A0A087YMZ2_POEFO Loading...

Large ribosomal subunit protein uL2m

AlphaFold DB , UniProt , Accession A0A087YMZ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1M39.8Very low37.6Very low244 Ų244156.9 Ų156.9100%1.20285%0.851SS**  0143.90-71-143-169.600108.2
2A36.1Very low37.4Very low95 Ų95151.1 Ų151.179%0.78583%0.831SS**  trans74.3109.8-172.400000114.2
3L36.8Very low37.1Very low166 Ų166151.7 Ų151.787%0.86983%0.831SS**  cis50.7128.547.1-66.8166.1000110.7
4S39.2Very low36.8Very low96 Ų96149.5 Ų149.567%0.67183%0.825SS**  cis177.7-179.819.941.50000108.9
5C35.6Very low36.6Very low116 Ų116150.5 Ų150.578%0.78483%0.828SS**  trans88.4116.8158.2-49.70000116.6
6L39.3Very low36.3Very low163 Ų163148.5 Ų148.585%0.85383%0.827SS**  cis80100.431.7-132.6178.5000114.9
7T44.9Very low36.4Very low137 Ų137150.8 Ų150.884%0.8483%0.83SS**  trans-173.3115.2150.344.70000108.3
8R35.1Very low36.9Very low221 Ų221149.4 Ų149.483%0.83483%0.83SS**  73.4107.467.5-153.2-177.9-158.2-162.25.9113.8
9A37.7Very low36.6Very low107 Ų107146.9 Ų146.988%0.88483%0.83SS**  trans-144.7109.2155.900000110
10L35.4Very low36.5Very low140 Ų140148.2 Ų148.273%0.73383%0.834SS**  trans-100.9136.8168.6-84.1157.3000108
11R34.2Very low36.2Very low241 Ų241149.4 Ų149.491%0.90984%0.837SS**  trans-151.399.4153.8-100.6-176.8175-162-1.9105.3
12S34.8Very low35.8Very low87 Ų87142.6 Ų142.661%0.60881%0.814SS**  74.6106.76678.50000115.1
13L33Very low35.5Very low159 Ų159142.9 Ų142.983%0.83281%0.81SS**  trans79.4140.8135.7-59.5168.1000117.5
14T32.9Very low35.3Very low121 Ų121144.1 Ų144.174%0.74281%0.811SS**  cis-158.713723.738.70000108.9
15L35Very low34.8Very low165 Ų165145.6 Ų145.686%0.86482%0.817SS**  53.3107.186.2-108.8160.2000116.7
16S30.6Very low34.7Very low118 Ų118146 Ų14683%0.82582%0.818SS**  trans-174.3111.314061.20000113.4
17Q38.5Very low34.3Very low187 Ų187144.2 Ų144.287%0.87481%0.813SS**  trans-114.2147.8143.8-89-173.3-20.300104.9
18P45.9Very low33.7Very low127 Ų127143.8 Ų143.883%0.82581%0.81SS**  -157.5174.375.938.5-16.9000116.4
19A31.1Very low33.7Very low101 Ų101141.7 Ų141.784%0.83581%0.81SS**  trans-167.9118.6134.500000110.7
20L33.4Very low33.2Very low172 Ų172143.1 Ų143.190%0.90180%0.802SS**  trans-91.8140.8160.7-81161.9000108
21L30.2Very low33Very low174 Ų174145.6 Ų145.691%0.91181%0.807SS**  trans-149131.3151.8-110.8130.4000111
22S31.1Very low33.1Very low101 Ų101143.1 Ų143.171%0.70681%0.811SS**  trans-74.4153.8-178.452.50000113.8
23S31.4Very low32.9Very low102 Ų102141.9 Ų141.971%0.71381%0.812SS**  176.3126.2121.854.70000114
24Q31.6Very low32.9Very low191 Ų191141 Ų14189%0.89381%0.814SS**  trans76.4120.8137-63176.44.900121.7
25T29.2Very low33Very low128 Ų128143.6 Ų143.679%0.78582%0.822SS**  trans-71.6158.3161.150.80000111.7
26P32.3Very low33.1Very low125 Ų125142 Ų14281%0.81282%0.819SS**  -135.8156.193.334.7-21.7000115
27V32.1Very low33.3Very low124 Ų124141.6 Ų141.675%0.75281%0.813SS**  trans-62.4129.7176172.30000111.4
28V31.4Very low33.2Very low128 Ų128137.3 Ų137.378%0.77680%0.804SS**  trans-132.9107.5155.4177.30000107.9
29Q35Very low32.7Very low178 Ų178137.8 Ų137.883%0.83280%0.804SS**  trans-70.5122.7166.5-89.3174.8-5200109.3
30L28.9Very low32.9Very low137 Ų137138.4 Ų138.472%0.71780%0.798SS**  trans-150.3113.4153.4-94.1170.6000111.3
31K30.7Very low33.3Very low191 Ų191134.9 Ų134.983%0.8379%0.788SS**  trans69110.8144.7-68.6177.6179.5178.30120.6
32L36.8Very low33.5Very low189 Ų189135.2 Ų135.299%0.9978%0.784SS**  trans-39.7128.3151.2-156.477.4000112.1
33G30.3Very low33.9Very low62 Ų62136 Ų13664%0.63979%0.789SS**  trans-175.889.817600000114.2
34T32.1Very low34.2Very low141 Ų141141.8 Ų141.887%0.86580%0.795SS**  trans55.9106.1152.833.40000119.6V36T34-V36 PolarHBondContact O-N 3.15Å
35L35.6Very low34.4Very low175 Ų175135.4 Ų135.492%0.91678%0.781SS**  trans-46.1121.8159.2-71.9153.6000111.5P37L35-P37 WeakPolarHBondContact O-CD 3.25Å
36V37.3Very low35Very low132 Ų132139.3 Ų139.380%0.879%0.787SS**  trans-68117.3164.2178.40000107.5T34 S38T34-V36 PolarHBondContact O-N 3.15Å; V36-S38 PolarHBondContact O-N 2.9Å; V36-S38 VanDerWaalsContact O-N 3.09Å
37P34.8Very low35.2Very low108 Ų108139.9 Ų139.970%0.70178%0.783SS**  trans-71.2112.2169.528.3-28.8000107.3L35 T39L35-P37 WeakPolarHBondContact O-CD 3.25Å; P37-T39 PolarHBondContact O-N 3.48Å; P37-T39 VanDerWaalsContact O-N 3.08Å
38S36.6Very low35.8Very low98 Ų98140.2 Ų140.269%0.68579%0.785SS**  trans-45.6117.4158.750.60000107.9V36 V40V36-S38 PolarHBondContact O-N 2.9Å; V36-S38 VanDerWaalsContact O-N 3.09Å; S38-V40 PolarHBondContact O-N 3.29Å
39T35.6Very low36.7Very low136 Ų136139 Ų13983%0.83478%0.778SS**  trans-69.983.3172.343.10000107.1P37 S41P37-T39 PolarHBondContact O-N 3.48Å; P37-T39 VanDerWaalsContact O-N 3.08Å; T39-S41 PolarHBondContact O-N 3.48Å
40V34.8Very low37.1Very low115 Ų115134.7 Ų134.770%0.69777%0.773SS**  trans-48.1109159177.80000104.7S38 Q42S38-V40 PolarHBondContact O-N 3.29Å; V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.06Å
41S40.7Very low37.8Very low98 Ų98133 Ų13369%0.68577%0.773SS**  trans-53.2107.8172.8600000105.2T39 C43T39-S41 PolarHBondContact O-N 3.48Å; S41-C43 VanDerWaalsContact C-N 3.34Å; S41-C43 PolarHBondContact O-N 3.39Å
42Q34.7Very low38.7Very low180 Ų180125.6 Ų125.684%0.84174%0.742SS**  trans-51.8109.9176.3-76.1179.5-14.800105.2V40 R44V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.06Å; Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 2.8Å
43C40.1Very low39.2Very low118 Ų118125.4 Ų125.480%0.79773%0.733SS**  trans-49.1112.1165.6-710000103.4S41 G45S41-C43 VanDerWaalsContact C-N 3.34Å; S41-C43 PolarHBondContact O-N 3.39Å; C43-G45 VanDerWaalsContact C-N 3.29Å; C43-G45 PolarHBondContact O-N 2.85Å
44R38Very low40Very low223 Ų223130.3 Ų130.384%0.84274%0.739SS**  trans-51106.2178.7-80.9-172.9177.3-146.70.4105.1Q42 F46Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 2.8Å; R44-F46 PolarHBondContact O-N 2.82Å
45G34.4Very low40.8Very low58 Ų58128.5 Ų128.560%0.59872%0.724SS**  trans-49143.1172.900000106.3C43 L47C43-G45 VanDerWaalsContact C-N 3.29Å; C43-G45 PolarHBondContact O-N 2.85Å; G45-L47 VanDerWaalsContact C-N 3.26Å; G45-L47 PolarHBondContact O-N 2.8Å
46F42Very low41.6Very low210 Ų210129.3 Ų129.392%0.92172%0.715SS**  trans-47.6101.7171.2-94.5-94000107.1R44 T48R44-F46 PolarHBondContact O-N 2.82Å; F46-T48 PolarHBondContact O-N 2.86Å
47L37.7Very low42.5Very low137 Ų137125.2 Ų125.272%0.71770%0.695SS**  trans-61.498.5171.3-82.3162.2000103.3G45 T49G45-L47 VanDerWaalsContact C-N 3.26Å; G45-L47 PolarHBondContact O-N 2.8Å; L47-T49 PolarHBondContact O-N 2.74Å
48T44.6Very low43.4Very low131 Ų131126.2 Ų126.280%0.80469%0.686SS**  trans-58.995.4162.144.80000103.9F46 A50F46-T48 PolarHBondContact O-N 2.86Å; T48-A50 PolarHBondContact O-N 2.79Å
49T51Low44.4Very low101 Ų101124.2 Ų124.262%0.6267%0.667SS**  trans-46.8125.8-177.543.40000108.3L47L47-T49 PolarHBondContact O-N 2.74Å
50A43.3Very low45.6Very low88 Ų88126.5 Ų126.573%0.72767%0.665SS**  trans-42.8153.8177.200000112.5T48 L52T48-A50 PolarHBondContact O-N 2.79Å; A50-L52 PolarHBondContact O-N 3.1Å
51S41.8Very low47.3Very low103 Ų103125.9 Ų125.972%0.7266%0.655SS**  trans-49.2133.5-175.183.40000112.5K53S51-K53 PolarHBondContact O-N 2.7Å
52L49.5Very low49.1Very low34 Ų34124.3 Ų124.318%0.17864%0.638CS.*G310 helixtrans-79.927.4-160.5-76146.6000115.6A50 H54 N55 H80 T81A50-L52 PolarHBondContact O-N 3.1Å; L52-H54 PolarHBondContact O-N 3.44Å; L52-N55 HydrophobicContact CD2-CB 4.46Å; L52-N55 VanDerWaalsContact CD2-ND2 3.31Å; L52-N55 WeakPolarHBondContact CD2-ND2 3.35Å; L52-N55 PolarHBondContact O-N 2.66Å; L52-H80 WeakPolarHBondContact CB-O 3.46Å; L52-T81 VanDerWaalsContact CD1-O 3.3Å; L52-T81 WeakPolarHBondContact CD1-O 3.42Å
53K47.7Very low51.4Low185 Ų185123.2 Ų123.280%0.80464%0.638SS**G310 helixtrans-59.4-25.1170-85.8-175.7174.81790112S51S51-K53 PolarHBondContact O-N 2.7Å
54H48.3Very low53.8Low165 Ų165125.8 Ų125.876%0.76464%0.636SS**G310 helixtrans-80.2-9.8-176.4-109.280.7000116.1L52 R56L52-H54 PolarHBondContact O-N 3.44Å; H54-R56 VanDerWaalsContact C-N 3.31Å; H54-R56 PolarHBondContact O-N 2.83Å
55N48.4Very low56.4Low103 Ų103118.7 Ų118.755%0.55161%0.61SS**G310 helixtrans-95.833.5176.9-83.3-30.8000112.3L52 A57L52-N55 HydrophobicContact CD2-CB 4.46Å; L52-N55 VanDerWaalsContact CD2-ND2 3.31Å; L52-N55 WeakPolarHBondContact CD2-ND2 3.35Å; L52-N55 PolarHBondContact O-N 2.66Å; N55-A57 PolarHBondContact O-N 3.39Å
56R51.5Low59.2Low193 Ų193118.4 Ų118.473%0.72860%0.596SS**  trans-59.3110.1156.7-90.8-177.5165163.6-5106.3H54 Y58H54-R56 VanDerWaalsContact C-N 3.31Å; H54-R56 PolarHBondContact O-N 2.83Å; R56-Y58 PolarHBondContact O-N 3.34Å
57A56.4Low61.7Low46 Ų46111.3 Ų111.338%0.3857%0.567SS.*  trans-52.8115.1177.800000107.6N55 L59 K60N55-A57 PolarHBondContact O-N 3.39Å; A57-L59 PolarHBondContact O-N 2.99Å; A57-K60 HydrophobicContact CB-CG 4.48Å; A57-K60 WeakPolarHBondContact O-CB 3.39Å; A57-K60 PolarHBondContact O-N 3.13Å
58Y55.3Low64.4Low129 Ų129114.3 Ų114.351%0.50657%0.569SS.*G310 helixtrans-44.7-30.2177.5-80.5-94.5000112.6R56 K60 Q61 K73R56-Y58 PolarHBondContact O-N 3.34Å; Y58-K60 PolarHBondContact O-N 3.33Å; Y58-Q61 PolarHBondContact O-N 3.16Å; Y58-K73 HydrophobicContact CD2-CD 4.48Å; Y58-K73 HydrophobicContact CE2-CD 4.36Å
59L55.8Low66.7Low55 Ų55111.1 Ų111.129%0.28855%0.551SS.*G310 helixtrans-56.2-32.9174.6-149.282.2000114.4A57 Q61 I70 I72 H97A57-L59 PolarHBondContact O-N 2.99Å; L59-Q61 VanDerWaalsContact C-N 3.32Å; L59-I70 HydrophobicContact CD1-CB 4.17Å; L59-I70 HydrophobicContact CD1-CD1 4.11Å; L59-I70 HydrophobicContact CD1-CG2 3.84Å; L59-I72 HydrophobicContact CD1-CG2 3.93Å; L59-H97 HydrophobicContact CD1-CB 3.94Å; L59-H97 VanDerWaalsContact CD1-CD2 3.4Å; L59-H97 WeakPolarHBondContact CD1-CD2 3.02Å
60K61.9Low68.7Low184 Ų184107.5 Ų107.580%0.853%0.527SS*.G310 helixtrans-83.8-6.8179.2-63.7-174.3178.1-173.90113.4A57 Y58A57-K60 HydrophobicContact CB-CG 4.48Å; A57-K60 WeakPolarHBondContact O-CB 3.39Å; A57-K60 PolarHBondContact O-N 3.13Å; Y58-K60 PolarHBondContact O-N 3.33Å
61Q70.1Confident70.9Confident102 Ų102106 Ų10648%0.47752%0.52SS..G310 helixtrans-100.1-3.1178.9-66175.1-39.200112.2Y58 L59Y58-Q61 PolarHBondContact O-N 3.16Å; L59-Q61 VanDerWaalsContact C-N 3.32Å
62L77.8Confident73.2Confident65 Ų65103.7 Ų103.734%0.3450%0.499SS..  trans-84119176.4-70.2171.6000109.6I70 W99L62-I70 HydrophobicContact CD1-CD1 3.47Å; L62-I70 VanDerWaalsContact CD1-CD1 3.47Å; L62-I70 HydrophobicContact CD1-CG1 3.92Å; L62-I70 HydrophobicContact CD1-CG2 3.94Å; L62-W99 HydrophobicContact CB-CH2 4.11Å; L62-W99 HydrophobicContact CB-CZ3 3.69Å; L62-W99 HydrophobicContact CD1-CZ3 4.24Å; L62-W99 WeakPolarHBondContact O-CH2 3.38Å
63D83.7Confident75Confident157 Ų157108.5 Ų108.584%0.8452%0.519SS*.  trans-88.3-23.4-179.8-57.1-32.3000112.4
64K90.4Very high77Confident173 Ų173103.9 Ų103.975%0.75250%0.499SS*.SBendtrans-116133-174.7-63.3-177.3-176.4-179.90112.3T66 W99K64-T66 PolarHBondContact O-N 2.89Å; K64-T66 PolarHBondContact O-OG1 3.01Å; K64-W99 WeakPolarHBondContact O-CZ3 3.18Å
65Y92.3Very high78.9Confident74 Ų74100 Ų10029%0.2949%0.49SS..  trans-59.4132.9176.1179.6-92.7000111.2I67 W99 R143 W144Y65-I67 HydrophobicContact CE1-CG1 4Å; Y65-W99 HydrophobicContact CD2-CB 4.25Å; Y65-W99 AromaticContact CD2-CD1 3.96Å; Y65-W99 AromaticContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CE3 4.45Å; Y65-W99 AromaticContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CE2-CB 3.9Å; Y65-W99 AromaticContact CE2-CD1 3.95Å; Y65-W99 HydrophobicContact CE2-CD2 4.44Å; Y65-W99 AromaticContact CE2-CG 3.83Å; Y65-W99 HydrophobicContact CE2-CG 3.83Å; Y65-W99 WeakPolarHBondContact CE2-O 3.32Å; Y65-W99 PolarHBondContact OH-O 2.81Å; Y65-R143 HydrophobicContact CE1-CB 4.11Å; Y65-R143 VanDerWaalsContact OH-CA 3.31Å; Y65-R143 WeakPolarHBondContact OH-CA 3.46Å; Y65-W144 PolarHBondContact OH-N 2.89Å
