I210-M230 HydrophobicContact CG2-CG 4.06Å; I210-M234 HydrophobicContact CB-CE 4.02Å; I210-M234 HydrophobicContact CG2-CE 3.71Å; I210-L237 HydrophobicContact CD1-CD1 4.43Å; I210-L237 HydrophobicContact CD1-CD2 4.14Å; I210-L267 HydrophobicContact CG1-CD2 4.44Å; I210-L267 HydrophobicContact CG2-CD2 3.6Å; I210-L267 HydrophobicContact CG2-CG 4.42Å; I210-L268 HydrophobicContact CD1-CD2 4.16Å; I210-L268 HydrophobicContact CG1-CD2 3.6Å; I210-L268 HydrophobicContact CG1-CG 4.47Å
211L85.4Confident80.2Confident77 Ų7779.1 Ų79.140%0.40339%0.394SS..Hα-helixtrans-80.5-29.7178.4-69.4170.5000112.8G207 D208 Y209 K214 M230 M234G207-L211 VanDerWaalsContact O-CG 3.26Å; G207-L211 WeakPolarHBondContact O-CG 3.44Å; G207-L211 PolarHBondContact O-N 2.88Å; D208-L211 CarbonylContact O-C 3.57Å; D208-L211 WeakPolarHBondContact O-CA 3.43Å; D208-L211 PolarHBondContact O-N 3.33Å; Y209-L211 VanDerWaalsContact C-N 3.27Å; Y209-L211 PolarHBondContact O-N 3.38Å; L211-K214 WeakPolarHBondContact O-CD 3.4Å; L211-K214 WeakPolarHBondContact O-CE 3.31Å; L211-K214 WeakPolarHBondContact O-CG 3.36Å; L211-K214 PolarHBondContact O-NZ 2.84Å; L211-M230 HydrophobicContact CD2-SD 4.06Å; L211-M234 HydrophobicContact CD1-CE 4.38Å; L211-M234 HydrophobicContact CD2-CE 4.18Å; L211-M234 HydrophobicContact CG-CE 3.92Å
212E83.9Confident79.4Confident165 Ų16582 Ų8277%0.77141%0.407SS*.Hα-helixtrans-82.2-32.9177-72.1-161.9153.700113.9D208 Y209 K214D208-E212 WeakPolarHBondContact O-CG 3.3Å; D208-E212 PolarHBondContact O-N 3.17Å; Y209-E212 PolarHBondContact O-N 3.47Å; E212-K214 PolarHBondContact O-N 3.38Å; E212-K214 VanDerWaalsContact O-N 3.09Å
213T76.5Confident78.8Confident43 Ų4388.7 Ų88.726%0.26443%0.433SS..  trans-64.2-13.6-177.744.40000115.1Y209 I210 P215 Y226Y209-T213 HydrophobicContact CD1-CG2 4.07Å; Y209-T213 HydrophobicContact CD2-CG2 4.09Å; Y209-T213 HydrophobicContact CE1-CG2 3.54Å; Y209-T213 HydrophobicContact CE2-CG2 3.53Å; Y209-T213 HydrophobicContact CG-CG2 4.31Å; Y209-T213 VanDerWaalsContact O-CG2 3.31Å; Y209-T213 WeakPolarHBondContact O-CG2 3.22Å; Y209-T213 PolarHBondContact O-N 3.41Å; Y209-T213 PolarHBondContact O-OG1 2.84Å; Y209-T213 VanDerWaalsContact O-OG1 3.11Å; Y209-T213 WeakPolarHBondContact OH-CG2 3.5Å; I210-T213 PolarHBondContact O-OG1 3.42Å; T213-P215 WeakPolarHBondContact O-CD 3.38Å; T213-Y226 PolarHBondContact OG1-OH 3.14Å
214K69.8Low78.3Confident89 Ų8993 Ų9339%0.38746%0.456SS..  trans-38.4106.1-177.9-75.5177.4-173.7125.20112.4L211 E212 K216 Y226 M230L211-K214 WeakPolarHBondContact O-CD 3.4Å; L211-K214 WeakPolarHBondContact O-CE 3.31Å; L211-K214 WeakPolarHBondContact O-CG 3.36Å; L211-K214 PolarHBondContact O-NZ 2.84Å; E212-K214 PolarHBondContact O-N 3.38Å; E212-K214 VanDerWaalsContact O-N 3.09Å; K214-K216 PolarHBondContact O-N 2.84Å; K214-Y226 HydrophobicContact CG-CE1 3.84Å; K214-M230 WeakPolarHBondContact CE-SD 3.47Å
215P67.8Low78Confident67 Ų6791.8 Ų91.844%0.43545%0.453SS..  trans-61.5138-176.8-21.830.2000111.3T213 I218 Y226T213-P215 WeakPolarHBondContact O-CD 3.38Å; P215-I218 HydrophobicContact CB-CD1 3.8Å; P215-I218 HydrophobicContact CB-CG1 3.8Å; P215-I218 HydrophobicContact CG-CD1 4.05Å; P215-I218 WeakPolarHBondContact O-CD1 3.47Å; P215-I218 WeakPolarHBondContact O-CG1 3.33Å; P215-Y226 HydrophobicContact CG-CE2 4.16Å
216K59.4Low77.6Confident209 Ų20990.4 Ų90.491%0.90945%0.448SS*.SBendtrans-84.5-13.1-170.7-67.1171.9-176.6167.60113.7K214K214-K216 PolarHBondContact O-N 2.84Å
217E58.3Low77.2Confident192 Ų19294.1 Ų94.190%0.89747%0.465SS*.SBendtrans-127.989.3-178.6-64.9-176.1178.200109.1
218I67.7Low77.1Confident57 Ų5798.6 Ų98.629%0.29248%0.483SS..  trans-132.5136.2-179.7-47.9177.1000108.5P215 Q222 R223 Y226P215-I218 HydrophobicContact CB-CD1 3.8Å; P215-I218 HydrophobicContact CB-CG1 3.8Å; P215-I218 HydrophobicContact CG-CD1 4.05Å; P215-I218 WeakPolarHBondContact O-CD1 3.47Å; P215-I218 WeakPolarHBondContact O-CG1 3.33Å; I218-Q222 HydrophobicContact CG2-CB 3.35Å; I218-R223 HydrophobicContact CB-CB 4.43Å; I218-R223 HydrophobicContact CG2-CB 4.06Å; I218-R223 VanDerWaalsContact CG2-N 3.34Å; I218-Y226 HydrophobicContact CD1-CG 4.45Å
219S73.7Confident76.9Confident60 Ų6096.1 Ų96.142%0.4247%0.47SS..  trans-68.7153.7171.669.10000111.6V221 Q222 R223S219-V221 PolarHBondContact O-N 3.29Å; S219-V221 VanDerWaalsContact O-N 3.1Å; S219-Q222 PolarHBondContact O-N 2.96Å; S219-Q222 WeakPolarHBondContact OG-CG 3.5Å; S219-Q222 PolarHBondContact OG-OE1 3.06Å; S219-R223 WeakPolarHBondContact O-CB 3.2Å; S219-R223 PolarHBondContact O-N 2.87Å
220E69.8Low76.7Confident171 Ų17196.2 Ų96.280%0.79947%0.472SS*.Hα-helixtrans-55.1-36.1-174.5-62.2-175.614300113.4R223 L224E220-R223 PolarHBondContact O-N 2.89Å; E220-L224 PolarHBondContact O-N 3.49Å
221V70.8Confident76.8Confident120 Ų12099.4 Ų99.473%0.72749%0.494SS*.Hα-helixtrans-69.2-47.2177-178.20000111.7S219 R223 L224 N225S219-V221 PolarHBondContact O-N 3.29Å; S219-V221 VanDerWaalsContact O-N 3.1Å; V221-R223 PolarHBondContact O-N 2.98Å; V221-L224 PolarHBondContact O-N 2.97Å; V221-N225 PolarHBondContact O-N 2.82Å
222Q73.7Confident76.9Confident121 Ų12198.2 Ų98.257%0.56549%0.489SS*.Hα-helixtrans-66.1-29.9176.5-71.2168-5300111.7I218 S219 N225 Y226I218-Q222 HydrophobicContact CG2-CB 3.35Å; S219-Q222 PolarHBondContact O-N 2.96Å; S219-Q222 WeakPolarHBondContact OG-CG 3.5Å; S219-Q222 PolarHBondContact OG-OE1 3.06Å; Q222-N225 WeakPolarHBondContact O-CB 3.41Å; Q222-N225 PolarHBondContact O-N 2.81Å; Q222-Y226 PolarHBondContact O-N 3.05Å
223R79.3Confident77Confident141 Ų14190.4 Ų90.453%0.53245%0.452SS..Hα-helixtrans-66.1-44.1177.2179-179.4167.5179.6-4.7111.3I218 S219 E220 V221 N225 Y226 E227I218-R223 HydrophobicContact CB-CB 4.43Å; I218-R223 HydrophobicContact CG2-CB 4.06Å; I218-R223 VanDerWaalsContact CG2-N 3.34Å; S219-R223 WeakPolarHBondContact O-CB 3.2Å; S219-R223 PolarHBondContact O-N 2.87Å; E220-R223 PolarHBondContact O-N 2.89Å; V221-R223 PolarHBondContact O-N 2.98Å; R223-N225 VanDerWaalsContact C-N 3.29Å; R223-N225 PolarHBondContact O-N 3.36Å; R223-Y226 PolarHBondContact O-N 3.35Å; R223-Y226 VanDerWaalsContact O-N 3.16Å; R223-E227 HydrophobicContact CG-CG 4.43Å; R223-E227 IonicContact CZ-OE1 3.19Å; R223-E227 IonicContact NE-OE1 2.67Å; R223-E227 PolarHBondContact NE-OE1 3.5Å; R223-E227 IonicContact NH2-OE1 2.75Å; R223-E227 PolarHBondContact NH2-OE1 2.9Å; R223-E227 WeakPolarHBondContact O-CG 2.9Å; R223-E227 PolarHBondContact O-N 3.17Å
224L79.4Confident77.5Confident119 Ų11991.6 Ų91.662%0.62346%0.455SS*.Hα-helixtrans-61.3-39.3174.4-69.1172.6000111.5E220 V221 E227 Q228E220-L224 PolarHBondContact O-N 3.49Å; V221-L224 PolarHBondContact O-N 2.97Å; L224-E227 PolarHBondContact O-N 3.45Å; L224-Q228 WeakPolarHBondContact O-CB 3.35Å; L224-Q228 PolarHBondContact O-N 2.88Å
225N83.1Confident78.4Confident97 Ų9790.3 Ų90.352%0.51946%0.461SS..Hα-helixtrans-64.2-40173.4-163.1113.7000112.1V221 Q222 R223 N229V221-N225 PolarHBondContact O-N 2.82Å; Q222-N225 WeakPolarHBondContact O-CB 3.41Å; Q222-N225 PolarHBondContact O-N 2.81Å; R223-N225 VanDerWaalsContact C-N 3.29Å; R223-N225 PolarHBondContact O-N 3.36Å; N225-N229 PolarHBondContact ND2-OD1 3.02Å; N225-N229 WeakPolarHBondContact O-CB 3.12Å; N225-N229 PolarHBondContact O-N 3.04Å; N225-N229 PolarHBondContact O-OD1 3.23Å; N225-N229 VanDerWaalsContact O-OD1 3.13Å
226Y82.7Confident79.3Confident38 Ų3887.9 Ų87.915%0.14945%0.445CS..Hα-helixtrans-66.6-44.5176.1-172.3-78.4000111.6T213 K214 P215 I218 Q222 R223 Q228 N229 M230 L267T213-Y226 PolarHBondContact OG1-OH 3.14Å; K214-Y226 HydrophobicContact CG-CE1 3.84Å; P215-Y226 HydrophobicContact CG-CE2 4.16Å; I218-Y226 HydrophobicContact CD1-CG 4.45Å; Q222-Y226 PolarHBondContact O-N 3.05Å; R223-Y226 PolarHBondContact O-N 3.35Å; R223-Y226 VanDerWaalsContact O-N 3.16Å; Y226-Q228 VanDerWaalsContact C-N 3.31Å; Y226-Q228 PolarHBondContact O-N 3.32Å; Y226-N229 PolarHBondContact O-N 3.05Å; Y226-M230 HydrophobicContact CD1-CB 4.47Å; Y226-M230 HydrophobicContact CE1-CB 4.3Å; Y226-M230 HydrophobicContact CE1-SD 4.36Å; Y226-M230 WeakPolarHBondContact O-CB 3.42Å; Y226-M230 PolarHBondContact O-N 3.06Å; Y226-L267 HydrophobicContact CD2-CD1 4.21Å; Y226-L267 HydrophobicContact CE1-CD1 4.34Å; Y226-L267 HydrophobicContact CE2-CD1 3.66Å
227E84.6Confident80.5Confident77 Ų7778.5 Ų78.536%0.3641%0.405SS..Hα-helixtrans-63.7-36.5178.4-72.9176.9174.300111.7R223 L224 S231R223-E227 HydrophobicContact CG-CG 4.43Å; R223-E227 IonicContact CZ-OE1 3.19Å; R223-E227 IonicContact NE-OE1 2.67Å; R223-E227 PolarHBondContact NE-OE1 3.5Å; R223-E227 IonicContact NH2-OE1 2.75Å; R223-E227 PolarHBondContact NH2-OE1 2.9Å; R223-E227 WeakPolarHBondContact O-CG 2.9Å; R223-E227 PolarHBondContact O-N 3.17Å; L224-E227 PolarHBondContact O-N 3.45Å; E227-S231 WeakPolarHBondContact O-CB 3.37Å; E227-S231 PolarHBondContact O-N 2.91Å; E227-S231 VanDerWaalsContact O-N 3.09Å
228Q86Confident81.8Confident104 Ų10475.1 Ų75.149%0.48639%0.389SS..Hα-helixtrans-66.5-54.8171.3-175.661.546.500111.9L224 Y226 M230 S231 D232L224-Q228 WeakPolarHBondContact O-CB 3.35Å; L224-Q228 PolarHBondContact O-N 2.88Å; Y226-Q228 VanDerWaalsContact C-N 3.31Å; Y226-Q228 PolarHBondContact O-N 3.32Å; Q228-M230 PolarHBondContact O-N 2.69Å; Q228-S231 WeakPolarHBondContact O-CA 3.32Å; Q228-S231 WeakPolarHBondContact O-CB 3.32Å; Q228-S231 PolarHBondContact O-N 2.89Å; Q228-D232 PolarHBondContact NE2-OD1 2.93Å; Q228-D232 PolarHBondContact NE2-OD2 3.46Å; Q228-D232 PolarHBondContact O-N 3.39Å
229N85.8Confident82.7Confident37 Ų3775.4 Ų75.420%0.19839%0.388CS..Hα-helixtrans-57.3-37.2179-76.928.3000112.2N225 Y226 A233 I263N225-N229 PolarHBondContact ND2-OD1 3.02Å; N225-N229 WeakPolarHBondContact O-CB 3.12Å; N225-N229 PolarHBondContact O-N 3.04Å; N225-N229 PolarHBondContact O-OD1 3.23Å; N225-N229 VanDerWaalsContact O-OD1 3.13Å; Y226-N229 PolarHBondContact O-N 3.05Å; N229-A233 WeakPolarHBondContact O-CB 3.34Å; N229-A233 PolarHBondContact O-N 3.25Å; N229-I263 HydrophobicContact CB-CG2 3.82Å
230M86.8Confident83.2Confident37 Ų3772.6 Ų72.618%0.18237%0.368CS..Hα-helixtrans-66.7-39.9174.5-175.5-16671.300111.9I210 L211 K214 Y226 Q228 M234 L267I210-M230 HydrophobicContact CG2-CG 4.06Å; L211-M230 HydrophobicContact CD2-SD 4.06Å; K214-M230 WeakPolarHBondContact CE-SD 3.47Å; Y226-M230 HydrophobicContact CD1-CB 4.47Å; Y226-M230 HydrophobicContact CE1-CB 4.3Å; Y226-M230 HydrophobicContact CE1-SD 4.36Å; Y226-M230 WeakPolarHBondContact O-CB 3.42Å; Y226-M230 PolarHBondContact O-N 3.06Å; Q228-M230 PolarHBondContact O-N 2.69Å; M230-M234 VanDerWaalsContact O-CB 3.32Å; M230-M234 WeakPolarHBondContact O-CB 3.32Å; M230-M234 WeakPolarHBondContact O-CG 3.36Å; M230-M234 PolarHBondContact O-N 2.94Å; M230-L267 HydrophobicContact CB-CD2 4.44Å
231S87.7Confident83.9Confident66 Ų6667.2 Ų67.246%0.46234%0.343SS..Hα-helixtrans-64.6-43.8174.6-174.80000111.8E227 Q228 M234 A235E227-S231 WeakPolarHBondContact O-CB 3.37Å; E227-S231 PolarHBondContact O-N 2.91Å; E227-S231 VanDerWaalsContact O-N 3.09Å; Q228-S231 WeakPolarHBondContact O-CA 3.32Å; Q228-S231 WeakPolarHBondContact O-CB 3.32Å; Q228-S231 PolarHBondContact O-N 2.89Å; S231-M234 PolarHBondContact O-N 2.98Å; S231-A235 PolarHBondContact O-N 3.44Å
232D87.9Confident84.4Confident53 Ų5366.9 Ų66.928%0.28334%0.341SS..Hα-helixtrans-70.6-41.6-179.2-64.1-29.7000111.3Q228 M234 A235 V236 I263Q228-D232 PolarHBondContact NE2-OD1 2.93Å; Q228-D232 PolarHBondContact NE2-OD2 3.46Å; Q228-D232 PolarHBondContact O-N 3.39Å; D232-M234 PolarHBondContact O-N 3.31Å; D232-A235 WeakPolarHBondContact O-CB 3.24Å; D232-A235 PolarHBondContact O-N 3.35Å; D232-A235 VanDerWaalsContact O-N 3.16Å; D232-V236 WeakPolarHBondContact O-CG2 3.48Å; D232-V236 PolarHBondContact O-N 3.41Å; D232-I263 HydrophobicContact CB-CD1 3.9Å
233A87.3Confident84.7Confident0 Ų062.4 Ų62.40%033%0.328CS..Hα-helixtrans-56.7-48170.500000111.6N229 A235 V236 L237 I263 V264 L267N229-A233 WeakPolarHBondContact O-CB 3.34Å; N229-A233 PolarHBondContact O-N 3.25Å; A233-A235 VanDerWaalsContact C-N 3.27Å; A233-A235 PolarHBondContact O-N 2.95Å; A233-V236 WeakPolarHBondContact O-CG2 3.43Å; A233-V236 PolarHBondContact O-N 3.05Å; A233-L237 WeakPolarHBondContact O-CG 3.11Å; A233-L237 PolarHBondContact O-N 3.48Å; A233-I263 HydrophobicContact CB-CG2 4.39Å; A233-V264 HydrophobicContact CB-CG2 4.14Å; A233-L267 HydrophobicContact CB-CD2 3.57Å
234M86.6Confident85Confident69 Ų6956.5 Ų56.534%0.3431%0.307SS..Hα-helixtrans-62.2-32.2176.9-74-80.3170.500112.8I210 L211 M230 S231 D232 L237I210-M234 HydrophobicContact CB-CE 4.02Å; I210-M234 HydrophobicContact CG2-CE 3.71Å; L211-M234 HydrophobicContact CD1-CE 4.38Å; L211-M234 HydrophobicContact CD2-CE 4.18Å; L211-M234 HydrophobicContact CG-CE 3.92Å; M230-M234 VanDerWaalsContact O-CB 3.32Å; M230-M234 WeakPolarHBondContact O-CB 3.32Å; M230-M234 WeakPolarHBondContact O-CG 3.36Å; M230-M234 PolarHBondContact O-N 2.94Å; S231-M234 PolarHBondContact O-N 2.98Å; D232-M234 PolarHBondContact O-N 3.31Å; M234-L237 HydrophobicContact CE-CD1 4.33Å; M234-L237 HydrophobicContact SD-CD1 3.68Å
235A88Confident85.2Confident61 Ų6156.2 Ų56.250%0.50431%0.306SS..Hα-helixtrans-69.7-38.4174.700000112.6S231 D232 A233 H238S231-A235 PolarHBondContact O-N 3.44Å; D232-A235 WeakPolarHBondContact O-CB 3.24Å; D232-A235 PolarHBondContact O-N 3.35Å; D232-A235 VanDerWaalsContact O-N 3.16Å; A233-A235 VanDerWaalsContact C-N 3.27Å; A233-A235 PolarHBondContact O-N 2.95Å; A235-H238 PolarHBondContact O-CE1 2.94Å; A235-H238 PolarHBondContact O-ND1 3.07Å
236V86.8Confident85.6Confident16 Ų1652.8 Ų52.810%0.09729%0.289CS..Hα-helixtrans-90.5-15.5-178.4-58.50000114.9D232 A233 H238 K239 P260 E261 V264D232-V236 WeakPolarHBondContact O-CG2 3.48Å; D232-V236 PolarHBondContact O-N 3.41Å; A233-V236 WeakPolarHBondContact O-CG2 3.43Å; A233-V236 PolarHBondContact O-N 3.05Å; V236-H238 PolarHBondContact O-N 3.33Å; V236-K239 VanDerWaalsContact O-CB 3.32Å; V236-K239 WeakPolarHBondContact O-CB 3.46Å; V236-K239 PolarHBondContact O-N 3.02Å; V236-P260 HydrophobicContact CG1-CB 4.14Å; V236-E261 HydrophobicContact CB-CG 4.16Å; V236-E261 HydrophobicContact CG1-CG 4.31Å; V236-V264 HydrophobicContact CG2-CG2 3.95Å
237L85.4Confident86.1Confident13 Ų1351.5 Ų51.57%0.06828%0.284CS..THydrogen-bonded Turntrans-42.8-43.6-178.3-97.1-174.4000113.5M203 L206 I210 A233 M234 K239 L240M203-L237 HydrophobicContact CE-CB 3.61Å; M203-L237 HydrophobicContact CE-CD1 4.27Å; M203-L237 HydrophobicContact CE-CD2 3.84Å; M203-L237 HydrophobicContact CE-CG 4.1Å; M203-L237 WeakPolarHBondContact CE-O 3.27Å; L206-L237 HydrophobicContact CD2-CD2 3.64Å; L206-L237 HydrophobicContact CG-CD2 4.06Å; I210-L237 HydrophobicContact CD1-CD1 4.43Å; I210-L237 HydrophobicContact CD1-CD2 4.14Å; A233-L237 WeakPolarHBondContact O-CG 3.11Å; A233-L237 PolarHBondContact O-N 3.48Å; M234-L237 HydrophobicContact CE-CD1 4.33Å; M234-L237 HydrophobicContact SD-CD1 3.68Å; L237-K239 PolarHBondContact O-N 3.22Å; L237-L240 HydrophobicContact CD2-CD1 3.8Å; L237-L240 WeakPolarHBondContact O-CB 3.27Å; L237-L240 WeakPolarHBondContact O-CG 3.47Å; L237-L240 PolarHBondContact O-N 3.4Å; L237-L240 VanDerWaalsContact O-N 3.16Å
238H84.6Confident86.6Confident120 Ų12048 Ų4856%0.55627%0.268SS*.THydrogen-bonded Turntrans-60.3-28.5-178.871.1-85.8000114A235 V236 L240 Q241A235-H238 PolarHBondContact O-CE1 2.94Å; A235-H238 PolarHBondContact O-ND1 3.07Å; V236-H238 PolarHBondContact O-N 3.33Å; H238-L240 VanDerWaalsContact C-N 3.26Å; H238-L240 PolarHBondContact O-N 2.86Å; H238-Q241 PolarHBondContact O-N 3.02Å
239K87.1Confident87Confident63 Ų6345.6 Ų45.627%0.27426%0.256SS..Hα-helixtrans-64.4-29.3178-67-173.2167.6-165.70112.7V236 L237 Q241 T242 G243 E261V236-K239 VanDerWaalsContact O-CB 3.32Å; V236-K239 WeakPolarHBondContact O-CB 3.46Å; V236-K239 PolarHBondContact O-N 3.02Å; L237-K239 PolarHBondContact O-N 3.22Å; K239-Q241 PolarHBondContact O-N 3.07Å; K239-T242 PolarHBondContact O-N 3.38Å; K239-T242 PolarHBondContact O-OG1 2.99Å; K239-G243 CarbonylContact O-C 3.5Å; K239-G243 PolarHBondContact O-N 3.44Å; K239-E261 HydrophobicContact CD-CG 3.76Å; K239-E261 WeakPolarHBondContact CD-OE1 3.11Å; K239-E261 WeakPolarHBondContact CE-OE1 3.43Å; K239-E261 IonicContact NZ-OE1 2.75Å; K239-E261 PolarHBondContact NZ-OE1 3.14Å
240L85.1Confident87.5Confident2 Ų244.1 Ų44.11%0.0125%0.248CC..Hα-helixtrans-60.7-19.2-177.6-58.1172.5000113.4P174 L175 I178 L206 L237 H238 L244 V264P174-L240 HydrophobicContact CB-CD2 3.97Å; L175-L240 HydrophobicContact CB-CB 3.96Å; L175-L240 WeakPolarHBondContact CB-O 3.43Å; L175-L240 PolarHBondContact N-O 3Å; I178-L240 HydrophobicContact CD1-CD1 4.22Å; I178-L240 HydrophobicContact CD1-CD2 4.31Å; L206-L240 HydrophobicContact CD2-CD1 4.08Å; L237-L240 HydrophobicContact CD2-CD1 3.8Å; L237-L240 WeakPolarHBondContact O-CB 3.27Å; L237-L240 WeakPolarHBondContact O-CG 3.47Å; L237-L240 PolarHBondContact O-N 3.4Å; L237-L240 VanDerWaalsContact O-N 3.16Å; H238-L240 VanDerWaalsContact C-N 3.26Å; H238-L240 PolarHBondContact O-N 2.86Å; L240-L244 HydrophobicContact CD2-CD1 4.41Å; L240-L244 HydrophobicContact CD2-CD2 4.32Å; L240-V264 HydrophobicContact CD1-CG1 4.12Å; L240-V264 HydrophobicContact CD1-CG2 4.49Å
241Q83.3Confident87.8Confident58 Ų5845.7 Ų45.727%0.27126%0.26SS..Hα-helixtrans-80-35.2172.2-61.817740.500113G171 P172 L175 A199 M203 H238 K239G171-Q241 CarbonylContact C-O 3.5Å; P172-Q241 WeakPolarHBondContact CA-O 3.44Å; L175-Q241 HydrophobicContact CD2-CG 3.86Å; A199-Q241 HydrophobicContact CB-CG 4.35Å; M203-Q241 HydrophobicContact SD-CG 3.93Å; M203-Q241 PolarHBondContact SD-NE2 3.02Å; M203-Q241 VanDerWaalsContact SD-NE2 3.44Å; H238-Q241 PolarHBondContact O-N 3.02Å; K239-Q241 PolarHBondContact O-N 3.07Å
242T81.7Confident88.1Confident112 Ų11243.3 Ų43.369%0.68725%0.246SC*.Hα-helixtrans-97-24.3-171.151.10000114K239K239-T242 PolarHBondContact O-N 3.38Å; K239-T242 PolarHBondContact O-OG1 2.99Å
243G79.7Confident88.5Confident28 Ų2841.1 Ų41.129%0.28923%0.234SC..  trans144.1145.6-175.700000111.6K239K239-G243 CarbonylContact O-C 3.5Å; K239-G243 PolarHBondContact O-N 3.44Å
244L85.2Confident88.8Confident16 Ų1647.6 Ų47.68%0.08426%0.259CS..  trans-117.8114.1-176.3169.760.8000110.2P174 L240 V246 E261 F265 F356P174-L244 HydrophobicContact CB-CB 3.7Å; P174-L244 HydrophobicContact CB-CD2 3.8Å; P174-L244 HydrophobicContact CB-CG 4.39Å; P174-L244 HydrophobicContact CG-CB 3.37Å; P174-L244 HydrophobicContact CG-CD2 4.32Å; P174-L244 HydrophobicContact CG-CG 4.47Å; L240-L244 HydrophobicContact CD2-CD1 4.41Å; L240-L244 HydrophobicContact CD2-CD2 4.32Å; L244-V246 HydrophobicContact CD2-CG1 4.34Å; L244-V246 HydrophobicContact CG-CG1 4.08Å; L244-V246 PolarHBondContact O-N 2.84Å; L244-E261 HydrophobicContact CD1-CB 3.23Å; L244-E261 HydrophobicContact CD1-CG 4.02Å; L244-F265 HydrophobicContact CD2-CE2 3.5Å; L244-F265 HydrophobicContact CD2-CZ 3.58Å; L244-F356 HydrophobicContact CB-CE2 3.85Å; L244-F356 HydrophobicContact CB-CZ 3.93Å; L244-F356 HydrophobicContact CD2-CD1 4.23Å; L244-F356 HydrophobicContact CD2-CE1 3.54Å; L244-F356 HydrophobicContact CD2-CE2 4.06Å; L244-F356 HydrophobicContact CD2-CZ 3.43Å; L244-F356 VanDerWaalsContact CD2-CZ 3.43Å; L244-F356 HydrophobicContact CG-CE1 4.26Å; L244-F356 HydrophobicContact CG-CE2 4.11Å; L244-F356 HydrophobicContact CG-CZ 3.64Å
245D85Confident89.2Confident113 Ų11347 Ų4760%0.60426%0.258SS*.  trans-76112.2176.6-62.4-52.9000110.9T259D245-T259 PolarHBondContact O-OG1 2.95Å
246V90.3Very high89.4Confident26 Ų2645.7 Ų45.716%0.15824%0.241CC..  trans-124.1140.6171.3-68.50000110.7L244 F256 L272 F351 F356L244-V246 HydrophobicContact CD2-CG1 4.34Å; L244-V246 HydrophobicContact CG-CG1 4.08Å; L244-V246 PolarHBondContact O-N 2.84Å; V246-F256 HydrophobicContact CB-CD1 4.03Å; V246-F256 HydrophobicContact CB-CE1 4.21Å; V246-F256 HydrophobicContact CG1-CD1 4.48Å; V246-F256 HydrophobicContact CG2-CE1 4.37Å; V246-L272 HydrophobicContact CG1-CD2 4.36Å; V246-F351 HydrophobicContact CG2-CD1 3.98Å; V246-F351 HydrophobicContact CG2-CD2 3.74Å; V246-F351 HydrophobicContact CG2-CE1 3.83Å; V246-F351 HydrophobicContact CG2-CE2 3.56Å; V246-F351 HydrophobicContact CG2-CG 3.94Å; V246-F351 HydrophobicContact CG2-CZ 3.6Å; V246-F356 HydrophobicContact CB-CZ 4.44Å; V246-F356 HydrophobicContact CG1-CE1 4.16Å; V246-F356 HydrophobicContact CG1-CZ 3.88Å; V246-F356 HydrophobicContact CG2-CE1 4.28Å; V246-F356 HydrophobicContact CG2-CZ 3.68Å
247N93.1Very high89.7Confident11 Ų1148 Ų486%0.05925%0.252CS..  trans-121.4106.3178-176.819.9000109E257 S293 Y294 N295N247-E257 HydrophobicContact CB-CB 4.16Å; N247-E257 PolarHBondContact ND2-OE2 3.47Å; N247-E257 PolarHBondContact O-N 2.67Å; N247-S293 VanDerWaalsContact ND2-CB 3.32Å; N247-S293 WeakPolarHBondContact ND2-CB 3.47Å; N247-S293 PolarHBondContact ND2-OG 3.32Å; N247-S293 WeakPolarHBondContact OD1-CB 3.49Å; N247-Y294 WeakPolarHBondContact OD1-CB 3.34Å; N247-Y294 PolarHBondContact OD1-N 2.82Å; N247-Y294 VanDerWaalsContact OD1-N 3.09Å; N247-N295 PolarHBondContact ND2-ND2 3.15Å; N247-N295 PolarHBondContact OD1-N 2.85Å; N247-N295 VanDerWaalsContact OD1-N 3.17Å
