A0A093HA34_STRCA Loading...

Synaptotagmin

May have a regulatory role in the membrane interactions during trafficking of synaptic vesicles at the active zone of the synapse. It binds acidic phospholipids with a specificity that requires the presence of both an acidic head group and a diacyl backbone.

AlphaFold DB , UniProt , Accession A0A093HA34, Species STRCA (Struthio camelus australis), Gene n/a, Length 424 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low36.3Very low232 Ų232141.8 Ų141.8100%1.14379%0.787SS**  0108.10-65.6154.6179.500105.1
2V36.1Very low35.9Very low136 Ų136138 Ų13882%0.82479%0.788SS**  cis66.3119.948.5-174.80000109.7
3S34.6Very low37.9Very low84 Ų84136.6 Ų136.659%0.58779%0.787SS**  cis-166.4157.2-8.5-116.90000111.8
4E36.3Very low39.2Very low170 Ų170135.7 Ų135.779%0.79479%0.788SS**  trans60.3-179143.6-69156.7101.500121
5S40.7Very low38.9Very low87 Ų87132 Ų13261%0.60878%0.78SS**  -175.7166.9-110.552.50000114
6H40.3Very low38.5Very low154 Ų154131.5 Ų131.571%0.71378%0.779SS**  trans62133.9162.4-67.7-79000119.6
7H36.8Very low38.1Very low185 Ų185131.8 Ų131.886%0.85678%0.782SS**  -169.1176.496.7-113-80.7000113.5
8E33.3Very low37.9Very low159 Ų159132.2 Ų132.274%0.74379%0.785SS**  trans-152.9138.5-149.3-176.7-176.9140.900114.7
9A33.5Very low37.5Very low86 Ų86130.3 Ų130.371%0.71179%0.786SS**  trans59.9-176.3152.500000123.1
10L35.2Very low37.1Very low174 Ų174129.2 Ų129.291%0.91179%0.791SS**  trans84.5140.4177.5-60.4161.6000116.6
11A33.5Very low36.9Very low93 Ų93127.5 Ų127.577%0.76979%0.791SS**  cis-157.5-171.3-9.700000111.1
12A31.9Very low37.9Very low96 Ų96122.1 Ų122.179%0.79377%0.773SS**  trans-133-143.8-170.600000116.5
13P61.4Low38.5Very low120 Ų120121.4 Ų121.478%0.77977%0.771SS**  -86.3-176.3-129.844.9-36000114.8
14P56.3Low38.4Very low124 Ų124122.8 Ų122.881%0.80578%0.781SS**  cis-141.2-143.725.541.1-15000114
15A34.8Very low38.1Very low80 Ų80122.5 Ų122.566%0.66179%0.785SS**  cis-161.7146.65.900000115.9
16T32.2Very low37.7Very low124 Ų124124.1 Ų124.176%0.76179%0.791SS**  38.8130.3128.2-39.50000124.2
17T32.2Very low37.1Very low137 Ų137123.6 Ų123.684%0.8480%0.798SS**  trans163.2167.9137.231.90000110.5
18V34.3Very low36.9Very low138 Ų138123.3 Ų123.384%0.83680%0.798SS**  cis-156.4170.3-41.1128.70000108.1
19A30.8Very low37.6Very low97 Ų97121.3 Ų121.380%0.80280%0.799SS**  trans-127.1169.7-172.300000115.7
20A29.4Very low37.3Very low107 Ų107122.2 Ų122.288%0.88481%0.806SS**  trans-159.4158.6167.200000114.5
21A33.5Very low37.3Very low95 Ų95119.4 Ų119.479%0.78580%0.801SS**  trans-162.5-170.5179.800000108.5
22P58.3Low37.8Very low119 Ų119121 Ų12177%0.77380%0.804SS**  cis-109.5-97.5-8.120.84.7000113.5
23P48.8Very low37.7Very low121 Ų121120.4 Ų120.479%0.78681%0.806SS**  cis-108.6-136.73.844-33.1000114.3
24S32.8Very low36.2Very low113 Ų113118.7 Ų118.779%0.7981%0.81SS**  trans-154.4167.1-16558.60000115
25N29.5Very low35Very low163 Ų163116.6 Ų116.687%0.87281%0.812SS**  trans-158169.9152-143.4-11.1000113.8
26V33.1Very low35.2Very low121 Ų121116.3 Ų116.373%0.73382%0.816SS**  trans-135.8146.1-160.9177.50000114.2
27T28.3Very low35.9Very low143 Ų143113.1 Ų113.188%0.87781%0.808SS**  trans-154152.1154.3-36.30000111.8
28E32.2Very low36.6Very low180 Ų180115.6 Ų115.684%0.84181%0.807SS**  trans-109.6177.9-177.7-107.7-154.2145.400113.3
29P47.4Very low37.4Very low117 Ų117116.3 Ų116.376%0.7680%0.801SS**  trans-99.4176.9-151.939.9-39.7000116.8
30A26.7Very low38.9Very low104 Ų104115.9 Ų115.986%0.8679%0.785SS**  trans-128.1152.6166.300000112.1
31S36.1Very low40.5Very low116 Ų116114 Ų11481%0.81177%0.769SS**  trans-138.8153.9177.3-124.50000107.5
32P45Very low41.9Very low127 Ų127116.1 Ų116.183%0.82576%0.761SS**  -157.9163.380.440.7-21.2000118.5
33G28.2Very low42.5Very low82 Ų82113.1 Ų113.185%0.84574%0.743SS**  trans81.4152.2151.300000117.5
34G29.9Very low43.5Very low84 Ų84113.7 Ų113.787%0.86673%0.733SS**  cis165.8117.3-7.600000112
35G30.8Very low45.2Very low81 Ų81114 Ų11484%0.83573%0.725SS**  trans-175.660.3-173.800000115
36G41Very low46.9Very low74 Ų74112.3 Ų112.376%0.76371%0.71SS**  trans-77.8-179.6-175.300000115.8
37G45.1Very low48.7Very low56 Ų56112.9 Ų112.958%0.57771%0.705SS**SBendtrans129.1-43.8163.600000116
38K46.7Very low50.8Low189 Ų189113.4 Ų113.482%0.82270%0.695SS**SBendtrans-96.1-36.3178.1-79.7178.5172.71710113.4A41 F42K38-A41 PolarHBondContact O-N 3.01Å; K38-F42 PolarHBondContact O-N 2.83Å; K38-F42 VanDerWaalsContact O-N 3.14Å
39E52.8Low52.4Low154 Ų154111.5 Ų111.572%0.7268%0.684SS**Hα-helixtrans-72.4-35.3-173-57.3-165.5154.600112.3A41 F42 S43E39-A41 PolarHBondContact O-N 3.21Å; E39-F42 PolarHBondContact O-N 3.1Å; E39-S43 WeakPolarHBondContact O-CB 3.19Å; E39-S43 PolarHBondContact O-N 3.05Å; E39-S43 PolarHBondContact O-OG 3.13Å
40D61.7Low53.2Low88 Ų88110.4 Ų110.447%0.47167%0.67SS.*Hα-helixtrans-61.5-42174.6-57.9-79.5000112.7K44D40-K44 WeakPolarHBondContact O-CB 3.35Å; D40-K44 VanDerWaalsContact O-CG 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.26Å; D40-K44 PolarHBondContact O-N 3.26Å
41A61.8Low55.2Low66 Ų66110.6 Ų110.655%0.54566%0.657SS.*Hα-helixtrans-69.8-42.6179.800000111.2K38 E39 L45K38-A41 PolarHBondContact O-N 3.01Å; E39-A41 PolarHBondContact O-N 3.21Å; A41-L45 WeakPolarHBondContact O-CB 3.38Å; A41-L45 PolarHBondContact O-N 3.35Å; A41-L45 VanDerWaalsContact O-N 3.12Å
42F64.8Low56.5Low141 Ų141110.1 Ų110.162%0.61864%0.642SS**Hα-helixtrans-66.1-40.8175.2-172.3-104.7000111.9K38 E39 L45 K46K38-F42 PolarHBondContact O-N 2.83Å; K38-F42 VanDerWaalsContact O-N 3.14Å; E39-F42 PolarHBondContact O-N 3.1Å; F42-L45 PolarHBondContact O-N 2.96Å; F42-K46 VanDerWaalsContact O-CB 3.28Å; F42-K46 WeakPolarHBondContact O-CB 3.47Å; F42-K46 PolarHBondContact O-N 3.44Å
43S69.6Low57.1Low56 Ų56105.9 Ų105.939%0.39261%0.612SS.*Hα-helixtrans-66.7-46.9179.4-58.70000111.7E39 L45 K46 E47E39-S43 WeakPolarHBondContact O-CB 3.19Å; E39-S43 PolarHBondContact O-N 3.05Å; E39-S43 PolarHBondContact O-OG 3.13Å; S43-L45 VanDerWaalsContact C-N 3.26Å; S43-L45 PolarHBondContact O-N 3.07Å; S43-K46 WeakPolarHBondContact O-CB 3.34Å; S43-K46 PolarHBondContact O-N 3.15Å; S43-K46 VanDerWaalsContact O-N 3.12Å; S43-E47 WeakPolarHBondContact O-CG 3.5Å; S43-E47 PolarHBondContact O-N 3.38Å
44K69.4Low58.5Low133 Ų133107.8 Ų107.858%0.57860%0.603SS**Hα-helixtrans-63.3-29.9175.3-73.8168.5-179.91660113D40 K48D40-K44 WeakPolarHBondContact O-CB 3.35Å; D40-K44 VanDerWaalsContact O-CG 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.26Å; D40-K44 PolarHBondContact O-N 3.26Å; K44-K48 WeakPolarHBondContact O-CG 3.11Å; K44-K48 PolarHBondContact O-N 3.35Å
45L68.5Low60Low118 Ų118110.2 Ų110.262%0.61859%0.589SS**Hα-helixtrans-73.3-43.3172.2-173.962.4000111.5A41 F42 S43 K48 F49A41-L45 WeakPolarHBondContact O-CB 3.38Å; A41-L45 PolarHBondContact O-N 3.35Å; A41-L45 VanDerWaalsContact O-N 3.12Å; F42-L45 PolarHBondContact O-N 2.96Å; S43-L45 VanDerWaalsContact C-N 3.26Å; S43-L45 PolarHBondContact O-N 3.07Å; L45-K48 PolarHBondContact O-N 3.06Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 PolarHBondContact O-N 2.84Å
46K66.8Low61.4Low128 Ų128110 Ų11056%0.55757%0.569SS**Hα-helixtrans-61.8-44.4176.8-176.1-175.7178-171.80111.9F42 S43 F49 M50F42-K46 VanDerWaalsContact O-CB 3.28Å; F42-K46 WeakPolarHBondContact O-CB 3.47Å; F42-K46 PolarHBondContact O-N 3.44Å; S43-K46 WeakPolarHBondContact O-CB 3.34Å; S43-K46 PolarHBondContact O-N 3.15Å; S43-K46 VanDerWaalsContact O-N 3.12Å; K46-F49 PolarHBondContact O-N 3.06Å; K46-M50 WeakPolarHBondContact O-CB 3.23Å; K46-M50 VanDerWaalsContact O-CG 3.25Å; K46-M50 WeakPolarHBondContact O-CG 3.44Å; K46-M50 PolarHBondContact O-N 2.85Å
47E71.1Confident62.1Low134 Ų134112.7 Ų112.763%0.62657%0.572SS**Hα-helixtrans-61.4-48.1175.6-73.4179.8140.900111.8S43 F49 M50 N51S43-E47 WeakPolarHBondContact O-CG 3.5Å; S43-E47 PolarHBondContact O-N 3.38Å; E47-F49 VanDerWaalsContact C-N 3.3Å; E47-F49 PolarHBondContact O-N 2.79Å; E47-M50 PolarHBondContact O-N 3.07Å; E47-N51 WeakPolarHBondContact O-CB 3.38Å; E47-N51 PolarHBondContact O-N 3.43Å
48K70.7Confident62.9Low154 Ų154113.9 Ų113.967%0.6757%0.565SS**Hα-helixtrans-59.3-41.6175-75.7-175.8176.7-172.60112K44 L45 N51 E52K44-K48 WeakPolarHBondContact O-CG 3.11Å; K44-K48 PolarHBondContact O-N 3.35Å; L45-K48 PolarHBondContact O-N 3.06Å; K48-N51 PolarHBondContact O-N 2.94Å; K48-E52 PolarHBondContact O-N 3.39Å; K48-E52 VanDerWaalsContact O-N 3.1Å
49F66.8Low64Low139 Ų139107.6 Ų107.661%0.6154%0.543SS*.Hα-helixtrans-66.2-44.4178.7-164-108000112.1L45 K46 E47 N51 E52 L53L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 PolarHBondContact O-N 2.84Å; K46-F49 PolarHBondContact O-N 3.06Å; E47-F49 VanDerWaalsContact C-N 3.3Å; E47-F49 PolarHBondContact O-N 2.79Å; F49-N51 VanDerWaalsContact C-N 3.34Å; F49-N51 PolarHBondContact O-N 2.95Å; F49-E52 PolarHBondContact O-N 2.95Å; F49-L53 HydrophobicContact CD1-CD1 3.67Å; F49-L53 HydrophobicContact CD1-CG 4.31Å; F49-L53 HydrophobicContact CE1-CD1 3.7Å; F49-L53 HydrophobicContact CE1-CG 4.27Å; F49-L53 WeakPolarHBondContact O-CB 3.35Å; F49-L53 VanDerWaalsContact O-CG 3.3Å; F49-L53 WeakPolarHBondContact O-CG 3.4Å; F49-L53 PolarHBondContact O-N 2.87Å
50M63.5Low64.9Low95 Ų95104.8 Ų104.847%0.46854%0.538SS..Hα-helixtrans-63.6-37.1175.1-69.2-66.6-66.100112.5K46 E47 L53 N54K46-M50 WeakPolarHBondContact O-CB 3.23Å; K46-M50 VanDerWaalsContact O-CG 3.25Å; K46-M50 WeakPolarHBondContact O-CG 3.44Å; K46-M50 PolarHBondContact O-N 2.85Å; E47-M50 PolarHBondContact O-N 3.07Å; M50-L53 PolarHBondContact O-N 3.09Å; M50-L53 HydrophobicContact SD-CD1 4.17Å; M50-N54 VanDerWaalsContact O-CG 3.31Å; M50-N54 PolarHBondContact O-N 3.13Å
51N68.8Low65.5Low107 Ų107109.6 Ų109.657%0.57255%0.55SS*.Hα-helixtrans-73.7-26.9180-157.617.4000113.1E47 K48 F49E47-N51 WeakPolarHBondContact O-CB 3.38Å; E47-N51 PolarHBondContact O-N 3.43Å; K48-N51 PolarHBondContact O-N 2.94Å; F49-N51 VanDerWaalsContact C-N 3.34Å; F49-N51 PolarHBondContact O-N 2.95Å
52E63Low66Low106 Ų106107.2 Ų107.250%0.49553%0.53SS..Hα-helixtrans-77.4-39.2167.2-68-54.6138.600112.2K48 F49 N54 K55K48-E52 PolarHBondContact O-N 3.39Å; K48-E52 VanDerWaalsContact O-N 3.1Å; F49-E52 PolarHBondContact O-N 2.95Å; E52-N54 VanDerWaalsContact C-N 3.27Å; E52-N54 PolarHBondContact O-N 3.49Å; E52-K55 WeakPolarHBondContact O-CB 3.44Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-K55 VanDerWaalsContact O-N 3.07Å; E52-K55 IonicContact OE1-NZ 3.3Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CD 3.45Å; E52-K55 IonicContact OE2-NZ 2.64Å; E52-K55 PolarHBondContact OE2-NZ 3.13Å
53L57.8Low66.4Low38 Ų38101.7 Ų101.720%0.19951%0.507CS..Hα-helixtrans-57.3-40.1175.6-77170.3000112.1F49 M50 K55 I56 L63F49-L53 HydrophobicContact CD1-CD1 3.67Å; F49-L53 HydrophobicContact CD1-CG 4.31Å; F49-L53 HydrophobicContact CE1-CD1 3.7Å; F49-L53 HydrophobicContact CE1-CG 4.27Å; F49-L53 WeakPolarHBondContact O-CB 3.35Å; F49-L53 VanDerWaalsContact O-CG 3.3Å; F49-L53 WeakPolarHBondContact O-CG 3.4Å; F49-L53 PolarHBondContact O-N 2.87Å; M50-L53 PolarHBondContact O-N 3.09Å; M50-L53 HydrophobicContact SD-CD1 4.17Å; L53-K55 PolarHBondContact O-N 2.98Å; L53-K55 VanDerWaalsContact O-N 3.16Å; L53-I56 HydrophobicContact CD2-CD1 4.45Å; L53-I56 WeakPolarHBondContact O-CB 3.38Å; L53-I56 PolarHBondContact O-N 3.05Å; L53-I56 VanDerWaalsContact O-N 3.07Å; L53-L63 HydrophobicContact CB-CD1 4.29Å; L53-L63 HydrophobicContact CD2-CB 4.24Å; L53-L63 HydrophobicContact CD2-CD1 4.1Å; L53-L63 HydrophobicContact CD2-CD2 4.11Å; L53-L63 HydrophobicContact CD2-CG 4.38Å
54N58.3Low66.8Low122 Ų122104 Ų10465%0.65251%0.514SS*.THydrogen-bonded Turntrans-67.1-9.6178.4-73.8-12.8000114.7M50 E52M50-N54 VanDerWaalsContact O-CG 3.31Å; M50-N54 PolarHBondContact O-N 3.13Å; E52-N54 VanDerWaalsContact C-N 3.27Å; E52-N54 PolarHBondContact O-N 3.49Å
55K61.2Low67Low136 Ų13699.8 Ų99.859%0.59150%0.504SS*.THydrogen-bonded Turntrans-87.6-11.8172.5-60.6176.1-168.5167.10113E52 L53E52-K55 WeakPolarHBondContact O-CB 3.44Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-K55 VanDerWaalsContact O-N 3.07Å; E52-K55 IonicContact OE1-NZ 3.3Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CD 3.45Å; E52-K55 IonicContact OE2-NZ 2.64Å; E52-K55 PolarHBondContact OE2-NZ 3.13Å; L53-K55 PolarHBondContact O-N 2.98Å; L53-K55 VanDerWaalsContact O-N 3.16Å
56I61Low67.6Low77 Ų7799 Ų9940%0.39550%0.499SS..SBendtrans-89.1125.7-179.1-54.6176.1000107.7L53 L58 L63L53-I56 HydrophobicContact CD2-CD1 4.45Å; L53-I56 WeakPolarHBondContact O-CB 3.38Å; L53-I56 PolarHBondContact O-N 3.05Å; L53-I56 VanDerWaalsContact O-N 3.07Å; I56-L58 HydrophobicContact CG2-CB 4.2Å; I56-L58 HydrophobicContact CG2-CD1 3.86Å; I56-L58 HydrophobicContact CG2-CG 3.94Å; I56-L58 PolarHBondContact O-N 3.21Å; I56-L63 HydrophobicContact CB-CD2 4.49Å; I56-L63 HydrophobicContact CD1-CD2 4.37Å; I56-L63 HydrophobicContact CG2-CD2 4.25Å
57P55.8Low68Low129 Ų12995.2 Ų95.284%0.83849%0.492SS*.SBendtrans-78.756.3-176.733.7-37.3000112
58L60.8Low68.6Low82 Ų8293.3 Ų93.343%0.42949%0.485SS..SBendtrans-129.8141.3178.3-69.1176.6000109.9I56 L63 I66I56-L58 HydrophobicContact CG2-CB 4.2Å; I56-L58 HydrophobicContact CG2-CD1 3.86Å; I56-L58 HydrophobicContact CG2-CG 3.94Å; I56-L58 PolarHBondContact O-N 3.21Å; L58-L63 HydrophobicContact CB-CD2 4.06Å; L58-L63 HydrophobicContact CB-CG 4.21Å; L58-L63 HydrophobicContact CD1-CD2 4.14Å; L58-I66 HydrophobicContact CD1-CD1 4.27Å
59P70.1Confident69.2Low56 Ų5689.9 Ų89.936%0.36448%0.477SS..  trans-66.7148.1-179.228.9-35.5000111.1W61 A62 L63P59-W61 HydrophobicContact CG-CD2 4.44Å; P59-W61 HydrophobicContact CG-CZ2 4.02Å; P59-W61 PolarHBondContact O-N 3.15Å; P59-A62 HydrophobicContact CG-CB 4.07Å; P59-A62 WeakPolarHBondContact O-CB 3.44Å; P59-A62 PolarHBondContact O-N 3.07Å; P59-L63 PolarHBondContact O-N 2.72Å
60P70.9Confident69.9Low95 Ų9585.2 Ų85.262%0.61746%0.464SS*.Hα-helixtrans-54.6-33.7-172.1-30.236.1000115.3A62 L63 I64P60-A62 VanDerWaalsContact C-N 3.31Å; P60-A62 PolarHBondContact O-N 3.36Å; P60-L63 PolarHBondContact O-N 3.13Å; P60-I64 WeakPolarHBondContact O-CG1 3.41Å; P60-I64 PolarHBondContact O-N 3.31Å
61W75.6Confident71Confident189 Ų18984.6 Ų84.672%0.71647%0.466SS*.Hα-helixtrans-63.8-33.8176.967.9-101.4000113P59 I64 A65P59-W61 HydrophobicContact CG-CD2 4.44Å; P59-W61 HydrophobicContact CG-CZ2 4.02Å; P59-W61 PolarHBondContact O-N 3.15Å; W61-I64 PolarHBondContact O-N 2.89Å; W61-A65 WeakPolarHBondContact O-CB 3.34Å; W61-A65 PolarHBondContact O-N 3.47Å
62A70.8Confident71.8Confident16 Ų1684.3 Ų84.313%0.13246%0.463CS..Hα-helixtrans-72.4-36.7178.600000111.1P59 P60 A65 I66P59-A62 HydrophobicContact CG-CB 4.07Å; P59-A62 WeakPolarHBondContact O-CB 3.44Å; P59-A62 PolarHBondContact O-N 3.07Å; P60-A62 VanDerWaalsContact C-N 3.31Å; P60-A62 PolarHBondContact O-N 3.36Å; A62-A65 PolarHBondContact O-N 3.04Å; A62-I66 WeakPolarHBondContact O-CD1 3.47Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 2.83Å
63L75.1Confident72.7Confident26 Ų2684.5 Ų84.514%0.13647%0.467CS..Hα-helixtrans-66.9-39.5175.1-62.1171.6000111.4L53 I56 L58 P59 P60 I66 A67L53-L63 HydrophobicContact CB-CD1 4.29Å; L53-L63 HydrophobicContact CD2-CB 4.24Å; L53-L63 HydrophobicContact CD2-CD1 4.1Å; L53-L63 HydrophobicContact CD2-CD2 4.11Å; L53-L63 HydrophobicContact CD2-CG 4.38Å; I56-L63 HydrophobicContact CB-CD2 4.49Å; I56-L63 HydrophobicContact CD1-CD2 4.37Å; I56-L63 HydrophobicContact CG2-CD2 4.25Å; L58-L63 HydrophobicContact CB-CD2 4.06Å; L58-L63 HydrophobicContact CB-CG 4.21Å; L58-L63 HydrophobicContact CD1-CD2 4.14Å; P59-L63 PolarHBondContact O-N 2.72Å; P60-L63 PolarHBondContact O-N 3.13Å; L63-I66 PolarHBondContact O-N 3.18Å; L63-A67 PolarHBondContact O-N 3.3Å
64I76.1Confident74Confident105 Ų10587.8 Ų87.854%0.53848%0.484SS..Hα-helixtrans-63.6-43.8171.6-67.2165.3000111P60 W61 I66 A67 I68P60-I64 WeakPolarHBondContact O-CG1 3.41Å; P60-I64 PolarHBondContact O-N 3.31Å; W61-I64 PolarHBondContact O-N 2.89Å; I64-I66 PolarHBondContact O-N 3.11Å; I64-A67 PolarHBondContact O-N 2.95Å; I64-I68 HydrophobicContact CG2-CD1 3.93Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.84Å
65A74.6Confident75.3Confident43 Ų4387 Ų8736%0.35548%0.479SS..Hα-helixtrans-61.7-43176.700000112.2W61 A62 A67 I68 V69W61-A65 WeakPolarHBondContact O-CB 3.34Å; W61-A65 PolarHBondContact O-N 3.47Å; A62-A65 PolarHBondContact O-N 3.04Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-A67 PolarHBondContact O-N 3.45Å; A65-I68 PolarHBondContact O-N 3.43Å; A65-V69 WeakPolarHBondContact O-CG2 3.48Å; A65-V69 PolarHBondContact O-N 3.17Å
66I80.1Confident76.4Confident101 Ų10184.3 Ų84.352%0.51847%0.474SS..Hα-helixtrans-61.6-41.7174.6-69.8162.6000110.9L58 A62 L63 I64 V69 A70L58-I66 HydrophobicContact CD1-CD1 4.27Å; A62-I66 WeakPolarHBondContact O-CD1 3.47Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.45Å; A62-I66 PolarHBondContact O-N 2.83Å; L63-I66 PolarHBondContact O-N 3.18Å; I64-I66 PolarHBondContact O-N 3.11Å; I66-V69 PolarHBondContact O-N 3.27Å; I66-A70 WeakPolarHBondContact O-CB 3.49Å; I66-A70 PolarHBondContact O-N 2.92Å
67A76.9Confident77.3Confident49 Ų4984 Ų8441%0.40548%0.478SS..Hα-helixtrans-63.5-41.8176.100000112.5L63 I64 A65 A70 V71L63-A67 PolarHBondContact O-N 3.3Å; I64-A67 PolarHBondContact O-N 2.95Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-A67 PolarHBondContact O-N 3.45Å; A67-A70 PolarHBondContact O-N 3.27Å; A67-V71 WeakPolarHBondContact O-CG2 3.08Å; A67-V71 PolarHBondContact O-N 3.25Å
68I82.5Confident78.3Confident94 Ų9480.9 Ų80.948%0.48246%0.459SS..Hα-helixtrans-62.7-45.8175.1-68.3165.4000110.7I64 A65 A70 V71 L72I64-I68 HydrophobicContact CG2-CD1 3.93Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.84Å; A65-I68 PolarHBondContact O-N 3.43Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 2.88Å; I68-V71 PolarHBondContact O-N 3.07Å; I68-L72 HydrophobicContact CG2-CD1 4.02Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.07Å
69V84Confident79.1Confident82 Ų8283.5 Ų83.550%0.49747%0.467SS..Hα-helixtrans-61.7-41176.11710000111.3A65 I66 L72 L73A65-V69 WeakPolarHBondContact O-CG2 3.48Å; A65-V69 PolarHBondContact O-N 3.17Å; I66-V69 PolarHBondContact O-N 3.27Å; V69-L72 PolarHBondContact O-N 2.76Å; V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.38Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 3.21Å
70A82Confident79.4Confident42 Ų4284.7 Ų84.735%0.34748%0.475SS..Hα-helixtrans-63.4-42.5175.700000112.3I66 A67 I68 L73 I74I66-A70 WeakPolarHBondContact O-CB 3.49Å; I66-A70 PolarHBondContact O-N 2.92Å; A67-A70 PolarHBondContact O-N 3.27Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 2.88Å; A70-L73 PolarHBondContact O-N 2.98Å; A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; A70-I74 PolarHBondContact O-N 3.25Å
71V85.9Confident79.5Confident82 Ų8284.9 Ų84.950%0.49747%0.471SS..Hα-helixtrans-63.6-42.3174.9169.90000111.3A67 I68 L73 I74 L75A67-V71 WeakPolarHBondContact O-CG2 3.08Å; A67-V71 PolarHBondContact O-N 3.25Å; I68-V71 PolarHBondContact O-N 3.07Å; V71-L73 PolarHBondContact O-N 3.29Å; V71-I74 PolarHBondContact O-N 2.94Å; V71-L75 HydrophobicContact CG1-CD1 3.87Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.03Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 2.88Å; V71-L75 PolarHBondContact O-N 3.03Å
72L85.1Confident79.1Confident100 Ų10079.5 Ų79.552%0.52446%0.461SS..Hα-helixtrans-64.7-37.9175.5-70170.9000112.4I68 V69 L75 T76I68-L72 HydrophobicContact CG2-CD1 4.02Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 3.07Å; V69-L72 PolarHBondContact O-N 2.76Å; L72-L75 PolarHBondContact O-N 3.17Å; L72-T76 WeakPolarHBondContact O-CB 3.47Å; L72-T76 WeakPolarHBondContact O-CG2 3.33Å; L72-T76 PolarHBondContact O-N 2.89Å; L72-T76 PolarHBondContact O-OG1 3.44Å
73L82.9Confident78.8Confident111 Ų11184.3 Ų84.358%0.58148%0.479SS*.Hα-helixtrans-66.9-37.6173.4-73.7169.5000112.3V69 A70 V71 T76 C77V69-L73 HydrophobicContact CG1-CD1 3.96Å; V69-L73 HydrophobicContact CG1-CG 4.44Å; V69-L73 WeakPolarHBondContact O-CB 3.38Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 3.21Å; A70-L73 PolarHBondContact O-N 2.98Å; V71-L73 PolarHBondContact O-N 3.29Å; L73-T76 WeakPolarHBondContact CA-OG1 3.33Å; L73-T76 PolarHBondContact O-OG1 2.88Å; L73-C77 WeakPolarHBondContact O-CB 3.14Å; L73-C77 PolarHBondContact O-N 2.84Å
74I85.3Confident78.1Confident107 Ų10790.2 Ų90.255%0.54950%0.504SS..Hα-helixtrans-67.3-47174-69.5163.5000110.6A70 V71 T76 C77 C78A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; A70-I74 PolarHBondContact O-N 3.25Å; V71-I74 PolarHBondContact O-N 2.94Å; I74-T76 PolarHBondContact O-N 1.83Å; I74-C77 PolarHBondContact O-N 2.49Å; I74-C78 WeakPolarHBondContact O-CB 3.43Å; I74-C78 PolarHBondContact O-N 2.9Å; I74-C78 PolarHBondContact O-SG 2.88Å; I74-C78 VanDerWaalsContact O-SG 3.33Å
75L85.2Confident76.9Confident106 Ų10689.7 Ų89.756%0.55551%0.508SS*.Hα-helixtrans-62.3-43.6178.8-72.4170.8000112.2V71 L72 C78 F79V71-L75 HydrophobicContact CG1-CD1 3.87Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.03Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 2.88Å; V71-L75 PolarHBondContact O-N 3.03Å; L72-L75 PolarHBondContact O-N 3.17Å; L75-C78 PolarHBondContact O-N 3.34Å; L75-F79 WeakPolarHBondContact O-CB 3.4Å; L75-F79 PolarHBondContact O-N 3.41Å
76T83.1Confident75.7Confident79 Ų7994.1 Ų94.149%0.48553%0.525SS..Hα-helixtrans-68.4-35.3175.251.20000112.4L72 L73 I74 F79 C80L72-T76 WeakPolarHBondContact O-CB 3.47Å; L72-T76 WeakPolarHBondContact O-CG2 3.33Å; L72-T76 PolarHBondContact O-N 2.89Å; L72-T76 PolarHBondContact O-OG1 3.44Å; L73-T76 WeakPolarHBondContact CA-OG1 3.33Å; L73-T76 PolarHBondContact O-OG1 2.88Å; I74-T76 PolarHBondContact O-N 1.83Å; T76-F79 PolarHBondContact O-N 2.82Å; T76-C80 WeakPolarHBondContact O-CB 3.47Å; T76-C80 PolarHBondContact O-N 2.96Å; T76-C80 PolarHBondContact O-SG 3.25Å
77C80.1Confident74.1Confident70 Ų7096.6 Ų96.647%0.47353%0.532SS..Hα-helixtrans-63.5-47171.7-171.10000111.7L73 I74 F79 C80 L81L73-C77 WeakPolarHBondContact O-CB 3.14Å; L73-C77 PolarHBondContact O-N 2.84Å; I74-C77 PolarHBondContact O-N 2.49Å; C77-F79 PolarHBondContact O-N 3.15Å; C77-C80 WeakPolarHBondContact O-CB 3.39Å; C77-C80 PolarHBondContact O-N 3.47Å; C77-L81 WeakPolarHBondContact O-CG 3.13Å; C77-L81 PolarHBondContact O-N 3.4Å
78C78.1Confident72.5Confident64 Ų64102.2 Ų102.243%0.43255%0.548SS..Hα-helixtrans-59-45174.3-72.70000111.9I74 L75 C80 L81 C82I74-C78 WeakPolarHBondContact O-CB 3.43Å; I74-C78 PolarHBondContact O-N 2.9Å; I74-C78 PolarHBondContact O-SG 2.88Å; I74-C78 VanDerWaalsContact O-SG 3.33Å; L75-C78 PolarHBondContact O-N 3.34Å; C78-C80 PolarHBondContact O-N 3.24Å; C78-L81 PolarHBondContact O-N 2.81Å; C78-C82 WeakPolarHBondContact O-CB 3.29Å; C78-C82 PolarHBondContact O-N 3.12Å; C78-C82 PolarHBondContact O-SG 3.45Å; C78-C82 VanDerWaalsContact O-SG 3.33Å
79F76.9Confident70.2Confident137 Ų137107.1 Ų107.160%0.60157%0.565SS**Hα-helixtrans-60.7-44.9175.4-175.4-103000112L75 T76 C77 L81 C82 K83L75-F79 WeakPolarHBondContact O-CB 3.4Å; L75-F79 PolarHBondContact O-N 3.41Å; T76-F79 PolarHBondContact O-N 2.82Å; C77-F79 PolarHBondContact O-N 3.15Å; F79-L81 PolarHBondContact O-N 3.05Å; F79-C82 PolarHBondContact O-N 3.13Å; F79-K83 HydrophobicContact CE1-CD 4.37Å; F79-K83 WeakPolarHBondContact O-CB 3.49Å; F79-K83 PolarHBondContact O-N 2.64Å
80C75.3Confident67.9Low80 Ų80112.3 Ų112.354%0.54158%0.581SS.*Hα-helixtrans-59.9-42.4173.8-78.40000112.5T76 C77 C78 K84T76-C80 WeakPolarHBondContact O-CB 3.47Å; T76-C80 PolarHBondContact O-N 2.96Å; T76-C80 PolarHBondContact O-SG 3.25Å; C77-C80 WeakPolarHBondContact O-CB 3.39Å; C77-C80 PolarHBondContact O-N 3.47Å; C78-C80 PolarHBondContact O-N 3.24Å; C80-K84 WeakPolarHBondContact O-CB 3.5Å; C80-K84 PolarHBondContact O-N 2.98Å
81L73.5Confident65.5Low99 Ų99117.5 Ų117.552%0.51860%0.603SS.*Hα-helixtrans-65.6-46.1176.7-71.6169.3000111.5C77 C78 F79 K83 K84 C85C77-L81 WeakPolarHBondContact O-CG 3.13Å; C77-L81 PolarHBondContact O-N 3.4Å; C78-L81 PolarHBondContact O-N 2.81Å; F79-L81 PolarHBondContact O-N 3.05Å; L81-K83 PolarHBondContact O-N 3.35Å; L81-K84 PolarHBondContact O-N 3.38Å; L81-C85 WeakPolarHBondContact O-CB 3.34Å; L81-C85 PolarHBondContact O-N 2.95Å; L81-C85 PolarHBondContact O-SG 3.11Å; L81-C85 VanDerWaalsContact O-SG 3.4Å
82C67.8Low62.9Low76 Ų76123 Ų12351%0.51462%0.62SS.*Hα-helixtrans-57.9-47.8174.8-71.40000111.8C78 F79 K84 C85 L86C78-C82 WeakPolarHBondContact O-CB 3.29Å; C78-C82 PolarHBondContact O-N 3.12Å; C78-C82 PolarHBondContact O-SG 3.45Å; C78-C82 VanDerWaalsContact O-SG 3.33Å; F79-C82 PolarHBondContact O-N 3.13Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K84 PolarHBondContact O-N 2.87Å; C82-C85 PolarHBondContact O-N 2.6Å; C82-L86 WeakPolarHBondContact O-CG 3.46Å; C82-L86 PolarHBondContact O-N 2.83Å
83K64.9Low60.4Low118 Ų118127.7 Ų127.751%0.51364%0.637SS.*Hα-helixtrans-61.6-40.7176.9-157.4166.3-172.9171.80111.4F79 L81 C85 L86 F87F79-K83 HydrophobicContact CE1-CD 4.37Å; F79-K83 WeakPolarHBondContact O-CB 3.49Å; F79-K83 PolarHBondContact O-N 2.64Å; L81-K83 PolarHBondContact O-N 3.35Å; K83-C85 PolarHBondContact O-N 3.23Å; K83-L86 PolarHBondContact O-N 3.25Å; K83-F87 HydrophobicContact CG-CD2 4.04Å; K83-F87 HydrophobicContact CG-CE2 4.09Å; K83-F87 WeakPolarHBondContact O-CD2 3.35Å; K83-F87 PolarHBondContact O-N 3.35Å; K83-F87 VanDerWaalsContact O-N 3.11Å
84K59Low57.7Low150 Ų150132.5 Ų132.565%0.65265%0.653SS**Hα-helixtrans-71.1-25178.4-157.8169-165.8170.40113.7C80 L81 C82 K88C80-K84 WeakPolarHBondContact O-CB 3.5Å; C80-K84 PolarHBondContact O-N 2.98Å; L81-K84 PolarHBondContact O-N 3.38Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K84 PolarHBondContact O-N 2.87Å; K84-K88 WeakPolarHBondContact O-CG 3.26Å
85C52.5Low54.9Low94 Ų94131.4 Ų131.464%0.63567%0.668SS**Hα-helixtrans-80.6-43.9172.5-74.50000112.4L81 C82 K83 K88L81-C85 WeakPolarHBondContact O-CB 3.34Å; L81-C85 PolarHBondContact O-N 2.95Å; L81-C85 PolarHBondContact O-SG 3.11Å; L81-C85 VanDerWaalsContact O-SG 3.4Å; C82-C85 PolarHBondContact O-N 2.6Å; K83-C85 PolarHBondContact O-N 3.23Å; C85-K88 PolarHBondContact O-N 3.42Å
86L49.2Very low52.1Low135 Ų135134.9 Ų134.971%0.70768%0.679SS**Hα-helixtrans-64.4-48.7179.7-71.7167.3000112.1C82 K83 K88 K89C82-L86 WeakPolarHBondContact O-CG 3.46Å; C82-L86 PolarHBondContact O-N 2.83Å; K83-L86 PolarHBondContact O-N 3.25Å; L86-K88 PolarHBondContact O-N 3.2Å; L86-K89 PolarHBondContact O-N 2.79Å
87F46.1Very low49.5Very low153 Ų153136.8 Ų136.867%0.67168%0.682SS**G310 helixtrans-68.4-19.6-179.5-84-95.5000114K83 K89K83-F87 HydrophobicContact CG-CD2 4.04Å; K83-F87 HydrophobicContact CG-CE2 4.09Å; K83-F87 WeakPolarHBondContact O-CD2 3.35Å; K83-F87 PolarHBondContact O-N 3.35Å; K83-F87 VanDerWaalsContact O-N 3.11Å; F87-K89 PolarHBondContact O-N 3.25Å