66T93.7Very high81Confident52 Ų5296.1 Ų96.132%0.31948%0.475SS..  trans-138.3135.9-179.3-44.50000110.7K64 R68K64-T66 PolarHBondContact O-N 2.89Å; K64-T66 PolarHBondContact O-OG1 3.01Å; T66-R68 HydrophobicContact CG2-CB 3.97Å; T66-R68 HydrophobicContact CG2-CG 4.2Å
67I94.9Very high83Confident60 Ų6087.2 Ų87.231%0.30844%0.443SS..  trans-78-27.1179.8-58.1145.9000111.4Y65 L135 K142 W144Y65-I67 HydrophobicContact CE1-CG1 4Å; I67-L135 HydrophobicContact CG2-CD1 3.77Å; I67-K142 HydrophobicContact CD1-CB 3.58Å; I67-K142 WeakPolarHBondContact CD1-O 3.2Å; I67-K142 HydrophobicContact CG1-CB 4.38Å; I67-K142 WeakPolarHBondContact CG1-O 3.4Å; I67-W144 HydrophobicContact CG2-CZ2 4.26Å; I67-W144 VanDerWaalsContact CG2-NE1 3.34Å; I67-W144 PolarHBondContact O-NE1 3.14Å
68R94.1Very high84.7Confident200 Ų20092 Ų9276%0.75545%0.451SS*.SBendtrans-62.1141.1-177.4-64.3-179.2178.6175.8-0.3110.4T66 I70T66-R68 HydrophobicContact CG2-CB 3.97Å; T66-R68 HydrophobicContact CG2-CG 4.2Å; R68-I70 PolarHBondContact O-N 2.97Å
69P93.7Very high86.3Confident65 Ų6588 Ų8842%0.42244%0.438SS..PPolyproline II helixtrans-63.2126.1176.3-21.632.7000111.9K96P69-K96 HydrophobicContact CB-CB 3.65Å; P69-K96 HydrophobicContact CB-CD 3.81Å; P69-K96 HydrophobicContact CB-CG 4.37Å
70I92.8Very high87.7Confident24 Ų2492.8 Ų92.812%0.12346%0.459CS..EExtended strand (participates in β ladder)trans-94.9133.4-176.5-60.2152.4000109.7L59 L62 R68 I72 K96 H97 W99L59-I70 HydrophobicContact CD1-CB 4.17Å; L59-I70 HydrophobicContact CD1-CD1 4.11Å; L59-I70 HydrophobicContact CD1-CG2 3.84Å; L62-I70 HydrophobicContact CD1-CD1 3.47Å; L62-I70 VanDerWaalsContact CD1-CD1 3.47Å; L62-I70 HydrophobicContact CD1-CG1 3.92Å; L62-I70 HydrophobicContact CD1-CG2 3.94Å; R68-I70 PolarHBondContact O-N 2.97Å; I70-I72 PolarHBondContact O-N 2.85Å; I70-K96 CarbonylContact O-C 3.4Å; I70-K96 VanDerWaalsContact O-CA 3.24Å; I70-K96 WeakPolarHBondContact O-CA 3.47Å; I70-H97 PolarHBondContact N-O 2.88Å; I70-H97 PolarHBondContact O-N 2.86Å; I70-W99 HydrophobicContact CD1-CB 4.4Å; I70-W99 HydrophobicContact CD1-CE3 4.12Å
71G89.6Confident89.1Confident56 Ų5687.4 Ų87.458%0.57744%0.442SS*.EExtended strand (participates in β ladder)trans-66.6126.5173.900000111.4
72I88.5Confident89.8Confident55 Ų5583.7 Ų83.728%0.28243%0.43SS..  trans-114.8141176.556164.6000112.3L59 I70 Q95 H97L59-I72 HydrophobicContact CD1-CG2 3.93Å; I70-I72 PolarHBondContact O-N 2.85Å; I72-Q95 HydrophobicContact CD1-CB 4.34Å; I72-Q95 VanDerWaalsContact CG1-O 3.27Å; I72-Q95 WeakPolarHBondContact CG1-O 3.34Å; I72-H97 HydrophobicContact CD1-CB 4.37Å; I72-H97 HydrophobicContact CG1-CB 4.48Å; I72-H97 HydrophobicContact CG2-CB 3.42Å; I72-H97 VanDerWaalsContact CG2-CB 3.42Å
73K87.8Confident90.4Very high135 Ų13588 Ų8859%0.58745%0.446SS*.  trans-92.5129.4168.4-62-175.4-177.1-178.20108.7Y58Y58-K73 HydrophobicContact CD2-CD 4.48Å; Y58-K73 HydrophobicContact CE2-CD 4.36Å
74K89.1Confident90.9Very high89 Ų8985 Ų8539%0.38743%0.429SS..  trans-77.9145.2177.7-62.5-173.7-178-175.70110.6G91 G92 H93K74-G91 WeakPolarHBondContact CD-O 3.39Å; K74-G91 PolarHBondContact NZ-O 3.41Å; K74-G92 PolarHBondContact NZ-O 3.06Å; K74-H93 VanDerWaalsContact CE-O 3.25Å; K74-H93 WeakPolarHBondContact CE-O 3.34Å; K74-H93 PolarHBondContact NZ-O 3.45Å
75S89.5Confident91.1Very high82 Ų8286.9 Ų86.957%0.57343%0.432SS*.  trans-77.8-30.2179.461.50000114.1G77 R78S75-G77 PolarHBondContact O-N 2.9Å; S75-G77 PolarHBondContact OG-N 2.94Å; S75-R78 PolarHBondContact O-N 2.87Å
76G92.2Very high91.2Very high23 Ų2387 Ų8724%0.23744%0.44CS..THydrogen-bonded Turntrans6522.4-173.200000114.2R78 I89G76-R78 VanDerWaalsContact C-N 3.33Å; G76-I89 CarbonylContact C-O 3.54Å; G76-I89 VanDerWaalsContact O-O 3.12Å
77G92.8Very high91.3Very high5 Ų594.1 Ų94.15%0.05246%0.461CS..THydrogen-bonded Turntrans79.610.1179.900000115.1S75 R85 T86S75-G77 PolarHBondContact O-N 2.9Å; S75-G77 PolarHBondContact OG-N 2.94Å; G77-R85 PolarHBondContact O-N 3.16Å; G77-T86 WeakPolarHBondContact CA-O 3.23Å; G77-T86 PolarHBondContact O-N 3.16Å; G77-T86 VanDerWaalsContact O-N 3.09Å
78R92.2Very high91.4Very high148 Ų14892.6 Ų92.656%0.55846%0.46SS*.BIsolated β-bridgetrans-92.6149.1177-65176.5176.9145.6-3112S75 G76 G82 K83 I84S75-R78 PolarHBondContact O-N 2.87Å; G76-R78 VanDerWaalsContact C-N 3.33Å; R78-G82 WeakPolarHBondContact CD-O 3.45Å; R78-K83 VanDerWaalsContact CA-O 3.27Å; R78-K83 WeakPolarHBondContact CA-O 2.93Å; R78-I84 HydrophobicContact CG-CG1 4.22Å
79D89.8Confident91.5Very high45 Ų4586.5 Ų86.524%0.24144%0.442CS..  trans-88.7-171.9172.471.3-11.6000111.8T81 G82 K83 R85D79-T81 PolarHBondContact O-N 2.88Å; D79-T81 PolarHBondContact OD1-N 3.43Å; D79-T81 PolarHBondContact OD1-OG1 2.8Å; D79-T81 PolarHBondContact OD2-OG1 3.21Å; D79-G82 PolarHBondContact O-N 3Å; D79-G82 PolarHBondContact OD1-N 2.89Å; D79-K83 PolarHBondContact N-O 2.81Å; D79-K83 PolarHBondContact OD1-N 3.14Å; D79-K83 VanDerWaalsContact OD1-O 3.11Å; D79-R85 HydrophobicContact CB-CB 4.38Å
80H85.9Confident91.5Very high154 Ų15484.1 Ų84.171%0.71343%0.429SS*.THydrogen-bonded Turntrans-70.9-11.4176.973.5-86000113.5L52L52-H80 WeakPolarHBondContact CB-O 3.46Å
81T89.3Confident91.6Very high72 Ų7285.5 Ų85.544%0.44245%0.45SS..THydrogen-bonded Turntrans-92.4-17.4174.370.80000112.1L52 D79L52-T81 VanDerWaalsContact CD1-O 3.3Å; L52-T81 WeakPolarHBondContact CD1-O 3.42Å; D79-T81 PolarHBondContact O-N 2.88Å; D79-T81 PolarHBondContact OD1-N 3.43Å; D79-T81 PolarHBondContact OD1-OG1 2.8Å; D79-T81 PolarHBondContact OD2-OG1 3.21Å
82G85.9Confident91.9Very high23 Ų2384.3 Ų84.324%0.23744%0.437CS..SBendtrans101.2-4.4176.100000113.2R78 D79R78-G82 WeakPolarHBondContact CD-O 3.45Å; D79-G82 PolarHBondContact O-N 3Å; D79-G82 PolarHBondContact OD1-N 2.89Å
83K91.1Very high92.3Very high156 Ų15688.3 Ų88.368%0.67845%0.454SS*.  trans-76145.1178.1-63.8-179.3-178.7179.80108.9R78 D79 R85R78-K83 VanDerWaalsContact CA-O 3.27Å; R78-K83 WeakPolarHBondContact CA-O 2.93Å; D79-K83 PolarHBondContact N-O 2.81Å; D79-K83 PolarHBondContact OD1-N 3.14Å; D79-K83 VanDerWaalsContact OD1-O 3.11Å; K83-R85 PolarHBondContact O-N 2.93Å
84I93.1Very high92.6Very high94 Ų9491 Ų9148%0.48247%0.466SS..BIsolated β-bridgetrans-72.6111.1175.8-62.8173.7000107.7R78 R87R78-I84 HydrophobicContact CG-CG1 4.22Å; I84-R87 HydrophobicContact CG2-CG 4.25Å
85R94.3Very high92.9Very high212 Ų21289.2 Ų89.280%0.846%0.459SS*.  trans-93.1-37.4175.2-171.4173.2-178.3176.21.6111.8G77 D79 K83G77-R85 PolarHBondContact O-N 3.16Å; D79-R85 HydrophobicContact CB-CB 4.38Å; K83-R85 PolarHBondContact O-N 2.93Å
86T95.3Very high93.1Very high77 Ų7791.7 Ų91.747%0.47246%0.459SS..SBendtrans-122.7118.6179.1-51.20000109.5G77 I89G77-T86 WeakPolarHBondContact CA-O 3.23Å; G77-T86 PolarHBondContact O-N 3.16Å; G77-T86 VanDerWaalsContact O-N 3.09Å; T86-I89 HydrophobicContact CG2-CD1 3.64Å; T86-I89 HydrophobicContact CG2-CG1 4.31Å
87R95.8Very high93.2Very high202 Ų20292.3 Ų92.376%0.76246%0.456SS*.THydrogen-bonded Turntrans-76.5163177-59.5-178.3-175.7-169.40110.4I84 I89I84-R87 HydrophobicContact CG2-CG 4.25Å; R87-I89 VanDerWaalsContact C-N 3.33Å; R87-I89 PolarHBondContact O-N 2.82Å
88G95.8Very high93.3Very high28 Ų2894.1 Ų94.129%0.28946%0.461SS..THydrogen-bonded Turntrans82.7-0174.600000115.6I262 R263G88-I262 CarbonylContact O-C 3.44Å; G88-I262 WeakPolarHBondContact O-CA 3.4Å; G88-R263 PolarHBondContact O-N 2.83Å
89I96.6Very high93.4Very high72 Ų7290.6 Ų90.637%0.36945%0.448SS..BIsolated β-bridgetrans-107.4132.1179.9-57.1176.6000109.7G76 T86 R87 R263G76-I89 CarbonylContact C-O 3.54Å; G76-I89 VanDerWaalsContact O-O 3.12Å; T86-I89 HydrophobicContact CG2-CD1 3.64Å; T86-I89 HydrophobicContact CG2-CG1 4.31Å; R87-I89 VanDerWaalsContact C-N 3.33Å; R87-I89 PolarHBondContact O-N 2.82Å; I89-R263 WeakPolarHBondContact O-CD 3.29Å
90G93.7Very high93.7Very high14 Ų1488.8 Ų88.814%0.14444%0.438CS..  trans156155.9171.300000114.5G261G90-G261 PolarHBondContact N-O 2.97Å; G90-G261 CarbonylContact O-C 3.59Å; G90-G261 WeakPolarHBondContact O-CA 3.33Å
91G94.8Very high94.1Very high54 Ų5482 Ų8256%0.55741%0.408SS*.  trans72.6-136.8-174.500000112.6K74K74-G91 WeakPolarHBondContact CD-O 3.39Å; K74-G91 PolarHBondContact NZ-O 3.41Å
92G96Very high94.5Very high30 Ų3081.5 Ų81.531%0.30940%0.399SS..  trans73.3164-177.800000114.4K74 R258 W259K74-G92 PolarHBondContact NZ-O 3.06Å; G92-R258 WeakPolarHBondContact CA-O 3.31Å; G92-R258 PolarHBondContact N-O 3.45Å; G92-W259 CarbonylContact C-O 3.55Å; G92-W259 WeakPolarHBondContact CA-O 3.49Å
93H97.1Very high94.9Very high140 Ų14082.9 Ų82.965%0.64840%0.4SS*.  trans-61.1146.9-177.7-167.8-85.4000111.8K74 W259K74-H93 VanDerWaalsContact CE-O 3.25Å; K74-H93 WeakPolarHBondContact CE-O 3.34Å; K74-H93 PolarHBondContact NZ-O 3.45Å; H93-W259 PolarHBondContact N-O 3.12Å
94K95.4Very high95.1Very high191 Ų19176 Ų7683%0.8337%0.369SS*.  trans-62.3139.1174.9-70.5-178180176.10109.7
95Q94.2Very high95.1Very high51 Ų5173.1 Ų73.124%0.23836%0.355CS..  trans-129.6148.1-176.7-68.8173.5-23.300109.5I72 P127I72-Q95 HydrophobicContact CD1-CB 4.34Å; I72-Q95 VanDerWaalsContact CG1-O 3.27Å; I72-Q95 WeakPolarHBondContact CG1-O 3.34Å; Q95-P127 HydrophobicContact CB-CG 4.43Å; Q95-P127 HydrophobicContact CG-CB 3.99Å; Q95-P127 HydrophobicContact CG-CG 4.32Å; Q95-P127 PolarHBondContact NE2-O 3Å; Q95-P127 VanDerWaalsContact NE2-O 3.08Å
96K93.7Very high94.9Very high135 Ų13567.4 Ų67.459%0.58733%0.333SS*.EExtended strand (participates in β ladder)trans-109134.4167.8-61.7-174.8-177-179.80107.6P69 I70P69-K96 HydrophobicContact CB-CB 3.65Å; P69-K96 HydrophobicContact CB-CD 3.81Å; P69-K96 HydrophobicContact CB-CG 4.37Å; I70-K96 CarbonylContact O-C 3.4Å; I70-K96 VanDerWaalsContact O-CA 3.24Å; I70-K96 WeakPolarHBondContact O-CA 3.47Å
97H93.8Very high94.6Very high36 Ų3666.7 Ų66.717%0.16732%0.322CS..EExtended strand (participates in β ladder)trans-82.8136.7177.4-179.878.4000110.4L59 I70 I72L59-H97 HydrophobicContact CD1-CB 3.94Å; L59-H97 VanDerWaalsContact CD1-CD2 3.4Å; L59-H97 WeakPolarHBondContact CD1-CD2 3.02Å; I70-H97 PolarHBondContact N-O 2.88Å; I70-H97 PolarHBondContact O-N 2.86Å; I72-H97 HydrophobicContact CD1-CB 4.37Å; I72-H97 HydrophobicContact CG1-CB 4.48Å; I72-H97 HydrophobicContact CG2-CB 3.42Å; I72-H97 VanDerWaalsContact CG2-CB 3.42Å
98R95.1Very high94.1Very high43 Ų4358.4 Ų58.416%0.16229%0.292CS..  trans-106.5122.9168.4-65.4177.6-173.4109.7-11.1108.8V100 Y125 D126 R129 I133R98-V100 PolarHBondContact O-N 2.74Å; R98-Y125 PolarHBondContact NH1-O 2.95Å; R98-D126 IonicContact NH1-OD1 3.04Å; R98-D126 PolarHBondContact NH1-OD1 3.05Å; R98-R129 PolarHBondContact O-NH2 2.82Å; R98-I133 HydrophobicContact CB-CD1 4.14Å; R98-I133 HydrophobicContact CG-CD1 4.41Å
99W94.6Very high93.4Very high73 Ų7362.3 Ų62.328%0.27731%0.313SS..  trans-69.7111.7179.9-157.5-25.8000108.5L62 K64 Y65 I70L62-W99 HydrophobicContact CB-CH2 4.11Å; L62-W99 HydrophobicContact CB-CZ3 3.69Å; L62-W99 HydrophobicContact CD1-CZ3 4.24Å; L62-W99 WeakPolarHBondContact O-CH2 3.38Å; K64-W99 WeakPolarHBondContact O-CZ3 3.18Å; Y65-W99 HydrophobicContact CD2-CB 4.25Å; Y65-W99 AromaticContact CD2-CD1 3.96Å; Y65-W99 AromaticContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CD2 3.93Å; Y65-W99 HydrophobicContact CD2-CE3 4.45Å; Y65-W99 AromaticContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CD2-CG 3.8Å; Y65-W99 HydrophobicContact CE2-CB 3.9Å; Y65-W99 AromaticContact CE2-CD1 3.95Å; Y65-W99 HydrophobicContact CE2-CD2 4.44Å; Y65-W99 AromaticContact CE2-CG 3.83Å; Y65-W99 HydrophobicContact CE2-CG 3.83Å; Y65-W99 WeakPolarHBondContact CE2-O 3.32Å; Y65-W99 PolarHBondContact OH-O 2.81Å; I70-W99 HydrophobicContact CD1-CB 4.4Å; I70-W99 HydrophobicContact CD1-CE3 4.12Å