248V94.9Very high89.7Confident4 Ų454.8 Ų54.82%0.02428%0.277CS..BIsolated β-bridgetrans-75.3158.3-176.8-65.50000112.5F250 F256 H274 W276 S293 Y294 F351V248-F250 HydrophobicContact CG2-CE1 4.3Å; V248-F256 HydrophobicContact CG1-CD1 3.89Å; V248-F256 HydrophobicContact CG1-CE1 3.6Å; V248-F256 HydrophobicContact CG1-CZ 4.45Å; V248-H274 HydrophobicContact CG1-CB 4.05Å; V248-W276 HydrophobicContact CG2-CE3 3.74Å; V248-W276 HydrophobicContact CG2-CZ3 4.29Å; V248-S293 CarbonylContact O-C 3.57Å; V248-S293 WeakPolarHBondContact O-CA 3.5Å; V248-S293 WeakPolarHBondContact O-CB 3.37Å; V248-Y294 PolarHBondContact O-N 3.34Å; V248-F351 HydrophobicContact CG1-CD1 4.15Å; V248-F351 HydrophobicContact CG1-CE1 4.36Å
249K95.1Very high89.7Confident53 Ų5350.2 Ų50.223%0.2326%0.258CS..BIsolated β-bridgetrans-119.5134.7163-52.1-164.8179.3-177.60110T251 V255 H274K249-T251 PolarHBondContact O-N 2.68Å; K249-V255 HydrophobicContact CB-CB 4.34Å; K249-V255 HydrophobicContact CB-CG1 3.85Å; K249-V255 WeakPolarHBondContact CB-O 3.46Å; K249-V255 HydrophobicContact CD-CG1 4.02Å; K249-V255 HydrophobicContact CG-CG1 4.15Å; K249-V255 PolarHBondContact N-O 2.94Å; K249-H274 PolarHBondContact O-CE1 2.89Å; K249-H274 VanDerWaalsContact O-CE1 3.24Å
250F95.7Very high89.6Confident5 Ų550.3 Ų50.32%0.02227%0.265CS..THydrogen-bonded Turntrans-76.717.5-169.1-42.9-85.6000114.9V248 W276 L277 V278 V289 Y294 L297 F322 L323V248-F250 HydrophobicContact CG2-CE1 4.3Å; F250-W276 WeakPolarHBondContact CA-O 3.34Å; F250-W276 HydrophobicContact CD1-CD2 4.17Å; F250-W276 HydrophobicContact CD1-CG 4.06Å; F250-W276 AromaticContact CE1-CD2 3.7Å; F250-W276 HydrophobicContact CE1-CD2 3.7Å; F250-W276 AromaticContact CE1-CE2 3.73Å; F250-W276 HydrophobicContact CE1-CE3 4.05Å; F250-W276 HydrophobicContact CE1-CG 4.09Å; F250-W276 HydrophobicContact CE1-CH2 4.44Å; F250-W276 HydrophobicContact CE1-CZ2 4.14Å; F250-W276 HydrophobicContact CE1-CZ3 4.38Å; F250-L277 WeakPolarHBondContact O-CA 3.27Å; F250-V278 HydrophobicContact CB-CG2 3.86Å; F250-V278 PolarHBondContact O-N 2.81Å; F250-V278 VanDerWaalsContact O-N 3.12Å; F250-V289 HydrophobicContact CB-CG1 4.13Å; F250-V289 HydrophobicContact CD2-CG1 3.41Å; F250-V289 VanDerWaalsContact CD2-CG1 3.41Å; F250-V289 HydrophobicContact CE2-CG1 4.12Å; F250-V289 HydrophobicContact CG-CG1 4.01Å; F250-Y294 HydrophobicContact CZ-CD2 4.25Å; F250-L297 HydrophobicContact CD2-CD2 4.3Å; F250-L297 HydrophobicContact CE2-CB 4.12Å; F250-L297 HydrophobicContact CE2-CD2 3.54Å; F250-L297 HydrophobicContact CE2-CG 4.46Å; F250-L297 HydrophobicContact CZ-CD2 3.82Å; F250-F322 AromaticContact CD1-CE1 3.68Å; F250-F322 HydrophobicContact CD1-CE1 3.68Å; F250-F322 AromaticContact CD1-CZ 3.89Å; F250-F322 HydrophobicContact CD1-CZ 3.89Å; F250-F322 AromaticContact CE1-CE1 3.86Å; F250-F322 HydrophobicContact CE1-CE1 3.86Å; F250-F322 HydrophobicContact CE1-CZ 4.41Å; F250-F322 HydrophobicContact CG-CE1 4.08Å; F250-F322 HydrophobicContact CG-CZ 4.35Å; F250-F322 HydrophobicContact CZ-CE1 4.41Å; F250-L323 HydrophobicContact CE1-CD2 4.28Å; F250-L323 HydrophobicContact CZ-CD2 4.08Å
251T93.4Very high89.5Confident71 Ų7151.1 Ų51.144%0.43627%0.269SS..THydrogen-bonded Turntrans-106.1-14.7-167.655.40000114.9K249K249-T251 PolarHBondContact O-N 2.68Å
252G94.1Very high89.7Confident16 Ų1649 Ų4917%0.16526%0.26CS..SBendtrans-178149.8173.800000112.7R254 V255 H274G252-R254 PolarHBondContact O-N 2.75Å; G252-V255 WeakPolarHBondContact O-CB 3.47Å; G252-V255 WeakPolarHBondContact O-CG2 3.41Å; G252-V255 PolarHBondContact O-N 2.72Å; G252-H274 PolarHBondContact O-NE2 3.12Å; G252-H274 VanDerWaalsContact O-NE2 3.13Å
253V95.5Very high89.9Confident7 Ų743.9 Ų43.94%0.04223%0.228CC..THydrogen-bonded Turntrans-65-7.6-163.2-59.90000117Y273 H274 L277 E337 L338 T341V253-Y273 HydrophobicContact CB-CD1 4.22Å; V253-Y273 HydrophobicContact CG2-CD1 3.83Å; V253-Y273 HydrophobicContact CG2-CE1 3.99Å; V253-Y273 CarbonylContact O-C 3.55Å; V253-Y273 VanDerWaalsContact O-CA 3.28Å; V253-Y273 WeakPolarHBondContact O-CA 3.46Å; V253-H274 WeakPolarHBondContact CA-O 3.48Å; V253-H274 WeakPolarHBondContact CB-O 3.19Å; V253-H274 PolarHBondContact O-CD2 3.1Å; V253-H274 PolarHBondContact O-N 2.92Å; V253-L277 HydrophobicContact CG1-CD1 3.8Å; V253-L277 HydrophobicContact CG1-CG 4.3Å; V253-E337 HydrophobicContact CG1-CB 3.69Å; V253-L338 HydrophobicContact CB-CD2 3.75Å; V253-L338 HydrophobicContact CB-CG 4.19Å; V253-L338 HydrophobicContact CG1-CD2 3.97Å; V253-L338 HydrophobicContact CG1-CG 3.82Å; V253-L338 HydrophobicContact CG2-CD2 4.29Å; V253-T341 HydrophobicContact CG2-CG2 3.86Å
254R94.8Very high90.4Very high136 Ų13642.5 Ų42.551%0.51322%0.215SC..THydrogen-bonded Turntrans-115.77.6176.6-65.1175.671.9135.8-5.9112.4G252 F256 Y273G252-R254 PolarHBondContact O-N 2.75Å; R254-F256 PolarHBondContact O-N 3.45Å; R254-Y273 HydrophobicContact CG-CD1 3.55Å; R254-Y273 HydrophobicContact CG-CE1 3.33Å; R254-Y273 HydrophobicContact CG-CG 4.47Å; R254-Y273 PolarHBondContact NH1-OH 3Å
255V94.1Very high90.7Very high55 Ų5542 Ų4233%0.33321%0.212SC..  trans-9783.9-165.7-169.80000110.8K249 G252K249-V255 HydrophobicContact CB-CB 4.34Å; K249-V255 HydrophobicContact CB-CG1 3.85Å; K249-V255 WeakPolarHBondContact CB-O 3.46Å; K249-V255 HydrophobicContact CD-CG1 4.02Å; K249-V255 HydrophobicContact CG-CG1 4.15Å; K249-V255 PolarHBondContact N-O 2.94Å; G252-V255 WeakPolarHBondContact O-CB 3.47Å; G252-V255 WeakPolarHBondContact O-CG2 3.41Å; G252-V255 PolarHBondContact O-N 2.72Å
256F93.7Very high90.8Very high34 Ų3442.1 Ų42.115%0.14921%0.212CC..BIsolated β-bridgetrans-90.1159.2168.6-61.5-93.5000111V246 V248 R254 L272 H274V246-F256 HydrophobicContact CB-CD1 4.03Å; V246-F256 HydrophobicContact CB-CE1 4.21Å; V246-F256 HydrophobicContact CG1-CD1 4.48Å; V246-F256 HydrophobicContact CG2-CE1 4.37Å; V248-F256 HydrophobicContact CG1-CD1 3.89Å; V248-F256 HydrophobicContact CG1-CE1 3.6Å; V248-F256 HydrophobicContact CG1-CZ 4.45Å; R254-F256 PolarHBondContact O-N 3.45Å; F256-L272 HydrophobicContact CD1-CD2 4.4Å; F256-L272 HydrophobicContact CD2-CD2 4.15Å; F256-L272 HydrophobicContact CD2-CG 4.39Å; F256-L272 HydrophobicContact CE1-CD2 4.05Å; F256-L272 HydrophobicContact CE1-CG 4.39Å; F256-L272 HydrophobicContact CE2-CB 4.22Å; F256-L272 HydrophobicContact CE2-CD2 3.81Å; F256-L272 HydrophobicContact CE2-CG 3.63Å; F256-L272 HydrophobicContact CG-CD2 4.44Å; F256-L272 HydrophobicContact CZ-CD1 4.46Å; F256-L272 HydrophobicContact CZ-CD2 3.75Å; F256-L272 HydrophobicContact CZ-CG 3.62Å; F256-H274 HydrophobicContact CE1-CB 4.37Å; F256-H274 AromaticContact CE2-CD2 3.66Å; F256-H274 HydrophobicContact CZ-CB 3.91Å; F256-H274 AromaticContact CZ-CD2 3.53Å
257E91.3Very high90.7Very high66 Ų6641.8 Ų41.831%0.30821%0.21SC..  trans-74.9140.4158.1-162.8165.4150.200109.2N247 T259 S293 Q296N247-E257 HydrophobicContact CB-CB 4.16Å; N247-E257 PolarHBondContact ND2-OE2 3.47Å; N247-E257 PolarHBondContact O-N 2.67Å; E257-T259 PolarHBondContact O-N 2.94Å; E257-T259 VanDerWaalsContact O-N 3.11Å; E257-S293 WeakPolarHBondContact OE2-CB 3.21Å; E257-S293 PolarHBondContact OE2-OG 2.87Å; E257-Q296 PolarHBondContact OE2-NE2 2.85Å
258Y85.8Confident90.5Very high154 Ų15441.3 Ų41.360%0.60421%0.207SC*.  trans-72.5106.9-175.1179.9-94.4000110.7I263Y258-I263 HydrophobicContact CE2-CG1 4.18Å; Y258-I263 VanDerWaalsContact OH-CD1 3.27Å; Y258-I263 WeakPolarHBondContact OH-CD1 3.33Å; Y258-I263 WeakPolarHBondContact OH-CG1 3.29Å
259T86.1Confident90.2Very high24 Ų2447.5 Ų47.515%0.14724%0.24CC..  trans-103.2148168.464.10000109.5D245 E257 E261 C262D245-T259 PolarHBondContact O-OG1 2.95Å; E257-T259 PolarHBondContact O-N 2.94Å; E257-T259 VanDerWaalsContact O-N 3.11Å; T259-E261 WeakPolarHBondContact CB-OE2 3.45Å; T259-E261 PolarHBondContact O-N 3.14Å; T259-E261 VanDerWaalsContact O-N 3.1Å; T259-C262 WeakPolarHBondContact O-CB 3.23Å; T259-C262 PolarHBondContact O-N 2.99Å; T259-C262 PolarHBondContact OG1-SG 3.17Å; T259-C262 VanDerWaalsContact OG1-SG 3.33Å
260P83.8Confident90.2Very high66 Ų6645.3 Ų45.343%0.42923%0.231SC..G310 helixtrans-54.4-27.9176.6-27.835.9000113.9V236 I263V236-P260 HydrophobicContact CG1-CB 4.14Å; P260-I263 WeakPolarHBondContact O-CB 3.34Å; P260-I263 WeakPolarHBondContact O-CD1 3.46Å; P260-I263 WeakPolarHBondContact O-CG1 3.48Å; P260-I263 PolarHBondContact O-N 3.27Å
261E82.6Confident90.2Very high18 Ų1845.9 Ų45.98%0.08424%0.235CC..G310 helixtrans-72.2-27.2179.6-59.169.3-160.800113V236 K239 L244 T259 I263 V264V236-E261 HydrophobicContact CB-CG 4.16Å; V236-E261 HydrophobicContact CG1-CG 4.31Å; K239-E261 HydrophobicContact CD-CG 3.76Å; K239-E261 WeakPolarHBondContact CD-OE1 3.11Å; K239-E261 WeakPolarHBondContact CE-OE1 3.43Å; K239-E261 IonicContact NZ-OE1 2.75Å; K239-E261 PolarHBondContact NZ-OE1 3.14Å; L244-E261 HydrophobicContact CD1-CB 3.23Å; L244-E261 HydrophobicContact CD1-CG 4.02Å; T259-E261 WeakPolarHBondContact CB-OE2 3.45Å; T259-E261 PolarHBondContact O-N 3.14Å; T259-E261 VanDerWaalsContact O-N 3.1Å; E261-I263 PolarHBondContact O-N 2.75Å; E261-V264 PolarHBondContact O-N 3.03Å
262C87.3Confident90.3Very high15 Ų1543.3 Ų43.310%0.10122%0.218CC..G310 helixtrans-65.9-22.3174.3-74.50000113.2T259 V264 F265T259-C262 WeakPolarHBondContact O-CB 3.23Å; T259-C262 PolarHBondContact O-N 2.99Å; T259-C262 PolarHBondContact OG1-SG 3.17Å; T259-C262 VanDerWaalsContact OG1-SG 3.33Å; C262-V264 PolarHBondContact O-N 2.99Å; C262-V264 VanDerWaalsContact O-N 3.08Å; C262-F265 PolarHBondContact O-N 3.36Å
263I87.8Confident90.4Very high3 Ų342.6 Ų42.62%0.01521%0.211CC..Hα-helixtrans-55.6-30.4179.7-58.8172.2000111.5N229 D232 A233 Y258 P260 E261 F265 D266 L267N229-I263 HydrophobicContact CB-CG2 3.82Å; D232-I263 HydrophobicContact CB-CD1 3.9Å; A233-I263 HydrophobicContact CB-CG2 4.39Å; Y258-I263 HydrophobicContact CE2-CG1 4.18Å; Y258-I263 VanDerWaalsContact OH-CD1 3.27Å; Y258-I263 WeakPolarHBondContact OH-CD1 3.33Å; Y258-I263 WeakPolarHBondContact OH-CG1 3.29Å; P260-I263 WeakPolarHBondContact O-CB 3.34Å; P260-I263 WeakPolarHBondContact O-CD1 3.46Å; P260-I263 WeakPolarHBondContact O-CG1 3.48Å; P260-I263 PolarHBondContact O-N 3.27Å; E261-I263 PolarHBondContact O-N 2.75Å; I263-F265 VanDerWaalsContact C-N 3.3Å; I263-F265 PolarHBondContact O-N 2.99Å; I263-D266 PolarHBondContact O-N 2.96Å; I263-L267 VanDerWaalsContact O-CB 3.28Å; I263-L267 WeakPolarHBondContact O-CB 3.46Å; I263-L267 PolarHBondContact O-N 2.77Å
264V89.4Confident90.4Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-60.8-38.6178.5-178.30000111.6I178 A233 V236 L240 E261 C262 L267 L268I178-V264 HydrophobicContact CD1-CG1 4.08Å; A233-V264 HydrophobicContact CB-CG2 4.14Å; V236-V264 HydrophobicContact CG2-CG2 3.95Å; L240-V264 HydrophobicContact CD1-CG1 4.12Å; L240-V264 HydrophobicContact CD1-CG2 4.49Å; E261-V264 PolarHBondContact O-N 3.03Å; C262-V264 PolarHBondContact O-N 2.99Å; C262-V264 VanDerWaalsContact O-N 3.08Å; V264-L267 PolarHBondContact O-N 3.49Å; V264-L268 HydrophobicContact CG1-CD1 3.62Å; V264-L268 HydrophobicContact CG1-CG 4.35Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 WeakPolarHBondContact O-CD1 3.48Å; V264-L268 WeakPolarHBondContact O-CG 3.46Å; V264-L268 PolarHBondContact O-N 3Å; V264-L268 VanDerWaalsContact O-N 3.15Å
265F90.7Very high90.5Very high4 Ų435.9 Ų35.92%0.01819%0.185CC..Hα-helixtrans-70.2-43.7-179.5-64.3-93.3000111.6I178 L244 C262 I263 L267 L268 D269 I270 L272 V349I178-F265 HydrophobicContact CD1-CE1 3.91Å; I178-F265 HydrophobicContact CD1-CE2 4.3Å; I178-F265 HydrophobicContact CD1-CZ 3.8Å; I178-F265 HydrophobicContact CG1-CD1 4.41Å; I178-F265 HydrophobicContact CG1-CE1 3.82Å; I178-F265 HydrophobicContact CG1-CZ 4.19Å; L244-F265 HydrophobicContact CD2-CE2 3.5Å; L244-F265 HydrophobicContact CD2-CZ 3.58Å; C262-F265 PolarHBondContact O-N 3.36Å; I263-F265 VanDerWaalsContact C-N 3.3Å; I263-F265 PolarHBondContact O-N 2.99Å; F265-L267 VanDerWaalsContact C-N 3.33Å; F265-L267 PolarHBondContact O-N 3.34Å; F265-L268 PolarHBondContact O-N 3.15Å; F265-D269 PolarHBondContact O-N 2.87Å; F265-I270 HydrophobicContact CD1-CG2 4.33Å; F265-I270 PolarHBondContact O-N 3.11Å; F265-L272 HydrophobicContact CD1-CB 4.08Å; F265-L272 HydrophobicContact CD1-CD1 4.34Å; F265-L272 HydrophobicContact CD2-CD2 4.43Å; F265-L272 HydrophobicContact CE1-CD1 3.95Å; F265-L272 HydrophobicContact CE2-CD2 4.42Å; F265-L272 HydrophobicContact CG-CB 4.29Å; F265-L272 HydrophobicContact CZ-CD1 4.29Å; F265-V349 HydrophobicContact CE1-CB 4.01Å; F265-V349 HydrophobicContact CE1-CG1 4.09Å; F265-V349 HydrophobicContact CE1-CG2 4.09Å
266D87.8Confident90.6Very high116 Ų11633.9 Ų33.962%0.6217%0.171SC*.Hα-helixtrans-62.4-38.6175.2-68.7-27.5000111.9I263I263-D266 PolarHBondContact O-N 2.96Å
267L87.6Confident90.7Very high19 Ų1932.4 Ų32.410%0.09917%0.165CC..Hα-helixtrans-73-29-178.6-169.267.3000113.3I210 Y226 M230 A233 I263 V264 F265I210-L267 HydrophobicContact CG1-CD2 4.44Å; I210-L267 HydrophobicContact CG2-CD2 3.6Å; I210-L267 HydrophobicContact CG2-CG 4.42Å; Y226-L267 HydrophobicContact CD2-CD1 4.21Å; Y226-L267 HydrophobicContact CE1-CD1 4.34Å; Y226-L267 HydrophobicContact CE2-CD1 3.66Å; M230-L267 HydrophobicContact CB-CD2 4.44Å; A233-L267 HydrophobicContact CB-CD2 3.57Å; I263-L267 VanDerWaalsContact O-CB 3.28Å; I263-L267 WeakPolarHBondContact O-CB 3.46Å; I263-L267 PolarHBondContact O-N 2.77Å; V264-L267 PolarHBondContact O-N 3.49Å; F265-L267 VanDerWaalsContact C-N 3.33Å; F265-L267 PolarHBondContact O-N 3.34Å
268L88.8Confident90.9Very high2 Ų230 Ų301%0.0115%0.154CC..Hα-helixtrans-89.1-8.3179.9-66.2169.9000113.8I178 L182 K187 L206 Y209 I210 V264 F265 I270I178-L268 HydrophobicContact CG2-CD1 3.51Å; L182-L268 HydrophobicContact CD1-CD2 4.41Å; K187-L268 PolarHBondContact NZ-O 3.4Å; L206-L268 HydrophobicContact CD1-CD1 3.91Å; L206-L268 HydrophobicContact CD1-CD2 3.88Å; Y209-L268 HydrophobicContact CD1-CD2 3.45Å; Y209-L268 VanDerWaalsContact CD1-CD2 3.45Å; Y209-L268 HydrophobicContact CE1-CD2 3.54Å; I210-L268 HydrophobicContact CD1-CD2 4.16Å; I210-L268 HydrophobicContact CG1-CD2 3.6Å; I210-L268 HydrophobicContact CG1-CG 4.47Å; V264-L268 HydrophobicContact CG1-CD1 3.62Å; V264-L268 HydrophobicContact CG1-CG 4.35Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 WeakPolarHBondContact O-CD1 3.48Å; V264-L268 WeakPolarHBondContact O-CG 3.46Å; V264-L268 PolarHBondContact O-N 3Å; V264-L268 VanDerWaalsContact O-N 3.15Å; F265-L268 PolarHBondContact O-N 3.15Å; L268-I270 HydrophobicContact CB-CB 4.45Å; L268-I270 HydrophobicContact CB-CD1 3.71Å; L268-I270 HydrophobicContact CB-CG1 3.78Å; L268-I270 HydrophobicContact CD1-CD1 3.92Å; L268-I270 HydrophobicContact CG-CD1 4.45Å
269D90.1Very high91.3Very high134 Ų13424.5 Ų24.572%0.71714%0.136SC*.THydrogen-bonded Turntrans53.857.6-166.7-167.535.8000111F265F265-D269 PolarHBondContact O-N 2.87Å
270I93.8Very high91.6Very high6 Ų626.8 Ų26.83%0.03115%0.151CC..  trans-123.6111.6177.6-62.3177.4000108.7I178 V181 L182 F265 L268 L272 V349I178-I270 HydrophobicContact CG2-CD1 4.1Å; V181-I270 HydrophobicContact CB-CD1 4.23Å; V181-I270 HydrophobicContact CG1-CD1 3.85Å; V181-I270 HydrophobicContact CG1-CG1 3.91Å; V181-I270 HydrophobicContact CG1-CG2 4.15Å; V181-I270 HydrophobicContact CG2-CG2 4.45Å; L182-I270 HydrophobicContact CD2-CD1 4.04Å; L182-I270 HydrophobicContact CG-CD1 4.22Å; F265-I270 HydrophobicContact CD1-CG2 4.33Å; F265-I270 PolarHBondContact O-N 3.11Å; L268-I270 HydrophobicContact CB-CB 4.45Å; L268-I270 HydrophobicContact CB-CD1 3.71Å; L268-I270 HydrophobicContact CB-CG1 3.78Å; L268-I270 HydrophobicContact CD1-CD1 3.92Å; L268-I270 HydrophobicContact CG-CD1 4.45Å; I270-L272 PolarHBondContact O-N 2.87Å; I270-V349 HydrophobicContact CG2-CG2 3.85Å
271P94.9Very high92Very high17 Ų1731.5 Ų31.511%0.1117%0.167CC..  trans-62.7131.2175.7-23.334.2000112.1Y273 E346 C348 V349P271-Y273 HydrophobicContact CB-CD2 3.99Å; P271-Y273 HydrophobicContact CB-CE2 3.43Å; P271-Y273 VanDerWaalsContact CB-CE2 3.43Å; P271-Y273 HydrophobicContact CG-CE2 4.43Å; P271-E346 HydrophobicContact CG-CG 4.48Å; P271-C348 HydrophobicContact CB-CB 3.97Å; P271-C348 HydrophobicContact CG-CB 4.4Å; P271-C348 WeakPolarHBondContact O-CB 3.28Å; P271-V349 PolarHBondContact O-N 3.32Å
272L95.5Very high92.4Very high17 Ų1735 Ų359%0.08919%0.185CC..EExtended strand (participates in β ladder)trans-100.5131167.9-175.965.1000109.8V246 F256 F265 I270 V349 F356V246-L272 HydrophobicContact CG1-CD2 4.36Å; F256-L272 HydrophobicContact CD1-CD2 4.4Å; F256-L272 HydrophobicContact CD2-CD2 4.15Å; F256-L272 HydrophobicContact CD2-CG 4.39Å; F256-L272 HydrophobicContact CE1-CD2 4.05Å; F256-L272 HydrophobicContact CE1-CG 4.39Å; F256-L272 HydrophobicContact CE2-CB 4.22Å; F256-L272 HydrophobicContact CE2-CD2 3.81Å; F256-L272 HydrophobicContact CE2-CG 3.63Å; F256-L272 HydrophobicContact CG-CD2 4.44Å; F256-L272 HydrophobicContact CZ-CD1 4.46Å; F256-L272 HydrophobicContact CZ-CD2 3.75Å; F256-L272 HydrophobicContact CZ-CG 3.62Å; F265-L272 HydrophobicContact CD1-CB 4.08Å; F265-L272 HydrophobicContact CD1-CD1 4.34Å; F265-L272 HydrophobicContact CD2-CD2 4.43Å; F265-L272 HydrophobicContact CE1-CD1 3.95Å; F265-L272 HydrophobicContact CE2-CD2 4.42Å; F265-L272 HydrophobicContact CG-CB 4.29Å; F265-L272 HydrophobicContact CZ-CD1 4.29Å; I270-L272 PolarHBondContact O-N 2.87Å; L272-V349 WeakPolarHBondContact CA-O 3.18Å; L272-V349 HydrophobicContact CD1-CB 3.99Å; L272-V349 HydrophobicContact CD1-CG1 3.76Å; L272-F356 HydrophobicContact CD1-CD1 4.09Å; L272-F356 HydrophobicContact CD1-CE1 4.06Å
273Y96.7Very high92.6Very high2 Ų241 Ų411%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-129.4152.4-176.7-75-79.6000112.1V253 R254 P271 L338 T341 V342 C348 V349 F350 F351 M359V253-Y273 HydrophobicContact CB-CD1 4.22Å; V253-Y273 HydrophobicContact CG2-CD1 3.83Å; V253-Y273 HydrophobicContact CG2-CE1 3.99Å; V253-Y273 CarbonylContact O-C 3.55Å; V253-Y273 VanDerWaalsContact O-CA 3.28Å; V253-Y273 WeakPolarHBondContact O-CA 3.46Å; R254-Y273 HydrophobicContact CG-CD1 3.55Å; R254-Y273 HydrophobicContact CG-CE1 3.33Å; R254-Y273 HydrophobicContact CG-CG 4.47Å; R254-Y273 PolarHBondContact NH1-OH 3Å; P271-Y273 HydrophobicContact CB-CD2 3.99Å; P271-Y273 HydrophobicContact CB-CE2 3.43Å; P271-Y273 VanDerWaalsContact CB-CE2 3.43Å; P271-Y273 HydrophobicContact CG-CE2 4.43Å; Y273-L338 HydrophobicContact CD1-CD2 3.93Å; Y273-L338 HydrophobicContact CG-CD2 4.15Å; Y273-T341 HydrophobicContact CE1-CG2 3.91Å; Y273-V342 HydrophobicContact CD1-CG2 4.27Å; Y273-V342 HydrophobicContact CD2-CG2 4.18Å; Y273-V342 HydrophobicContact CE1-CG2 3.99Å; Y273-V342 HydrophobicContact CE2-CG2 3.91Å; Y273-V342 HydrophobicContact CG-CG2 4.36Å; Y273-C348 HydrophobicContact CD2-CB 3.78Å; Y273-C348 HydrophobicContact CE2-CB 3.89Å; Y273-V349 PolarHBondContact N-O 3.33Å; Y273-F350 CarbonylContact O-C 3.59Å; Y273-F350 WeakPolarHBondContact O-CA 3.45Å; Y273-F351 PolarHBondContact O-N 3.21Å; Y273-M359 HydrophobicContact CD2-CE 4.35Å; Y273-M359 HydrophobicContact CG-CE 4.46Å
274H96.6Very high92.8Very high1 Ų146.8 Ų46.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-140.1156.2167.569.1103000111.2V248 K249 G252 V253 F256V248-H274 HydrophobicContact CG1-CB 4.05Å; K249-H274 PolarHBondContact O-CE1 2.89Å; K249-H274 VanDerWaalsContact O-CE1 3.24Å; G252-H274 PolarHBondContact O-NE2 3.12Å; G252-H274 VanDerWaalsContact O-NE2 3.13Å; V253-H274 WeakPolarHBondContact CA-O 3.48Å; V253-H274 WeakPolarHBondContact CB-O 3.19Å; V253-H274 PolarHBondContact O-CD2 3.1Å; V253-H274 PolarHBondContact O-N 2.92Å; F256-H274 HydrophobicContact CE1-CB 4.37Å; F256-H274 AromaticContact CE2-CD2 3.66Å; F256-H274 HydrophobicContact CZ-CB 3.91Å; F256-H274 AromaticContact CZ-CD2 3.53Å
275G95.9Very high92.9Very high0 Ų048.1 Ų48.10%025%0.249CC..BIsolated β-bridgetrans-106.97.6-17800000114.9L277 T331G275-L277 PolarHBondContact O-N 3.05Å; G275-L277 VanDerWaalsContact O-N 3.15Å; G275-T331 PolarHBondContact O-N 2.68Å; G275-T331 PolarHBondContact O-OG1 3.23Å