88K42.5Very low47Very low168 Ų168142.1 Ų142.173%0.7370%0.697SS**G310 helixtrans-68.2-15.3177.5-101.2-176.4175-176.70114.4K84 C85 L86K84-K88 WeakPolarHBondContact O-CG 3.26Å; C85-K88 PolarHBondContact O-N 3.42Å; L86-K88 PolarHBondContact O-N 3.2Å
89K34.8Very low44.6Very low196 Ų196143 Ų14385%0.85272%0.716SS**G310 helixtrans-87.8-15.8-173.6-142.1175.2-175.6-177.90114.6L86 F87L86-K89 PolarHBondContact O-N 2.79Å; F87-K89 PolarHBondContact O-N 3.25Å
90K34.9Very low42.2Very low192 Ų192140.3 Ų140.384%0.83573%0.728SS**THydrogen-bonded Turntrans-93.8-24.4-171.8-147.4171.2-175.4-179.40115.4
91N32.3Very low40.2Very low150 Ų150146 Ų14680%0.80274%0.743SS**SBendtrans-104.922.1-169.9-73.915.6000116.1
92K32.1Very low38Very low197 Ų197149.1 Ų149.186%0.85776%0.76SS**  trans-104.848.2-175.7-154.3-175.4179-175.90114.8
93K31.8Very low36.6Very low199 Ų199150.2 Ų150.287%0.86578%0.775SS**SBendtrans-153.967.7172.7-155178.2-174.9-178.30116.3
94K25.7Very low35.2Very low213 Ų213151.4 Ų151.493%0.92679%0.786SS**SBendtrans177.1153.1145.1-100.6166.4-176.9-176.10110.1
95G27.6Very low34Very low84 Ų84150.5 Ų150.587%0.86679%0.788SS**  trans84.5114.9171.100000116.2
96K26.3Very low33.4Very low178 Ų178153.2 Ų153.277%0.77479%0.793SS**  trans-144.2148167.2-171.2-149.6172-149.80107.3
97E27.9Very low32.9Very low119 Ų119155.2 Ų155.256%0.55680%0.796SS**  trans74151.8178.5-46.5-164.9176.800114.1
98K28.5Very low32.8Very low183 Ų183152.3 Ų152.380%0.79679%0.788SS**  cis-140.3156.11.6-133.8146.1-173.1148.40109.5
99G26.7Very low33Very low81 Ų81148 Ų14884%0.83578%0.775SS**  trans-97.2156.9-176.600000114
100G26Very low33.1Very low81 Ų81147.5 Ų147.584%0.83577%0.773SS**  trans-161.5138.6171.600000111.2
101K34.4Very low33.4Very low201 Ų201143.7 Ų143.787%0.87476%0.762SS**  trans-92.3149.4169-59.5174.3-178.9174.30108.5
102N26.8Very low33.9Very low163 Ų163141.2 Ų141.287%0.87275%0.748SS**  trans-168.4160.9136.5-100.5-17.8000112.4
103A37.7Very low34.2Very low100 Ų100133.9 Ų133.983%0.82673%0.728SS**  trans-81.6158.9168.600000110.7
104I37.1Very low34.5Very low143 Ų143130.5 Ų130.573%0.73371%0.713SS**  trans-121.6144.7-171.1-51.9-179000109.4D108I104-D108 HydrophobicContact CG2-CB 3.91Å; I104-D108 VanDerWaalsContact CG2-OD2 3.26Å; I104-D108 WeakPolarHBondContact CG2-OD2 3.45Å
105N33.8Very low34.9Very low131 Ų131124.6 Ų124.670%0.70170%0.696SS**  trans-116.1178.4-176.7-161-85.9000111K107 D108N105-K107 PolarHBondContact O-N 2.91Å; N105-D108 VanDerWaalsContact O-OD2 3.06Å
106M38.5Very low35.6Very low151 Ų151126.6 Ų126.674%0.74468%0.684SS**THydrogen-bonded Turntrans-84.236.1-166.6-164.1147.257.700114.4
107K40.4Very low36.2Very low177 Ų177124.5 Ų124.577%0.7768%0.675SS**THydrogen-bonded Turntrans-113-35.3171.9-78.5-176.5174.3178.50113N105 V109 K110N105-K107 PolarHBondContact O-N 2.91Å; K107-V109 PolarHBondContact O-N 3.4Å; K107-V109 VanDerWaalsContact O-N 3.1Å; K107-K110 PolarHBondContact O-N 3Å
108D42.6Very low36.6Very low92 Ų92123.6 Ų123.649%0.49267%0.674SS.*THydrogen-bonded Turntrans-69.2-15.5-167.4-48.8-73.8000114I104 N105 K110I104-D108 HydrophobicContact CG2-CB 3.91Å; I104-D108 VanDerWaalsContact CG2-OD2 3.26Å; I104-D108 WeakPolarHBondContact CG2-OD2 3.45Å; N105-D108 VanDerWaalsContact O-OD2 3.06Å; D108-K110 PolarHBondContact O-N 2.91Å
109V47.3Very low36.9Very low77 Ų77123.5 Ų123.547%0.46768%0.676SS.*Hα-helixtrans-66.3-26176.7-171.90000112.2K107 F352K107-V109 PolarHBondContact O-N 3.4Å; K107-V109 VanDerWaalsContact O-N 3.1Å; V109-F352 HydrophobicContact CG1-CZ 4.31Å; V109-F352 HydrophobicContact CG2-CE1 4.08Å; V109-F352 HydrophobicContact CG2-CZ 3.76Å
110K36.9Very low37.4Very low186 Ų186123.5 Ų123.581%0.80967%0.668SS**Hα-helixtrans-80.9-26.8-172.1-152.9179.4-178.1-171.30113.7K107 D108K107-K110 PolarHBondContact O-N 3Å; D108-K110 PolarHBondContact O-N 2.91Å
111D40.9Very low37.9Very low112 Ų112125.8 Ų125.860%0.59966%0.661SS**Hα-helixtrans-84.3-32.6173.9-79.6-35.4000112.5G113 K114 T115D111-G113 VanDerWaalsContact C-N 3.26Å; D111-G113 PolarHBondContact O-N 2.91Å; D111-K114 WeakPolarHBondContact O-CA 3.24Å; D111-K114 WeakPolarHBondContact O-CB 3.48Å; D111-K114 PolarHBondContact O-N 2.9Å; D111-T115 PolarHBondContact O-N 2.82Å; D111-T115 PolarHBondContact O-OG1 2.97Å; D111-T115 VanDerWaalsContact O-OG1 3.13Å
112L42.8Very low38Very low97 Ų97125 Ų12551%0.50866%0.657SS.*Hα-helixtrans-60.9-35.5-179.6-167.568.2000112.7K114 M116L112-K114 PolarHBondContact O-N 2.97Å; L112-M116 PolarHBondContact O-N 2.95Å
113G38.7Very low38.3Very low43 Ų43125 Ų12544%0.44366%0.657SS.*Hα-helixtrans-71.2-10.3172.400000114.7D111D111-G113 VanDerWaalsContact C-N 3.26Å; D111-G113 PolarHBondContact O-N 2.91Å
114K37.8Very low38.3Very low128 Ų128127.9 Ų127.956%0.55766%0.658SS**Hα-helixtrans-91.5-46.8172.9-152-175-176.9-164.80110.5D111 L112 M116 K117 D118D111-K114 WeakPolarHBondContact O-CA 3.24Å; D111-K114 WeakPolarHBondContact O-CB 3.48Å; D111-K114 PolarHBondContact O-N 2.9Å; L112-K114 PolarHBondContact O-N 2.97Å; K114-M116 PolarHBondContact O-N 2.9Å; K114-M116 VanDerWaalsContact O-N 3.15Å; K114-K117 WeakPolarHBondContact O-CA 3.18Å; K114-K117 WeakPolarHBondContact O-CB 3.46Å; K114-K117 PolarHBondContact O-N 2.82Å; K114-D118 PolarHBondContact O-N 2.86Å
115T34.8Very low38.1Very low90 Ų90129.4 Ų129.455%0.55267%0.668SS**Hα-helixtrans-56.4-33.3178.3-40.40000113.3D111D111-T115 PolarHBondContact O-N 2.82Å; D111-T115 PolarHBondContact O-OG1 2.97Å; D111-T115 VanDerWaalsContact O-OG1 3.13Å
116M42.5Very low38Very low125 Ų125128.2 Ų128.262%0.61668%0.676SS**THydrogen-bonded Turntrans-79.7-12.1175.1-71.5-171.2169.300114.6L112 K114L112-M116 PolarHBondContact O-N 2.95Å; K114-M116 PolarHBondContact O-N 2.9Å; K114-M116 VanDerWaalsContact O-N 3.15Å
117K37.1Very low37.6Very low134 Ų134130.3 Ų130.358%0.58368%0.684SS**THydrogen-bonded Turntrans-94.9-33.2176.6-165.8173.8-177.7-177.40112.1K114 Q119 A120K114-K117 WeakPolarHBondContact O-CA 3.18Å; K114-K117 WeakPolarHBondContact O-CB 3.46Å; K114-K117 PolarHBondContact O-N 2.82Å; K117-Q119 PolarHBondContact O-N 2.8Å; K117-Q119 VanDerWaalsContact O-N 3.07Å; K117-A120 PolarHBondContact O-N 3.01Å
118D36.4Very low37.4Very low101 Ų101128.5 Ų128.554%0.5469%0.688SS.*THydrogen-bonded Turntrans-67.3-4.9177-57.5-26.5000113.2K114K114-D118 PolarHBondContact O-N 2.86Å
119Q35.1Very low36.8Very low181 Ų181127.5 Ų127.585%0.84670%0.7SS**THydrogen-bonded Turntrans-101.58.4173.9-151.8173.37.100113.4K117K117-Q119 PolarHBondContact O-N 2.8Å; K117-Q119 VanDerWaalsContact O-N 3.07Å
120A38.7Very low36.4Very low80 Ų80132.4 Ų132.466%0.66172%0.722SS**SBendtrans-133.913179.400000113.4K117K117-A120 PolarHBondContact O-N 3.01Å
121L35.8Very low36Very low130 Ų130129.8 Ų129.868%0.68172%0.723SS**  trans-142.266.7177.8-73.5175.7000110.4
122K36.1Very low35.8Very low185 Ų185132.9 Ų132.980%0.80474%0.739SS**  trans-150.195.6161.5-80-165.2174.3-170.60107
123D32.7Very low35.2Very low163 Ų163131.4 Ų131.487%0.87275%0.747SS**SBendtrans168.570.2159.8-84.4-17.8000106.7
124D38.8Very low35.1Very low159 Ų159138.3 Ų138.385%0.8577%0.768SS**  trans-174.1105.4168.4-98.8-30.8000106.5
125D32.2Very low34.9Very low176 Ų176141.2 Ų141.294%0.94178%0.783SS**  trans14475.9166.9-83.2-18.7000110.8
126A32.2Very low34.9Very low105 Ų105145.6 Ų145.687%0.86880%0.795SS**  trans-145.6110165.400000109.4
127E30.1Very low34.6Very low195 Ų195148.5 Ų148.591%0.91181%0.807SS**  trans-78163.6-173.3-162.4172.9166.900112.7
128T36.5Very low34.6Very low139 Ų139150.8 Ų150.885%0.85382%0.82SS**  trans-59.1132.4-168.152.80000115.1
129G29.4Very low34.6Very low72 Ų72151.6 Ų151.674%0.74283%0.83SS**  trans-139.6123.9165.700000111.4
130L38.1Very low34.8Very low179 Ų179152.2 Ų152.294%0.93783%0.83SS**  trans-90.1115.2-179.9-74.5161.6000111.2
131T28.8Very low35Very low132 Ų132157.4 Ų157.481%0.8184%0.84SS**  trans-147.6120.2159.150.50000109.9G133T131-G133 PolarHBondContact O-N 3.27Å
132D37.4Very low35.7Very low177 Ų177157.4 Ų157.495%0.94785%0.846SS**  trans-65.9128172.4-61.6-70.8000110.8
133G30.5Very low36.9Very low65 Ų65155.8 Ų155.867%0.6784%0.841SS**  trans-151.7117.3174.800000109.6T131 E135T131-G133 PolarHBondContact O-N 3.27Å; G133-E135 PolarHBondContact O-N 3.12Å
134E37Very low39.1Very low189 Ų189155.5 Ų155.588%0.88383%0.832SS**  trans-70.990.9-179-63.2-178.3141.700110.7K136E134-K136 PolarHBondContact O-N 3.23Å
135E32.5Very low41.3Very low189 Ų189149 Ų14988%0.88380%0.797SS**  trans-64.899.4164.9-70.5-161.4152.500109.1G133 E137G133-E135 PolarHBondContact O-N 3.12Å; E135-E137 PolarHBondContact O-N 2.88Å; E135-E137 VanDerWaalsContact O-N 3.11Å
136K34.9Very low44.1Very low182 Ų182140.9 Ų140.979%0.79176%0.755SS**  trans-65.3109.8166.9-72.5-179177.3175.20108.3E134 E138E134-K136 PolarHBondContact O-N 3.23Å; K136-E138 PolarHBondContact O-N 3.11Å; K136-E138 VanDerWaalsContact O-N 3.07Å
137E36.2Very low47.1Very low185 Ų185138.8 Ų138.886%0.86473%0.726SS**PPolyproline II helixtrans-52116.3164.8-64.2-169130.900108.8E135 P139E135-E137 PolarHBondContact O-N 2.88Å; E135-E137 VanDerWaalsContact O-N 3.11Å; E137-P139 WeakPolarHBondContact O-CD 3.29Å
138E36.7Very low50.3Low183 Ų183129.5 Ų129.586%0.85568%0.683SS**PPolyproline II helixtrans-63.6119.8163.9-70.1-167148.800107K136 K140K136-E138 PolarHBondContact O-N 3.11Å; K136-E138 VanDerWaalsContact O-N 3.07Å; E138-K140 PolarHBondContact O-N 3.5Å
139P37.6Very low53.2Low117 Ų117123.9 Ų123.976%0.7665%0.647SS**PPolyproline II helixtrans-65.1117.3-176.626-33.2000108.4E137 E141E137-P139 WeakPolarHBondContact O-CD 3.29Å; P139-E141 PolarHBondContact O-N 2.96Å; P139-E141 VanDerWaalsContact O-N 3.11Å
140K39.1Very low56.4Low194 Ų194120.4 Ų120.484%0.84361%0.611SS**PPolyproline II helixtrans-49.7122.3168.4-68172.4-176.5163.90107.6E138 V142E138-K140 PolarHBondContact O-N 3.5Å; K140-V142 PolarHBondContact O-N 3.47Å
141E42.4Very low59.1Low189 Ų189113 Ų11388%0.88357%0.574SS**  trans-55.6114.4175.8-68.5-169139.900108.2P139 E143P139-E141 PolarHBondContact O-N 2.96Å; P139-E141 VanDerWaalsContact O-N 3.11Å; E141-E143 PolarHBondContact O-N 3.24Å
142V51.3Low62.3Low131 Ų131106.7 Ų106.779%0.79454%0.536SS*.  trans-70101.5177.4179.30000106.5K140 K144K140-V142 PolarHBondContact O-N 3.47Å; V142-K144 PolarHBondContact O-N 3.42Å
143E61.5Low65Low150 Ų150100.8 Ų100.870%0.70150%0.504SS*.  trans-51111175.1-68-174.914700108.6E141 L145E141-E143 PolarHBondContact O-N 3.24Å; E143-L145 HydrophobicContact CB-CD2 4.22Å; E143-L145 PolarHBondContact O-N 2.89Å
144K77.4Confident68Low157 Ų15797.9 Ų97.968%0.68347%0.473SS*.  trans-76.197179.8-75.3-169.8169.1-162.70109.1V142 G146 E170V142-K144 PolarHBondContact O-N 3.42Å; K144-G146 PolarHBondContact O-N 3.21Å; K144-E170 IonicContact NZ-OE2 2.66Å
145L86.2Confident70.7Confident23 Ų2391 Ų9112%0.1244%0.443CS..  trans-81.82177.4-53178.3000113E143 P172 I243 L265 Q266 S267E143-L145 HydrophobicContact CB-CD2 4.22Å; E143-L145 PolarHBondContact O-N 2.89Å; L145-P172 WeakPolarHBondContact O-CD 3.22Å; L145-I243 WeakPolarHBondContact O-CG2 3.35Å; L145-L265 HydrophobicContact CB-CB 4.06Å; L145-L265 WeakPolarHBondContact O-CD1 3.35Å; L145-Q266 VanDerWaalsContact CD1-C 3.48Å; L145-S267 VanDerWaalsContact CD1-N 3.29Å
146G91.2Very high73.4Confident5 Ų587.4 Ų87.45%0.05242%0.424CS..  trans88.8-168.5-178.500000113.6K144 A169 E170 L265K144-G146 PolarHBondContact O-N 3.21Å; G146-A169 CarbonylContact C-O 3.59Å; G146-A169 VanDerWaalsContact CA-O 3.29Å; G146-A169 WeakPolarHBondContact CA-O 3.34Å; G146-E170 WeakPolarHBondContact CA-O 3.32Å; G146-E170 PolarHBondContact N-O 2.93Å; G146-L265 PolarHBondContact O-N 2.85Å
147K95Very high76Confident62 Ų6287.2 Ų87.227%0.2743%0.426SS..EExtended strand (participates in β ladder)trans-130.9151.8-177.6-57179.5-177.4-66.60110.7A168 A169 W262 R263 D264K147-A168 CarbonylContact O-C 3.51Å; K147-A168 WeakPolarHBondContact O-CA 3.21Å; K147-A168 VanDerWaalsContact O-CB 3.3Å; K147-A168 WeakPolarHBondContact O-CB 3.32Å; K147-A169 PolarHBondContact N-O 3.06Å; K147-A169 PolarHBondContact O-N 2.91Å; K147-W262 HydrophobicContact CB-CE3 3.71Å; K147-W262 HydrophobicContact CB-CZ3 3.9Å; K147-R263 CarbonylContact C-O 3.51Å; K147-R263 VanDerWaalsContact CA-O 3.24Å; K147-R263 WeakPolarHBondContact CA-O 3.43Å; K147-D264 IonicContact NZ-OD1 3.42Å; K147-D264 PolarHBondContact NZ-OD1 3.3Å; K147-D264 IonicContact NZ-OD2 2.67Å; K147-D264 PolarHBondContact NZ-OD2 2.87Å
148I96.1Very high78.6Confident0 Ų083.1 Ų83.10%041%0.41CS..EExtended strand (participates in β ladder)trans-121.4140.8172.9-172.7163.9000110.4Y150 I165 V184 M229 V231 W262 R263 L265I148-Y150 HydrophobicContact CG2-CD1 4.47Å; I148-I165 HydrophobicContact CD1-CG2 4.41Å; I148-V184 HydrophobicContact CD1-CG1 4.08Å; I148-V184 HydrophobicContact CD1-CG2 4.2Å; I148-M229 HydrophobicContact CD1-CB 4.33Å; I148-V231 HydrophobicContact CD1-CG2 4.17Å; I148-W262 WeakPolarHBondContact O-CA 3.29Å; I148-R263 PolarHBondContact N-O 3.16Å; I148-R263 PolarHBondContact O-N 2.82Å; I148-L265 HydrophobicContact CB-CD2 4.15Å; I148-L265 HydrophobicContact CG2-CD2 3.73Å; I148-L265 HydrophobicContact CG2-CG 4.34Å
149Q97.3Very high81.3Confident20 Ų2077.9 Ų77.99%0.09339%0.388CS..EExtended strand (participates in β ladder)trans-107.7125.6169.4-169.4-179.8-8.800108.9I166 Q167 E260 E261 W262Q149-I166 HydrophobicContact CB-CB 4.35Å; Q149-I166 HydrophobicContact CG-CB 4.26Å; Q149-I166 HydrophobicContact CG-CD1 4.12Å; Q149-I166 HydrophobicContact CG-CG2 4.44Å; Q149-I166 PolarHBondContact O-N 3.3Å; Q149-I166 VanDerWaalsContact O-N 3.1Å; Q149-Q167 HydrophobicContact CB-CG 4.03Å; Q149-Q167 PolarHBondContact N-O 2.8Å; Q149-Q167 PolarHBondContact O-N 2.96Å; Q149-E260 PolarHBondContact NE2-OE1 3.01Å; Q149-E261 WeakPolarHBondContact CA-O 3.09Å; Q149-W262 HydrophobicContact CB-CD2 3.73Å; Q149-W262 HydrophobicContact CB-CE3 3.9Å; Q149-W262 HydrophobicContact CB-CG 4.29Å; Q149-W262 HydrophobicContact CB-CH2 4.13Å; Q149-W262 HydrophobicContact CB-CZ2 3.94Å; Q149-W262 HydrophobicContact CB-CZ3 4.09Å; Q149-W262 HydrophobicContact CG-CD2 4.19Å; Q149-W262 HydrophobicContact CG-CG 4.34Å; Q149-W262 HydrophobicContact CG-CZ2 4.46Å; Q149-W262 VanDerWaalsContact OE1-CE2 3.25Å
150Y96.7Very high83.9Confident0 Ų073.9 Ų73.90%036%0.359CS..EExtended strand (participates in β ladder)trans-134.1161.6178.462.4-99.7000110.9I148 L152 G164 M229 Y246 E260 E261 R263I148-Y150 HydrophobicContact CG2-CD1 4.47Å; Y150-L152 HydrophobicContact CD2-CD1 4.33Å; Y150-L152 HydrophobicContact CD2-CD2 4.35Å; Y150-L152 HydrophobicContact CD2-CG 3.87Å; Y150-L152 HydrophobicContact CE2-CD1 3.94Å; Y150-L152 HydrophobicContact CE2-CG 3.96Å; Y150-G164 CarbonylContact C-O 3.55Å; Y150-G164 WeakPolarHBondContact CA-O 3.39Å; Y150-G164 WeakPolarHBondContact CB-O 3.44Å; Y150-M229 HydrophobicContact CD1-CE 3.44Å; Y150-M229 VanDerWaalsContact CD1-CE 3.44Å; Y150-M229 HydrophobicContact CD1-SD 4.02Å; Y150-M229 HydrophobicContact CD2-CE 4.2Å; Y150-M229 HydrophobicContact CE1-CE 3.7Å; Y150-M229 HydrophobicContact CE2-CE 4.46Å; Y150-M229 HydrophobicContact CG-CE 3.71Å; Y150-M229 HydrophobicContact CG-SD 3.91Å; Y150-Y246 AromaticContact CE1-CD1 3.79Å; Y150-Y246 HydrophobicContact CE1-CD1 3.79Å; Y150-Y246 AromaticContact CE1-CE1 3.59Å; Y150-Y246 HydrophobicContact CE1-CE1 3.59Å; Y150-Y246 AromaticContact CZ-CE1 3.84Å; Y150-Y246 WeakPolarHBondContact OH-CE1 3.27Å; Y150-E260 WeakPolarHBondContact O-CA 3.27Å; Y150-E260 WeakPolarHBondContact O-CG 3.21Å; Y150-E261 HydrophobicContact CE1-CG 4.42Å; Y150-E261 HydrophobicContact CE2-CG 3.72Å; Y150-E261 PolarHBondContact N-O 2.81Å; Y150-E261 PolarHBondContact O-N 2.91Å; Y150-E261 PolarHBondContact OH-OE1 2.99Å; Y150-R263 HydrophobicContact CE1-CB 4.12Å; Y150-R263 HydrophobicContact CE1-CG 3.81Å
151S96Very high86.5Confident23 Ų2364.7 Ų64.716%0.16132%0.319CS..EExtended strand (participates in β ladder)trans-121.9143.6165.457.30000111.5V163 G164 T259S151-V163 WeakPolarHBondContact O-CA 3.49Å; S151-G164 PolarHBondContact N-O 3.47Å; S151-G164 PolarHBondContact O-N 2.67Å; S151-T259 CarbonylContact C-O 3.56Å; S151-T259 VanDerWaalsContact CA-O 3.25Å; S151-T259 WeakPolarHBondContact CA-O 3.39Å
152L95.4Very high89Confident0 Ų057.2 Ų57.20%029%0.285CS..EExtended strand (participates in β ladder)trans-125.1133.6174.5-58.5178.4000109.5Y150 L162 V163 L227 V248 M250 V253 F255 T259Y150-L152 HydrophobicContact CD2-CD1 4.33Å; Y150-L152 HydrophobicContact CD2-CD2 4.35Å; Y150-L152 HydrophobicContact CD2-CG 3.87Å; Y150-L152 HydrophobicContact CE2-CD1 3.94Å; Y150-L152 HydrophobicContact CE2-CG 3.96Å; L152-L162 WeakPolarHBondContact CA-O 3.49Å; L152-V163 HydrophobicContact CD2-CB 4.29Å; L152-V163 HydrophobicContact CD2-CG1 3.99Å; L152-V163 HydrophobicContact CD2-CG2 3.89Å; L152-L227 HydrophobicContact CD1-CD2 4.47Å; L152-L227 HydrophobicContact CD2-CD2 3.4Å; L152-L227 VanDerWaalsContact CD2-CD2 3.4Å; L152-V248 HydrophobicContact CD1-CG1 4.15Å; L152-M250 HydrophobicContact CD1-CE 3.97Å; L152-V253 HydrophobicContact CD1-CG1 4.25Å; L152-V253 HydrophobicContact CD1-CG2 4.02Å; L152-F255 HydrophobicContact CB-CE1 4.42Å; L152-T259 PolarHBondContact N-O 2.91Å; L152-T259 PolarHBondContact O-N 2.84Å
153D94.4Very high91.1Very high53 Ų5351 Ų5128%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-146.3158.3175.8-179.529.9000109L162 V258D153-L162 HydrophobicContact CB-CB 4.18Å; D153-L162 HydrophobicContact CB-CD1 4.5Å; D153-L162 PolarHBondContact N-O 2.96Å; D153-L162 VanDerWaalsContact N-O 3.07Å; D153-L162 PolarHBondContact O-N 2.86Å; D153-V258 HydrophobicContact CB-CG1 4.42Å; D153-V258 HydrophobicContact CB-CG2 4.15Å
154Y93.8Very high92.8Very high4 Ų444.1 Ų44.12%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-132.1114.6179.3-170.9-91.8000112F156 N159 L161 V217 Y219 L222Y154-F156 AromaticContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD2 4.01Å; Y154-F156 AromaticContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE2 4.06Å; Y154-F156 AromaticContact CD1-CG 3.81Å; Y154-F156 HydrophobicContact CD1-CG 3.81Å; Y154-F156 AromaticContact CD1-CZ 3.92Å; Y154-F156 HydrophobicContact CD1-CZ 3.92Å; Y154-F156 AromaticContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CE1 4.18Å; Y154-F156 HydrophobicContact CE1-CG 4.2Å; Y154-F156 WeakPolarHBondContact O-CD2 3.32Å; Y154-F156 WeakPolarHBondContact O-CE2 3.1Å; Y154-F156 PolarHBondContact O-N 2.57Å; Y154-N159 VanDerWaalsContact OH-CA 3.29Å; Y154-N159 WeakPolarHBondContact OH-CA 2.92Å; Y154-L161 HydrophobicContact CD2-CB 4.06Å; Y154-L161 HydrophobicContact CD2-CD1 4.37Å; Y154-L161 HydrophobicContact CE2-CB 4.41Å; Y154-V217 WeakPolarHBondContact CE2-O 3.43Å; Y154-V217 PolarHBondContact OH-O 2.92Å; Y154-Y219 AromaticContact CD1-CD2 3.94Å; Y154-Y219 HydrophobicContact CD1-CD2 3.94Å; Y154-Y219 AromaticContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CG 4.31Å; Y154-Y219 HydrophobicContact CG-CD2 4.35Å; Y154-Y219 PolarHBondContact OH-N 3.06Å; Y154-L222 HydrophobicContact CD2-CD2 3.63Å; Y154-L222 HydrophobicContact CE2-CD2 3.89Å; Y154-L222 HydrophobicContact CG-CD2 4.35Å
155D93.2Very high93.7Very high45 Ų4536.6 Ų36.624%0.24118%0.184CC..EExtended strand (participates in β ladder)trans-77.196.9174.7-174.8-21000110.1Q157 N158 N159 Q160D155-Q157 PolarHBondContact O-N 2.96Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.32Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.39Å; D155-Q157 PolarHBondContact OD1-N 2.91Å; D155-N158 PolarHBondContact OD1-N 2.88Å; D155-N158 WeakPolarHBondContact OD2-CB 3.5Å; D155-N158 PolarHBondContact OD2-ND2 2.87Å; D155-N159 WeakPolarHBondContact O-CA 3.45Å; D155-N159 PolarHBondContact O-N 2.87Å; D155-Q160 PolarHBondContact N-O 2.94Å; D155-Q160 PolarHBondContact O-N 2.91Å
156F89.1Confident94.2Very high113 Ų11336.8 Ų36.850%0.49619%0.185SC..THydrogen-bonded Turntrans-65.8-20.8175.3-66-84.6000114.1Y154 Y219 F255Y154-F156 AromaticContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD1 3.67Å; Y154-F156 HydrophobicContact CD1-CD2 4.01Å; Y154-F156 AromaticContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE1 3.72Å; Y154-F156 HydrophobicContact CD1-CE2 4.06Å; Y154-F156 AromaticContact CD1-CG 3.81Å; Y154-F156 HydrophobicContact CD1-CG 3.81Å; Y154-F156 AromaticContact CD1-CZ 3.92Å; Y154-F156 HydrophobicContact CD1-CZ 3.92Å; Y154-F156 AromaticContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CD1 3.85Å; Y154-F156 HydrophobicContact CE1-CE1 4.18Å; Y154-F156 HydrophobicContact CE1-CG 4.2Å; Y154-F156 WeakPolarHBondContact O-CD2 3.32Å; Y154-F156 WeakPolarHBondContact O-CE2 3.1Å; Y154-F156 PolarHBondContact O-N 2.57Å; F156-Y219 HydrophobicContact CD1-CD2 4.45Å; F156-Y219 AromaticContact CE1-CD2 3.66Å; F156-Y219 HydrophobicContact CE1-CD2 3.66Å; F156-Y219 AromaticContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CG 4.13Å; F156-Y219 HydrophobicContact CZ-CD2 4.31Å; F156-Y219 HydrophobicContact CZ-CE2 4.04Å; F156-F255 WeakPolarHBondContact CE2-O 3.39Å; F156-F255 HydrophobicContact CZ-CB 4.1Å
157Q90.4Very high94.4Very high178 Ų17839.5 Ų39.583%0.83220%0.196SC*.THydrogen-bonded Turntrans-79.3-48178-57.1-173.3400110.3D155D155-Q157 PolarHBondContact O-N 2.96Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.32Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.39Å; D155-Q157 PolarHBondContact OD1-N 2.91Å
158N90.4Very high94.5Very high98 Ų9836.6 Ų36.652%0.52418%0.183SC..THydrogen-bonded Turntrans-93.1-5.7-176.7-66.3-73.1000114.1D155 Q160D155-N158 PolarHBondContact OD1-N 2.88Å; D155-N158 WeakPolarHBondContact OD2-CB 3.5Å; D155-N158 PolarHBondContact OD2-ND2 2.87Å; N158-Q160 HydrophobicContact CB-CG 4.07Å; N158-Q160 WeakPolarHBondContact O-CG 3.2Å; N158-Q160 PolarHBondContact O-NE2 2.87Å
159N92.1Very high94.4Very high74 Ų7437.5 Ų37.540%0.39619%0.191SC..THydrogen-bonded Turntrans5855.3-177.2-73.2-98.8000113.7Y154 D155 V217Y154-N159 VanDerWaalsContact OH-CA 3.29Å; Y154-N159 WeakPolarHBondContact OH-CA 2.92Å; D155-N159 WeakPolarHBondContact O-CA 3.45Å; D155-N159 PolarHBondContact O-N 2.87Å; N159-V217 CarbonylContact O-C 3.53Å; N159-V217 PolarHBondContact O-N 2.88Å; N159-V217 VanDerWaalsContact O-O 3.1Å
160Q93.2Very high94.1Very high33 Ų3341.6 Ų41.615%0.15421%0.21CC..EExtended strand (participates in β ladder)trans-139.3130.1-174.3-39.4-173.62400111.3D155 N158 T214 F215 K216D155-Q160 PolarHBondContact N-O 2.94Å; D155-Q160 PolarHBondContact O-N 2.91Å; N158-Q160 HydrophobicContact CB-CG 4.07Å; N158-Q160 WeakPolarHBondContact O-CG 3.2Å; N158-Q160 PolarHBondContact O-NE2 2.87Å; Q160-T214 HydrophobicContact CB-CG2 3.65Å; Q160-T214 HydrophobicContact CG-CG2 4.37Å; Q160-F215 WeakPolarHBondContact CA-O 3.41Å; Q160-K216 HydrophobicContact CG-CG 4.08Å; Q160-K216 VanDerWaalsContact OE1-CE 3.3Å
161L93.6Very high93.9Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-77.5127.8170.5176.378000108.9Y154 V163 L188 T214 F215 L222 M250 F255Y154-L161 HydrophobicContact CD2-CB 4.06Å; Y154-L161 HydrophobicContact CD2-CD1 4.37Å; Y154-L161 HydrophobicContact CE2-CB 4.41Å; L161-V163 HydrophobicContact CD2-CG2 3.85Å; L161-V163 HydrophobicContact CG-CG2 3.98Å; L161-L188 HydrophobicContact CD2-CD1 4.22Å; L161-L188 HydrophobicContact CD2-CD2 4.05Å; L161-T214 CarbonylContact O-C 3.51Å; L161-T214 WeakPolarHBondContact O-CA 3.36Å; L161-F215 HydrophobicContact CB-CB 4.29Å; L161-F215 PolarHBondContact N-O 3.34Å; L161-F215 PolarHBondContact O-N 2.89Å; L161-L222 HydrophobicContact CD2-CD1 4.31Å; L161-M250 HydrophobicContact CD1-SD 4.28Å; L161-M250 HydrophobicContact CD2-SD 3.71Å; L161-F255 HydrophobicContact CD1-CD1 4.36Å; L161-F255 HydrophobicContact CD1-CE1 3.45Å; L161-F255 VanDerWaalsContact CD1-CE1 3.45Å; L161-F255 HydrophobicContact CD1-CZ 3.86Å
162L94.6Very high93.6Very high32 Ų3242.3 Ų42.317%0.16821%0.214CC..EExtended strand (participates in β ladder)trans-100.3128.4174.2-64.2173.2000109.1L152 D153 T214L152-L162 WeakPolarHBondContact CA-O 3.49Å; D153-L162 HydrophobicContact CB-CB 4.18Å; D153-L162 HydrophobicContact CB-CD1 4.5Å; D153-L162 PolarHBondContact N-O 2.96Å; D153-L162 VanDerWaalsContact N-O 3.07Å; D153-L162 PolarHBondContact O-N 2.86Å; L162-T214 HydrophobicContact CD2-CG2 3.77Å; L162-T214 WeakPolarHBondContact CD2-OG1 3.19Å
163V96.1Very high93.2Very high0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-126.8107.6-179.6-176.70000108.8S151 L152 L161 I165 V186 Q212 F213 F215 L227 M229S151-V163 WeakPolarHBondContact O-CA 3.49Å; L152-V163 HydrophobicContact CD2-CB 4.29Å; L152-V163 HydrophobicContact CD2-CG1 3.99Å; L152-V163 HydrophobicContact CD2-CG2 3.89Å; L161-V163 HydrophobicContact CD2-CG2 3.85Å; L161-V163 HydrophobicContact CG-CG2 3.98Å; V163-I165 HydrophobicContact CG1-CD1 4.15Å; V163-V186 HydrophobicContact CG1-CG1 3.94Å; V163-Q212 WeakPolarHBondContact O-CA 3.33Å; V163-F213 PolarHBondContact N-O 2.97Å; V163-F213 PolarHBondContact O-N 3.04Å; V163-F215 HydrophobicContact CB-CE2 4.4Å; V163-F215 HydrophobicContact CG2-CD2 3.93Å; V163-F215 HydrophobicContact CG2-CE2 3.93Å; V163-L227 HydrophobicContact CG1-CD2 3.85Å; V163-L227 HydrophobicContact CG2-CD1 4.06Å; V163-L227 HydrophobicContact CG2-CD2 3.89Å; V163-M229 HydrophobicContact CG1-SD 4.34Å
164G96.3Very high92.6Very high6 Ų645.8 Ų45.86%0.06224%0.239CC..EExtended strand (participates in β ladder)trans-89.6126.1171.800000111.1Y150 S151Y150-G164 CarbonylContact C-O 3.55Å; Y150-G164 WeakPolarHBondContact CA-O 3.39Å; Y150-G164 WeakPolarHBondContact CB-O 3.44Å; S151-G164 PolarHBondContact N-O 3.47Å; S151-G164 PolarHBondContact O-N 2.67Å
165I97.3Very high91.9Very high0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-100.4107.4166.1-54-55.7000107.1I148 V163 V184 V186 T198 F209 N210 E211 F213 M229I148-I165 HydrophobicContact CD1-CG2 4.41Å; V163-I165 HydrophobicContact CG1-CD1 4.15Å; I165-V184 HydrophobicContact CG2-CB 4.24Å; I165-V184 HydrophobicContact CG2-CG2 3.88Å; I165-V186 HydrophobicContact CD1-CG2 3.8Å; I165-V186 HydrophobicContact CG1-CG2 3.74Å; I165-T198 HydrophobicContact CB-CG2 4.22Å; I165-T198 HydrophobicContact CG1-CG2 4.4Å; I165-T198 HydrophobicContact CG2-CG2 4.13Å; I165-F209 HydrophobicContact CG2-CB 4.23Å; I165-F209 HydrophobicContact CG2-CD2 3.71Å; I165-F209 HydrophobicContact CG2-CE2 4.38Å; I165-F209 HydrophobicContact CG2-CG 4.16Å; I165-N210 WeakPolarHBondContact O-CA 3.21Å; I165-N210 PolarHBondContact O-N 2.92Å; I165-N210 VanDerWaalsContact O-N 3.12Å; I165-E211 PolarHBondContact N-O 2.94Å; I165-E211 PolarHBondContact O-N 2.86Å; I165-F213 HydrophobicContact CG1-CD2 4.17Å; I165-F213 HydrophobicContact CG1-CE2 3.86Å; I165-M229 HydrophobicContact CD1-CG 3.95Å; I165-M229 HydrophobicContact CD1-SD 3.52Å; I165-M229 VanDerWaalsContact CD1-SD 3.52Å