100V96.1Very high92.7Very high7 Ų766.7 Ų66.74%0.04234%0.337CS..BIsolated β-bridgetrans-98.3133.7177.5168.40000109.7R98 F102 R129 I133 W144 V146R98-V100 PolarHBondContact O-N 2.74Å; V100-F102 HydrophobicContact CB-CE2 4.29Å; V100-F102 HydrophobicContact CB-CZ 4.17Å; V100-F102 HydrophobicContact CG1-CD1 4.13Å; V100-F102 HydrophobicContact CG1-CD2 4.5Å; V100-F102 HydrophobicContact CG1-CE1 3.81Å; V100-F102 HydrophobicContact CG1-CE2 4.22Å; V100-F102 HydrophobicContact CG1-CG 4.46Å; V100-F102 HydrophobicContact CG1-CZ 3.86Å; V100-F102 PolarHBondContact O-N 3.17Å; V100-R129 VanDerWaalsContact CG2-NH2 3.29Å; V100-I133 HydrophobicContact CG2-CG2 3.91Å; V100-W144 WeakPolarHBondContact CA-O 3.49Å; V100-W144 HydrophobicContact CG2-CB 3.93Å; V100-V146 HydrophobicContact CG1-CG2 4.23Å
101D95.6Very high92Very high12 Ų1270.4 Ų70.46%0.06435%0.349CS..  trans-86.2107.2173.6-167.214.1000109.9Q103 R106 R143 W144D101-Q103 VanDerWaalsContact C-N 3.31Å; D101-Q103 PolarHBondContact OD1-N 2.89Å; D101-R106 IonicContact OD1-CZ 3.77Å; D101-R106 IonicContact OD1-NH1 2.9Å; D101-R106 PolarHBondContact OD1-NH1 2.66Å; D101-R106 IonicContact OD1-NH2 3.07Å; D101-R106 PolarHBondContact OD1-NH2 3.24Å; D101-R106 IonicContact OD2-CZ 3.37Å; D101-R106 IonicContact OD2-NH1 3.06Å; D101-R106 PolarHBondContact OD2-NH1 3.42Å; D101-R106 IonicContact OD2-NH2 2.86Å; D101-R143 HydrophobicContact CB-CB 4.43Å; D101-R143 WeakPolarHBondContact OD2-CD 3.41Å; D101-R143 IonicContact OD2-CZ 3.61Å; D101-R143 IonicContact OD2-NH1 3.42Å; D101-R143 PolarHBondContact OD2-NH1 2.72Å; D101-W144 PolarHBondContact N-O 2.97Å
102F96.3Very high91.4Very high62 Ų6275.4 Ų75.427%0.27236%0.358SS..  trans-84.2-8.2179.8-72.4-65.4000113.2V100 V146 S198V100-F102 HydrophobicContact CB-CE2 4.29Å; V100-F102 HydrophobicContact CB-CZ 4.17Å; V100-F102 HydrophobicContact CG1-CD1 4.13Å; V100-F102 HydrophobicContact CG1-CD2 4.5Å; V100-F102 HydrophobicContact CG1-CE1 3.81Å; V100-F102 HydrophobicContact CG1-CE2 4.22Å; V100-F102 HydrophobicContact CG1-CG 4.46Å; V100-F102 HydrophobicContact CG1-CZ 3.86Å; V100-F102 PolarHBondContact O-N 3.17Å; F102-V146 HydrophobicContact CD1-CG2 4.46Å; F102-V146 HydrophobicContact CE1-CG2 3.84Å; F102-S198 VanDerWaalsContact CB-OG 3.32Å; F102-S198 WeakPolarHBondContact CB-OG 3.36Å; F102-S198 WeakPolarHBondContact CD1-OG 3.34Å; F102-S198 WeakPolarHBondContact O-CB 3.39Å; F102-S198 PolarHBondContact O-N 3.03Å; F102-S198 PolarHBondContact O-OG 2.86Å
103Q95.1Very high90.7Very high52 Ų5276.2 Ų76.224%0.24337%0.366CS..  trans-9996.6176.1-173.6-176.3800108.7D101 L105 R143D101-Q103 VanDerWaalsContact C-N 3.31Å; D101-Q103 PolarHBondContact OD1-N 2.89Å; Q103-L105 WeakPolarHBondContact CG-O 3.5Å; Q103-L105 PolarHBondContact NE2-O 3.31Å; Q103-R143 PolarHBondContact O-NH1 2.75Å; Q103-R143 VanDerWaalsContact O-NH1 3.08Å
104R94.1Very high90.2Very high11 Ų1175.5 Ų75.54%0.04236%0.363CS..SBendtrans-63-49.4-179.4-69.7-71-70.8133.5-4111.1R106 E118 R143 T159 A175 I235R104-R106 PolarHBondContact O-N 2.76Å; R104-R106 VanDerWaalsContact O-N 3.08Å; R104-E118 IonicContact CZ-OE2 3.88Å; R104-E118 IonicContact NH1-OE2 3.93Å; R104-E118 PolarHBondContact NH1-OE2 2.8Å; R104-R143 PolarHBondContact O-NH1 3.06Å; R104-R143 PolarHBondContact O-NH2 2.9Å; R104-T159 PolarHBondContact NH2-OG1 2.77Å; R104-A175 HydrophobicContact CB-CB 3.73Å; R104-A175 HydrophobicContact CG-CB 4.09Å; R104-I235 HydrophobicContact CB-CG2 4.2Å
105L93.9Very high90Very high34 Ų3469.7 Ų69.718%0.17835%0.345CS..  trans-79.989.7175.5-165.673.7000110.7Q103 Y107 F116 T159 I235Q103-L105 WeakPolarHBondContact CG-O 3.5Å; Q103-L105 PolarHBondContact NE2-O 3.31Å; L105-Y107 HydrophobicContact CD1-CE1 3.85Å; L105-Y107 HydrophobicContact CD1-CE2 4.36Å; L105-Y107 WeakPolarHBondContact CD1-OH 3.45Å; L105-Y107 HydrophobicContact CD2-CE2 4.3Å; L105-Y107 HydrophobicContact CG-CE2 4.19Å; L105-F116 HydrophobicContact CD1-CE1 4.33Å; L105-T159 HydrophobicContact CB-CG2 4.35Å; L105-T159 HydrophobicContact CD1-CG2 3.76Å; L105-I235 HydrophobicContact CB-CD1 4.09Å; L105-I235 HydrophobicContact CB-CG1 3.78Å; L105-I235 HydrophobicContact CB-CG2 4.39Å; L105-I235 HydrophobicContact CD2-CD1 3.8Å; L105-I235 HydrophobicContact CD2-CG1 3.97Å; L105-I235 HydrophobicContact CG-CD1 4.44Å
106R91.3Very high90Very high92 Ų9269.2 Ų69.235%0.34734%0.342SS..  trans-130.1115.5167.3-177.5177.6-67.5145.111.5106.8D101 R104 R141D101-R106 IonicContact OD1-CZ 3.77Å; D101-R106 IonicContact OD1-NH1 2.9Å; D101-R106 PolarHBondContact OD1-NH1 2.66Å; D101-R106 IonicContact OD1-NH2 3.07Å; D101-R106 PolarHBondContact OD1-NH2 3.24Å; D101-R106 IonicContact OD2-CZ 3.37Å; D101-R106 IonicContact OD2-NH1 3.06Å; D101-R106 PolarHBondContact OD2-NH1 3.42Å; D101-R106 IonicContact OD2-NH2 2.86Å; R104-R106 PolarHBondContact O-N 2.76Å; R104-R106 VanDerWaalsContact O-N 3.08Å; R106-R141 PolarHBondContact O-NH1 2.87Å; R106-R141 PolarHBondContact O-NH2 3.25Å
107Y87.9Confident90.1Very high61 Ų6168.2 Ų68.224%0.23934%0.34CS..PPolyproline II helixtrans-74.9155.5178.6-60.7-66.1000111.1L105 K111 Q114 F116L105-Y107 HydrophobicContact CD1-CE1 3.85Å; L105-Y107 HydrophobicContact CD1-CE2 4.36Å; L105-Y107 WeakPolarHBondContact CD1-OH 3.45Å; L105-Y107 HydrophobicContact CD2-CE2 4.3Å; L105-Y107 HydrophobicContact CG-CE2 4.19Å; Y107-K111 WeakPolarHBondContact CD1-O 3.22Å; Y107-Q114 WeakPolarHBondContact CE1-O 3.16Å; Y107-F116 HydrophobicContact CD1-CD1 4.01Å; Y107-F116 AromaticContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CE1-CD1 4.17Å; Y107-F116 HydrophobicContact CE1-CE1 4.13Å
108E85.3Confident90.2Very high29 Ų2966.6 Ų66.614%0.13633%0.332CS..PPolyproline II helixtrans-75.1154.1162.5-69.3-174.4153.200108.8N110 K111 N140E108-N110 PolarHBondContact O-N 3.09Å; E108-K111 HydrophobicContact CB-CD 4.37Å; E108-K111 PolarHBondContact O-N 3.14Å; E108-K111 VanDerWaalsContact O-N 3.14Å; E108-K111 IonicContact OE2-NZ 2.82Å; E108-K111 PolarHBondContact OE2-NZ 3.45Å; E108-N140 PolarHBondContact OE1-N 3.06Å
109P81.9Confident90.3Very high110 Ų11070.4 Ų70.471%0.71435%0.35SS*.THydrogen-bonded Turntrans-50.4135.1170.6-21.731.8000109.9K111P109-K111 VanDerWaalsContact C-N 3.32Å; P109-K111 PolarHBondContact O-N 3.12Å
110N80.4Confident90.5Very high163 Ų16367 Ų6787%0.87234%0.337SS*.THydrogen-bonded Turntrans71.77.2179.7-46.4-30.6000116.8E108E108-N110 PolarHBondContact O-N 3.09Å
111K80.4Confident90.6Very high93 Ų9370 Ų7040%0.40436%0.355SS..  trans-121.934.4176.4-63-177.1-174162.60113Y107 E108 P109Y107-K111 WeakPolarHBondContact CD1-O 3.22Å; E108-K111 HydrophobicContact CB-CD 4.37Å; E108-K111 PolarHBondContact O-N 3.14Å; E108-K111 VanDerWaalsContact O-N 3.14Å; E108-K111 IonicContact OE2-NZ 2.82Å; E108-K111 PolarHBondContact OE2-NZ 3.45Å; P109-K111 VanDerWaalsContact C-N 3.32Å; P109-K111 PolarHBondContact O-N 3.12Å
112E82.3Confident90.7Very high158 Ų15872 Ų7274%0.73836%0.364SS*.THydrogen-bonded Turntrans-68.7141.8-177.6-61.1-172.8175.400111.3Q114E112-Q114 PolarHBondContact O-N 3.17Å
113G79.9Confident90.8Very high48 Ų4871.7 Ų71.750%0.49537%0.367SS..THydrogen-bonded Turntrans79.6-10.1176.200000115.9
114Q86.4Confident90.9Very high125 Ų12574.9 Ų74.958%0.58438%0.377SS*.  trans-92.2134.3178.5-66.3-177.3-4.600112.1Y107 E112Y107-Q114 WeakPolarHBondContact CE1-O 3.16Å; E112-Q114 PolarHBondContact O-N 3.17Å
115P91.8Very high91.1Very high68 Ų6880.9 Ų80.944%0.44240%0.401SS..  trans-61.7143.116928.4-33.8000109.8T159P115-T159 WeakPolarHBondContact CA-O 3.21Å
116F94.1Very high91.3Very high42 Ų4279.2 Ų79.218%0.18439%0.392CS..EExtended strand (participates in β ladder)trans-131.4153.2178.262.9-92.6000111.2L105 Y107 E118 R141 T159L105-F116 HydrophobicContact CD1-CE1 4.33Å; Y107-F116 HydrophobicContact CD1-CD1 4.01Å; Y107-F116 AromaticContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CD1-CE1 3.96Å; Y107-F116 HydrophobicContact CE1-CD1 4.17Å; Y107-F116 HydrophobicContact CE1-CE1 4.13Å; F116-E118 HydrophobicContact CD2-CG 3.87Å; F116-E118 HydrophobicContact CE2-CG 3.9Å; F116-R141 VanDerWaalsContact CZ-NH2 3.31Å; F116-T159 HydrophobicContact CE1-CG2 4.02Å; F116-T159 HydrophobicContact CE2-CG2 4.23Å; F116-T159 HydrophobicContact CZ-CG2 3.66Å; F116-T159 PolarHBondContact N-O 3.42Å; F116-T159 PolarHBondContact O-N 2.99Å
117E95.3Very high91.5Very high113 Ų11376.6 Ų76.653%0.52839%0.387SS..EExtended strand (participates in β ladder)trans-112.9141.6-179-66.5175.8-174.100109.7I156 I157 K158E117-I156 HydrophobicContact CB-CG2 3.92Å; E117-I156 HydrophobicContact CG-CG2 4.35Å; E117-I157 CarbonylContact C-O 3.56Å; E117-I157 WeakPolarHBondContact CA-O 3.29Å; E117-K158 HydrophobicContact CG-CB 4.39Å; E117-K158 HydrophobicContact CG-CG 4.28Å
118E96.8Very high91.9Very high2 Ų276 Ų761%0.00939%0.391CS..EExtended strand (participates in β ladder)trans-127.9132.8179.7-62.8-177.9143.100108.9R104 F116 L136 R141 R143 I157R104-E118 IonicContact CZ-OE2 3.88Å; R104-E118 IonicContact NH1-OE2 3.93Å; R104-E118 PolarHBondContact NH1-OE2 2.8Å; F116-E118 HydrophobicContact CD2-CG 3.87Å; F116-E118 HydrophobicContact CE2-CG 3.9Å; E118-L136 HydrophobicContact CB-CB 4.14Å; E118-L136 HydrophobicContact CB-CD2 3.93Å; E118-L136 HydrophobicContact CB-CG 4.3Å; E118-L136 VanDerWaalsContact OE2-CD2 3.3Å; E118-L136 WeakPolarHBondContact OE2-CD2 3.02Å; E118-R141 IonicContact OE1-NE 3.99Å; E118-R141 IonicContact OE1-NH2 3.03Å; E118-R143 IonicContact OE1-CZ 2.82Å; E118-R143 IonicContact OE1-NE 3.21Å; E118-R143 PolarHBondContact OE1-NE 3.08Å; E118-R143 IonicContact OE1-NH2 2.9Å; E118-R143 PolarHBondContact OE1-NH2 3.48Å; E118-R143 IonicContact OE2-CZ 3.58Å; E118-R143 IonicContact OE2-NE 3.05Å; E118-R143 PolarHBondContact OE2-NE 3.03Å; E118-R143 IonicContact OE2-NH2 3.21Å; E118-R143 PolarHBondContact OE2-NH2 3.07Å; E118-I157 PolarHBondContact N-O 3.26Å; E118-I157 PolarHBondContact O-N 2.95Å
119K97.8Very high92.4Very high124 Ų12477.1 Ų77.154%0.53939%0.394SS..EExtended strand (participates in β ladder)trans-87.2133.9175.1-173173.3-177.9173.60110.3V121 L136 A137 D155K119-V121 PolarHBondContact O-N 2.86Å; K119-L136 WeakPolarHBondContact O-CA 3.08Å; K119-A137 PolarHBondContact N-O 3.42Å; K119-A137 PolarHBondContact O-N 3.23Å; K119-D155 CarbonylContact C-O 3.56Å; K119-D155 WeakPolarHBondContact CA-O 3.27Å
120V98.3Very high93.2Very high1 Ų173.6 Ų73.61%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-74.3120.6171.8-175.40000108.9V123 A134 L136 M151 Q152 G154 D155 I157V120-V123 HydrophobicContact CG1-CG2 4.05Å; V120-A134 HydrophobicContact CG1-CB 4.3Å; V120-L136 HydrophobicContact CG2-CD1 4.32Å; V120-L136 HydrophobicContact CG2-CG 4.44Å; V120-M151 HydrophobicContact CG1-CG 4.27Å; V120-M151 HydrophobicContact CG2-CG 3.87Å; V120-M151 HydrophobicContact CG2-SD 4.01Å; V120-Q152 VanDerWaalsContact CB-O 3.29Å; V120-Q152 WeakPolarHBondContact CB-O 3.29Å; V120-Q152 VanDerWaalsContact CG1-O 3.23Å; V120-Q152 WeakPolarHBondContact CG1-O 3.41Å; V120-G154 PolarHBondContact O-N 2.89Å; V120-D155 HydrophobicContact CB-CB 4.4Å; V120-D155 HydrophobicContact CG2-CB 4.03Å; V120-D155 PolarHBondContact N-O 2.87Å; V120-I157 HydrophobicContact CG2-CD1 3.3Å; V120-I157 HydrophobicContact CG2-CG1 3.97Å