276W96.7Very high93.1Very high14 Ų1450.9 Ų50.95%0.05327%0.266CS..  trans-85.980.8-177-158.73.6000111.3V248 F250 Y294 F322 L323 T326 Q329V248-W276 HydrophobicContact CG2-CE3 3.74Å; V248-W276 HydrophobicContact CG2-CZ3 4.29Å; F250-W276 WeakPolarHBondContact CA-O 3.34Å; F250-W276 HydrophobicContact CD1-CD2 4.17Å; F250-W276 HydrophobicContact CD1-CG 4.06Å; F250-W276 AromaticContact CE1-CD2 3.7Å; F250-W276 HydrophobicContact CE1-CD2 3.7Å; F250-W276 AromaticContact CE1-CE2 3.73Å; F250-W276 HydrophobicContact CE1-CE3 4.05Å; F250-W276 HydrophobicContact CE1-CG 4.09Å; F250-W276 HydrophobicContact CE1-CH2 4.44Å; F250-W276 HydrophobicContact CE1-CZ2 4.14Å; F250-W276 HydrophobicContact CE1-CZ3 4.38Å; W276-Y294 AromaticContact CH2-CD2 3.56Å; W276-Y294 HydrophobicContact CH2-CD2 3.56Å; W276-Y294 AromaticContact CH2-CE2 3.71Å; W276-Y294 HydrophobicContact CH2-CE2 3.71Å; W276-Y294 AromaticContact CZ3-CD2 3.8Å; W276-Y294 HydrophobicContact CZ3-CD2 3.8Å; W276-Y294 HydrophobicContact CZ3-CE2 4.23Å; W276-Y294 HydrophobicContact CZ3-CG 4.39Å; W276-F322 AromaticContact NE1-CZ 3.81Å; W276-L323 HydrophobicContact CH2-CD2 3.87Å; W276-L323 HydrophobicContact CZ2-CD2 3.46Å; W276-L323 VanDerWaalsContact CZ2-CD2 3.46Å; W276-T326 PolarHBondContact NE1-OG1 2.7Å; W276-Q329 WeakPolarHBondContact CB-O 3.35Å; W276-Q329 HydrophobicContact CD2-CB 4.07Å; W276-Q329 HydrophobicContact CD2-CG 4.19Å; W276-Q329 HydrophobicContact CE3-CB 3.9Å; W276-Q329 HydrophobicContact CE3-CG 3.73Å; W276-Q329 HydrophobicContact CG-CB 4.37Å; W276-Q329 HydrophobicContact CH2-CG 4.21Å; W276-Q329 HydrophobicContact CZ3-CB 4.46Å; W276-Q329 HydrophobicContact CZ3-CG 3.77Å; W276-Q329 PolarHBondContact N-O 3.26Å
277L96.1Very high93.3Very high3 Ų351.6 Ų51.62%0.01626%0.263CS..  trans-113.7148.5178.2-58.2-167.1000112.5F250 V253 G275 T331 E337F250-L277 WeakPolarHBondContact O-CA 3.27Å; V253-L277 HydrophobicContact CG1-CD1 3.8Å; V253-L277 HydrophobicContact CG1-CG 4.3Å; G275-L277 PolarHBondContact O-N 3.05Å; G275-L277 VanDerWaalsContact O-N 3.15Å; L277-T331 PolarHBondContact N-OG1 2.99Å; L277-T331 WeakPolarHBondContact O-CB 3.45Å; L277-T331 VanDerWaalsContact O-CG2 3.25Å; L277-T331 WeakPolarHBondContact O-CG2 3.38Å; L277-T331 PolarHBondContact O-OG1 2.9Å; L277-E337 HydrophobicContact CD1-CB 3.96Å; L277-E337 HydrophobicContact CD1-CG 4.02Å
278V95.4Very high93.5Very high14 Ų1450.7 Ų50.79%0.08526%0.259CS..  trans-72.2142.9161.9177.30000109F250 I285 V286 V289 F322 H333F250-V278 HydrophobicContact CB-CG2 3.86Å; F250-V278 PolarHBondContact O-N 2.81Å; F250-V278 VanDerWaalsContact O-N 3.12Å; V278-I285 HydrophobicContact CG1-CB 4.1Å; V278-I285 HydrophobicContact CG1-CG2 3.71Å; V278-I285 HydrophobicContact CG2-CG2 3.97Å; V278-V286 HydrophobicContact CG1-CB 4.42Å; V278-V286 HydrophobicContact CG1-CG2 3.57Å; V278-V289 HydrophobicContact CG2-CB 3.99Å; V278-V289 HydrophobicContact CG2-CG1 3.9Å; V278-V289 HydrophobicContact CG2-CG2 3.95Å; V278-F322 HydrophobicContact CG2-CD2 4.4Å; V278-F322 HydrophobicContact CG2-CE1 3.98Å; V278-F322 HydrophobicContact CG2-CE2 3.82Å; V278-F322 HydrophobicContact CG2-CZ 3.58Å; V278-H333 PolarHBondContact O-ND1 3.15Å; V278-H333 VanDerWaalsContact O-ND1 3.11Å
279D94.1Very high93.6Very high39 Ų3950.6 Ų50.621%0.20926%0.258CS..  trans-79.4123171.3-169.6-38.1000110.3Q281 M282 H333D279-Q281 PolarHBondContact O-N 2.9Å; D279-Q281 VanDerWaalsContact O-N 3.09Å; D279-Q281 VanDerWaalsContact OD1-CB 3.27Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.24Å; D279-Q281 WeakPolarHBondContact OD1-CG 3.25Å; D279-Q281 PolarHBondContact OD1-N 2.71Å; D279-M282 HydrophobicContact CB-CE 3.64Å; D279-M282 HydrophobicContact CB-CG 4.36Å; D279-M282 PolarHBondContact O-N 3.15Å; D279-H333 HydrophobicContact CB-CB 4.11Å
280P92.2Very high93.6Very high72 Ų7245.9 Ų45.947%0.46824%0.241SC..THydrogen-bonded Turntrans-55.4-24.3176.7-27.335.7000114.8M282 H283 H333P280-M282 VanDerWaalsContact C-N 3.32Å; P280-H283 PolarHBondContact O-CE1 3.42Å; P280-H283 PolarHBondContact O-ND1 3.41Å; P280-H333 WeakPolarHBondContact CD-CE1 3.46Å; P280-H333 VanDerWaalsContact CD-NE2 3.26Å; P280-H333 WeakPolarHBondContact CD-NE2 3.45Å
281Q92.1Very high93.5Very high165 Ų16552 Ų5277%0.77127%0.274SS*.THydrogen-bonded Turntrans-70.2-27.7176-58.5-175.222.700112.4D279 H283D279-Q281 PolarHBondContact O-N 2.9Å; D279-Q281 VanDerWaalsContact O-N 3.09Å; D279-Q281 VanDerWaalsContact OD1-CB 3.27Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.24Å; D279-Q281 WeakPolarHBondContact OD1-CG 3.25Å; D279-Q281 PolarHBondContact OD1-N 2.71Å; Q281-H283 VanDerWaalsContact C-N 3.29Å; Q281-H283 PolarHBondContact O-N 3.2Å
282M91.4Very high93.4Very high93 Ų9352.5 Ų52.546%0.45828%0.277SS..  trans-86.967.4179.8-65.9-165.4-76.800110.9D279 P280 D284 I285 V286D279-M282 HydrophobicContact CB-CE 3.64Å; D279-M282 HydrophobicContact CB-CG 4.36Å; D279-M282 PolarHBondContact O-N 3.15Å; P280-M282 VanDerWaalsContact C-N 3.32Å; M282-D284 PolarHBondContact O-N 2.93Å; M282-D284 VanDerWaalsContact O-N 3.1Å; M282-I285 HydrophobicContact CB-CB 4.22Å; M282-I285 HydrophobicContact CB-CD1 4.01Å; M282-I285 HydrophobicContact CB-CG1 4.17Å; M282-I285 HydrophobicContact CE-CD1 3.97Å; M282-I285 HydrophobicContact CG-CD1 4.48Å; M282-I285 WeakPolarHBondContact O-CA 3.42Å; M282-I285 WeakPolarHBondContact O-CB 3.32Å; M282-I285 PolarHBondContact O-N 3.3Å; M282-I285 HydrophobicContact SD-CD1 3.69Å; M282-V286 PolarHBondContact O-N 2.85Å
283H91.3Very high93.4Very high139 Ų13951.7 Ų51.764%0.64427%0.273SS*.Hα-helixtrans-51.9-35.2-172.7-63.3-21.4000114.8P280 Q281 V286 K287P280-H283 PolarHBondContact O-CE1 3.42Å; P280-H283 PolarHBondContact O-ND1 3.41Å; Q281-H283 VanDerWaalsContact C-N 3.29Å; Q281-H283 PolarHBondContact O-N 3.2Å; H283-V286 PolarHBondContact O-N 2.75Å; H283-K287 WeakPolarHBondContact O-CB 3.43Å; H283-K287 PolarHBondContact O-N 2.94Å
284D91.3Very high93.3Very high126 Ų12655.9 Ų55.967%0.67429%0.29SS*.Hα-helixtrans-65.9-39.5176.9-60.7-48.2000112M282 K287 A288M282-D284 PolarHBondContact O-N 2.93Å; M282-D284 VanDerWaalsContact O-N 3.1Å; D284-K287 PolarHBondContact O-N 3.18Å; D284-A288 VanDerWaalsContact O-CB 3.31Å; D284-A288 WeakPolarHBondContact O-CB 3.27Å; D284-A288 PolarHBondContact O-N 2.97Å
285I92.6Very high93.2Very high27 Ų2759.8 Ų59.814%0.13831%0.311CS..Hα-helixtrans-70.1-41.9174.1-55.4-178.9000110.1V278 M282 K287 A288 V289 V318 F322V278-I285 HydrophobicContact CG1-CB 4.1Å; V278-I285 HydrophobicContact CG1-CG2 3.71Å; V278-I285 HydrophobicContact CG2-CG2 3.97Å; M282-I285 HydrophobicContact CB-CB 4.22Å; M282-I285 HydrophobicContact CB-CD1 4.01Å; M282-I285 HydrophobicContact CB-CG1 4.17Å; M282-I285 HydrophobicContact CE-CD1 3.97Å; M282-I285 HydrophobicContact CG-CD1 4.48Å; M282-I285 WeakPolarHBondContact O-CA 3.42Å; M282-I285 WeakPolarHBondContact O-CB 3.32Å; M282-I285 PolarHBondContact O-N 3.3Å; M282-I285 HydrophobicContact SD-CD1 3.69Å; I285-K287 VanDerWaalsContact C-N 3.27Å; I285-K287 PolarHBondContact O-N 2.71Å; I285-A288 PolarHBondContact O-N 2.85Å; I285-V289 HydrophobicContact CG2-CG2 3.84Å; I285-V289 WeakPolarHBondContact O-CB 3.39Å; I285-V289 WeakPolarHBondContact O-CG2 3.33Å; I285-V289 PolarHBondContact O-N 3.07Å; I285-V318 HydrophobicContact CB-CG1 4.42Å; I285-V318 HydrophobicContact CG1-CG1 3.82Å; I285-F322 HydrophobicContact CD1-CB 4.47Å; I285-F322 HydrophobicContact CD1-CD2 4.46Å; I285-F322 HydrophobicContact CG2-CB 3.76Å; I285-F322 HydrophobicContact CG2-CD1 4.45Å; I285-F322 HydrophobicContact CG2-CD2 3.7Å; I285-F322 HydrophobicContact CG2-CE2 4.45Å; I285-F322 HydrophobicContact CG2-CG 3.7Å
286V94.1Very high93.1Very high62 Ų6263.4 Ų63.438%0.37633%0.327SS..Hα-helixtrans-57.7-40.8175.1177.60000111V278 M282 H283 G290V278-V286 HydrophobicContact CG1-CB 4.42Å; V278-V286 HydrophobicContact CG1-CG2 3.57Å; M282-V286 PolarHBondContact O-N 2.85Å; H283-V286 PolarHBondContact O-N 2.75Å; V286-G290 WeakPolarHBondContact O-CA 3.3Å; V286-G290 PolarHBondContact O-N 2.8Å
287K91.9Very high93Very high131 Ų13162.7 Ų62.757%0.5733%0.325SS*.Hα-helixtrans-69.3-43.3175.3-177.3173.4-179.7-75.90112.4H283 D284 I285 E315H283-K287 WeakPolarHBondContact O-CB 3.43Å; H283-K287 PolarHBondContact O-N 2.94Å; D284-K287 PolarHBondContact O-N 3.18Å; I285-K287 VanDerWaalsContact C-N 3.27Å; I285-K287 PolarHBondContact O-N 2.71Å; K287-E315 IonicContact NZ-OE1 3.7Å; K287-E315 PolarHBondContact NZ-OE1 2.87Å
288A91.4Very high93Very high0 Ų064.8 Ų64.80%034%0.338CS..Hα-helixtrans-67.1-41-179.900000112.9D284 I285 K300 E315 V318 A319D284-A288 VanDerWaalsContact O-CB 3.31Å; D284-A288 WeakPolarHBondContact O-CB 3.27Å; D284-A288 PolarHBondContact O-N 2.97Å; I285-A288 PolarHBondContact O-N 2.85Å; A288-K300 PolarHBondContact O-NZ 2.8Å; A288-E315 HydrophobicContact CB-CB 4.3Å; A288-E315 WeakPolarHBondContact CB-O 3.21Å; A288-V318 HydrophobicContact CB-CB 4.01Å; A288-V318 HydrophobicContact CB-CG1 3.82Å; A288-A319 HydrophobicContact CB-CB 4.22Å
289V92.5Very high92.9Very high1 Ų170.2 Ų70.21%0.00636%0.362CS..Hα-helixtrans-85.1-43.8-178.3175.10000112.3F250 V278 I285 N291 C292 L297 F322F250-V289 HydrophobicContact CB-CG1 4.13Å; F250-V289 HydrophobicContact CD2-CG1 3.41Å; F250-V289 VanDerWaalsContact CD2-CG1 3.41Å; F250-V289 HydrophobicContact CE2-CG1 4.12Å; F250-V289 HydrophobicContact CG-CG1 4.01Å; V278-V289 HydrophobicContact CG2-CB 3.99Å; V278-V289 HydrophobicContact CG2-CG1 3.9Å; V278-V289 HydrophobicContact CG2-CG2 3.95Å; I285-V289 HydrophobicContact CG2-CG2 3.84Å; I285-V289 WeakPolarHBondContact O-CB 3.39Å; I285-V289 WeakPolarHBondContact O-CG2 3.33Å; I285-V289 PolarHBondContact O-N 3.07Å; V289-N291 PolarHBondContact O-N 2.94Å; V289-C292 WeakPolarHBondContact O-CB 3.22Å; V289-C292 PolarHBondContact O-N 3.07Å; V289-L297 HydrophobicContact CB-CD1 4.34Å; V289-L297 HydrophobicContact CG1-CD1 4.4Å; V289-L297 HydrophobicContact CG1-CD2 4.11Å; V289-L297 HydrophobicContact CG2-CD1 4.19Å; V289-L297 HydrophobicContact CG2-CD2 3.93Å; V289-F322 HydrophobicContact CG2-CD1 3.79Å; V289-F322 HydrophobicContact CG2-CE1 4.21Å; V289-F322 HydrophobicContact CG2-CG 4.32Å
290G89.8Confident92.8Very high34 Ų3470.9 Ų70.935%0.35136%0.363SS..THydrogen-bonded Turntrans56-135.2-177.300000113.2V286V286-G290 WeakPolarHBondContact O-CA 3.3Å; V286-G290 PolarHBondContact O-N 2.8Å
291N91.6Very high92.9Very high134 Ų13468.1 Ų68.172%0.71734%0.344SS*.THydrogen-bonded Turntrans-101.117.5-179.2-68.3-20.9000113.4V289V289-N291 PolarHBondContact O-N 2.94Å
292C92.8Very high92.9Very high28 Ų2864.4 Ų64.419%0.18933%0.329CS..  trans-66.3146.1179.4-69.50000111.9V289 Q296 L297V289-C292 WeakPolarHBondContact O-CB 3.22Å; V289-C292 PolarHBondContact O-N 3.07Å; C292-Q296 HydrophobicContact CB-CB 3.94Å; C292-L297 HydrophobicContact CB-CB 4.15Å
293S95.2Very high92.9Very high0 Ų063.6 Ų63.60%033%0.332CS..BIsolated β-bridgetrans-75.4168.1157.760.70000111.3N247 V248 E257 N295 Q296 L297N247-S293 VanDerWaalsContact ND2-CB 3.32Å; N247-S293 WeakPolarHBondContact ND2-CB 3.47Å; N247-S293 PolarHBondContact ND2-OG 3.32Å; N247-S293 WeakPolarHBondContact OD1-CB 3.49Å; V248-S293 CarbonylContact O-C 3.57Å; V248-S293 WeakPolarHBondContact O-CA 3.5Å; V248-S293 WeakPolarHBondContact O-CB 3.37Å; E257-S293 WeakPolarHBondContact OE2-CB 3.21Å; E257-S293 PolarHBondContact OE2-OG 2.87Å; S293-N295 PolarHBondContact O-N 2.97Å; S293-Q296 VanDerWaalsContact N-OE1 3.13Å; S293-Q296 PolarHBondContact O-N 2.89Å; S293-Q296 VanDerWaalsContact OG-CG 3.31Å; S293-Q296 WeakPolarHBondContact OG-CG 3.36Å; S293-Q296 PolarHBondContact OG-OE1 3.15Å; S293-L297 WeakPolarHBondContact O-CB 3.43Å; S293-L297 PolarHBondContact O-N 3.23Å
294Y94.8Very high92.9Very high90 Ų9057.3 Ų57.335%0.35330%0.304SS..Hα-helixtrans-54.1-48.5-179.7167.7-97.1000112.4N247 V248 F250 W276 Q296 L297 V298 L323N247-Y294 WeakPolarHBondContact OD1-CB 3.34Å; N247-Y294 PolarHBondContact OD1-N 2.82Å; N247-Y294 VanDerWaalsContact OD1-N 3.09Å; V248-Y294 PolarHBondContact O-N 3.34Å; F250-Y294 HydrophobicContact CZ-CD2 4.25Å; W276-Y294 AromaticContact CH2-CD2 3.56Å; W276-Y294 HydrophobicContact CH2-CD2 3.56Å; W276-Y294 AromaticContact CH2-CE2 3.71Å; W276-Y294 HydrophobicContact CH2-CE2 3.71Å; W276-Y294 AromaticContact CZ3-CD2 3.8Å; W276-Y294 HydrophobicContact CZ3-CD2 3.8Å; W276-Y294 HydrophobicContact CZ3-CE2 4.23Å; W276-Y294 HydrophobicContact CZ3-CG 4.39Å; Y294-Q296 PolarHBondContact O-N 3.13Å; Y294-L297 PolarHBondContact O-N 3.48Å; Y294-L297 VanDerWaalsContact O-N 3.15Å; Y294-V298 HydrophobicContact CD2-CG2 4.41Å; Y294-V298 HydrophobicContact CE1-CG2 4.28Å; Y294-V298 HydrophobicContact CE2-CG2 3.93Å; Y294-V298 WeakPolarHBondContact O-CG2 3.44Å; Y294-V298 PolarHBondContact O-N 2.85Å; Y294-L323 HydrophobicContact CD2-CD2 3.99Å; Y294-L323 HydrophobicContact CE2-CD1 4.29Å; Y294-L323 HydrophobicContact CE2-CD2 4.12Å
295N94.3Very high92.7Very high84 Ų8456.6 Ų56.645%0.44930%0.295SS..Hα-helixtrans-59.3-46177.5-66.2-9.9000112N247 S293 L297 V298 E299N247-N295 PolarHBondContact ND2-ND2 3.15Å; N247-N295 PolarHBondContact OD1-N 2.85Å; N247-N295 VanDerWaalsContact OD1-N 3.17Å; S293-N295 PolarHBondContact O-N 2.97Å; N295-L297 VanDerWaalsContact C-N 3.27Å; N295-L297 PolarHBondContact O-N 2.76Å; N295-V298 PolarHBondContact O-N 3.37Å; N295-E299 PolarHBondContact O-N 3.06Å
296Q94.5Very high92.6Very high75 Ų7562.8 Ų62.835%0.3532%0.323SS..Hα-helixtrans-64.2-31.9178.2-66.2168.22.100112.3E257 C292 S293 Y294 K300E257-Q296 PolarHBondContact OE2-NE2 2.85Å; C292-Q296 HydrophobicContact CB-CB 3.94Å; S293-Q296 VanDerWaalsContact N-OE1 3.13Å; S293-Q296 PolarHBondContact O-N 2.89Å; S293-Q296 VanDerWaalsContact OG-CG 3.31Å; S293-Q296 WeakPolarHBondContact OG-CG 3.36Å; S293-Q296 PolarHBondContact OG-OE1 3.15Å; Y294-Q296 PolarHBondContact O-N 3.13Å; Q296-K300 WeakPolarHBondContact O-CB 3.39Å; Q296-K300 PolarHBondContact O-N 3.42Å
297L94.8Very high92.3Very high0 Ų061.5 Ų61.50%032%0.317CS..Hα-helixtrans-72-40.8176.7-173.763000111.4F250 V289 C292 S293 Y294 N295 K300 I301 A319 F322 L323F250-L297 HydrophobicContact CD2-CD2 4.3Å; F250-L297 HydrophobicContact CE2-CB 4.12Å; F250-L297 HydrophobicContact CE2-CD2 3.54Å; F250-L297 HydrophobicContact CE2-CG 4.46Å; F250-L297 HydrophobicContact CZ-CD2 3.82Å; V289-L297 HydrophobicContact CB-CD1 4.34Å; V289-L297 HydrophobicContact CG1-CD1 4.4Å; V289-L297 HydrophobicContact CG1-CD2 4.11Å; V289-L297 HydrophobicContact CG2-CD1 4.19Å; V289-L297 HydrophobicContact CG2-CD2 3.93Å; C292-L297 HydrophobicContact CB-CB 4.15Å; S293-L297 WeakPolarHBondContact O-CB 3.43Å; S293-L297 PolarHBondContact O-N 3.23Å; Y294-L297 PolarHBondContact O-N 3.48Å; Y294-L297 VanDerWaalsContact O-N 3.15Å; N295-L297 VanDerWaalsContact C-N 3.27Å; N295-L297 PolarHBondContact O-N 2.76Å; L297-K300 PolarHBondContact O-N 2.82Å; L297-I301 HydrophobicContact CG-CD1 4.11Å; L297-I301 WeakPolarHBondContact O-CD1 3.2Å; L297-I301 VanDerWaalsContact O-CG1 3.25Å; L297-I301 WeakPolarHBondContact O-CG1 3.47Å; L297-I301 PolarHBondContact O-N 3.47Å; L297-A319 HydrophobicContact CD1-CB 3.83Å; L297-A319 HydrophobicContact CG-CB 4.43Å; L297-F322 HydrophobicContact CD2-CD1 4.34Å; L297-L323 HydrophobicContact CD2-CD1 4.2Å; L297-L323 HydrophobicContact CD2-CD2 3.97Å; L297-L323 HydrophobicContact CD2-CG 4.05Å; L297-L323 HydrophobicContact CG-CD1 4.48Å
298V94.4Very high92Very high47 Ų4763.8 Ų63.829%0.28534%0.335SS..Hα-helixtrans-62.5-45174.4174.20000110.7Y294 N295 K300 I301 I302 L323Y294-V298 HydrophobicContact CD2-CG2 4.41Å; Y294-V298 HydrophobicContact CE1-CG2 4.28Å; Y294-V298 HydrophobicContact CE2-CG2 3.93Å; Y294-V298 WeakPolarHBondContact O-CG2 3.44Å; Y294-V298 PolarHBondContact O-N 2.85Å; N295-V298 PolarHBondContact O-N 3.37Å; V298-K300 PolarHBondContact O-N 3Å; V298-I301 PolarHBondContact O-N 3.36Å; V298-I302 HydrophobicContact CG1-CD1 4.12Å; V298-I302 WeakPolarHBondContact O-CG1 3.47Å; V298-I302 PolarHBondContact O-N 2.72Å; V298-L323 HydrophobicContact CG2-CD1 4.07Å
299E93.4Very high91.9Very high128 Ų12867.2 Ų67.260%0.59835%0.354SS*.Hα-helixtrans-60.6-41.5172.8-71.6177.6-170.900112.5N295 I302 S303N295-E299 PolarHBondContact O-N 3.06Å; E299-I302 PolarHBondContact O-N 2.73Å; E299-S303 WeakPolarHBondContact O-CB 3.31Å; E299-S303 PolarHBondContact O-N 2.74Å; E299-S303 PolarHBondContact O-OG 2.85Å
300K93.1Very high91.7Very high53 Ų5372.2 Ų72.223%0.2339%0.389CS..Hα-helixtrans-61.4-46.1174.1-174.8-176.6175.8-1720111.3A288 Q296 L297 V298 I302 S303 C304 E315A288-K300 PolarHBondContact O-NZ 2.8Å; Q296-K300 WeakPolarHBondContact O-CB 3.39Å; Q296-K300 PolarHBondContact O-N 3.42Å; L297-K300 PolarHBondContact O-N 2.82Å; V298-K300 PolarHBondContact O-N 3Å; K300-I302 PolarHBondContact O-N 2.73Å; K300-S303 PolarHBondContact O-N 2.83Å; K300-C304 VanDerWaalsContact O-CB 3.27Å; K300-C304 WeakPolarHBondContact O-CB 3.34Å; K300-C304 PolarHBondContact O-N 3.11Å; K300-C304 PolarHBondContact O-SG 3.44Å; K300-C304 VanDerWaalsContact O-SG 3.35Å; K300-E315 WeakPolarHBondContact CE-OE2 3.33Å; K300-E315 IonicContact NZ-OE2 2.72Å; K300-E315 PolarHBondContact NZ-OE2 2.78Å
301I93.3Very high91.5Very high13 Ų1377.7 Ų77.77%0.06741%0.405CS..Hα-helixtrans-58.3-48.3179.2-72.6160.5000110.7L297 V298 S303 C304 K305 A319 E320 L323L297-I301 HydrophobicContact CG-CD1 4.11Å; L297-I301 WeakPolarHBondContact O-CD1 3.2Å; L297-I301 VanDerWaalsContact O-CG1 3.25Å; L297-I301 WeakPolarHBondContact O-CG1 3.47Å; L297-I301 PolarHBondContact O-N 3.47Å; V298-I301 PolarHBondContact O-N 3.36Å; I301-S303 PolarHBondContact O-N 3.04Å; I301-C304 PolarHBondContact O-N 3.22Å; I301-K305 HydrophobicContact CG2-CD 3.72Å; I301-K305 HydrophobicContact CG2-CG 4.49Å; I301-K305 WeakPolarHBondContact O-CB 3.48Å; I301-K305 VanDerWaalsContact O-CG 3.28Å; I301-K305 WeakPolarHBondContact O-CG 3.41Å; I301-K305 PolarHBondContact O-N 3.4Å; I301-A319 HydrophobicContact CD1-CB 3.87Å; I301-A319 HydrophobicContact CG1-CB 3.6Å; I301-E320 HydrophobicContact CD1-CB 4.37Å; I301-E320 HydrophobicContact CG2-CB 4.05Å; I301-L323 HydrophobicContact CD1-CD1 3.53Å; I301-L323 HydrophobicContact CD1-CG 4.36Å
302I92.9Very high91.3Very high87 Ų8774.8 Ų74.845%0.44639%0.389SS..Hα-helixtrans-60.1-47.7177.7-65.3165.2000110.4V298 E299 K300 C304 K305 Q306V298-I302 HydrophobicContact CG1-CD1 4.12Å; V298-I302 WeakPolarHBondContact O-CG1 3.47Å; V298-I302 PolarHBondContact O-N 2.72Å; E299-I302 PolarHBondContact O-N 2.73Å; K300-I302 PolarHBondContact O-N 2.73Å; I302-C304 PolarHBondContact O-N 2.92Å; I302-K305 PolarHBondContact O-N 2.86Å; I302-Q306 WeakPolarHBondContact O-CG 3.21Å; I302-Q306 PolarHBondContact O-N 3.37Å; I302-Q306 VanDerWaalsContact O-N 3.13Å
303S91.9Very high91.1Very high77 Ų7774.7 Ų74.754%0.53839%0.39SS..Hα-helixtrans-62.5-41.9179.9-56.60000112.6E299 K300 I301 Q306 S307E299-S303 WeakPolarHBondContact O-CB 3.31Å; E299-S303 PolarHBondContact O-N 2.74Å; E299-S303 PolarHBondContact O-OG 2.85Å; K300-S303 PolarHBondContact O-N 2.83Å; I301-S303 PolarHBondContact O-N 3.04Å; S303-Q306 PolarHBondContact O-N 2.98Å; S303-S307 PolarHBondContact O-N 2.95Å
304C91.1Very high90.8Very high7 Ų776.1 Ų76.15%0.04741%0.406CS..Hα-helixtrans-64.5-45176.3-80.40000112K300 I301 I302 Q306 S307 L312K300-C304 VanDerWaalsContact O-CB 3.27Å; K300-C304 WeakPolarHBondContact O-CB 3.34Å; K300-C304 PolarHBondContact O-N 3.11Å; K300-C304 PolarHBondContact O-SG 3.44Å; K300-C304 VanDerWaalsContact O-SG 3.35Å; I301-C304 PolarHBondContact O-N 3.22Å; I302-C304 PolarHBondContact O-N 2.92Å; C304-Q306 PolarHBondContact O-N 3.08Å; C304-S307 WeakPolarHBondContact O-CB 3.38Å; C304-S307 PolarHBondContact O-N 2.84Å; C304-S307 VanDerWaalsContact O-N 3.08Å; C304-S307 PolarHBondContact O-OG 2.74Å; C304-L312 WeakPolarHBondContact CB-O 3.48Å; C304-L312 PolarHBondContact SG-O 2.88Å
305K87.4Confident90.6Very high110 Ų11073.6 Ų73.648%0.47840%0.397SS..Hα-helixtrans-68.5-19.3179.5-71.817463.4156.70113.6I301 I302 E320I301-K305 HydrophobicContact CG2-CD 3.72Å; I301-K305 HydrophobicContact CG2-CG 4.49Å; I301-K305 WeakPolarHBondContact O-CB 3.48Å; I301-K305 VanDerWaalsContact O-CG 3.28Å; I301-K305 WeakPolarHBondContact O-CG 3.41Å; I301-K305 PolarHBondContact O-N 3.4Å; I302-K305 PolarHBondContact O-N 2.86Å; K305-E320 IonicContact NZ-OE1 2.72Å; K305-E320 PolarHBondContact NZ-OE1 2.98Å; K305-E320 IonicContact NZ-OE2 2.66Å; K305-E320 PolarHBondContact NZ-OE2 3.37Å
306Q89.1Confident90.5Very high157 Ų15769.6 Ų69.673%0.73438%0.376SS*.THydrogen-bonded Turntrans-90.8-3.1172.2-68.9178.511.200113.7I302 S303 C304I302-Q306 WeakPolarHBondContact O-CG 3.21Å; I302-Q306 PolarHBondContact O-N 3.37Å; I302-Q306 VanDerWaalsContact O-N 3.13Å; S303-Q306 PolarHBondContact O-N 2.98Å; C304-Q306 PolarHBondContact O-N 3.08Å
307S88.1Confident90.4Very high36 Ų3670.7 Ų70.725%0.25238%0.383SS..  trans-94.1137.6-174.377.10000113.2S303 C304 N309S303-S307 PolarHBondContact O-N 2.95Å; C304-S307 WeakPolarHBondContact O-CB 3.38Å; C304-S307 PolarHBondContact O-N 2.84Å; C304-S307 VanDerWaalsContact O-N 3.08Å; C304-S307 PolarHBondContact O-OG 2.74Å; S307-N309 PolarHBondContact O-N 3.26Å; S307-N309 VanDerWaalsContact O-N 3.16Å