166I96.4Very high90.8Very high27 Ų2755.8 Ų55.814%0.13829%0.288CS..EExtended strand (participates in β ladder)trans-88.4-66.7-170.5-62.3166.3000108.8Q149 F209 N210 E260Q149-I166 HydrophobicContact CB-CB 4.35Å; Q149-I166 HydrophobicContact CG-CB 4.26Å; Q149-I166 HydrophobicContact CG-CD1 4.12Å; Q149-I166 HydrophobicContact CG-CG2 4.44Å; Q149-I166 PolarHBondContact O-N 3.3Å; Q149-I166 VanDerWaalsContact O-N 3.1Å; I166-F209 PolarHBondContact O-N 3.18Å; I166-N210 PolarHBondContact O-N 3.43Å; I166-N210 PolarHBondContact O-OD1 2.97Å; I166-E260 VanDerWaalsContact CD1-CD 3.43Å; I166-E260 HydrophobicContact CD1-CG 3.63Å
167Q96.1Very high89.9Confident62 Ų6253.4 Ų53.429%0.2930%0.296SS..EExtended strand (participates in β ladder)trans-156.5168-179.561.5-173.4-17.500111.6Q149 P207 V208 W262Q149-Q167 HydrophobicContact CB-CG 4.03Å; Q149-Q167 PolarHBondContact N-O 2.8Å; Q149-Q167 PolarHBondContact O-N 2.96Å; Q167-P207 CarbonylContact C-O 3.6Å; Q167-P207 WeakPolarHBondContact CA-O 3.33Å; Q167-P207 VanDerWaalsContact CB-O 3.28Å; Q167-P207 WeakPolarHBondContact CB-O 3.39Å; Q167-V208 HydrophobicContact CB-CB 4.36Å; Q167-V208 HydrophobicContact CB-CG1 4.48Å; Q167-V208 HydrophobicContact CB-CG2 4.08Å; Q167-W262 HydrophobicContact CG-CH2 3.82Å; Q167-W262 HydrophobicContact CG-CZ2 3.99Å
168A96.1Very high89.3Confident0 Ų047.3 Ų47.30%028%0.281CS..EExtended strand (participates in β ladder)trans-127.5160.4165.200000110.1K147 L171 N206 P207 F209K147-A168 CarbonylContact O-C 3.51Å; K147-A168 WeakPolarHBondContact O-CA 3.21Å; K147-A168 VanDerWaalsContact O-CB 3.3Å; K147-A168 WeakPolarHBondContact O-CB 3.32Å; A168-L171 HydrophobicContact CB-CD1 4.12Å; A168-L171 HydrophobicContact CB-CD2 4.09Å; A168-L171 HydrophobicContact CB-CG 4.25Å; A168-N206 CarbonylContact O-C 3.56Å; A168-N206 WeakPolarHBondContact O-CA 3.29Å; A168-P207 HydrophobicContact CB-CG 3.95Å; A168-P207 PolarHBondContact N-O 3.21Å; A168-P207 WeakPolarHBondContact O-CD 3.45Å; A168-F209 HydrophobicContact CB-CE2 4.35Å
169A93.8Very high89.1Confident20 Ų2044.1 Ų44.117%0.16526%0.264CS..EExtended strand (participates in β ladder)trans-145.3159.6-177.800000112G146 K147 L171 N206 W262G146-A169 CarbonylContact C-O 3.59Å; G146-A169 VanDerWaalsContact CA-O 3.29Å; G146-A169 WeakPolarHBondContact CA-O 3.34Å; K147-A169 PolarHBondContact N-O 3.06Å; K147-A169 PolarHBondContact O-N 2.91Å; A169-L171 PolarHBondContact O-N 3.31Å; A169-L171 VanDerWaalsContact O-N 3.16Å; A169-N206 VanDerWaalsContact CA-OD1 3.22Å; A169-N206 WeakPolarHBondContact CA-OD1 3.42Å; A169-W262 HydrophobicContact CB-CH2 3.7Å; A169-W262 HydrophobicContact CB-CZ3 3.8Å
170E92Very high88.9Confident106 Ų10640.6 Ų40.650%0.49525%0.246SC..SBendtrans53.928.7-180-65-177.5-142.200114.1K144 G146 N206K144-E170 IonicContact NZ-OE2 2.66Å; G146-E170 WeakPolarHBondContact CA-O 3.32Å; G146-E170 PolarHBondContact N-O 2.93Å; E170-N206 PolarHBondContact N-OD1 3.39Å
171L91.9Very high88.8Confident4 Ų439.9 Ų39.92%0.02124%0.243CC..  trans-65.1143.1178.2-59-178.5000110.9A168 A169 P182 L205 P207 V231 I243 L265A168-L171 HydrophobicContact CB-CD1 4.12Å; A168-L171 HydrophobicContact CB-CD2 4.09Å; A168-L171 HydrophobicContact CB-CG 4.25Å; A169-L171 PolarHBondContact O-N 3.31Å; A169-L171 VanDerWaalsContact O-N 3.16Å; L171-P182 HydrophobicContact CD1-CB 3.7Å; L171-P182 HydrophobicContact CD1-CG 3.95Å; L171-L205 HydrophobicContact CB-CB 4.46Å; L171-L205 WeakPolarHBondContact CB-O 3.15Å; L171-L205 WeakPolarHBondContact CG-O 3.32Å; L171-L205 PolarHBondContact N-O 2.86Å; L171-L205 VanDerWaalsContact N-O 3.1Å; L171-L205 WeakPolarHBondContact O-CB 3.38Å; L171-P207 HydrophobicContact CD1-CG 3.91Å; L171-V231 HydrophobicContact CD1-CG1 4.22Å; L171-V231 HydrophobicContact CD2-CG1 4.44Å; L171-I243 HydrophobicContact CD2-CG2 4.13Å; L171-L265 HydrophobicContact CD2-CD1 3.63Å
172P88.9Confident88.9Confident34 Ų3439.9 Ų39.922%0.22124%0.243CC..  trans-66.3147172.228.8-36.1000111.1L145 L174 S180 I243L145-P172 WeakPolarHBondContact O-CD 3.22Å; P172-L174 HydrophobicContact CB-CD2 4.44Å; P172-S180 PolarHBondContact O-OG 3.4Å; P172-I243 HydrophobicContact CG-CG2 3.73Å
173A87.2Confident88.9Confident45 Ų4538.7 Ų38.737%0.37224%0.236SC..  trans-87.1113.6172.200000110.6G178 T179 L205A173-G178 VanDerWaalsContact CB-C 3.42Å; A173-T179 CarbonylContact C-O 3.37Å; A173-T179 WeakPolarHBondContact CA-O 3.42Å; A173-T179 WeakPolarHBondContact CB-O 3.33Å; A173-L205 HydrophobicContact CB-CD1 4.17Å; A173-L205 HydrophobicContact CB-CD2 3.98Å
174L82.2Confident88.9Confident81 Ų8138.7 Ų38.742%0.42424%0.236SC..  trans-98.2-22176.4-50.1-178.6000112.7P172 T179 S180 D233 D241 I243P172-L174 HydrophobicContact CB-CD2 4.44Å; L174-T179 PolarHBondContact N-O 3.43Å; L174-S180 PolarHBondContact N-OG 2.95Å; L174-S180 VanDerWaalsContact N-OG 3.11Å; L174-D233 WeakPolarHBondContact CB-OD2 3.44Å; L174-D233 HydrophobicContact CD1-CB 4.18Å; L174-D241 HydrophobicContact CD1-CB 3.88Å; L174-I243 HydrophobicContact CD1-CG1 3.82Å; L174-I243 HydrophobicContact CG-CG1 4.49Å
175D79.8Confident88.9Confident56 Ų5639.9 Ų39.930%0.29924%0.24SC..SBendtrans-62.3146.5173.8-83.1-52.5000112G177 G178 T179D175-G177 PolarHBondContact O-N 2.91Å; D175-G178 PolarHBondContact O-N 3.34Å; D175-T179 WeakPolarHBondContact CB-O 3.47Å; D175-T179 PolarHBondContact N-O 3.29Å; D175-T179 PolarHBondContact OD2-OG1 3.47Å
176M70Confident88.8Confident203 Ų20339.9 Ų39.9100%124%0.24SC*.THydrogen-bonded Turntrans-56.7-10.5161.4-67.1-169.966.300114.4
177G69.6Low88.6Confident63 Ų6339.1 Ų39.165%0.64924%0.235SC*.THydrogen-bonded Turntrans-87.9-5.9176.200000115.3D175D175-G177 PolarHBondContact O-N 2.91Å
178G78.3Confident88.4Confident50 Ų5036.5 Ų36.552%0.51522%0.224SC..SBendtrans7527.5-172.500000113.2A173 D175A173-G178 VanDerWaalsContact CB-C 3.42Å; D175-G178 PolarHBondContact O-N 3.34Å
179T85.1Confident88Confident30 Ų3038.8 Ų38.818%0.18424%0.236CC..  trans-136-172177.3560000110A173 L174 D175 K203A173-T179 CarbonylContact C-O 3.37Å; A173-T179 WeakPolarHBondContact CA-O 3.42Å; A173-T179 WeakPolarHBondContact CB-O 3.33Å; L174-T179 PolarHBondContact N-O 3.43Å; D175-T179 WeakPolarHBondContact CB-O 3.47Å; D175-T179 PolarHBondContact N-O 3.29Å; D175-T179 PolarHBondContact OD2-OG1 3.47Å; T179-K203 HydrophobicContact CG2-CB 4.13Å
180S88.8Confident87.4Confident0 Ų042.9 Ų42.90%026%0.26CS..  trans-143.2162.7160.5-79.50000108.4P172 L174 P182 K203 T204 D233P172-S180 PolarHBondContact O-OG 3.4Å; L174-S180 PolarHBondContact N-OG 2.95Å; L174-S180 VanDerWaalsContact N-OG 3.11Å; S180-P182 WeakPolarHBondContact O-CD 3.48Å; S180-K203 CarbonylContact O-C 3.53Å; S180-K203 WeakPolarHBondContact O-CA 3.27Å; S180-K203 PolarHBondContact O-N 2.92Å; S180-T204 PolarHBondContact O-N 2.86Å; S180-D233 WeakPolarHBondContact CA-OD2 3.38Å; S180-D233 VanDerWaalsContact CB-CG 3.44Å; S180-D233 WeakPolarHBondContact CB-OD1 3.5Å; S180-D233 WeakPolarHBondContact CB-OD2 3.39Å; S180-D233 PolarHBondContact OG-OD2 3.38Å
181D91.7Very high86.6Confident18 Ų1840.8 Ų40.810%0.09625%0.252CS..  trans-103.865.2167.3-84.712.4000109.1V200 H201 R202 K203 D233 F234D181-V200 HydrophobicContact CB-CG1 3.93Å; D181-H201 CarbonylContact C-O 3.59Å; D181-H201 WeakPolarHBondContact CA-O 3.44Å; D181-R202 WeakPolarHBondContact OD1-CA 3.38Å; D181-R202 WeakPolarHBondContact OD1-CB 3.35Å; D181-R202 WeakPolarHBondContact OD2-CD 3.2Å; D181-R202 WeakPolarHBondContact OD2-CG 3.28Å; D181-R202 IonicContact OD2-NE 2.87Å; D181-R202 PolarHBondContact OD2-NE 3.4Å; D181-K203 PolarHBondContact OD1-N 2.74Å; D181-D233 WeakPolarHBondContact CA-OD1 3.49Å; D181-D233 PolarHBondContact N-OD1 2.87Å; D181-F234 HydrophobicContact CB-CB 4.04Å; D181-F234 VanDerWaalsContact O-CB 3.28Å; D181-F234 WeakPolarHBondContact O-CB 3.27Å; D181-F234 PolarHBondContact O-N 3.45Å
182P94Very high85.7Confident0 Ų045.1 Ų45.10%027%0.271CS..EExtended strand (participates in β ladder)trans-68.4150.5-169.228.5-39.9000115.6L171 S180 H201 T204 P207 V231 Y232 I243L171-P182 HydrophobicContact CD1-CB 3.7Å; L171-P182 HydrophobicContact CD1-CG 3.95Å; S180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-H201 WeakPolarHBondContact CD-O 3.47Å; P182-H201 PolarHBondContact O-N 3.47Å; P182-T204 WeakPolarHBondContact CD-O 3.47Å; P182-T204 HydrophobicContact CG-CG2 4.1Å; P182-T204 VanDerWaalsContact CG-O 3.28Å; P182-T204 WeakPolarHBondContact CG-O 3.4Å; P182-P207 HydrophobicContact CB-CG 4.17Å; P182-P207 HydrophobicContact CG-CB 3.92Å; P182-P207 HydrophobicContact CG-CG 3.65Å; P182-V231 HydrophobicContact CB-CG1 4.44Å; P182-Y232 CarbonylContact C-O 3.5Å; P182-Y232 WeakPolarHBondContact CA-O 3.41Å; P182-I243 HydrophobicContact CB-CD1 4.38Å
183Y95.9Very high84.8Confident7 Ų752.7 Ų52.73%0.02730%0.301CS..EExtended strand (participates in β ladder)trans-152.8159.3168.681.2-75.5000111.9K185 E197 K199 V200 V231 Y232 F234 H240Y183-K185 HydrophobicContact CE2-CG 3.98Å; Y183-K185 WeakPolarHBondContact OH-CE 3.16Å; Y183-K185 PolarHBondContact OH-NZ 3.4Å; Y183-E197 HydrophobicContact CD2-CB 4.28Å; Y183-E197 HydrophobicContact CE2-CB 4.14Å; Y183-E197 HydrophobicContact CE2-CG 4.45Å; Y183-E197 VanDerWaalsContact CE2-OE2 3.3Å; Y183-E197 WeakPolarHBondContact CE2-OE2 3.45Å; Y183-K199 WeakPolarHBondContact CB-O 3.44Å; Y183-V200 HydrophobicContact CD1-CG2 4.23Å; Y183-V200 HydrophobicContact CG-CG2 4.11Å; Y183-V231 WeakPolarHBondContact O-CA 2.98Å; Y183-Y232 WeakPolarHBondContact CD1-O 3.21Å; Y183-Y232 HydrophobicContact CE1-CG 4.48Å; Y183-Y232 PolarHBondContact N-O 2.86Å; Y183-Y232 PolarHBondContact O-N 3.24Å; Y183-F234 HydrophobicContact CD1-CB 4.13Å; Y183-F234 HydrophobicContact CE1-CB 4.27Å; Y183-H240 AromaticContact CE1-ND1 3.55Å; Y183-H240 AromaticContact CZ-ND1 3.63Å; Y183-H240 PolarHBondContact OH-ND1 2.91Å
184V96.3Very high84.5Confident0 Ų055.6 Ų55.60%031%0.305CS..EExtended strand (participates in β ladder)trans-113.7131.7-175.4-166.90000110.8I148 I165 V186 E197 T198 F209 M229 A230 V231I148-V184 HydrophobicContact CD1-CG1 4.08Å; I148-V184 HydrophobicContact CD1-CG2 4.2Å; I165-V184 HydrophobicContact CG2-CB 4.24Å; I165-V184 HydrophobicContact CG2-CG2 3.88Å; V184-V186 HydrophobicContact CG1-CG2 4.15Å; V184-E197 CarbonylContact O-C 3.58Å; V184-E197 WeakPolarHBondContact O-CA 3.39Å; V184-T198 HydrophobicContact CB-CG2 3.92Å; V184-T198 HydrophobicContact CG2-CG2 4.37Å; V184-T198 PolarHBondContact N-OG1 3.26Å; V184-T198 PolarHBondContact O-N 3.24Å; V184-F209 HydrophobicContact CG2-CD2 4.22Å; V184-F209 HydrophobicContact CG2-CE1 4.4Å; V184-F209 HydrophobicContact CG2-CE2 3.59Å; V184-F209 HydrophobicContact CG2-CZ 3.7Å; V184-M229 HydrophobicContact CG1-CB 4.27Å; V184-A230 WeakPolarHBondContact CA-O 3.49Å; V184-V231 HydrophobicContact CG1-CG2 4.44Å; V184-V231 HydrophobicContact CG2-CG2 4.15Å
185K94.8Very high84.8Confident31 Ų3155.6 Ų55.614%0.13530%0.301CS..EExtended strand (participates in β ladder)trans-97.9131.5166.5-55.9-170.7-167-114.80109.7Y183 Y196 E197 A230 Y232Y183-K185 HydrophobicContact CE2-CG 3.98Å; Y183-K185 WeakPolarHBondContact OH-CE 3.16Å; Y183-K185 PolarHBondContact OH-NZ 3.4Å; K185-Y196 CarbonylContact C-O 3.13Å; K185-Y196 WeakPolarHBondContact CA-O 3.29Å; K185-E197 WeakPolarHBondContact CD-OE1 3.33Å; K185-E197 WeakPolarHBondContact CE-OE1 3.34Å; K185-E197 HydrophobicContact CG-CG 4.04Å; K185-E197 VanDerWaalsContact NZ-CD 3.33Å; K185-E197 IonicContact NZ-OE1 2.64Å; K185-E197 PolarHBondContact NZ-OE1 3.03Å; K185-E197 IonicContact NZ-OE2 3.81Å; K185-E197 PolarHBondContact NZ-OE2 3.05Å; K185-A230 PolarHBondContact N-O 3.04Å; K185-A230 PolarHBondContact O-N 3.24Å; K185-Y232 HydrophobicContact CB-CD2 4.37Å; K185-Y232 HydrophobicContact CB-CE2 4.1Å; K185-Y232 HydrophobicContact CD-CD2 3.78Å; K185-Y232 HydrophobicContact CD-CE2 3.39Å; K185-Y232 HydrophobicContact CG-CD2 3.72Å; K185-Y232 HydrophobicContact CG-CE2 3.71Å
186V95Very high85.5Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-122.6124.2-176.3-169.80000109.4V163 I165 V184 Y196 F213 F215 L227 V228 M229V163-V186 HydrophobicContact CG1-CG1 3.94Å; I165-V186 HydrophobicContact CD1-CG2 3.8Å; I165-V186 HydrophobicContact CG1-CG2 3.74Å; V184-V186 HydrophobicContact CG1-CG2 4.15Å; V186-Y196 PolarHBondContact N-O 3.13Å; V186-Y196 PolarHBondContact O-N 2.96Å; V186-F213 HydrophobicContact CB-CD2 4.25Å; V186-F213 HydrophobicContact CG2-CD2 3.89Å; V186-F213 HydrophobicContact CG2-CE2 3.86Å; V186-F215 HydrophobicContact CB-CZ 4.45Å; V186-F215 HydrophobicContact CG1-CE2 3.86Å; V186-F215 HydrophobicContact CG1-CZ 3.88Å; V186-L227 HydrophobicContact CG1-CD1 3.76Å; V186-V228 WeakPolarHBondContact CA-O 3.32Å; V186-M229 HydrophobicContact CG1-CG 4.22Å; V186-M229 HydrophobicContact CG2-CG 4.39Å
187F93.5Very high86.6Confident11 Ų1151.7 Ų51.75%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-153157.9179.357.2-86.6000112.4L189 K192 K194 K195 V228F187-L189 HydrophobicContact CD2-CD2 4.32Å; F187-L189 HydrophobicContact CE2-CD2 4Å; F187-L189 HydrophobicContact CE2-CG 4.28Å; F187-K192 HydrophobicContact CE2-CG 4.49Å; F187-K194 WeakPolarHBondContact CB-O 3.23Å; F187-K195 HydrophobicContact CB-CG 4.07Å; F187-K195 HydrophobicContact CD1-CG 4.47Å; F187-K195 HydrophobicContact CG-CG 4.42Å; F187-V228 HydrophobicContact CD1-CB 4.47Å; F187-V228 HydrophobicContact CD2-CB 4.06Å; F187-V228 HydrophobicContact CD2-CG2 4.23Å; F187-V228 HydrophobicContact CE1-CB 4.09Å; F187-V228 HydrophobicContact CE1-CG1 4.04Å; F187-V228 HydrophobicContact CE2-CB 3.64Å; F187-V228 HydrophobicContact CE2-CG1 4.03Å; F187-V228 HydrophobicContact CE2-CG2 3.75Å; F187-V228 HydrophobicContact CG-CB 4.45Å; F187-V228 HydrophobicContact CZ-CB 3.65Å; F187-V228 HydrophobicContact CZ-CG1 3.58Å; F187-V228 HydrophobicContact CZ-CG2 4.19Å; F187-V228 PolarHBondContact N-O 3.11Å; F187-V228 VanDerWaalsContact N-O 3.07Å; F187-V228 PolarHBondContact O-N 2.74Å
188L92Very high87.9Confident8 Ų849.1 Ų49.14%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-104.9117.9177.6-75.6167.5000110.5L161 D191 F215 V217 K225 T226 L227 M250L161-L188 HydrophobicContact CD2-CD1 4.22Å; L161-L188 HydrophobicContact CD2-CD2 4.05Å; L188-D191 CarbonylContact O-C 3.56Å; L188-D191 WeakPolarHBondContact O-CA 3.48Å; L188-D191 PolarHBondContact O-N 2.85Å; L188-D191 VanDerWaalsContact O-O 3.13Å; L188-F215 HydrophobicContact CD1-CB 3.66Å; L188-F215 HydrophobicContact CD1-CD1 3.58Å; L188-F215 HydrophobicContact CD1-CD2 4.37Å; L188-F215 HydrophobicContact CD1-CE1 4.28Å; L188-F215 HydrophobicContact CD1-CG 3.63Å; L188-F215 HydrophobicContact CG-CD1 4.01Å; L188-F215 HydrophobicContact CG-CE1 4.2Å; L188-F215 HydrophobicContact CG-CG 4.27Å; L188-V217 HydrophobicContact CD1-CG2 3.85Å; L188-K225 HydrophobicContact CD2-CB 4.39Å; L188-T226 CarbonylContact C-O 3.32Å; L188-T226 WeakPolarHBondContact CA-O 3.26Å; L188-L227 HydrophobicContact CD2-CB 3.94Å; L188-L227 HydrophobicContact CD2-CD1 3.95Å; L188-L227 HydrophobicContact CG-CD1 4.25Å; L188-M250 HydrophobicContact CD2-CG 4.34Å; L188-M250 HydrophobicContact CD2-SD 4.12Å
189L88.3Confident88.7Confident48 Ų4853.1 Ų53.125%0.25125%0.251SS..EExtended strand (participates in β ladder)trans-70.9142.5165.3-65.5175.5000109.9F187 K192 K225 T226 V228F187-L189 HydrophobicContact CD2-CD2 4.32Å; F187-L189 HydrophobicContact CE2-CD2 4Å; F187-L189 HydrophobicContact CE2-CG 4.28Å; L189-K192 HydrophobicContact CD2-CD 4.35Å; L189-K192 HydrophobicContact CD2-CG 3.67Å; L189-K225 VanDerWaalsContact O-CA 3.27Å; L189-K225 WeakPolarHBondContact O-CA 3.4Å; L189-K225 VanDerWaalsContact O-CB 3.3Å; L189-K225 WeakPolarHBondContact O-CB 3.32Å; L189-T226 PolarHBondContact N-O 3Å; L189-T226 PolarHBondContact O-N 3.04Å; L189-T226 VanDerWaalsContact O-N 3.1Å; L189-V228 HydrophobicContact CD1-CG2 3.66Å; L189-V228 HydrophobicContact CG-CG2 3.74Å
190P79.9Confident89.1Confident106 Ų10654.2 Ų54.269%0.68826%0.257SS*.SBendcis-83-5.94.332.6-36.2000115.7K192P190-K192 VanDerWaalsContact C-N 3.34Å; P190-K192 PolarHBondContact O-N 3.38Å
191D76.3Confident89.3Confident61 Ų6156.6 Ų56.633%0.32627%0.268SS..  trans-78.973.1-177.5-172.816.9000113.6L188 K193L188-D191 CarbonylContact O-C 3.56Å; L188-D191 WeakPolarHBondContact O-CA 3.48Å; L188-D191 PolarHBondContact O-N 2.85Å; L188-D191 VanDerWaalsContact O-O 3.13Å; D191-K193 PolarHBondContact O-N 2.66Å; D191-K193 VanDerWaalsContact OD1-CB 3.26Å; D191-K193 WeakPolarHBondContact OD1-CB 3.01Å; D191-K193 WeakPolarHBondContact OD1-CG 3.49Å; D191-K193 PolarHBondContact OD1-N 2.64Å
192K72.2Confident89.3Confident96 Ų9664.4 Ų64.442%0.41730%0.296SS..THydrogen-bonded Turntrans-58.5-4172.8-76.9-163.5170.2-160.70115F187 L189 P190 K195 E271F187-K192 HydrophobicContact CE2-CG 4.49Å; L189-K192 HydrophobicContact CD2-CD 4.35Å; L189-K192 HydrophobicContact CD2-CG 3.67Å; P190-K192 VanDerWaalsContact C-N 3.34Å; P190-K192 PolarHBondContact O-N 3.38Å; K192-K195 WeakPolarHBondContact O-CE 3.36Å; K192-K195 WeakPolarHBondContact O-CG 3.17Å; K192-E271 IonicContact NZ-OE1 2.75Å; K192-E271 PolarHBondContact NZ-OE1 3.01Å
193K70.5Confident89Confident192 Ų19271.6 Ų71.684%0.83533%0.328SS*.THydrogen-bonded Turntrans-80.3-36.6-177.8-57.9176.8179.6175.20113D191 K195D191-K193 PolarHBondContact O-N 2.66Å; D191-K193 VanDerWaalsContact OD1-CB 3.26Å; D191-K193 WeakPolarHBondContact OD1-CB 3.01Å; D191-K193 WeakPolarHBondContact OD1-CG 3.49Å; D191-K193 PolarHBondContact OD1-N 2.64Å; K193-K195 PolarHBondContact O-N 3.23Å
194K79.6Confident88.8Confident107 Ų10773 Ų7347%0.46534%0.337SS..  trans-88.490.2177.5-70.3175.8-175165.30109.6F187F187-K194 WeakPolarHBondContact CB-O 3.23Å
195K89.5Confident88.6Confident80 Ų8075.2 Ų75.235%0.34835%0.348SS..EExtended strand (participates in β ladder)trans-105.4130.8171.7-53.2-168.1177.8-1710109.4F187 K192 K193 E271F187-K195 HydrophobicContact CB-CG 4.07Å; F187-K195 HydrophobicContact CD1-CG 4.47Å; F187-K195 HydrophobicContact CG-CG 4.42Å; K192-K195 WeakPolarHBondContact O-CE 3.36Å; K192-K195 WeakPolarHBondContact O-CG 3.17Å; K193-K195 PolarHBondContact O-N 3.23Å; K195-E271 IonicContact NZ-OE1 3.35Å
196Y93.8Very high88.5Confident86 Ų8678.1 Ų78.134%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-103.8150.3164.7-64.5-95.6000108.5K185 V186 F213 T214 F215K185-Y196 CarbonylContact C-O 3.13Å; K185-Y196 WeakPolarHBondContact CA-O 3.29Å; V186-Y196 PolarHBondContact N-O 3.13Å; V186-Y196 PolarHBondContact O-N 2.96Å; Y196-F213 HydrophobicContact CD1-CB 4.25Å; Y196-F213 AromaticContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CE1 4.36Å; Y196-F213 HydrophobicContact CD1-CG 4.21Å; Y196-F213 HydrophobicContact CD2-CB 4.38Å; Y196-F213 HydrophobicContact CG-CB 4.06Å; Y196-F213 AromaticContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CG 4.01Å; Y196-T214 PolarHBondContact OH-O 3.09Å; Y196-F215 HydrophobicContact CD2-CD1 4.36Å; Y196-F215 AromaticContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE2 4.09Å; Y196-F215 AromaticContact CD2-CZ 3.46Å; Y196-F215 HydrophobicContact CD2-CZ 3.46Å; Y196-F215 VanDerWaalsContact CD2-CZ 3.46Å; Y196-F215 AromaticContact CE2-CD1 3.86Å; Y196-F215 HydrophobicContact CE2-CD1 3.86Å; Y196-F215 AromaticContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE2 4.29Å; Y196-F215 HydrophobicContact CE2-CG 4.36Å; Y196-F215 AromaticContact CE2-CZ 3.8Å; Y196-F215 HydrophobicContact CE2-CZ 3.8Å
197E94.6Very high88.5Confident91 Ų9178.2 Ų78.243%0.42537%0.366SS..EExtended strand (participates in β ladder)trans-132.1134.5178.4-49.5-161163.300108.5Y183 V184 K185Y183-E197 HydrophobicContact CD2-CB 4.28Å; Y183-E197 HydrophobicContact CE2-CB 4.14Å; Y183-E197 HydrophobicContact CE2-CG 4.45Å; Y183-E197 VanDerWaalsContact CE2-OE2 3.3Å; Y183-E197 WeakPolarHBondContact CE2-OE2 3.45Å; V184-E197 CarbonylContact O-C 3.58Å; V184-E197 WeakPolarHBondContact O-CA 3.39Å; K185-E197 WeakPolarHBondContact CD-OE1 3.33Å; K185-E197 WeakPolarHBondContact CE-OE1 3.34Å; K185-E197 HydrophobicContact CG-CG 4.04Å; K185-E197 VanDerWaalsContact NZ-CD 3.33Å; K185-E197 IonicContact NZ-OE1 2.64Å; K185-E197 PolarHBondContact NZ-OE1 3.03Å; K185-E197 IonicContact NZ-OE2 3.81Å; K185-E197 PolarHBondContact NZ-OE2 3.05Å
198T96.3Very high88.6Confident9 Ų980.9 Ų80.96%0.05538%0.383CS..PPolyproline II helixtrans-70.3167.5170.967.30000110.6I165 V184 F209 E211 F213I165-T198 HydrophobicContact CB-CG2 4.22Å; I165-T198 HydrophobicContact CG1-CG2 4.4Å; I165-T198 HydrophobicContact CG2-CG2 4.13Å; V184-T198 HydrophobicContact CB-CG2 3.92Å; V184-T198 HydrophobicContact CG2-CG2 4.37Å; V184-T198 PolarHBondContact N-OG1 3.26Å; V184-T198 PolarHBondContact O-N 3.24Å; T198-F209 HydrophobicContact CG2-CB 4.4Å; T198-F209 HydrophobicContact CG2-CD1 4.1Å; T198-F209 HydrophobicContact CG2-CG 4.25Å; T198-F209 WeakPolarHBondContact OG1-CD1 3.33Å; T198-F209 WeakPolarHBondContact OG1-CE1 3.49Å; T198-E211 VanDerWaalsContact CA-OE1 3.28Å; T198-E211 WeakPolarHBondContact CA-OE1 3.47Å; T198-E211 VanDerWaalsContact CB-OE1 3.28Å; T198-E211 WeakPolarHBondContact CB-OE1 3.18Å; T198-F213 HydrophobicContact CG2-CE2 3.9Å; T198-F213 HydrophobicContact CG2-CZ 3.88Å
199K94.7Very high88.8Confident135 Ų13581.1 Ų81.159%0.58738%0.384SS*.PPolyproline II helixtrans-57.4152.6162.2-64.7160.6-172.41230110.2Y183 H201 E211Y183-K199 WeakPolarHBondContact CB-O 3.44Å; K199-H201 PolarHBondContact O-CD2 2.89Å; K199-E211 VanDerWaalsContact CE-OE2 3.3Å; K199-E211 WeakPolarHBondContact CE-OE2 3.43Å; K199-E211 WeakPolarHBondContact CG-OE1 3.01Å; K199-E211 PolarHBondContact N-OE1 2.65Å; K199-E211 IonicContact NZ-OE2 2.69Å; K199-E211 PolarHBondContact NZ-OE2 2.86Å
200V94.5Very high89.1Confident53 Ų5384.3 Ų84.332%0.32140%0.401SS..PPolyproline II helixtrans-84.8117.6173.6174.90000109.2D181 Y183 F234D181-V200 HydrophobicContact CB-CG1 3.93Å; Y183-V200 HydrophobicContact CD1-CG2 4.23Å; Y183-V200 HydrophobicContact CG-CG2 4.11Å; V200-F234 HydrophobicContact CB-CB 4.37Å; V200-F234 HydrophobicContact CB-CG 4.46Å; V200-F234 HydrophobicContact CG1-CB 3.52Å; V200-F234 HydrophobicContact CG1-CD1 4.07Å; V200-F234 HydrophobicContact CG1-CG 3.8Å; V200-F234 HydrophobicContact CG2-CB 3.87Å; V200-F234 HydrophobicContact CG2-CD2 3.83Å; V200-F234 HydrophobicContact CG2-CG 3.85Å
201H92.4Very high89.9Confident50 Ų5080.7 Ų80.723%0.23138%0.375CS..  trans-95.6112.7176.8-76.5-109.1000109.1D181 P182 K199 T204 P207 V208 F209D181-H201 CarbonylContact C-O 3.59Å; D181-H201 WeakPolarHBondContact CA-O 3.44Å; P182-H201 WeakPolarHBondContact CD-O 3.47Å; P182-H201 PolarHBondContact O-N 3.47Å; K199-H201 PolarHBondContact O-CD2 2.89Å; H201-T204 HydrophobicContact CB-CG2 3.85Å; H201-P207 HydrophobicContact CB-CB 3.82Å; H201-V208 PolarHBondContact CE1-O 3.2Å; H201-V208 PolarHBondContact ND1-O 2.93Å; H201-F209 AromaticContact CD2-CD1 3.39Å; H201-F209 WeakPolarHBondContact CD2-CD1 3.37Å; H201-F209 AromaticContact CD2-CE1 3.56Å; H201-F209 AromaticContact NE2-CD1 3.65Å
202R90.5Very high90.8Very high181 Ų18183.8 Ų83.868%0.68339%0.388SS*.THydrogen-bonded Turntrans-77.8141.3-172.1-63.4-150.8171.2112.78.8113.9D181 T204D181-R202 WeakPolarHBondContact OD1-CA 3.38Å; D181-R202 WeakPolarHBondContact OD1-CB 3.35Å; D181-R202 WeakPolarHBondContact OD2-CD 3.2Å; D181-R202 WeakPolarHBondContact OD2-CG 3.28Å; D181-R202 IonicContact OD2-NE 2.87Å; D181-R202 PolarHBondContact OD2-NE 3.4Å; R202-T204 PolarHBondContact O-N 2.85Å
203K88.8Confident91.9Very high152 Ų15280.2 Ų80.266%0.66137%0.372SS*.THydrogen-bonded Turntrans50.947.6169.8-60.4-167.6174.4-167.90114.4T179 S180 D181T179-K203 HydrophobicContact CG2-CB 4.13Å; S180-K203 CarbonylContact O-C 3.53Å; S180-K203 WeakPolarHBondContact O-CA 3.27Å; S180-K203 PolarHBondContact O-N 2.92Å; D181-K203 PolarHBondContact OD1-N 2.74Å
204T92.1Very high93Very high35 Ų3573.4 Ų73.422%0.21535%0.347CS..  trans-138.2142.1178.1-177.80000111.6S180 P182 H201 R202 N206 P207S180-T204 PolarHBondContact O-N 2.86Å; P182-T204 WeakPolarHBondContact CD-O 3.47Å; P182-T204 HydrophobicContact CG-CG2 4.1Å; P182-T204 VanDerWaalsContact CG-O 3.28Å; P182-T204 WeakPolarHBondContact CG-O 3.4Å; H201-T204 HydrophobicContact CB-CG2 3.85Å; R202-T204 PolarHBondContact O-N 2.85Å; T204-N206 VanDerWaalsContact OG1-C 3.28Å; T204-N206 PolarHBondContact OG1-N 2.91Å; T204-N206 PolarHBondContact OG1-O 2.79Å; T204-P207 HydrophobicContact CG2-CB 3.83Å
205L90.8Very high93.7Very high47 Ų4768.5 Ų68.525%0.24633%0.326CS..SBendtrans-100.3-1.6171.3-54.5-177.7000112.1L171 A173L171-L205 HydrophobicContact CB-CB 4.46Å; L171-L205 WeakPolarHBondContact CB-O 3.15Å; L171-L205 WeakPolarHBondContact CG-O 3.32Å; L171-L205 PolarHBondContact N-O 2.86Å; L171-L205 VanDerWaalsContact N-O 3.1Å; L171-L205 WeakPolarHBondContact O-CB 3.38Å; A173-L205 HydrophobicContact CB-CD1 4.17Å; A173-L205 HydrophobicContact CB-CD2 3.98Å
206N93.4Very high93.8Very high93 Ų9371.8 Ų71.850%0.49734%0.34SS..SBendtrans-135.571.4176.9-51.3-80.4000109.1A168 A169 E170 T204A168-N206 CarbonylContact O-C 3.56Å; A168-N206 WeakPolarHBondContact O-CA 3.29Å; A169-N206 VanDerWaalsContact CA-OD1 3.22Å; A169-N206 WeakPolarHBondContact CA-OD1 3.42Å; E170-N206 PolarHBondContact N-OD1 3.39Å; T204-N206 VanDerWaalsContact OG1-C 3.28Å; T204-N206 PolarHBondContact OG1-N 2.91Å; T204-N206 PolarHBondContact OG1-O 2.79Å
207P94.6Very high93.6Very high1 Ų168.3 Ų68.31%0.00633%0.327CS..  trans-74.6137-179.830.9-36.3000111.9Q167 A168 L171 P182 H201 T204 F209Q167-P207 CarbonylContact C-O 3.6Å; Q167-P207 WeakPolarHBondContact CA-O 3.33Å; Q167-P207 VanDerWaalsContact CB-O 3.28Å; Q167-P207 WeakPolarHBondContact CB-O 3.39Å; A168-P207 HydrophobicContact CB-CG 3.95Å; A168-P207 PolarHBondContact N-O 3.21Å; A168-P207 WeakPolarHBondContact O-CD 3.45Å; L171-P207 HydrophobicContact CD1-CG 3.91Å; P182-P207 HydrophobicContact CB-CG 4.17Å; P182-P207 HydrophobicContact CG-CB 3.92Å; P182-P207 HydrophobicContact CG-CG 3.65Å; H201-P207 HydrophobicContact CB-CB 3.82Å; T204-P207 HydrophobicContact CG2-CB 3.83Å; P207-F209 HydrophobicContact CB-CD2 4.46Å; P207-F209 HydrophobicContact CB-CE1 3.97Å; P207-F209 HydrophobicContact CB-CE2 3.81Å; P207-F209 HydrophobicContact CB-CZ 3.53Å; P207-F209 HydrophobicContact CG-CD2 4.48Å; P207-F209 HydrophobicContact CG-CE1 4.33Å; P207-F209 HydrophobicContact CG-CE2 3.51Å; P207-F209 HydrophobicContact CG-CZ 3.42Å; P207-F209 VanDerWaalsContact CG-CZ 3.42Å
208V96.4Very high93.4Very high67 Ų6766.4 Ų66.441%0.40632%0.323SS..EExtended strand (participates in β ladder)trans-108.3107.5170.8-178.70000108.1Q167 H201 N210Q167-V208 HydrophobicContact CB-CB 4.36Å; Q167-V208 HydrophobicContact CB-CG1 4.48Å; Q167-V208 HydrophobicContact CB-CG2 4.08Å; H201-V208 PolarHBondContact CE1-O 3.2Å; H201-V208 PolarHBondContact ND1-O 2.93Å; V208-N210 WeakPolarHBondContact CG1-ND2 3.26Å