121V97.8Very high94Very high70 Ų7065.8 Ų65.842%0.42433%0.33SS..EExtended strand (participates in β ladder)trans-88.3-51.8179.1-179.10000110.4K119 L135 A137K119-V121 PolarHBondContact O-N 2.86Å; V121-L135 HydrophobicContact CB-CB 4.35Å; V121-L135 HydrophobicContact CB-CD2 4.29Å; V121-L135 HydrophobicContact CB-CG 4.27Å; V121-L135 WeakPolarHBondContact CB-O 3.47Å; V121-L135 HydrophobicContact CG1-CD2 4.29Å; V121-L135 PolarHBondContact N-O 3.44Å; V121-A137 HydrophobicContact CG2-CB 3.61Å
122E97.7Very high94.9Very high54 Ų5463.1 Ų63.125%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-153.3148.3179.858.4172.5-177.400111.1R124 A134 L135 W144E122-R124 VanDerWaalsContact CD-CD 3.45Å; E122-R124 HydrophobicContact CG-CG 4.18Å; E122-R124 WeakPolarHBondContact OE1-CD 3.44Å; E122-R124 IonicContact OE1-CZ 2.87Å; E122-R124 IonicContact OE1-NE 3.82Å; E122-R124 IonicContact OE1-NH1 2.84Å; E122-R124 PolarHBondContact OE1-NH1 3.02Å; E122-R124 WeakPolarHBondContact OE2-CD 3.4Å; E122-R124 IonicContact OE2-CZ 3.91Å; E122-R124 IonicContact OE2-NE 3.51Å; E122-R124 PolarHBondContact OE2-NE 3.39Å; E122-R124 IonicContact OE2-NH1 2.95Å; E122-R124 PolarHBondContact OE2-NH1 2.9Å; E122-A134 CarbonylContact O-C 3.59Å; E122-A134 WeakPolarHBondContact O-CA 3.26Å; E122-L135 HydrophobicContact CG-CB 3.78Å; E122-L135 HydrophobicContact CG-CD2 4.18Å; E122-L135 PolarHBondContact O-N 3.02Å; E122-W144 HydrophobicContact CG-CH2 4.4Å; E122-W144 WeakPolarHBondContact OE1-CH2 3.43Å
123V97.9Very high95.6Very high56 Ų5655.6 Ų55.634%0.33929%0.285SS..EExtended strand (participates in β ladder)trans-109.1130.5169.6-177.70000108.2V120 D132 I133 A134 A147 M151V120-V123 HydrophobicContact CG1-CG2 4.05Å; V123-D132 HydrophobicContact CG1-CB 4.32Å; V123-I133 CarbonylContact C-O 3.59Å; V123-I133 WeakPolarHBondContact CA-O 3.28Å; V123-A134 HydrophobicContact CG2-CB 4.17Å; V123-A147 HydrophobicContact CG1-CB 4.05Å; V123-M151 HydrophobicContact CG2-CG 4.37Å
124R97.6Very high96.5Very high119 Ų11953.3 Ų53.345%0.44926%0.262SS..EExtended strand (participates in β ladder)trans-140153.9-173.5-62.7-170.6108.4144.9-1.2112.8E122 I133E122-R124 VanDerWaalsContact CD-CD 3.45Å; E122-R124 HydrophobicContact CG-CG 4.18Å; E122-R124 WeakPolarHBondContact OE1-CD 3.44Å; E122-R124 IonicContact OE1-CZ 2.87Å; E122-R124 IonicContact OE1-NE 3.82Å; E122-R124 IonicContact OE1-NH1 2.84Å; E122-R124 PolarHBondContact OE1-NH1 3.02Å; E122-R124 WeakPolarHBondContact OE2-CD 3.4Å; E122-R124 IonicContact OE2-CZ 3.91Å; E122-R124 IonicContact OE2-NE 3.51Å; E122-R124 PolarHBondContact OE2-NE 3.39Å; E122-R124 IonicContact OE2-NH1 2.95Å; E122-R124 PolarHBondContact OE2-NH1 2.9Å; R124-I133 PolarHBondContact N-O 2.82Å; R124-I133 WeakPolarHBondContact O-CG1 2.91Å; R124-I133 PolarHBondContact O-N 2.94Å
125Y97.8Very high97.1Very high136 Ų13648 Ų4853%0.53324%0.237SC..  trans-64.9137.3168.4173.8-106.9000112.9R98 P127R98-Y125 PolarHBondContact NH1-O 2.95Å; Y125-P127 HydrophobicContact CE1-CB 4.05Å
126D97.6Very high97.3Very high0 Ų044.8 Ų44.80%022%0.216CC..  trans-117.9123.6171.8-167.762.8000113.5R98 C128 R129 I133R98-D126 IonicContact NH1-OD1 3.04Å; R98-D126 PolarHBondContact NH1-OD1 3.05Å; D126-C128 VanDerWaalsContact C-N 3.27Å; D126-C128 PolarHBondContact O-N 3.29Å; D126-C128 WeakPolarHBondContact OD2-CB 3.28Å; D126-C128 PolarHBondContact OD2-N 2.81Å; D126-C128 VanDerWaalsContact OD2-N 3.15Å; D126-R129 HydrophobicContact CB-CG 4.04Å; D126-R129 IonicContact OD1-NH1 3.48Å; D126-R129 IonicContact OD2-CZ 3.63Å; D126-R129 IonicContact OD2-NE 3.6Å; D126-R129 IonicContact OD2-NH1 3.56Å; D126-R129 PolarHBondContact OD2-NH1 2.96Å; D126-R129 IonicContact OD2-NH2 2.78Å; D126-I133 HydrophobicContact CB-CD1 3.99Å; D126-I133 HydrophobicContact CB-CG1 4.11Å; D126-I133 HydrophobicContact CB-CG2 4.15Å
127P96.4Very high97.4Very high36 Ų3644 Ų4423%0.23422%0.218CC..THydrogen-bonded Turntrans-76.5-9.6-178.632-37.1000114.3Q95 Y125Q95-P127 HydrophobicContact CB-CG 4.43Å; Q95-P127 HydrophobicContact CG-CB 3.99Å; Q95-P127 HydrophobicContact CG-CG 4.32Å; Q95-P127 PolarHBondContact NE2-O 3Å; Q95-P127 VanDerWaalsContact NE2-O 3.08Å; Y125-P127 HydrophobicContact CE1-CB 4.05Å
128C96.2Very high97.3Very high49 Ų4939.4 Ų39.433%0.33120%0.2SC..THydrogen-bonded Turntrans-94.2-7.3-176.5-65.10000113.7D126D126-C128 VanDerWaalsContact C-N 3.27Å; D126-C128 PolarHBondContact O-N 3.29Å; D126-C128 WeakPolarHBondContact OD2-CB 3.28Å; D126-C128 PolarHBondContact OD2-N 2.81Å; D126-C128 VanDerWaalsContact OD2-N 3.15Å
129R96.6Very high97Very high53 Ų5342.2 Ų42.220%0.223%0.23CC..SBendtrans-145.8170179.164.6-168.365.995.42.6110.1R98 V100 D126 A131R98-R129 PolarHBondContact O-NH2 2.82Å; V100-R129 VanDerWaalsContact CG2-NH2 3.29Å; D126-R129 HydrophobicContact CB-CG 4.04Å; D126-R129 IonicContact OD1-NH1 3.48Å; D126-R129 IonicContact OD2-CZ 3.63Å; D126-R129 IonicContact OD2-NE 3.6Å; D126-R129 IonicContact OD2-NH1 3.56Å; D126-R129 PolarHBondContact OD2-NH1 2.96Å; D126-R129 IonicContact OD2-NH2 2.78Å; R129-A131 WeakPolarHBondContact CG-O 3.38Å
130S97.9Very high96.7Very high35 Ų3543.9 Ų43.925%0.24525%0.245CC..SBendtrans-81.4-33.7177.950.20000113A204 N243S130-A204 PolarHBondContact OG-N 3.15Å; S130-N243 PolarHBondContact O-ND2 3.47Å; S130-N243 VanDerWaalsContact O-ND2 3.11Å
131A98.1Very high96.4Very high0 Ų046.3 Ų46.30%025%0.254CS..SBendtrans-76.5154.5179.900000112R129 V146 A204 V241R129-A131 WeakPolarHBondContact CG-O 3.38Å; A131-V146 HydrophobicContact CB-CG1 4Å; A131-A204 HydrophobicContact CB-CB 4.43Å; A131-V241 HydrophobicContact CB-CG1 3.38Å
132D98.2Very high96.3Very high36 Ų3648.5 Ų48.519%0.19326%0.258CS..  trans-80162.9171.4-61.1-42.9000110.5V123 A147 S242V123-D132 HydrophobicContact CG1-CB 4.32Å; D132-A147 PolarHBondContact O-N 3.33Å; D132-S242 PolarHBondContact N-OG 2.97Å; D132-S242 PolarHBondContact O-OG 3.01Å
133I98.1Very high96.3Very high0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-120.6149179.456.3176.4000111.5R98 V100 V123 R124 D126 W144 I145R98-I133 HydrophobicContact CB-CD1 4.14Å; R98-I133 HydrophobicContact CG-CD1 4.41Å; V100-I133 HydrophobicContact CG2-CG2 3.91Å; V123-I133 CarbonylContact C-O 3.59Å; V123-I133 WeakPolarHBondContact CA-O 3.28Å; R124-I133 PolarHBondContact N-O 2.82Å; R124-I133 WeakPolarHBondContact O-CG1 2.91Å; R124-I133 PolarHBondContact O-N 2.94Å; D126-I133 HydrophobicContact CB-CD1 3.99Å; D126-I133 HydrophobicContact CB-CG1 4.11Å; D126-I133 HydrophobicContact CB-CG2 4.15Å; I133-W144 HydrophobicContact CB-CE3 4.11Å; I133-W144 HydrophobicContact CD1-CD2 3.89Å; I133-W144 HydrophobicContact CD1-CE3 3.51Å; I133-W144 HydrophobicContact CD1-CG 4.44Å; I133-W144 HydrophobicContact CD1-CZ3 3.86Å; I133-W144 HydrophobicContact CG1-CE3 3.77Å; I133-W144 HydrophobicContact CG1-CZ3 3.95Å; I133-I145 VanDerWaalsContact CA-O 3.26Å; I133-I145 WeakPolarHBondContact CA-O 3.34Å; I133-I145 VanDerWaalsContact CB-O 3.32Å; I133-I145 WeakPolarHBondContact CB-O 3.24Å
134A98.2Very high96.3Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-113.4135.417500000109.8V120 E122 V123 L136 W144 I145 A147 M151V120-A134 HydrophobicContact CG1-CB 4.3Å; E122-A134 CarbonylContact O-C 3.59Å; E122-A134 WeakPolarHBondContact O-CA 3.26Å; V123-A134 HydrophobicContact CG2-CB 4.17Å; A134-L136 HydrophobicContact CB-CD1 3.53Å; A134-W144 WeakPolarHBondContact O-CA 3.42Å; A134-I145 HydrophobicContact CB-CG1 4.16Å; A134-I145 PolarHBondContact N-O 3.39Å; A134-I145 PolarHBondContact O-N 2.9Å; A134-A147 HydrophobicContact CB-CB 4.06Å; A134-M151 HydrophobicContact CB-SD 3.42Å; A134-M151 WeakPolarHBondContact CB-SD 3.48Å
135L98.1Very high96.3Very high15 Ų1538.5 Ų38.58%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-86.8118.5167.2-176.660.9000108I67 V121 E122 K142 W144I67-L135 HydrophobicContact CG2-CD1 3.77Å; V121-L135 HydrophobicContact CB-CB 4.35Å; V121-L135 HydrophobicContact CB-CD2 4.29Å; V121-L135 HydrophobicContact CB-CG 4.27Å; V121-L135 WeakPolarHBondContact CB-O 3.47Å; V121-L135 HydrophobicContact CG1-CD2 4.29Å; V121-L135 PolarHBondContact N-O 3.44Å; E122-L135 HydrophobicContact CG-CB 3.78Å; E122-L135 HydrophobicContact CG-CD2 4.18Å; E122-L135 PolarHBondContact O-N 3.02Å; L135-K142 HydrophobicContact CD1-CB 4.28Å; L135-W144 HydrophobicContact CB-CD2 4.43Å; L135-W144 HydrophobicContact CB-CE3 3.85Å; L135-W144 HydrophobicContact CB-CH2 3.74Å; L135-W144 HydrophobicContact CB-CZ2 4.33Å; L135-W144 HydrophobicContact CB-CZ3 3.5Å; L135-W144 VanDerWaalsContact CB-CZ3 3.5Å; L135-W144 HydrophobicContact CD1-CD2 4.1Å; L135-W144 HydrophobicContact CD1-CE3 4.36Å; L135-W144 HydrophobicContact CD1-CH2 4.45Å; L135-W144 HydrophobicContact CD1-CZ2 4.19Å; L135-W144 HydrophobicContact CD2-CH2 4.39Å; L135-W144 HydrophobicContact CD2-CZ2 4.47Å; L135-W144 HydrophobicContact CG-CH2 4.42Å
136L97.4Very high96.3Very high0 Ų032.3 Ų32.30%019%0.188CC..EExtended strand (participates in β ladder)trans-106.8145.9176.8-82.261000109.4E118 K119 V120 A134 K142 R143 I145 I157E118-L136 HydrophobicContact CB-CB 4.14Å; E118-L136 HydrophobicContact CB-CD2 3.93Å; E118-L136 HydrophobicContact CB-CG 4.3Å; E118-L136 VanDerWaalsContact OE2-CD2 3.3Å; E118-L136 WeakPolarHBondContact OE2-CD2 3.02Å; K119-L136 WeakPolarHBondContact O-CA 3.08Å; V120-L136 HydrophobicContact CG2-CD1 4.32Å; V120-L136 HydrophobicContact CG2-CG 4.44Å; A134-L136 HydrophobicContact CB-CD1 3.53Å; L136-K142 CarbonylContact O-C 3.43Å; L136-K142 WeakPolarHBondContact O-CA 3.29Å; L136-R143 PolarHBondContact N-O 2.84Å; L136-R143 PolarHBondContact O-N 2.95Å; L136-I145 HydrophobicContact CD1-CD1 3.69Å; L136-I145 HydrophobicContact CD1-CG1 3.56Å; L136-I145 HydrophobicContact CD2-CD1 3.42Å; L136-I145 VanDerWaalsContact CD2-CD1 3.42Å; L136-I145 HydrophobicContact CD2-CG1 4.05Å; L136-I145 HydrophobicContact CD2-CG2 4.44Å; L136-I145 HydrophobicContact CG-CD1 4.21Å; L136-I145 HydrophobicContact CG-CG1 4.43Å; L136-I157 HydrophobicContact CD2-CD1 4.03Å; L136-I157 HydrophobicContact CG-CD1 4.47Å
137A96.8Very high96.3Very high25 Ų2532.3 Ų32.321%0.20719%0.188CC..EExtended strand (participates in β ladder)trans-126.5129171.700000109.3K119 V121 K142K119-A137 PolarHBondContact N-O 3.42Å; K119-A137 PolarHBondContact O-N 3.23Å; V121-A137 HydrophobicContact CG2-CB 3.61Å; A137-K142 HydrophobicContact CB-CD 4.44Å; A137-K142 HydrophobicContact CB-CG 3.87Å
138G92.9Very high96.4Very high16 Ų1630.7 Ų30.717%0.16518%0.177CC..EExtended strand (participates in β ladder)trans-156.9139.4175.700000109.8N140 R141G138-N140 PolarHBondContact O-N 3.08Å; G138-N140 VanDerWaalsContact O-N 3.16Å; G138-R141 PolarHBondContact N-O 2.87Å; G138-R141 VanDerWaalsContact N-O 3.14Å; G138-R141 WeakPolarHBondContact O-CG 3.42Å; G138-R141 PolarHBondContact O-N 2.82Å; G138-R141 VanDerWaalsContact O-N 3.16Å
139G89.4Confident96.4Very high61 Ų6131.7 Ų31.763%0.62918%0.177SC*.THydrogen-bonded Turntrans53-120.4-172.400000111.4
140N91.1Very high96.4Very high159 Ų15936 Ų3685%0.8520%0.197SC*.THydrogen-bonded Turntrans-106.311.1-175.6-68.2-13.5000113.4E108 G138E108-N140 PolarHBondContact OE1-N 3.06Å; G138-N140 PolarHBondContact O-N 3.08Å; G138-N140 VanDerWaalsContact O-N 3.16Å