308D85.4Confident90.4Very high178 Ų17872.6 Ų72.695%0.95240%0.395SS*.SBendtrans-69.6-5174.9-61.1-59.8000113.7S310D308-S310 PolarHBondContact O-N 3.04Å
309N90.3Very high90.3Very high73 Ų7370.4 Ų70.439%0.3938%0.382SS..  trans-87.2111-179.7-178.22.3000110.8S307 E311 L312 A313S307-N309 PolarHBondContact O-N 3.26Å; S307-N309 VanDerWaalsContact O-N 3.16Å; N309-E311 PolarHBondContact O-N 3.24Å; N309-E311 VanDerWaalsContact O-N 3.08Å; N309-E311 PolarHBondContact OD1-N 3.03Å; N309-L312 HydrophobicContact CB-CB 4.28Å; N309-L312 HydrophobicContact CB-CD1 4.17Å; N309-L312 HydrophobicContact CB-CG 4.31Å; N309-L312 PolarHBondContact O-N 2.87Å; N309-A313 PolarHBondContact O-N 3.39Å
310S87.3Confident90.4Very high105 Ų10568 Ų6873%0.73437%0.37SS*.Hα-helixtrans-53.9-28.4178.2-170.20000114.6D308 G314D308-S310 PolarHBondContact O-N 3.04Å; S310-G314 PolarHBondContact O-N 2.96Å; S310-G314 VanDerWaalsContact O-N 3.1Å
311E86.3Confident90.4Very high149 Ų14971.7 Ų71.770%0.69639%0.388SS*.Hα-helixtrans-74.5-42.6177.3-64.3-174.5173.400111.9N309 G314 E315N309-E311 PolarHBondContact O-N 3.24Å; N309-E311 VanDerWaalsContact O-N 3.08Å; N309-E311 PolarHBondContact OD1-N 3.03Å; E311-G314 PolarHBondContact O-N 2.79Å; E311-E315 PolarHBondContact O-N 3.26Å
312L86.5Confident90.5Very high73 Ų7371.2 Ų71.238%0.38239%0.386SS..Hα-helixtrans-71.5-40.9177.8-68.3175.4000111.2C304 N309 G314 E315 G316C304-L312 WeakPolarHBondContact CB-O 3.48Å; C304-L312 PolarHBondContact SG-O 2.88Å; N309-L312 HydrophobicContact CB-CB 4.28Å; N309-L312 HydrophobicContact CB-CD1 4.17Å; N309-L312 HydrophobicContact CB-CG 4.31Å; N309-L312 PolarHBondContact O-N 2.87Å; L312-G314 VanDerWaalsContact C-N 3.26Å; L312-G314 PolarHBondContact O-N 2.94Å; L312-E315 PolarHBondContact O-N 3.42Å; L312-G316 PolarHBondContact O-N 2.82Å
313A88.8Confident90.6Very high26 Ų2668.4 Ų68.422%0.21537%0.371CS..Hα-helixtrans-57.7-40.3171.400000111.5N309 G316 I317N309-A313 PolarHBondContact O-N 3.39Å; A313-G316 PolarHBondContact O-N 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.44Å; A313-I317 PolarHBondContact O-N 3.44Å
314G88.8Confident90.7Very high31 Ų3169.1 Ų69.132%0.3238%0.377SS..Hα-helixtrans-59.7-49172.500000113.3S310 E311 L312 G316 I317 V318S310-G314 PolarHBondContact O-N 2.96Å; S310-G314 VanDerWaalsContact O-N 3.1Å; E311-G314 PolarHBondContact O-N 2.79Å; L312-G314 VanDerWaalsContact C-N 3.26Å; L312-G314 PolarHBondContact O-N 2.94Å; G314-G316 VanDerWaalsContact C-N 3.29Å; G314-G316 PolarHBondContact O-N 2.78Å; G314-I317 PolarHBondContact O-N 3.39Å; G314-V318 WeakPolarHBondContact O-CG2 3.26Å; G314-V318 PolarHBondContact O-N 2.96Å
315E90.8Very high90.8Very high36 Ų3672.9 Ų72.917%0.16840%0.403CS..Hα-helixtrans-58.8-39.9173.8-74.9-172.2-164.300112.5K287 A288 K300 E311 L312 I317 V318 A319K287-E315 IonicContact NZ-OE1 3.7Å; K287-E315 PolarHBondContact NZ-OE1 2.87Å; A288-E315 HydrophobicContact CB-CB 4.3Å; A288-E315 WeakPolarHBondContact CB-O 3.21Å; K300-E315 WeakPolarHBondContact CE-OE2 3.33Å; K300-E315 IonicContact NZ-OE2 2.72Å; K300-E315 PolarHBondContact NZ-OE2 2.78Å; E311-E315 PolarHBondContact O-N 3.26Å; L312-E315 PolarHBondContact O-N 3.42Å; E315-I317 PolarHBondContact O-N 2.97Å; E315-V318 PolarHBondContact O-N 2.84Å; E315-A319 WeakPolarHBondContact O-CB 3.47Å; E315-A319 PolarHBondContact O-N 3.21Å
316G92Very high91Very high1 Ų168.5 Ų68.51%0.0139%0.385CS..Hα-helixtrans-60.8-42.8177.100000112.8L312 A313 G314 A319 E320L312-G316 PolarHBondContact O-N 2.82Å; A313-G316 PolarHBondContact O-N 3.28Å; G314-G316 VanDerWaalsContact C-N 3.29Å; G314-G316 PolarHBondContact O-N 2.78Å; G316-A319 PolarHBondContact O-N 2.8Å; G316-E320 WeakPolarHBondContact O-CB 3.38Å; G316-E320 PolarHBondContact O-N 2.93Å
317I92.3Very high91.2Very high97 Ų9763.9 Ų63.950%0.49737%0.374SS..Hα-helixtrans-66.6-41.7177.2-66.4162.5000111.1A313 G314 E315 E320 Q321A313-I317 WeakPolarHBondContact O-CG1 3.44Å; A313-I317 PolarHBondContact O-N 3.44Å; G314-I317 PolarHBondContact O-N 3.39Å; E315-I317 PolarHBondContact O-N 2.97Å; I317-E320 PolarHBondContact O-N 2.98Å; I317-Q321 WeakPolarHBondContact O-CB 3.1Å; I317-Q321 PolarHBondContact O-N 3.04Å
318V94.2Very high91.3Very high41 Ų4165.2 Ų65.225%0.24838%0.381CS..Hα-helixtrans-65.7-40.6177.9173.30000111.5I285 A288 G314 E315 Q321 F322I285-V318 HydrophobicContact CB-CG1 4.42Å; I285-V318 HydrophobicContact CG1-CG1 3.82Å; A288-V318 HydrophobicContact CB-CB 4.01Å; A288-V318 HydrophobicContact CB-CG1 3.82Å; G314-V318 WeakPolarHBondContact O-CG2 3.26Å; G314-V318 PolarHBondContact O-N 2.96Å; E315-V318 PolarHBondContact O-N 2.84Å; V318-Q321 PolarHBondContact O-N 2.96Å; V318-F322 PolarHBondContact O-N 3.18Å
319A93.9Very high91.7Very high1 Ų157.7 Ų57.71%0.00834%0.34CS..Hα-helixtrans-66.5-39.617500000112.6A288 L297 I301 E315 G316 F322 L323A288-A319 HydrophobicContact CB-CB 4.22Å; L297-A319 HydrophobicContact CD1-CB 3.83Å; L297-A319 HydrophobicContact CG-CB 4.43Å; I301-A319 HydrophobicContact CD1-CB 3.87Å; I301-A319 HydrophobicContact CG1-CB 3.6Å; E315-A319 WeakPolarHBondContact O-CB 3.47Å; E315-A319 PolarHBondContact O-N 3.21Å; G316-A319 PolarHBondContact O-N 2.8Å; A319-F322 PolarHBondContact O-N 2.75Å; A319-L323 PolarHBondContact O-N 3.45Å
320E94.1Very high91.9Very high78 Ų7854.4 Ų54.436%0.36432%0.322SS..Hα-helixtrans-65.1-42.4174.5-176.6168.4-126.300111.8I301 K305 G316 I317 F322 L323 S324I301-E320 HydrophobicContact CD1-CB 4.37Å; I301-E320 HydrophobicContact CG2-CB 4.05Å; K305-E320 IonicContact NZ-OE1 2.72Å; K305-E320 PolarHBondContact NZ-OE1 2.98Å; K305-E320 IonicContact NZ-OE2 2.66Å; K305-E320 PolarHBondContact NZ-OE2 3.37Å; G316-E320 WeakPolarHBondContact O-CB 3.38Å; G316-E320 PolarHBondContact O-N 2.93Å; I317-E320 PolarHBondContact O-N 2.98Å; E320-F322 VanDerWaalsContact C-N 3.34Å; E320-F322 PolarHBondContact O-N 3.46Å; E320-L323 PolarHBondContact O-N 3.16Å; E320-S324 WeakPolarHBondContact O-CB 3.41Å; E320-S324 PolarHBondContact O-N 3.09Å
321Q94.6Very high92.3Very high130 Ų13050.2 Ų50.261%0.60729%0.292SS*.Hα-helixtrans-62.9-38.7174.1-175.9178.2-7.700111.8I317 V318 S324 S325I317-Q321 WeakPolarHBondContact O-CB 3.1Å; I317-Q321 PolarHBondContact O-N 3.04Å; V318-Q321 PolarHBondContact O-N 2.96Å; Q321-S324 PolarHBondContact O-N 3.26Å; Q321-S325 VanDerWaalsContact O-CB 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.36Å; Q321-S325 PolarHBondContact O-N 3.4Å; Q321-S325 PolarHBondContact O-OG 3.02Å
322F94.8Very high92.6Very high3 Ų349.6 Ų49.61%0.01329%0.285CS..Hα-helixtrans-60.5-51.3172.9167.8-106.3000111.9F250 W276 V278 I285 V289 L297 V318 A319 E320 S324 S325 T326F250-F322 AromaticContact CD1-CE1 3.68Å; F250-F322 HydrophobicContact CD1-CE1 3.68Å; F250-F322 AromaticContact CD1-CZ 3.89Å; F250-F322 HydrophobicContact CD1-CZ 3.89Å; F250-F322 AromaticContact CE1-CE1 3.86Å; F250-F322 HydrophobicContact CE1-CE1 3.86Å; F250-F322 HydrophobicContact CE1-CZ 4.41Å; F250-F322 HydrophobicContact CG-CE1 4.08Å; F250-F322 HydrophobicContact CG-CZ 4.35Å; F250-F322 HydrophobicContact CZ-CE1 4.41Å; W276-F322 AromaticContact NE1-CZ 3.81Å; V278-F322 HydrophobicContact CG2-CD2 4.4Å; V278-F322 HydrophobicContact CG2-CE1 3.98Å; V278-F322 HydrophobicContact CG2-CE2 3.82Å; V278-F322 HydrophobicContact CG2-CZ 3.58Å; I285-F322 HydrophobicContact CD1-CB 4.47Å; I285-F322 HydrophobicContact CD1-CD2 4.46Å; I285-F322 HydrophobicContact CG2-CB 3.76Å; I285-F322 HydrophobicContact CG2-CD1 4.45Å; I285-F322 HydrophobicContact CG2-CD2 3.7Å; I285-F322 HydrophobicContact CG2-CE2 4.45Å; I285-F322 HydrophobicContact CG2-CG 3.7Å; V289-F322 HydrophobicContact CG2-CD1 3.79Å; V289-F322 HydrophobicContact CG2-CE1 4.21Å; V289-F322 HydrophobicContact CG2-CG 4.32Å; L297-F322 HydrophobicContact CD2-CD1 4.34Å; V318-F322 PolarHBondContact O-N 3.18Å; A319-F322 PolarHBondContact O-N 2.75Å; E320-F322 VanDerWaalsContact C-N 3.34Å; E320-F322 PolarHBondContact O-N 3.46Å; F322-S324 VanDerWaalsContact C-N 3.33Å; F322-S324 PolarHBondContact O-N 2.84Å; F322-S325 PolarHBondContact O-N 2.95Å; F322-S325 PolarHBondContact O-OG 3.21Å; F322-T326 HydrophobicContact CD2-CG2 3.95Å; F322-T326 HydrophobicContact CE2-CG2 3.78Å; F322-T326 WeakPolarHBondContact O-CB 3.25Å; F322-T326 PolarHBondContact O-N 3.15Å; F322-T326 PolarHBondContact O-OG1 3.45Å
323L94.5Very high93Very high27 Ų2748.2 Ų48.214%0.14128%0.276CS..Hα-helixtrans-61.2-41178.3-70-178.4000112F250 W276 Y294 L297 V298 I301 A319 E320 A327F250-L323 HydrophobicContact CE1-CD2 4.28Å; F250-L323 HydrophobicContact CZ-CD2 4.08Å; W276-L323 HydrophobicContact CH2-CD2 3.87Å; W276-L323 HydrophobicContact CZ2-CD2 3.46Å; W276-L323 VanDerWaalsContact CZ2-CD2 3.46Å; Y294-L323 HydrophobicContact CD2-CD2 3.99Å; Y294-L323 HydrophobicContact CE2-CD1 4.29Å; Y294-L323 HydrophobicContact CE2-CD2 4.12Å; L297-L323 HydrophobicContact CD2-CD1 4.2Å; L297-L323 HydrophobicContact CD2-CD2 3.97Å; L297-L323 HydrophobicContact CD2-CG 4.05Å; L297-L323 HydrophobicContact CG-CD1 4.48Å; V298-L323 HydrophobicContact CG2-CD1 4.07Å; I301-L323 HydrophobicContact CD1-CD1 3.53Å; I301-L323 HydrophobicContact CD1-CG 4.36Å; A319-L323 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 3.16Å; L323-A327 PolarHBondContact O-N 2.83Å
324S93.9Very high93.4Very high93 Ų9347 Ų4765%0.6527%0.266SS*.Hα-helixtrans-66.9-41.2177.8177.60000113.1E320 Q321 F322E320-S324 WeakPolarHBondContact O-CB 3.41Å; E320-S324 PolarHBondContact O-N 3.09Å; Q321-S324 PolarHBondContact O-N 3.26Å; F322-S324 VanDerWaalsContact C-N 3.33Å; F322-S324 PolarHBondContact O-N 2.84Å
325S93.1Very high93.6Very high86 Ų8646.1 Ų46.160%0.60125%0.254SS*.Hα-helixtrans-79.4-17.3-179.555.40000113.9Q321 F322Q321-S325 VanDerWaalsContact O-CB 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.36Å; Q321-S325 PolarHBondContact O-N 3.4Å; Q321-S325 PolarHBondContact O-OG 3.02Å; F322-S325 PolarHBondContact O-N 2.95Å; F322-S325 PolarHBondContact O-OG 3.21Å
326T93.1Very high93.8Very high17 Ų1748.2 Ų48.210%0.10427%0.272CS..THydrogen-bonded Turntrans-114.524.5179.1630000113.2W276 F322 T328 Q329 T331W276-T326 PolarHBondContact NE1-OG1 2.7Å; F322-T326 HydrophobicContact CD2-CG2 3.95Å; F322-T326 HydrophobicContact CE2-CG2 3.78Å; F322-T326 WeakPolarHBondContact O-CB 3.25Å; F322-T326 PolarHBondContact O-N 3.15Å; F322-T326 PolarHBondContact O-OG1 3.45Å; T326-T328 PolarHBondContact O-N 2.91Å; T326-Q329 PolarHBondContact O-N 3.11Å; T326-T331 HydrophobicContact CG2-CG2 3.63Å
327A91.4Very high94Very high61 Ų6151.9 Ų51.950%0.50429%0.289SS..THydrogen-bonded Turntrans-57.3-19.8-175.800000115L323 Q329L323-A327 PolarHBondContact O-N 2.83Å; A327-Q329 PolarHBondContact O-N 3.04Å
328T90.8Very high94.1Very high64 Ų6447.3 Ų47.339%0.39327%0.265SS..THydrogen-bonded Turntrans-73.3-0.8172.557.70000114.2T326 L330 R352T326-T328 PolarHBondContact O-N 2.91Å; T328-L330 PolarHBondContact O-N 2.88Å; T328-R352 WeakPolarHBondContact O-CG 3.37Å; T328-R352 PolarHBondContact O-NE 3.18Å
329Q94.5Very high94.2Very high19 Ų1947.4 Ų47.49%0.08927%0.266CS..SBendtrans57.426.9179.1-51.6-179.8-5.600114.3W276 T326 A327 N353 N354W276-Q329 WeakPolarHBondContact CB-O 3.35Å; W276-Q329 HydrophobicContact CD2-CB 4.07Å; W276-Q329 HydrophobicContact CD2-CG 4.19Å; W276-Q329 HydrophobicContact CE3-CB 3.9Å; W276-Q329 HydrophobicContact CE3-CG 3.73Å; W276-Q329 HydrophobicContact CG-CB 4.37Å; W276-Q329 HydrophobicContact CH2-CG 4.21Å; W276-Q329 HydrophobicContact CZ3-CB 4.46Å; W276-Q329 HydrophobicContact CZ3-CG 3.77Å; W276-Q329 PolarHBondContact N-O 3.26Å; T326-Q329 PolarHBondContact O-N 3.11Å; A327-Q329 PolarHBondContact O-N 3.04Å; Q329-N353 VanDerWaalsContact OE1-CA 3.31Å; Q329-N354 PolarHBondContact NE2-OD1 3.05Å; Q329-N354 VanDerWaalsContact OE1-N 3.1Å
330L95.1Very high94.2Very high4 Ų451.7 Ų51.72%0.02130%0.296CS..BIsolated β-bridgetrans-143.4131.9176.3177.160000109.4T328 L335 L338 F350 R352 L386 V389T328-L330 PolarHBondContact O-N 2.88Å; L330-L335 HydrophobicContact CD1-CB 4.23Å; L330-L338 HydrophobicContact CD1-CD1 4.35Å; L330-F350 HydrophobicContact CD1-CZ 4.33Å; L330-R352 HydrophobicContact CB-CG 4.36Å; L330-L386 HydrophobicContact CD2-CD1 3.9Å; L330-V389 HydrophobicContact CG-CB 4.48Å; L330-V389 HydrophobicContact CG-CG1 4.17Å
331T94.9Very high94.2Very high17 Ų1750.6 Ų50.610%0.10429%0.294CS..  trans-119.8154.4176.4670000111G275 L277 T326 H333 G334 L335G275-T331 PolarHBondContact O-N 2.68Å; G275-T331 PolarHBondContact O-OG1 3.23Å; L277-T331 PolarHBondContact N-OG1 2.99Å; L277-T331 WeakPolarHBondContact O-CB 3.45Å; L277-T331 VanDerWaalsContact O-CG2 3.25Å; L277-T331 WeakPolarHBondContact O-CG2 3.38Å; L277-T331 PolarHBondContact O-OG1 2.9Å; T326-T331 HydrophobicContact CG2-CG2 3.63Å; T331-H333 VanDerWaalsContact C-N 3.29Å; T331-H333 PolarHBondContact O-N 3.3Å; T331-G334 CarbonylContact O-C 3.4Å; T331-G334 WeakPolarHBondContact O-CA 3.46Å; T331-G334 PolarHBondContact O-N 3.44Å; T331-G334 VanDerWaalsContact O-N 3.09Å; T331-G334 PolarHBondContact OG1-N 3.16Å; T331-G334 VanDerWaalsContact OG1-N 3.16Å; T331-L335 PolarHBondContact O-N 3.23Å
332Y93.5Very high94.3Very high136 Ų13644.5 Ų44.553%0.53327%0.266SS..Hα-helixtrans-57.1-42.8177.2-73.8-82.9000112L335 C336 N388 V389Y332-L335 PolarHBondContact O-N 3.27Å; Y332-C336 PolarHBondContact O-N 3.1Å; Y332-C336 PolarHBondContact O-SG 2.88Å; Y332-C336 VanDerWaalsContact O-SG 3.4Å; Y332-N388 WeakPolarHBondContact CE1-OD1 3.43Å; Y332-N388 PolarHBondContact OH-OD1 3.01Å; Y332-N388 VanDerWaalsContact OH-OD1 3.07Å; Y332-V389 HydrophobicContact CD1-CG1 4.03Å; Y332-V389 HydrophobicContact CD2-CG1 3.89Å; Y332-V389 HydrophobicContact CD2-CG2 4.2Å; Y332-V389 HydrophobicContact CE1-CG1 4.13Å; Y332-V389 HydrophobicContact CE1-CG2 4.34Å; Y332-V389 HydrophobicContact CE2-CB 4.4Å; Y332-V389 HydrophobicContact CE2-CG1 3.97Å; Y332-V389 HydrophobicContact CE2-CG2 3.48Å; Y332-V389 VanDerWaalsContact CE2-CG2 3.48Å; Y332-V389 HydrophobicContact CG-CG1 3.92Å
333H95.1Very high94.3Very high44 Ų4450.4 Ų50.420%0.20429%0.294CS..Hα-helixtrans-58.5-47.9172.7179.8-106.2000111.8V278 D279 P280 T331 L335 C336 E337V278-H333 PolarHBondContact O-ND1 3.15Å; V278-H333 VanDerWaalsContact O-ND1 3.11Å; D279-H333 HydrophobicContact CB-CB 4.11Å; P280-H333 WeakPolarHBondContact CD-CE1 3.46Å; P280-H333 VanDerWaalsContact CD-NE2 3.26Å; P280-H333 WeakPolarHBondContact CD-NE2 3.45Å; T331-H333 VanDerWaalsContact C-N 3.29Å; T331-H333 PolarHBondContact O-N 3.3Å; H333-L335 VanDerWaalsContact C-N 3.32Å; H333-L335 PolarHBondContact O-N 2.9Å; H333-C336 PolarHBondContact O-N 3Å; H333-E337 PolarHBondContact O-N 2.89Å
334G95.4Very high94.4Very high0 Ų054.1 Ų54.10%031%0.31CS..Hα-helixtrans-61.1-36.4175.800000113.8T331 E337 L338T331-G334 CarbonylContact O-C 3.4Å; T331-G334 WeakPolarHBondContact O-CA 3.46Å; T331-G334 PolarHBondContact O-N 3.44Å; T331-G334 VanDerWaalsContact O-N 3.09Å; T331-G334 PolarHBondContact OG1-N 3.16Å; T331-G334 VanDerWaalsContact OG1-N 3.16Å; G334-E337 PolarHBondContact O-N 3.44Å; G334-L338 WeakPolarHBondContact O-CB 3.26Å; G334-L338 WeakPolarHBondContact O-CG 3.47Å; G334-L338 PolarHBondContact O-N 3.12Å
335L94.3Very high94.3Very high13 Ų1351.1 Ų51.17%0.06829%0.294CS..Hα-helixtrans-67.6-39.5176.2-174.560.1000112.2L330 T331 Y332 H333 T339 L366 L386L330-L335 HydrophobicContact CD1-CB 4.23Å; T331-L335 PolarHBondContact O-N 3.23Å; Y332-L335 PolarHBondContact O-N 3.27Å; H333-L335 VanDerWaalsContact C-N 3.32Å; H333-L335 PolarHBondContact O-N 2.9Å; L335-T339 WeakPolarHBondContact O-CB 3.49Å; L335-T339 PolarHBondContact O-N 3.46Å; L335-T339 PolarHBondContact O-OG1 3.48Å; L335-L366 HydrophobicContact CD1-CD1 4.03Å; L335-L386 HydrophobicContact CD1-CD2 4.22Å; L335-L386 HydrophobicContact CD1-CG 3.94Å
336C94.3Very high94.4Very high80 Ų8048.5 Ų48.554%0.54127%0.273SS..Hα-helixtrans-66-42.5173.2-67.40000112.2Y332 H333 T339 S340Y332-C336 PolarHBondContact O-N 3.1Å; Y332-C336 PolarHBondContact O-SG 2.88Å; Y332-C336 VanDerWaalsContact O-SG 3.4Å; H333-C336 PolarHBondContact O-N 3Å; C336-T339 PolarHBondContact O-N 2.87Å; C336-S340 WeakPolarHBondContact O-CB 3.41Å; C336-S340 PolarHBondContact O-N 3.42Å; C336-S340 PolarHBondContact O-OG 3Å
337E95.4Very high94.5Very high79 Ų7949 Ų4937%0.36927%0.274SS..Hα-helixtrans-65.8-41175.7-79.9-64.2138.800112.3V253 L277 H333 G334 S340 T341V253-E337 HydrophobicContact CG1-CB 3.69Å; L277-E337 HydrophobicContact CD1-CB 3.96Å; L277-E337 HydrophobicContact CD1-CG 4.02Å; H333-E337 PolarHBondContact O-N 2.89Å; G334-E337 PolarHBondContact O-N 3.44Å; E337-S340 PolarHBondContact O-N 2.86Å; E337-T341 WeakPolarHBondContact O-CB 3.27Å; E337-T341 PolarHBondContact O-N 3.41Å; E337-T341 PolarHBondContact O-OG1 2.87Å
338L95.8Very high94.8Very high0 Ų046.1 Ų46.10%025%0.25CS..Hα-helixtrans-59.7-50.4172.3-77.4167.4000111V253 Y273 L330 G334 S340 T341 V342 F350 M359 L366V253-L338 HydrophobicContact CB-CD2 3.75Å; V253-L338 HydrophobicContact CB-CG 4.19Å; V253-L338 HydrophobicContact CG1-CD2 3.97Å; V253-L338 HydrophobicContact CG1-CG 3.82Å; V253-L338 HydrophobicContact CG2-CD2 4.29Å; Y273-L338 HydrophobicContact CD1-CD2 3.93Å; Y273-L338 HydrophobicContact CG-CD2 4.15Å; L330-L338 HydrophobicContact CD1-CD1 4.35Å; G334-L338 WeakPolarHBondContact O-CB 3.26Å; G334-L338 WeakPolarHBondContact O-CG 3.47Å; G334-L338 PolarHBondContact O-N 3.12Å; L338-S340 PolarHBondContact O-N 3.1Å; L338-T341 PolarHBondContact O-N 3.07Å; L338-V342 WeakPolarHBondContact O-CB 3.35Å; L338-V342 VanDerWaalsContact O-CG2 3.3Å; L338-V342 WeakPolarHBondContact O-CG2 3.25Å; L338-V342 PolarHBondContact O-N 3.46Å; L338-F350 HydrophobicContact CD1-CD2 4.33Å; L338-F350 HydrophobicContact CD1-CE2 3.62Å; L338-F350 HydrophobicContact CD1-CZ 4.29Å; L338-M359 HydrophobicContact CD2-CE 4.43Å; L338-L366 HydrophobicContact CB-CD1 3.74Å
339T94.9Very high95.1Very high43 Ų4343 Ų4326%0.26423%0.232SC..Hα-helixtrans-61.4-29.4-179.8-55.70000111.5L335 C336 K361 G364L335-T339 WeakPolarHBondContact O-CB 3.49Å; L335-T339 PolarHBondContact O-N 3.46Å; L335-T339 PolarHBondContact O-OG1 3.48Å; C336-T339 PolarHBondContact O-N 2.87Å; T339-K361 WeakPolarHBondContact O-CE 3.38Å; T339-K361 PolarHBondContact O-NZ 2.99Å; T339-G364 WeakPolarHBondContact CG2-O 3.34Å
340S94.8Very high95.2Very high91 Ų9142.2 Ų42.264%0.63623%0.228SC*.Hα-helixtrans-81.4-38.7176-56.70000113.1C336 E337 L338C336-S340 WeakPolarHBondContact O-CB 3.41Å; C336-S340 PolarHBondContact O-N 3.42Å; C336-S340 PolarHBondContact O-OG 3Å; E337-S340 PolarHBondContact O-N 2.86Å; L338-S340 PolarHBondContact O-N 3.1Å
341T95.3Very high95.2Very high55 Ų5542.7 Ų42.734%0.33723%0.23SC..Hα-helixtrans-85-39.2-171.4-57.60000114V253 Y273 E337 L338V253-T341 HydrophobicContact CG2-CG2 3.86Å; Y273-T341 HydrophobicContact CE1-CG2 3.91Å; E337-T341 WeakPolarHBondContact O-CB 3.27Å; E337-T341 PolarHBondContact O-N 3.41Å; E337-T341 PolarHBondContact O-OG1 2.87Å; L338-T341 PolarHBondContact O-N 3.07Å
342V95.4Very high95.1Very high2 Ų244 Ų441%0.01223%0.232CC..SBendtrans-67.1139.1-179.3178.50000109.5Y273 L338 E346 M359 K361 L366Y273-V342 HydrophobicContact CD1-CG2 4.27Å; Y273-V342 HydrophobicContact CD2-CG2 4.18Å; Y273-V342 HydrophobicContact CE1-CG2 3.99Å; Y273-V342 HydrophobicContact CE2-CG2 3.91Å; Y273-V342 HydrophobicContact CG-CG2 4.36Å; L338-V342 WeakPolarHBondContact O-CB 3.35Å; L338-V342 VanDerWaalsContact O-CG2 3.3Å; L338-V342 WeakPolarHBondContact O-CG2 3.25Å; L338-V342 PolarHBondContact O-N 3.46Å; V342-E346 HydrophobicContact CG1-CB 4.41Å; V342-M359 HydrophobicContact CG2-CE 3.9Å; V342-K361 HydrophobicContact CB-CB 4.48Å; V342-K361 HydrophobicContact CB-CD 4.17Å; V342-K361 HydrophobicContact CG1-CB 3.76Å; V342-K361 HydrophobicContact CG1-CD 4.23Å; V342-K361 WeakPolarHBondContact O-CD 3.27Å; V342-K361 WeakPolarHBondContact O-CE 3.39Å; V342-K361 PolarHBondContact O-NZ 3.33Å; V342-L366 HydrophobicContact CB-CD2 4.26Å; V342-L366 HydrophobicContact CG1-CD2 4.4Å; V342-L366 HydrophobicContact CG2-CD2 4.39Å
343Q95.1Very high95Very high128 Ų12842.5 Ų42.560%0.59823%0.234SC*.PPolyproline II helixtrans-82.3148.4-179.4-61.2178.877.300111.7G345 E346Q343-G345 PolarHBondContact O-N 2.9Å; Q343-E346 HydrophobicContact CB-CB 3.9Å; Q343-E346 HydrophobicContact CB-CG 4.45Å; Q343-E346 PolarHBondContact N-OE2 3.48Å; Q343-E346 PolarHBondContact NE2-OE1 3.21Å; Q343-E346 VanDerWaalsContact O-CB 3.23Å; Q343-E346 WeakPolarHBondContact O-CB 3.43Å; Q343-E346 PolarHBondContact O-N 3.07Å; Q343-E346 VanDerWaalsContact O-N 3.11Å
344E95.9Very high94.7Very high105 Ų10546 Ų4649%0.49125%0.254SS..THydrogen-bonded Turntrans-65.5117.8-179.2178.964.8-153.600110.6Y362 K363 G364E344-Y362 WeakPolarHBondContact OE1-CA 3.26Å; E344-K363 PolarHBondContact OE1-N 2.84Å; E344-K363 PolarHBondContact OE2-N 2.87Å; E344-G364 PolarHBondContact OE2-N 3.39Å