209F95.4Very high93Very high13 Ų1371.6 Ų71.66%0.05734%0.342CS..EExtended strand (participates in β ladder)trans-89.2-52.2-174.4-58.4-76.8000111.5I165 I166 A168 V184 T198 H201 P207 E211I165-F209 HydrophobicContact CG2-CB 4.23Å; I165-F209 HydrophobicContact CG2-CD2 3.71Å; I165-F209 HydrophobicContact CG2-CE2 4.38Å; I165-F209 HydrophobicContact CG2-CG 4.16Å; I166-F209 PolarHBondContact O-N 3.18Å; A168-F209 HydrophobicContact CB-CE2 4.35Å; V184-F209 HydrophobicContact CG2-CD2 4.22Å; V184-F209 HydrophobicContact CG2-CE1 4.4Å; V184-F209 HydrophobicContact CG2-CE2 3.59Å; V184-F209 HydrophobicContact CG2-CZ 3.7Å; T198-F209 HydrophobicContact CG2-CB 4.4Å; T198-F209 HydrophobicContact CG2-CD1 4.1Å; T198-F209 HydrophobicContact CG2-CG 4.25Å; T198-F209 WeakPolarHBondContact OG1-CD1 3.33Å; T198-F209 WeakPolarHBondContact OG1-CE1 3.49Å; H201-F209 AromaticContact CD2-CD1 3.39Å; H201-F209 WeakPolarHBondContact CD2-CD1 3.37Å; H201-F209 AromaticContact CD2-CE1 3.56Å; H201-F209 AromaticContact NE2-CD1 3.65Å; P207-F209 HydrophobicContact CB-CD2 4.46Å; P207-F209 HydrophobicContact CB-CE1 3.97Å; P207-F209 HydrophobicContact CB-CE2 3.81Å; P207-F209 HydrophobicContact CB-CZ 3.53Å; P207-F209 HydrophobicContact CG-CD2 4.48Å; P207-F209 HydrophobicContact CG-CE1 4.33Å; P207-F209 HydrophobicContact CG-CE2 3.51Å; P207-F209 HydrophobicContact CG-CZ 3.42Å; P207-F209 VanDerWaalsContact CG-CZ 3.42Å; F209-E211 VanDerWaalsContact C-N 3.32Å; F209-E211 HydrophobicContact CB-CG 4.45Å; F209-E211 WeakPolarHBondContact O-CG 3.48Å; F209-E211 PolarHBondContact O-N 2.81Å
210N95.1Very high92.8Very high116 Ų11670.7 Ų70.762%0.6235%0.353SS*.EExtended strand (participates in β ladder)trans47.549.8-172-66.3-28.3000113.2I165 I166 V208I165-N210 WeakPolarHBondContact O-CA 3.21Å; I165-N210 PolarHBondContact O-N 2.92Å; I165-N210 VanDerWaalsContact O-N 3.12Å; I166-N210 PolarHBondContact O-N 3.43Å; I166-N210 PolarHBondContact O-OD1 2.97Å; V208-N210 WeakPolarHBondContact CG1-ND2 3.26Å
211E95.9Very high92.5Very high30 Ų3073 Ų7314%0.1436%0.36CS..EExtended strand (participates in β ladder)trans-114.7138.2178.8-58.1-160.6-98.600111.2I165 T198 K199 F209 F213I165-E211 PolarHBondContact N-O 2.94Å; I165-E211 PolarHBondContact O-N 2.86Å; T198-E211 VanDerWaalsContact CA-OE1 3.28Å; T198-E211 WeakPolarHBondContact CA-OE1 3.47Å; T198-E211 VanDerWaalsContact CB-OE1 3.28Å; T198-E211 WeakPolarHBondContact CB-OE1 3.18Å; K199-E211 VanDerWaalsContact CE-OE2 3.3Å; K199-E211 WeakPolarHBondContact CE-OE2 3.43Å; K199-E211 WeakPolarHBondContact CG-OE1 3.01Å; K199-E211 PolarHBondContact N-OE1 2.65Å; K199-E211 IonicContact NZ-OE2 2.69Å; K199-E211 PolarHBondContact NZ-OE2 2.86Å; F209-E211 VanDerWaalsContact C-N 3.32Å; F209-E211 HydrophobicContact CB-CG 4.45Å; F209-E211 WeakPolarHBondContact O-CG 3.48Å; F209-E211 PolarHBondContact O-N 2.81Å; E211-F213 HydrophobicContact CB-CE2 4.46Å; E211-F213 HydrophobicContact CB-CZ 4.1Å
212Q95.4Very high92.3Very high125 Ų12570.7 Ų70.758%0.58435%0.35SS*.EExtended strand (participates in β ladder)trans-117.1132.1-178.4-164.7-179.62300110.6V163V163-Q212 WeakPolarHBondContact O-CA 3.33Å
213F95.4Very high92.1Very high22 Ų2264.1 Ų64.110%0.09634%0.338CS..EExtended strand (participates in β ladder)trans-116.7149.7179.8-54.4-64000110.8V163 I165 V186 Y196 T198 E211 F215V163-F213 PolarHBondContact N-O 2.97Å; V163-F213 PolarHBondContact O-N 3.04Å; I165-F213 HydrophobicContact CG1-CD2 4.17Å; I165-F213 HydrophobicContact CG1-CE2 3.86Å; V186-F213 HydrophobicContact CB-CD2 4.25Å; V186-F213 HydrophobicContact CG2-CD2 3.89Å; V186-F213 HydrophobicContact CG2-CE2 3.86Å; Y196-F213 HydrophobicContact CD1-CB 4.25Å; Y196-F213 AromaticContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CD1 3.63Å; Y196-F213 HydrophobicContact CD1-CE1 4.36Å; Y196-F213 HydrophobicContact CD1-CG 4.21Å; Y196-F213 HydrophobicContact CD2-CB 4.38Å; Y196-F213 HydrophobicContact CG-CB 4.06Å; Y196-F213 AromaticContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CD1 3.81Å; Y196-F213 HydrophobicContact CG-CG 4.01Å; T198-F213 HydrophobicContact CG2-CE2 3.9Å; T198-F213 HydrophobicContact CG2-CZ 3.88Å; E211-F213 HydrophobicContact CB-CE2 4.46Å; E211-F213 HydrophobicContact CB-CZ 4.1Å; F213-F215 HydrophobicContact CB-CE2 4.36Å
214T94.4Very high92Very high49 Ų4960.2 Ų60.230%0.30134%0.341SS..EExtended strand (participates in β ladder)trans-128.5109.1-171.9-48.90000111Q160 L161 L162 Y196Q160-T214 HydrophobicContact CB-CG2 3.65Å; Q160-T214 HydrophobicContact CG-CG2 4.37Å; L161-T214 CarbonylContact O-C 3.51Å; L161-T214 WeakPolarHBondContact O-CA 3.36Å; L162-T214 HydrophobicContact CD2-CG2 3.77Å; L162-T214 WeakPolarHBondContact CD2-OG1 3.19Å; Y196-T214 PolarHBondContact OH-O 3.09Å
215F93.1Very high92Very high4 Ų460.1 Ų60.12%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-97.3109.3179-66.5-94.3000110.6Q160 L161 V163 V186 L188 Y196 F213 V217 L227Q160-F215 WeakPolarHBondContact CA-O 3.41Å; L161-F215 HydrophobicContact CB-CB 4.29Å; L161-F215 PolarHBondContact N-O 3.34Å; L161-F215 PolarHBondContact O-N 2.89Å; V163-F215 HydrophobicContact CB-CE2 4.4Å; V163-F215 HydrophobicContact CG2-CD2 3.93Å; V163-F215 HydrophobicContact CG2-CE2 3.93Å; V186-F215 HydrophobicContact CB-CZ 4.45Å; V186-F215 HydrophobicContact CG1-CE2 3.86Å; V186-F215 HydrophobicContact CG1-CZ 3.88Å; L188-F215 HydrophobicContact CD1-CB 3.66Å; L188-F215 HydrophobicContact CD1-CD1 3.58Å; L188-F215 HydrophobicContact CD1-CD2 4.37Å; L188-F215 HydrophobicContact CD1-CE1 4.28Å; L188-F215 HydrophobicContact CD1-CG 3.63Å; L188-F215 HydrophobicContact CG-CD1 4.01Å; L188-F215 HydrophobicContact CG-CE1 4.2Å; L188-F215 HydrophobicContact CG-CG 4.27Å; Y196-F215 HydrophobicContact CD2-CD1 4.36Å; Y196-F215 AromaticContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE1 3.62Å; Y196-F215 HydrophobicContact CD2-CE2 4.09Å; Y196-F215 AromaticContact CD2-CZ 3.46Å; Y196-F215 HydrophobicContact CD2-CZ 3.46Å; Y196-F215 VanDerWaalsContact CD2-CZ 3.46Å; Y196-F215 AromaticContact CE2-CD1 3.86Å; Y196-F215 HydrophobicContact CE2-CD1 3.86Å; Y196-F215 AromaticContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE1 3.56Å; Y196-F215 HydrophobicContact CE2-CE2 4.29Å; Y196-F215 HydrophobicContact CE2-CG 4.36Å; Y196-F215 AromaticContact CE2-CZ 3.8Å; Y196-F215 HydrophobicContact CE2-CZ 3.8Å; F213-F215 HydrophobicContact CB-CE2 4.36Å; F215-V217 HydrophobicContact CB-CG2 4.28Å; F215-V217 PolarHBondContact O-N 2.92Å; F215-L227 HydrophobicContact CE2-CD1 4.27Å
216K91.6Very high92.1Very high148 Ų14860 Ų6064%0.64334%0.339SS*.EExtended strand (participates in β ladder)trans-68.5101.5172.8-56.1-162.9176.1-169.40110Q160Q160-K216 HydrophobicContact CG-CG 4.08Å; Q160-K216 VanDerWaalsContact OE1-CE 3.3Å
217V89.9Confident92.2Very high13 Ų1355.6 Ų55.68%0.07932%0.315CS..  trans-149121.6-172.6168.70000108.7Y154 N159 L188 F215 E221 L222 K225Y154-V217 WeakPolarHBondContact CE2-O 3.43Å; Y154-V217 PolarHBondContact OH-O 2.92Å; N159-V217 CarbonylContact O-C 3.53Å; N159-V217 PolarHBondContact O-N 2.88Å; N159-V217 VanDerWaalsContact O-O 3.1Å; L188-V217 HydrophobicContact CD1-CG2 3.85Å; F215-V217 HydrophobicContact CB-CG2 4.28Å; F215-V217 PolarHBondContact O-N 2.92Å; V217-E221 HydrophobicContact CG1-CB 4.46Å; V217-L222 HydrophobicContact CG1-CB 4.34Å; V217-L222 HydrophobicContact CG1-CD1 4.11Å; V217-K225 HydrophobicContact CG1-CD 4Å; V217-K225 HydrophobicContact CG2-CD 4.46Å
218P90.9Very high92.1Very high51 Ų5155.6 Ų55.633%0.33132%0.315SS..  trans-63.2141.4173.5-20.933.2000112.1S220 E221 L222P218-S220 PolarHBondContact O-N 2.83Å; P218-E221 PolarHBondContact O-N 2.98Å; P218-L222 PolarHBondContact O-N 3.49Å
219Y88.8Confident92.1Very high119 Ų11952.4 Ų52.447%0.46730%0.296SS..Hα-helixtrans-57.1-35.7-178.5-172.8-100.9000112.8Y154 F156 E221 L222 F255Y154-Y219 AromaticContact CD1-CD2 3.94Å; Y154-Y219 HydrophobicContact CD1-CD2 3.94Å; Y154-Y219 AromaticContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CD2 3.9Å; Y154-Y219 HydrophobicContact CE1-CG 4.31Å; Y154-Y219 HydrophobicContact CG-CD2 4.35Å; Y154-Y219 PolarHBondContact OH-N 3.06Å; F156-Y219 HydrophobicContact CD1-CD2 4.45Å; F156-Y219 AromaticContact CE1-CD2 3.66Å; F156-Y219 HydrophobicContact CE1-CD2 3.66Å; F156-Y219 AromaticContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CE2 3.72Å; F156-Y219 HydrophobicContact CE1-CG 4.13Å; F156-Y219 HydrophobicContact CZ-CD2 4.31Å; F156-Y219 HydrophobicContact CZ-CE2 4.04Å; Y219-E221 PolarHBondContact O-N 2.96Å; Y219-L222 HydrophobicContact CD2-CD2 4.11Å; Y219-L222 HydrophobicContact CE2-CD2 4.46Å; Y219-L222 VanDerWaalsContact O-CB 3.31Å; Y219-L222 WeakPolarHBondContact O-CB 3.49Å; Y219-L222 PolarHBondContact O-N 3.4Å; Y219-F255 HydrophobicContact CE2-CB 4.45Å; Y219-F255 HydrophobicContact CE2-CD2 4.13Å
220S89.3Confident92Very high115 Ų11551.8 Ų51.880%0.80429%0.293SS*.Hα-helixtrans-62.5-25.7175.550.90000114.4P218P218-S220 PolarHBondContact O-N 2.83Å
221E88.3Confident92Very high102 Ų10246.3 Ų46.348%0.47726%0.264SS..Hα-helixtrans-90.7-16.6172.7-67.5-171.9-146.600113.2V217 P218 Y219 G224 K225V217-E221 HydrophobicContact CG1-CB 4.46Å; P218-E221 PolarHBondContact O-N 2.98Å; Y219-E221 PolarHBondContact O-N 2.96Å; E221-G224 PolarHBondContact O-N 3.22Å; E221-K225 WeakPolarHBondContact O-CE 3.34Å; E221-K225 IonicContact OE2-NZ 2.84Å; E221-K225 PolarHBondContact OE2-NZ 3.03Å
222L88.1Confident91.9Very high2 Ų246.3 Ų46.31%0.0126%0.263CS..Hα-helixtrans-65.8-45.3-165.1-175.459.2000111.9Y154 L161 V217 P218 Y219 G224 K225 M250 F255Y154-L222 HydrophobicContact CD2-CD2 3.63Å; Y154-L222 HydrophobicContact CE2-CD2 3.89Å; Y154-L222 HydrophobicContact CG-CD2 4.35Å; L161-L222 HydrophobicContact CD2-CD1 4.31Å; V217-L222 HydrophobicContact CG1-CB 4.34Å; V217-L222 HydrophobicContact CG1-CD1 4.11Å; P218-L222 PolarHBondContact O-N 3.49Å; Y219-L222 HydrophobicContact CD2-CD2 4.11Å; Y219-L222 HydrophobicContact CE2-CD2 4.46Å; Y219-L222 VanDerWaalsContact O-CB 3.31Å; Y219-L222 WeakPolarHBondContact O-CB 3.49Å; Y219-L222 PolarHBondContact O-N 3.4Å; L222-G224 PolarHBondContact O-N 2.67Å; L222-K225 WeakPolarHBondContact O-CB 3.47Å; L222-K225 PolarHBondContact O-N 3.35Å; L222-M250 HydrophobicContact CD1-CB 3.99Å; L222-M250 HydrophobicContact CD1-CG 3.85Å; L222-M250 HydrophobicContact CD1-SD 3.98Å; L222-M250 HydrophobicContact CG-CB 3.96Å; L222-M250 HydrophobicContact CG-CG 4.39Å; L222-M250 WeakPolarHBondContact O-CB 3.47Å; L222-F255 HydrophobicContact CD2-CD2 4.03Å; L222-F255 HydrophobicContact CD2-CE1 4.48Å; L222-F255 HydrophobicContact CD2-CE2 3.55Å; L222-F255 HydrophobicContact CD2-CZ 3.81Å; L222-F255 HydrophobicContact CG-CE2 4.24Å; L222-F255 HydrophobicContact CG-CZ 4.48Å
223G86Confident91.7Very high43 Ų4340.8 Ų40.844%0.44324%0.237SC..THydrogen-bonded Turntrans-62.4-11.6179.700000115.6
224G87.3Confident91.5Very high69 Ų6942.4 Ų42.471%0.71124%0.244SC*.THydrogen-bonded Turntrans-94.78.517200000114.5E221 L222E221-G224 PolarHBondContact O-N 3.22Å; L222-G224 PolarHBondContact O-N 2.67Å
225K91.5Very high91Very high34 Ų3442.5 Ų42.515%0.14824%0.243CC..  trans-119.3157.4-175.5-56.3-174.8-153.5-59.60111.9L188 L189 V217 E221 L222 M250L188-K225 HydrophobicContact CD2-CB 4.39Å; L189-K225 VanDerWaalsContact O-CA 3.27Å; L189-K225 WeakPolarHBondContact O-CA 3.4Å; L189-K225 VanDerWaalsContact O-CB 3.3Å; L189-K225 WeakPolarHBondContact O-CB 3.32Å; V217-K225 HydrophobicContact CG1-CD 4Å; V217-K225 HydrophobicContact CG2-CD 4.46Å; E221-K225 WeakPolarHBondContact O-CE 3.34Å; E221-K225 IonicContact OE2-NZ 2.84Å; E221-K225 PolarHBondContact OE2-NZ 3.03Å; L222-K225 WeakPolarHBondContact O-CB 3.47Å; L222-K225 PolarHBondContact O-N 3.35Å; K225-M250 HydrophobicContact CB-CG 4.4Å; K225-M250 WeakPolarHBondContact O-CB 3.15Å; K225-M250 WeakPolarHBondContact O-CG 3.44Å; K225-M250 PolarHBondContact O-N 2.97Å
226T93.9Very high90.3Very high44 Ų4451.5 Ų51.527%0.2728%0.277SS..EExtended strand (participates in β ladder)trans-126.6120.7176.8-54.10000108.9L188 L189 K247 V248L188-T226 CarbonylContact C-O 3.32Å; L188-T226 WeakPolarHBondContact CA-O 3.26Å; L189-T226 PolarHBondContact N-O 3Å; L189-T226 PolarHBondContact O-N 3.04Å; L189-T226 VanDerWaalsContact O-N 3.1Å; T226-K247 HydrophobicContact CG2-CB 4.14Å; T226-V248 CarbonylContact C-O 3.5Å; T226-V248 VanDerWaalsContact CA-O 3.3Å; T226-V248 WeakPolarHBondContact CA-O 3.47Å; T226-V248 WeakPolarHBondContact CG2-O 3.34Å
227L94.2Very high89.4Confident0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-74.8133.7171.5-178.369.8000109.4L152 V163 V186 L188 F215 M229 K247 V248 M250L152-L227 HydrophobicContact CD1-CD2 4.47Å; L152-L227 HydrophobicContact CD2-CD2 3.4Å; L152-L227 VanDerWaalsContact CD2-CD2 3.4Å; V163-L227 HydrophobicContact CG1-CD2 3.85Å; V163-L227 HydrophobicContact CG2-CD1 4.06Å; V163-L227 HydrophobicContact CG2-CD2 3.89Å; V186-L227 HydrophobicContact CG1-CD1 3.76Å; L188-L227 HydrophobicContact CD2-CB 3.94Å; L188-L227 HydrophobicContact CD2-CD1 3.95Å; L188-L227 HydrophobicContact CG-CD1 4.25Å; F215-L227 HydrophobicContact CE2-CD1 4.27Å; L227-M229 HydrophobicContact CD2-CE 4.05Å; L227-M229 HydrophobicContact CD2-CG 4.46Å; L227-M229 HydrophobicContact CD2-SD 4.16Å; L227-M229 HydrophobicContact CG-CG 4.42Å; L227-K247 CarbonylContact O-C 3.56Å; L227-K247 WeakPolarHBondContact O-CA 3.34Å; L227-V248 HydrophobicContact CB-CB 4.39Å; L227-V248 PolarHBondContact N-O 2.89Å; L227-V248 PolarHBondContact O-N 3.09Å; L227-M250 HydrophobicContact CB-CE 3.63Å; L227-M250 HydrophobicContact CB-SD 3.94Å; L227-M250 HydrophobicContact CD2-CE 4.37Å
228V94.1Very high88.6Confident1 Ų156 Ų561%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-120.6127.5175.4-1700000108.7V186 F187 L189 E245 K247V186-V228 WeakPolarHBondContact CA-O 3.32Å; F187-V228 HydrophobicContact CD1-CB 4.47Å; F187-V228 HydrophobicContact CD2-CB 4.06Å; F187-V228 HydrophobicContact CD2-CG2 4.23Å; F187-V228 HydrophobicContact CE1-CB 4.09Å; F187-V228 HydrophobicContact CE1-CG1 4.04Å; F187-V228 HydrophobicContact CE2-CB 3.64Å; F187-V228 HydrophobicContact CE2-CG1 4.03Å; F187-V228 HydrophobicContact CE2-CG2 3.75Å; F187-V228 HydrophobicContact CG-CB 4.45Å; F187-V228 HydrophobicContact CZ-CB 3.65Å; F187-V228 HydrophobicContact CZ-CG1 3.58Å; F187-V228 HydrophobicContact CZ-CG2 4.19Å; F187-V228 PolarHBondContact N-O 3.11Å; F187-V228 VanDerWaalsContact N-O 3.07Å; F187-V228 PolarHBondContact O-N 2.74Å; L189-V228 HydrophobicContact CD1-CG2 3.66Å; L189-V228 HydrophobicContact CG-CG2 3.74Å; V228-E245 HydrophobicContact CG1-CB 4.48Å; V228-E245 WeakPolarHBondContact CG1-OE2 3.43Å; V228-K247 HydrophobicContact CG1-CG 4.19Å; V228-K247 HydrophobicContact CG2-CG 4.21Å
229M95.1Very high87.9Confident0 Ų062.1 Ų62.10%033%0.326CS..EExtended strand (participates in β ladder)trans-118.4103.8174-68170.8-71.600107.1I148 Y150 V163 I165 V184 V186 L227 E245 Y246 V248I148-M229 HydrophobicContact CD1-CB 4.33Å; Y150-M229 HydrophobicContact CD1-CE 3.44Å; Y150-M229 VanDerWaalsContact CD1-CE 3.44Å; Y150-M229 HydrophobicContact CD1-SD 4.02Å; Y150-M229 HydrophobicContact CD2-CE 4.2Å; Y150-M229 HydrophobicContact CE1-CE 3.7Å; Y150-M229 HydrophobicContact CE2-CE 4.46Å; Y150-M229 HydrophobicContact CG-CE 3.71Å; Y150-M229 HydrophobicContact CG-SD 3.91Å; V163-M229 HydrophobicContact CG1-SD 4.34Å; I165-M229 HydrophobicContact CD1-CG 3.95Å; I165-M229 HydrophobicContact CD1-SD 3.52Å; I165-M229 VanDerWaalsContact CD1-SD 3.52Å; V184-M229 HydrophobicContact CG1-CB 4.27Å; V186-M229 HydrophobicContact CG1-CG 4.22Å; V186-M229 HydrophobicContact CG2-CG 4.39Å; L227-M229 HydrophobicContact CD2-CE 4.05Å; L227-M229 HydrophobicContact CD2-CG 4.46Å; L227-M229 HydrophobicContact CD2-SD 4.16Å; L227-M229 HydrophobicContact CG-CG 4.42Å; M229-E245 CarbonylContact O-C 3.47Å; M229-E245 WeakPolarHBondContact O-CA 3.25Å; M229-Y246 HydrophobicContact CE-CD1 4.05Å; M229-Y246 PolarHBondContact N-O 2.87Å; M229-Y246 PolarHBondContact O-N 3.37Å; M229-V248 HydrophobicContact CE-CG2 4.08Å
230A94.4Very high87.8Confident1 Ų159 Ų591%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-109.5119.6-17600000109.9V184 K185 Y232 I242 E245V184-A230 WeakPolarHBondContact CA-O 3.49Å; K185-A230 PolarHBondContact N-O 3.04Å; K185-A230 PolarHBondContact O-N 3.24Å; A230-Y232 HydrophobicContact CB-CD2 4.34Å; A230-Y232 HydrophobicContact CB-CE2 3.7Å; A230-Y232 WeakPolarHBondContact O-CD2 3.05Å; A230-I242 HydrophobicContact CB-CD1 4.11Å; A230-E245 HydrophobicContact CB-CB 3.98Å
231V94.8Very high87.6Confident0 Ų058 Ų580%030%0.301CS..EExtended strand (participates in β ladder)trans-90.8126.4179.9-1700000108.9I148 L171 P182 Y183 V184 I243 G244 L265I148-V231 HydrophobicContact CD1-CG2 4.17Å; L171-V231 HydrophobicContact CD1-CG1 4.22Å; L171-V231 HydrophobicContact CD2-CG1 4.44Å; P182-V231 HydrophobicContact CB-CG1 4.44Å; Y183-V231 WeakPolarHBondContact O-CA 2.98Å; V184-V231 HydrophobicContact CG1-CG2 4.44Å; V184-V231 HydrophobicContact CG2-CG2 4.15Å; V231-I243 HydrophobicContact CB-CB 4.38Å; V231-I243 HydrophobicContact CG1-CB 4.34Å; V231-I243 HydrophobicContact CG1-CD1 4.21Å; V231-I243 PolarHBondContact O-N 2.92Å; V231-G244 PolarHBondContact N-O 3.33Å; V231-G244 PolarHBondContact O-N 3.17Å; V231-L265 HydrophobicContact CB-CD1 4.24Å; V231-L265 HydrophobicContact CG2-CD1 3.73Å; V231-L265 HydrophobicContact CG2-CD2 3.82Å; V231-L265 HydrophobicContact CG2-CG 4.47Å
232Y93.6Very high87.6Confident31 Ų3156.1 Ų56.112%0.12229%0.294CS..EExtended strand (participates in β ladder)trans-119.8152.2179.1-72.1-100000110.4P182 Y183 K185 A230 H240 D241 I242P182-Y232 CarbonylContact C-O 3.5Å; P182-Y232 WeakPolarHBondContact CA-O 3.41Å; Y183-Y232 WeakPolarHBondContact CD1-O 3.21Å; Y183-Y232 HydrophobicContact CE1-CG 4.48Å; Y183-Y232 PolarHBondContact N-O 2.86Å; Y183-Y232 PolarHBondContact O-N 3.24Å; K185-Y232 HydrophobicContact CB-CD2 4.37Å; K185-Y232 HydrophobicContact CB-CE2 4.1Å; K185-Y232 HydrophobicContact CD-CD2 3.78Å; K185-Y232 HydrophobicContact CD-CE2 3.39Å; K185-Y232 HydrophobicContact CG-CD2 3.72Å; K185-Y232 HydrophobicContact CG-CE2 3.71Å; A230-Y232 HydrophobicContact CB-CD2 4.34Å; A230-Y232 HydrophobicContact CB-CE2 3.7Å; A230-Y232 WeakPolarHBondContact O-CD2 3.05Å; Y232-H240 HydrophobicContact CD1-CB 4.41Å; Y232-D241 CarbonylContact C-O 3.59Å; Y232-D241 VanDerWaalsContact CA-O 3.28Å; Y232-D241 WeakPolarHBondContact CA-O 3.14Å; Y232-I242 HydrophobicContact CD1-CB 3.96Å; Y232-I242 HydrophobicContact CD1-CG1 4.39Å; Y232-I242 HydrophobicContact CE1-CB 3.83Å; Y232-I242 HydrophobicContact CE1-CD1 4.13Å; Y232-I242 HydrophobicContact CE1-CG1 4.2Å; Y232-I242 HydrophobicContact CE2-CD1 4.11Å; Y232-I242 HydrophobicContact CE2-CG1 4.48Å
233D92.3Very high87.8Confident8 Ų856.4 Ų56.44%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-90.5131165.1-158.7-8000110L174 S180 D181 D235 H240 D241 I243L174-D233 WeakPolarHBondContact CB-OD2 3.44Å; L174-D233 HydrophobicContact CD1-CB 4.18Å; S180-D233 WeakPolarHBondContact CA-OD2 3.38Å; S180-D233 VanDerWaalsContact CB-CG 3.44Å; S180-D233 WeakPolarHBondContact CB-OD1 3.5Å; S180-D233 WeakPolarHBondContact CB-OD2 3.39Å; S180-D233 PolarHBondContact OG-OD2 3.38Å; D181-D233 WeakPolarHBondContact CA-OD1 3.49Å; D181-D233 PolarHBondContact N-OD1 2.87Å; D233-D235 PolarHBondContact O-N 3.47Å; D233-H240 WeakPolarHBondContact O-CA 3.43Å; D233-H240 VanDerWaalsContact O-CB 3.22Å; D233-H240 WeakPolarHBondContact O-CB 3.31Å; D233-D241 PolarHBondContact N-O 3.41Å; D233-I243 HydrophobicContact CB-CD1 4.09Å; D233-I243 HydrophobicContact CB-CG1 4.34Å
234F90.3Very high88.1Confident56 Ų5654.4 Ų54.425%0.24628%0.275CS..  trans-83.5104.8178.9176.8-91.2000110.8D181 Y183 V200 R236 H240D181-F234 HydrophobicContact CB-CB 4.04Å; D181-F234 VanDerWaalsContact O-CB 3.28Å; D181-F234 WeakPolarHBondContact O-CB 3.27Å; D181-F234 PolarHBondContact O-N 3.45Å; Y183-F234 HydrophobicContact CD1-CB 4.13Å; Y183-F234 HydrophobicContact CE1-CB 4.27Å; V200-F234 HydrophobicContact CB-CB 4.37Å; V200-F234 HydrophobicContact CB-CG 4.46Å; V200-F234 HydrophobicContact CG1-CB 3.52Å; V200-F234 HydrophobicContact CG1-CD1 4.07Å; V200-F234 HydrophobicContact CG1-CG 3.8Å; V200-F234 HydrophobicContact CG2-CB 3.87Å; V200-F234 HydrophobicContact CG2-CD2 3.83Å; V200-F234 HydrophobicContact CG2-CG 3.85Å; F234-R236 HydrophobicContact CE1-CB 4.33Å; F234-H240 AromaticContact CD2-CE1 3.33Å; F234-H240 WeakPolarHBondContact CD2-CE1 3.38Å; F234-H240 AromaticContact CD2-NE2 3.56Å; F234-H240 AromaticContact CE2-CE1 3.56Å; F234-H240 AromaticContact CE2-NE2 3.55Å
235D84.4Confident88.4Confident51 Ų5152 Ų5227%0.27325%0.245SC..  trans-101.2122.7176-164-31.5000112D233 F237 S238 H240D233-D235 PolarHBondContact O-N 3.47Å; D235-F237 VanDerWaalsContact C-N 3.33Å; D235-F237 PolarHBondContact O-N 2.88Å; D235-F237 PolarHBondContact OD1-N 3.33Å; D235-S238 PolarHBondContact OD1-N 3.49Å; D235-S238 PolarHBondContact OD1-OG 3.26Å; D235-S238 WeakPolarHBondContact OD2-CB 3.44Å; D235-S238 PolarHBondContact OD2-OG 2.9Å; D235-H240 PolarHBondContact O-CD2 3.25Å
236R78.8Confident88.5Confident193 Ų19351.8 Ų51.873%0.72824%0.243SC*.SBendtrans-71.5-22.9-176.4-172.4172.8-175.2-175.82.9114.1F234F234-R236 HydrophobicContact CE1-CB 4.33Å
237F71.6Confident88.5Confident181 Ų18152.9 Ų52.979%0.79425%0.245SC*.SBendtrans-1313.3-173.2-58.8-69.1000114.1D235D235-F237 VanDerWaalsContact C-N 3.33Å; D235-F237 PolarHBondContact O-N 2.88Å; D235-F237 PolarHBondContact OD1-N 3.33Å
238S73.1Confident88.5Confident74 Ų7453.1 Ų53.152%0.51725%0.246SC..SBendtrans-123.8-174.7177.8-40.90000111.1D235D235-S238 PolarHBondContact OD1-N 3.49Å; D235-S238 PolarHBondContact OD1-OG 3.26Å; D235-S238 WeakPolarHBondContact OD2-CB 3.44Å; D235-S238 PolarHBondContact OD2-OG 2.9Å
239K76.6Confident88.5Confident180 Ų18054.6 Ų54.678%0.78326%0.259SS*.PPolyproline II helixtrans-72.5139.2158.6-177.1-176.4175.9-176.10108D241K239-D241 PolarHBondContact O-N 2.93Å
240H85.8Confident88.3Confident53 Ų5354.8 Ų54.825%0.24526%0.259CS..PPolyproline II helixtrans-62.6123.1172.3-59.5-177.6000109.6Y183 Y232 D233 F234 D235Y183-H240 AromaticContact CE1-ND1 3.55Å; Y183-H240 AromaticContact CZ-ND1 3.63Å; Y183-H240 PolarHBondContact OH-ND1 2.91Å; Y232-H240 HydrophobicContact CD1-CB 4.41Å; D233-H240 WeakPolarHBondContact O-CA 3.43Å; D233-H240 VanDerWaalsContact O-CB 3.22Å; D233-H240 WeakPolarHBondContact O-CB 3.31Å; F234-H240 AromaticContact CD2-CE1 3.33Å; F234-H240 WeakPolarHBondContact CD2-CE1 3.38Å; F234-H240 AromaticContact CD2-NE2 3.56Å; F234-H240 AromaticContact CE2-CE1 3.56Å; F234-H240 AromaticContact CE2-NE2 3.55Å; D235-H240 PolarHBondContact O-CD2 3.25Å
241D84.7Confident88Confident94 Ų9460.1 Ų60.150%0.50329%0.288SS..PPolyproline II helixtrans-79.5148177-81-36.5000110.8L174 Y232 D233 K239L174-D241 HydrophobicContact CD1-CB 3.88Å; Y232-D241 CarbonylContact C-O 3.59Å; Y232-D241 VanDerWaalsContact CA-O 3.28Å; Y232-D241 WeakPolarHBondContact CA-O 3.14Å; D233-D241 PolarHBondContact N-O 3.41Å; K239-D241 PolarHBondContact O-N 2.93Å
242I90.2Very high87.7Confident64 Ų6465.4 Ų65.433%0.32832%0.32SS..EExtended strand (participates in β ladder)trans-92.4120.7175.8-172.4159.5000108.8A230 Y232 A268A230-I242 HydrophobicContact CB-CD1 4.11Å; Y232-I242 HydrophobicContact CD1-CB 3.96Å; Y232-I242 HydrophobicContact CD1-CG1 4.39Å; Y232-I242 HydrophobicContact CE1-CB 3.83Å; Y232-I242 HydrophobicContact CE1-CD1 4.13Å; Y232-I242 HydrophobicContact CE1-CG1 4.2Å; Y232-I242 HydrophobicContact CE2-CD1 4.11Å; Y232-I242 HydrophobicContact CE2-CG1 4.48Å; I242-A268 HydrophobicContact CD1-CB 3.32Å; I242-A268 HydrophobicContact CG1-CB 3.8Å; I242-A268 HydrophobicContact CG2-CB 4.2Å
243I90.9Very high87.5Confident7 Ų764.9 Ų64.94%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-75.5-43.9178.2-72.2167.3000109.6L145 L171 P172 L174 P182 V231 D233L145-I243 WeakPolarHBondContact O-CG2 3.35Å; L171-I243 HydrophobicContact CD2-CG2 4.13Å; P172-I243 HydrophobicContact CG-CG2 3.73Å; L174-I243 HydrophobicContact CD1-CG1 3.82Å; L174-I243 HydrophobicContact CG-CG1 4.49Å; P182-I243 HydrophobicContact CB-CD1 4.38Å; V231-I243 HydrophobicContact CB-CB 4.38Å; V231-I243 HydrophobicContact CG1-CB 4.34Å; V231-I243 HydrophobicContact CG1-CD1 4.21Å; V231-I243 PolarHBondContact O-N 2.92Å; D233-I243 HydrophobicContact CB-CD1 4.09Å; D233-I243 HydrophobicContact CB-CG1 4.34Å
244G92Very high87.3Confident1 Ų169.1 Ų69.11%0.0134%0.343CS..EExtended strand (participates in β ladder)trans174.5170177.400000111.4V231 Q266V231-G244 PolarHBondContact N-O 3.33Å; V231-G244 PolarHBondContact O-N 3.17Å; G244-Q266 CarbonylContact C-O 3.51Å; G244-Q266 VanDerWaalsContact CA-O 3.26Å; G244-Q266 WeakPolarHBondContact CA-O 3.47Å
245E93.9Very high87.1Confident18 Ų1866.8 Ų66.88%0.08433%0.333CS..EExtended strand (participates in β ladder)trans-131.7158.9174.873.4-175.6153.100111.6V228 M229 A230 K247 Q266 A268 E269V228-E245 HydrophobicContact CG1-CB 4.48Å; V228-E245 WeakPolarHBondContact CG1-OE2 3.43Å; M229-E245 CarbonylContact O-C 3.47Å; M229-E245 WeakPolarHBondContact O-CA 3.25Å; A230-E245 HydrophobicContact CB-CB 3.98Å; E245-K247 VanDerWaalsContact CD-NZ 3.32Å; E245-K247 VanDerWaalsContact OE1-CE 3.22Å; E245-K247 WeakPolarHBondContact OE1-CE 3.22Å; E245-K247 IonicContact OE1-NZ 3.74Å; E245-K247 PolarHBondContact OE1-NZ 3.33Å; E245-K247 VanDerWaalsContact OE2-CE 3.25Å; E245-K247 WeakPolarHBondContact OE2-CE 3.49Å; E245-K247 IonicContact OE2-NZ 2.65Å; E245-Q266 PolarHBondContact N-O 2.56Å; E245-Q266 WeakPolarHBondContact O-CB 3.49Å; E245-Q266 PolarHBondContact O-N 3.33Å; E245-A268 HydrophobicContact CB-CB 4.12Å; E245-A268 HydrophobicContact CG-CB 3.78Å; E245-A268 WeakPolarHBondContact OE1-CA 3.22Å; E245-E269 PolarHBondContact OE1-N 2.84Å
246Y94.3Very high87Confident30 Ų3066.9 Ų66.912%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-134.5137.8167.5178.8-104.4000109.9Y150 M229 V248 R263Y150-Y246 AromaticContact CE1-CD1 3.79Å; Y150-Y246 HydrophobicContact CE1-CD1 3.79Å; Y150-Y246 AromaticContact CE1-CE1 3.59Å; Y150-Y246 HydrophobicContact CE1-CE1 3.59Å; Y150-Y246 AromaticContact CZ-CE1 3.84Å; Y150-Y246 WeakPolarHBondContact OH-CE1 3.27Å; M229-Y246 HydrophobicContact CE-CD1 4.05Å; M229-Y246 PolarHBondContact N-O 2.87Å; M229-Y246 PolarHBondContact O-N 3.37Å; Y246-V248 HydrophobicContact CD1-CG2 3.94Å; Y246-V248 HydrophobicContact CE1-CG2 3.28Å; Y246-R263 HydrophobicContact CD1-CB 3.96Å; Y246-R263 HydrophobicContact CD1-CG 4.19Å; Y246-R263 HydrophobicContact CD2-CB 4.08Å; Y246-R263 HydrophobicContact CE1-CB 3.85Å; Y246-R263 HydrophobicContact CE1-CG 3.55Å; Y246-R263 HydrophobicContact CE2-CB 3.98Å; Y246-R263 HydrophobicContact CE2-CG 3.96Å; Y246-R263 HydrophobicContact CG-CB 4.08Å; Y246-R263 VanDerWaalsContact CZ-CG 3.43Å; Y246-R263 WeakPolarHBondContact OH-CD 3.16Å; Y246-R263 PolarHBondContact OH-NE 3.37Å