141R93.2Very high96.4Very high52 Ų5235.2 Ų35.220%0.19619%0.19CC..EExtended strand (participates in β ladder)trans-128.6156.6-175.968.7-177.5-171.5-168.3-2112.9R106 F116 E118 G138R106-R141 PolarHBondContact O-NH1 2.87Å; R106-R141 PolarHBondContact O-NH2 3.25Å; F116-R141 VanDerWaalsContact CZ-NH2 3.31Å; E118-R141 IonicContact OE1-NE 3.99Å; E118-R141 IonicContact OE1-NH2 3.03Å; G138-R141 PolarHBondContact N-O 2.87Å; G138-R141 VanDerWaalsContact N-O 3.14Å; G138-R141 WeakPolarHBondContact O-CG 3.42Å; G138-R141 PolarHBondContact O-N 2.82Å; G138-R141 VanDerWaalsContact O-N 3.16Å
142K95.9Very high96.3Very high117 Ų11741.5 Ų41.551%0.50922%0.219SC..EExtended strand (participates in β ladder)trans-128.4140.3169.4-60.1179.5-176.6179.50109.3I67 L135 L136 A137I67-K142 HydrophobicContact CD1-CB 3.58Å; I67-K142 WeakPolarHBondContact CD1-O 3.2Å; I67-K142 HydrophobicContact CG1-CB 4.38Å; I67-K142 WeakPolarHBondContact CG1-O 3.4Å; L135-K142 HydrophobicContact CD1-CB 4.28Å; L136-K142 CarbonylContact O-C 3.43Å; L136-K142 WeakPolarHBondContact O-CA 3.29Å; A137-K142 HydrophobicContact CB-CD 4.44Å; A137-K142 HydrophobicContact CB-CG 3.87Å
143R96.8Very high96.2Very high6 Ų643 Ų432%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-147.8152.4-178.959.9-177.5177.41623.1112.6Y65 D101 Q103 R104 E118 L136 I145Y65-R143 HydrophobicContact CE1-CB 4.11Å; Y65-R143 VanDerWaalsContact OH-CA 3.31Å; Y65-R143 WeakPolarHBondContact OH-CA 3.46Å; D101-R143 HydrophobicContact CB-CB 4.43Å; D101-R143 WeakPolarHBondContact OD2-CD 3.41Å; D101-R143 IonicContact OD2-CZ 3.61Å; D101-R143 IonicContact OD2-NH1 3.42Å; D101-R143 PolarHBondContact OD2-NH1 2.72Å; Q103-R143 PolarHBondContact O-NH1 2.75Å; Q103-R143 VanDerWaalsContact O-NH1 3.08Å; R104-R143 PolarHBondContact O-NH1 3.06Å; R104-R143 PolarHBondContact O-NH2 2.9Å; E118-R143 IonicContact OE1-CZ 2.82Å; E118-R143 IonicContact OE1-NE 3.21Å; E118-R143 PolarHBondContact OE1-NE 3.08Å; E118-R143 IonicContact OE1-NH2 2.9Å; E118-R143 PolarHBondContact OE1-NH2 3.48Å; E118-R143 IonicContact OE2-CZ 3.58Å; E118-R143 IonicContact OE2-NE 3.05Å; E118-R143 PolarHBondContact OE2-NE 3.03Å; E118-R143 IonicContact OE2-NH2 3.21Å; E118-R143 PolarHBondContact OE2-NH2 3.07Å; L136-R143 PolarHBondContact N-O 2.84Å; L136-R143 PolarHBondContact O-N 2.95Å; R143-I145 HydrophobicContact CG-CG2 4.43Å
144W97.8Very high96.2Very high10 Ų1044.8 Ų44.84%0.03826%0.255CS..EExtended strand (participates in β ladder)trans-88.6130.5172.4-67.1109.5000109Y65 I67 V100 D101 E122 I133 A134 L135Y65-W144 PolarHBondContact OH-N 2.89Å; I67-W144 HydrophobicContact CG2-CZ2 4.26Å; I67-W144 VanDerWaalsContact CG2-NE1 3.34Å; I67-W144 PolarHBondContact O-NE1 3.14Å; V100-W144 WeakPolarHBondContact CA-O 3.49Å; V100-W144 HydrophobicContact CG2-CB 3.93Å; D101-W144 PolarHBondContact N-O 2.97Å; E122-W144 HydrophobicContact CG-CH2 4.4Å; E122-W144 WeakPolarHBondContact OE1-CH2 3.43Å; I133-W144 HydrophobicContact CB-CE3 4.11Å; I133-W144 HydrophobicContact CD1-CD2 3.89Å; I133-W144 HydrophobicContact CD1-CE3 3.51Å; I133-W144 HydrophobicContact CD1-CG 4.44Å; I133-W144 HydrophobicContact CD1-CZ3 3.86Å; I133-W144 HydrophobicContact CG1-CE3 3.77Å; I133-W144 HydrophobicContact CG1-CZ3 3.95Å; A134-W144 WeakPolarHBondContact O-CA 3.42Å; L135-W144 HydrophobicContact CB-CD2 4.43Å; L135-W144 HydrophobicContact CB-CE3 3.85Å; L135-W144 HydrophobicContact CB-CH2 3.74Å; L135-W144 HydrophobicContact CB-CZ2 4.33Å; L135-W144 HydrophobicContact CB-CZ3 3.5Å; L135-W144 VanDerWaalsContact CB-CZ3 3.5Å; L135-W144 HydrophobicContact CD1-CD2 4.1Å; L135-W144 HydrophobicContact CD1-CE3 4.36Å; L135-W144 HydrophobicContact CD1-CH2 4.45Å; L135-W144 HydrophobicContact CD1-CZ2 4.19Å; L135-W144 HydrophobicContact CD2-CH2 4.39Å; L135-W144 HydrophobicContact CD2-CZ2 4.47Å; L135-W144 HydrophobicContact CG-CH2 4.42Å
145I97.6Very high96.1Very high3 Ų347.8 Ų47.82%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-121.7169.816970.2166.3000110I133 A134 L136 R143 M151I133-I145 VanDerWaalsContact CA-O 3.26Å; I133-I145 WeakPolarHBondContact CA-O 3.34Å; I133-I145 VanDerWaalsContact CB-O 3.32Å; I133-I145 WeakPolarHBondContact CB-O 3.24Å; A134-I145 HydrophobicContact CB-CG1 4.16Å; A134-I145 PolarHBondContact N-O 3.39Å; A134-I145 PolarHBondContact O-N 2.9Å; L136-I145 HydrophobicContact CD1-CD1 3.69Å; L136-I145 HydrophobicContact CD1-CG1 3.56Å; L136-I145 HydrophobicContact CD2-CD1 3.42Å; L136-I145 VanDerWaalsContact CD2-CD1 3.42Å; L136-I145 HydrophobicContact CD2-CG1 4.05Å; L136-I145 HydrophobicContact CD2-CG2 4.44Å; L136-I145 HydrophobicContact CG-CD1 4.21Å; L136-I145 HydrophobicContact CG-CG1 4.43Å; R143-I145 HydrophobicContact CG-CG2 4.43Å; I145-M151 HydrophobicContact CD1-CE 4.32Å
146V97.9Very high96.1Very high5 Ų552.6 Ų52.63%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-72.5128167179.70000108.5V100 F102 A131 V241V100-V146 HydrophobicContact CG1-CG2 4.23Å; F102-V146 HydrophobicContact CD1-CG2 4.46Å; F102-V146 HydrophobicContact CE1-CG2 3.84Å; A131-V146 HydrophobicContact CB-CG1 4Å; V146-V241 HydrophobicContact CG1-CG1 3.7Å
147A98.2Very high96Very high0 Ų052.8 Ų52.80%030%0.297CS..PPolyproline II helixtrans-75.7144.1178.600000111.2V123 D132 A134 M151 S242V123-A147 HydrophobicContact CG1-CB 4.05Å; D132-A147 PolarHBondContact O-N 3.33Å; A134-A147 HydrophobicContact CB-CB 4.06Å; A147-M151 HydrophobicContact CB-SD 4.28Å; A147-S242 VanDerWaalsContact O-CB 3.27Å; A147-S242 WeakPolarHBondContact O-CB 3.13Å; A147-S242 PolarHBondContact O-N 3.26Å; A147-S242 PolarHBondContact O-OG 3.26Å
148T98.1Very high96Very high2 Ų255.1 Ų55.11%0.01230%0.302CS..BIsolated β-bridgetrans-84172168.958.40000110.9M151 E172 T237 R240 S242T148-M151 HydrophobicContact CG2-CE 4.11Å; T148-M151 VanDerWaalsContact OG1-CE 3.28Å; T148-M151 WeakPolarHBondContact OG1-CE 3.07Å; T148-E172 WeakPolarHBondContact CB-OE1 3.23Å; T148-E172 HydrophobicContact CG2-CG 4.42Å; T148-T237 HydrophobicContact CG2-CG2 3.94Å; T148-R240 CarbonylContact C-O 3.57Å; T148-R240 WeakPolarHBondContact CA-O 3.38Å; T148-R240 WeakPolarHBondContact CB-O 3.36Å; T148-S242 WeakPolarHBondContact O-CB 3.4Å
149E97Very high96.2Very high70 Ų7054.4 Ų54.433%0.32729%0.294SS..THydrogen-bonded Turntrans-60.2-47.4-172.1175-177.8153.500112.7E172 R240 I244E149-E172 WeakPolarHBondContact CA-OE1 3.46Å; E149-E172 VanDerWaalsContact CB-OE1 3.26Å; E149-E172 WeakPolarHBondContact CB-OE1 3.41Å; E149-E172 PolarHBondContact N-OE1 3.35Å; E149-R240 HydrophobicContact CB-CB 4.28Å; E149-R240 PolarHBondContact N-O 3.3Å; E149-R240 WeakPolarHBondContact OE2-CB 3.44Å; E149-R240 WeakPolarHBondContact OE2-CD 3.47Å; E149-R240 IonicContact OE2-CZ 3.86Å; E149-R240 IonicContact OE2-NE 3.74Å; E149-R240 IonicContact OE2-NH1 3.6Å; E149-I244 HydrophobicContact CG-CD1 3.52Å; E149-I244 HydrophobicContact CG-CG1 3.89Å; E149-I244 WeakPolarHBondContact OE1-CD1 3.24Å; E149-I244 VanDerWaalsContact OE2-CD1 3.29Å; E149-I244 WeakPolarHBondContact OE2-CD1 3.17Å
150K96.2Very high96.4Very high145 Ų14551.8 Ų51.863%0.6327%0.267SS*.THydrogen-bonded Turntrans-98.211.5-175.6-61.5-176.6-177.2177.50114.7Q152 E172K150-Q152 PolarHBondContact O-N 3.05Å; K150-E172 WeakPolarHBondContact CB-OE2 3.32Å; K150-E172 WeakPolarHBondContact CD-OE2 3.35Å; K150-E172 WeakPolarHBondContact CG-OE2 3.42Å; K150-E172 PolarHBondContact N-OE1 2.82Å; K150-E172 VanDerWaalsContact N-OE1 3.13Å
151M96.7Very high96.5Very high17 Ų1745.5 Ų45.58%0.08424%0.24CC..  trans-70.1124.7-176.2-166.2171.9-7000111.2V120 V123 A134 I145 A147 T148 I157V120-M151 HydrophobicContact CG1-CG 4.27Å; V120-M151 HydrophobicContact CG2-CG 3.87Å; V120-M151 HydrophobicContact CG2-SD 4.01Å; V123-M151 HydrophobicContact CG2-CG 4.37Å; A134-M151 HydrophobicContact CB-SD 3.42Å; A134-M151 WeakPolarHBondContact CB-SD 3.48Å; I145-M151 HydrophobicContact CD1-CE 4.32Å; A147-M151 HydrophobicContact CB-SD 4.28Å; T148-M151 HydrophobicContact CG2-CE 4.11Å; T148-M151 VanDerWaalsContact OG1-CE 3.28Å; T148-M151 WeakPolarHBondContact OG1-CE 3.07Å; M151-I157 HydrophobicContact CE-CD1 3.28Å; M151-I157 HydrophobicContact CE-CG1 4.4Å; M151-I157 HydrophobicContact CG-CD1 4.31Å; M151-I157 HydrophobicContact SD-CD1 3.72Å
152Q96.7Very high96.6Very high132 Ų13246.8 Ų46.862%0.61725%0.253SS*.  trans-120.3163.3178.1-60.4-172.516.100111.6V120 K150 D155V120-Q152 VanDerWaalsContact CB-O 3.29Å; V120-Q152 WeakPolarHBondContact CB-O 3.29Å; V120-Q152 VanDerWaalsContact CG1-O 3.23Å; V120-Q152 WeakPolarHBondContact CG1-O 3.41Å; K150-Q152 PolarHBondContact O-N 3.05Å; Q152-D155 PolarHBondContact N-OD2 2.86Å
153A97.3Very high96.5Very high68 Ų6844.4 Ų44.456%0.56225%0.245SC*.THydrogen-bonded Turntrans-69.9130.9173.900000109.9
154G96.9Very high96.3Very high37 Ų3746 Ų4638%0.38126%0.263SS..THydrogen-bonded Turntrans106.5-22.2-176.300000114.3V120V120-G154 PolarHBondContact O-N 2.89Å
155D97.3Very high96.1Very high64 Ų6457.6 Ų57.634%0.34231%0.307SS..  trans-60.7145.3-178.3-65.8-11.2000112K119 V120 Q152K119-D155 CarbonylContact C-O 3.56Å; K119-D155 WeakPolarHBondContact CA-O 3.27Å; V120-D155 HydrophobicContact CB-CB 4.4Å; V120-D155 HydrophobicContact CG2-CB 4.03Å; V120-D155 PolarHBondContact N-O 2.87Å; Q152-D155 PolarHBondContact N-OD2 2.86Å
156I96.8Very high96Very high116 Ų11665 Ų6560%0.59534%0.343SS*.EExtended strand (participates in β ladder)trans-103.7122.5174.1-58.9172.9000107.7E117E117-I156 HydrophobicContact CB-CG2 3.92Å; E117-I156 HydrophobicContact CG-CG2 4.35Å
157I96.6Very high95.9Very high4 Ų467.7 Ų67.72%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-112.4132.9-177.9-61.7167.8000109.4E117 E118 V120 L136 M151 G173E117-I157 CarbonylContact C-O 3.56Å; E117-I157 WeakPolarHBondContact CA-O 3.29Å; E118-I157 PolarHBondContact N-O 3.26Å; E118-I157 PolarHBondContact O-N 2.95Å; V120-I157 HydrophobicContact CG2-CD1 3.3Å; V120-I157 HydrophobicContact CG2-CG1 3.97Å; L136-I157 HydrophobicContact CD2-CD1 4.03Å; L136-I157 HydrophobicContact CG-CD1 4.47Å; M151-I157 HydrophobicContact CE-CD1 3.28Å; M151-I157 HydrophobicContact CE-CG1 4.4Å; M151-I157 HydrophobicContact CG-CD1 4.31Å; M151-I157 HydrophobicContact SD-CD1 3.72Å; I157-G173 VanDerWaalsContact CG2-C 3.46Å; I157-G173 WeakPolarHBondContact CG2-O 3.4Å
158K96Very high95.7Very high74 Ų7469.8 Ų69.832%0.32238%0.379SS..EExtended strand (participates in β ladder)trans-96.4136.6178.9-168.7162.3179.7165.80111.6E117 D174 A175E117-K158 HydrophobicContact CG-CB 4.39Å; E117-K158 HydrophobicContact CG-CG 4.28Å; K158-D174 PolarHBondContact N-OD1 3.09Å; K158-D174 CarbonylContact O-C 3.56Å; K158-D174 VanDerWaalsContact O-CA 3.29Å; K158-D174 WeakPolarHBondContact O-CA 3.5Å; K158-A175 PolarHBondContact O-N 3.4Å
159T96.3Very high95.6Very high0 Ų075.2 Ų75.20%042%0.417CS..EExtended strand (participates in β ladder)trans-123.7124.1170.2-59.50000109R104 L105 P115 F116 A175R104-T159 PolarHBondContact NH2-OG1 2.77Å; L105-T159 HydrophobicContact CB-CG2 4.35Å; L105-T159 HydrophobicContact CD1-CG2 3.76Å; P115-T159 WeakPolarHBondContact CA-O 3.21Å; F116-T159 HydrophobicContact CE1-CG2 4.02Å; F116-T159 HydrophobicContact CE2-CG2 4.23Å; F116-T159 HydrophobicContact CZ-CG2 3.66Å; F116-T159 PolarHBondContact N-O 3.42Å; F116-T159 PolarHBondContact O-N 2.99Å; T159-A175 WeakPolarHBondContact CA-O 3.36Å; T159-A175 HydrophobicContact CG2-CB 4.06Å
160S95.1Very high95.4Very high7 Ų773 Ų735%0.04941%0.41CS..  trans-137.2147.3175.278.40000111.7A175 Y176 P177S160-A175 PolarHBondContact N-O 3.09Å; S160-Y176 WeakPolarHBondContact OG-CD1 3.39Å; S160-Y176 WeakPolarHBondContact OG-CE1 3.43Å; S160-P177 VanDerWaalsContact O-CD 3.28Å; S160-P177 WeakPolarHBondContact O-CD 3.3Å
161G93.4Very high95.4Very high27 Ų2771.5 Ų71.528%0.27841%0.41SS..  trans-103.85.8173.400000113.8
162V93.3Very high95.4Very high79 Ų7973.6 Ų73.648%0.47942%0.419SS..  trans-86.8133.2-172.7-177.30000110.1