345G93.4Very high94.5Very high30 Ų3048.2 Ų48.231%0.30926%0.264SS..THydrogen-bonded Turntrans83.63.9-174.900000116.1Q343 K361Q343-G345 PolarHBondContact O-N 2.9Å; G345-K361 WeakPolarHBondContact CA-O 3.48Å; G345-K361 PolarHBondContact N-O 3.05Å
346E94.7Very high94.4Very high31 Ų3147.9 Ų47.915%0.14526%0.262CS..  trans-73.7123.9177.3-175175.1-125.200111.3P271 V342 Q343 I360P271-E346 HydrophobicContact CG-CG 4.48Å; V342-E346 HydrophobicContact CG1-CB 4.41Å; Q343-E346 HydrophobicContact CB-CB 3.9Å; Q343-E346 HydrophobicContact CB-CG 4.45Å; Q343-E346 PolarHBondContact N-OE2 3.48Å; Q343-E346 PolarHBondContact NE2-OE1 3.21Å; Q343-E346 VanDerWaalsContact O-CB 3.23Å; Q343-E346 WeakPolarHBondContact O-CB 3.43Å; Q343-E346 PolarHBondContact O-N 3.07Å; Q343-E346 VanDerWaalsContact O-N 3.11Å; E346-I360 WeakPolarHBondContact O-CA 3.46Å; E346-I360 WeakPolarHBondContact O-CG1 3.38Å
347L95.9Very high94.4Very high27 Ų2745 Ų4514%0.14124%0.244CC..EExtended strand (participates in β ladder)trans-87126.2170.2-75.8163.4000109V181 L184 A185 T358 I360 W383V181-L347 HydrophobicContact CG1-CB 4.11Å; V181-L347 HydrophobicContact CG2-CB 4.49Å; L184-L347 HydrophobicContact CB-CD1 3.66Å; L184-L347 HydrophobicContact CB-CD2 4.12Å; L184-L347 HydrophobicContact CD1-CD2 3.99Å; A185-L347 HydrophobicContact CB-CD1 4.19Å; L347-T358 HydrophobicContact CD2-CG2 4.29Å; L347-I360 HydrophobicContact CD2-CB 4.11Å; L347-I360 HydrophobicContact CD2-CD1 4.04Å; L347-I360 HydrophobicContact CD2-CG1 4.22Å; L347-I360 HydrophobicContact CG-CD1 4.27Å; L347-I360 HydrophobicContact CG-CG1 4.49Å; L347-W383 HydrophobicContact CD2-CH2 4.23Å
348C96.6Very high94.5Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-145.2173.2-175.857.50000111.1P271 Y273 M359P271-C348 HydrophobicContact CB-CB 3.97Å; P271-C348 HydrophobicContact CG-CB 4.4Å; P271-C348 WeakPolarHBondContact O-CB 3.28Å; Y273-C348 HydrophobicContact CD2-CB 3.78Å; Y273-C348 HydrophobicContact CE2-CB 3.89Å; C348-M359 PolarHBondContact N-O 3.31Å; C348-M359 PolarHBondContact O-N 3.12Å; C348-M359 VanDerWaalsContact SG-CE 3.52Å; C348-M359 PolarHBondContact SG-O 3.2Å; C348-M359 VanDerWaalsContact SG-O 3.4Å
349V96.8Very high94.6Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-107.1134.6172.71780000109.4A177 V181 F265 I270 P271 L272 Y273 F356A177-V349 HydrophobicContact CB-CG1 3.92Å; A177-V349 HydrophobicContact CB-CG2 4.05Å; V181-V349 HydrophobicContact CG2-CG2 4.07Å; F265-V349 HydrophobicContact CE1-CB 4.01Å; F265-V349 HydrophobicContact CE1-CG1 4.09Å; F265-V349 HydrophobicContact CE1-CG2 4.09Å; I270-V349 HydrophobicContact CG2-CG2 3.85Å; P271-V349 PolarHBondContact O-N 3.32Å; L272-V349 WeakPolarHBondContact CA-O 3.18Å; L272-V349 HydrophobicContact CD1-CB 3.99Å; L272-V349 HydrophobicContact CD1-CG1 3.76Å; Y273-V349 PolarHBondContact N-O 3.33Å; V349-F356 HydrophobicContact CG1-CB 4.06Å; V349-F356 HydrophobicContact CG1-CD1 3.89Å; V349-F356 HydrophobicContact CG1-CG 4.48Å
350F96.4Very high94.7Very high1 Ų139.4 Ų39.40%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-114.9125.5-179.9175.6-120.5000110.3Y273 L330 L338 R352 F356 S357 M359 L368 L386Y273-F350 CarbonylContact O-C 3.59Å; Y273-F350 WeakPolarHBondContact O-CA 3.45Å; L330-F350 HydrophobicContact CD1-CZ 4.33Å; L338-F350 HydrophobicContact CD1-CD2 4.33Å; L338-F350 HydrophobicContact CD1-CE2 3.62Å; L338-F350 HydrophobicContact CD1-CZ 4.29Å; F350-R352 HydrophobicContact CD1-CB 4.22Å; F350-R352 HydrophobicContact CE1-CB 3.55Å; F350-R352 HydrophobicContact CE1-CG 4.23Å; F350-R352 HydrophobicContact CZ-CB 3.78Å; F350-R352 HydrophobicContact CZ-CG 4.33Å; F350-F356 WeakPolarHBondContact O-CA 3.47Å; F350-S357 PolarHBondContact N-O 2.9Å; F350-S357 PolarHBondContact O-N 3.04Å; F350-M359 HydrophobicContact CB-CB 3.84Å; F350-M359 HydrophobicContact CB-CE 4.06Å; F350-M359 HydrophobicContact CB-CG 4.49Å; F350-M359 HydrophobicContact CB-SD 3.96Å; F350-M359 HydrophobicContact CD2-CE 4.3Å; F350-M359 HydrophobicContact CD2-SD 4.26Å; F350-M359 HydrophobicContact CG-CE 4.39Å; F350-M359 HydrophobicContact CG-SD 4.02Å; F350-L368 HydrophobicContact CB-CD2 4.24Å; F350-L368 HydrophobicContact CD1-CD1 4.17Å; F350-L368 HydrophobicContact CD1-CD2 3.63Å; F350-L368 HydrophobicContact CE1-CD1 4.33Å; F350-L368 HydrophobicContact CE1-CD2 4.39Å; F350-L368 HydrophobicContact CG-CD2 4.27Å; F350-L386 HydrophobicContact CD1-CD2 4.25Å; F350-L386 HydrophobicContact CE1-CD2 3.75Å; F350-L386 HydrophobicContact CZ-CD2 3.97Å
351F95.1Very high94.7Very high15 Ų1536.3 Ų36.37%0.06619%0.189CC..EExtended strand (participates in β ladder)trans-98.3124175.5178.8-102.4000111.1V246 V248 Y273 H355 F356V246-F351 HydrophobicContact CG2-CD1 3.98Å; V246-F351 HydrophobicContact CG2-CD2 3.74Å; V246-F351 HydrophobicContact CG2-CE1 3.83Å; V246-F351 HydrophobicContact CG2-CE2 3.56Å; V246-F351 HydrophobicContact CG2-CG 3.94Å; V246-F351 HydrophobicContact CG2-CZ 3.6Å; V248-F351 HydrophobicContact CG1-CD1 4.15Å; V248-F351 HydrophobicContact CG1-CE1 4.36Å; Y273-F351 PolarHBondContact O-N 3.21Å; F351-H355 WeakPolarHBondContact CA-O 3.37Å; F351-F356 HydrophobicContact CB-CD1 4.28Å; F351-F356 HydrophobicContact CB-CE1 4.13Å; F351-F356 AromaticContact CD2-CD1 3.99Å; F351-F356 HydrophobicContact CD2-CD1 3.99Å; F351-F356 AromaticContact CD2-CD2 3.99Å; F351-F356 HydrophobicContact CD2-CD2 3.99Å; F351-F356 AromaticContact CD2-CE1 3.6Å; F351-F356 HydrophobicContact CD2-CE1 3.6Å; F351-F356 AromaticContact CD2-CE2 3.59Å; F351-F356 HydrophobicContact CD2-CE2 3.59Å; F351-F356 HydrophobicContact CD2-CG 4.18Å; F351-F356 AromaticContact CD2-CZ 3.38Å; F351-F356 HydrophobicContact CD2-CZ 3.38Å; F351-F356 HydrophobicContact CE2-CD2 4.37Å; F351-F356 HydrophobicContact CE2-CE1 4.42Å; F351-F356 AromaticContact CE2-CE2 3.73Å; F351-F356 HydrophobicContact CE2-CE2 3.73Å; F351-F356 AromaticContact CE2-CZ 3.76Å; F351-F356 HydrophobicContact CE2-CZ 3.76Å; F351-F356 HydrophobicContact CG-CE1 4.21Å; F351-F356 HydrophobicContact CG-CZ 4.32Å
352R93.4Very high94.7Very high43 Ų4337 Ų3716%0.16219%0.186CC..EExtended strand (participates in β ladder)trans-157.3138.9177-179.7-174.5174-163-3110.8T328 L330 F350 N354 H355 V389T328-R352 WeakPolarHBondContact O-CG 3.37Å; T328-R352 PolarHBondContact O-NE 3.18Å; L330-R352 HydrophobicContact CB-CG 4.36Å; F350-R352 HydrophobicContact CD1-CB 4.22Å; F350-R352 HydrophobicContact CE1-CB 3.55Å; F350-R352 HydrophobicContact CE1-CG 4.23Å; F350-R352 HydrophobicContact CZ-CB 3.78Å; F350-R352 HydrophobicContact CZ-CG 4.33Å; R352-N354 VanDerWaalsContact C-N 3.27Å; R352-N354 PolarHBondContact O-N 3.06Å; R352-H355 PolarHBondContact N-O 2.83Å; R352-H355 WeakPolarHBondContact O-CA 3.43Å; R352-H355 WeakPolarHBondContact O-CB 3.35Å; R352-H355 PolarHBondContact O-N 3.48Å; R352-V389 PolarHBondContact NH2-O 3.27Å
353N90.6Very high94.6Very high106 Ų10644 Ų4457%0.56722%0.216SC*.THydrogen-bonded Turntrans51.244.6176.6-167.142.8000112.8Q329 H355Q329-N353 VanDerWaalsContact OE1-CA 3.31Å; N353-H355 PolarHBondContact O-N 2.97Å; N353-H355 VanDerWaalsContact O-N 3.12Å
354N89.1Confident94.4Very high117 Ų11739.5 Ų39.563%0.62621%0.205SC*.THydrogen-bonded Turntrans59.214.6-174.3-53.3-21.5000115.3Q329 R352Q329-N354 PolarHBondContact NE2-OD1 3.05Å; Q329-N354 VanDerWaalsContact OE1-N 3.1Å; R352-N354 VanDerWaalsContact C-N 3.27Å; R352-N354 PolarHBondContact O-N 3.06Å
355H91Very high94.2Very high46 Ų4639.6 Ų39.621%0.21321%0.205CC..EExtended strand (participates in β ladder)trans-110.6149.6176.5-165.3-93.7000111.3C173 F351 R352 N353 S357C173-H355 VanDerWaalsContact CB-NE2 3.33Å; C173-H355 WeakPolarHBondContact CB-NE2 3.38Å; F351-H355 WeakPolarHBondContact CA-O 3.37Å; R352-H355 PolarHBondContact N-O 2.83Å; R352-H355 WeakPolarHBondContact O-CA 3.43Å; R352-H355 WeakPolarHBondContact O-CB 3.35Å; R352-H355 PolarHBondContact O-N 3.48Å; N353-H355 PolarHBondContact O-N 2.97Å; N353-H355 VanDerWaalsContact O-N 3.12Å; H355-S357 PolarHBondContact ND1-OG 2.85Å
356F93.6Very high94.3Very high6 Ų638.2 Ų38.23%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-111.5120172.2-66.7-97000109.1C173 P174 A177 L244 V246 L272 V349 F350 F351C173-F356 HydrophobicContact CB-CB 4.5Å; C173-F356 PolarHBondContact SG-N 3.09Å; P174-F356 HydrophobicContact CB-CD2 4.25Å; P174-F356 HydrophobicContact CB-CG 4.41Å; P174-F356 HydrophobicContact CG-CD2 3.76Å; P174-F356 HydrophobicContact CG-CE2 4.04Å; P174-F356 HydrophobicContact CG-CG 4.37Å; A177-F356 HydrophobicContact CB-CB 4.09Å; L244-F356 HydrophobicContact CB-CE2 3.85Å; L244-F356 HydrophobicContact CB-CZ 3.93Å; L244-F356 HydrophobicContact CD2-CD1 4.23Å; L244-F356 HydrophobicContact CD2-CE1 3.54Å; L244-F356 HydrophobicContact CD2-CE2 4.06Å; L244-F356 HydrophobicContact CD2-CZ 3.43Å; L244-F356 VanDerWaalsContact CD2-CZ 3.43Å; L244-F356 HydrophobicContact CG-CE1 4.26Å; L244-F356 HydrophobicContact CG-CE2 4.11Å; L244-F356 HydrophobicContact CG-CZ 3.64Å; V246-F356 HydrophobicContact CB-CZ 4.44Å; V246-F356 HydrophobicContact CG1-CE1 4.16Å; V246-F356 HydrophobicContact CG1-CZ 3.88Å; V246-F356 HydrophobicContact CG2-CE1 4.28Å; V246-F356 HydrophobicContact CG2-CZ 3.68Å; L272-F356 HydrophobicContact CD1-CD1 4.09Å; L272-F356 HydrophobicContact CD1-CE1 4.06Å; V349-F356 HydrophobicContact CG1-CB 4.06Å; V349-F356 HydrophobicContact CG1-CD1 3.89Å; V349-F356 HydrophobicContact CG1-CG 4.48Å; F350-F356 WeakPolarHBondContact O-CA 3.47Å; F351-F356 HydrophobicContact CB-CD1 4.28Å; F351-F356 HydrophobicContact CB-CE1 4.13Å; F351-F356 AromaticContact CD2-CD1 3.99Å; F351-F356 HydrophobicContact CD2-CD1 3.99Å; F351-F356 AromaticContact CD2-CD2 3.99Å; F351-F356 HydrophobicContact CD2-CD2 3.99Å; F351-F356 AromaticContact CD2-CE1 3.6Å; F351-F356 HydrophobicContact CD2-CE1 3.6Å; F351-F356 AromaticContact CD2-CE2 3.59Å; F351-F356 HydrophobicContact CD2-CE2 3.59Å; F351-F356 HydrophobicContact CD2-CG 4.18Å; F351-F356 AromaticContact CD2-CZ 3.38Å; F351-F356 HydrophobicContact CD2-CZ 3.38Å; F351-F356 HydrophobicContact CE2-CD2 4.37Å; F351-F356 HydrophobicContact CE2-CE1 4.42Å; F351-F356 AromaticContact CE2-CE2 3.73Å; F351-F356 HydrophobicContact CE2-CE2 3.73Å; F351-F356 AromaticContact CE2-CZ 3.76Å; F351-F356 HydrophobicContact CE2-CZ 3.76Å; F351-F356 HydrophobicContact CG-CE1 4.21Å; F351-F356 HydrophobicContact CG-CZ 4.32Å
357S94.3Very high94.4Very high21 Ų2137.4 Ų37.415%0.14719%0.187CC..EExtended strand (participates in β ladder)trans-119.8140.7-179.6-59.10000110.6F350 H355 M359F350-S357 PolarHBondContact N-O 2.9Å; F350-S357 PolarHBondContact O-N 3.04Å; H355-S357 PolarHBondContact ND1-OG 2.85Å; S357-M359 PolarHBondContact O-N 2.92Å
358T96.8Very high94.4Very high1 Ų136.7 Ų36.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-66.9128.8167.6-56.80000109.2A177 N180 V181 L184 L347 L368 L369A177-T358 WeakPolarHBondContact CA-OG1 3.49Å; A177-T358 PolarHBondContact O-OG1 3.04Å; N180-T358 WeakPolarHBondContact CB-OG1 3.3Å; V181-T358 HydrophobicContact CG2-CG2 3.64Å; L184-T358 HydrophobicContact CD1-CG2 4.1Å; L347-T358 HydrophobicContact CD2-CG2 4.29Å; T358-L368 WeakPolarHBondContact O-CA 3.49Å; T358-L369 HydrophobicContact CG2-CB 4.32Å; T358-L369 HydrophobicContact CG2-CD2 4.37Å; T358-L369 PolarHBondContact O-N 3.11Å
359M96.9Very high94.4Very high0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-122.9145.4-179.2-177.1172.767.700110.9Y273 L338 V342 C348 F350 S357 L366 Y367 L368 L386Y273-M359 HydrophobicContact CD2-CE 4.35Å; Y273-M359 HydrophobicContact CG-CE 4.46Å; L338-M359 HydrophobicContact CD2-CE 4.43Å; V342-M359 HydrophobicContact CG2-CE 3.9Å; C348-M359 PolarHBondContact N-O 3.31Å; C348-M359 PolarHBondContact O-N 3.12Å; C348-M359 VanDerWaalsContact SG-CE 3.52Å; C348-M359 PolarHBondContact SG-O 3.2Å; C348-M359 VanDerWaalsContact SG-O 3.4Å; F350-M359 HydrophobicContact CB-CB 3.84Å; F350-M359 HydrophobicContact CB-CE 4.06Å; F350-M359 HydrophobicContact CB-CG 4.49Å; F350-M359 HydrophobicContact CB-SD 3.96Å; F350-M359 HydrophobicContact CD2-CE 4.3Å; F350-M359 HydrophobicContact CD2-SD 4.26Å; F350-M359 HydrophobicContact CG-CE 4.39Å; F350-M359 HydrophobicContact CG-SD 4.02Å; S357-M359 PolarHBondContact O-N 2.92Å; M359-L366 HydrophobicContact SD-CB 4.4Å; M359-L366 HydrophobicContact SD-CD1 4.26Å; M359-L366 HydrophobicContact SD-CD2 4.26Å; M359-Y367 CarbonylContact C-O 3.53Å; M359-Y367 VanDerWaalsContact CA-O 3.31Å; M359-Y367 WeakPolarHBondContact CA-O 3.4Å; M359-Y367 WeakPolarHBondContact CG-O 3.35Å; M359-L368 HydrophobicContact CB-CD2 3.74Å; M359-L368 HydrophobicContact CG-CD2 3.82Å; M359-L368 HydrophobicContact SD-CD2 4.12Å; M359-L386 HydrophobicContact SD-CD2 4.16Å
360I96.8Very high94.3Very high2 Ų237.5 Ų37.51%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-136.1149.7169.2-162.4177.4000110.4W157 E346 L347 Y367 W383 F400W157-I360 HydrophobicContact CH2-CD1 3.69Å; W157-I360 HydrophobicContact CZ2-CD1 4.08Å; E346-I360 WeakPolarHBondContact O-CA 3.46Å; E346-I360 WeakPolarHBondContact O-CG1 3.38Å; L347-I360 HydrophobicContact CD2-CB 4.11Å; L347-I360 HydrophobicContact CD2-CD1 4.04Å; L347-I360 HydrophobicContact CD2-CG1 4.22Å; L347-I360 HydrophobicContact CG-CD1 4.27Å; L347-I360 HydrophobicContact CG-CG1 4.49Å; I360-Y367 PolarHBondContact N-O 3.36Å; I360-Y367 PolarHBondContact O-N 3.5Å; I360-W383 HydrophobicContact CB-CH2 4.03Å; I360-W383 HydrophobicContact CB-CZ3 4.12Å; I360-W383 HydrophobicContact CG2-CD2 4.21Å; I360-W383 HydrophobicContact CG2-CE3 3.79Å; I360-W383 HydrophobicContact CG2-CH2 3.56Å; I360-W383 HydrophobicContact CG2-CZ2 3.97Å; I360-W383 HydrophobicContact CG2-CZ3 3.45Å; I360-W383 VanDerWaalsContact CG2-CZ3 3.45Å; I360-F400 HydrophobicContact CD1-CZ 4.28Å; I360-F400 HydrophobicContact CG2-CE1 3.61Å; I360-F400 HydrophobicContact CG2-CZ 3.66Å
361K96Very high94.2Very high27 Ų2738.2 Ų38.212%0.11719%0.192CC..EExtended strand (participates in β ladder)trans-100.5130.3168.2-178.9175.4167.7176.50110.6T339 V342 G345 Q365 L366T339-K361 WeakPolarHBondContact O-CE 3.38Å; T339-K361 PolarHBondContact O-NZ 2.99Å; V342-K361 HydrophobicContact CB-CB 4.48Å; V342-K361 HydrophobicContact CB-CD 4.17Å; V342-K361 HydrophobicContact CG1-CB 3.76Å; V342-K361 HydrophobicContact CG1-CD 4.23Å; V342-K361 WeakPolarHBondContact O-CD 3.27Å; V342-K361 WeakPolarHBondContact O-CE 3.39Å; V342-K361 PolarHBondContact O-NZ 3.33Å; G345-K361 WeakPolarHBondContact CA-O 3.48Å; G345-K361 PolarHBondContact N-O 3.05Å; K361-Q365 CarbonylContact C-O 3.6Å; K361-Q365 VanDerWaalsContact CA-O 3.32Å; K361-Q365 WeakPolarHBondContact CA-O 3.43Å; K361-L366 HydrophobicContact CB-CD2 3.91Å; K361-L366 HydrophobicContact CD-CD2 4.4Å; K361-L366 HydrophobicContact CG-CD2 4.17Å
362Y94.9Very high94Very high68 Ų6841.9 Ų41.927%0.26721%0.212SC..EExtended strand (participates in β ladder)trans-141.8131.7176.8-177.6-104.3000111.5E344 G364 Q365 Y367 F400E344-Y362 WeakPolarHBondContact OE1-CA 3.26Å; Y362-G364 PolarHBondContact O-N 2.89Å; Y362-Q365 PolarHBondContact N-O 2.84Å; Y362-Q365 PolarHBondContact O-N 3.34Å; Y362-Y367 HydrophobicContact CD1-CE2 4.44Å; Y362-F400 HydrophobicContact CD1-CB 3.38Å; Y362-F400 HydrophobicContact CD1-CD1 4.18Å; Y362-F400 AromaticContact CD1-CD2 3.38Å; Y362-F400 HydrophobicContact CD1-CD2 3.38Å; Y362-F400 HydrophobicContact CD1-CE2 4.2Å; Y362-F400 AromaticContact CD1-CG 3.36Å; Y362-F400 HydrophobicContact CD1-CG 3.36Å; Y362-F400 AromaticContact CD2-CD2 3.89Å; Y362-F400 HydrophobicContact CD2-CD2 3.89Å; Y362-F400 HydrophobicContact CD2-CE2 4Å; Y362-F400 HydrophobicContact CE1-CB 3.56Å; Y362-F400 AromaticContact CE1-CD2 3.62Å; Y362-F400 HydrophobicContact CE1-CD2 3.62Å; Y362-F400 AromaticContact CE1-CG 3.85Å; Y362-F400 HydrophobicContact CE1-CG 3.85Å; Y362-F400 HydrophobicContact CE2-CD2 4.12Å; Y362-F400 HydrophobicContact CE2-CE2 4.46Å; Y362-F400 HydrophobicContact CG-CB 4.29Å; Y362-F400 HydrophobicContact CG-CD1 4.35Å; Y362-F400 AromaticContact CG-CD2 3.5Å; Y362-F400 HydrophobicContact CG-CD2 3.5Å; Y362-F400 VanDerWaalsContact CG-CD2 3.5Å; Y362-F400 AromaticContact CG-CE2 3.85Å; Y362-F400 HydrophobicContact CG-CE2 3.85Å; Y362-F400 AromaticContact CG-CG 3.78Å; Y362-F400 HydrophobicContact CG-CG 3.78Å; Y362-F400 HydrophobicContact CG-CZ 4.41Å; Y362-F400 AromaticContact CZ-CD2 3.99Å
363K92.9Very high93.8Very high149 Ų14942.6 Ų42.665%0.64822%0.218SC*.THydrogen-bonded Turntrans49.735.2-173.7-67.7170.9178148.70113.1E344 Q365E344-K363 PolarHBondContact OE1-N 2.84Å; E344-K363 PolarHBondContact OE2-N 2.87Å; K363-Q365 VanDerWaalsContact C-N 3.28Å; K363-Q365 PolarHBondContact O-N 3.48Å
364G91.1Very high93.7Very high35 Ų3540.5 Ų40.536%0.36122%0.221SC..THydrogen-bonded Turntrans73.59.1-176.600000115.8T339 E344 Y362T339-G364 WeakPolarHBondContact CG2-O 3.34Å; E344-G364 PolarHBondContact OE2-N 3.39Å; Y362-G364 PolarHBondContact O-N 2.89Å
365Q92.6Very high93.7Very high106 Ų10637.4 Ų37.450%0.49520%0.202SC..EExtended strand (participates in β ladder)trans-108.3151.3171.4-63.6-177-1.500110.3K361 Y362 K363 Y367K361-Q365 CarbonylContact C-O 3.6Å; K361-Q365 VanDerWaalsContact CA-O 3.32Å; K361-Q365 WeakPolarHBondContact CA-O 3.43Å; Y362-Q365 PolarHBondContact N-O 2.84Å; Y362-Q365 PolarHBondContact O-N 3.34Å; K363-Q365 VanDerWaalsContact C-N 3.28Å; K363-Q365 PolarHBondContact O-N 3.48Å; Q365-Y367 HydrophobicContact CB-CE2 3.81Å; Q365-Y367 PolarHBondContact OE1-OH 2.92Å
366L95.6Very high93.6Very high2 Ų237.5 Ų37.51%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-94.8142.5176.4-61.7176.1000110.5L335 L338 V342 M359 K361 L386L335-L366 HydrophobicContact CD1-CD1 4.03Å; L338-L366 HydrophobicContact CB-CD1 3.74Å; V342-L366 HydrophobicContact CB-CD2 4.26Å; V342-L366 HydrophobicContact CG1-CD2 4.4Å; V342-L366 HydrophobicContact CG2-CD2 4.39Å; M359-L366 HydrophobicContact SD-CB 4.4Å; M359-L366 HydrophobicContact SD-CD1 4.26Å; M359-L366 HydrophobicContact SD-CD2 4.26Å; K361-L366 HydrophobicContact CB-CD2 3.91Å; K361-L366 HydrophobicContact CD-CD2 4.4Å; K361-L366 HydrophobicContact CG-CD2 4.17Å; L366-L386 HydrophobicContact CB-CB 4.05Å; L366-L386 HydrophobicContact CB-CD2 4.41Å; L366-L386 HydrophobicContact CD1-CD2 4.36Å; L366-L386 PolarHBondContact O-N 3.36Å
367Y96.1Very high93.3Very high13 Ų1343.3 Ų43.35%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-135.5136.5179.5-64.5-88.6000111M359 I360 Y362 Q365 W383 E384 F400M359-Y367 CarbonylContact C-O 3.53Å; M359-Y367 VanDerWaalsContact CA-O 3.31Å; M359-Y367 WeakPolarHBondContact CA-O 3.4Å; M359-Y367 WeakPolarHBondContact CG-O 3.35Å; I360-Y367 PolarHBondContact N-O 3.36Å; I360-Y367 PolarHBondContact O-N 3.5Å; Y362-Y367 HydrophobicContact CD1-CE2 4.44Å; Q365-Y367 HydrophobicContact CB-CE2 3.81Å; Q365-Y367 PolarHBondContact OE1-OH 2.92Å; Y367-W383 HydrophobicContact CD1-CB 4.16Å; Y367-W383 HydrophobicContact CG-CB 4.49Å; Y367-E384 CarbonylContact C-O 3.56Å; Y367-E384 VanDerWaalsContact CA-O 3.24Å; Y367-E384 WeakPolarHBondContact CA-O 3.33Å; Y367-F400 AromaticContact CD1-CD1 3.9Å; Y367-F400 HydrophobicContact CD1-CD1 3.9Å; Y367-F400 HydrophobicContact CD1-CE1 4.47Å; Y367-F400 AromaticContact CD2-CD1 3.59Å; Y367-F400 HydrophobicContact CD2-CD1 3.59Å; Y367-F400 AromaticContact CD2-CE1 3.85Å; Y367-F400 HydrophobicContact CD2-CE1 3.85Å; Y367-F400 HydrophobicContact CE1-CD1 4.06Å; Y367-F400 HydrophobicContact CE2-CB 4.48Å; Y367-F400 AromaticContact CE2-CD1 3.75Å; Y367-F400 HydrophobicContact CE2-CD1 3.75Å; Y367-F400 HydrophobicContact CE2-CE1 4.42Å; Y367-F400 HydrophobicContact CE2-CG 4.38Å; Y367-F400 AromaticContact CG-CD1 3.66Å; Y367-F400 HydrophobicContact CG-CD1 3.66Å; Y367-F400 AromaticContact CG-CE1 3.86Å; Y367-F400 HydrophobicContact CG-CE1 3.86Å; Y367-F400 AromaticContact CZ-CD1 3.98Å
368L95.9Very high93Very high13 Ų1345.6 Ų45.67%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-100.9141.3172.7-57.9-178.4000110F350 T358 M359 W383 E384 L386F350-L368 HydrophobicContact CB-CD2 4.24Å; F350-L368 HydrophobicContact CD1-CD1 4.17Å; F350-L368 HydrophobicContact CD1-CD2 3.63Å; F350-L368 HydrophobicContact CE1-CD1 4.33Å; F350-L368 HydrophobicContact CE1-CD2 4.39Å; F350-L368 HydrophobicContact CG-CD2 4.27Å; T358-L368 WeakPolarHBondContact O-CA 3.49Å; M359-L368 HydrophobicContact CB-CD2 3.74Å; M359-L368 HydrophobicContact CG-CD2 3.82Å; M359-L368 HydrophobicContact SD-CD2 4.12Å; L368-W383 VanDerWaalsContact C-CE3 3.49Å; L368-W383 CarbonylContact O-C 3.54Å; L368-W383 WeakPolarHBondContact O-CA 3.39Å; L368-E384 PolarHBondContact N-O 3.45Å; L368-E384 PolarHBondContact O-N 2.96Å; L368-L386 HydrophobicContact CD1-CD1 4.3Å; L368-L386 HydrophobicContact CD1-CD2 4.45Å; L368-L386 HydrophobicContact CD2-CD2 4.24Å; L368-L386 HydrophobicContact CG-CB 4.22Å; L368-L386 HydrophobicContact CG-CD2 4.39Å