247K94.1Very high87.3Confident67 Ų6764.3 Ų64.329%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-119.9118.8-169.9-66.81711761410109.3T226 L227 V228 E245 E269T226-K247 HydrophobicContact CG2-CB 4.14Å; L227-K247 CarbonylContact O-C 3.56Å; L227-K247 WeakPolarHBondContact O-CA 3.34Å; V228-K247 HydrophobicContact CG1-CG 4.19Å; V228-K247 HydrophobicContact CG2-CG 4.21Å; E245-K247 VanDerWaalsContact CD-NZ 3.32Å; E245-K247 VanDerWaalsContact OE1-CE 3.22Å; E245-K247 WeakPolarHBondContact OE1-CE 3.22Å; E245-K247 IonicContact OE1-NZ 3.74Å; E245-K247 PolarHBondContact OE1-NZ 3.33Å; E245-K247 VanDerWaalsContact OE2-CE 3.25Å; E245-K247 WeakPolarHBondContact OE2-CE 3.49Å; E245-K247 IonicContact OE2-NZ 2.65Å; K247-E269 IonicContact NZ-OE2 3.08Å; K247-E269 PolarHBondContact NZ-OE2 3.28Å
248V93.4Very high88.1Confident6 Ų660 Ų604%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-107.5116.4175.2-176.30000109.3L152 T226 L227 M229 Y246 M250 V253L152-V248 HydrophobicContact CD1-CG1 4.15Å; T226-V248 CarbonylContact C-O 3.5Å; T226-V248 VanDerWaalsContact CA-O 3.3Å; T226-V248 WeakPolarHBondContact CA-O 3.47Å; T226-V248 WeakPolarHBondContact CG2-O 3.34Å; L227-V248 HydrophobicContact CB-CB 4.39Å; L227-V248 PolarHBondContact N-O 2.89Å; L227-V248 PolarHBondContact O-N 3.09Å; M229-V248 HydrophobicContact CE-CG2 4.08Å; Y246-V248 HydrophobicContact CD1-CG2 3.94Å; Y246-V248 HydrophobicContact CE1-CG2 3.28Å; V248-M250 HydrophobicContact CB-CE 3.86Å; V248-M250 HydrophobicContact CG1-CE 3.5Å; V248-M250 PolarHBondContact O-N 3.19Å; V248-V253 HydrophobicContact CG1-CG2 3.41Å; V248-V253 VanDerWaalsContact CG1-CG2 3.41Å
249A93.5Very high88.9Confident32 Ų3258.1 Ų58.126%0.26432%0.315SS..EExtended strand (participates in β ladder)trans-74.8122.5169.800000108.6N251 T252A249-N251 WeakPolarHBondContact CB-OD1 3.2Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.1Å; A249-T252 PolarHBondContact O-N 2.68Å; A249-T252 PolarHBondContact O-OG1 3.21Å; A249-T252 VanDerWaalsContact O-OG1 3.08Å
250M91.6Very high89.8Confident4 Ų455 Ų552%0.0230%0.303CS..G310 helixtrans-72-8.6-169.6-55.8-84.178.100113.1L152 L161 L188 L222 K225 L227 V248 T252 V253 F255L152-M250 HydrophobicContact CD1-CE 3.97Å; L161-M250 HydrophobicContact CD1-SD 4.28Å; L161-M250 HydrophobicContact CD2-SD 3.71Å; L188-M250 HydrophobicContact CD2-CG 4.34Å; L188-M250 HydrophobicContact CD2-SD 4.12Å; L222-M250 HydrophobicContact CD1-CB 3.99Å; L222-M250 HydrophobicContact CD1-CG 3.85Å; L222-M250 HydrophobicContact CD1-SD 3.98Å; L222-M250 HydrophobicContact CG-CB 3.96Å; L222-M250 HydrophobicContact CG-CG 4.39Å; L222-M250 WeakPolarHBondContact O-CB 3.47Å; K225-M250 HydrophobicContact CB-CG 4.4Å; K225-M250 WeakPolarHBondContact O-CB 3.15Å; K225-M250 WeakPolarHBondContact O-CG 3.44Å; K225-M250 PolarHBondContact O-N 2.97Å; L227-M250 HydrophobicContact CB-CE 3.63Å; L227-M250 HydrophobicContact CB-SD 3.94Å; L227-M250 HydrophobicContact CD2-CE 4.37Å; V248-M250 HydrophobicContact CB-CE 3.86Å; V248-M250 HydrophobicContact CG1-CE 3.5Å; V248-M250 PolarHBondContact O-N 3.19Å; M250-T252 VanDerWaalsContact C-N 3.33Å; M250-V253 HydrophobicContact CE-CG2 4.12Å; M250-F255 HydrophobicContact CE-CZ 4.46Å; M250-F255 WeakPolarHBondContact O-CE2 3.24Å; M250-F255 HydrophobicContact SD-CZ 4.18Å
251N89.3Confident90.1Very high113 Ų11354.8 Ų54.860%0.60430%0.303SS*.G310 helixtrans-79-9.717165.2-25.6000114.1A249A249-N251 WeakPolarHBondContact CB-OD1 3.2Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.1Å
252T88.6Confident90.6Very high111 Ų11155.1 Ų55.168%0.68130%0.297SS*.G310 helixtrans-103.14.8176.470.90000113.8A249 M250A249-T252 PolarHBondContact O-N 2.68Å; A249-T252 PolarHBondContact O-OG1 3.21Å; A249-T252 VanDerWaalsContact O-OG1 3.08Å; M250-T252 VanDerWaalsContact C-N 3.33Å
253V88.6Confident90.9Very high20 Ų2056 Ų5612%0.12130%0.296CS..  trans-103.3128-179.5-177.70000109.2L152 V248 M250 F255L152-V253 HydrophobicContact CD1-CG1 4.25Å; L152-V253 HydrophobicContact CD1-CG2 4.02Å; V248-V253 HydrophobicContact CG1-CG2 3.41Å; V248-V253 VanDerWaalsContact CG1-CG2 3.41Å; M250-V253 HydrophobicContact CE-CG2 4.12Å; V253-F255 HydrophobicContact CB-CD2 4.44Å; V253-F255 HydrophobicContact CB-CE1 4.22Å; V253-F255 HydrophobicContact CB-CE2 3.85Å; V253-F255 HydrophobicContact CB-CZ 3.73Å; V253-F255 HydrophobicContact CG1-CD1 4Å; V253-F255 HydrophobicContact CG1-CD2 4.41Å; V253-F255 HydrophobicContact CG1-CE1 3.64Å; V253-F255 HydrophobicContact CG1-CE2 4.09Å; V253-F255 HydrophobicContact CG1-CG 4.38Å; V253-F255 HydrophobicContact CG1-CZ 3.7Å; V253-F255 HydrophobicContact CG2-CZ 4.45Å; V253-F255 PolarHBondContact O-N 2.89Å
254D86.9Confident91.1Very high97 Ų9760.2 Ų60.252%0.51932%0.319SS..  trans-81.4110.616717727.8000109.3G256 H257 T259D254-G256 VanDerWaalsContact C-N 3.28Å; D254-G256 PolarHBondContact OD1-N 2.64Å; D254-H257 IonicContact OD2-ND1 2.69Å; D254-H257 PolarHBondContact OD2-ND1 2.87Å; D254-T259 PolarHBondContact O-OG1 2.98Å
255F87.3Confident91.1Very high7 Ų760.7 Ų60.73%0.03132%0.321CS..THydrogen-bonded Turntrans-87.37.7174.9-62.8-74000113.2L152 F156 L161 Y219 L222 M250 V253 H257L152-F255 HydrophobicContact CB-CE1 4.42Å; F156-F255 WeakPolarHBondContact CE2-O 3.39Å; F156-F255 HydrophobicContact CZ-CB 4.1Å; L161-F255 HydrophobicContact CD1-CD1 4.36Å; L161-F255 HydrophobicContact CD1-CE1 3.45Å; L161-F255 VanDerWaalsContact CD1-CE1 3.45Å; L161-F255 HydrophobicContact CD1-CZ 3.86Å; Y219-F255 HydrophobicContact CE2-CB 4.45Å; Y219-F255 HydrophobicContact CE2-CD2 4.13Å; L222-F255 HydrophobicContact CD2-CD2 4.03Å; L222-F255 HydrophobicContact CD2-CE1 4.48Å; L222-F255 HydrophobicContact CD2-CE2 3.55Å; L222-F255 HydrophobicContact CD2-CZ 3.81Å; L222-F255 HydrophobicContact CG-CE2 4.24Å; L222-F255 HydrophobicContact CG-CZ 4.48Å; M250-F255 HydrophobicContact CE-CZ 4.46Å; M250-F255 WeakPolarHBondContact O-CE2 3.24Å; M250-F255 HydrophobicContact SD-CZ 4.18Å; V253-F255 HydrophobicContact CB-CD2 4.44Å; V253-F255 HydrophobicContact CB-CE1 4.22Å; V253-F255 HydrophobicContact CB-CE2 3.85Å; V253-F255 HydrophobicContact CB-CZ 3.73Å; V253-F255 HydrophobicContact CG1-CD1 4Å; V253-F255 HydrophobicContact CG1-CD2 4.41Å; V253-F255 HydrophobicContact CG1-CE1 3.64Å; V253-F255 HydrophobicContact CG1-CE2 4.09Å; V253-F255 HydrophobicContact CG1-CG 4.38Å; V253-F255 HydrophobicContact CG1-CZ 3.7Å; V253-F255 HydrophobicContact CG2-CZ 4.45Å; V253-F255 PolarHBondContact O-N 2.89Å; F255-H257 PolarHBondContact O-N 3.43Å
256G81.6Confident91Very high53 Ų5365.3 Ų65.355%0.54634%0.343SS..THydrogen-bonded Turntrans-67.5-17.2167.500000113.6D254D254-G256 VanDerWaalsContact C-N 3.28Å; D254-G256 PolarHBondContact OD1-N 2.64Å
257H85.3Confident90.5Very high138 Ų13868.1 Ų68.164%0.63937%0.367SS*.SBendtrans-141.7155.4179-5691.6000110.6D254 F255 T259D254-H257 IonicContact OD2-ND1 2.69Å; D254-H257 PolarHBondContact OD2-ND1 2.87Å; F255-H257 PolarHBondContact O-N 3.43Å; H257-T259 PolarHBondContact O-N 2.84Å; H257-T259 VanDerWaalsContact O-N 3.14Å
258V88.4Confident89.7Confident92 Ų9265.6 Ų65.656%0.55836%0.358SS*.  trans-65.6114.4170.5-177.30000108.8D153D153-V258 HydrophobicContact CB-CG1 4.42Å; D153-V258 HydrophobicContact CB-CG2 4.15Å
259T90.7Very high88.4Confident33 Ų3372.4 Ų72.420%0.20239%0.39CS..EExtended strand (participates in β ladder)trans-87.4107.9176.5-66.80000108.7S151 L152 D254 H257 E261S151-T259 CarbonylContact C-O 3.56Å; S151-T259 VanDerWaalsContact CA-O 3.25Å; S151-T259 WeakPolarHBondContact CA-O 3.39Å; L152-T259 PolarHBondContact N-O 2.91Å; L152-T259 PolarHBondContact O-N 2.84Å; D254-T259 PolarHBondContact O-OG1 2.98Å; H257-T259 PolarHBondContact O-N 2.84Å; H257-T259 VanDerWaalsContact O-N 3.14Å; T259-E261 HydrophobicContact CG2-CG 4.18Å
260E94.2Very high86.6Confident114 Ų11480 Ų8053%0.53342%0.417SS..EExtended strand (participates in β ladder)trans-117.7126.3172-170.9-173.1130.300110.5Q149 Y150 I166Q149-E260 PolarHBondContact NE2-OE1 3.01Å; Y150-E260 WeakPolarHBondContact O-CA 3.27Å; Y150-E260 WeakPolarHBondContact O-CG 3.21Å; I166-E260 VanDerWaalsContact CD1-CD 3.43Å; I166-E260 HydrophobicContact CD1-CG 3.63Å
261E93.3Very high84.9Confident49 Ų4984.6 Ų84.623%0.22944%0.438CS..EExtended strand (participates in β ladder)trans-159.2159.2-173.553.7-177.7-171.100114.6Q149 Y150 T259 R263Q149-E261 WeakPolarHBondContact CA-O 3.09Å; Y150-E261 HydrophobicContact CE1-CG 4.42Å; Y150-E261 HydrophobicContact CE2-CG 3.72Å; Y150-E261 PolarHBondContact N-O 2.81Å; Y150-E261 PolarHBondContact O-N 2.91Å; Y150-E261 PolarHBondContact OH-OE1 2.99Å; T259-E261 HydrophobicContact CG2-CG 4.18Å; E261-R263 IonicContact OE1-CZ 3.67Å; E261-R263 IonicContact OE1-NH1 2.89Å; E261-R263 IonicContact OE1-NH2 2.74Å; E261-R263 PolarHBondContact OE1-NH2 3.01Å; E261-R263 IonicContact OE2-CZ 3.91Å; E261-R263 IonicContact OE2-NH1 2.68Å; E261-R263 PolarHBondContact OE2-NH1 2.84Å; E261-R263 IonicContact OE2-NH2 3Å; E261-R263 PolarHBondContact OE2-NH2 3.1Å
262W95.8Very high83.1Confident102 Ų10285.5 Ų85.539%0.38644%0.439SS..EExtended strand (participates in β ladder)trans-92.1142.3169.9-78.492.5000111.2K147 I148 Q149 Q167 A169K147-W262 HydrophobicContact CB-CE3 3.71Å; K147-W262 HydrophobicContact CB-CZ3 3.9Å; I148-W262 WeakPolarHBondContact O-CA 3.29Å; Q149-W262 HydrophobicContact CB-CD2 3.73Å; Q149-W262 HydrophobicContact CB-CE3 3.9Å; Q149-W262 HydrophobicContact CB-CG 4.29Å; Q149-W262 HydrophobicContact CB-CH2 4.13Å; Q149-W262 HydrophobicContact CB-CZ2 3.94Å; Q149-W262 HydrophobicContact CB-CZ3 4.09Å; Q149-W262 HydrophobicContact CG-CD2 4.19Å; Q149-W262 HydrophobicContact CG-CG 4.34Å; Q149-W262 HydrophobicContact CG-CZ2 4.46Å; Q149-W262 VanDerWaalsContact OE1-CE2 3.25Å; Q167-W262 HydrophobicContact CG-CH2 3.82Å; Q167-W262 HydrophobicContact CG-CZ2 3.99Å; A169-W262 HydrophobicContact CB-CH2 3.7Å; A169-W262 HydrophobicContact CB-CZ3 3.8Å
263R95.1Very high81.6Confident82 Ų8285.6 Ų85.631%0.30943%0.431SS..EExtended strand (participates in β ladder)trans-142.4141.5173.7-73-66.4-168-74.9-7.1112.5K147 I148 Y150 Y246 E261K147-R263 CarbonylContact C-O 3.51Å; K147-R263 VanDerWaalsContact CA-O 3.24Å; K147-R263 WeakPolarHBondContact CA-O 3.43Å; I148-R263 PolarHBondContact N-O 3.16Å; I148-R263 PolarHBondContact O-N 2.82Å; Y150-R263 HydrophobicContact CE1-CB 4.12Å; Y150-R263 HydrophobicContact CE1-CG 3.81Å; Y246-R263 HydrophobicContact CD1-CB 3.96Å; Y246-R263 HydrophobicContact CD1-CG 4.19Å; Y246-R263 HydrophobicContact CD2-CB 4.08Å; Y246-R263 HydrophobicContact CE1-CB 3.85Å; Y246-R263 HydrophobicContact CE1-CG 3.55Å; Y246-R263 HydrophobicContact CE2-CB 3.98Å; Y246-R263 HydrophobicContact CE2-CG 3.96Å; Y246-R263 HydrophobicContact CG-CB 4.08Å; Y246-R263 VanDerWaalsContact CZ-CG 3.43Å; Y246-R263 WeakPolarHBondContact OH-CD 3.16Å; Y246-R263 PolarHBondContact OH-NE 3.37Å; E261-R263 IonicContact OE1-CZ 3.67Å; E261-R263 IonicContact OE1-NH1 2.89Å; E261-R263 IonicContact OE1-NH2 2.74Å; E261-R263 PolarHBondContact OE1-NH2 3.01Å; E261-R263 IonicContact OE2-CZ 3.91Å; E261-R263 IonicContact OE2-NH1 2.68Å; E261-R263 PolarHBondContact OE2-NH1 2.84Å; E261-R263 IonicContact OE2-NH2 3Å; E261-R263 PolarHBondContact OE2-NH2 3.1Å
264D94.5Very high80.5Confident95 Ų9591 Ų9151%0.50846%0.455SS..EExtended strand (participates in β ladder)trans-69.8135.7172.1-70.1-95.4000111K147K147-D264 IonicContact NZ-OD1 3.42Å; K147-D264 PolarHBondContact NZ-OD1 3.3Å; K147-D264 IonicContact NZ-OD2 2.67Å; K147-D264 PolarHBondContact NZ-OD2 2.87Å
265L93.3Very high80.1Confident12 Ų1292.7 Ų92.76%0.06346%0.458CS..PPolyproline II helixtrans-77.2135.9176.7-68.6169.4000110.1L145 G146 I148 L171 V231L145-L265 HydrophobicContact CB-CB 4.06Å; L145-L265 WeakPolarHBondContact O-CD1 3.35Å; G146-L265 PolarHBondContact O-N 2.85Å; I148-L265 HydrophobicContact CB-CD2 4.15Å; I148-L265 HydrophobicContact CG2-CD2 3.73Å; I148-L265 HydrophobicContact CG2-CG 4.34Å; L171-L265 HydrophobicContact CD2-CD1 3.63Å; V231-L265 HydrophobicContact CB-CD1 4.24Å; V231-L265 HydrophobicContact CG2-CD1 3.73Å; V231-L265 HydrophobicContact CG2-CD2 3.82Å; V231-L265 HydrophobicContact CG2-CG 4.47Å
266Q91.4Very high80.2Confident115 Ų11593.5 Ų93.554%0.53746%0.462SS..BIsolated β-bridgetrans-100.4153.3-179.9-60.3178.32.200110L145 G244 E245 A268L145-Q266 VanDerWaalsContact CD1-C 3.48Å; G244-Q266 CarbonylContact C-O 3.51Å; G244-Q266 VanDerWaalsContact CA-O 3.26Å; G244-Q266 WeakPolarHBondContact CA-O 3.47Å; E245-Q266 PolarHBondContact N-O 2.56Å; E245-Q266 WeakPolarHBondContact O-CB 3.49Å; E245-Q266 PolarHBondContact O-N 3.33Å; Q266-A268 PolarHBondContact O-N 2.61Å; Q266-A268 VanDerWaalsContact O-N 3.09Å
267S84.6Confident80.8Confident89 Ų8991.1 Ų91.162%0.62244%0.438SS*.PPolyproline II helixtrans-63.6116.2176.4-165.70000108.5L145 E269L145-S267 VanDerWaalsContact CD1-N 3.29Å; S267-E269 PolarHBondContact O-N 2.98Å
268A76.1Confident81.3Confident13 Ų1386.2 Ų86.211%0.10742%0.417CS..PPolyproline II helixtrans-66129.4-174.200000110.2I242 E245 Q266 K270I242-A268 HydrophobicContact CD1-CB 3.32Å; I242-A268 HydrophobicContact CG1-CB 3.8Å; I242-A268 HydrophobicContact CG2-CB 4.2Å; E245-A268 HydrophobicContact CB-CB 4.12Å; E245-A268 HydrophobicContact CG-CB 3.78Å; E245-A268 WeakPolarHBondContact OE1-CA 3.22Å; Q266-A268 PolarHBondContact O-N 2.61Å; Q266-A268 VanDerWaalsContact O-N 3.09Å; A268-K270 PolarHBondContact O-N 3.34Å
269E67Low81.7Confident150 Ų15081.8 Ų81.870%0.70139%0.39SS*.  trans-60.5108.4172.3-66.9172.4120.500106.9E245 K247 S267 E271E245-E269 PolarHBondContact OE1-N 2.84Å; K247-E269 IonicContact NZ-OE2 3.08Å; K247-E269 PolarHBondContact NZ-OE2 3.28Å; S267-E269 PolarHBondContact O-N 2.98Å; E269-E271 PolarHBondContact O-N 3Å
270K56.2Low82.1Confident191 Ų19180.7 Ų80.783%0.8338%0.384SS*.  trans-45.3108.6-172.9-74.4179.4178.7173.70109.5A268 E272A268-K270 PolarHBondContact O-N 3.34Å; K270-E272 PolarHBondContact O-N 2.92Å
271E54.5Low82.3Confident101 Ų10175.3 Ų75.347%0.47236%0.358SS..  trans-48.1107.8-170.3-178.9167.8-135.800108.7K192 K195 E269 Q273K192-E271 IonicContact NZ-OE1 2.75Å; K192-E271 PolarHBondContact NZ-OE1 3.01Å; K195-E271 IonicContact NZ-OE1 3.35Å; E269-E271 PolarHBondContact O-N 3Å; E271-Q273 PolarHBondContact O-N 3.5Å
272E53Low82.5Confident132 Ų13273.4 Ų73.462%0.61735%0.351SS*.  trans-51.8116.7-167.7-72.3-165.1123.500108.6K270 E274 K275K270-E272 PolarHBondContact O-N 2.92Å; E272-E274 PolarHBondContact O-N 3.49Å; E272-K275 VanDerWaalsContact OE1-CE 3.29Å; E272-K275 WeakPolarHBondContact OE1-CE 3.45Å; E272-K275 IonicContact OE1-NZ 3.65Å; E272-K275 PolarHBondContact OE1-NZ 3.27Å; E272-K275 WeakPolarHBondContact OE2-CE 3.38Å; E272-K275 IonicContact OE2-NZ 2.6Å; E272-K275 PolarHBondContact OE2-NZ 2.91Å
273Q56Low82.6Confident113 Ų11368.6 Ų68.653%0.52833%0.332SS..  trans-47.4117.4178.1-78.4170.3-6600107.4E271 K275 E415E271-Q273 PolarHBondContact O-N 3.5Å; Q273-K275 PolarHBondContact O-N 3.5Å; Q273-E415 PolarHBondContact NE2-OE1 2.76Å; Q273-E415 PolarHBondContact NE2-OE2 2.9Å
274E65.8Low82.7Confident134 Ų13468.6 Ų68.663%0.62633%0.332SS*.  trans-44.8109.6-164-69-172.5136.500110.3E272 L276 K303E272-E274 PolarHBondContact O-N 3.49Å; E274-L276 WeakPolarHBondContact O-CD2 3.48Å; E274-L276 VanDerWaalsContact O-CG 3.29Å; E274-L276 WeakPolarHBondContact O-CG 3.08Å; E274-L276 PolarHBondContact O-N 3.08Å; E274-K303 IonicContact OE2-NZ 2.66Å; E274-K303 PolarHBondContact OE2-NZ 3.33Å
275K78.6Confident82.8Confident132 Ų13264.1 Ų64.157%0.57431%0.308SS*.  trans-55.9102.6-165.3-79.2169.2173.5154.50110.5E272 Q273 G277E272-K275 VanDerWaalsContact OE1-CE 3.29Å; E272-K275 WeakPolarHBondContact OE1-CE 3.45Å; E272-K275 IonicContact OE1-NZ 3.65Å; E272-K275 PolarHBondContact OE1-NZ 3.27Å; E272-K275 WeakPolarHBondContact OE2-CE 3.38Å; E272-K275 IonicContact OE2-NZ 2.6Å; E272-K275 PolarHBondContact OE2-NZ 2.91Å; Q273-K275 PolarHBondContact O-N 3.5Å; K275-G277 PolarHBondContact O-N 2.86Å
276L90Very high83Confident23 Ų2364.5 Ų64.512%0.1231%0.311CS..  trans-71.3-14-174.2-58.3179.1000112.2E274 L302 K303 I376 L410 Q411 P412E274-L276 WeakPolarHBondContact O-CD2 3.48Å; E274-L276 VanDerWaalsContact O-CG 3.29Å; E274-L276 WeakPolarHBondContact O-CG 3.08Å; E274-L276 PolarHBondContact O-N 3.08Å; L276-L302 WeakPolarHBondContact O-CA 3.5Å; L276-K303 HydrophobicContact CD2-CB 4.33Å; L276-K303 HydrophobicContact CD2-CD 3.75Å; L276-K303 PolarHBondContact O-N 2.75Å; L276-K303 VanDerWaalsContact O-N 3.09Å; L276-I376 WeakPolarHBondContact CD2-O 3.37Å; L276-I376 WeakPolarHBondContact O-CG2 3.47Å; L276-L410 HydrophobicContact CB-CB 3.88Å; L276-Q411 VanDerWaalsContact CD1-C 3.44Å; L276-P412 HydrophobicContact CD1-CG 4.17Å
277G93.3Very high83Confident4 Ų461.2 Ų61.24%0.04130%0.3CS..  trans111.9174.4-179.800000112.4K275 K300 N301 L410K275-G277 PolarHBondContact O-N 2.86Å; G277-K300 WeakPolarHBondContact CA-O 3.5Å; G277-N301 WeakPolarHBondContact CA-O 3.29Å; G277-L410 VanDerWaalsContact O-CB 3.32Å; G277-L410 WeakPolarHBondContact O-CB 3.48Å; G277-L410 WeakPolarHBondContact O-CG 3.22Å; G277-L410 PolarHBondContact O-N 2.9Å
278D95.8Very high83.4Confident34 Ų3463.8 Ų63.818%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-114.2146.1173.9-53.7-55.5000110.1A299 K300 W407 H408 T409D278-A299 CarbonylContact O-C 3.55Å; D278-A299 WeakPolarHBondContact O-CA 3.34Å; D278-A299 VanDerWaalsContact O-CB 3.32Å; D278-A299 WeakPolarHBondContact O-CB 3.02Å; D278-K300 HydrophobicContact CB-CG 4.1Å; D278-K300 PolarHBondContact N-O 3.06Å; D278-K300 PolarHBondContact O-N 3.18Å; D278-K300 WeakPolarHBondContact OD2-CE 3.37Å; D278-K300 IonicContact OD2-NZ 3.63Å; D278-W407 HydrophobicContact CB-CE3 3.62Å; D278-W407 HydrophobicContact CB-CZ3 4Å; D278-H408 CarbonylContact C-O 3.59Å; D278-H408 WeakPolarHBondContact CA-O 3.21Å; D278-T409 WeakPolarHBondContact OD1-CA 3.36Å; D278-T409 WeakPolarHBondContact OD1-CB 3.42Å; D278-T409 PolarHBondContact OD1-OG1 3.1Å
279I97.9Very high84.2Confident0 Ų066.4 Ų66.40%033%0.333CS..EExtended strand (participates in β ladder)trans-117133.4172.7-173.7163.4000111.2F281 I296 A299 V315 V362 V364 V379 W407 H408 L410I279-F281 HydrophobicContact CG1-CD1 4.34Å; I279-F281 HydrophobicContact CG2-CD1 4.22Å; I279-F281 HydrophobicContact CG2-CE1 4.24Å; I279-I296 HydrophobicContact CD1-CG2 4.33Å; I279-A299 HydrophobicContact CB-CB 4.24Å; I279-A299 HydrophobicContact CG1-CB 4.26Å; I279-V315 HydrophobicContact CD1-CG1 4Å; I279-V315 HydrophobicContact CD1-CG2 3.87Å; I279-V362 HydrophobicContact CD1-CG1 3.81Å; I279-V364 HydrophobicContact CD1-CG2 3.74Å; I279-V379 HydrophobicContact CG2-CG1 4.17Å; I279-W407 WeakPolarHBondContact O-CA 3.42Å; I279-H408 HydrophobicContact CG2-CB 4.42Å; I279-H408 PolarHBondContact N-O 3Å; I279-H408 PolarHBondContact O-N 3.46Å; I279-L410 HydrophobicContact CB-CD2 4.28Å; I279-L410 HydrophobicContact CG2-CD2 3.69Å; I279-L410 HydrophobicContact CG2-CG 4.39Å
280C98.1Very high85.5Confident10 Ų1059.9 Ų59.97%0.06831%0.306CS..EExtended strand (participates in β ladder)trans-101.7123.6172.1-162.80000110.1L297 E298 W407C280-L297 HydrophobicContact CB-CB 4.37Å; C280-L297 WeakPolarHBondContact O-CB 3.43Å; C280-L297 PolarHBondContact O-N 3.23Å; C280-E298 HydrophobicContact CB-CG 3.9Å; C280-E298 PolarHBondContact N-O 3.1Å; C280-E298 PolarHBondContact O-N 2.89Å; C280-W407 HydrophobicContact CB-CD2 3.7Å; C280-W407 HydrophobicContact CB-CE3 3.69Å; C280-W407 HydrophobicContact CB-CG 4.38Å; C280-W407 HydrophobicContact CB-CH2 3.83Å; C280-W407 HydrophobicContact CB-CZ2 3.84Å; C280-W407 HydrophobicContact CB-CZ3 3.76Å
281F98.3Very high87.4Confident0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-142.1157.617160.9-90.1000111.1I279 L283 V294 V295 I296 V362 V379 V381 H392 Q406 H408I279-F281 HydrophobicContact CG1-CD1 4.34Å; I279-F281 HydrophobicContact CG2-CD1 4.22Å; I279-F281 HydrophobicContact CG2-CE1 4.24Å; F281-L283 HydrophobicContact CD2-CD2 4.07Å; F281-L283 HydrophobicContact CD2-CG 4.12Å; F281-L283 HydrophobicContact CE2-CD1 4.23Å; F281-L283 HydrophobicContact CE2-CD2 3.94Å; F281-L283 HydrophobicContact CE2-CG 3.93Å; F281-V294 HydrophobicContact CD2-CG1 4.26Å; F281-V295 CarbonylContact C-O 3.56Å; F281-V295 WeakPolarHBondContact CA-O 3.21Å; F281-V295 VanDerWaalsContact CB-O 3.29Å; F281-V295 WeakPolarHBondContact CB-O 3.38Å; F281-I296 HydrophobicContact CB-CD1 3.86Å; F281-I296 HydrophobicContact CG-CD1 4.44Å; F281-V362 HydrophobicContact CE1-CG2 4.21Å; F281-V362 HydrophobicContact CZ-CG2 4.23Å; F281-V379 HydrophobicContact CE1-CG1 4.26Å; F281-V381 HydrophobicContact CE2-CG1 4.28Å; F281-V381 HydrophobicContact CE2-CG2 4.4Å; F281-V381 HydrophobicContact CZ-CG1 3.86Å; F281-H392 AromaticContact CD2-CE1 2.88Å; F281-H392 WeakPolarHBondContact CD2-CE1 3.31Å; F281-H392 AromaticContact CE2-CE1 3.03Å; F281-H392 WeakPolarHBondContact CE2-CE1 3.46Å; F281-H392 AromaticContact CE2-ND1 3.57Å; F281-H392 AromaticContact CG-CE1 3.64Å; F281-H392 AromaticContact CZ-CE1 3.89Å; F281-H392 PolarHBondContact O-CE1 3.01Å; F281-Q406 PolarHBondContact N-O 3.05Å; F281-Q406 PolarHBondContact O-N 3.05Å; F281-H408 HydrophobicContact CE1-CB 4.36Å; F281-H408 AromaticContact CE1-CD2 3.27Å; F281-H408 WeakPolarHBondContact CE1-CD2 3.47Å; F281-H408 AromaticContact CE1-CG 3.95Å; F281-H408 AromaticContact CE1-NE2 3.91Å; F281-H408 AromaticContact CZ-CD2 3.44Å; F281-H408 VanDerWaalsContact CZ-CD2 3.44Å; F281-H408 WeakPolarHBondContact CZ-CD2 3.16Å; F281-H408 AromaticContact CZ-NE2 3.57Å
282S97.9Very high89.4Confident10 Ų1050.5 Ų50.57%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-108.9144.3172.274.70000112.7V294 V295 I404S282-V294 CarbonylContact O-C 3.52Å; S282-V294 WeakPolarHBondContact O-CA 3.45Å; S282-V295 PolarHBondContact N-O 2.78Å; S282-V295 PolarHBondContact O-N 2.84Å; S282-V295 WeakPolarHBondContact OG-CB 3.41Å; S282-I404 CarbonylContact C-O 3.36Å; S282-I404 WeakPolarHBondContact CA-O 3.42Å; S282-I404 WeakPolarHBondContact CB-O 3.25Å
283L97.8Very high91.6Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-115.2135.3175.6-66.2178.8000109.4F281 V294 V381 H392 W393 M396 P403 I404F281-L283 HydrophobicContact CD2-CD2 4.07Å; F281-L283 HydrophobicContact CD2-CG 4.12Å; F281-L283 HydrophobicContact CE2-CD1 4.23Å; F281-L283 HydrophobicContact CE2-CD2 3.94Å; F281-L283 HydrophobicContact CE2-CG 3.93Å; L283-V294 HydrophobicContact CD2-CB 4.43Å; L283-V294 HydrophobicContact CD2-CG1 4.16Å; L283-V294 HydrophobicContact CD2-CG2 3.87Å; L283-V381 HydrophobicContact CD1-CG2 4.06Å; L283-H392 WeakPolarHBondContact CD1-ND1 3.38Å; L283-H392 PolarHBondContact N-NE2 3.2Å; L283-W393 HydrophobicContact CD1-CE3 3.97Å; L283-W393 HydrophobicContact CD1-CZ3 4.49Å; L283-M396 HydrophobicContact CB-CB 4.03Å; L283-M396 HydrophobicContact CB-CG 3.85Å; L283-M396 HydrophobicContact CB-SD 3.69Å; L283-M396 HydrophobicContact CD1-SD 4.25Å; L283-M396 HydrophobicContact CG-SD 4.45Å; L283-P403 WeakPolarHBondContact O-CA 3.37Å; L283-I404 PolarHBondContact N-O 2.92Å; L283-I404 PolarHBondContact O-N 2.75Å
284R97.1Very high93.6Very high82 Ų8239.6 Ų39.631%0.30921%0.214SC..EExtended strand (participates in β ladder)trans-142.1117.8177179.9172.6-176.6-89.8-2.2110.2T293 R401 P403R284-T293 PolarHBondContact N-O 3Å; R284-T293 PolarHBondContact O-N 2.69Å; R284-R401 VanDerWaalsContact CZ-O 3.27Å; R284-R401 PolarHBondContact NE-O 2.83Å; R284-R401 PolarHBondContact NH2-O 3.01Å; R284-P403 HydrophobicContact CB-CB 4.21Å
285Y96.8Very high95.1Very high2 Ų234.3 Ų34.31%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-108.3141.7175.7-168.4-113.6000112.8P287 K291 L292 V350 F352 I355 L397 R401Y285-P287 HydrophobicContact CD1-CB 4.47Å; Y285-P287 HydrophobicContact CD1-CG 3.77Å; Y285-P287 HydrophobicContact CE1-CB 3.91Å; Y285-P287 HydrophobicContact CE1-CG 3.69Å; Y285-K291 WeakPolarHBondContact CD2-O 3.31Å; Y285-L292 HydrophobicContact CD2-CB 3.91Å; Y285-L292 HydrophobicContact CD2-CD1 4.26Å; Y285-L292 HydrophobicContact CE2-CB 4.33Å; Y285-V350 WeakPolarHBondContact CE2-O 3.45Å; Y285-V350 PolarHBondContact OH-O 3Å; Y285-F352 AromaticContact CE1-CD2 3.95Å; Y285-F352 HydrophobicContact CE1-CD2 3.95Å; Y285-F352 WeakPolarHBondContact OH-CA 3.25Å; Y285-F352 PolarHBondContact OH-N 2.82Å; Y285-I355 HydrophobicContact CD1-CG1 4.45Å; Y285-I355 HydrophobicContact CD2-CD1 3.82Å; Y285-I355 HydrophobicContact CD2-CG1 4.36Å; Y285-I355 HydrophobicContact CE1-CG1 4.25Å; Y285-I355 HydrophobicContact CE2-CD1 3.63Å; Y285-I355 HydrophobicContact CE2-CG1 4.16Å; Y285-I355 HydrophobicContact CG-CD1 4.39Å; Y285-L397 HydrophobicContact CD1-CD2 4.29Å; Y285-R401 PolarHBondContact O-N 2.8Å
286V96.1Very high96.1Very high20 Ų2028 Ų2812%0.12116%0.163CC..EExtended strand (participates in β ladder)trans-126.695175.9-176.70000108.6T288 A289 G290 K291 R401V286-T288 PolarHBondContact O-N 2.93Å; V286-A289 HydrophobicContact CG1-CB 3.99Å; V286-A289 PolarHBondContact O-N 3.33Å; V286-G290 PolarHBondContact O-N 3.34Å; V286-G290 VanDerWaalsContact O-N 3.13Å; V286-K291 HydrophobicContact CB-CB 4.39Å; V286-K291 PolarHBondContact N-O 2.83Å; V286-K291 PolarHBondContact O-N 2.8Å; V286-K291 VanDerWaalsContact O-N 3.13Å; V286-R401 HydrophobicContact CG1-CG 4.21Å; V286-R401 HydrophobicContact CG2-CG 4.23Å
287P93.2Very high96.4Very high45 Ų4528.8 Ų28.829%0.29217%0.167SC..G310 helixtrans-56-46.7-175-25.231.8000113.6Y285 A289 G290 F352 P400Y285-P287 HydrophobicContact CD1-CB 4.47Å; Y285-P287 HydrophobicContact CD1-CG 3.77Å; Y285-P287 HydrophobicContact CE1-CB 3.91Å; Y285-P287 HydrophobicContact CE1-CG 3.69Å; P287-A289 PolarHBondContact O-N 2.56Å; P287-G290 PolarHBondContact O-N 3.44Å; P287-F352 HydrophobicContact CB-CD2 4.42Å; P287-P400 HydrophobicContact CG-CB 4.29Å
288T91.8Very high96.6Very high144 Ų14432 Ų3288%0.88318%0.182SC*.G310 helixtrans-58.8-22.8-177.7-39.70000114.3V286V286-T288 PolarHBondContact O-N 2.93Å
289A93Very high96.7Very high67 Ų6730.5 Ų30.555%0.55417%0.174SC*.G310 helixtrans-113.95.4179.400000112.7V286 P287 K291V286-A289 HydrophobicContact CG1-CB 3.99Å; V286-A289 PolarHBondContact O-N 3.33Å; P287-A289 PolarHBondContact O-N 2.56Å; A289-K291 HydrophobicContact CB-CB 4.18Å; A289-K291 PolarHBondContact O-N 2.73Å
290G94.6Very high96.5Very high13 Ų1333.8 Ų33.813%0.13419%0.188CC..THydrogen-bonded Turntrans51.329.3-171.700000113.6V286 P287 E349 V350V286-G290 PolarHBondContact O-N 3.34Å; V286-G290 VanDerWaalsContact O-N 3.13Å; P287-G290 PolarHBondContact O-N 3.44Å; G290-E349 CarbonylContact O-C 3.56Å; G290-E349 WeakPolarHBondContact O-CA 3.29Å; G290-V350 CarbonylContact C-O 3.6Å; G290-V350 WeakPolarHBondContact CA-O 3.31Å; G290-V350 CarbonylContact O-C 3.44Å; G290-V350 PolarHBondContact O-N 2.72Å; G290-V350 VanDerWaalsContact O-O 3.05Å