163I94.6Very high95.4Very high66 Ų6667.4 Ų67.434%0.33839%0.39SS..  trans-101.7104.7173.2-57.9170.8000107.6P177 E232 T233I163-P177 HydrophobicContact CD1-CB 4.3Å; I163-P177 HydrophobicContact CD1-CG 4.45Å; I163-P177 HydrophobicContact CG1-CB 3.91Å; I163-P177 HydrophobicContact CG1-CG 3.54Å; I163-E232 HydrophobicContact CD1-CG 4.05Å; I163-T233 HydrophobicContact CD1-CG2 3.87Å
164G92.2Very high95.4Very high39 Ų3964.6 Ų64.640%0.40237%0.366SS..  trans-80162175.100000112.4M166G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 2.91Å
165R93.7Very high95.4Very high255 Ų25562.9 Ų62.996%0.96235%0.348SS*.SBendtrans-63.9-36.1173-171.1179.1-167-95.71.4112.1
166M95.7Very high95.4Very high158 Ų15860.5 Ų60.578%0.77833%0.334SS*.SBendtrans-100.2148.2176.8-64.2178.871.400110.3G164G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 2.91Å
167A95.1Very high95.5Very high61 Ų6155 Ų5550%0.50431%0.306SS..PPolyproline II helixtrans-67.9142.9176.300000111.1A180 P182A167-A180 WeakPolarHBondContact CA-O 3.42Å; A167-P182 HydrophobicContact CB-CB 4.11Å; A167-P182 HydrophobicContact CB-CG 4.46Å
168V95.8Very high95.5Very high45 Ų4554.8 Ų54.827%0.27331%0.305SS..PPolyproline II helixtrans-89.3132.8179.1-178.70000110A170 Y176 A180 P182V168-A170 PolarHBondContact O-N 2.85Å; V168-A170 VanDerWaalsContact O-N 3.15Å; V168-Y176 HydrophobicContact CB-CE1 4.42Å; V168-Y176 HydrophobicContact CG1-CE1 3.91Å; V168-Y176 HydrophobicContact CG1-CE2 4.4Å; V168-Y176 HydrophobicContact CG2-CE1 4.41Å; V168-A180 HydrophobicContact CG2-CB 4.38Å; V168-A180 PolarHBondContact N-O 2.93Å; V168-P182 VanDerWaalsContact O-CD 3.25Å; V168-P182 WeakPolarHBondContact O-CD 3.38Å
169S94.1Very high95.5Very high115 Ų11551.7 Ų51.780%0.80429%0.294SS*.  trans-75.996.3165.4-174.70000108.9
170A94.4Very high95.6Very high24 Ų2451.7 Ų51.720%0.19829%0.294CS..PPolyproline II helixtrans-92139-175.400000111.9V168 Y176 L181 V238V168-A170 PolarHBondContact O-N 2.85Å; V168-A170 VanDerWaalsContact O-N 3.15Å; A170-Y176 HydrophobicContact CB-CD2 3.73Å; A170-Y176 HydrophobicContact CB-CE2 3.61Å; A170-L181 HydrophobicContact CB-CD2 3.75Å; A170-V238 HydrophobicContact CB-CB 4.32Å; A170-V238 HydrophobicContact CB-CG1 4.31Å; A170-V238 HydrophobicContact CB-CG2 3.73Å
171N96.3Very high95.7Very high114 Ų11451.4 Ų51.461%0.6129%0.292SS*.PPolyproline II helixtrans-82.7162.8172.4-65.5-36.3000110.6G173 D174N171-G173 PolarHBondContact O-N 3.5Å; N171-D174 WeakPolarHBondContact CB-OD2 3.41Å; N171-D174 PolarHBondContact N-OD2 3.5Å; N171-D174 WeakPolarHBondContact O-CB 3.26Å; N171-D174 PolarHBondContact O-N 3.12Å
172E96.6Very high95.9Very high61 Ų6152.4 Ų52.429%0.28529%0.294SS..THydrogen-bonded Turntrans-64.9134.4175.3178.3169.7-178.600111.1T148 E149 K150 D174T148-E172 WeakPolarHBondContact CB-OE1 3.23Å; T148-E172 HydrophobicContact CG2-CG 4.42Å; E149-E172 WeakPolarHBondContact CA-OE1 3.46Å; E149-E172 VanDerWaalsContact CB-OE1 3.26Å; E149-E172 WeakPolarHBondContact CB-OE1 3.41Å; E149-E172 PolarHBondContact N-OE1 3.35Å; K150-E172 WeakPolarHBondContact CB-OE2 3.32Å; K150-E172 WeakPolarHBondContact CD-OE2 3.35Å; K150-E172 WeakPolarHBondContact CG-OE2 3.42Å; K150-E172 PolarHBondContact N-OE1 2.82Å; K150-E172 VanDerWaalsContact N-OE1 3.13Å; E172-D174 VanDerWaalsContact C-N 3.33Å
173G95.9Very high96.1Very high1 Ų152.9 Ų52.91%0.0130%0.297CS..THydrogen-bonded Turntrans95-22.3-176.100000113.9I157 N171 T237 V238I157-G173 VanDerWaalsContact CG2-C 3.46Å; I157-G173 WeakPolarHBondContact CG2-O 3.4Å; N171-G173 PolarHBondContact O-N 3.5Å; G173-T237 WeakPolarHBondContact O-CG2 3.48Å; G173-V238 PolarHBondContact N-O 2.94Å
174D97.4Very high96.2Very high10 Ų1052 Ų525%0.05330%0.304CS..  trans-65.9149.1176.6-66.8-21.9000111.7K158 N171 E172 Y176 T237 V238K158-D174 PolarHBondContact N-OD1 3.09Å; K158-D174 CarbonylContact O-C 3.56Å; K158-D174 VanDerWaalsContact O-CA 3.29Å; K158-D174 WeakPolarHBondContact O-CA 3.5Å; N171-D174 WeakPolarHBondContact CB-OD2 3.41Å; N171-D174 PolarHBondContact N-OD2 3.5Å; N171-D174 WeakPolarHBondContact O-CB 3.26Å; N171-D174 PolarHBondContact O-N 3.12Å; E172-D174 VanDerWaalsContact C-N 3.33Å; D174-Y176 HydrophobicContact CB-CD2 3.92Å; D174-Y176 HydrophobicContact CB-CE2 3.46Å; D174-Y176 VanDerWaalsContact CB-CE2 3.46Å; D174-T237 CarbonylContact O-C 3.54Å; D174-T237 WeakPolarHBondContact O-CA 3.42Å; D174-V238 PolarHBondContact O-N 3.28Å
175A97.5Very high96.5Very high0 Ų051.3 Ų51.30%029%0.292CS..EExtended strand (participates in β ladder)trans-118.7124.9178.800000111.6R104 K158 T159 S160 I235 V236R104-A175 HydrophobicContact CB-CB 3.73Å; R104-A175 HydrophobicContact CG-CB 4.09Å; K158-A175 PolarHBondContact O-N 3.4Å; T159-A175 WeakPolarHBondContact CA-O 3.36Å; T159-A175 HydrophobicContact CG2-CB 4.06Å; S160-A175 PolarHBondContact N-O 3.09Å; A175-I235 HydrophobicContact CB-CG2 4.26Å; A175-V236 VanDerWaalsContact CA-O 3.23Å; A175-V236 WeakPolarHBondContact CA-O 3.4Å
176Y97.3Very high96.7Very high14 Ų1442.8 Ų42.86%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-139.4158-175.9-72.6-83.6000110.4S160 V168 A170 D174 L181 V236S160-Y176 WeakPolarHBondContact OG-CD1 3.39Å; S160-Y176 WeakPolarHBondContact OG-CE1 3.43Å; V168-Y176 HydrophobicContact CB-CE1 4.42Å; V168-Y176 HydrophobicContact CG1-CE1 3.91Å; V168-Y176 HydrophobicContact CG1-CE2 4.4Å; V168-Y176 HydrophobicContact CG2-CE1 4.41Å; A170-Y176 HydrophobicContact CB-CD2 3.73Å; A170-Y176 HydrophobicContact CB-CE2 3.61Å; D174-Y176 HydrophobicContact CB-CD2 3.92Å; D174-Y176 HydrophobicContact CB-CE2 3.46Å; D174-Y176 VanDerWaalsContact CB-CE2 3.46Å; Y176-L181 HydrophobicContact CD2-CD2 4.18Å; Y176-L181 HydrophobicContact CG-CD2 4.25Å; Y176-V236 PolarHBondContact N-O 3.21Å; Y176-V236 WeakPolarHBondContact O-CG2 3.11Å; Y176-V236 PolarHBondContact O-N 3.24Å
177P97.3Very high96.8Very high1 Ų135.3 Ų35.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-66.9147.9166.528.5-33.7000110.1S160 I163 G179 A180 C234 I235S160-P177 VanDerWaalsContact O-CD 3.28Å; S160-P177 WeakPolarHBondContact O-CD 3.3Å; I163-P177 HydrophobicContact CD1-CB 4.3Å; I163-P177 HydrophobicContact CD1-CG 4.45Å; I163-P177 HydrophobicContact CG1-CB 3.91Å; I163-P177 HydrophobicContact CG1-CG 3.54Å; P177-G179 PolarHBondContact O-N 2.66Å; P177-G179 VanDerWaalsContact O-N 3.16Å; P177-A180 HydrophobicContact CG-CB 3.86Å; P177-A180 PolarHBondContact O-N 3.32Å; P177-C234 WeakPolarHBondContact CA-O 3.29Å; P177-I235 HydrophobicContact CB-CD1 4.12Å
178L97.1Very high97Very high0 Ų032.4 Ų32.40%020%0.204CC..G310 helixtrans-54.7-34.4177.3-74.9169.1000112.7A180 L181 L190 L210 K213 A218 V220 V230 E232 C234 V236L178-A180 VanDerWaalsContact C-N 3.25Å; L178-A180 PolarHBondContact O-N 3.02Å; L178-L181 PolarHBondContact O-N 3.13Å; L178-L190 HydrophobicContact CD1-CD1 3.85Å; L178-L210 HydrophobicContact CD2-CD1 4.31Å; L178-K213 WeakPolarHBondContact O-CE 3.48Å; L178-K213 PolarHBondContact O-NZ 3.36Å; L178-A218 HydrophobicContact CB-CB 3.73Å; L178-A218 HydrophobicContact CD1-CB 3.82Å; L178-A218 HydrophobicContact CG-CB 4.28Å; L178-V220 HydrophobicContact CD1-CG2 4.03Å; L178-V220 HydrophobicContact CD2-CG2 3.9Å; L178-V230 HydrophobicContact CD1-CB 4.37Å; L178-V230 HydrophobicContact CD1-CG1 4.48Å; L178-E232 PolarHBondContact N-O 3.11Å; L178-C234 HydrophobicContact CD1-CB 4.31Å; L178-C234 PolarHBondContact N-O 2.92Å; L178-V236 HydrophobicContact CD1-CG1 4.28Å; L178-V236 HydrophobicContact CD2-CB 4.32Å; L178-V236 HydrophobicContact CD2-CG1 3.61Å; L178-V236 HydrophobicContact CD2-CG2 3.74Å; L178-V236 HydrophobicContact CG-CG1 3.79Å; L178-V236 HydrophobicContact CG-CG2 4.2Å
179G96.9Very high97Very high9 Ų930.6 Ų30.69%0.09319%0.193CC..G310 helixtrans-61.4-28176.800000114P177 K213 E232P177-G179 PolarHBondContact O-N 2.66Å; P177-G179 VanDerWaalsContact O-N 3.16Å; G179-K213 VanDerWaalsContact C-NZ 3.35Å; G179-K213 PolarHBondContact O-NZ 3.32Å; G179-E232 PolarHBondContact N-O 3.13Å
180A97.3Very high97.2Very high0 Ų025.2 Ų25.20%016%0.155CC..G310 helixtrans-86.5-18.2-179.300000113.9A167 V168 P177 L178A167-A180 WeakPolarHBondContact CA-O 3.42Å; V168-A180 HydrophobicContact CG2-CB 4.38Å; V168-A180 PolarHBondContact N-O 2.93Å; P177-A180 HydrophobicContact CG-CB 3.86Å; P177-A180 PolarHBondContact O-N 3.32Å; L178-A180 VanDerWaalsContact C-N 3.25Å; L178-A180 PolarHBondContact O-N 3.02Å
181L97.8Very high97.3Very high0 Ų024.4 Ų24.40%015%0.147CC..SBendtrans-87146.1-173.5-67.3177.2000112.9A170 Y176 L178 T185 V187 L210 K213 V236 V238A170-L181 HydrophobicContact CB-CD2 3.75Å; Y176-L181 HydrophobicContact CD2-CD2 4.18Å; Y176-L181 HydrophobicContact CG-CD2 4.25Å; L178-L181 PolarHBondContact O-N 3.13Å; L181-T185 HydrophobicContact CB-CG2 4.48Å; L181-V187 HydrophobicContact CD1-CG1 3.83Å; L181-L210 HydrophobicContact CB-CD2 4.1Å; L181-K213 VanDerWaalsContact O-CE 3.22Å; L181-K213 WeakPolarHBondContact O-CE 3.33Å; L181-K213 PolarHBondContact O-NZ 3.32Å; L181-V236 HydrophobicContact CD1-CG2 3.46Å; L181-V236 VanDerWaalsContact CD1-CG2 3.46Å; L181-V238 HydrophobicContact CD1-CG2 3.81Å; L181-V238 HydrophobicContact CD2-CG2 3.61Å; L181-V238 HydrophobicContact CG-CG2 4.39Å
182P97.6Very high97.2Very high49 Ų4919.7 Ų19.732%0.31812%0.122SC..PPolyproline II helixtrans-65.6152.6171.918.7-23.1000111.8A167 V168 T185A167-P182 HydrophobicContact CB-CB 4.11Å; A167-P182 HydrophobicContact CB-CG 4.46Å; V168-P182 VanDerWaalsContact O-CD 3.25Å; V168-P182 WeakPolarHBondContact O-CD 3.38Å; P182-T185 HydrophobicContact CB-CG2 4.29Å; P182-T185 HydrophobicContact CG-CG2 3.53Å; P182-T185 WeakPolarHBondContact O-CB 3.34Å; P182-T185 WeakPolarHBondContact O-CG2 3.16Å; P182-T185 PolarHBondContact O-N 3.2Å; P182-T185 PolarHBondContact O-OG1 2.83Å
183V97.4Very high97.1Very high89 Ų8920.1 Ų20.154%0.53912%0.124SC..THydrogen-bonded Turntrans-64.2143.2173.2174.10000109.6T185 L211V183-T185 VanDerWaalsContact C-N 3.33Å; V183-L211 WeakPolarHBondContact CG1-O 3.42Å
184G97.3Very high97.1Very high47 Ų4723.1 Ų23.149%0.48514%0.143SC..THydrogen-bonded Turntrans87.7-3.8-176.600000114.4L210G184-L210 WeakPolarHBondContact CA-O 3.45Å; G184-L210 PolarHBondContact N-O 2.97Å
185T97.8Very high96.8Very high24 Ų2424.9 Ų24.915%0.14716%0.164CC..  trans-62.9138.3176.844.50000112.4L181 P182 V183 V209 L210L181-T185 HydrophobicContact CB-CG2 4.48Å; P182-T185 HydrophobicContact CB-CG2 4.29Å; P182-T185 HydrophobicContact CG-CG2 3.53Å; P182-T185 WeakPolarHBondContact O-CB 3.34Å; P182-T185 WeakPolarHBondContact O-CG2 3.16Å; P182-T185 PolarHBondContact O-N 3.2Å; P182-T185 PolarHBondContact O-OG1 2.83Å; V183-T185 VanDerWaalsContact C-N 3.33Å; T185-V209 WeakPolarHBondContact O-CA 3.48Å; T185-L210 PolarHBondContact O-N 3.11Å; T185-L210 VanDerWaalsContact O-N 3.1Å
186L98.2Very high96.6Very high77 Ų7731.7 Ų31.740%0.40319%0.19SC..EExtended strand (participates in β ladder)trans-77.9127.2169.7-63.5-178.1000109.2G208 V209 G239 R240L186-G208 WeakPolarHBondContact CA-O 3.47Å; L186-V209 HydrophobicContact CD2-CG2 3.87Å; L186-G239 PolarHBondContact O-N 3.08Å; L186-R240 HydrophobicContact CD1-CG 4.2Å
187V97.9Very high96.4Very high0 Ų031.3 Ų31.30%019%0.19CC..EExtended strand (participates in β ladder)trans-132.4149.8-176.4-62.80000111.5L181 G208 V220 V236 T237 G239L181-V187 HydrophobicContact CD1-CG1 3.83Å; V187-G208 PolarHBondContact N-O 3.48Å; V187-G208 PolarHBondContact O-N 2.8Å; V187-V220 HydrophobicContact CG2-CG1 4.12Å; V187-V236 HydrophobicContact CB-CB 4.21Å; V187-V236 HydrophobicContact CB-CG2 4.24Å; V187-V236 HydrophobicContact CG1-CB 4.41Å; V187-V236 HydrophobicContact CG1-CG2 3.89Å; V187-T237 CarbonylContact C-O 3.52Å; V187-T237 WeakPolarHBondContact CA-O 3.38Å; V187-G239 CarbonylContact C-O 3.59Å