369L96.2Very high92.4Very high5 Ų553 Ų533%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-72.8129176.2-170.972.5000109.7I164 N180 L184 T358 T371 V382 W383I164-L369 HydrophobicContact CB-CD2 4.28Å; I164-L369 HydrophobicContact CD1-CD1 3.94Å; I164-L369 HydrophobicContact CD1-CD2 4.26Å; I164-L369 HydrophobicContact CD1-CG 4.17Å; I164-L369 HydrophobicContact CG2-CD1 4.46Å; I164-L369 HydrophobicContact CG2-CD2 4.12Å; N180-L369 HydrophobicContact CB-CD2 3.67Å; L184-L369 HydrophobicContact CD1-CD1 4.1Å; L184-L369 HydrophobicContact CD1-CD2 4.04Å; T358-L369 HydrophobicContact CG2-CB 4.32Å; T358-L369 HydrophobicContact CG2-CD2 4.37Å; T358-L369 PolarHBondContact O-N 3.11Å; L369-T371 HydrophobicContact CB-CG2 4.46Å; L369-T371 HydrophobicContact CD2-CG2 3.97Å; L369-T371 HydrophobicContact CG-CG2 4.2Å; L369-T371 PolarHBondContact O-N 3.34Å; L369-T371 VanDerWaalsContact O-N 3.13Å; L369-V382 HydrophobicContact CD1-CG1 4.11Å; L369-W383 HydrophobicContact CB-CE3 4.18Å; L369-W383 HydrophobicContact CB-CH2 4.24Å; L369-W383 HydrophobicContact CB-CZ3 3.77Å; L369-W383 HydrophobicContact CD1-CD2 4.28Å; L369-W383 HydrophobicContact CD1-CE3 4.24Å; L369-W383 HydrophobicContact CD1-CH2 3.83Å; L369-W383 HydrophobicContact CD1-CZ2 3.88Å; L369-W383 HydrophobicContact CD1-CZ3 4.02Å
370V94.5Very high92Very high11 Ų1159.4 Ų59.47%0.06731%0.31CS..  trans-78.799.1176.6-176.40000109.1F375 V381 V382 E384 F395V370-F375 HydrophobicContact CG1-CB 4.11Å; V370-F375 HydrophobicContact CG1-CD2 3.47Å; V370-F375 VanDerWaalsContact CG1-CD2 3.47Å; V370-F375 HydrophobicContact CG1-CE2 4.1Å; V370-F375 HydrophobicContact CG1-CG 3.95Å; V370-V381 HydrophobicContact CB-CG1 4.22Å; V370-V381 HydrophobicContact CG1-CG1 3.99Å; V370-V381 HydrophobicContact CG2-CG1 4.01Å; V370-V382 PolarHBondContact N-O 3.44Å; V370-E384 HydrophobicContact CG2-CB 4.09Å; V370-F395 HydrophobicContact CG2-CD1 3.83Å; V370-F395 HydrophobicContact CG2-CE1 3.87Å
371T93.9Very high91.7Very high17 Ų1759.4 Ų59.410%0.10431%0.311CS..  trans-97.7-5.5-179.153.10000114.1T166 Q167 N180 L369 Q373T166-T371 CarbonylContact C-O 3.53Å; T166-T371 WeakPolarHBondContact CA-O 3.49Å; T166-T371 VanDerWaalsContact CB-O 3.27Å; T166-T371 WeakPolarHBondContact CB-O 3.31Å; Q167-T371 PolarHBondContact N-O 2.66Å; N180-T371 WeakPolarHBondContact ND2-CG2 3.43Å; L369-T371 HydrophobicContact CB-CG2 4.46Å; L369-T371 HydrophobicContact CD2-CG2 3.97Å; L369-T371 HydrophobicContact CG-CG2 4.2Å; L369-T371 PolarHBondContact O-N 3.34Å; L369-T371 VanDerWaalsContact O-N 3.13Å; T371-Q373 PolarHBondContact O-N 3.4Å
372D91.6Very high91.6Very high91 Ų9158.1 Ų58.149%0.48731%0.305SS..BIsolated β-bridgetrans-65.8130.8-179.3-178-77.5000112.1G374 F375D372-G374 PolarHBondContact O-N 3.07Å; D372-G374 WeakPolarHBondContact OD1-CA 3.34Å; D372-G374 PolarHBondContact OD1-N 3.31Å; D372-F375 HydrophobicContact CB-CD2 4.19Å; D372-F375 PolarHBondContact O-N 3.12Å; D372-F375 VanDerWaalsContact O-N 3.15Å
373Q88.9Confident91.6Very high59 Ų5954.9 Ų54.928%0.27629%0.292SS..G310 helixtrans-63.5-22.7-176.9-178.1172.8-8.600113.5H151 Q167 T371 F375 L376H151-Q373 PolarHBondContact CD2-NE2 2.86Å; H151-Q373 PolarHBondContact NE2-NE2 3.37Å; Q167-Q373 WeakPolarHBondContact O-CB 3.49Å; Q167-Q373 PolarHBondContact O-N 3.5Å; T371-Q373 PolarHBondContact O-N 3.4Å; Q373-F375 PolarHBondContact O-N 3.44Å; Q373-F375 VanDerWaalsContact O-N 3.15Å; Q373-L376 HydrophobicContact CG-CB 4.34Å; Q373-L376 HydrophobicContact CG-CD2 4.3Å; Q373-L376 WeakPolarHBondContact O-CB 3.17Å; Q373-L376 PolarHBondContact O-N 3.22Å
374G88.4Confident91.7Very high61 Ų6150 Ų5063%0.62927%0.272SS*.G310 helixtrans-57.8-26.7173.900000113.3D372D372-G374 PolarHBondContact O-N 3.07Å; D372-G374 WeakPolarHBondContact OD1-CA 3.34Å; D372-G374 PolarHBondContact OD1-N 3.31Å
375F89.4Confident91.9Very high53 Ų5348.8 Ų48.823%0.23226%0.258CS..G310 helixtrans-93.410.5174.7-61.8-75.8000114.1K153 V370 D372 Q373 T377 E378 V381 F395K153-F375 WeakPolarHBondContact CE-O 3.36Å; K153-F375 PolarHBondContact NZ-O 3.03Å; V370-F375 HydrophobicContact CG1-CB 4.11Å; V370-F375 HydrophobicContact CG1-CD2 3.47Å; V370-F375 VanDerWaalsContact CG1-CD2 3.47Å; V370-F375 HydrophobicContact CG1-CE2 4.1Å; V370-F375 HydrophobicContact CG1-CG 3.95Å; D372-F375 HydrophobicContact CB-CD2 4.19Å; D372-F375 PolarHBondContact O-N 3.12Å; D372-F375 VanDerWaalsContact O-N 3.15Å; Q373-F375 PolarHBondContact O-N 3.44Å; Q373-F375 VanDerWaalsContact O-N 3.15Å; F375-T377 VanDerWaalsContact C-N 3.26Å; F375-T377 PolarHBondContact O-N 3Å; F375-E378 HydrophobicContact CB-CB 4.5Å; F375-E378 HydrophobicContact CD1-CB 4.37Å; F375-E378 HydrophobicContact CD1-CG 4.48Å; F375-E378 PolarHBondContact O-N 2.88Å; F375-V381 HydrophobicContact CB-CG1 4.31Å; F375-V381 HydrophobicContact CD1-CB 4.1Å; F375-V381 HydrophobicContact CD1-CG1 3.74Å; F375-V381 HydrophobicContact CD1-CG2 4.22Å; F375-V381 HydrophobicContact CE1-CG1 4.17Å; F375-V381 HydrophobicContact CG-CG1 3.96Å; F375-F395 HydrophobicContact CE1-CE2 4.43Å; F375-F395 HydrophobicContact CE2-CZ 4.21Å; F375-F395 HydrophobicContact CZ-CE1 4.47Å; F375-F395 AromaticContact CZ-CE2 3.96Å; F375-F395 HydrophobicContact CZ-CE2 3.96Å; F375-F395 AromaticContact CZ-CZ 3.82Å; F375-F395 HydrophobicContact CZ-CZ 3.82Å
376L89.8Confident91.9Very high48 Ų4844 Ų4425%0.25124%0.236SC..THydrogen-bonded Turntrans-52.9-41-177.2177.660.7000112.9H151 K153 T166 Q373H151-L376 HydrophobicContact CB-CD1 4.08Å; H151-L376 HydrophobicContact CB-CD2 3.71Å; K153-L376 HydrophobicContact CB-CD1 3.83Å; K153-L376 HydrophobicContact CG-CD1 4.38Å; T166-L376 HydrophobicContact CG2-CD1 4.33Å; Q373-L376 HydrophobicContact CG-CB 4.34Å; Q373-L376 HydrophobicContact CG-CD2 4.3Å; Q373-L376 WeakPolarHBondContact O-CB 3.17Å; Q373-L376 PolarHBondContact O-N 3.22Å
377T87.8Confident91.4Very high128 Ų12848.5 Ų48.579%0.78526%0.256SS*.THydrogen-bonded Turntrans-83.6-15.9179.4530000114.3F375 E379F375-T377 VanDerWaalsContact C-N 3.26Å; F375-T377 PolarHBondContact O-N 3Å; T377-E379 PolarHBondContact O-N 2.91Å; T377-E379 VanDerWaalsContact O-N 3.14Å
378E88.1Confident91Very high69 Ų6949.1 Ų49.132%0.32226%0.26SS..  trans-86.479.3-177.7-77.8-126.3-122.500111.5K153 F375 K380 V381 R403K153-E378 WeakPolarHBondContact CE-O 3.44Å; K153-E378 PolarHBondContact NZ-O 2.83Å; F375-E378 HydrophobicContact CB-CB 4.5Å; F375-E378 HydrophobicContact CD1-CB 4.37Å; F375-E378 HydrophobicContact CD1-CG 4.48Å; F375-E378 PolarHBondContact O-N 2.88Å; E378-K380 PolarHBondContact O-N 2.89Å; E378-V381 HydrophobicContact CB-CB 4.08Å; E378-V381 HydrophobicContact CB-CG2 3.99Å; E378-V381 PolarHBondContact O-N 3.03Å; E378-R403 IonicContact OE2-CZ 2.9Å; E378-R403 IonicContact OE2-NH1 2.75Å; E378-R403 PolarHBondContact OE2-NH1 3.47Å; E378-R403 IonicContact OE2-NH2 2.91Å; E378-R403 PolarHBondContact OE2-NH2 2.96Å
379E84.1Confident90.4Very high155 Ų15549 Ų4972%0.72426%0.261SS*.THydrogen-bonded Turntrans-47.9-30176.5-64.6-176.3165.700114.1T377 V381 V382T377-E379 PolarHBondContact O-N 2.91Å; T377-E379 VanDerWaalsContact O-N 3.14Å; E379-V381 VanDerWaalsContact C-N 3.35Å; E379-V382 WeakPolarHBondContact O-CG2 3.37Å
380K86.8Confident89.5Confident135 Ų13554.4 Ų54.459%0.58729%0.289SS*.THydrogen-bonded Turntrans-86.31.2-177.4-59.6176.4-175.8169.10114.3E378E378-K380 PolarHBondContact O-N 2.89Å
381V91.8Very high88.6Confident2 Ų256 Ų561%0.01231%0.307CS..  trans-115.9101.7176.4178.20000107.9K153 V370 F375 E378 E379 F395K153-V381 PolarHBondContact NZ-O 3.44Å; V370-V381 HydrophobicContact CB-CG1 4.22Å; V370-V381 HydrophobicContact CG1-CG1 3.99Å; V370-V381 HydrophobicContact CG2-CG1 4.01Å; F375-V381 HydrophobicContact CB-CG1 4.31Å; F375-V381 HydrophobicContact CD1-CB 4.1Å; F375-V381 HydrophobicContact CD1-CG1 3.74Å; F375-V381 HydrophobicContact CD1-CG2 4.22Å; F375-V381 HydrophobicContact CE1-CG1 4.17Å; F375-V381 HydrophobicContact CG-CG1 3.96Å; E378-V381 HydrophobicContact CB-CB 4.08Å; E378-V381 HydrophobicContact CB-CG2 3.99Å; E378-V381 PolarHBondContact O-N 3.03Å; E379-V381 VanDerWaalsContact C-N 3.35Å; V381-F395 HydrophobicContact CG1-CB 4.11Å; V381-F395 HydrophobicContact CG1-CD1 3.76Å; V381-F395 HydrophobicContact CG1-CE1 4.37Å; V381-F395 HydrophobicContact CG1-CG 3.93Å; V381-F395 HydrophobicContact CG2-CB 4.36Å
382V94.1Very high87.9Confident0 Ų059.6 Ų59.60%033%0.326CS..  trans-126.4-39.9-176.3-176.50000111.2I155 L369 V370 E379 C396I155-V382 HydrophobicContact CB-CG2 4.42Å; I155-V382 HydrophobicContact CD1-CG1 3.58Å; I155-V382 HydrophobicContact CG2-CG1 4.31Å; I155-V382 HydrophobicContact CG2-CG2 3.88Å; L369-V382 HydrophobicContact CD1-CG1 4.11Å; V370-V382 PolarHBondContact N-O 3.44Å; E379-V382 WeakPolarHBondContact O-CG2 3.37Å; V382-C396 PolarHBondContact N-O 3.34Å
383W95.3Very high87.4Confident0 Ų056.1 Ų56.10%031%0.312CS..EExtended strand (participates in β ladder)trans-125.4144.9-177.4-64.3103.4000111.4W157 L184 L347 I360 Y367 L368 L369 F395 C396 F400W157-W383 HydrophobicContact CE3-CZ2 4.49Å; W157-W383 AromaticContact CH2-CZ2 3.74Å; W157-W383 HydrophobicContact CH2-CZ2 3.74Å; W157-W383 HydrophobicContact CZ2-CZ2 4.44Å; W157-W383 AromaticContact CZ3-CE2 3.96Å; W157-W383 AromaticContact CZ3-CZ2 3.78Å; W157-W383 HydrophobicContact CZ3-CZ2 3.78Å; W157-W383 AromaticContact CZ3-NE1 3.58Å; L184-W383 HydrophobicContact CD1-CH2 3.85Å; L184-W383 HydrophobicContact CD1-CZ2 4.05Å; L347-W383 HydrophobicContact CD2-CH2 4.23Å; I360-W383 HydrophobicContact CB-CH2 4.03Å; I360-W383 HydrophobicContact CB-CZ3 4.12Å; I360-W383 HydrophobicContact CG2-CD2 4.21Å; I360-W383 HydrophobicContact CG2-CE3 3.79Å; I360-W383 HydrophobicContact CG2-CH2 3.56Å; I360-W383 HydrophobicContact CG2-CZ2 3.97Å; I360-W383 HydrophobicContact CG2-CZ3 3.45Å; I360-W383 VanDerWaalsContact CG2-CZ3 3.45Å; Y367-W383 HydrophobicContact CD1-CB 4.16Å; Y367-W383 HydrophobicContact CG-CB 4.49Å; L368-W383 VanDerWaalsContact C-CE3 3.49Å; L368-W383 CarbonylContact O-C 3.54Å; L368-W383 WeakPolarHBondContact O-CA 3.39Å; L369-W383 HydrophobicContact CB-CE3 4.18Å; L369-W383 HydrophobicContact CB-CH2 4.24Å; L369-W383 HydrophobicContact CB-CZ3 3.77Å; L369-W383 HydrophobicContact CD1-CD2 4.28Å; L369-W383 HydrophobicContact CD1-CE3 4.24Å; L369-W383 HydrophobicContact CD1-CH2 3.83Å; L369-W383 HydrophobicContact CD1-CZ2 3.88Å; L369-W383 HydrophobicContact CD1-CZ3 4.02Å; W383-F395 CarbonylContact O-C 3.59Å; W383-F395 WeakPolarHBondContact O-CA 3.18Å; W383-C396 HydrophobicContact CB-CB 4.26Å; W383-C396 PolarHBondContact N-O 2.82Å; W383-C396 VanDerWaalsContact N-O 3.15Å; W383-C396 PolarHBondContact O-N 3.2Å; W383-F400 HydrophobicContact CB-CD1 4.33Å; W383-F400 HydrophobicContact CB-CE1 4.28Å; W383-F400 AromaticContact CD1-CD1 3.99Å; W383-F400 AromaticContact CD1-CE1 3.59Å; W383-F400 AromaticContact CD2-CE1 3.71Å; W383-F400 HydrophobicContact CD2-CE1 3.71Å; W383-F400 HydrophobicContact CD2-CZ 4.25Å; W383-F400 AromaticContact CE2-CE1 3.82Å; W383-F400 AromaticContact CE2-CZ 3.86Å; W383-F400 HydrophobicContact CE3-CE1 4.39Å; W383-F400 HydrophobicContact CG-CD1 4.05Å; W383-F400 AromaticContact CG-CE1 3.61Å; W383-F400 HydrophobicContact CG-CE1 3.61Å; W383-F400 HydrophobicContact CG-CZ 4.37Å; W383-F400 HydrophobicContact CZ2-CZ 4.35Å; W383-F400 AromaticContact NE1-CE1 3.7Å; W383-F400 AromaticContact NE1-CZ 3.68Å
384E94.4Very high87.5Confident48 Ų4857 Ų5722%0.22432%0.319CS..EExtended strand (participates in β ladder)trans-113.6131.4172.4-172.2-160.8141.700109.3Y367 L368 V370 L386 F395Y367-E384 CarbonylContact C-O 3.56Å; Y367-E384 VanDerWaalsContact CA-O 3.24Å; Y367-E384 WeakPolarHBondContact CA-O 3.33Å; L368-E384 PolarHBondContact N-O 3.45Å; L368-E384 PolarHBondContact O-N 2.96Å; V370-E384 HydrophobicContact CG2-CB 4.09Å; E384-L386 PolarHBondContact O-N 3.25Å; E384-F395 HydrophobicContact CB-CD1 4.12Å; E384-F395 HydrophobicContact CB-CE1 4.1Å; E384-F395 HydrophobicContact CG-CD1 4.21Å; E384-F395 HydrophobicContact CG-CE1 3.98Å
385S94Very high87.7Confident8 Ų857.6 Ų57.66%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-78109-17768.20000113.1H387 N394S385-H387 PolarHBondContact O-N 3.23Å; S385-H387 PolarHBondContact O-ND1 3.33Å; S385-H387 PolarHBondContact OG-ND1 2.98Å; S385-N394 PolarHBondContact N-O 3.35Å; S385-N394 PolarHBondContact OG-N 2.9Å
386L92.9Very high87.8Confident7 Ų755 Ų554%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-80.886.6174.8-175.567.1000110.1L330 L335 F350 M359 L366 L368 E384L330-L386 HydrophobicContact CD2-CD1 3.9Å; L335-L386 HydrophobicContact CD1-CD2 4.22Å; L335-L386 HydrophobicContact CD1-CG 3.94Å; F350-L386 HydrophobicContact CD1-CD2 4.25Å; F350-L386 HydrophobicContact CE1-CD2 3.75Å; F350-L386 HydrophobicContact CZ-CD2 3.97Å; M359-L386 HydrophobicContact SD-CD2 4.16Å; L366-L386 HydrophobicContact CB-CB 4.05Å; L366-L386 HydrophobicContact CB-CD2 4.41Å; L366-L386 HydrophobicContact CD1-CD2 4.36Å; L366-L386 PolarHBondContact O-N 3.36Å; L368-L386 HydrophobicContact CD1-CD1 4.3Å; L368-L386 HydrophobicContact CD1-CD2 4.45Å; L368-L386 HydrophobicContact CD2-CD2 4.24Å; L368-L386 HydrophobicContact CG-CB 4.22Å; L368-L386 HydrophobicContact CG-CD2 4.39Å; E384-L386 PolarHBondContact O-N 3.25Å
387H86.5Confident87.9Confident96 Ų9654.5 Ų54.544%0.44429%0.29SS..  trans-125.2-7.6-174.873.6-67.1000114.1S385 D392 N394S385-H387 PolarHBondContact O-N 3.23Å; S385-H387 PolarHBondContact O-ND1 3.33Å; S385-H387 PolarHBondContact OG-ND1 2.98Å; H387-D392 PolarHBondContact CE1-O 3.24Å; H387-N394 PolarHBondContact CE1-ND2 3.1Å
388N86.3Confident88.1Confident25 Ų2549 Ų4913%0.13426%0.257CS..  trans-145.2164.7178.2-172.631.4000111.1Y332 D390 D392Y332-N388 WeakPolarHBondContact CE1-OD1 3.43Å; Y332-N388 PolarHBondContact OH-OD1 3.01Å; Y332-N388 VanDerWaalsContact OH-OD1 3.07Å; N388-D390 PolarHBondContact ND2-OD2 2.86Å; N388-D392 WeakPolarHBondContact CB-OD1 3.12Å; N388-D392 PolarHBondContact ND2-OD1 3.11Å
389V84.1Confident88.2Confident12 Ų1248.6 Ų48.67%0.07326%0.255CS..SBendtrans-84.2-19.6-179.2-51.90000113.8L330 Y332 R352L330-V389 HydrophobicContact CG-CB 4.48Å; L330-V389 HydrophobicContact CG-CG1 4.17Å; Y332-V389 HydrophobicContact CD1-CG1 4.03Å; Y332-V389 HydrophobicContact CD2-CG1 3.89Å; Y332-V389 HydrophobicContact CD2-CG2 4.2Å; Y332-V389 HydrophobicContact CE1-CG1 4.13Å; Y332-V389 HydrophobicContact CE1-CG2 4.34Å; Y332-V389 HydrophobicContact CE2-CB 4.4Å; Y332-V389 HydrophobicContact CE2-CG1 3.97Å; Y332-V389 HydrophobicContact CE2-CG2 3.48Å; Y332-V389 VanDerWaalsContact CE2-CG2 3.48Å; Y332-V389 HydrophobicContact CG-CG1 3.92Å; R352-V389 PolarHBondContact NH2-O 3.27Å
390D77.4Confident88.5Confident118 Ų11842.3 Ų42.363%0.63123%0.225SC*.SBendtrans-85.1-15.4-169.1-57.1-62.2000114.1N388N388-D390 PolarHBondContact ND2-OD2 2.86Å
391G75.8Confident88.6Confident43 Ų4342.2 Ų42.244%0.44322%0.221SC..SBendtrans94.215.6177.700000115.1G393G391-G393 PolarHBondContact O-N 3.19Å
392D78.5Confident88.3Confident93 Ų9347 Ų4750%0.49725%0.247SC..  trans-78.84117357.3-36.5000113H387 N388H387-D392 PolarHBondContact CE1-O 3.24Å; N388-D392 WeakPolarHBondContact CB-OD1 3.12Å; N388-D392 PolarHBondContact ND2-OD1 3.11Å
393G81.6Confident87.1Confident19 Ų1950.6 Ų50.620%0.19626%0.26CS..PPolyproline II helixtrans-64.3144.5-178.400000113.7G391G391-G393 PolarHBondContact O-N 3.19Å
394N89.8Confident85.2Confident78 Ų7855.4 Ų55.442%0.41729%0.291SS..PPolyproline II helixtrans-98.7130.9178.9-67.4-93.9000111.1S385 H387 L402S385-N394 PolarHBondContact N-O 3.35Å; S385-N394 PolarHBondContact OG-N 2.9Å; H387-N394 PolarHBondContact CE1-ND2 3.1Å; N394-L402 HydrophobicContact CB-CD2 3.38Å
395F92.8Very high83Confident72 Ų7259.3 Ų59.332%0.31632%0.321SS..EExtended strand (participates in β ladder)trans-77.3137.7178.8-62.8-58.1000113.4V370 F375 V381 W383 E384 R403V370-F395 HydrophobicContact CG2-CD1 3.83Å; V370-F395 HydrophobicContact CG2-CE1 3.87Å; F375-F395 HydrophobicContact CE1-CE2 4.43Å; F375-F395 HydrophobicContact CE2-CZ 4.21Å; F375-F395 HydrophobicContact CZ-CE1 4.47Å; F375-F395 AromaticContact CZ-CE2 3.96Å; F375-F395 HydrophobicContact CZ-CE2 3.96Å; F375-F395 AromaticContact CZ-CZ 3.82Å; F375-F395 HydrophobicContact CZ-CZ 3.82Å; V381-F395 HydrophobicContact CG1-CB 4.11Å; V381-F395 HydrophobicContact CG1-CD1 3.76Å; V381-F395 HydrophobicContact CG1-CE1 4.37Å; V381-F395 HydrophobicContact CG1-CG 3.93Å; V381-F395 HydrophobicContact CG2-CB 4.36Å; W383-F395 CarbonylContact O-C 3.59Å; W383-F395 WeakPolarHBondContact O-CA 3.18Å; E384-F395 HydrophobicContact CB-CD1 4.12Å; E384-F395 HydrophobicContact CB-CE1 4.1Å; E384-F395 HydrophobicContact CG-CD1 4.21Å; E384-F395 HydrophobicContact CG-CE1 3.98Å; F395-R403 PolarHBondContact O-N 2.98Å; F395-R403 VanDerWaalsContact O-N 3.1Å
396C92.4Very high80.7Confident0 Ų061.2 Ų61.20%033%0.334CS..EExtended strand (participates in β ladder)trans-131.8154.4-173.8-60.20000112.2V382 W383 R401V382-C396 PolarHBondContact N-O 3.34Å; W383-C396 HydrophobicContact CB-CB 4.26Å; W383-C396 PolarHBondContact N-O 2.82Å; W383-C396 VanDerWaalsContact N-O 3.15Å; W383-C396 PolarHBondContact O-N 3.2Å; C396-R401 CarbonylContact C-O 3.57Å; C396-R401 WeakPolarHBondContact CA-O 3.46Å; C396-R401 WeakPolarHBondContact CB-O 3.35Å
397D92.1Very high78.6Confident36 Ų3666.3 Ų66.319%0.19336%0.362CS..  trans-73173169.97216.8000112.5E399 F400 R401D397-E399 PolarHBondContact O-N 2.89Å; D397-E399 VanDerWaalsContact OD1-C 3.23Å; D397-E399 WeakPolarHBondContact OD1-CA 3.31Å; D397-E399 PolarHBondContact OD1-N 2.93Å; D397-F400 PolarHBondContact O-N 3.13Å; D397-F400 PolarHBondContact OD1-N 2.92Å; D397-F400 VanDerWaalsContact OD1-N 3.12Å; D397-R401 PolarHBondContact N-O 3.24Å; D397-R401 PolarHBondContact OD1-N 2.94Å; D397-R401 IonicContact OD1-NH1 3.14Å; D397-R401 WeakPolarHBondContact OD2-CB 3.32Å; D397-R401 IonicContact OD2-CZ 3.49Å; D397-R401 IonicContact OD2-NH1 2.68Å; D397-R401 PolarHBondContact OD2-NH1 3.29Å
398S91.6Very high77Confident13 Ų1365.3 Ų65.39%0.09136%0.364CS..THydrogen-bonded Turntrans-55.9-17.4177.4-53.10000115.5K156K156-S398 WeakPolarHBondContact O-CB 3.46Å; K156-S398 PolarHBondContact O-OG 3.46Å
399E90.4Very high75.1Confident61 Ų6171.7 Ų71.729%0.28539%0.393SS..THydrogen-bonded Turntrans-107.917.1-175.9-70.1141.4-155.800110.6K156 D397 R401K156-E399 IonicContact NZ-OE1 2.64Å; D397-E399 PolarHBondContact O-N 2.89Å; D397-E399 VanDerWaalsContact OD1-C 3.23Å; D397-E399 WeakPolarHBondContact OD1-CA 3.31Å; D397-E399 PolarHBondContact OD1-N 2.93Å; E399-R401 VanDerWaalsContact C-N 3.25Å; E399-R401 PolarHBondContact O-N 2.94Å; E399-R401 IonicContact OE2-CZ 3.38Å; E399-R401 IonicContact OE2-NH1 3.75Å; E399-R401 PolarHBondContact OE2-NH1 3.28Å; E399-R401 IonicContact OE2-NH2 3.79Å; E399-R401 PolarHBondContact OE2-NH2 2.94Å
400F90.9Very high73.6Confident22 Ų2275.6 Ų75.610%0.09642%0.416CS..  trans57.432.5177.3-52.2-87.2000113.7W157 I360 Y362 Y367 W383 D397W157-F400 HydrophobicContact CH2-CE2 4.18Å; W157-F400 AromaticContact CH2-CZ 3.92Å; W157-F400 HydrophobicContact CH2-CZ 3.92Å; W157-F400 AromaticContact CZ3-CE2 3.9Å; W157-F400 HydrophobicContact CZ3-CE2 3.9Å; W157-F400 AromaticContact CZ3-CZ 3.82Å; W157-F400 HydrophobicContact CZ3-CZ 3.82Å; I360-F400 HydrophobicContact CD1-CZ 4.28Å; I360-F400 HydrophobicContact CG2-CE1 3.61Å; I360-F400 HydrophobicContact CG2-CZ 3.66Å; Y362-F400 HydrophobicContact CD1-CB 3.38Å; Y362-F400 HydrophobicContact CD1-CD1 4.18Å; Y362-F400 AromaticContact CD1-CD2 3.38Å; Y362-F400 HydrophobicContact CD1-CD2 3.38Å; Y362-F400 HydrophobicContact CD1-CE2 4.2Å; Y362-F400 AromaticContact CD1-CG 3.36Å; Y362-F400 HydrophobicContact CD1-CG 3.36Å; Y362-F400 AromaticContact CD2-CD2 3.89Å; Y362-F400 HydrophobicContact CD2-CD2 3.89Å; Y362-F400 HydrophobicContact CD2-CE2 4Å; Y362-F400 HydrophobicContact CE1-CB 3.56Å; Y362-F400 AromaticContact CE1-CD2 3.62Å; Y362-F400 HydrophobicContact CE1-CD2 3.62Å; Y362-F400 AromaticContact CE1-CG 3.85Å; Y362-F400 HydrophobicContact CE1-CG 3.85Å; Y362-F400 HydrophobicContact CE2-CD2 4.12Å; Y362-F400 HydrophobicContact CE2-CE2 4.46Å; Y362-F400 HydrophobicContact CG-CB 4.29Å; Y362-F400 HydrophobicContact CG-CD1 4.35Å; Y362-F400 AromaticContact CG-CD2 3.5Å; Y362-F400 HydrophobicContact CG-CD2 3.5Å; Y362-F400 VanDerWaalsContact CG-CD2 3.5Å; Y362-F400 AromaticContact CG-CE2 3.85Å; Y362-F400 HydrophobicContact CG-CE2 3.85Å; Y362-F400 AromaticContact CG-CG 3.78Å; Y362-F400 HydrophobicContact CG-CG 3.78Å; Y362-F400 HydrophobicContact CG-CZ 4.41Å; Y362-F400 AromaticContact CZ-CD2 3.99Å; Y367-F400 AromaticContact CD1-CD1 3.9Å; Y367-F400 HydrophobicContact CD1-CD1 3.9Å; Y367-F400 HydrophobicContact CD1-CE1 4.47Å; Y367-F400 AromaticContact CD2-CD1 3.59Å; Y367-F400 HydrophobicContact CD2-CD1 3.59Å; Y367-F400 AromaticContact CD2-CE1 3.85Å; Y367-F400 HydrophobicContact CD2-CE1 3.85Å; Y367-F400 HydrophobicContact CE1-CD1 4.06Å; Y367-F400 HydrophobicContact CE2-CB 4.48Å; Y367-F400 AromaticContact CE2-CD1 3.75Å; Y367-F400 HydrophobicContact CE2-CD1 3.75Å; Y367-F400 HydrophobicContact CE2-CE1 4.42Å; Y367-F400 HydrophobicContact CE2-CG 4.38Å; Y367-F400 AromaticContact CG-CD1 3.66Å; Y367-F400 HydrophobicContact CG-CD1 3.66Å; Y367-F400 AromaticContact CG-CE1 3.86Å; Y367-F400 HydrophobicContact CG-CE1 3.86Å; Y367-F400 AromaticContact CZ-CD1 3.98Å; W383-F400 HydrophobicContact CB-CD1 4.33Å; W383-F400 HydrophobicContact CB-CE1 4.28Å; W383-F400 AromaticContact CD1-CD1 3.99Å; W383-F400 AromaticContact CD1-CE1 3.59Å; W383-F400 AromaticContact CD2-CE1 3.71Å; W383-F400 HydrophobicContact CD2-CE1 3.71Å; W383-F400 HydrophobicContact CD2-CZ 4.25Å; W383-F400 AromaticContact CE2-CE1 3.82Å; W383-F400 AromaticContact CE2-CZ 3.86Å; W383-F400 HydrophobicContact CE3-CE1 4.39Å; W383-F400 HydrophobicContact CG-CD1 4.05Å; W383-F400 AromaticContact CG-CE1 3.61Å; W383-F400 HydrophobicContact CG-CE1 3.61Å; W383-F400 HydrophobicContact CG-CZ 4.37Å; W383-F400 HydrophobicContact CZ2-CZ 4.35Å; W383-F400 AromaticContact NE1-CE1 3.7Å; W383-F400 AromaticContact NE1-CZ 3.68Å; D397-F400 PolarHBondContact O-N 3.13Å; D397-F400 PolarHBondContact OD1-N 2.92Å; D397-F400 VanDerWaalsContact OD1-N 3.12Å