291K96.1Very high96.3Very high95 Ų9538.3 Ų38.341%0.41321%0.212SC..EExtended strand (participates in β ladder)trans-105.9114.6-166.6-172.5170.2-178.7172.30111.5Y285 V286 A289 S347Y285-K291 WeakPolarHBondContact CD2-O 3.31Å; V286-K291 HydrophobicContact CB-CB 4.39Å; V286-K291 PolarHBondContact N-O 2.83Å; V286-K291 PolarHBondContact O-N 2.8Å; V286-K291 VanDerWaalsContact O-N 3.13Å; A289-K291 HydrophobicContact CB-CB 4.18Å; A289-K291 PolarHBondContact O-N 2.73Å; K291-S347 WeakPolarHBondContact CE-OG 3.49Å
292L96.9Very high96Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-100.2117170.5177.857.2000109.2Y285 V294 S347 F348 V350 I355 I360 W393 M396Y285-L292 HydrophobicContact CD2-CB 3.91Å; Y285-L292 HydrophobicContact CD2-CD1 4.26Å; Y285-L292 HydrophobicContact CE2-CB 4.33Å; L292-V294 HydrophobicContact CG-CG2 4.45Å; L292-S347 CarbonylContact O-C 3.55Å; L292-S347 WeakPolarHBondContact O-CA 3.34Å; L292-F348 HydrophobicContact CB-CB 4.5Å; L292-F348 PolarHBondContact N-O 2.59Å; L292-F348 PolarHBondContact O-N 2.79Å; L292-V350 HydrophobicContact CB-CG2 4.32Å; L292-V350 HydrophobicContact CD2-CG2 4.28Å; L292-I355 HydrophobicContact CD2-CD1 4.38Å; L292-I360 HydrophobicContact CD2-CD1 3.88Å; L292-I360 HydrophobicContact CD2-CG1 3.86Å; L292-W393 HydrophobicContact CD2-CH2 3.81Å; L292-W393 HydrophobicContact CD2-CZ3 4.23Å; L292-M396 HydrophobicContact CD1-CE 4.39Å; L292-M396 HydrophobicContact CD1-SD 3.44Å; L292-M396 WeakPolarHBondContact CD1-SD 3.28Å
293T97.6Very high95.6Very high16 Ų1641.4 Ų41.410%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-106.3130.7172.4-62.40000109.7R284 V295 F346 S347R284-T293 PolarHBondContact N-O 3Å; R284-T293 PolarHBondContact O-N 2.69Å; T293-V295 HydrophobicContact CG2-CG2 4.07Å; T293-F346 CarbonylContact C-O 3.54Å; T293-F346 WeakPolarHBondContact CA-O 3.17Å; T293-S347 PolarHBondContact OG1-OG 3.07Å
294V98.2Very high95.1Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-117121174-173.90000106.9F281 S282 L283 L292 I296 I317 F346 F348 I360F281-V294 HydrophobicContact CD2-CG1 4.26Å; S282-V294 CarbonylContact O-C 3.52Å; S282-V294 WeakPolarHBondContact O-CA 3.45Å; L283-V294 HydrophobicContact CD2-CB 4.43Å; L283-V294 HydrophobicContact CD2-CG1 4.16Å; L283-V294 HydrophobicContact CD2-CG2 3.87Å; L292-V294 HydrophobicContact CG-CG2 4.45Å; V294-I296 HydrophobicContact CG1-CD1 4.19Å; V294-I317 HydrophobicContact CG1-CD1 4.18Å; V294-F346 PolarHBondContact N-O 2.96Å; V294-F346 PolarHBondContact O-N 3.07Å; V294-F348 HydrophobicContact CG2-CD2 4.25Å; V294-F348 HydrophobicContact CG2-CE2 4.06Å; V294-I360 HydrophobicContact CG2-CG2 4.39Å
295V98.4Very high94.5Very high23 Ų2345.3 Ų45.314%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-110.3115.2173.8-167.60000108.5F281 S282 T293 L297 E344F281-V295 CarbonylContact C-O 3.56Å; F281-V295 WeakPolarHBondContact CA-O 3.21Å; F281-V295 VanDerWaalsContact CB-O 3.29Å; F281-V295 WeakPolarHBondContact CB-O 3.38Å; S282-V295 PolarHBondContact N-O 2.78Å; S282-V295 PolarHBondContact O-N 2.84Å; S282-V295 WeakPolarHBondContact OG-CB 3.41Å; T293-V295 HydrophobicContact CG2-CG2 4.07Å; V295-L297 HydrophobicContact CG1-CD2 4.03Å; V295-L297 PolarHBondContact O-N 2.8Å; V295-E344 CarbonylContact C-O 3.58Å; V295-E344 WeakPolarHBondContact CA-O 3.39Å
296I98.4Very high93.8Very high0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-77.7115.5171.8-56-55.6000106.8I279 F281 V294 V315 I317 T331 Y342 N343 E344 F346 V362I279-I296 HydrophobicContact CD1-CG2 4.33Å; F281-I296 HydrophobicContact CB-CD1 3.86Å; F281-I296 HydrophobicContact CG-CD1 4.44Å; V294-I296 HydrophobicContact CG1-CD1 4.19Å; I296-V315 HydrophobicContact CD1-CG1 4.15Å; I296-V315 HydrophobicContact CG1-CG1 4.3Å; I296-V315 HydrophobicContact CG2-CB 4.38Å; I296-V315 HydrophobicContact CG2-CG2 3.95Å; I296-I317 HydrophobicContact CD1-CD1 3.81Å; I296-I317 HydrophobicContact CD1-CG1 4.24Å; I296-I317 HydrophobicContact CG1-CD1 3.75Å; I296-I317 HydrophobicContact CG1-CG1 4.4Å; I296-T331 HydrophobicContact CB-CG2 4.17Å; I296-T331 HydrophobicContact CG1-CG2 4.17Å; I296-T331 HydrophobicContact CG2-CG2 4.24Å; I296-Y342 HydrophobicContact CG2-CD2 3.65Å; I296-Y342 HydrophobicContact CG2-CE2 4.28Å; I296-Y342 HydrophobicContact CG2-CG 4Å; I296-N343 CarbonylContact O-C 3.47Å; I296-N343 WeakPolarHBondContact O-CA 3.38Å; I296-N343 PolarHBondContact O-N 2.9Å; I296-E344 PolarHBondContact N-O 3.2Å; I296-E344 PolarHBondContact O-N 3.24Å; I296-F346 HydrophobicContact CB-CE2 4.49Å; I296-F346 HydrophobicContact CG1-CD2 4.2Å; I296-F346 HydrophobicContact CG1-CE2 3.95Å; I296-V362 HydrophobicContact CD1-CG1 4.19Å
297L97.8Very high92.7Very high39 Ų3954 Ų5420%0.20430%0.297CS..EExtended strand (participates in β ladder)trans-87.6-65.4-176.9-62.7171.8000109C280 V295 Y342 N343 A405C280-L297 HydrophobicContact CB-CB 4.37Å; C280-L297 WeakPolarHBondContact O-CB 3.43Å; C280-L297 PolarHBondContact O-N 3.23Å; V295-L297 HydrophobicContact CG1-CD2 4.03Å; V295-L297 PolarHBondContact O-N 2.8Å; L297-Y342 WeakPolarHBondContact O-CA 3.12Å; L297-Y342 PolarHBondContact O-N 2.93Å; L297-N343 PolarHBondContact O-N 3.36Å; L297-A405 HydrophobicContact CD1-CB 3.94Å
298E96.9Very high91.4Very high72 Ų7255.5 Ų55.534%0.33632%0.319SS..EExtended strand (participates in β ladder)trans-160.3169.6-174.958.1-174.7-167.300111.1C280 P340 Y341 W407C280-E298 HydrophobicContact CB-CG 3.9Å; C280-E298 PolarHBondContact N-O 3.1Å; C280-E298 PolarHBondContact O-N 2.89Å; E298-P340 CarbonylContact C-O 3.59Å; E298-P340 WeakPolarHBondContact CA-O 3.11Å; E298-P340 WeakPolarHBondContact CB-O 3.32Å; E298-Y341 HydrophobicContact CB-CD2 4.11Å; E298-W407 HydrophobicContact CG-CH2 3.83Å; E298-W407 HydrophobicContact CG-CZ2 4.24Å; E298-W407 VanDerWaalsContact OE1-CZ2 3.24Å; E298-W407 WeakPolarHBondContact OE1-CZ2 3.34Å
299A97.6Very high90.6Very high2 Ų249.8 Ų49.82%0.01729%0.29CS..EExtended strand (participates in β ladder)trans-133160.8162.800000109.6D278 I279 L302 N339 P340D278-A299 CarbonylContact O-C 3.55Å; D278-A299 WeakPolarHBondContact O-CA 3.34Å; D278-A299 VanDerWaalsContact O-CB 3.32Å; D278-A299 WeakPolarHBondContact O-CB 3.02Å; I279-A299 HydrophobicContact CB-CB 4.24Å; I279-A299 HydrophobicContact CG1-CB 4.26Å; A299-L302 HydrophobicContact CB-CD1 4.23Å; A299-L302 HydrophobicContact CB-CD2 3.99Å; A299-L302 HydrophobicContact CB-CG 4.23Å; A299-N339 CarbonylContact O-C 3.39Å; A299-N339 VanDerWaalsContact O-CA 3.23Å; A299-N339 WeakPolarHBondContact O-CA 3.48Å; A299-P340 HydrophobicContact CB-CG 4.01Å; A299-P340 PolarHBondContact N-O 3.3Å; A299-P340 WeakPolarHBondContact O-CD 3.28Å
300K94.4Very high90.2Very high70 Ų7049.6 Ų49.630%0.30428%0.279SS..EExtended strand (participates in β ladder)trans-139.9158.9-179.971.2-176176.5-178.90111.9G277 D278 L302 L338 N339 W407G277-K300 WeakPolarHBondContact CA-O 3.5Å; D278-K300 HydrophobicContact CB-CG 4.1Å; D278-K300 PolarHBondContact N-O 3.06Å; D278-K300 PolarHBondContact O-N 3.18Å; D278-K300 WeakPolarHBondContact OD2-CE 3.37Å; D278-K300 IonicContact OD2-NZ 3.63Å; K300-L302 PolarHBondContact O-N 2.91Å; K300-L302 VanDerWaalsContact O-N 3.13Å; K300-L338 CarbonylContact C-O 3.5Å; K300-N339 WeakPolarHBondContact CA-OD1 3.14Å; K300-N339 WeakPolarHBondContact CB-OD1 3.3Å; K300-W407 HydrophobicContact CB-CH2 4.18Å; K300-W407 HydrophobicContact CB-CZ3 4.26Å; K300-W407 HydrophobicContact CD-CE3 4.32Å; K300-W407 HydrophobicContact CD-CH2 3.57Å; K300-W407 HydrophobicContact CD-CZ2 4.14Å; K300-W407 HydrophobicContact CD-CZ3 3.68Å; K300-W407 HydrophobicContact CG-CE3 4.46Å; K300-W407 HydrophobicContact CG-CH2 3.83Å; K300-W407 HydrophobicContact CG-CZ3 3.61Å
301N92.6Very high90Very high105 Ų10549 Ų4956%0.56127%0.273SS*.SBendtrans51.533.4175.8-59.1-24000113.4G277 L338 N339G277-N301 WeakPolarHBondContact CA-O 3.29Å; N301-L338 PolarHBondContact N-O 2.82Å; N301-N339 PolarHBondContact N-OD1 3.02Å
302L93.6Very high89.8Confident4 Ų444.9 Ų44.92%0.02126%0.255CS..PPolyproline II helixtrans-60.8144.1-178.9-66.7179.5000111.2L276 A299 K300 K304 P313 L338 P340 V364 I376 L410L276-L302 WeakPolarHBondContact O-CA 3.5Å; A299-L302 HydrophobicContact CB-CD1 4.23Å; A299-L302 HydrophobicContact CB-CD2 3.99Å; A299-L302 HydrophobicContact CB-CG 4.23Å; K300-L302 PolarHBondContact O-N 2.91Å; K300-L302 VanDerWaalsContact O-N 3.13Å; L302-K304 PolarHBondContact O-N 3.07Å; L302-P313 HydrophobicContact CD1-CB 3.72Å; L302-P313 HydrophobicContact CD1-CG 3.96Å; L302-L338 HydrophobicContact CB-CB 4.32Å; L302-L338 HydrophobicContact CB-CD2 4.47Å; L302-L338 WeakPolarHBondContact CG-O 3.33Å; L302-L338 PolarHBondContact N-O 2.94Å; L302-L338 WeakPolarHBondContact O-CD2 3.35Å; L302-P340 HydrophobicContact CD1-CG 3.71Å; L302-V364 HydrophobicContact CD1-CG1 4.01Å; L302-V364 HydrophobicContact CD2-CG1 4.07Å; L302-I376 HydrophobicContact CB-CG2 4.35Å; L302-I376 HydrophobicContact CD1-CD1 4.49Å; L302-I376 HydrophobicContact CD2-CG2 4.27Å; L302-L410 HydrophobicContact CD2-CD1 3.56Å
303K88.9Confident89.8Confident70 Ų7044.9 Ų44.930%0.30426%0.255SS..PPolyproline II helixtrans-65124.6170.6173.8174.2173.9174.80110E274 L276 M305 I376E274-K303 IonicContact OE2-NZ 2.66Å; E274-K303 PolarHBondContact OE2-NZ 3.33Å; L276-K303 HydrophobicContact CD2-CB 4.33Å; L276-K303 HydrophobicContact CD2-CD 3.75Å; L276-K303 PolarHBondContact O-N 2.75Å; L276-K303 VanDerWaalsContact O-N 3.09Å; K303-M305 HydrophobicContact CD-SD 4.32Å; K303-M305 HydrophobicContact CG-SD 4.09Å; K303-I376 HydrophobicContact CB-CG2 4.17Å
304K87.5Confident89.8Confident100 Ų10044.8 Ų44.844%0.43525%0.253SS..PPolyproline II helixtrans-65.2131.7171.7153.4166.5-179.6165.60110.7L302 D306 G309 L310 L338L302-K304 PolarHBondContact O-N 3.07Å; K304-D306 WeakPolarHBondContact CE-O 3.46Å; K304-G309 WeakPolarHBondContact CE-O 3.31Å; K304-G309 PolarHBondContact NZ-O 2.87Å; K304-L310 WeakPolarHBondContact CG-O 3.42Å; K304-L338 HydrophobicContact CB-CD1 4.28Å; K304-L338 HydrophobicContact CB-CD2 4.07Å
305M84Confident89.8Confident65 Ų6544.8 Ų44.832%0.3225%0.253SS..  trans-112.1-32.8174.6-45.8-65.9-77.700112.7K303 V307 L310 S311 D366 D374 I376K303-M305 HydrophobicContact CD-SD 4.32Å; K303-M305 HydrophobicContact CG-SD 4.09Å; M305-V307 PolarHBondContact O-N 2.89Å; M305-L310 PolarHBondContact N-O 2.81Å; M305-S311 PolarHBondContact N-OG 3.35Å; M305-D366 HydrophobicContact CB-CB 4.34Å; M305-D366 VanDerWaalsContact CB-OD2 3.31Å; M305-D366 WeakPolarHBondContact CB-OD2 3.37Å; M305-D366 HydrophobicContact CG-CB 4.14Å; M305-D366 WeakPolarHBondContact CG-OD2 3.3Å; M305-D374 HydrophobicContact CE-CB 4.03Å; M305-I376 HydrophobicContact CG-CD1 4.45Å; M305-I376 HydrophobicContact CG-CG1 3.87Å; M305-I376 HydrophobicContact SD-CG1 4.4Å
306D82.4Confident89.8Confident46 Ų4645.4 Ų45.425%0.24625%0.254CS..  trans-63.3129.2-174.9-84.7-44000113.4K304 G308 L310K304-D306 WeakPolarHBondContact CE-O 3.46Å; D306-G308 PolarHBondContact O-N 2.84Å; D306-L310 PolarHBondContact N-O 2.99Å
307V71.8Confident89.7Confident159 Ų15945.4 Ų45.496%0.96425%0.254SS*.SBendtrans-76.974.4168.8-171.70000110.2M305M305-V307 PolarHBondContact O-N 2.89Å
308G67.6Low89.7Confident75 Ų7544.3 Ų44.377%0.77325%0.247SC*.SBendtrans131-20.8175.800000114.7D306D306-G308 PolarHBondContact O-N 2.84Å
309G73.3Confident89.6Confident25 Ų2541 Ų4126%0.25823%0.232SC..SBendtrans-94.8-150.4174.900000113.4K304K304-G309 WeakPolarHBondContact CE-O 3.31Å; K304-G309 PolarHBondContact NZ-O 2.87Å
310L85.3Confident89.4Confident63 Ų6341.6 Ų41.633%0.3324%0.235SC..  trans-107.2-86.2161.2-69178.6000108.6K304 M305 D306 N336 L338K304-L310 WeakPolarHBondContact CG-O 3.42Å; M305-L310 PolarHBondContact N-O 2.81Å; D306-L310 PolarHBondContact N-O 2.99Å; L310-N336 WeakPolarHBondContact CB-OD1 3.18Å; L310-N336 PolarHBondContact N-OD1 3.37Å; L310-L338 HydrophobicContact CB-CD2 3.96Å; L310-L338 HydrophobicContact CB-CG 4.1Å; L310-L338 HydrophobicContact CD1-CG 4.46Å; L310-L338 HydrophobicContact CD2-CD1 4.11Å; L310-L338 HydrophobicContact CD2-CG 4.23Å; L310-L338 HydrophobicContact CG-CG 4.5Å
311S89.7Confident89.2Confident0 Ų040.1 Ų40.10%023%0.229CC..  trans-161.4153.6171-78.60000107.8M305 P313 N336 T337 D366M305-S311 PolarHBondContact N-OG 3.35Å; S311-P313 WeakPolarHBondContact O-CD 3.19Å; S311-N336 CarbonylContact O-C 3.52Å; S311-N336 WeakPolarHBondContact O-CA 3.33Å; S311-N336 PolarHBondContact O-N 2.93Å; S311-T337 PolarHBondContact O-N 3.27Å; S311-D366 VanDerWaalsContact CA-OD2 3.29Å; S311-D366 WeakPolarHBondContact CA-OD2 3.07Å; S311-D366 WeakPolarHBondContact CB-OD2 3.27Å; S311-D366 PolarHBondContact OG-OD2 2.66Å
312D93.4Very high88.8Confident8 Ų841.1 Ų41.14%0.04323%0.234CC..  trans-102.763.5166.7-82.23.4000109.9I333 K334 K335 N336 D366 Y367 K369D312-I333 HydrophobicContact CB-CG2 4.09Å; D312-I333 WeakPolarHBondContact O-CG2 3.44Å; D312-K334 CarbonylContact C-O 3.57Å; D312-K334 WeakPolarHBondContact CA-O 3.46Å; D312-K335 WeakPolarHBondContact OD1-CA 3.22Å; D312-K335 VanDerWaalsContact OD1-CB 3.32Å; D312-K335 WeakPolarHBondContact OD1-CB 3.5Å; D312-N336 PolarHBondContact OD1-N 2.95Å; D312-D366 WeakPolarHBondContact CA-OD1 3.28Å; D312-D366 PolarHBondContact N-OD1 2.91Å; D312-Y367 HydrophobicContact CB-CD1 4.49Å; D312-Y367 VanDerWaalsContact O-CB 3.27Å; D312-Y367 WeakPolarHBondContact O-CB 3.45Å; D312-Y367 PolarHBondContact O-N 2.91Å; D312-K369 IonicContact OD2-NZ 3.26Å
313P96.4Very high88.2Confident0 Ų042.3 Ų42.30%025%0.248CC..  trans-67.3148.4-167.729.2-39.6000115.6L302 S311 K334 T337 P340 Y342 V364 L365 I376L302-P313 HydrophobicContact CD1-CB 3.72Å; L302-P313 HydrophobicContact CD1-CG 3.96Å; S311-P313 WeakPolarHBondContact O-CD 3.19Å; P313-K334 WeakPolarHBondContact CD-O 3.28Å; P313-K334 VanDerWaalsContact N-O 3.13Å; P313-K334 PolarHBondContact O-N 2.91Å; P313-T337 VanDerWaalsContact CD-O 3.26Å; P313-T337 WeakPolarHBondContact CD-O 3.18Å; P313-T337 HydrophobicContact CG-CG2 4.1Å; P313-T337 WeakPolarHBondContact CG-O 3.08Å; P313-P340 HydrophobicContact CB-CG 4.2Å; P313-P340 HydrophobicContact CG-CB 3.84Å; P313-P340 HydrophobicContact CG-CG 3.66Å; P313-Y342 PolarHBondContact O-OH 2.7Å; P313-V364 HydrophobicContact CB-CG1 4.39Å; P313-L365 CarbonylContact C-O 3.47Å; P313-L365 VanDerWaalsContact CA-O 3.31Å; P313-L365 WeakPolarHBondContact CA-O 3.3Å; P313-I376 HydrophobicContact CB-CD1 4.34Å
314Y97.4Very high88.1Confident15 Ų1546.3 Ų46.36%0.05927%0.265CS..EExtended strand (participates in β ladder)trans-149.3157.316772.4-73.4000112.1K316 T332 I333 Y342 L365 D366 Y367 N373Y314-K316 HydrophobicContact CD2-CG 4.45Å; Y314-K316 HydrophobicContact CE2-CD 4.3Å; Y314-K316 HydrophobicContact CE2-CG 3.99Å; Y314-K316 VanDerWaalsContact CZ-CE 3.48Å; Y314-K316 WeakPolarHBondContact OH-CE 3.45Å; Y314-K316 PolarHBondContact OH-NZ 3.35Å; Y314-T332 WeakPolarHBondContact CB-O 3.19Å; Y314-I333 HydrophobicContact CD1-CG1 4.05Å; Y314-I333 HydrophobicContact CG-CG1 3.92Å; Y314-Y342 WeakPolarHBondContact CA-OH 3.35Å; Y314-L365 HydrophobicContact CD1-CB 4.42Å; Y314-L365 WeakPolarHBondContact CD1-O 3.18Å; Y314-L365 HydrophobicContact CE1-CB 3.97Å; Y314-L365 PolarHBondContact N-O 2.98Å; Y314-L365 PolarHBondContact O-N 3.48Å; Y314-D366 WeakPolarHBondContact CE1-O 3.42Å; Y314-Y367 HydrophobicContact CE1-CD2 4.45Å; Y314-N373 WeakPolarHBondContact CE1-OD1 3.49Å; Y314-N373 VanDerWaalsContact OH-CG 3.32Å; Y314-N373 PolarHBondContact OH-OD1 3.46Å
315V98.2Very high88.3Confident0 Ų049.1 Ų49.10%027%0.273CS..EExtended strand (participates in β ladder)trans-108.4130.2-175.2-170.70000110.7I279 I296 I317 K330 T331 Y342 V362 T363 V364I279-V315 HydrophobicContact CD1-CG1 4Å; I279-V315 HydrophobicContact CD1-CG2 3.87Å; I296-V315 HydrophobicContact CD1-CG1 4.15Å; I296-V315 HydrophobicContact CG1-CG1 4.3Å; I296-V315 HydrophobicContact CG2-CB 4.38Å; I296-V315 HydrophobicContact CG2-CG2 3.95Å; V315-I317 HydrophobicContact CG1-CG1 4.48Å; V315-K330 CarbonylContact O-C 3.59Å; V315-K330 WeakPolarHBondContact O-CA 3.22Å; V315-T331 HydrophobicContact CB-CG2 3.86Å; V315-T331 HydrophobicContact CG2-CG2 4.36Å; V315-T331 PolarHBondContact N-OG1 2.78Å; V315-T331 PolarHBondContact O-N 3.42Å; V315-Y342 HydrophobicContact CG2-CD2 4.46Å; V315-Y342 HydrophobicContact CG2-CE1 4.4Å; V315-Y342 HydrophobicContact CG2-CE2 3.8Å; V315-V362 HydrophobicContact CG1-CG1 3.42Å; V315-V362 VanDerWaalsContact CG1-CG1 3.42Å; V315-T363 CarbonylContact C-O 3.47Å; V315-T363 WeakPolarHBondContact CA-O 3.34Å; V315-V364 HydrophobicContact CG2-CG2 4.25Å
316K97.8Very high88.7Confident35 Ų3550.1 Ų50.115%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-101.4136167-66.3173.2-1641470109.1Y314 K330 T363 L365Y314-K316 HydrophobicContact CD2-CG 4.45Å; Y314-K316 HydrophobicContact CE2-CD 4.3Å; Y314-K316 HydrophobicContact CE2-CG 3.99Å; Y314-K316 VanDerWaalsContact CZ-CE 3.48Å; Y314-K316 WeakPolarHBondContact OH-CE 3.45Å; Y314-K316 PolarHBondContact OH-NZ 3.35Å; K316-K330 HydrophobicContact CG-CB 4.49Å; K316-T363 PolarHBondContact N-O 3.48Å; K316-T363 PolarHBondContact O-N 3.02Å; K316-L365 HydrophobicContact CB-CD1 4.09Å; K316-L365 HydrophobicContact CD-CD1 3.45Å; K316-L365 VanDerWaalsContact CD-CD1 3.45Å; K316-L365 HydrophobicContact CG-CD1 3.74Å
317I98Very high89.3Confident0 Ų052.2 Ų52.20%029%0.286CS..EExtended strand (participates in β ladder)trans-118.2124175.5-47.9174000108.2V294 I296 V315 K328 K329 F346 F348 I360 V361V294-I317 HydrophobicContact CG1-CD1 4.18Å; I296-I317 HydrophobicContact CD1-CD1 3.81Å; I296-I317 HydrophobicContact CD1-CG1 4.24Å; I296-I317 HydrophobicContact CG1-CD1 3.75Å; I296-I317 HydrophobicContact CG1-CG1 4.4Å; V315-I317 HydrophobicContact CG1-CG1 4.48Å; I317-K328 CarbonylContact O-C 3.54Å; I317-K328 WeakPolarHBondContact O-CA 3.28Å; I317-K329 PolarHBondContact N-O 3.26Å; I317-K329 PolarHBondContact O-N 3.36Å; I317-F346 HydrophobicContact CD1-CB 4.15Å; I317-F346 HydrophobicContact CD1-CD2 3.31Å; I317-F346 HydrophobicContact CD1-CE2 3.89Å; I317-F346 HydrophobicContact CD1-CG 3.86Å; I317-F348 HydrophobicContact CB-CZ 4.23Å; I317-F348 HydrophobicContact CG2-CE2 3.99Å; I317-F348 HydrophobicContact CG2-CZ 3.71Å; I317-I360 HydrophobicContact CG2-CG2 3.62Å; I317-V361 WeakPolarHBondContact CA-O 3.35Å
318H96.8Very high90.5Very high16 Ų1651.1 Ų51.17%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-117.1121175.4-57.196.2000110.1M320 K327 K328 V361H318-M320 HydrophobicContact CB-SD 4.24Å; H318-K327 WeakPolarHBondContact CA-O 3.45Å; H318-K328 WeakPolarHBondContact NE2-CD 3.47Å; H318-K328 WeakPolarHBondContact NE2-CE 3.32Å; H318-V361 HydrophobicContact CB-CB 4.39Å; H318-V361 PolarHBondContact N-O 3.47Å; H318-V361 PolarHBondContact O-N 2.9Å
319L95.9Very high91.9Very high4 Ų451.3 Ų51.32%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-76.6119.2163.4176.367.9000108.1L326 K327 F348 V350 V358 I360L319-L326 HydrophobicContact CD2-CB 4.26Å; L319-L326 HydrophobicContact CD2-CD1 4.31Å; L319-L326 HydrophobicContact CG-CB 4.29Å; L319-L326 HydrophobicContact CG-CD1 4.39Å; L319-L326 PolarHBondContact O-N 3.17Å; L319-K327 HydrophobicContact CB-CB 4.22Å; L319-K327 HydrophobicContact CD2-CB 4.37Å; L319-K327 HydrophobicContact CD2-CD 4.5Å; L319-K327 PolarHBondContact N-O 3.06Å; L319-F348 HydrophobicContact CB-CD1 3.88Å; L319-F348 HydrophobicContact CB-CE1 3.97Å; L319-F348 HydrophobicContact CD2-CB 4.4Å; L319-F348 HydrophobicContact CD2-CD1 4.15Å; L319-V350 HydrophobicContact CD1-CG2 3.98Å; L319-V350 HydrophobicContact CD2-CG2 4.1Å; L319-V358 HydrophobicContact CD1-CB 3.86Å; L319-V358 HydrophobicContact CD1-CG1 4.05Å; L319-V358 HydrophobicContact CD1-CG2 4.31Å; L319-I360 HydrophobicContact CB-CD1 4.21Å; L319-I360 HydrophobicContact CD1-CD1 3.67Å
320M93Very high93Very high13 Ų1356.5 Ų56.56%0.06426%0.263CS..EExtended strand (participates in β ladder)trans-110.1149.2178.9-56.6-68.3-71.800110.7H318 K324 R325 V358 Q359 V361H318-M320 HydrophobicContact CB-SD 4.24Å; M320-K324 VanDerWaalsContact CA-O 3.32Å; M320-K324 WeakPolarHBondContact CA-O 3.2Å; M320-R325 HydrophobicContact CE-CG 4.01Å; M320-R325 HydrophobicContact SD-CB 3.99Å; M320-R325 HydrophobicContact SD-CG 3.6Å; M320-V358 CarbonylContact O-C 3.44Å; M320-V358 VanDerWaalsContact O-CA 3.26Å; M320-V358 WeakPolarHBondContact O-CA 3.16Å; M320-V358 WeakPolarHBondContact O-CB 3.49Å; M320-Q359 HydrophobicContact CB-CB 4.15Å; M320-Q359 PolarHBondContact N-O 2.88Å; M320-Q359 PolarHBondContact O-N 3.39Å; M320-V361 HydrophobicContact CG-CB 4.35Å; M320-V361 HydrophobicContact CG-CG2 3.52Å
321Q89.7Confident93.6Very high39 Ų3953.8 Ų53.818%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-151.3134.1167.7-169.8179.567.100108.8G323 K324 L326 V358Q321-G323 PolarHBondContact O-N 2.94Å; Q321-G323 VanDerWaalsContact O-N 3.12Å; Q321-K324 PolarHBondContact N-O 3.02Å; Q321-K324 PolarHBondContact O-N 2.73Å; Q321-L326 HydrophobicContact CB-CD1 3.57Å; Q321-L326 HydrophobicContact CB-CG 4.07Å; Q321-V358 HydrophobicContact CB-CG1 4.37Å; Q321-V358 HydrophobicContact CG-CG1 4.37Å
322N84.1Confident94Very high126 Ų12657.3 Ų57.367%0.67427%0.271SS*.THydrogen-bonded Turntrans47.940.4-179.1-55.7-2.5000113.2K324N322-K324 PolarHBondContact O-N 3.37Å
323G80.8Confident94.2Very high29 Ų2959.7 Ų59.730%0.29928%0.283SS..THydrogen-bonded Turntrans70.16.1-177.500000116.3Q321Q321-G323 PolarHBondContact O-N 2.94Å; Q321-G323 VanDerWaalsContact O-N 3.12Å
324K87.3Confident94.1Very high154 Ų15462.3 Ų62.367%0.6729%0.294SS*.EExtended strand (participates in β ladder)trans-101.3142.7174.6-62.8-173.8179-177.80111.1M320 Q321 N322M320-K324 VanDerWaalsContact CA-O 3.32Å; M320-K324 WeakPolarHBondContact CA-O 3.2Å; Q321-K324 PolarHBondContact N-O 3.02Å; Q321-K324 PolarHBondContact O-N 2.73Å; N322-K324 PolarHBondContact O-N 3.37Å
325R91.9Very high93.9Very high160 Ų16068.5 Ų68.560%0.60432%0.322SS*.EExtended strand (participates in β ladder)trans-81.6115.1173.9-43.6-157.7160.3150.3-5.3108.7M320 D417M320-R325 HydrophobicContact CE-CG 4.01Å; M320-R325 HydrophobicContact SD-CB 3.99Å; M320-R325 HydrophobicContact SD-CG 3.6Å; R325-D417 IonicContact NH2-OD2 3.67Å
326L91.7Very high93.6Very high85 Ų8573 Ų7345%0.44535%0.345SS..EExtended strand (participates in β ladder)trans-93.1-53.1-176.2-64.8-174.4000113.3L319 Q321L319-L326 HydrophobicContact CD2-CB 4.26Å; L319-L326 HydrophobicContact CD2-CD1 4.31Å; L319-L326 HydrophobicContact CG-CB 4.29Å; L319-L326 HydrophobicContact CG-CD1 4.39Å; L319-L326 PolarHBondContact O-N 3.17Å; Q321-L326 HydrophobicContact CB-CD1 3.57Å; Q321-L326 HydrophobicContact CB-CG 4.07Å
327K94.8Very high93.4Very high90 Ų9072.9 Ų72.939%0.39135%0.348SS..EExtended strand (participates in β ladder)trans-137.3140.2-178.5-74.2177176.3164.40109.2H318 L319 F348 E349H318-K327 WeakPolarHBondContact CA-O 3.45Å; L319-K327 HydrophobicContact CB-CB 4.22Å; L319-K327 HydrophobicContact CD2-CB 4.37Å; L319-K327 HydrophobicContact CD2-CD 4.5Å; L319-K327 PolarHBondContact N-O 3.06Å; K327-F348 HydrophobicContact CB-CD1 3.93Å; K327-F348 HydrophobicContact CB-CE1 4.01Å; K327-F348 HydrophobicContact CD-CD1 4.47Å; K327-E349 IonicContact NZ-OE2 3.93Å; K327-E349 PolarHBondContact NZ-OE2 3.29Å
328K96.5Very high93.1Very high137 Ų13774.7 Ų74.760%0.59636%0.357SS*.EExtended strand (participates in β ladder)trans-123.1138-179.6-179.8178.2-177.9-179.90110.2I317 H318I317-K328 CarbonylContact O-C 3.54Å; I317-K328 WeakPolarHBondContact O-CA 3.28Å; H318-K328 WeakPolarHBondContact NE2-CD 3.47Å; H318-K328 WeakPolarHBondContact NE2-CE 3.32Å
329K97.7Very high93.1Very high79 Ų7978.3 Ų78.334%0.34338%0.377SS..EExtended strand (participates in β ladder)trans-135.4162.7171.3-66.9179.4178.8-71.50109.5I317 F346 S347 F348I317-K329 PolarHBondContact N-O 3.26Å; I317-K329 PolarHBondContact O-N 3.36Å; K329-F346 HydrophobicContact CB-CD1 3.91Å; K329-F346 HydrophobicContact CB-CE1 4.4Å; K329-F346 HydrophobicContact CB-CG 4.36Å; K329-F346 HydrophobicContact CD-CB 3.76Å; K329-F346 HydrophobicContact CD-CD1 3.87Å; K329-F346 HydrophobicContact CD-CG 4.19Å; K329-F346 HydrophobicContact CG-CD1 4.4Å; K329-S347 WeakPolarHBondContact CE-O 3.26Å; K329-F348 HydrophobicContact CB-CZ 4.39Å; K329-F348 HydrophobicContact CD-CE1 4.01Å; K329-F348 HydrophobicContact CD-CE2 4.29Å; K329-F348 HydrophobicContact CD-CZ 3.81Å; K329-F348 HydrophobicContact CG-CE1 4.24Å; K329-F348 HydrophobicContact CG-CZ 4.17Å
330K97.4Very high93.1Very high133 Ų13378.2 Ų78.258%0.57838%0.377SS*.EExtended strand (participates in β ladder)trans-143.8154.9176.365.4165.8-172.3166.90110.7V315 K316 F346V315-K330 CarbonylContact O-C 3.59Å; V315-K330 WeakPolarHBondContact O-CA 3.22Å; K316-K330 HydrophobicContact CG-CB 4.49Å; K330-F346 WeakPolarHBondContact O-CE1 3.27Å; K330-F346 WeakPolarHBondContact O-CZ 3.16Å
331T98Very high93.4Very high7 Ų784.2 Ų84.24%0.04340%0.4CS..  trans-79.5176.3170.560.10000112.8I296 V315 Y342 E344 F346I296-T331 HydrophobicContact CB-CG2 4.17Å; I296-T331 HydrophobicContact CG1-CG2 4.17Å; I296-T331 HydrophobicContact CG2-CG2 4.24Å; V315-T331 HydrophobicContact CB-CG2 3.86Å; V315-T331 HydrophobicContact CG2-CG2 4.36Å; V315-T331 PolarHBondContact N-OG1 2.78Å; V315-T331 PolarHBondContact O-N 3.42Å; T331-Y342 HydrophobicContact CG2-CD1 3.83Å; T331-Y342 HydrophobicContact CG2-CE1 4.27Å; T331-Y342 HydrophobicContact CG2-CG 4.22Å; T331-Y342 WeakPolarHBondContact OG1-CE1 3.32Å; T331-E344 WeakPolarHBondContact CA-OE2 3.3Å; T331-E344 WeakPolarHBondContact CB-OE1 3.35Å; T331-E344 HydrophobicContact CG2-CB 4.31Å; T331-F346 HydrophobicContact CG2-CE2 3.84Å; T331-F346 HydrophobicContact CG2-CZ 3.87Å
332T97.4Very high93.7Very high73 Ų7382.9 Ų82.945%0.44839%0.393SS..PPolyproline II helixtrans-60.2161.2152.864.80000111.3Y314 K334 E344Y314-T332 WeakPolarHBondContact CB-O 3.19Å; T332-K334 WeakPolarHBondContact OG1-CE 3.33Å; T332-K334 PolarHBondContact OG1-NZ 3.35Å; T332-E344 WeakPolarHBondContact CB-OE1 3.46Å; T332-E344 PolarHBondContact N-OE1 2.92Å; T332-E344 PolarHBondContact N-OE2 3.42Å; T332-E344 PolarHBondContact OG1-OE1 2.85Å
333I96.6Very high94.4Very high58 Ų5881.1 Ų81.130%0.29738%0.384SS..PPolyproline II helixtrans-94.5130.1174.2-64.5154.8000108.1D312 Y314 Y367D312-I333 HydrophobicContact CB-CG2 4.09Å; D312-I333 WeakPolarHBondContact O-CG2 3.44Å; Y314-I333 HydrophobicContact CD1-CG1 4.05Å; Y314-I333 HydrophobicContact CG-CG1 3.92Å; I333-Y367 HydrophobicContact CD1-CD1 4Å; I333-Y367 HydrophobicContact CD1-CD2 3.72Å; I333-Y367 HydrophobicContact CD1-CE1 4.45Å; I333-Y367 HydrophobicContact CD1-CE2 4.23Å; I333-Y367 HydrophobicContact CD1-CG 3.64Å; I333-Y367 HydrophobicContact CG1-CG 4.28Å; I333-Y367 HydrophobicContact CG2-CD1 4.18Å; I333-Y367 HydrophobicContact CG2-CG 4.17Å