188N98.2Very high96.4Very high0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-135.1177.4171.571.538.7000110.8L190 I201 T237 G239 R240 V241N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.02Å; N188-I201 HydrophobicContact CB-CB 4.49Å; N188-I201 HydrophobicContact CB-CG2 3.85Å; N188-T237 PolarHBondContact N-O 3.45Å; N188-T237 PolarHBondContact O-N 3.39Å; N188-T237 VanDerWaalsContact OD1-CB 3.26Å; N188-T237 WeakPolarHBondContact OD1-CB 3.34Å; N188-G239 PolarHBondContact ND2-O 2.8Å; N188-R240 VanDerWaalsContact ND2-C 3.27Å; N188-R240 PolarHBondContact ND2-O 2.77Å; N188-V241 HydrophobicContact CB-CG2 3.7Å; N188-V241 PolarHBondContact ND2-N 3.32Å
189N97.7Very high96.3Very high8 Ų835.5 Ų35.54%0.04321%0.209CC..SBendtrans51.151-179.6-65.5-44.4000112.4E191 S198 Y200 I201 R202N189-E191 PolarHBondContact O-N 2.79Å; N189-S198 WeakPolarHBondContact O-CB 3.3Å; N189-Y200 CarbonylContact C-O 3.48Å; N189-Y200 WeakPolarHBondContact CA-O 3.43Å; N189-I201 PolarHBondContact N-O 2.93Å; N189-R202 WeakPolarHBondContact OD1-CG 3.46Å
190L97.7Very high96.3Very high1 Ų138.3 Ų38.31%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-70.2125.9-177.9175.272.2000111.7L178 N188 K199 Y200 I201 V220 L222 V236L178-L190 HydrophobicContact CD1-CD1 3.85Å; N188-L190 VanDerWaalsContact C-N 3.33Å; N188-L190 PolarHBondContact O-N 3.02Å; L190-K199 PolarHBondContact O-N 3.44Å; L190-Y200 PolarHBondContact N-O 3.31Å; L190-Y200 PolarHBondContact O-N 2.77Å; L190-Y200 VanDerWaalsContact O-N 3.13Å; L190-I201 HydrophobicContact CB-CD1 4.11Å; L190-V220 HydrophobicContact CD1-CG2 4.33Å; L190-V220 HydrophobicContact CD2-CB 4.24Å; L190-V220 HydrophobicContact CD2-CG1 4.15Å; L190-L222 HydrophobicContact CD2-CD2 4.17Å; L190-V236 HydrophobicContact CB-CG1 4.35Å; L190-V236 HydrophobicContact CD1-CG1 3.42Å; L190-V236 VanDerWaalsContact CD1-CG1 3.42Å; L190-V236 HydrophobicContact CG-CG1 4.48Å
191E96.4Very high96.4Very high7 Ų739 Ų393%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-80.7142.2168.8179.1167.7-123.500111.3N189 Q193 G195 R196 G197 C234 I235N189-E191 PolarHBondContact O-N 2.79Å; E191-Q193 WeakPolarHBondContact CG-O 3.38Å; E191-G195 VanDerWaalsContact CD-N 3.3Å; E191-G195 VanDerWaalsContact OE1-CA 3.24Å; E191-G195 WeakPolarHBondContact OE1-CA 3.4Å; E191-G195 PolarHBondContact OE1-N 2.79Å; E191-G195 PolarHBondContact OE2-N 3.49Å; E191-R196 PolarHBondContact OE1-N 2.94Å; E191-G197 PolarHBondContact OE1-N 2.99Å; E191-C234 HydrophobicContact CB-CB 4.2Å; E191-C234 HydrophobicContact CG-CB 4.37Å; E191-I235 WeakPolarHBondContact CB-O 3.34Å; E191-I235 PolarHBondContact N-O 3.25Å; E191-I235 PolarHBondContact OE2-N 3.11Å
192I94.3Very high96.3Very high15 Ų1543.6 Ų43.68%0.07724%0.238CC..SBendtrans-88.2-36.9-179.3-58.9-177.8000111.7K199 Y200 V230 Y289I192-K199 HydrophobicContact CD1-CB 3.95Å; I192-K199 HydrophobicContact CD1-CD 3.49Å; I192-K199 VanDerWaalsContact CD1-CD 3.49Å; I192-K199 HydrophobicContact CD1-CG 4.33Å; I192-K199 HydrophobicContact CG1-CB 4.12Å; I192-K199 HydrophobicContact CG1-CD 4.04Å; I192-Y200 HydrophobicContact CD1-CD2 3.87Å; I192-Y200 HydrophobicContact CD1-CE2 3.29Å; I192-Y200 HydrophobicContact CG1-CD2 3.66Å; I192-Y200 HydrophobicContact CG1-CE2 3.52Å; I192-V230 WeakPolarHBondContact O-CG1 3.45Å; I192-Y289 HydrophobicContact CG2-CD1 3.28Å; I192-Y289 HydrophobicContact CG2-CD2 3.93Å; I192-Y289 HydrophobicContact CG2-CE1 3.54Å; I192-Y289 HydrophobicContact CG2-CE2 4.17Å; I192-Y289 HydrophobicContact CG2-CG 3.46Å; I192-Y289 VanDerWaalsContact CG2-CG 3.46Å
193Q94.7Very high96.4Very high71 Ų7143.4 Ų43.433%0.33224%0.241SC..SBendtrans-142.7140.5-178.4-78.5171.3-28.100107E191 G195 R196E191-Q193 WeakPolarHBondContact CG-O 3.38Å; Q193-G195 PolarHBondContact O-N 3.38Å; Q193-R196 HydrophobicContact CB-CB 4.29Å; Q193-R196 VanDerWaalsContact O-CB 3.26Å; Q193-R196 WeakPolarHBondContact O-CB 3.48Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q193-R196 VanDerWaalsContact O-N 3.09Å
194P94.8Very high96.4Very high63 Ų6340 Ų4041%0.40922%0.221SC..THydrogen-bonded Turntrans-54.7132.3-175.1-23.734.1000111.8R196 L231 T233 C234P194-R196 VanDerWaalsContact C-N 3.29Å; P194-R196 PolarHBondContact O-N 2.85Å; P194-L231 HydrophobicContact CG-CB 4.39Å; P194-L231 HydrophobicContact CG-CD1 4.01Å; P194-T233 WeakPolarHBondContact CG-OG1 3.41Å; P194-C234 WeakPolarHBondContact CD-SG 3.25Å; P194-C234 VanDerWaalsContact N-SG 3.36Å
195G92.3Very high96.4Very high48 Ų4838.3 Ų38.350%0.49521%0.205SC..THydrogen-bonded Turntrans79.2-5.6179.900000116.3E191 Q193 G197E191-G195 VanDerWaalsContact CD-N 3.3Å; E191-G195 VanDerWaalsContact OE1-CA 3.24Å; E191-G195 WeakPolarHBondContact OE1-CA 3.4Å; E191-G195 PolarHBondContact OE1-N 2.79Å; E191-G195 PolarHBondContact OE2-N 3.49Å; Q193-G195 PolarHBondContact O-N 3.38Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 3.05Å
196R92.7Very high96.4Very high143 Ų14338.7 Ų38.754%0.5421%0.207SC..SBendtrans-79.6-11179.1-158.8168.2-174.6-176.6-1.1113.8E191 Q193 P194 K199E191-R196 PolarHBondContact OE1-N 2.94Å; Q193-R196 HydrophobicContact CB-CB 4.29Å; Q193-R196 VanDerWaalsContact O-CB 3.26Å; Q193-R196 WeakPolarHBondContact O-CB 3.48Å; Q193-R196 PolarHBondContact O-N 2.98Å; Q193-R196 VanDerWaalsContact O-N 3.09Å; P194-R196 VanDerWaalsContact C-N 3.29Å; P194-R196 PolarHBondContact O-N 2.85Å; R196-K199 VanDerWaalsContact CZ-NZ 3.27Å
197G94.2Very high96.4Very high6 Ų636.4 Ų36.46%0.06220%0.197CC..  trans78.8163.8-175.900000113.5E191 G195E191-G197 PolarHBondContact OE1-N 2.99Å; G195-G197 VanDerWaalsContact C-N 3.29Å; G195-G197 PolarHBondContact O-N 3.05Å
198S95.7Very high96.4Very high8 Ų836.5 Ų36.56%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-67.1133-177.359.70000112.9F102 N189F102-S198 VanDerWaalsContact CB-OG 3.32Å; F102-S198 WeakPolarHBondContact CB-OG 3.36Å; F102-S198 WeakPolarHBondContact CD1-OG 3.34Å; F102-S198 WeakPolarHBondContact O-CB 3.39Å; F102-S198 PolarHBondContact O-N 3.03Å; F102-S198 PolarHBondContact O-OG 2.86Å; N189-S198 WeakPolarHBondContact O-CB 3.3Å
199K95.8Very high96.4Very high80 Ų8038.6 Ų38.635%0.34821%0.211SC..EExtended strand (participates in β ladder)trans-123.7-39179.9-73-179.7173.4-174.70112.4L190 I192 R196 R202L190-K199 PolarHBondContact O-N 3.44Å; I192-K199 HydrophobicContact CD1-CB 3.95Å; I192-K199 HydrophobicContact CD1-CD 3.49Å; I192-K199 VanDerWaalsContact CD1-CD 3.49Å; I192-K199 HydrophobicContact CD1-CG 4.33Å; I192-K199 HydrophobicContact CG1-CB 4.12Å; I192-K199 HydrophobicContact CG1-CD 4.04Å; R196-K199 VanDerWaalsContact CZ-NZ 3.27Å; K199-R202 PolarHBondContact O-NE 2.88Å; K199-R202 VanDerWaalsContact O-NE 3.11Å
200Y97.3Very high96.5Very high69 Ų6938.2 Ų38.227%0.27121%0.209SC..EExtended strand (participates in β ladder)trans-96.3158-179.1-71-67.6000111.7N189 L190 I192 L222 Y289N189-Y200 CarbonylContact C-O 3.48Å; N189-Y200 WeakPolarHBondContact CA-O 3.43Å; L190-Y200 PolarHBondContact N-O 3.31Å; L190-Y200 PolarHBondContact O-N 2.77Å; L190-Y200 VanDerWaalsContact O-N 3.13Å; I192-Y200 HydrophobicContact CD1-CD2 3.87Å; I192-Y200 HydrophobicContact CD1-CE2 3.29Å; I192-Y200 HydrophobicContact CG1-CD2 3.66Å; I192-Y200 HydrophobicContact CG1-CE2 3.52Å; Y200-L222 HydrophobicContact CD1-CD1 4.3Å; Y200-L222 HydrophobicContact CD1-CD2 4.48Å; Y200-L222 HydrophobicContact CE1-CD1 4.43Å; Y200-L222 HydrophobicContact CG-CD2 4.28Å; Y200-Y289 HydrophobicContact CE2-CE2 4.39Å; Y200-Y289 PolarHBondContact OH-OH 2.78Å
201I97.9Very high96.5Very high13 Ų1340.6 Ų40.67%0.06722%0.221CC..SBendtrans57.655.2171.4-38.9172.8000112.7N188 N189 L190 L222 P223N188-I201 HydrophobicContact CB-CB 4.49Å; N188-I201 HydrophobicContact CB-CG2 3.85Å; N189-I201 PolarHBondContact N-O 2.93Å; L190-I201 HydrophobicContact CB-CD1 4.11Å; I201-L222 HydrophobicContact CD1-CD2 4.05Å; I201-L222 HydrophobicContact CG1-CD2 4.04Å; I201-P223 HydrophobicContact CG1-CG 4.32Å; I201-P223 HydrophobicContact CG2-CG 4.25Å
202R97.6Very high96.6Very high97 Ų9746 Ų4637%0.36624%0.242SC..  trans-113.5-6-178.6-57.6-169.8-74.2172.1-1.1114.1N189 K199N189-R202 WeakPolarHBondContact OD1-CG 3.46Å; K199-R202 PolarHBondContact O-NE 2.88Å; K199-R202 VanDerWaalsContact O-NE 3.11Å
203A98.1Very high96.7Very high46 Ų4648.8 Ų48.838%0.3825%0.253SS..SBendtrans-85.1153.2-174.500000110.8G205 T206 V241A203-G205 PolarHBondContact O-N 2.86Å; A203-T206 HydrophobicContact CB-CG2 3.82Å; A203-T206 PolarHBondContact N-OG1 3.4Å; A203-T206 WeakPolarHBondContact O-CB 3.25Å; A203-T206 PolarHBondContact O-N 3.01Å; A203-T206 VanDerWaalsContact O-N 3.11Å; A203-T206 PolarHBondContact O-OG1 3.36Å; A203-V241 VanDerWaalsContact O-CB 3.25Å; A203-V241 WeakPolarHBondContact O-CB 3.29Å; A203-V241 WeakPolarHBondContact O-CG1 3.42Å
204A98.1Very high96.8Very high16 Ų1648.1 Ų48.113%0.13225%0.254CS..THydrogen-bonded Turntrans-48132.1178.200000112.8S130 A131 T206 S242 N243 H246S130-A204 PolarHBondContact OG-N 3.15Å; A131-A204 HydrophobicContact CB-CB 4.43Å; A204-T206 PolarHBondContact O-N 3.02Å; A204-T206 VanDerWaalsContact O-N 3.09Å; A204-S242 VanDerWaalsContact CA-O 3.29Å; A204-S242 WeakPolarHBondContact CA-O 3.37Å; A204-N243 HydrophobicContact CB-CB 4.1Å; A204-N243 WeakPolarHBondContact CB-O 3.4Å; A204-H246 HydrophobicContact CB-CB 3.81Å
205G97.3Very high96.7Very high13 Ų1352.7 Ų52.713%0.13428%0.275CS..THydrogen-bonded Turntrans68.3-0.3178.600000116.7A203 R240 V241 S242A203-G205 PolarHBondContact O-N 2.86Å; G205-R240 PolarHBondContact O-NH2 3.4Å; G205-V241 VanDerWaalsContact CA-O 3.32Å; G205-V241 WeakPolarHBondContact CA-O 3.44Å; G205-V241 PolarHBondContact N-O 3.09Å; G205-V241 VanDerWaalsContact N-O 3.14Å; G205-S242 PolarHBondContact N-O 2.78Å; G205-S242 VanDerWaalsContact N-O 3.09Å
206T98.3Very high96.7Very high32 Ų3252 Ų5220%0.19627%0.267CS..  trans-80.9147.4-178.463.80000112.5A203 A204 P223 V241A203-T206 HydrophobicContact CB-CG2 3.82Å; A203-T206 PolarHBondContact N-OG1 3.4Å; A203-T206 WeakPolarHBondContact O-CB 3.25Å; A203-T206 PolarHBondContact O-N 3.01Å; A203-T206 VanDerWaalsContact O-N 3.11Å; A203-T206 PolarHBondContact O-OG1 3.36Å; A204-T206 PolarHBondContact O-N 3.02Å; A204-T206 VanDerWaalsContact O-N 3.09Å; T206-P223 HydrophobicContact CG2-CG 4.39Å; T206-V241 WeakPolarHBondContact O-CG2 3.43Å; T206-V241 PolarHBondContact O-N 3.4Å; T206-V241 VanDerWaalsContact O-N 3.12Å
207S98.1Very high96.9Very high29 Ų2945.6 Ų45.620%0.20324%0.244CC..  trans-151.3156172.154.30000109.7P223S207-P223 WeakPolarHBondContact O-CG 2.92Å
208G98.1Very high97.1Very high2 Ų245.3 Ų45.32%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-115.9172.4167.300000110.3L186 V187 Q221L186-G208 WeakPolarHBondContact CA-O 3.47Å; V187-G208 PolarHBondContact N-O 3.48Å; V187-G208 PolarHBondContact O-N 2.8Å; G208-Q221 WeakPolarHBondContact CA-O 3.23Å
209V98.4Very high97.2Very high43 Ų4345.1 Ų45.126%0.26124%0.24SC..EExtended strand (participates in β ladder)trans-124.8131.8-179.7-173.50000108.8T185 L186 L211 V220 Q221T185-V209 WeakPolarHBondContact O-CA 3.48Å; L186-V209 HydrophobicContact CD2-CG2 3.87Å; V209-L211 HydrophobicContact CG1-CD2 4.39Å; V209-L211 PolarHBondContact O-N 3.11Å; V209-V220 WeakPolarHBondContact O-CA 3.43Å; V209-Q221 PolarHBondContact N-O 2.9Å; V209-Q221 VanDerWaalsContact N-O 3.17Å; V209-Q221 PolarHBondContact O-N 3.18Å