401R88.3Confident72.4Confident133 Ų13373.6 Ų73.650%0.50241%0.409SS..PPolyproline II helixtrans-89.1125.7167.1-46.2-174.3-162.9864.7108.2C396 D397 E399 R403C396-R401 CarbonylContact C-O 3.57Å; C396-R401 WeakPolarHBondContact CA-O 3.46Å; C396-R401 WeakPolarHBondContact CB-O 3.35Å; D397-R401 PolarHBondContact N-O 3.24Å; D397-R401 PolarHBondContact OD1-N 2.94Å; D397-R401 IonicContact OD1-NH1 3.14Å; D397-R401 WeakPolarHBondContact OD2-CB 3.32Å; D397-R401 IonicContact OD2-CZ 3.49Å; D397-R401 IonicContact OD2-NH1 2.68Å; D397-R401 PolarHBondContact OD2-NH1 3.29Å; E399-R401 VanDerWaalsContact C-N 3.25Å; E399-R401 PolarHBondContact O-N 2.94Å; E399-R401 IonicContact OE2-CZ 3.38Å; E399-R401 IonicContact OE2-NH1 3.75Å; E399-R401 PolarHBondContact OE2-NH1 3.28Å; E399-R401 IonicContact OE2-NH2 3.79Å; E399-R401 PolarHBondContact OE2-NH2 2.94Å; R401-R403 PolarHBondContact O-N 3.5Å
402L84.7Confident71.1Confident104 Ų10479.3 Ų79.355%0.54542%0.418SS..BIsolated β-bridgetrans-48.9137.9164.7-68.7164.2000109.3N394 P404N394-L402 HydrophobicContact CB-CD2 3.38Å; L402-P404 WeakPolarHBondContact O-CD 3.34Å
403R70.8Confident69.8Low74 Ų7482.5 Ų82.528%0.27942%0.423SS..PPolyproline II helixtrans-50.4124.9165.5-87.1-80.1-82.4-94.53.6108.8E378 F395 R401 S406E378-R403 IonicContact OE2-CZ 2.9Å; E378-R403 IonicContact OE2-NH1 2.75Å; E378-R403 PolarHBondContact OE2-NH1 3.47Å; E378-R403 IonicContact OE2-NH2 2.91Å; E378-R403 PolarHBondContact OE2-NH2 2.96Å; F395-R403 PolarHBondContact O-N 2.98Å; F395-R403 VanDerWaalsContact O-N 3.1Å; R401-R403 PolarHBondContact O-N 3.5Å; R403-S406 PolarHBondContact NH2-OG 2.95Å
404P54.4Low68.5Low102 Ų10283.3 Ų83.366%0.66243%0.432SS*.PPolyproline II helixtrans-53.1141.8155.3-1931.8000107.4L402 S406L402-P404 WeakPolarHBondContact O-CD 3.34Å; P404-S406 PolarHBondContact O-N 2.83Å; P404-S406 VanDerWaalsContact O-N 3.07Å
405P48.5Very low66.7Low130 Ų13084.9 Ų84.984%0.84444%0.436SS*.PPolyproline II helixtrans-48.3123.2172.4-26.734.8000108.9D407P405-D407 PolarHBondContact O-N 3.4Å; P405-D407 VanDerWaalsContact O-N 3.1Å
406S45.4Very low64.9Low48 Ų4886 Ų8634%0.33644%0.442SS..PPolyproline II helixtrans-54.3120.6-173.5-57.80000109.1R403 P404 P408R403-S406 PolarHBondContact NH2-OG 2.95Å; P404-S406 PolarHBondContact O-N 2.83Å; P404-S406 VanDerWaalsContact O-N 3.07Å; S406-P408 WeakPolarHBondContact O-CD 3.45Å; S406-P408 VanDerWaalsContact O-N 3.09Å
407D47.8Very low63.3Low114 Ų11490.1 Ų90.161%0.6146%0.464SS*.PPolyproline II helixtrans-56.8117.3177.1-160.7-22.1000107.4P405 E409 T410P405-D407 PolarHBondContact O-N 3.4Å; P405-D407 VanDerWaalsContact O-N 3.1Å; D407-E409 PolarHBondContact O-N 3.38Å; D407-T410 PolarHBondContact O-N 3.47Å; D407-T410 PolarHBondContact O-OG1 3.08Å
408P53.3Low61.6Low75 Ų7594.4 Ų94.449%0.48748%0.484SS..Hα-helixtrans-56.1-30.8-158.912.1-28.6000114S406 T410 V411 Y412S406-P408 WeakPolarHBondContact O-CD 3.45Å; S406-P408 VanDerWaalsContact O-N 3.09Å; P408-T410 PolarHBondContact O-N 3.41Å; P408-V411 PolarHBondContact O-N 3.47Å; P408-V411 VanDerWaalsContact O-N 3.09Å; P408-Y412 HydrophobicContact CB-CD2 4.15Å; P408-Y412 HydrophobicContact CB-CE2 4.2Å; P408-Y412 VanDerWaalsContact O-CD2 3.23Å; P408-Y412 WeakPolarHBondContact O-CD2 3.48Å; P408-Y412 PolarHBondContact O-N 3Å
409E47Very low60.3Low159 Ų15998.3 Ų98.374%0.74350%0.502SS*.Hα-helixtrans-49.9-34.1173.8-66.5-161.1149.400113.4D407 R413D407-E409 PolarHBondContact O-N 3.38Å; E409-R413 WeakPolarHBondContact O-CB 3.5Å; E409-R413 PolarHBondContact O-N 3.15Å
410T53.3Low59.3Low93 Ų9399.3 Ų99.357%0.57151%0.51SS*.Hα-helixtrans-72.1-35.5-178.458.50000113.8D407 P408D407-T410 PolarHBondContact O-N 3.47Å; D407-T410 PolarHBondContact O-OG1 3.08Å; P408-T410 PolarHBondContact O-N 3.41Å
411V50.9Low58.2Low77 Ų77104.8 Ų104.847%0.46754%0.535SS..Hα-helixtrans-79.2-44.6177.4-179.40000110P408 R413 G414 Q415P408-V411 PolarHBondContact O-N 3.47Å; P408-V411 VanDerWaalsContact O-N 3.09Å; V411-R413 PolarHBondContact O-N 2.95Å; V411-G414 PolarHBondContact O-N 3.21Å; V411-Q415 PolarHBondContact O-N 3.11Å
412Y49.6Very low57.3Low162 Ų162103.3 Ų103.364%0.63554%0.538SS*.Hα-helixtrans-67.1-36.2-179.7-79.3-107.1000111.9P408 G414 Q415 Q416P408-Y412 HydrophobicContact CB-CD2 4.15Å; P408-Y412 HydrophobicContact CB-CE2 4.2Å; P408-Y412 VanDerWaalsContact O-CD2 3.23Å; P408-Y412 WeakPolarHBondContact O-CD2 3.48Å; P408-Y412 PolarHBondContact O-N 3Å; Y412-G414 PolarHBondContact O-N 3.4Å; Y412-Q415 PolarHBondContact O-N 3.35Å; Y412-Q416 VanDerWaalsContact O-CB 3.3Å; Y412-Q416 WeakPolarHBondContact O-CB 3.29Å; Y412-Q416 PolarHBondContact O-N 2.95Å
413R51.2Low57Low160 Ų160105.1 Ų105.160%0.60454%0.538SS*.Hα-helixtrans-58.2-46.3174.6171.6176.8-88.6-75.74.8112.3E409 V411 Q415 Q416 D417E409-R413 WeakPolarHBondContact O-CB 3.5Å; E409-R413 PolarHBondContact O-N 3.15Å; V411-R413 PolarHBondContact O-N 2.95Å; R413-Q415 VanDerWaalsContact C-N 3.33Å; R413-Q415 PolarHBondContact O-N 3.09Å; R413-Q416 PolarHBondContact O-N 3Å; R413-Q416 VanDerWaalsContact O-N 3.17Å; R413-D417 WeakPolarHBondContact CG-OD2 3.48Å; R413-D417 IonicContact NH1-OD1 3.72Å; R413-D417 IonicContact NH1-OD2 3.34Å; R413-D417 PolarHBondContact NH1-OD2 3.29Å; R413-D417 WeakPolarHBondContact O-CB 3.26Å; R413-D417 PolarHBondContact O-N 3.48Å
414G53.5Low57.4Low37 Ų37107.5 Ų107.538%0.38156%0.556SS.*Hα-helixtrans-61.5-40.7-179.400000112.9V411 Y412 Q418V411-G414 PolarHBondContact O-N 3.21Å; Y412-G414 PolarHBondContact O-N 3.4Å; G414-Q418 WeakPolarHBondContact O-CG 3.49Å; G414-Q418 PolarHBondContact O-N 3.31Å
415Q52.1Low58.4Low111 Ų111107.9 Ų107.952%0.51955%0.55SS.*Hα-helixtrans-71.4-36.6173.2-74.2-175.5-24.400112.6V411 Y412 R413 Q418 I419V411-Q415 PolarHBondContact O-N 3.11Å; Y412-Q415 PolarHBondContact O-N 3.35Å; R413-Q415 VanDerWaalsContact C-N 3.33Å; R413-Q415 PolarHBondContact O-N 3.09Å; Q415-Q418 PolarHBondContact O-N 3.29Å; Q415-I419 WeakPolarHBondContact O-CB 3.4Å; Q415-I419 WeakPolarHBondContact O-CD1 3.4Å; Q415-I419 WeakPolarHBondContact O-CG1 3.21Å; Q415-I419 PolarHBondContact O-N 2.86Å
416Q53.8Low59.8Low94 Ų94104.2 Ų104.244%0.43953%0.531SS..Hα-helixtrans-69.1-42.7179.4-161.566.458.800111.9Y412 R413 Q418 I419 D420Y412-Q416 VanDerWaalsContact O-CB 3.3Å; Y412-Q416 WeakPolarHBondContact O-CB 3.29Å; Y412-Q416 PolarHBondContact O-N 2.95Å; R413-Q416 PolarHBondContact O-N 3Å; R413-Q416 VanDerWaalsContact O-N 3.17Å; Q416-Q418 PolarHBondContact O-N 2.87Å; Q416-I419 PolarHBondContact O-N 3.37Å; Q416-D420 PolarHBondContact NE2-OD1 3.33Å; Q416-D420 WeakPolarHBondContact O-CB 3.36Å; Q416-D420 PolarHBondContact O-N 2.96Å
417D59.7Low61.5Low87 Ų87105.7 Ų105.747%0.46554%0.535SS..Hα-helixtrans-63.2-31.2175.8-69.8-34.3000111R413 Q421R413-D417 WeakPolarHBondContact CG-OD2 3.48Å; R413-D417 IonicContact NH1-OD1 3.72Å; R413-D417 IonicContact NH1-OD2 3.34Å; R413-D417 PolarHBondContact NH1-OD2 3.29Å; R413-D417 WeakPolarHBondContact O-CB 3.26Å; R413-D417 PolarHBondContact O-N 3.48Å; D417-Q421 WeakPolarHBondContact O-CB 3.36Å; D417-Q421 PolarHBondContact O-N 3.01Å
418Q57.2Low62.9Low127 Ų127103.9 Ų103.959%0.59353%0.53SS*.Hα-helixtrans-73.1-48.6170.2-76.2-179.5-3100112.9G414 Q415 Q416 D420 Q421 D422G414-Q418 WeakPolarHBondContact O-CG 3.49Å; G414-Q418 PolarHBondContact O-N 3.31Å; Q415-Q418 PolarHBondContact O-N 3.29Å; Q416-Q418 PolarHBondContact O-N 2.87Å; Q418-D420 VanDerWaalsContact C-N 3.31Å; Q418-D420 PolarHBondContact O-N 2.98Å; Q418-Q421 PolarHBondContact O-N 2.68Å; Q418-Q421 VanDerWaalsContact O-N 3.14Å; Q418-D422 PolarHBondContact O-N 3.04Å
419I62.8Low64Low94 Ų94105.4 Ų105.448%0.48253%0.534SS..Hα-helixtrans-60.3-41.2179.7-72.6162.6000111Q415 Q416 Q421 Y423Q415-I419 WeakPolarHBondContact O-CB 3.4Å; Q415-I419 WeakPolarHBondContact O-CD1 3.4Å; Q415-I419 WeakPolarHBondContact O-CG1 3.21Å; Q415-I419 PolarHBondContact O-N 2.86Å; Q416-I419 PolarHBondContact O-N 3.37Å; I419-Q421 VanDerWaalsContact C-N 3.33Å; I419-Y423 WeakPolarHBondContact O-CB 3.33Å; I419-Y423 PolarHBondContact O-N 3.36Å
420D70.7Confident65.4Low83 Ų83103.3 Ų103.344%0.44452%0.524SS..Hα-helixtrans-69.4-32.2178.7-72.713000111.3Q416 Q418 L424Q416-D420 PolarHBondContact NE2-OD1 3.33Å; Q416-D420 WeakPolarHBondContact O-CB 3.36Å; Q416-D420 PolarHBondContact O-N 2.96Å; Q418-D420 VanDerWaalsContact C-N 3.31Å; Q418-D420 PolarHBondContact O-N 2.98Å; D420-L424 WeakPolarHBondContact O-CB 3.48Å; D420-L424 PolarHBondContact O-N 3.22Å
421Q66.3Low66.3Low136 Ų136105.8 Ų105.864%0.63653%0.529SS*.Hα-helixtrans-72.8-45.5174.9-177.3165.896.600112.3D417 Q418 I419 Y423 L424 M425D417-Q421 WeakPolarHBondContact O-CB 3.36Å; D417-Q421 PolarHBondContact O-N 3.01Å; Q418-Q421 PolarHBondContact O-N 2.68Å; Q418-Q421 VanDerWaalsContact O-N 3.14Å; I419-Q421 VanDerWaalsContact C-N 3.33Å; Q421-Y423 VanDerWaalsContact C-N 3.32Å; Q421-L424 PolarHBondContact O-N 3.03Å; Q421-M425 PolarHBondContact O-N 3.35Å
422D71.2Confident67.1Low103 Ų103105.3 Ų105.355%0.55152%0.522SS*.Hα-helixtrans-63-39.2173-80.2-12.4000111.3Q418 M425 A426Q418-D422 PolarHBondContact O-N 3.04Å; D422-M425 PolarHBondContact O-N 3.16Å; D422-A426 VanDerWaalsContact O-CB 3.28Å; D422-A426 WeakPolarHBondContact O-CB 3.4Å; D422-A426 PolarHBondContact O-N 2.64Å
423Y77.8Confident67.5Low142 Ų142103.2 Ų103.256%0.55752%0.518SS*.Hα-helixtrans-64.8-40.3175.1-179.3-103.4000111.9I419 Q421 A426 L427I419-Y423 WeakPolarHBondContact O-CB 3.33Å; I419-Y423 PolarHBondContact O-N 3.36Å; Q421-Y423 VanDerWaalsContact C-N 3.32Å; Y423-A426 PolarHBondContact O-N 3.36Å; Y423-L427 HydrophobicContact CE1-CD1 4.02Å; Y423-L427 HydrophobicContact CE2-CD1 3.92Å; Y423-L427 WeakPolarHBondContact O-CB 3.46Å; Y423-L427 PolarHBondContact O-N 3.16Å
424L79.3Confident67.8Low123 Ų123100.7 Ų100.764%0.64451%0.513SS*.Hα-helixtrans-62.4-43.4172.1-117.770.4000111.9D420 Q421 L427 S428D420-L424 WeakPolarHBondContact O-CB 3.48Å; D420-L424 PolarHBondContact O-N 3.22Å; Q421-L424 PolarHBondContact O-N 3.03Å; L424-L427 PolarHBondContact O-N 2.89Å; L424-S428 WeakPolarHBondContact O-CB 3.28Å; L424-S428 PolarHBondContact O-N 3.45Å
425M74.6Confident67.9Low111 Ų111101.8 Ų101.855%0.54752%0.515SS..Hα-helixtrans-65-42.5177.9-165-177.7-57.200111.4Q421 D422 S428 L429Q421-M425 PolarHBondContact O-N 3.35Å; D422-M425 PolarHBondContact O-N 3.16Å; M425-S428 PolarHBondContact O-N 3.1Å; M425-L429 HydrophobicContact CG-CD1 4.29Å; M425-L429 WeakPolarHBondContact O-CB 3.15Å; M425-L429 WeakPolarHBondContact O-CG 3.48Å; M425-L429 PolarHBondContact O-N 2.63Å
426A78.1Confident67.9Low53 Ų53101.1 Ų101.144%0.43851%0.512SS..Hα-helixtrans-64.9-38.8175.400000112.5D422 Y423 Q430D422-A426 VanDerWaalsContact O-CB 3.28Å; D422-A426 WeakPolarHBondContact O-CB 3.4Å; D422-A426 PolarHBondContact O-N 2.64Å; Y423-A426 PolarHBondContact O-N 3.36Å; A426-Q430 VanDerWaalsContact O-CB 3.24Å; A426-Q430 WeakPolarHBondContact O-CB 3.32Å; A426-Q430 PolarHBondContact O-N 3.5Å
427L81.2Confident67.7Low79 Ų79101.3 Ų101.341%0.41452%0.516SS..Hα-helixtrans-64.7-42.2173.4-12475.2000111.6Y423 L424 Q430 Q431Y423-L427 HydrophobicContact CE1-CD1 4.02Å; Y423-L427 HydrophobicContact CE2-CD1 3.92Å; Y423-L427 WeakPolarHBondContact O-CB 3.46Å; Y423-L427 PolarHBondContact O-N 3.16Å; L424-L427 PolarHBondContact O-N 2.89Å; L427-Q430 PolarHBondContact O-N 3.38Å; L427-Q431 WeakPolarHBondContact O-CB 3.48Å; L427-Q431 PolarHBondContact O-N 3.49Å
428S77.9Confident67.2Low75 Ų75101.9 Ų101.952%0.52452%0.518SS..Hα-helixtrans-62.8-48.6177.2-168.80000111.2L424 M425 Q430 Q431 E432L424-S428 WeakPolarHBondContact O-CB 3.28Å; L424-S428 PolarHBondContact O-N 3.45Å; M425-S428 PolarHBondContact O-N 3.1Å; S428-Q430 PolarHBondContact O-N 3.07Å; S428-Q431 PolarHBondContact O-N 3.35Å; S428-E432 WeakPolarHBondContact O-CB 3.37Å; S428-E432 PolarHBondContact O-N 3.04Å
429L76.4Confident66.7Low107 Ų107101.4 Ų101.456%0.5652%0.516SS*.Hα-helixtrans-60.9-42.4174.4-76.6166.8000112M425 E432 Q433M425-L429 HydrophobicContact CG-CD1 4.29Å; M425-L429 WeakPolarHBondContact O-CB 3.15Å; M425-L429 WeakPolarHBondContact O-CG 3.48Å; M425-L429 PolarHBondContact O-N 2.63Å; L429-E432 PolarHBondContact O-N 3.22Å; L429-Q433 VanDerWaalsContact O-CB 3.25Å; L429-Q433 WeakPolarHBondContact O-CB 3.2Å; L429-Q433 PolarHBondContact O-N 3.27Å
430Q76.6Confident66Low115 Ų115105.3 Ų105.354%0.53753%0.525SS..Hα-helixtrans-66.7-37.4177.3-175.817053.600112A426 L427 S428 Q434A426-Q430 VanDerWaalsContact O-CB 3.24Å; A426-Q430 WeakPolarHBondContact O-CB 3.32Å; A426-Q430 PolarHBondContact O-N 3.5Å; L427-Q430 PolarHBondContact O-N 3.38Å; S428-Q430 PolarHBondContact O-N 3.07Å; Q430-Q434 WeakPolarHBondContact O-CB 3.25Å; Q430-Q434 VanDerWaalsContact O-CG 3.28Å; Q430-Q434 WeakPolarHBondContact O-CG 3.45Å; Q430-Q434 PolarHBondContact O-N 3.34Å
431Q70.8Confident64.9Low145 Ų145109.8 Ų109.868%0.67854%0.543SS*.Hα-helixtrans-70-37.4175.2-172.4166.430.600111.7L427 S428 S435L427-Q431 WeakPolarHBondContact O-CB 3.48Å; L427-Q431 PolarHBondContact O-N 3.49Å; S428-Q431 PolarHBondContact O-N 3.35Å; Q431-S435 WeakPolarHBondContact O-CB 3.31Å; Q431-S435 PolarHBondContact O-N 3.05Å
432E67.8Low64.1Low68 Ų68110.3 Ų110.332%0.31855%0.545SS..Hα-helixtrans-68.7-43.4174.8-167151.6-109.300111.3S428 L429 S435 Q436 R463S428-E432 WeakPolarHBondContact O-CB 3.37Å; S428-E432 PolarHBondContact O-N 3.04Å; L429-E432 PolarHBondContact O-N 3.22Å; E432-S435 WeakPolarHBondContact CA-OG 3.19Å; E432-S435 PolarHBondContact O-N 3.29Å; E432-S435 VanDerWaalsContact O-N 3.14Å; E432-S435 PolarHBondContact O-OG 2.76Å; E432-Q436 WeakPolarHBondContact O-CG 3.42Å; E432-Q436 PolarHBondContact O-N 3.42Å; E432-R463 IonicContact OE1-CZ 3.73Å; E432-R463 IonicContact OE1-NH1 3.06Å; E432-R463 PolarHBondContact OE1-NH1 3.11Å; E432-R463 IonicContact OE1-NH2 3.61Å
433Q59.4Low62.9Low118 Ų118108.3 Ų108.355%0.55153%0.534SS*.Hα-helixtrans-57.6-49.6172.9-164.990.668.400111.4L429 S435 Q436 D437L429-Q433 VanDerWaalsContact O-CB 3.25Å; L429-Q433 WeakPolarHBondContact O-CB 3.2Å; L429-Q433 PolarHBondContact O-N 3.27Å; Q433-S435 VanDerWaalsContact C-N 3.3Å; Q433-S435 PolarHBondContact O-N 2.93Å; Q433-Q436 PolarHBondContact O-N 2.81Å; Q433-Q436 VanDerWaalsContact O-N 3.16Å; Q433-D437 PolarHBondContact O-N 3.39Å
434Q57.6Low61.6Low107 Ų107106.1 Ų106.150%0.554%0.538SS..Hα-helixtrans-62.3-35.9175.2-75.7177.712.300112.3Q430 Q436 L438Q430-Q434 WeakPolarHBondContact O-CB 3.25Å; Q430-Q434 VanDerWaalsContact O-CG 3.28Å; Q430-Q434 WeakPolarHBondContact O-CG 3.45Å; Q430-Q434 PolarHBondContact O-N 3.34Å; Q434-Q436 VanDerWaalsContact C-N 3.35Å; Q434-L438 VanDerWaalsContact O-CB 3.28Å; Q434-L438 WeakPolarHBondContact O-CB 3.32Å; Q434-L438 WeakPolarHBondContact O-CD1 3.12Å; Q434-L438 WeakPolarHBondContact O-CG 3.18Å; Q434-L438 PolarHBondContact O-N 3.26Å
435S55.4Low60.2Low59 Ų59110.1 Ų110.141%0.41355%0.553SS.*Hα-helixtrans-67.6-35.1175.478.70000112.3Q431 E432 Q433 Q439Q431-S435 WeakPolarHBondContact O-CB 3.31Å; Q431-S435 PolarHBondContact O-N 3.05Å; E432-S435 WeakPolarHBondContact CA-OG 3.19Å; E432-S435 PolarHBondContact O-N 3.29Å; E432-S435 VanDerWaalsContact O-N 3.14Å; E432-S435 PolarHBondContact O-OG 2.76Å; Q433-S435 VanDerWaalsContact C-N 3.3Å; Q433-S435 PolarHBondContact O-N 2.93Å; S435-Q439 WeakPolarHBondContact O-CB 3.34Å; S435-Q439 PolarHBondContact O-N 3.26Å
436Q51Low59.1Low98 Ų98108.6 Ų108.646%0.45857%0.565SS.*Hα-helixtrans-69.8-45.8174-69.5-179.935.600111.6E432 Q433 Q434 L438 Q439 W440E432-Q436 WeakPolarHBondContact O-CG 3.42Å; E432-Q436 PolarHBondContact O-N 3.42Å; Q433-Q436 PolarHBondContact O-N 2.81Å; Q433-Q436 VanDerWaalsContact O-N 3.16Å; Q434-Q436 VanDerWaalsContact C-N 3.35Å; Q436-L438 PolarHBondContact O-N 3.02Å; Q436-Q439 VanDerWaalsContact O-CB 3.31Å; Q436-Q439 WeakPolarHBondContact O-CB 3.33Å; Q436-Q439 PolarHBondContact O-N 3.27Å; Q436-Q439 VanDerWaalsContact O-N 3.1Å; Q436-W440 PolarHBondContact O-N 2.84Å; Q436-W440 VanDerWaalsContact O-N 3.13Å
437D50.2Low58.1Low97 Ų97109.9 Ų109.952%0.51956%0.564SS.*Hα-helixtrans-61.2-43.4176.9-72.2-24.9000111.6Q433 Q439 W440 E441Q433-D437 PolarHBondContact O-N 3.39Å; D437-Q439 VanDerWaalsContact C-N 3.28Å; D437-Q439 PolarHBondContact O-N 3.26Å; D437-W440 PolarHBondContact O-N 3.35Å; D437-E441 PolarHBondContact O-N 3.15Å
438L50Low57.3Low99 Ų99109.3 Ų109.352%0.51857%0.567SS.*Hα-helixtrans-65.2-28.9174.2-73.5167.7000113.2Q434 Q436 Q442Q434-L438 VanDerWaalsContact O-CB 3.28Å; Q434-L438 WeakPolarHBondContact O-CB 3.32Å; Q434-L438 WeakPolarHBondContact O-CD1 3.12Å; Q434-L438 WeakPolarHBondContact O-CG 3.18Å; Q434-L438 PolarHBondContact O-N 3.26Å; Q436-L438 PolarHBondContact O-N 3.02Å; L438-Q442 WeakPolarHBondContact O-CG 3.32Å
439Q45.5Very low56.5Low118 Ų118112.1 Ų112.155%0.55158%0.576SS**Hα-helixtrans-69.7-36.9175.5-163.889.2-33.700111.3S435 Q436 D437S435-Q439 WeakPolarHBondContact O-CB 3.34Å; S435-Q439 PolarHBondContact O-N 3.26Å; Q436-Q439 VanDerWaalsContact O-CB 3.31Å; Q436-Q439 WeakPolarHBondContact O-CB 3.33Å; Q436-Q439 PolarHBondContact O-N 3.27Å; Q436-Q439 VanDerWaalsContact O-N 3.1Å; D437-Q439 VanDerWaalsContact C-N 3.28Å; D437-Q439 PolarHBondContact O-N 3.26Å
440W48.3Very low56.4Low176 Ų176113.7 Ų113.767%0.66758%0.584SS**Hα-helixtrans-71.7-38.8-177.6-73.9115.7000113.6Q436 D437 Q442 L443Q436-W440 PolarHBondContact O-N 2.84Å; Q436-W440 VanDerWaalsContact O-N 3.13Å; D437-W440 PolarHBondContact O-N 3.35Å; W440-Q442 VanDerWaalsContact C-N 3.27Å; W440-Q442 PolarHBondContact O-N 2.85Å; W440-L443 HydrophobicContact CE3-CD1 3.69Å; W440-L443 HydrophobicContact CZ3-CD1 3.96Å
441E47.3Very low56.4Low176 Ų176114.2 Ų114.282%0.82259%0.587SS**THydrogen-bonded Turntrans-73.4-11.8-179.7-69.5-160.1140.900114.5D437D437-E441 PolarHBondContact O-N 3.15Å
442Q49.2Very low56.6Low147 Ų147109.4 Ų109.469%0.68757%0.565SS**THydrogen-bonded Turntrans-112.88.8-171.1-61.3-172.928.500114.8L438 W440 P444L438-Q442 WeakPolarHBondContact O-CG 3.32Å; W440-Q442 VanDerWaalsContact C-N 3.27Å; W440-Q442 PolarHBondContact O-N 2.85Å; Q442-P444 WeakPolarHBondContact O-CD 3.28Å
443L46.2Very low56.9Low61 Ų61109 Ų10932%0.31957%0.574SS.*  trans-71.4121.2175.8-68.3168.1000111.2W440 E445 I447 L452W440-L443 HydrophobicContact CE3-CD1 3.69Å; W440-L443 HydrophobicContact CZ3-CD1 3.96Å; L443-E445 PolarHBondContact O-N 3.41Å; L443-I447 HydrophobicContact CD2-CD1 3.78Å; L443-L452 HydrophobicContact CD2-CD1 4.13Å; L443-L452 HydrophobicContact CD2-CD2 4.32Å
444P52.1Low57.8Low96 Ų96110.3 Ų110.362%0.62358%0.578SS**  trans-68.7128.2171.9-18.232.8000110.8Q442 G446 I447Q442-P444 WeakPolarHBondContact O-CD 3.28Å; P444-G446 PolarHBondContact O-N 3.18Å; P444-I447 VanDerWaalsContact O-CG1 3.31Å; P444-I447 WeakPolarHBondContact O-CG1 3.39Å
445E49.2Very low58.9Low208 Ų208111.8 Ų111.897%0.97258%0.582SS**THydrogen-bonded Turntrans-56.9107.3174.5-66-173.2138.200110.6L443L443-E445 PolarHBondContact O-N 3.41Å
446G51.6Low59.8Low78 Ų78113.4 Ų113.480%0.80459%0.586SS**THydrogen-bonded Turntrans139.1-9.8176.100000116.9P444P444-G446 PolarHBondContact O-N 3.18Å
447I57Low61.2Low80 Ų80113.5 Ų113.541%0.4159%0.586SS.*  trans-67.3137.31687.6174.7000110L443 P444L443-I447 HydrophobicContact CD2-CD1 3.78Å; P444-I447 VanDerWaalsContact O-CG1 3.31Å; P444-I447 WeakPolarHBondContact O-CG1 3.39Å
448S65.1Low62.5Low67 Ų67114.7 Ų114.747%0.46959%0.589SS.*  trans-80.5140.1175.6-174.80000110.9L450 E451 L452S448-L450 PolarHBondContact O-N 3.03Å; S448-E451 PolarHBondContact O-N 3.17Å; S448-L452 PolarHBondContact O-N 2.94Å