334K95.9Very high95.2Very high55 Ų5581.4 Ų81.424%0.23938%0.377CS..PPolyproline II helixtrans-102.8125.7174-51.9-63.5169159.50107.2D312 P313 T332 T337 P340 Y341 Y342D312-K334 CarbonylContact C-O 3.57Å; D312-K334 WeakPolarHBondContact CA-O 3.46Å; P313-K334 WeakPolarHBondContact CD-O 3.28Å; P313-K334 VanDerWaalsContact N-O 3.13Å; P313-K334 PolarHBondContact O-N 2.91Å; T332-K334 WeakPolarHBondContact OG1-CE 3.33Å; T332-K334 PolarHBondContact OG1-NZ 3.35Å; K334-T337 HydrophobicContact CB-CG2 3.86Å; K334-P340 HydrophobicContact CB-CB 3.82Å; K334-P340 HydrophobicContact CG-CB 3.75Å; K334-Y341 WeakPolarHBondContact CD-O 3.14Å; K334-Y341 WeakPolarHBondContact CE-O 3.2Å; K334-Y341 PolarHBondContact NZ-O 3.46Å; K334-Y342 HydrophobicContact CD-CD1 4.39Å; K334-Y342 HydrophobicContact CD-CE1 4.45Å; K334-Y342 HydrophobicContact CG-CD1 4Å; K334-Y342 HydrophobicContact CG-CE1 3.62Å
335K92.8Very high95.7Very high146 Ų14677.8 Ų77.864%0.63537%0.371SS*.PPolyproline II helixtrans-90.3145.7-172.6-63.9-172.1176.9172.50112.8D312 T337D312-K335 WeakPolarHBondContact OD1-CA 3.22Å; D312-K335 VanDerWaalsContact OD1-CB 3.32Å; D312-K335 WeakPolarHBondContact OD1-CB 3.5Å; K335-T337 PolarHBondContact O-N 3.45Å
336N91.2Very high96Very high93 Ų9371.3 Ų71.350%0.49735%0.348SS..SBendtrans43.157.8173.9-166.748000113.9L310 S311 D312L310-N336 WeakPolarHBondContact CB-OD1 3.18Å; L310-N336 PolarHBondContact N-OD1 3.37Å; S311-N336 CarbonylContact O-C 3.52Å; S311-N336 WeakPolarHBondContact O-CA 3.33Å; S311-N336 PolarHBondContact O-N 2.93Å; D312-N336 PolarHBondContact OD1-N 2.95Å
337T93.6Very high96.2Very high33 Ų3369.4 Ų69.420%0.20234%0.341CS..  trans-149.5142.4179-178.10000112.7S311 P313 K334 K335 N339 P340S311-T337 PolarHBondContact O-N 3.27Å; P313-T337 VanDerWaalsContact CD-O 3.26Å; P313-T337 WeakPolarHBondContact CD-O 3.18Å; P313-T337 HydrophobicContact CG-CG2 4.1Å; P313-T337 WeakPolarHBondContact CG-O 3.08Å; K334-T337 HydrophobicContact CB-CG2 3.86Å; K335-T337 PolarHBondContact O-N 3.45Å; T337-N339 PolarHBondContact OG1-N 3.32Å; T337-N339 PolarHBondContact OG1-O 2.87Å; T337-P340 HydrophobicContact CG2-CB 3.93Å
338L93.1Very high96.3Very high39 Ų3965.2 Ų65.220%0.20432%0.323CS..SBendtrans-99.3-1169.5-53.2-178000112.6K300 N301 L302 K304 L310 P340K300-L338 CarbonylContact C-O 3.5Å; N301-L338 PolarHBondContact N-O 2.82Å; L302-L338 HydrophobicContact CB-CB 4.32Å; L302-L338 HydrophobicContact CB-CD2 4.47Å; L302-L338 WeakPolarHBondContact CG-O 3.33Å; L302-L338 PolarHBondContact N-O 2.94Å; L302-L338 WeakPolarHBondContact O-CD2 3.35Å; K304-L338 HydrophobicContact CB-CD1 4.28Å; K304-L338 HydrophobicContact CB-CD2 4.07Å; L310-L338 HydrophobicContact CB-CD2 3.96Å; L310-L338 HydrophobicContact CB-CG 4.1Å; L310-L338 HydrophobicContact CD1-CG 4.46Å; L310-L338 HydrophobicContact CD2-CD1 4.11Å; L310-L338 HydrophobicContact CD2-CG 4.23Å; L310-L338 HydrophobicContact CG-CG 4.5Å; L338-P340 VanDerWaalsContact C-CD 3.47Å
339N95.8Very high96.2Very high91 Ų9165.1 Ų65.149%0.48733%0.325SS..SBendtrans-130.766.2179.1-56.9-67.8000110.7A299 K300 N301 T337A299-N339 CarbonylContact O-C 3.39Å; A299-N339 VanDerWaalsContact O-CA 3.23Å; A299-N339 WeakPolarHBondContact O-CA 3.48Å; K300-N339 WeakPolarHBondContact CA-OD1 3.14Å; K300-N339 WeakPolarHBondContact CB-OD1 3.3Å; N301-N339 PolarHBondContact N-OD1 3.02Å; T337-N339 PolarHBondContact OG1-N 3.32Å; T337-N339 PolarHBondContact OG1-O 2.87Å
340P96.9Very high96.1Very high2 Ų261.4 Ų61.41%0.01331%0.309CS..  trans-77.4127.2-175.230.1-36.7000113.7E298 A299 L302 P313 K334 T337 L338 Y342E298-P340 CarbonylContact C-O 3.59Å; E298-P340 WeakPolarHBondContact CA-O 3.11Å; E298-P340 WeakPolarHBondContact CB-O 3.32Å; A299-P340 HydrophobicContact CB-CG 4.01Å; A299-P340 PolarHBondContact N-O 3.3Å; A299-P340 WeakPolarHBondContact O-CD 3.28Å; L302-P340 HydrophobicContact CD1-CG 3.71Å; P313-P340 HydrophobicContact CB-CG 4.2Å; P313-P340 HydrophobicContact CG-CB 3.84Å; P313-P340 HydrophobicContact CG-CG 3.66Å; K334-P340 HydrophobicContact CB-CB 3.82Å; K334-P340 HydrophobicContact CG-CB 3.75Å; T337-P340 HydrophobicContact CG2-CB 3.93Å; L338-P340 VanDerWaalsContact C-CD 3.47Å; P340-Y342 HydrophobicContact CB-CD2 4.48Å; P340-Y342 HydrophobicContact CB-CE1 4.47Å; P340-Y342 HydrophobicContact CB-CE2 3.69Å; P340-Y342 HydrophobicContact CG-CE2 3.66Å; P340-Y342 WeakPolarHBondContact CG-OH 3.37Å
341Y97.8Very high96Very high139 Ų13957.6 Ų57.655%0.54530%0.297SS..EExtended strand (participates in β ladder)trans-95.5126.5168.8-177.1-95.7000111.5E298 K334 N343E298-Y341 HydrophobicContact CB-CD2 4.11Å; K334-Y341 WeakPolarHBondContact CD-O 3.14Å; K334-Y341 WeakPolarHBondContact CE-O 3.2Å; K334-Y341 PolarHBondContact NZ-O 3.46Å; Y341-N343 HydrophobicContact CE1-CB 3.83Å; Y341-N343 HydrophobicContact CE2-CB 4.49Å
342Y97.5Very high95.6Very high12 Ų1259.9 Ų59.95%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-111.4-60.1-177-59-85.2000112.4I296 L297 P313 Y314 V315 T331 K334 P340 E344I296-Y342 HydrophobicContact CG2-CD2 3.65Å; I296-Y342 HydrophobicContact CG2-CE2 4.28Å; I296-Y342 HydrophobicContact CG2-CG 4Å; L297-Y342 WeakPolarHBondContact O-CA 3.12Å; L297-Y342 PolarHBondContact O-N 2.93Å; P313-Y342 PolarHBondContact O-OH 2.7Å; Y314-Y342 WeakPolarHBondContact CA-OH 3.35Å; V315-Y342 HydrophobicContact CG2-CD2 4.46Å; V315-Y342 HydrophobicContact CG2-CE1 4.4Å; V315-Y342 HydrophobicContact CG2-CE2 3.8Å; T331-Y342 HydrophobicContact CG2-CD1 3.83Å; T331-Y342 HydrophobicContact CG2-CE1 4.27Å; T331-Y342 HydrophobicContact CG2-CG 4.22Å; T331-Y342 WeakPolarHBondContact OG1-CE1 3.32Å; K334-Y342 HydrophobicContact CD-CD1 4.39Å; K334-Y342 HydrophobicContact CD-CE1 4.45Å; K334-Y342 HydrophobicContact CG-CD1 4Å; K334-Y342 HydrophobicContact CG-CE1 3.62Å; P340-Y342 HydrophobicContact CB-CD2 4.48Å; P340-Y342 HydrophobicContact CB-CE1 4.47Å; P340-Y342 HydrophobicContact CB-CE2 3.69Å; P340-Y342 HydrophobicContact CG-CE2 3.66Å; P340-Y342 WeakPolarHBondContact CG-OH 3.37Å; Y342-E344 VanDerWaalsContact C-N 3.3Å; Y342-E344 PolarHBondContact O-N 2.72Å
343N97Very high95.3Very high88 Ų8863.1 Ų63.147%0.47132%0.317SS..EExtended strand (participates in β ladder)trans48.845-166.3-163.618.4000113.9I296 L297 Y341I296-N343 CarbonylContact O-C 3.47Å; I296-N343 WeakPolarHBondContact O-CA 3.38Å; I296-N343 PolarHBondContact O-N 2.9Å; L297-N343 PolarHBondContact O-N 3.36Å; Y341-N343 HydrophobicContact CE1-CB 3.83Å; Y341-N343 HydrophobicContact CE2-CB 4.49Å
344E98.1Very high95Very high36 Ų3664 Ų6417%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-104.2126.3-175.1-69.7-177.4-127.600111.9V295 I296 T331 T332 Y342 F346V295-E344 CarbonylContact C-O 3.58Å; V295-E344 WeakPolarHBondContact CA-O 3.39Å; I296-E344 PolarHBondContact N-O 3.2Å; I296-E344 PolarHBondContact O-N 3.24Å; T331-E344 WeakPolarHBondContact CA-OE2 3.3Å; T331-E344 WeakPolarHBondContact CB-OE1 3.35Å; T331-E344 HydrophobicContact CG2-CB 4.31Å; T332-E344 WeakPolarHBondContact CB-OE1 3.46Å; T332-E344 PolarHBondContact N-OE1 2.92Å; T332-E344 PolarHBondContact N-OE2 3.42Å; T332-E344 PolarHBondContact OG1-OE1 2.85Å; Y342-E344 VanDerWaalsContact C-N 3.3Å; Y342-E344 PolarHBondContact O-N 2.72Å; E344-F346 HydrophobicContact CB-CE2 3.65Å; E344-F346 HydrophobicContact CB-CZ 3.66Å; E344-F346 WeakPolarHBondContact O-CD2 3.47Å; E344-F346 VanDerWaalsContact O-CE2 3.32Å; E344-F346 WeakPolarHBondContact O-CE2 3.49Å
345S97.6Very high94.8Very high78 Ų7861.4 Ų61.455%0.54531%0.309SS..EExtended strand (participates in β ladder)trans-103.2126.4-171.7-175.40000113.1
346F98Very high94.6Very high24 Ų2460.3 Ų60.311%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-125.6128.4-174.7-58.3-71.7000110.8T293 V294 I296 I317 K329 K330 T331 E344 F348T293-F346 CarbonylContact C-O 3.54Å; T293-F346 WeakPolarHBondContact CA-O 3.17Å; V294-F346 PolarHBondContact N-O 2.96Å; V294-F346 PolarHBondContact O-N 3.07Å; I296-F346 HydrophobicContact CB-CE2 4.49Å; I296-F346 HydrophobicContact CG1-CD2 4.2Å; I296-F346 HydrophobicContact CG1-CE2 3.95Å; I317-F346 HydrophobicContact CD1-CB 4.15Å; I317-F346 HydrophobicContact CD1-CD2 3.31Å; I317-F346 HydrophobicContact CD1-CE2 3.89Å; I317-F346 HydrophobicContact CD1-CG 3.86Å; K329-F346 HydrophobicContact CB-CD1 3.91Å; K329-F346 HydrophobicContact CB-CE1 4.4Å; K329-F346 HydrophobicContact CB-CG 4.36Å; K329-F346 HydrophobicContact CD-CB 3.76Å; K329-F346 HydrophobicContact CD-CD1 3.87Å; K329-F346 HydrophobicContact CD-CG 4.19Å; K329-F346 HydrophobicContact CG-CD1 4.4Å; K330-F346 WeakPolarHBondContact O-CE1 3.27Å; K330-F346 WeakPolarHBondContact O-CZ 3.16Å; T331-F346 HydrophobicContact CG2-CE2 3.84Å; T331-F346 HydrophobicContact CG2-CZ 3.87Å; E344-F346 HydrophobicContact CB-CE2 3.65Å; E344-F346 HydrophobicContact CB-CZ 3.66Å; E344-F346 WeakPolarHBondContact O-CD2 3.47Å; E344-F346 VanDerWaalsContact O-CE2 3.32Å; E344-F346 WeakPolarHBondContact O-CE2 3.49Å; F346-F348 HydrophobicContact CB-CE2 4.31Å
347S96.6Very high94.6Very high45 Ų4561.6 Ų61.632%0.31531%0.307SS..EExtended strand (participates in β ladder)trans-112.3138.8178.5-65.70000112.7K291 L292 T293 K329K291-S347 WeakPolarHBondContact CE-OG 3.49Å; L292-S347 CarbonylContact O-C 3.55Å; L292-S347 WeakPolarHBondContact O-CA 3.34Å; T293-S347 PolarHBondContact OG1-OG 3.07Å; K329-S347 WeakPolarHBondContact CE-O 3.26Å
348F96.6Very high94.6Very high2 Ų260.1 Ų60.11%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-125.8139175.9-59.2-92000109.7L292 V294 I317 L319 K327 K329 F346 V350 I360L292-F348 HydrophobicContact CB-CB 4.5Å; L292-F348 PolarHBondContact N-O 2.59Å; L292-F348 PolarHBondContact O-N 2.79Å; V294-F348 HydrophobicContact CG2-CD2 4.25Å; V294-F348 HydrophobicContact CG2-CE2 4.06Å; I317-F348 HydrophobicContact CB-CZ 4.23Å; I317-F348 HydrophobicContact CG2-CE2 3.99Å; I317-F348 HydrophobicContact CG2-CZ 3.71Å; L319-F348 HydrophobicContact CB-CD1 3.88Å; L319-F348 HydrophobicContact CB-CE1 3.97Å; L319-F348 HydrophobicContact CD2-CB 4.4Å; L319-F348 HydrophobicContact CD2-CD1 4.15Å; K327-F348 HydrophobicContact CB-CD1 3.93Å; K327-F348 HydrophobicContact CB-CE1 4.01Å; K327-F348 HydrophobicContact CD-CD1 4.47Å; K329-F348 HydrophobicContact CB-CZ 4.39Å; K329-F348 HydrophobicContact CD-CE1 4.01Å; K329-F348 HydrophobicContact CD-CE2 4.29Å; K329-F348 HydrophobicContact CD-CZ 3.81Å; K329-F348 HydrophobicContact CG-CE1 4.24Å; K329-F348 HydrophobicContact CG-CZ 4.17Å; F346-F348 HydrophobicContact CB-CE2 4.31Å; F348-V350 HydrophobicContact CB-CG2 4.4Å; F348-I360 HydrophobicContact CD2-CD1 4.36Å; F348-I360 HydrophobicContact CE2-CD1 4.35Å
349E95.4Very high94.7Very high134 Ų13458.9 Ų58.963%0.62629%0.291SS*.EExtended strand (participates in β ladder)trans-80.9122164.2-56.899.9173.200110.2G290 K327G290-E349 CarbonylContact O-C 3.56Å; G290-E349 WeakPolarHBondContact O-CA 3.29Å; K327-E349 IonicContact NZ-OE2 3.93Å; K327-E349 PolarHBondContact NZ-OE2 3.29Å
350V94.8Very high94.7Very high2 Ų254.5 Ų54.51%0.01227%0.268CS..  trans-140.8105.7174.6-176.70000108.1Y285 G290 L292 L319 F348 Q354 I355 V358Y285-V350 WeakPolarHBondContact CE2-O 3.45Å; Y285-V350 PolarHBondContact OH-O 3Å; G290-V350 CarbonylContact C-O 3.6Å; G290-V350 WeakPolarHBondContact CA-O 3.31Å; G290-V350 CarbonylContact O-C 3.44Å; G290-V350 PolarHBondContact O-N 2.72Å; G290-V350 VanDerWaalsContact O-O 3.05Å; L292-V350 HydrophobicContact CB-CG2 4.32Å; L292-V350 HydrophobicContact CD2-CG2 4.28Å; L319-V350 HydrophobicContact CD1-CG2 3.98Å; L319-V350 HydrophobicContact CD2-CG2 4.1Å; F348-V350 HydrophobicContact CB-CG2 4.4Å; V350-Q354 HydrophobicContact CG1-CB 4.3Å; V350-I355 HydrophobicContact CB-CD1 4.15Å; V350-I355 HydrophobicContact CG1-CB 4.39Å; V350-I355 HydrophobicContact CG1-CD1 3.65Å; V350-V358 HydrophobicContact CG1-CG1 3.93Å; V350-V358 HydrophobicContact CG1-CG2 3.89Å
351P94.4Very high94.7Very high52 Ų5254.7 Ų54.734%0.33827%0.269SS..  trans-57.5151.8173.3-24.134.6000112.1E353 Q354 I355P351-E353 VanDerWaalsContact C-N 3.26Å; P351-E353 VanDerWaalsContact CB-OE2 3.23Å; P351-E353 WeakPolarHBondContact CB-OE2 3.41Å; P351-E353 PolarHBondContact O-N 3.42Å; P351-Q354 HydrophobicContact CB-CG 4.35Å; P351-Q354 WeakPolarHBondContact O-CA 3.02Å; P351-Q354 WeakPolarHBondContact O-CB 3.41Å; P351-Q354 PolarHBondContact O-N 2.72Å; P351-I355 PolarHBondContact O-N 2.83Å
352F90.7Very high94.8Very high56 Ų5648.1 Ų48.125%0.24624%0.243CC..Hα-helixtrans-64.3-34-172.9-178.9-118.3000112.3V109 Y285 P287 Q354 I355V109-F352 HydrophobicContact CG1-CZ 4.31Å; V109-F352 HydrophobicContact CG2-CE1 4.08Å; V109-F352 HydrophobicContact CG2-CZ 3.76Å; Y285-F352 AromaticContact CE1-CD2 3.95Å; Y285-F352 HydrophobicContact CE1-CD2 3.95Å; Y285-F352 WeakPolarHBondContact OH-CA 3.25Å; Y285-F352 PolarHBondContact OH-N 2.82Å; P287-F352 HydrophobicContact CB-CD2 4.42Å; F352-Q354 PolarHBondContact O-N 2.89Å; F352-I355 HydrophobicContact CD2-CG2 3.81Å; F352-I355 HydrophobicContact CE2-CG2 3.96Å; F352-I355 VanDerWaalsContact O-CG2 3.31Å; F352-I355 WeakPolarHBondContact O-CG2 3.48Å; F352-I355 PolarHBondContact O-N 3.48Å; F352-I355 VanDerWaalsContact O-N 3.15Å
353E91.2Very high94.8Very high141 Ų14147.8 Ų47.866%0.65924%0.242SC*.Hα-helixtrans-64.1-14.1176.4-51.167.9-143.700112.6P351P351-E353 VanDerWaalsContact C-N 3.26Å; P351-E353 VanDerWaalsContact CB-OE2 3.23Å; P351-E353 WeakPolarHBondContact CB-OE2 3.41Å; P351-E353 PolarHBondContact O-N 3.42Å
354Q90.6Very high94.8Very high75 Ų7543.6 Ų43.635%0.3522%0.22SC..Hα-helixtrans-111.4-12.7-179.8-56.4-16925.200113.4V350 P351 F352 Q356 K357 V358V350-Q354 HydrophobicContact CG1-CB 4.3Å; P351-Q354 HydrophobicContact CB-CG 4.35Å; P351-Q354 WeakPolarHBondContact O-CA 3.02Å; P351-Q354 WeakPolarHBondContact O-CB 3.41Å; P351-Q354 PolarHBondContact O-N 2.72Å; F352-Q354 PolarHBondContact O-N 2.89Å; Q354-Q356 PolarHBondContact O-N 2.98Å; Q354-K357 PolarHBondContact O-N 2.83Å; Q354-V358 PolarHBondContact O-N 3.1Å
355I90.5Very high94.7Very high1 Ų142.4 Ų42.41%0.00521%0.214CC..Hα-helixtrans-62.5-29.7-173.1-158.159.6000112.6Y285 L292 V350 P351 F352 K357 V358 W393 L397Y285-I355 HydrophobicContact CD1-CG1 4.45Å; Y285-I355 HydrophobicContact CD2-CD1 3.82Å; Y285-I355 HydrophobicContact CD2-CG1 4.36Å; Y285-I355 HydrophobicContact CE1-CG1 4.25Å; Y285-I355 HydrophobicContact CE2-CD1 3.63Å; Y285-I355 HydrophobicContact CE2-CG1 4.16Å; Y285-I355 HydrophobicContact CG-CD1 4.39Å; L292-I355 HydrophobicContact CD2-CD1 4.38Å; V350-I355 HydrophobicContact CB-CD1 4.15Å; V350-I355 HydrophobicContact CG1-CB 4.39Å; V350-I355 HydrophobicContact CG1-CD1 3.65Å; P351-I355 PolarHBondContact O-N 2.83Å; F352-I355 HydrophobicContact CD2-CG2 3.81Å; F352-I355 HydrophobicContact CE2-CG2 3.96Å; F352-I355 VanDerWaalsContact O-CG2 3.31Å; F352-I355 WeakPolarHBondContact O-CG2 3.48Å; F352-I355 PolarHBondContact O-N 3.48Å; F352-I355 VanDerWaalsContact O-N 3.15Å; I355-K357 VanDerWaalsContact C-N 3.28Å; I355-K357 PolarHBondContact O-N 2.88Å; I355-V358 HydrophobicContact CD1-CG2 4.15Å; I355-W393 HydrophobicContact CD1-CH2 4.11Å; I355-W393 HydrophobicContact CD1-CZ2 3.76Å; I355-W393 HydrophobicContact CG1-CZ2 3.98Å; I355-W393 WeakPolarHBondContact O-CZ2 3.48Å; I355-L397 HydrophobicContact CG1-CD2 3.85Å; I355-L397 HydrophobicContact CG2-CD2 4Å
356Q89.1Confident94.6Very high124 Ų12438.7 Ų38.758%0.57919%0.188SC*.THydrogen-bonded Turntrans-79.9-4175.5-63.6-177-4.200114.1Q354 Y383Q354-Q356 PolarHBondContact O-N 2.98Å; Q356-Y383 WeakPolarHBondContact O-CD2 3.5Å
357K91Very high94.3Very high120 Ų12041.4 Ų41.452%0.52220%0.199SC..THydrogen-bonded Turntrans-118.6-5.4-175.6-61.9173-175.2161.90113.3Q354 I355Q354-K357 PolarHBondContact O-N 2.83Å; I355-K357 VanDerWaalsContact C-N 3.28Å; I355-K357 PolarHBondContact O-N 2.88Å
358V94.3Very high93.9Very high1 Ų141.2 Ų41.21%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-94.7160.6175-62.20000111.5L319 M320 Q321 V350 Q354 I355 Y383 W393L319-V358 HydrophobicContact CD1-CB 3.86Å; L319-V358 HydrophobicContact CD1-CG1 4.05Å; L319-V358 HydrophobicContact CD1-CG2 4.31Å; M320-V358 CarbonylContact O-C 3.44Å; M320-V358 VanDerWaalsContact O-CA 3.26Å; M320-V358 WeakPolarHBondContact O-CA 3.16Å; M320-V358 WeakPolarHBondContact O-CB 3.49Å; Q321-V358 HydrophobicContact CB-CG1 4.37Å; Q321-V358 HydrophobicContact CG-CG1 4.37Å; V350-V358 HydrophobicContact CG1-CG1 3.93Å; V350-V358 HydrophobicContact CG1-CG2 3.89Å; Q354-V358 PolarHBondContact O-N 3.1Å; I355-V358 HydrophobicContact CD1-CG2 4.15Å; V358-Y383 WeakPolarHBondContact O-CB 3.18Å; V358-Y383 PolarHBondContact O-N 3.12Å; V358-W393 HydrophobicContact CG2-CH2 4.01Å; V358-W393 HydrophobicContact CG2-CZ2 3.91Å
359Q94.8Very high93Very high13 Ų1348.3 Ų48.36%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-132.5143.3169.3-49.3160.9-58.100107.8M320 F380 V381 Y383M320-Q359 HydrophobicContact CB-CB 4.15Å; M320-Q359 PolarHBondContact N-O 2.88Å; M320-Q359 PolarHBondContact O-N 3.39Å; Q359-F380 HydrophobicContact CB-CD2 4.48Å; Q359-V381 CarbonylContact C-O 3.57Å; Q359-V381 VanDerWaalsContact CA-O 3.29Å; Q359-V381 WeakPolarHBondContact CA-O 3.47Å; Q359-Y383 WeakPolarHBondContact CG-O 3.3Å; Q359-Y383 PolarHBondContact NE2-O 2.94Å
360I96.9Very high92.2Very high0 Ų049.7 Ų49.70%024%0.235CC..EExtended strand (participates in β ladder)trans-103.4112.4167.1-63.4-66000107L292 V294 I317 L319 F348 V362 F380 V381 W393L292-I360 HydrophobicContact CD2-CD1 3.88Å; L292-I360 HydrophobicContact CD2-CG1 3.86Å; V294-I360 HydrophobicContact CG2-CG2 4.39Å; I317-I360 HydrophobicContact CG2-CG2 3.62Å; L319-I360 HydrophobicContact CB-CD1 4.21Å; L319-I360 HydrophobicContact CD1-CD1 3.67Å; F348-I360 HydrophobicContact CD2-CD1 4.36Å; F348-I360 HydrophobicContact CE2-CD1 4.35Å; I360-V362 HydrophobicContact CG2-CG2 3.98Å; I360-F380 VanDerWaalsContact O-CA 3.32Å; I360-F380 WeakPolarHBondContact O-CA 3.26Å; I360-V381 HydrophobicContact CB-CG2 3.78Å; I360-V381 HydrophobicContact CG2-CG2 4.4Å; I360-V381 PolarHBondContact N-O 3.33Å; I360-V381 PolarHBondContact O-N 2.81Å; I360-W393 HydrophobicContact CG1-CH2 4.24Å; I360-W393 HydrophobicContact CG1-CZ3 3.97Å
361V96.9Very high91.4Very high6 Ų652.9 Ų52.94%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-94.2118173.4-179.70000108.1I317 H318 M320 K378 F380 L420I317-V361 WeakPolarHBondContact CA-O 3.35Å; H318-V361 HydrophobicContact CB-CB 4.39Å; H318-V361 PolarHBondContact N-O 3.47Å; H318-V361 PolarHBondContact O-N 2.9Å; M320-V361 HydrophobicContact CG-CB 4.35Å; M320-V361 HydrophobicContact CG-CG2 3.52Å; V361-K378 HydrophobicContact CG1-CD 3.76Å; V361-K378 HydrophobicContact CG1-CG 3.76Å; V361-F380 HydrophobicContact CB-CB 4.47Å; V361-F380 HydrophobicContact CG2-CB 3.87Å; V361-L420 HydrophobicContact CG1-CD1 4.45Å; V361-L420 HydrophobicContact CG2-CD1 3.67Å; V361-L420 HydrophobicContact CG2-CD2 4.28Å
362V97.9Very high91Very high1 Ų157.2 Ų57.21%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-103128.8175.4-171.80000107.3I279 F281 I296 V315 I360 K378 V379I279-V362 HydrophobicContact CD1-CG1 3.81Å; F281-V362 HydrophobicContact CE1-CG2 4.21Å; F281-V362 HydrophobicContact CZ-CG2 4.23Å; I296-V362 HydrophobicContact CD1-CG1 4.19Å; V315-V362 HydrophobicContact CG1-CG1 3.42Å; V315-V362 VanDerWaalsContact CG1-CG1 3.42Å; I360-V362 HydrophobicContact CG2-CG2 3.98Å; V362-K378 WeakPolarHBondContact O-CA 3.48Å; V362-V379 HydrophobicContact CB-CG1 3.95Å; V362-V379 PolarHBondContact N-O 3.07Å; V362-V379 PolarHBondContact O-N 3.07Å; V362-V379 VanDerWaalsContact O-O 3.06Å
363T97.6Very high90.9Very high5 Ų556.7 Ų56.73%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-131.3123.7-178.2-40.40000108.7V315 K316 L365 K378V315-T363 CarbonylContact C-O 3.47Å; V315-T363 WeakPolarHBondContact CA-O 3.34Å; K316-T363 PolarHBondContact N-O 3.48Å; K316-T363 PolarHBondContact O-N 3.02Å; T363-L365 HydrophobicContact CG2-CD1 3.78Å; T363-L365 HydrophobicContact CG2-CG 4.21Å; T363-K378 HydrophobicContact CG2-CB 4.23Å; T363-K378 HydrophobicContact CG2-CG 4.18Å
364V97.7Very high90.8Very high0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans-93.3129.4172.1-171.90000107.8I279 L302 P313 V315 I376 G377 L410I279-V364 HydrophobicContact CD1-CG2 3.74Å; L302-V364 HydrophobicContact CD1-CG1 4.01Å; L302-V364 HydrophobicContact CD2-CG1 4.07Å; P313-V364 HydrophobicContact CB-CG1 4.39Å; V315-V364 HydrophobicContact CG2-CG2 4.25Å; V364-I376 HydrophobicContact CG1-CB 4.36Å; V364-I376 HydrophobicContact CG1-CD1 4.31Å; V364-I376 PolarHBondContact O-N 2.95Å; V364-G377 PolarHBondContact N-O 3.3Å; V364-G377 PolarHBondContact O-N 3.23Å; V364-L410 HydrophobicContact CB-CD1 4.04Å; V364-L410 HydrophobicContact CG2-CD1 3.76Å; V364-L410 HydrophobicContact CG2-CD2 3.83Å; V364-L410 HydrophobicContact CG2-CG 4.46Å
365L96.4Very high90.9Very high10 Ų1050.6 Ų50.65%0.05226%0.26CS..EExtended strand (participates in β ladder)trans-131153.6179.6-63.9102.2000110.4P313 Y314 K316 T363 D374 A375P313-L365 CarbonylContact C-O 3.47Å; P313-L365 VanDerWaalsContact CA-O 3.31Å; P313-L365 WeakPolarHBondContact CA-O 3.3Å; Y314-L365 HydrophobicContact CD1-CB 4.42Å; Y314-L365 WeakPolarHBondContact CD1-O 3.18Å; Y314-L365 HydrophobicContact CE1-CB 3.97Å; Y314-L365 PolarHBondContact N-O 2.98Å; Y314-L365 PolarHBondContact O-N 3.48Å; K316-L365 HydrophobicContact CB-CD1 4.09Å; K316-L365 HydrophobicContact CD-CD1 3.45Å; K316-L365 VanDerWaalsContact CD-CD1 3.45Å; K316-L365 HydrophobicContact CG-CD1 3.74Å; T363-L365 HydrophobicContact CG2-CD1 3.78Å; T363-L365 HydrophobicContact CG2-CG 4.21Å; L365-D374 CarbonylContact C-O 3.17Å; L365-D374 WeakPolarHBondContact CA-O 3.28Å; L365-D374 WeakPolarHBondContact CB-O 3.12Å; L365-A375 HydrophobicContact CD2-CB 4.06Å; L365-A375 HydrophobicContact CG-CB 4.26Å
366D94.6Very high91.1Very high0 Ų050.8 Ų50.80%026%0.26CS..  trans-81.2156.3166.4-141.6-34000110.9M305 S311 D312 Y314 N373 D374 I376M305-D366 HydrophobicContact CB-CB 4.34Å; M305-D366 VanDerWaalsContact CB-OD2 3.31Å; M305-D366 WeakPolarHBondContact CB-OD2 3.37Å; M305-D366 HydrophobicContact CG-CB 4.14Å; M305-D366 WeakPolarHBondContact CG-OD2 3.3Å; S311-D366 VanDerWaalsContact CA-OD2 3.29Å; S311-D366 WeakPolarHBondContact CA-OD2 3.07Å; S311-D366 WeakPolarHBondContact CB-OD2 3.27Å; S311-D366 PolarHBondContact OG-OD2 2.66Å; D312-D366 WeakPolarHBondContact CA-OD1 3.28Å; D312-D366 PolarHBondContact N-OD1 2.91Å; Y314-D366 WeakPolarHBondContact CE1-O 3.42Å; D366-N373 WeakPolarHBondContact O-CB 3.47Å; D366-N373 PolarHBondContact O-OD1 3.45Å; D366-D374 PolarHBondContact N-O 3Å; D366-I376 HydrophobicContact CB-CD1 4.2Å; D366-I376 HydrophobicContact CB-CG1 4.28Å
367Y92.1Very high91.4Very high81 Ų8144.9 Ų44.932%0.31823%0.233SC..  trans-112.187.6177.7176.3-103.7000111.8D312 Y314 I333 K369 N373D312-Y367 HydrophobicContact CB-CD1 4.49Å; D312-Y367 VanDerWaalsContact O-CB 3.27Å; D312-Y367 WeakPolarHBondContact O-CB 3.45Å; D312-Y367 PolarHBondContact O-N 2.91Å; Y314-Y367 HydrophobicContact CE1-CD2 4.45Å; I333-Y367 HydrophobicContact CD1-CD1 4Å; I333-Y367 HydrophobicContact CD1-CD2 3.72Å; I333-Y367 HydrophobicContact CD1-CE1 4.45Å; I333-Y367 HydrophobicContact CD1-CE2 4.23Å; I333-Y367 HydrophobicContact CD1-CG 3.64Å; I333-Y367 HydrophobicContact CG1-CG 4.28Å; I333-Y367 HydrophobicContact CG2-CD1 4.18Å; I333-Y367 HydrophobicContact CG2-CG 4.17Å; Y367-K369 HydrophobicContact CE1-CG 4.06Å; Y367-K369 PolarHBondContact O-N 3.32Å; Y367-N373 VanDerWaalsContact CD2-OD1 3.27Å; Y367-N373 WeakPolarHBondContact CD2-OD1 3.49Å
368D87.6Confident91.6Very high42 Ų4239.3 Ų39.323%0.22521%0.209CC..  trans-67.5122170.6-55.1-86.2000111.6I370 N373 D374D368-I370 PolarHBondContact O-N 2.88Å; D368-N373 WeakPolarHBondContact OD2-CA 3.39Å; D368-N373 PolarHBondContact OD2-N 2.94Å; D368-D374 PolarHBondContact OD2-N 3.34Å
369K79.3Confident91.7Very high151 Ų15139.3 Ų39.366%0.65721%0.209SC*.SBendtrans-67-26.7172.6-64.9165.2-167.2140.90112.3D312 Y367D312-K369 IonicContact OD2-NZ 3.26Å; Y367-K369 HydrophobicContact CE1-CG 4.06Å; Y367-K369 PolarHBondContact O-N 3.32Å
370I78.4Confident91.7Very high162 Ų16239.1 Ų39.183%0.83121%0.208SC*.SBendtrans-136.9116.8-179.2-58.7176.4000106.9D368D368-I370 PolarHBondContact O-N 2.88Å
371G77.8Confident91.7Very high70 Ų7039.2 Ų39.272%0.72221%0.208SC*.SBendtrans113.5-145.1-178.900000113.2
372K85.8Confident91.4Very high143 Ų14339 Ų3962%0.62221%0.208SC*.  trans-126101.8-172.4167.5-121.5157.3-147.40110.2D374K372-D374 IonicContact NZ-OD1 2.72Å; K372-D374 PolarHBondContact NZ-OD1 2.95Å; K372-D374 PolarHBondContact O-N 3.38Å
373N88.9Confident90.9Very high44 Ų4444.6 Ų44.624%0.23523%0.23CC..  trans-16.9101.2162.1-60.5-107.8000114.1Y314 D366 Y367 D368Y314-N373 WeakPolarHBondContact CE1-OD1 3.49Å; Y314-N373 VanDerWaalsContact OH-CG 3.32Å; Y314-N373 PolarHBondContact OH-OD1 3.46Å; D366-N373 WeakPolarHBondContact O-CB 3.47Å; D366-N373 PolarHBondContact O-OD1 3.45Å; Y367-N373 VanDerWaalsContact CD2-OD1 3.27Å; Y367-N373 WeakPolarHBondContact CD2-OD1 3.49Å; D368-N373 WeakPolarHBondContact OD2-CA 3.39Å; D368-N373 PolarHBondContact OD2-N 2.94Å
374D88.9Confident90.3Very high66 Ų6646.7 Ų46.735%0.35324%0.241SC..  trans-82.9154.8178.8-84.7-27.1000113.5M305 L365 D366 D368 K372M305-D374 HydrophobicContact CE-CB 4.03Å; L365-D374 CarbonylContact C-O 3.17Å; L365-D374 WeakPolarHBondContact CA-O 3.28Å; L365-D374 WeakPolarHBondContact CB-O 3.12Å; D366-D374 PolarHBondContact N-O 3Å; D368-D374 PolarHBondContact OD2-N 3.34Å; K372-D374 IonicContact NZ-OD1 2.72Å; K372-D374 PolarHBondContact NZ-OD1 2.95Å; K372-D374 PolarHBondContact O-N 3.38Å
375A93.2Very high89.9Confident23 Ų2347 Ų4719%0.1924%0.243CC..EExtended strand (participates in β ladder)trans-91.4116.4-179.800000110.4L365 E413L365-A375 HydrophobicContact CD2-CB 4.06Å; L365-A375 HydrophobicContact CG-CB 4.26Å; A375-E413 HydrophobicContact CB-CB 4.08Å; A375-E413 HydrophobicContact CB-CG 4.45Å; A375-E413 VanDerWaalsContact CB-OE2 3.27Å; A375-E413 WeakPolarHBondContact CB-OE2 3.44Å
376I93.6Very high89.4Confident4 Ų450 Ų502%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-71.3-41174.2-60178000109.2L276 L302 K303 M305 P313 V364 D366L276-I376 WeakPolarHBondContact CD2-O 3.37Å; L276-I376 WeakPolarHBondContact O-CG2 3.47Å; L302-I376 HydrophobicContact CB-CG2 4.35Å; L302-I376 HydrophobicContact CD1-CD1 4.49Å; L302-I376 HydrophobicContact CD2-CG2 4.27Å; K303-I376 HydrophobicContact CB-CG2 4.17Å; M305-I376 HydrophobicContact CG-CD1 4.45Å; M305-I376 HydrophobicContact CG-CG1 3.87Å; M305-I376 HydrophobicContact SD-CG1 4.4Å; P313-I376 HydrophobicContact CB-CD1 4.34Å; V364-I376 HydrophobicContact CG1-CB 4.36Å; V364-I376 HydrophobicContact CG1-CD1 4.31Å; V364-I376 PolarHBondContact O-N 2.95Å; D366-I376 HydrophobicContact CB-CD1 4.2Å; D366-I376 HydrophobicContact CB-CG1 4.28Å