449D60.2Low63.9Low134 Ų134114.1 Ų114.172%0.71758%0.584SS**Hα-helixtrans-46.4-37.2175.1-67.4-6.8000113E451 L452 A453D449-E451 PolarHBondContact O-N 3.38Å; D449-L452 PolarHBondContact O-N 2.57Å; D449-A453 WeakPolarHBondContact O-CB 3.44Å; D449-A453 PolarHBondContact O-N 3.04Å
450L73.8Confident65Low140 Ų140114.3 Ų114.373%0.73358%0.584SS**Hα-helixtrans-64.2-37.6178.7-171.871.8000112.7S448 K454S448-L450 PolarHBondContact O-N 3.03Å; L450-K454 VanDerWaalsContact O-CB 3.3Å; L450-K454 WeakPolarHBondContact O-CB 3.48Å; L450-K454 PolarHBondContact O-N 3.34Å; L450-K454 VanDerWaalsContact O-N 3.15Å
451E76.4Confident66.3Low126 Ų126110.6 Ų110.659%0.58958%0.578SS**Hα-helixtrans-77.5-37.6177.3-64.5-172.6126.200111.3S448 D449 K455S448-E451 PolarHBondContact O-N 3.17Å; D449-E451 PolarHBondContact O-N 3.38Å; E451-K455 VanDerWaalsContact O-CB 3.31Å; E451-K455 WeakPolarHBondContact O-CB 3.38Å; E451-K455 PolarHBondContact O-N 3.09Å
452L74.9Confident68Low44 Ų44108.1 Ų108.123%0.2356%0.561CS.*Hα-helixtrans-65-48.1175.5-177.559.2000111.5L443 S448 D449 K454 K455 L456L443-L452 HydrophobicContact CD2-CD1 4.13Å; L443-L452 HydrophobicContact CD2-CD2 4.32Å; S448-L452 PolarHBondContact O-N 2.94Å; D449-L452 PolarHBondContact O-N 2.57Å; L452-K454 PolarHBondContact O-N 3.01Å; L452-K455 PolarHBondContact O-N 3.48Å; L452-L456 HydrophobicContact CG-CD1 4.37Å; L452-L456 PolarHBondContact O-N 3.38Å
453A75.3Confident69.4Low60 Ų60109 Ų10950%0.49656%0.558SS.*Hα-helixtrans-60.9-43.7176.100000111.9D449 K455 L456 Q457D449-A453 WeakPolarHBondContact O-CB 3.44Å; D449-A453 PolarHBondContact O-N 3.04Å; A453-K455 VanDerWaalsContact C-N 3.33Å; A453-K455 PolarHBondContact O-N 3.1Å; A453-L456 PolarHBondContact O-N 2.88Å; A453-Q457 PolarHBondContact O-N 3.49Å
454K77.4Confident70.7Confident145 Ų145108.3 Ų108.363%0.6356%0.561SS**Hα-helixtrans-62.3-40.8175.6-172-172.2174.1-160.50112L450 L452 Q457 E458L450-K454 VanDerWaalsContact O-CB 3.3Å; L450-K454 WeakPolarHBondContact O-CB 3.48Å; L450-K454 PolarHBondContact O-N 3.34Å; L450-K454 VanDerWaalsContact O-N 3.15Å; L452-K454 PolarHBondContact O-N 3.01Å; K454-Q457 PolarHBondContact O-N 3.06Å; K454-E458 PolarHBondContact O-N 3.49Å
455K81.1Confident72.1Confident138 Ų138107.5 Ų107.560%0.656%0.558SS**Hα-helixtrans-66.8-38.7178.8-171-176.7176.5-166.30111.8E451 L452 A453 E458 E459E451-K455 VanDerWaalsContact O-CB 3.31Å; E451-K455 WeakPolarHBondContact O-CB 3.38Å; E451-K455 PolarHBondContact O-N 3.09Å; L452-K455 PolarHBondContact O-N 3.48Å; A453-K455 VanDerWaalsContact C-N 3.33Å; A453-K455 PolarHBondContact O-N 3.1Å; K455-E458 PolarHBondContact O-N 2.95Å; K455-E459 WeakPolarHBondContact O-CB 3.43Å; K455-E459 PolarHBondContact O-N 2.88Å
456L74.5Confident73.6Confident94 Ų94103 Ų10349%0.49254%0.537SS..Hα-helixtrans-62.4-42.8172.6-75.9164.9000111.6L452 A453 E458 E459 E460L452-L456 HydrophobicContact CG-CD1 4.37Å; L452-L456 PolarHBondContact O-N 3.38Å; A453-L456 PolarHBondContact O-N 2.88Å; L456-E458 PolarHBondContact O-N 2.99Å; L456-E459 WeakPolarHBondContact O-CB 3.32Å; L456-E459 PolarHBondContact O-N 3.01Å; L456-E460 WeakPolarHBondContact O-CB 3.45Å; L456-E460 PolarHBondContact O-N 3.06Å
457Q79.2Confident74.9Confident99 Ų99106.4 Ų106.446%0.46353%0.526SS..Hα-helixtrans-61.4-41.8176.1-162.169.977.600112.4A453 K454 E459 E460 D461A453-Q457 PolarHBondContact O-N 3.49Å; K454-Q457 PolarHBondContact O-N 3.06Å; Q457-E459 VanDerWaalsContact C-N 3.35Å; Q457-E460 PolarHBondContact NE2-OE2 3.16Å; Q457-E460 PolarHBondContact O-N 2.85Å; Q457-D461 WeakPolarHBondContact O-CB 3.38Å; Q457-D461 PolarHBondContact O-N 2.99Å
458E79.3Confident75.8Confident122 Ų122110.3 Ų110.357%0.5754%0.537SS*.Hα-helixtrans-72.4-26.2178.6-170.7167.8-154.200112.9K454 K455 L456 R462K454-E458 PolarHBondContact O-N 3.49Å; K455-E458 PolarHBondContact O-N 2.95Å; L456-E458 PolarHBondContact O-N 2.99Å; E458-R462 VanDerWaalsContact O-CB 3.28Å; E458-R462 WeakPolarHBondContact O-CB 3.41Å; E458-R462 PolarHBondContact O-N 2.66Å
459E77.9Confident76.6Confident88 Ų88113.2 Ų113.241%0.41154%0.543SS..Hα-helixtrans-71.6-43.6170.7-168.775.6-132.800111K455 L456 Q457 R462 R463K455-E459 WeakPolarHBondContact O-CB 3.43Å; K455-E459 PolarHBondContact O-N 2.88Å; L456-E459 WeakPolarHBondContact O-CB 3.32Å; L456-E459 PolarHBondContact O-N 3.01Å; Q457-E459 VanDerWaalsContact C-N 3.35Å; E459-R462 PolarHBondContact O-N 3.18Å; E459-R462 IonicContact OE1-CZ 3.6Å; E459-R462 IonicContact OE1-NE 3.96Å; E459-R462 IonicContact OE1-NH2 2.61Å; E459-R462 PolarHBondContact OE1-NH2 3.09Å; E459-R462 IonicContact OE2-CZ 3.79Å; E459-R462 IonicContact OE2-NH2 2.83Å; E459-R462 PolarHBondContact OE2-NH2 2.88Å; E459-R463 PolarHBondContact O-N 3.3Å
460E69.2Low77.5Confident121 Ų121113.1 Ų113.157%0.56554%0.538SS*.Hα-helixtrans-67.4-49.7177.5-172.7175.9-137.400112.1L456 Q457 R462 R463 A464L456-E460 WeakPolarHBondContact O-CB 3.45Å; L456-E460 PolarHBondContact O-N 3.06Å; Q457-E460 PolarHBondContact NE2-OE2 3.16Å; Q457-E460 PolarHBondContact O-N 2.85Å; E460-R462 PolarHBondContact O-N 3.34Å; E460-R463 PolarHBondContact O-N 2.66Å; E460-A464 PolarHBondContact O-N 3.4Å
461D75.1Confident77.8Confident98 Ų98110 Ų11052%0.52452%0.52SS..Hα-helixtrans-55-38.7174.5-82.3-14.2000111.4Q457 S465Q457-D461 WeakPolarHBondContact O-CB 3.38Å; Q457-D461 PolarHBondContact O-N 2.99Å; D461-S465 VanDerWaalsContact O-CB 3.29Å; D461-S465 WeakPolarHBondContact O-CB 3.5Å; D461-S465 PolarHBondContact O-N 2.89Å; D461-S465 PolarHBondContact O-OG 2.75Å
462R83Confident77.9Confident125 Ų125110.9 Ų110.947%0.47252%0.524SS..Hα-helixtrans-67.3-43.1176178.8171.570.9-149.37.6112E458 E459 E460 S465 Q466E458-R462 VanDerWaalsContact O-CB 3.28Å; E458-R462 WeakPolarHBondContact O-CB 3.41Å; E458-R462 PolarHBondContact O-N 2.66Å; E459-R462 PolarHBondContact O-N 3.18Å; E459-R462 IonicContact OE1-CZ 3.6Å; E459-R462 IonicContact OE1-NE 3.96Å; E459-R462 IonicContact OE1-NH2 2.61Å; E459-R462 PolarHBondContact OE1-NH2 3.09Å; E459-R462 IonicContact OE2-CZ 3.79Å; E459-R462 IonicContact OE2-NH2 2.83Å; E459-R462 PolarHBondContact OE2-NH2 2.88Å; E460-R462 PolarHBondContact O-N 3.34Å; R462-S465 PolarHBondContact O-N 3.47Å; R462-Q466 WeakPolarHBondContact O-CG 3.27Å; R462-Q466 PolarHBondContact O-N 3.4Å
463R78.8Confident78Confident164 Ų164115.1 Ų115.162%0.61954%0.543SS*.Hα-helixtrans-67.2-42.1179.6-153.9174.5-171.6-167.9-0.8110.8E432 E459 E460 Q466 Y467E432-R463 IonicContact OE1-CZ 3.73Å; E432-R463 IonicContact OE1-NH1 3.06Å; E432-R463 PolarHBondContact OE1-NH1 3.11Å; E432-R463 IonicContact OE1-NH2 3.61Å; E459-R463 PolarHBondContact O-N 3.3Å; E460-R463 PolarHBondContact O-N 2.66Å; R463-Q466 PolarHBondContact O-N 3.19Å; R463-Y467 PolarHBondContact O-N 3.07Å
464A74.3Confident78.1Confident48 Ų48118.9 Ų118.940%0.39755%0.55SS.*Hα-helixtrans-62.5-41.7172.200000112.4E460 Q466 Y467 Y468E460-A464 PolarHBondContact O-N 3.4Å; A464-Q466 VanDerWaalsContact C-N 3.33Å; A464-Q466 PolarHBondContact O-N 3.46Å; A464-Y467 PolarHBondContact O-N 2.72Å; A464-Y468 WeakPolarHBondContact O-CD2 3.49Å; A464-Y468 PolarHBondContact O-N 3.41Å
465S80.3Confident77.9Confident78 Ų78118.1 Ų118.155%0.54555%0.549SS..Hα-helixtrans-63.3-36.7176.2-62.10000112.8D461 R462 Q469D461-S465 VanDerWaalsContact O-CB 3.29Å; D461-S465 WeakPolarHBondContact O-CB 3.5Å; D461-S465 PolarHBondContact O-N 2.89Å; D461-S465 PolarHBondContact O-OG 2.75Å; R462-S465 PolarHBondContact O-N 3.47Å; S465-Q469 WeakPolarHBondContact O-CB 3.34Å; S465-Q469 PolarHBondContact O-N 3.33Å; S465-Q469 VanDerWaalsContact O-N 3.17Å
466Q81.4Confident77.8Confident114 Ų114114.5 Ų114.553%0.53355%0.545SS..Hα-helixtrans-66.9-48174.5-75.1174.2-21.400111.2R462 R463 A464 Y468 Q469 E470R462-Q466 WeakPolarHBondContact O-CG 3.27Å; R462-Q466 PolarHBondContact O-N 3.4Å; R463-Q466 PolarHBondContact O-N 3.19Å; A464-Q466 VanDerWaalsContact C-N 3.33Å; A464-Q466 PolarHBondContact O-N 3.46Å; Q466-Y468 PolarHBondContact O-N 3.03Å; Q466-Q469 PolarHBondContact O-N 3.08Å; Q466-Q469 VanDerWaalsContact O-N 3.11Å; Q466-E470 WeakPolarHBondContact O-CB 3.38Å; Q466-E470 PolarHBondContact O-N 3.13Å
467Y79.2Confident77.8Confident149 Ų149113 Ų11358%0.58455%0.545SS*.Hα-helixtrans-58-43.9177.8-179.1-100.6000112.8R463 A464 Q469 E470 Q471R463-Y467 PolarHBondContact O-N 3.07Å; A464-Y467 PolarHBondContact O-N 2.72Å; Y467-Q469 PolarHBondContact O-N 3.46Å; Y467-E470 PolarHBondContact O-N 2.93Å; Y467-Q471 WeakPolarHBondContact O-CB 3.2Å; Y467-Q471 PolarHBondContact O-N 2.97Å
468Y75.2Confident77.5Confident163 Ų163111.2 Ų111.264%0.63955%0.548SS*.Hα-helixtrans-62-41.5174.1-94.6-70.8000112.9A464 Q466 Q471 E472A464-Y468 WeakPolarHBondContact O-CD2 3.49Å; A464-Y468 PolarHBondContact O-N 3.41Å; Q466-Y468 PolarHBondContact O-N 3.03Å; Y468-Q471 PolarHBondContact O-N 2.85Å; Y468-E472 WeakPolarHBondContact O-CB 3.5Å; Y468-E472 PolarHBondContact O-N 3.45Å
469Q81.3Confident77.1Confident128 Ų128107.9 Ų107.960%0.59854%0.541SS*.Hα-helixtrans-68.9-33.2178.8177160.985.800112.7S465 Q466 Y467 Q473S465-Q469 WeakPolarHBondContact O-CB 3.34Å; S465-Q469 PolarHBondContact O-N 3.33Å; S465-Q469 VanDerWaalsContact O-N 3.17Å; Q466-Q469 PolarHBondContact O-N 3.08Å; Q466-Q469 VanDerWaalsContact O-N 3.11Å; Y467-Q469 PolarHBondContact O-N 3.46Å; Q469-Q473 WeakPolarHBondContact O-CG 3.27Å; Q469-Q473 PolarHBondContact O-N 2.85Å; Q469-Q473 VanDerWaalsContact O-N 3.09Å
470E80.8Confident76.8Confident131 Ų131106.4 Ų106.461%0.61254%0.544SS*.Hα-helixtrans-70.7-44.4175.7-163.2156.4-131.100110.8Q466 Y467 E472 Q473 E474Q466-E470 WeakPolarHBondContact O-CB 3.38Å; Q466-E470 PolarHBondContact O-N 3.13Å; Y467-E470 PolarHBondContact O-N 2.93Å; E470-E472 VanDerWaalsContact C-N 3.34Å; E470-E472 PolarHBondContact O-N 3.4Å; E470-Q473 WeakPolarHBondContact O-CB 3.45Å; E470-Q473 PolarHBondContact O-N 3.44Å; E470-Q473 VanDerWaalsContact O-N 3.1Å; E470-E474 PolarHBondContact O-N 2.75Å
471Q79Confident76.7Confident74 Ų74103.3 Ų103.335%0.34654%0.539SS..Hα-helixtrans-61.5-37.5172.9-173.2175.898.100112.8Y467 Y468 Q473 E474 Q475Y467-Q471 WeakPolarHBondContact O-CB 3.2Å; Y467-Q471 PolarHBondContact O-N 2.97Å; Y468-Q471 PolarHBondContact O-N 2.85Å; Q471-Q473 VanDerWaalsContact C-N 3.35Å; Q471-E474 PolarHBondContact O-N 3.48Å; Q471-Q475 WeakPolarHBondContact O-CG 3.36Å; Q471-Q475 PolarHBondContact O-N 3.16Å
472E78.8Confident76.2Confident145 Ų145101.5 Ų101.568%0.67854%0.538SS*.Hα-helixtrans-67.6-34.6174.3-158.6-177.5153.200111.6Y468 E470 A476Y468-E472 WeakPolarHBondContact O-CB 3.5Å; Y468-E472 PolarHBondContact O-N 3.45Å; E470-E472 VanDerWaalsContact C-N 3.34Å; E470-E472 PolarHBondContact O-N 3.4Å; E472-A476 WeakPolarHBondContact O-CB 3.35Å; E472-A476 PolarHBondContact O-N 2.79Å
473Q76.6Confident75.3Confident134 Ų134102.1 Ų102.163%0.62655%0.546SS*.Hα-helixtrans-69-40.1172.1-76.6-170.315.100112.9Q469 E470 Q471 A476 A477Q469-Q473 WeakPolarHBondContact O-CG 3.27Å; Q469-Q473 PolarHBondContact O-N 2.85Å; Q469-Q473 VanDerWaalsContact O-N 3.09Å; E470-Q473 WeakPolarHBondContact O-CB 3.45Å; E470-Q473 PolarHBondContact O-N 3.44Å; E470-Q473 VanDerWaalsContact O-N 3.1Å; Q471-Q473 VanDerWaalsContact C-N 3.35Å; Q473-A476 PolarHBondContact O-N 3.16Å; Q473-A477 WeakPolarHBondContact O-CB 3.46Å; Q473-A477 PolarHBondContact O-N 3.08Å
474E78.1Confident74.4Confident139 Ų13997.4 Ų97.465%0.6554%0.542SS*.Hα-helixtrans-62.6-43.9174.9-73.2-161.7121.700111.8E470 Q471 A476 A477 A478E470-E474 PolarHBondContact O-N 2.75Å; Q471-E474 PolarHBondContact O-N 3.48Å; E474-A476 VanDerWaalsContact C-N 3.34Å; E474-A476 PolarHBondContact O-N 2.93Å; E474-A477 PolarHBondContact O-N 3.33Å; E474-A478 WeakPolarHBondContact O-CB 3.36Å; E474-A478 PolarHBondContact O-N 2.81Å
475Q73.8Confident73.6Confident129 Ų129103 Ų10360%0.60356%0.56SS**Hα-helixtrans-62.3-40.7175-71.1-175.414.100112Q471 A479Q471-Q475 WeakPolarHBondContact O-CG 3.36Å; Q471-Q475 PolarHBondContact O-N 3.16Å; Q475-A479 WeakPolarHBondContact O-CB 3.48Å; Q475-A479 PolarHBondContact O-N 3.39Å
476A77.4Confident72.4Confident62 Ų62103.1 Ų103.151%0.51257%0.566SS.*Hα-helixtrans-65.5-39.3174.800000112.6E472 Q473 E474 A479 A480E472-A476 WeakPolarHBondContact O-CB 3.35Å; E472-A476 PolarHBondContact O-N 2.79Å; Q473-A476 PolarHBondContact O-N 3.16Å; E474-A476 VanDerWaalsContact C-N 3.34Å; E474-A476 PolarHBondContact O-N 2.93Å; A476-A479 PolarHBondContact O-N 3.26Å; A476-A480 WeakPolarHBondContact O-CB 3.38Å; A476-A480 PolarHBondContact O-N 3.46Å
477A75.2Confident71Confident61 Ų61105.7 Ų105.750%0.50458%0.578SS.*Hα-helixtrans-67.9-42.3176.900000112Q473 E474 A480 A481Q473-A477 WeakPolarHBondContact O-CB 3.46Å; Q473-A477 PolarHBondContact O-N 3.08Å; E474-A477 PolarHBondContact O-N 3.33Å; A477-A480 PolarHBondContact O-N 3.35Å; A477-A481 WeakPolarHBondContact O-CB 3.45Å; A477-A481 PolarHBondContact O-N 2.92Å
478A72.1Confident69.6Low62 Ų62101.6 Ų101.651%0.51258%0.581SS.*Hα-helixtrans-61.9-43.3174.200000111.7E474 A480 A481 A482E474-A478 WeakPolarHBondContact O-CB 3.36Å; E474-A478 PolarHBondContact O-N 2.81Å; A478-A480 PolarHBondContact O-N 3.47Å; A478-A481 PolarHBondContact O-N 3.47Å; A478-A482 PolarHBondContact O-N 2.81Å
479A72Confident68.1Low52 Ų5298.8 Ų98.843%0.4359%0.591SS.*Hα-helixtrans-62.6-39.9174.700000112.5Q475 A476 Q483Q475-A479 WeakPolarHBondContact O-CB 3.48Å; Q475-A479 PolarHBondContact O-N 3.39Å; A476-A479 PolarHBondContact O-N 3.26Å; A479-Q483 WeakPolarHBondContact O-CG 3.39Å; A479-Q483 PolarHBondContact O-N 2.99Å; A479-Q483 VanDerWaalsContact O-N 3.12Å
480A72.1Confident66.5Low57 Ų5796 Ų9647%0.47160%0.597SS.*Hα-helixtrans-66.8-4017500000112.5A476 A477 A478 Q483 A484A476-A480 WeakPolarHBondContact O-CB 3.38Å; A476-A480 PolarHBondContact O-N 3.46Å; A477-A480 PolarHBondContact O-N 3.35Å; A478-A480 PolarHBondContact O-N 3.47Å; A480-Q483 PolarHBondContact O-N 2.9Å; A480-A484 PolarHBondContact O-N 3.09Å
481A66.6Low64.5Low57 Ų5794.7 Ų94.747%0.47161%0.608SS.*Hα-helixtrans-63.7-41.9175.900000112.1A477 A478 Q483 A484 Q485A477-A481 WeakPolarHBondContact O-CB 3.45Å; A477-A481 PolarHBondContact O-N 2.92Å; A478-A481 PolarHBondContact O-N 3.47Å; A481-Q483 PolarHBondContact O-N 2.97Å; A481-A484 PolarHBondContact O-N 3.23Å; A481-Q485 PolarHBondContact O-N 3.35Å
482A64.4Low62.4Low60 Ų6095.7 Ų95.750%0.49663%0.63SS.*Hα-helixtrans-61.9-40.8174.300000112.2A478 Q485 A486A478-A482 PolarHBondContact O-N 2.81Å; A482-Q485 PolarHBondContact O-N 2.75Å; A482-A486 PolarHBondContact O-N 3.36Å
483Q63.4Low60.7Low138 Ų13895.4 Ų95.465%0.64564%0.64SS**Hα-helixtrans-66.8-34.9174.2-71.9-175.79.100112.9A479 A480 A481 A486 Q487A479-Q483 WeakPolarHBondContact O-CG 3.39Å; A479-Q483 PolarHBondContact O-N 2.99Å; A479-Q483 VanDerWaalsContact O-N 3.12Å; A480-Q483 PolarHBondContact O-N 2.9Å; A481-Q483 PolarHBondContact O-N 2.97Å; Q483-A486 PolarHBondContact O-N 3.06Å; Q483-Q487 PolarHBondContact O-N 3.1Å
484A60.4Low58.7Low64 Ų6494 Ų9453%0.52965%0.651SS.*Hα-helixtrans-66.1-42.3175.800000112.2A480 A481 A486 Q487 G488A480-A484 PolarHBondContact O-N 3.09Å; A481-A484 PolarHBondContact O-N 3.23Å; A484-A486 VanDerWaalsContact C-N 3.3Å; A484-A486 PolarHBondContact O-N 3.4Å; A484-Q487 PolarHBondContact O-N 3.43Å; A484-G488 PolarHBondContact O-N 3.13Å
485Q57.3Low56.5Low165 Ų16591.3 Ų91.377%0.77166%0.661SS**Hα-helixtrans-61.4-37.5174.5-76.5-174.8-25.900112.3A481 A482 Q487 G488A481-Q485 PolarHBondContact O-N 3.35Å; A482-Q485 PolarHBondContact O-N 2.75Å; Q485-Q487 PolarHBondContact O-N 2.98Å; Q485-G488 PolarHBondContact O-N 2.83Å
486A54.8Low54.5Low81 Ų8188.8 Ų88.867%0.66967%0.67SS**Hα-helixtrans-65.1-20.2176.900000114.4A482 Q483 A484A482-A486 PolarHBondContact O-N 3.36Å; Q483-A486 PolarHBondContact O-N 3.06Å; A484-A486 VanDerWaalsContact C-N 3.3Å; A484-A486 PolarHBondContact O-N 3.4Å
487Q53Low52.3Low169 Ų16991.9 Ų91.979%0.7969%0.688SS**Hα-helixtrans-102.2-7.5179.4-64.4-172.88.600114.1Q483 A484 Q485 A489Q483-Q487 PolarHBondContact O-N 3.1Å; A484-Q487 PolarHBondContact O-N 3.43Å; Q485-Q487 PolarHBondContact O-N 2.98Å; Q487-A489 VanDerWaalsContact C-N 3.35Å; Q487-A489 PolarHBondContact O-N 3.44Å
488G49.3Very low50.3Low62 Ų6295.4 Ų95.464%0.63970%0.703SS**SBendtrans-73-19.9-178.800000115.4A484 Q485 G490A484-G488 PolarHBondContact O-N 3.13Å; Q485-G488 PolarHBondContact O-N 2.83Å; G488-G490 VanDerWaalsContact C-N 3.28Å; G488-G490 PolarHBondContact O-N 3.29Å
489A44.4Very low48.3Very low104 Ų10498.2 Ų98.286%0.8672%0.719SS**SBendtrans-82.353.3-172.300000113.9Q487Q487-A489 VanDerWaalsContact C-N 3.35Å; Q487-A489 PolarHBondContact O-N 3.44Å
490G47.6Very low46.4Very low71 Ų71101.4 Ų101.473%0.73274%0.738SS**  trans-165.221.3-168.100000120.7G488G488-G490 VanDerWaalsContact C-N 3.28Å; G488-G490 PolarHBondContact O-N 3.29Å
491A37.5Very low45.3Very low102 Ų102105 Ų10584%0.84376%0.757SS**  trans-146.8115.2175.400000114.6
492A36.6Very low43.7Very low96 Ų96106.2 Ų106.279%0.79378%0.775SS**  trans-98.5138.7163.100000109.9A494A492-A494 PolarHBondContact O-N 3.39Å
493P42.2Very low42.2Very low139 Ų139112.1 Ų112.190%0.90379%0.79SS**  trans-81.2115.4-174.130.7-33.8000112.4
494A34.9Very low40.7Very low103 Ų103112.9 Ų112.985%0.85179%0.793SS**  trans-114.8122.116400000109.2A492A492-A494 PolarHBondContact O-N 3.39Å
495G32.3Very low39.2Very low83 Ų83115.7 Ų115.786%0.85681%0.809SS**  trans-93.8145.1-168.200000115.3
496G31.5Very low38Very low77 Ų77113.2 Ų113.279%0.79481%0.809SS**  trans82.7107.3147.100000118.7
497S31.1Very low36.8Very low126 Ų126113.1 Ų113.188%0.88182%0.816SS**  -169.6157.5114.539.50000113
498T32.5Very low35.8Very low135 Ų135109 Ų10983%0.82882%0.819SS**  trans-82.5147.1-173.250.60000114.5
499S31.4Very low35.2Very low122 Ų122114.5 Ų114.585%0.85383%0.828SS**  trans-173.7167131.934.90000112.3
500S30.7Very low34.9Very low118 Ų118121.5 Ų121.583%0.82583%0.832SS**  trans-121.6-155.9-168.7-53.70000112.5
501P50.3Low34.2Very low133 Ų133127.2 Ų127.286%0.86484%0.837SS**  -116160.3-102.735.7-19.6000115.8
502G31.3Very low34.2Very low83 Ų83127 Ų12786%0.85684%0.836SS**  trans-135.5135.3-174.100000116.5
503K33.2Very low34Very low184 Ų184131.2 Ų131.280%0.884%0.836SS**  trans-69142.3-168.8-76.6175.4166.1-1770119.6
504Q31.7Very low33.7Very low154 Ų154132.8 Ų132.872%0.7283%0.829SS**  58.4146.8124.8-58.6179.6-76.400124.5
505S29.9Very low33.6Very low122 Ų122135.7 Ų135.785%0.85383%0.825SS**  trans71.9151.4158.773.80000117
506S31Very low33.8Very low113 Ų113135.8 Ų135.879%0.7981%0.812SS**  cis-143.5152.4-551.40000108
507G30.9Very low34Very low79 Ų79140 Ų14081%0.81481%0.808SS**  86.1101.65900000111.2
508G31.7Very low34.1Very low82 Ų82140.9 Ų140.985%0.84580%0.799SS**  trans172.3114.1176.800000115.1
509E35.5Very low34.7Very low178 Ų178143.4 Ų143.483%0.83280%0.798SS**  trans-79.1154.2171.4-65.5172.570.700112.6
510R38.3Very low35Very low251 Ų251144.7 Ų144.795%0.94780%0.796SS**  trans-158154136.6-111.7160.4-162.1-158.72.8113.2
511K34.2Very low35.6Very low191 Ų191147.8 Ų147.883%0.8379%0.794SS**  trans-89.5141.5-168.9-70.5177177174.60113.5
512A35.9Very low34.8Very low98 Ų98147.1 Ų147.181%0.8179%0.791SS**  trans11.1140.7144.700000120.6
513K33.7Very low35Very low184 Ų184148.6 Ų148.680%0.878%0.783SS**  -136157.8121.6-140.9-172174.8-121.80111E515K513-E515 IonicContact NZ-OE2 2.68Å; K513-E515 PolarHBondContact NZ-OE2 3.22Å
514K35.7Very low35.4Very low173 Ų173147.8 Ų147.875%0.75279%0.786SS**  trans-125.2133.7-174.7164.3-162.3176-173.60107.3
515E31.9Very low35.9Very low164 Ų164151.4 Ų151.477%0.76681%0.809SS**  trans-155.5162.9154.2-128.1105-146.900109K513K513-E515 IonicContact NZ-OE2 2.68Å; K513-E515 PolarHBondContact NZ-OE2 3.22Å
516S36.7Very low36.2Very low84 Ų84152.9 Ų152.959%0.58781%0.807SS**  trans-167.3156.9-16255.70000111.8
517K35.6Very low36.5Very low166 Ų166155 Ų15572%0.72281%0.808SS**  trans73.6161.3-178-45.3178.793.3-140.60112.4
518E33.3Very low36.8Very low144 Ų144159.2 Ų159.267%0.67381%0.808SS**  cis-137.917410-159.989.2-127.100111
519K45.9Very low37.1Very low188 Ų188163.8 Ų163.882%0.81781%0.805SS**  trans-81.6154.8175.4-46.7171.3-178.7-177.10110.9
520D37.1Very low37.2Very low150 Ų150162.9 Ų162.980%0.80280%0.804SS**  trans-156.9178.4135.3-133.5-36.7000113.6
521K44.8Very low37.1Very low182 Ų182157 Ų15779%0.79179%0.794SS**  trans-100.9157.2-160.2-54.2152.6-177.3169.80115.6
522C33.5Very low37.3Very low120 Ų120154.6 Ų154.681%0.81179%0.792SS**  trans-152.5114.6142.6-144.30000105.7
523V34.3Very low37.4Very low113 Ų113158.9 Ų158.969%0.68579%0.79SS**  60.3109.467.5-174.80000112.1
524I42.6Very low37.7Very low168 Ų168156.8 Ų156.886%0.86279%0.789SS**  trans-97.9145.4162-62175.3000107
525L41.4Very low37.9Very low230 Ų230155.4 Ų155.4100%1.20479%0.793SS**  trans-112.90172.5-91166.7000109.6

Retrieved 525 of 525 residues in 171.4 ms (Link to these results)