377G94.9Very high89.3Confident1 Ų152.9 Ų52.91%0.0129%0.292CS..EExtended strand (participates in β ladder)trans177.6172.417500000114V364 Q411V364-G377 PolarHBondContact N-O 3.3Å; V364-G377 PolarHBondContact O-N 3.23Å; G377-Q411 WeakPolarHBondContact CA-O 3.43Å
378K95.6Very high89.3Confident2 Ų251.1 Ų51.11%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-139.3152.1-172-164.4-179.1-67.5162.90111.1V361 V362 T363 Q411 E413 V416 D417V361-K378 HydrophobicContact CG1-CD 3.76Å; V361-K378 HydrophobicContact CG1-CG 3.76Å; V362-K378 WeakPolarHBondContact O-CA 3.48Å; T363-K378 HydrophobicContact CG2-CB 4.23Å; T363-K378 HydrophobicContact CG2-CG 4.18Å; K378-Q411 PolarHBondContact N-O 3.05Å; K378-Q411 PolarHBondContact O-N 2.8Å; K378-E413 WeakPolarHBondContact CE-OE1 3.37Å; K378-E413 VanDerWaalsContact NZ-CG 3.3Å; K378-E413 PolarHBondContact NZ-O 3.16Å; K378-E413 IonicContact NZ-OE1 2.73Å; K378-E413 PolarHBondContact NZ-OE1 3.3Å; K378-V416 HydrophobicContact CB-CB 4.2Å; K378-V416 HydrophobicContact CB-CG1 4.33Å; K378-V416 HydrophobicContact CB-CG2 4.25Å; K378-V416 HydrophobicContact CD-CB 3.85Å; K378-V416 HydrophobicContact CD-CG1 3.52Å; K378-V416 HydrophobicContact CG-CB 4.17Å; K378-V416 HydrophobicContact CG-CG1 3.79Å; K378-D417 IonicContact NZ-OD1 2.74Å; K378-D417 PolarHBondContact NZ-OD1 3.37Å; K378-D417 IonicContact NZ-OD2 2.64Å; K378-D417 PolarHBondContact NZ-OD2 3.32Å
379V96.2Very high89.6Confident2 Ų250.7 Ų50.71%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-146.9156.6168.664.10000109.4I279 F281 V362 E389 H408I279-V379 HydrophobicContact CG2-CG1 4.17Å; F281-V379 HydrophobicContact CE1-CG1 4.26Å; V362-V379 HydrophobicContact CB-CG1 3.95Å; V362-V379 PolarHBondContact N-O 3.07Å; V362-V379 PolarHBondContact O-N 3.07Å; V362-V379 VanDerWaalsContact O-O 3.06Å; V379-E389 HydrophobicContact CG2-CG 3.47Å; V379-E389 VanDerWaalsContact CG2-CG 3.47Å; V379-E389 WeakPolarHBondContact CG2-OE1 3.31Å; V379-H408 HydrophobicContact CG1-CB 4.43Å; V379-H408 HydrophobicContact CG2-CB 4.13Å
380F96.1Very high90.3Very high9 Ų947.2 Ų47.24%0.03928%0.278CS..EExtended strand (participates in β ladder)trans-138.7135.1174.779.5-75.4000112.7Q359 I360 V361 E389 V416 M419 L420Q359-F380 HydrophobicContact CB-CD2 4.48Å; I360-F380 VanDerWaalsContact O-CA 3.32Å; I360-F380 WeakPolarHBondContact O-CA 3.26Å; V361-F380 HydrophobicContact CB-CB 4.47Å; V361-F380 HydrophobicContact CG2-CB 3.87Å; F380-E389 WeakPolarHBondContact O-CB 3.45Å; F380-E389 WeakPolarHBondContact O-CG 3.46Å; F380-V416 HydrophobicContact CD1-CG1 3.77Å; F380-V416 HydrophobicContact CE1-CG1 4.5Å; F380-M419 HydrophobicContact CE1-CB 4.11Å; F380-M419 HydrophobicContact CE1-CE 3.93Å; F380-M419 HydrophobicContact CE1-SD 4.18Å; F380-M419 HydrophobicContact CZ-CB 4.38Å; F380-M419 HydrophobicContact CZ-CE 4.15Å; F380-L420 HydrophobicContact CB-CD2 4.34Å; F380-L420 HydrophobicContact CD1-CD2 4.39Å; F380-L420 HydrophobicContact CD2-CD2 3.69Å; F380-L420 HydrophobicContact CE2-CD2 4.05Å; F380-L420 HydrophobicContact CG-CD2 3.88Å; F380-L420 HydrophobicContact CG-CG 4.5Å
381V95.6Very high91Very high1 Ų147.6 Ų47.61%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-113.9152.9176.2-62.80000110.4F281 L283 Q359 I360 E389 W393F281-V381 HydrophobicContact CE2-CG1 4.28Å; F281-V381 HydrophobicContact CE2-CG2 4.4Å; F281-V381 HydrophobicContact CZ-CG1 3.86Å; L283-V381 HydrophobicContact CD1-CG2 4.06Å; Q359-V381 CarbonylContact C-O 3.57Å; Q359-V381 VanDerWaalsContact CA-O 3.29Å; Q359-V381 WeakPolarHBondContact CA-O 3.47Å; I360-V381 HydrophobicContact CB-CG2 3.78Å; I360-V381 HydrophobicContact CG2-CG2 4.4Å; I360-V381 PolarHBondContact N-O 3.33Å; I360-V381 PolarHBondContact O-N 2.81Å; V381-E389 HydrophobicContact CG1-CB 3.95Å; V381-E389 HydrophobicContact CG1-CG 4.32Å; V381-W393 HydrophobicContact CB-CE3 4.04Å; V381-W393 HydrophobicContact CG2-CE3 3.77Å; V381-W393 HydrophobicContact CG2-CZ3 3.96Å
382G91.7Very high91.9Very high3 Ų344.2 Ų44.23%0.03124%0.235CC..EExtended strand (participates in β ladder)trans107-143.5179.900000113.6N384 S385G382-N384 PolarHBondContact O-N 2.85Å; G382-S385 PolarHBondContact N-OG 3.39Å; G382-S385 WeakPolarHBondContact O-CB 3.46Å; G382-S385 PolarHBondContact O-N 3.42Å; G382-S385 VanDerWaalsContact O-N 3.13Å; G382-S385 PolarHBondContact O-OG 3.41Å
383Y87.1Confident92.4Very high117 Ų11738 Ų3846%0.45921%0.207SC..THydrogen-bonded Turntrans-55.5134.8-172.6-174.1-119.2000112.4Q356 V358 Q359 S385Q356-Y383 WeakPolarHBondContact O-CD2 3.5Å; V358-Y383 WeakPolarHBondContact O-CB 3.18Å; V358-Y383 PolarHBondContact O-N 3.12Å; Q359-Y383 WeakPolarHBondContact CG-O 3.3Å; Q359-Y383 PolarHBondContact NE2-O 2.94Å; Y383-S385 PolarHBondContact O-N 3.31Å; Y383-S385 VanDerWaalsContact O-N 3.12Å
384N84.7Confident92.7Very high50 Ų5037.7 Ų37.727%0.26721%0.209SC..THydrogen-bonded Turntrans60.110.1-178.1-69.7-25.8000117.3G382 K423G382-N384 PolarHBondContact O-N 2.85Å; N384-K423 HydrophobicContact CB-CD 3.69Å; N384-K423 WeakPolarHBondContact ND2-CB 3.38Å; N384-K423 PolarHBondContact O-NZ 2.74Å
385S89.1Confident92.9Very high7 Ų737.1 Ų37.15%0.04921%0.206CC..  trans-68.7165.4166.963.70000111.4G382 Y383 L390G382-S385 PolarHBondContact N-OG 3.39Å; G382-S385 WeakPolarHBondContact O-CB 3.46Å; G382-S385 PolarHBondContact O-N 3.42Å; G382-S385 VanDerWaalsContact O-N 3.13Å; G382-S385 PolarHBondContact O-OG 3.41Å; Y383-S385 PolarHBondContact O-N 3.31Å; Y383-S385 VanDerWaalsContact O-N 3.12Å; S385-L390 WeakPolarHBondContact OG-CA 3.36Å; S385-L390 PolarHBondContact OG-N 2.64Å
386T87.3Confident93.1Very high72 Ų7236 Ų3644%0.44220%0.197SC..  trans-132.7177.7-176.542.60000109.8A388 E389 L390T386-A388 PolarHBondContact O-N 3.1Å; T386-E389 WeakPolarHBondContact O-CB 3.39Å; T386-E389 PolarHBondContact O-N 2.87Å; T386-E389 VanDerWaalsContact O-OE2 3.08Å; T386-L390 PolarHBondContact O-N 3.14Å
387G91.8Very high93Very high61 Ų6138.2 Ų38.263%0.62921%0.208SC*.Hα-helixtrans51.5-130.8165.600000115.8E389 R391G387-E389 VanDerWaalsContact C-N 3.33Å; G387-R391 PolarHBondContact O-N 3.46Å; G387-R391 VanDerWaalsContact O-N 3.17Å
388A91.9Very high93Very high44 Ų4440.8 Ų40.836%0.36423%0.23SC..Hα-helixtrans-69.4-31.6-176.900000112.4T386 R391 H392 Q406T386-A388 PolarHBondContact O-N 3.1Å; A388-R391 PolarHBondContact O-N 3.33Å; A388-H392 WeakPolarHBondContact O-CB 3.28Å; A388-H392 PolarHBondContact O-N 3.04Å; A388-Q406 PolarHBondContact O-NE2 3.31Å
389E94Very high92.8Very high33 Ų3343.2 Ų43.215%0.15424%0.243CC..Hα-helixtrans-67.3-43.4179.5-64.179.7177.200111.6V379 F380 V381 T386 G387 W393V379-E389 HydrophobicContact CG2-CG 3.47Å; V379-E389 VanDerWaalsContact CG2-CG 3.47Å; V379-E389 WeakPolarHBondContact CG2-OE1 3.31Å; F380-E389 WeakPolarHBondContact O-CB 3.45Å; F380-E389 WeakPolarHBondContact O-CG 3.46Å; V381-E389 HydrophobicContact CG1-CB 3.95Å; V381-E389 HydrophobicContact CG1-CG 4.32Å; T386-E389 WeakPolarHBondContact O-CB 3.39Å; T386-E389 PolarHBondContact O-N 2.87Å; T386-E389 VanDerWaalsContact O-OE2 3.08Å; G387-E389 VanDerWaalsContact C-N 3.33Å; E389-W393 PolarHBondContact O-N 3.29Å
390L93.4Very high92.5Very high77 Ų7746 Ų4640%0.40326%0.261SS..Hα-helixtrans-68.1-43174.6-179.360.3000111.1S385 T386 H392 W393 S394S385-L390 WeakPolarHBondContact OG-CA 3.36Å; S385-L390 PolarHBondContact OG-N 2.64Å; T386-L390 PolarHBondContact O-N 3.14Å; L390-H392 PolarHBondContact O-N 3.26Å; L390-W393 PolarHBondContact O-N 3.45Å; L390-S394 PolarHBondContact O-N 3.41Å; L390-S394 PolarHBondContact O-OG 3.12Å
391R94.4Very high92.2Very high170 Ų17053.8 Ų53.864%0.64229%0.29SS*.Hα-helixtrans-56.6-49.3175.4179.2176.3175.6167.41.7111.4G387 A388 W393 S394 D395G387-R391 PolarHBondContact O-N 3.46Å; G387-R391 VanDerWaalsContact O-N 3.17Å; A388-R391 PolarHBondContact O-N 3.33Å; R391-W393 VanDerWaalsContact C-N 3.28Å; R391-W393 PolarHBondContact O-N 2.97Å; R391-S394 PolarHBondContact O-N 2.72Å; R391-D395 WeakPolarHBondContact CG-OD2 3.4Å; R391-D395 IonicContact NE-OD2 3Å; R391-D395 WeakPolarHBondContact O-CB 3.49Å; R391-D395 PolarHBondContact O-N 3.3Å
392H96.7Very high92Very high0 Ų061.8 Ų61.80%032%0.32CS..Hα-helixtrans-59.5-39179.8-167.8-162.2000112.6F281 L283 A388 L390 M396 I404 A405 Q406 H408F281-H392 AromaticContact CD2-CE1 2.88Å; F281-H392 WeakPolarHBondContact CD2-CE1 3.31Å; F281-H392 AromaticContact CE2-CE1 3.03Å; F281-H392 WeakPolarHBondContact CE2-CE1 3.46Å; F281-H392 AromaticContact CE2-ND1 3.57Å; F281-H392 AromaticContact CG-CE1 3.64Å; F281-H392 AromaticContact CZ-CE1 3.89Å; F281-H392 PolarHBondContact O-CE1 3.01Å; L283-H392 WeakPolarHBondContact CD1-ND1 3.38Å; L283-H392 PolarHBondContact N-NE2 3.2Å; A388-H392 WeakPolarHBondContact O-CB 3.28Å; A388-H392 PolarHBondContact O-N 3.04Å; L390-H392 PolarHBondContact O-N 3.26Å; H392-M396 WeakPolarHBondContact O-CB 3.21Å; H392-M396 PolarHBondContact O-N 2.86Å; H392-I404 PolarHBondContact NE2-O 3.5Å; H392-A405 WeakPolarHBondContact NE2-CA 3.47Å; H392-A405 PolarHBondContact NE2-N 3.49Å; H392-Q406 HydrophobicContact CB-CB 4.43Å; H392-H408 AromaticContact CE1-NE2 3.9Å; H392-H408 AromaticContact CG-CE1 3.94Å; H392-H408 AromaticContact CG-NE2 3.6Å; H392-H408 AromaticContact ND1-CE1 3.57Å; H392-H408 AromaticContact ND1-NE2 2.88Å; H392-H408 PolarHBondContact ND1-NE2 3.46Å
393W95.7Very high92.2Very high11 Ų1165.4 Ų65.44%0.04234%0.343CS..Hα-helixtrans-69.6-42.1176.9-165.7-98.6000112.6L283 L292 I355 V358 I360 V381 E389 L390 R391 M396 L397L283-W393 HydrophobicContact CD1-CE3 3.97Å; L283-W393 HydrophobicContact CD1-CZ3 4.49Å; L292-W393 HydrophobicContact CD2-CH2 3.81Å; L292-W393 HydrophobicContact CD2-CZ3 4.23Å; I355-W393 HydrophobicContact CD1-CH2 4.11Å; I355-W393 HydrophobicContact CD1-CZ2 3.76Å; I355-W393 HydrophobicContact CG1-CZ2 3.98Å; I355-W393 WeakPolarHBondContact O-CZ2 3.48Å; V358-W393 HydrophobicContact CG2-CH2 4.01Å; V358-W393 HydrophobicContact CG2-CZ2 3.91Å; I360-W393 HydrophobicContact CG1-CH2 4.24Å; I360-W393 HydrophobicContact CG1-CZ3 3.97Å; V381-W393 HydrophobicContact CB-CE3 4.04Å; V381-W393 HydrophobicContact CG2-CE3 3.77Å; V381-W393 HydrophobicContact CG2-CZ3 3.96Å; E389-W393 PolarHBondContact O-N 3.29Å; L390-W393 PolarHBondContact O-N 3.45Å; R391-W393 VanDerWaalsContact C-N 3.28Å; R391-W393 PolarHBondContact O-N 2.97Å; W393-M396 HydrophobicContact CD2-CE 3.61Å; W393-M396 HydrophobicContact CE3-CE 3.74Å; W393-M396 HydrophobicContact CE3-SD 4.38Å; W393-M396 HydrophobicContact CG-CE 4.22Å; W393-M396 HydrophobicContact CH2-CE 4.07Å; W393-M396 HydrophobicContact CZ2-CE 3.94Å; W393-M396 HydrophobicContact CZ3-CE 3.97Å; W393-M396 HydrophobicContact CZ3-SD 4.42Å; W393-M396 PolarHBondContact O-N 3.46Å; W393-L397 WeakPolarHBondContact O-CG 3.5Å; W393-L397 PolarHBondContact O-N 2.89Å; W393-L397 VanDerWaalsContact O-N 3.09Å
394S94.1Very high92.6Very high38 Ų3861.7 Ų61.727%0.26633%0.331SS..Hα-helixtrans-64.1-44.6174.6-690000111.9L390 R391 M396 L397 A398L390-S394 PolarHBondContact O-N 3.41Å; L390-S394 PolarHBondContact O-OG 3.12Å; R391-S394 PolarHBondContact O-N 2.72Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-M396 PolarHBondContact O-N 3.14Å; S394-L397 PolarHBondContact O-N 2.95Å; S394-L397 VanDerWaalsContact O-N 3.13Å; S394-A398 WeakPolarHBondContact O-CB 3.46Å; S394-A398 PolarHBondContact O-N 2.82Å
395D94.5Very high93.2Very high55 Ų5562.2 Ų62.229%0.29434%0.342SS..Hα-helixtrans-63.4-38177.5-78-32.2000111.7R391 N399 I404R391-D395 WeakPolarHBondContact CG-OD2 3.4Å; R391-D395 IonicContact NE-OD2 3Å; R391-D395 WeakPolarHBondContact O-CB 3.49Å; R391-D395 PolarHBondContact O-N 3.3Å; D395-N399 WeakPolarHBondContact O-CB 3.45Å; D395-N399 PolarHBondContact O-N 3.41Å; D395-N399 PolarHBondContact O-ND2 2.84Å; D395-I404 HydrophobicContact CB-CG1 4.46Å; D395-I404 HydrophobicContact CB-CG2 4.17Å
396M96Very high93.6Very high0 Ų063.6 Ų63.60%035%0.348CS..Hα-helixtrans-60.7-43171.2176.5-157.964.100112.2L283 L292 H392 W393 S394L283-M396 HydrophobicContact CB-CB 4.03Å; L283-M396 HydrophobicContact CB-CG 3.85Å; L283-M396 HydrophobicContact CB-SD 3.69Å; L283-M396 HydrophobicContact CD1-SD 4.25Å; L283-M396 HydrophobicContact CG-SD 4.45Å; L292-M396 HydrophobicContact CD1-CE 4.39Å; L292-M396 HydrophobicContact CD1-SD 3.44Å; L292-M396 WeakPolarHBondContact CD1-SD 3.28Å; H392-M396 WeakPolarHBondContact O-CB 3.21Å; H392-M396 PolarHBondContact O-N 2.86Å; W393-M396 HydrophobicContact CD2-CE 3.61Å; W393-M396 HydrophobicContact CE3-CE 3.74Å; W393-M396 HydrophobicContact CE3-SD 4.38Å; W393-M396 HydrophobicContact CG-CE 4.22Å; W393-M396 HydrophobicContact CH2-CE 4.07Å; W393-M396 HydrophobicContact CZ2-CE 3.94Å; W393-M396 HydrophobicContact CZ3-CE 3.97Å; W393-M396 HydrophobicContact CZ3-SD 4.42Å; W393-M396 PolarHBondContact O-N 3.46Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-M396 PolarHBondContact O-N 3.14Å
397L93.3Very high94Very high49 Ų4964.6 Ų64.626%0.25734%0.344SS..Hα-helixtrans-72.4-37.3-179.9-71174.9000112.4Y285 I355 W393 S394 N399Y285-L397 HydrophobicContact CD1-CD2 4.29Å; I355-L397 HydrophobicContact CG1-CD2 3.85Å; I355-L397 HydrophobicContact CG2-CD2 4Å; W393-L397 WeakPolarHBondContact O-CG 3.5Å; W393-L397 PolarHBondContact O-N 2.89Å; W393-L397 VanDerWaalsContact O-N 3.09Å; S394-L397 PolarHBondContact O-N 2.95Å; S394-L397 VanDerWaalsContact O-N 3.13Å; L397-N399 VanDerWaalsContact C-N 3.31Å; L397-N399 PolarHBondContact O-N 3.07Å
398A93.3Very high94.2Very high56 Ų5661.8 Ų61.846%0.46331%0.314SS..Hα-helixtrans-70.1-25.2176.600000113.1S394 P400S394-A398 WeakPolarHBondContact O-CB 3.46Å; S394-A398 PolarHBondContact O-N 2.82Å; A398-P400 WeakPolarHBondContact O-CD 3.43Å
399N92.6Very high94.4Very high52 Ų5263.1 Ų63.128%0.27832%0.318SS..SBendtrans-113.259.9-178.7-66.8-86.6000112.8D395 L397 R401 R402 I404D395-N399 WeakPolarHBondContact O-CB 3.45Å; D395-N399 PolarHBondContact O-N 3.41Å; D395-N399 PolarHBondContact O-ND2 2.84Å; L397-N399 VanDerWaalsContact C-N 3.31Å; L397-N399 PolarHBondContact O-N 3.07Å; N399-R401 PolarHBondContact O-N 2.89Å; N399-R402 HydrophobicContact CB-CB 4.23Å; N399-R402 PolarHBondContact O-N 3.43Å; N399-I404 HydrophobicContact CB-CD1 3.94Å; N399-I404 HydrophobicContact CB-CG1 4.33Å
400P89.6Confident94.4Very high62 Ų6261.8 Ų61.840%0.40331%0.312SS..THydrogen-bonded Turntrans-59.6137.8-174.326.6-35.5000111.9P287 A398 R402P287-P400 HydrophobicContact CG-CB 4.29Å; A398-P400 WeakPolarHBondContact O-CD 3.43Å; P400-R402 PolarHBondContact O-N 3.12Å
401R89.6Confident94.4Very high172 Ų17261 Ų6165%0.64931%0.306SS*.THydrogen-bonded Turntrans69.9-0.9-173.8-50.9172.6-70.7176.9-3116R284 Y285 V286 N399R284-R401 VanDerWaalsContact CZ-O 3.27Å; R284-R401 PolarHBondContact NE-O 2.83Å; R284-R401 PolarHBondContact NH2-O 3.01Å; Y285-R401 PolarHBondContact O-N 2.8Å; V286-R401 HydrophobicContact CG1-CG 4.21Å; V286-R401 HydrophobicContact CG2-CG 4.23Å; N399-R401 PolarHBondContact O-N 2.89Å
402R91.9Very high94.2Very high168 Ų16854.7 Ų54.763%0.63429%0.287SS*.SBendtrans-97.6143.7168.7-66.2-176.9168.9-172.3-6110.7N399 P400N399-R402 HydrophobicContact CB-CB 4.23Å; N399-R402 PolarHBondContact O-N 3.43Å; P400-R402 PolarHBondContact O-N 3.12Å
403P95Very high94Very high80 Ų8058.2 Ų58.252%0.51930%0.304SS..  trans-78.9131.716532.4-30.2000110.1L283 R284L283-P403 WeakPolarHBondContact O-CA 3.37Å; R284-P403 HydrophobicContact CB-CB 4.21Å
404I96.8Very high93.6Very high38 Ų3865.6 Ų65.620%0.19534%0.339CS..EExtended strand (participates in β ladder)trans-108.4119.7169-54.9-57.9000107.2S282 L283 H392 D395 N399S282-I404 CarbonylContact C-O 3.36Å; S282-I404 WeakPolarHBondContact CA-O 3.42Å; S282-I404 WeakPolarHBondContact CB-O 3.25Å; L283-I404 PolarHBondContact N-O 2.92Å; L283-I404 PolarHBondContact O-N 2.75Å; H392-I404 PolarHBondContact NE2-O 3.5Å; D395-I404 HydrophobicContact CB-CG1 4.46Å; D395-I404 HydrophobicContact CB-CG2 4.17Å; N399-I404 HydrophobicContact CB-CD1 3.94Å; N399-I404 HydrophobicContact CB-CG1 4.33Å
405A96.6Very high93.3Very high61 Ų6168.2 Ų68.250%0.50435%0.347SS..EExtended strand (participates in β ladder)trans-97.4137175.600000110.4L297 H392L297-A405 HydrophobicContact CD1-CB 3.94Å; H392-A405 WeakPolarHBondContact NE2-CA 3.47Å; H392-A405 PolarHBondContact NE2-N 3.49Å
406Q96.3Very high93Very high37 Ų3765.8 Ų65.817%0.17333%0.334CS..EExtended strand (participates in β ladder)trans-149.8148.9178.6-154.7-174.3-73.400111.2F281 A388 H392 H408F281-Q406 PolarHBondContact N-O 3.05Å; F281-Q406 PolarHBondContact O-N 3.05Å; A388-Q406 PolarHBondContact O-NE2 3.31Å; H392-Q406 HydrophobicContact CB-CB 4.43Å; Q406-H408 PolarHBondContact NE2-CE1 3.4Å
407W97.4Very high92.7Very high92 Ų9268.3 Ų68.335%0.34835%0.347SS..EExtended strand (participates in β ladder)trans-82.5145.7167.1-72.296.4000110.9D278 I279 C280 E298 K300D278-W407 HydrophobicContact CB-CE3 3.62Å; D278-W407 HydrophobicContact CB-CZ3 4Å; I279-W407 WeakPolarHBondContact O-CA 3.42Å; C280-W407 HydrophobicContact CB-CD2 3.7Å; C280-W407 HydrophobicContact CB-CE3 3.69Å; C280-W407 HydrophobicContact CB-CG 4.38Å; C280-W407 HydrophobicContact CB-CH2 3.83Å; C280-W407 HydrophobicContact CB-CZ2 3.84Å; C280-W407 HydrophobicContact CB-CZ3 3.76Å; E298-W407 HydrophobicContact CG-CH2 3.83Å; E298-W407 HydrophobicContact CG-CZ2 4.24Å; E298-W407 VanDerWaalsContact OE1-CZ2 3.24Å; E298-W407 WeakPolarHBondContact OE1-CZ2 3.34Å; K300-W407 HydrophobicContact CB-CH2 4.18Å; K300-W407 HydrophobicContact CB-CZ3 4.26Å; K300-W407 HydrophobicContact CD-CE3 4.32Å; K300-W407 HydrophobicContact CD-CH2 3.57Å; K300-W407 HydrophobicContact CD-CZ2 4.14Å; K300-W407 HydrophobicContact CD-CZ3 3.68Å; K300-W407 HydrophobicContact CG-CE3 4.46Å; K300-W407 HydrophobicContact CG-CH2 3.83Å; K300-W407 HydrophobicContact CG-CZ3 3.61Å
408H96Very high92.4Very high3 Ų368.3 Ų68.31%0.01436%0.355CS..EExtended strand (participates in β ladder)trans-139133.1172.9-60.6-91.8000109.7D278 I279 F281 V379 H392 Q406D278-H408 CarbonylContact C-O 3.59Å; D278-H408 WeakPolarHBondContact CA-O 3.21Å; I279-H408 HydrophobicContact CG2-CB 4.42Å; I279-H408 PolarHBondContact N-O 3Å; I279-H408 PolarHBondContact O-N 3.46Å; F281-H408 HydrophobicContact CE1-CB 4.36Å; F281-H408 AromaticContact CE1-CD2 3.27Å; F281-H408 WeakPolarHBondContact CE1-CD2 3.47Å; F281-H408 AromaticContact CE1-CG 3.95Å; F281-H408 AromaticContact CE1-NE2 3.91Å; F281-H408 AromaticContact CZ-CD2 3.44Å; F281-H408 VanDerWaalsContact CZ-CD2 3.44Å; F281-H408 WeakPolarHBondContact CZ-CD2 3.16Å; F281-H408 AromaticContact CZ-NE2 3.57Å; V379-H408 HydrophobicContact CG1-CB 4.43Å; V379-H408 HydrophobicContact CG2-CB 4.13Å; H392-H408 AromaticContact CE1-NE2 3.9Å; H392-H408 AromaticContact CG-CE1 3.94Å; H392-H408 AromaticContact CG-NE2 3.6Å; H392-H408 AromaticContact ND1-CE1 3.57Å; H392-H408 AromaticContact ND1-NE2 2.88Å; H392-H408 PolarHBondContact ND1-NE2 3.46Å; Q406-H408 PolarHBondContact NE2-CE1 3.4Å
409T94.6Very high92Very high71 Ų7169.1 Ų69.144%0.43635%0.35SS..EExtended strand (participates in β ladder)trans-80.3131177-57.10000110.1D278D278-T409 WeakPolarHBondContact OD1-CA 3.36Å; D278-T409 WeakPolarHBondContact OD1-CB 3.42Å; D278-T409 PolarHBondContact OD1-OG1 3.1Å
410L95.1Very high91.7Very high5 Ų567.5 Ų67.53%0.02634%0.341CS..  trans-71.9133.7-176.9-65173.1000111.2L276 G277 I279 L302 V364L276-L410 HydrophobicContact CB-CB 3.88Å; G277-L410 VanDerWaalsContact O-CB 3.32Å; G277-L410 WeakPolarHBondContact O-CB 3.48Å; G277-L410 WeakPolarHBondContact O-CG 3.22Å; G277-L410 PolarHBondContact O-N 2.9Å; I279-L410 HydrophobicContact CB-CD2 4.28Å; I279-L410 HydrophobicContact CG2-CD2 3.69Å; I279-L410 HydrophobicContact CG2-CG 4.39Å; L302-L410 HydrophobicContact CD2-CD1 3.56Å; V364-L410 HydrophobicContact CB-CD1 4.04Å; V364-L410 HydrophobicContact CG2-CD1 3.76Å; V364-L410 HydrophobicContact CG2-CD2 3.83Å; V364-L410 HydrophobicContact CG2-CG 4.46Å
411Q92.7Very high91Very high60 Ų6067 Ų6728%0.2834%0.342SS..BIsolated β-bridgetrans-106.4160.2177.8-59.3-58.4-3600110.8L276 G377 K378 V416L276-Q411 VanDerWaalsContact CD1-C 3.44Å; G377-Q411 WeakPolarHBondContact CA-O 3.43Å; K378-Q411 PolarHBondContact N-O 3.05Å; K378-Q411 PolarHBondContact O-N 2.8Å; Q411-V416 HydrophobicContact CB-CG2 3.58Å; Q411-V416 HydrophobicContact CG-CG2 4.47Å
412P91.6Very high89.6Confident39 Ų3964.6 Ų64.625%0.25335%0.346SS..  trans-56.9142.4177.3-26.736.6000112.8L276 E414 E415 V416L276-P412 HydrophobicContact CD1-CG 4.17Å; P412-E414 PolarHBondContact O-N 2.92Å; P412-E415 HydrophobicContact CB-CB 4.28Å; P412-E415 HydrophobicContact CB-CG 4.1Å; P412-E415 HydrophobicContact CG-CG 4.22Å; P412-E415 PolarHBondContact O-N 2.96Å; P412-V416 PolarHBondContact O-N 3.38Å
413E90.8Very high87.8Confident73 Ų7361.3 Ų61.334%0.34134%0.337SS..Hα-helixtrans-57.9-35.6-178.6147.3140.5-90.700112.1A375 K378 D417A375-E413 HydrophobicContact CB-CB 4.08Å; A375-E413 HydrophobicContact CB-CG 4.45Å; A375-E413 VanDerWaalsContact CB-OE2 3.27Å; A375-E413 WeakPolarHBondContact CB-OE2 3.44Å; K378-E413 WeakPolarHBondContact CE-OE1 3.37Å; K378-E413 VanDerWaalsContact NZ-CG 3.3Å; K378-E413 PolarHBondContact NZ-O 3.16Å; K378-E413 IonicContact NZ-OE1 2.73Å; K378-E413 PolarHBondContact NZ-OE1 3.3Å; E413-D417 WeakPolarHBondContact O-CB 3.29Å; E413-D417 PolarHBondContact O-N 2.82Å
414E87.6Confident85.3Confident167 Ų16767.5 Ų67.578%0.7836%0.355SS*.Hα-helixtrans-72.7-46.6-179.6-58.7-174.3171.800112.9P412 V416 D417 A418P412-E414 PolarHBondContact O-N 2.92Å; E414-V416 VanDerWaalsContact C-N 3.32Å; E414-V416 PolarHBondContact O-N 2.83Å; E414-D417 PolarHBondContact O-N 3.19Å; E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 2.71Å
415E87.9Confident84.8Confident92 Ų9269 Ų6943%0.4336%0.363SS..Hα-helixtrans-60.5-43.6178.1-68.8-177.6-158.200110.8Q273 P412 A418 M419Q273-E415 PolarHBondContact NE2-OE1 2.76Å; Q273-E415 PolarHBondContact NE2-OE2 2.9Å; P412-E415 HydrophobicContact CB-CB 4.28Å; P412-E415 HydrophobicContact CB-CG 4.1Å; P412-E415 HydrophobicContact CG-CG 4.22Å; P412-E415 PolarHBondContact O-N 2.96Å; E415-A418 WeakPolarHBondContact O-CB 3.3Å; E415-A418 PolarHBondContact O-N 3.24Å; E415-M419 WeakPolarHBondContact O-CG 3.36Å; E415-M419 PolarHBondContact O-N 3.19Å
416V89.4Confident84.1Confident4 Ų469.4 Ų69.42%0.02436%0.356CS..Hα-helixtrans-69.8-42.4177.6175.50000112.3K378 F380 Q411 P412 E414 A418 M419 L420K378-V416 HydrophobicContact CB-CB 4.2Å; K378-V416 HydrophobicContact CB-CG1 4.33Å; K378-V416 HydrophobicContact CB-CG2 4.25Å; K378-V416 HydrophobicContact CD-CB 3.85Å; K378-V416 HydrophobicContact CD-CG1 3.52Å; K378-V416 HydrophobicContact CG-CB 4.17Å; K378-V416 HydrophobicContact CG-CG1 3.79Å; F380-V416 HydrophobicContact CD1-CG1 3.77Å; F380-V416 HydrophobicContact CE1-CG1 4.5Å; Q411-V416 HydrophobicContact CB-CG2 3.58Å; Q411-V416 HydrophobicContact CG-CG2 4.47Å; P412-V416 PolarHBondContact O-N 3.38Å; E414-V416 VanDerWaalsContact C-N 3.32Å; E414-V416 PolarHBondContact O-N 2.83Å; V416-A418 VanDerWaalsContact C-N 3.26Å; V416-A418 PolarHBondContact O-N 3.03Å; V416-M419 PolarHBondContact O-N 2.69Å; V416-L420 HydrophobicContact CG1-CD1 4.02Å; V416-L420 HydrophobicContact CG1-CG 4.41Å; V416-L420 VanDerWaalsContact O-CG 3.28Å; V416-L420 WeakPolarHBondContact O-CG 3.37Å; V416-L420 PolarHBondContact O-N 2.86Å
417D89.1Confident83.5Confident53 Ų5371.2 Ų71.228%0.28337%0.366SS..Hα-helixtrans-67.4-28.8176.1-85.96.3000111.9R325 K378 E413 E414 L420 A421R325-D417 IonicContact NH2-OD2 3.67Å; K378-D417 IonicContact NZ-OD1 2.74Å; K378-D417 PolarHBondContact NZ-OD1 3.37Å; K378-D417 IonicContact NZ-OD2 2.64Å; K378-D417 PolarHBondContact NZ-OD2 3.32Å; E413-D417 WeakPolarHBondContact O-CB 3.29Å; E413-D417 PolarHBondContact O-N 2.82Å; E414-D417 PolarHBondContact O-N 3.19Å; D417-L420 PolarHBondContact O-N 3.23Å; D417-A421 WeakPolarHBondContact O-CB 3.45Å; D417-A421 PolarHBondContact O-N 3.06Å
418A86.8Confident82.6Confident50 Ų5069.9 Ų69.941%0.41337%0.367SS..Hα-helixtrans-65.2-46.7168.600000111.9E414 E415 V416 L420 A421 V422E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 2.71Å; E415-A418 WeakPolarHBondContact O-CB 3.3Å; E415-A418 PolarHBondContact O-N 3.24Å; V416-A418 VanDerWaalsContact C-N 3.26Å; V416-A418 PolarHBondContact O-N 3.03Å; A418-L420 VanDerWaalsContact C-N 3.25Å; A418-L420 PolarHBondContact O-N 2.91Å; A418-A421 PolarHBondContact O-N 2.91Å; A418-V422 WeakPolarHBondContact O-CB 3.4Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.17Å; A418-V422 PolarHBondContact O-N 2.84Å
419M85.7Confident81.8Confident72 Ų7274.1 Ų74.136%0.35539%0.389SS..Hα-helixtrans-58.4-36.4174.1-70.3177.477.800112.7F380 E415 V416F380-M419 HydrophobicContact CE1-CB 4.11Å; F380-M419 HydrophobicContact CE1-CE 3.93Å; F380-M419 HydrophobicContact CE1-SD 4.18Å; F380-M419 HydrophobicContact CZ-CB 4.38Å; F380-M419 HydrophobicContact CZ-CE 4.15Å; E415-M419 WeakPolarHBondContact O-CG 3.36Å; E415-M419 PolarHBondContact O-N 3.19Å; V416-M419 PolarHBondContact O-N 2.69Å
420L84.8Confident81Confident18 Ų1874.3 Ų74.39%0.09439%0.386CS..Hα-helixtrans-75.5-25.5175.6-66.8170.7000113.3V361 F380 V416 D417 A418V361-L420 HydrophobicContact CG1-CD1 4.45Å; V361-L420 HydrophobicContact CG2-CD1 3.67Å; V361-L420 HydrophobicContact CG2-CD2 4.28Å; F380-L420 HydrophobicContact CB-CD2 4.34Å; F380-L420 HydrophobicContact CD1-CD2 4.39Å; F380-L420 HydrophobicContact CD2-CD2 3.69Å; F380-L420 HydrophobicContact CE2-CD2 4.05Å; F380-L420 HydrophobicContact CG-CD2 3.88Å; F380-L420 HydrophobicContact CG-CG 4.5Å; V416-L420 HydrophobicContact CG1-CD1 4.02Å; V416-L420 HydrophobicContact CG1-CG 4.41Å; V416-L420 VanDerWaalsContact O-CG 3.28Å; V416-L420 WeakPolarHBondContact O-CG 3.37Å; V416-L420 PolarHBondContact O-N 2.86Å; D417-L420 PolarHBondContact O-N 3.23Å; A418-L420 VanDerWaalsContact C-N 3.25Å; A418-L420 PolarHBondContact O-N 2.91Å
421A74.8Confident80Confident52 Ų5279.3 Ų79.343%0.4341%0.412SS..Hα-helixtrans-88.6-37.2-178.900000113.8D417 A418 K423D417-A421 WeakPolarHBondContact O-CB 3.45Å; D417-A421 PolarHBondContact O-N 3.06Å; A418-A421 PolarHBondContact O-N 2.91Å; A421-K423 PolarHBondContact O-N 2.84Å
422V60.3Low79Confident122 Ų12280.8 Ų80.874%0.73942%0.422SS*.THydrogen-bonded Turntrans-67.2-21.1-173.9165.80000113.4A418A418-V422 WeakPolarHBondContact O-CB 3.4Å; A418-V422 VanDerWaalsContact O-CG2 3.27Å; A418-V422 WeakPolarHBondContact O-CG2 3.17Å; A418-V422 PolarHBondContact O-N 2.84Å
423K55.3Low77.9Confident99 Ų9984.3 Ų84.343%0.4344%0.436SS..THydrogen-bonded Turntrans-112.140.8-173.4-56.4177.9-176.1176.90113.2N384 A421N384-K423 HydrophobicContact CB-CD 3.69Å; N384-K423 WeakPolarHBondContact ND2-CB 3.38Å; N384-K423 PolarHBondContact O-NZ 2.74Å; A421-K423 PolarHBondContact O-N 2.84Å
424K42.6Very low76.7Confident209 Ų20985.3 Ų85.391%0.90944%0.444SS*.  trans-85.50173.7-82.2178.8174.6170.90113

Retrieved 424 of 424 residues in 722.6 ms (Link to these results)