210L98.3Very high97.3Very high0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-75.1114.3169.7177.354.9000109.6L178 L181 G184 T185 A218 V220L178-L210 HydrophobicContact CD2-CD1 4.31Å; L181-L210 HydrophobicContact CB-CD2 4.1Å; G184-L210 WeakPolarHBondContact CA-O 3.45Å; G184-L210 PolarHBondContact N-O 2.97Å; T185-L210 PolarHBondContact O-N 3.11Å; T185-L210 VanDerWaalsContact O-N 3.1Å; L210-A218 HydrophobicContact CD1-CB 3.92Å; L210-V220 HydrophobicContact CD1-CG2 4.2Å
211L98.3Very high97.4Very high51 Ų5140.8 Ų40.827%0.26722%0.223SC..EExtended strand (participates in β ladder)trans-89.4-49.1-173.2-66.4-178.5000113.6V183 V209 I219 Q221 Q227V183-L211 WeakPolarHBondContact CG1-O 3.42Å; V209-L211 HydrophobicContact CG1-CD2 4.39Å; V209-L211 PolarHBondContact O-N 3.11Å; L211-I219 HydrophobicContact CB-CG2 4.48Å; L211-I219 WeakPolarHBondContact CB-O 3.42Å; L211-I219 HydrophobicContact CD1-CG2 4.28Å; L211-I219 PolarHBondContact N-O 2.97Å; L211-Q221 HydrophobicContact CD1-CB 3.99Å; L211-Q221 HydrophobicContact CD2-CB 4.29Å; L211-Q221 HydrophobicContact CG-CB 4.06Å; L211-Q227 HydrophobicContact CD1-CG 3.94Å
212R97.8Very high97.4Very high122 Ų12240.9 Ų40.946%0.4622%0.224SC..EExtended strand (participates in β ladder)trans-163.8164.9-179.861.6-179.3179.5-88.2-3110.9V214 I219R212-V214 HydrophobicContact CG-CG2 4.44Å; R212-I219 HydrophobicContact CG-CB 4.21Å; R212-I219 HydrophobicContact CG-CD1 3.96Å; R212-I219 HydrophobicContact CG-CG1 4.45Å; R212-I219 PolarHBondContact O-N 3.09Å
213K96.9Very high97.4Very high72 Ų7239.6 Ų39.631%0.31323%0.227SC..EExtended strand (participates in β ladder)trans-120.6135.8174.9-57.4175.8-172.5172.30109.1L178 G179 L181 T217L178-K213 WeakPolarHBondContact O-CE 3.48Å; L178-K213 PolarHBondContact O-NZ 3.36Å; G179-K213 VanDerWaalsContact C-NZ 3.35Å; G179-K213 PolarHBondContact O-NZ 3.32Å; L181-K213 VanDerWaalsContact O-CE 3.22Å; L181-K213 WeakPolarHBondContact O-CE 3.33Å; L181-K213 PolarHBondContact O-NZ 3.32Å; K213-T217 CarbonylContact C-O 3.58Å; K213-T217 VanDerWaalsContact CA-O 3.24Å; K213-T217 WeakPolarHBondContact CA-O 3.32Å
214V96.2Very high97.4Very high57 Ų5741 Ų4135%0.34524%0.235SC..EExtended strand (participates in β ladder)trans-142.8123.7-178.7-177.20000108.2R212 G216 T217R212-V214 HydrophobicContact CG-CG2 4.44Å; V214-G216 PolarHBondContact O-N 3.22Å; V214-T217 PolarHBondContact N-O 3.15Å; V214-T217 WeakPolarHBondContact O-CA 3.02Å; V214-T217 WeakPolarHBondContact O-CB 3.42Å; V214-T217 PolarHBondContact O-N 3.47Å; V214-T217 PolarHBondContact O-OG1 2.78Å
215N94.1Very high97.3Very high160 Ų16046.9 Ų46.986%0.85626%0.257SS*.THydrogen-bonded Turntrans4751.6171.1-58.3-14.6000114.2T217N215-T217 PolarHBondContact O-N 3.34Å
216G92.8Very high97.4Very high32 Ų3248.8 Ų48.833%0.3326%0.263SS..THydrogen-bonded Turntrans73.611.5-179.600000115V214 E232V214-G216 PolarHBondContact O-N 3.22Å; G216-E232 WeakPolarHBondContact O-CB 3.31Å; G216-E232 VanDerWaalsContact O-CG 3.29Å; G216-E232 WeakPolarHBondContact O-CG 3.44Å; G216-E232 PolarHBondContact O-N 3.47Å
217T96.6Very high97.4Very high9 Ų950.4 Ų50.46%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-121.9150.1177.774.10000110.4K213 V214 N215 Q229 V230 L231 V290K213-T217 CarbonylContact C-O 3.58Å; K213-T217 VanDerWaalsContact CA-O 3.24Å; K213-T217 WeakPolarHBondContact CA-O 3.32Å; V214-T217 PolarHBondContact N-O 3.15Å; V214-T217 WeakPolarHBondContact O-CA 3.02Å; V214-T217 WeakPolarHBondContact O-CB 3.42Å; V214-T217 PolarHBondContact O-N 3.47Å; V214-T217 PolarHBondContact O-OG1 2.78Å; N215-T217 PolarHBondContact O-N 3.34Å; T217-Q229 PolarHBondContact OG1-NE2 3.25Å; T217-V230 CarbonylContact C-O 3.55Å; T217-V230 VanDerWaalsContact CA-O 3.3Å; T217-V230 WeakPolarHBondContact CA-O 3.43Å; T217-V230 WeakPolarHBondContact CB-O 3.37Å; T217-L231 HydrophobicContact CG2-CD2 4.43Å; T217-V290 HydrophobicContact CG2-CB 4.43Å; T217-V290 HydrophobicContact CG2-CG1 4.08Å; T217-V290 HydrophobicContact CG2-CG2 3.65Å
218A97.4Very high97.3Very high0 Ų049.1 Ų49.10%026%0.259CS..EExtended strand (participates in β ladder)trans-116.8137.7178.300000110L178 L210 Q229 V230L178-A218 HydrophobicContact CB-CB 3.73Å; L178-A218 HydrophobicContact CD1-CB 3.82Å; L178-A218 HydrophobicContact CG-CB 4.28Å; L210-A218 HydrophobicContact CD1-CB 3.92Å; A218-Q229 WeakPolarHBondContact O-CA 3.32Å; A218-V230 PolarHBondContact N-O 3.04Å; A218-V230 PolarHBondContact O-N 3.02Å
219I98.1Very high97.3Very high5 Ų550.9 Ų50.93%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-104.1118.4175.5-62173.1000108.3L211 R212 Q227 V228 Q229 M286L211-I219 HydrophobicContact CB-CG2 4.48Å; L211-I219 WeakPolarHBondContact CB-O 3.42Å; L211-I219 HydrophobicContact CD1-CG2 4.28Å; L211-I219 PolarHBondContact N-O 2.97Å; R212-I219 HydrophobicContact CG-CB 4.21Å; R212-I219 HydrophobicContact CG-CD1 3.96Å; R212-I219 HydrophobicContact CG-CG1 4.45Å; R212-I219 PolarHBondContact O-N 3.09Å; I219-Q227 HydrophobicContact CG2-CB 4.24Å; I219-V228 CarbonylContact C-O 3.54Å; I219-V228 WeakPolarHBondContact CA-O 3.24Å; I219-Q229 HydrophobicContact CG1-CB 4.31Å; I219-Q229 HydrophobicContact CG1-CG 4.28Å; I219-M286 HydrophobicContact CD1-CE 4.48Å; I219-M286 HydrophobicContact CD1-SD 3.83Å; I219-M286 HydrophobicContact CG1-SD 4.03Å; I219-M286 HydrophobicContact CG2-SD 4.01Å
220V98.2Very high97.3Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-113.5134.3-179.3-178.50000109.8L178 V187 L190 V209 L210 V228L178-V220 HydrophobicContact CD1-CG2 4.03Å; L178-V220 HydrophobicContact CD2-CG2 3.9Å; V187-V220 HydrophobicContact CG2-CG1 4.12Å; L190-V220 HydrophobicContact CD1-CG2 4.33Å; L190-V220 HydrophobicContact CD2-CB 4.24Å; L190-V220 HydrophobicContact CD2-CG1 4.15Å; V209-V220 WeakPolarHBondContact O-CA 3.43Å; L210-V220 HydrophobicContact CD1-CG2 4.2Å; V220-V228 PolarHBondContact N-O 2.93Å; V220-V228 PolarHBondContact O-N 3.12Å
221Q98.4Very high97.2Very high58 Ų5851.9 Ų51.927%0.27127%0.27SS..EExtended strand (participates in β ladder)trans-86123.7170-167.1175.920.500110.1G208 V209 L211G208-Q221 WeakPolarHBondContact CA-O 3.23Å; V209-Q221 PolarHBondContact N-O 2.9Å; V209-Q221 VanDerWaalsContact N-O 3.17Å; V209-Q221 PolarHBondContact O-N 3.18Å; L211-Q221 HydrophobicContact CD1-CB 3.99Å; L211-Q221 HydrophobicContact CD2-CB 4.29Å; L211-Q221 HydrophobicContact CG-CB 4.06Å
222L98.2Very high97.1Very high15 Ų1552.2 Ų52.28%0.07927%0.27CS..  trans-77.7163.4174.4-64.6-176.6000111.7L190 Y200 I201 S224 K225 Q226 V228L190-L222 HydrophobicContact CD2-CD2 4.17Å; Y200-L222 HydrophobicContact CD1-CD1 4.3Å; Y200-L222 HydrophobicContact CD1-CD2 4.48Å; Y200-L222 HydrophobicContact CE1-CD1 4.43Å; Y200-L222 HydrophobicContact CG-CD2 4.28Å; I201-L222 HydrophobicContact CD1-CD2 4.05Å; I201-L222 HydrophobicContact CG1-CD2 4.04Å; L222-S224 PolarHBondContact O-N 3.21Å; L222-K225 WeakPolarHBondContact O-CA 3.1Å; L222-K225 PolarHBondContact O-N 3.41Å; L222-Q226 WeakPolarHBondContact CB-O 3.26Å; L222-Q226 PolarHBondContact N-O 3.04Å; L222-V228 HydrophobicContact CD1-CG2 3.57Å; L222-V228 HydrophobicContact CD2-CG2 4.38Å; L222-V228 HydrophobicContact CG-CG2 3.78Å
223P97.9Very high97Very high69 Ų6949.4 Ų49.445%0.44827%0.267SS..THydrogen-bonded Turntrans-54.6-25.4172.7-24.829.2000114.5I201 T206 S207 K225I201-P223 HydrophobicContact CG1-CG 4.32Å; I201-P223 HydrophobicContact CG2-CG 4.25Å; T206-P223 HydrophobicContact CG2-CG 4.39Å; S207-P223 WeakPolarHBondContact O-CG 2.92Å; P223-K225 PolarHBondContact O-N 3.44Å
224S97.1Very high97Very high77 Ų7746 Ų4654%0.53825%0.252SS..THydrogen-bonded Turntrans-76.53.5174.258.90000113.9L222 Q226L222-S224 PolarHBondContact O-N 3.21Å; S224-Q226 PolarHBondContact O-N 3.11Å; S224-Q226 VanDerWaalsContact O-N 3.15Å
225K97.9Very high97.1Very high138 Ų13844 Ų4460%0.624%0.24SC*.SBendtrans65.6-2.5-169.9-53.6179.9179.3-176.90115.1L222 P223 L283L222-K225 WeakPolarHBondContact O-CA 3.1Å; L222-K225 PolarHBondContact O-N 3.41Å; P223-K225 PolarHBondContact O-N 3.44Å; K225-L283 HydrophobicContact CB-CD2 4.37Å
226Q97.7Very high97.3Very high53 Ų5336.4 Ų36.425%0.24820%0.199CC..  trans-68.5136.9173.3-175.2172.319.500110.5L222 S224 P284L222-Q226 WeakPolarHBondContact CB-O 3.26Å; L222-Q226 PolarHBondContact N-O 3.04Å; S224-Q226 PolarHBondContact O-N 3.11Å; S224-Q226 VanDerWaalsContact O-N 3.15Å; Q226-P284 HydrophobicContact CB-CG 4.43Å; Q226-P284 HydrophobicContact CG-CG 4.02Å
227Q98.1Very high97.5Very high67 Ų6735 Ų3531%0.31318%0.184SC..EExtended strand (participates in β ladder)trans-88.7141.6176.5-63.4177.35.900110.8L211 I219 M286 K287L211-Q227 HydrophobicContact CD1-CG 3.94Å; I219-Q227 HydrophobicContact CG2-CB 4.24Å; Q227-M286 HydrophobicContact CB-CB 4.2Å; Q227-M286 HydrophobicContact CB-CG 3.94Å; Q227-M286 WeakPolarHBondContact O-CA 3.34Å; Q227-K287 PolarHBondContact O-N 3.29Å
228V97.6Very high97.6Very high2 Ų235.2 Ų35.21%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-131.6133178179.80000109.6I219 V220 L222 V230 K287 Y289I219-V228 CarbonylContact C-O 3.54Å; I219-V228 WeakPolarHBondContact CA-O 3.24Å; V220-V228 PolarHBondContact N-O 2.93Å; V220-V228 PolarHBondContact O-N 3.12Å; L222-V228 HydrophobicContact CD1-CG2 3.57Å; L222-V228 HydrophobicContact CD2-CG2 4.38Å; L222-V228 HydrophobicContact CG-CG2 3.78Å; V228-V230 HydrophobicContact CG1-CG2 3.73Å; V228-K287 CarbonylContact C-O 3.49Å; V228-K287 VanDerWaalsContact CA-O 3.29Å; V228-K287 WeakPolarHBondContact CA-O 3.13Å; V228-K287 HydrophobicContact CG2-CB 4.4Å; V228-Y289 HydrophobicContact CG1-CD2 3.45Å; V228-Y289 VanDerWaalsContact CG1-CD2 3.45Å; V228-Y289 HydrophobicContact CG1-CE2 3.39Å
229Q97.6Very high97.6Very high39 Ų3935.6 Ų35.618%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-99.4127.3173.3-175.2-1752100109.9T217 A218 I219 M286 K287 S288 Y289 V290T217-Q229 PolarHBondContact OG1-NE2 3.25Å; A218-Q229 WeakPolarHBondContact O-CA 3.32Å; I219-Q229 HydrophobicContact CG1-CB 4.31Å; I219-Q229 HydrophobicContact CG1-CG 4.28Å; Q229-M286 HydrophobicContact CB-CE 4.02Å; Q229-M286 HydrophobicContact CB-SD 4.06Å; Q229-K287 PolarHBondContact N-O 2.74Å; Q229-S288 PolarHBondContact OE1-OG 2.71Å; Q229-Y289 PolarHBondContact O-N 2.8Å; Q229-V290 HydrophobicContact CG-CG2 4.08Å
230V97.4Very high97.6Very high1 Ų139.1 Ų39.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-134.8159.8-176.5-174.90000109.1L178 I192 T217 A218 V228 C234L178-V230 HydrophobicContact CD1-CB 4.37Å; L178-V230 HydrophobicContact CD1-CG1 4.48Å; I192-V230 WeakPolarHBondContact O-CG1 3.45Å; T217-V230 CarbonylContact C-O 3.55Å; T217-V230 VanDerWaalsContact CA-O 3.3Å; T217-V230 WeakPolarHBondContact CA-O 3.43Å; T217-V230 WeakPolarHBondContact CB-O 3.37Å; A218-V230 PolarHBondContact N-O 3.04Å; A218-V230 PolarHBondContact O-N 3.02Å; V228-V230 HydrophobicContact CG1-CG2 3.73Å; V230-C234 HydrophobicContact CG1-CB 3.56Å; V230-C234 WeakPolarHBondContact CG1-SG 3.26Å
231L96.9Very high97.6Very high62 Ų6239.1 Ų39.133%0.32520%0.202SC..EExtended strand (participates in β ladder)trans-63.1145.5170.7-64.3175.9000111.1P194 T217 T233 C234 V290P194-L231 HydrophobicContact CG-CB 4.39Å; P194-L231 HydrophobicContact CG-CD1 4.01Å; T217-L231 HydrophobicContact CG2-CD2 4.43Å; L231-T233 PolarHBondContact O-N 3.23Å; L231-C234 WeakPolarHBondContact O-CB 3.38Å; L231-C234 PolarHBondContact O-N 3.14Å; L231-V290 HydrophobicContact CD2-CG1 4.18Å; L231-V290 HydrophobicContact CD2-CG2 4.11Å
232E96.2Very high97.6Very high58 Ų5836.7 Ų36.727%0.27119%0.191SC..THydrogen-bonded Turntrans-66.3-20.7178.872.7-176.5172.200113.5I163 L178 G179 G216 C234I163-E232 HydrophobicContact CD1-CG 4.05Å; L178-E232 PolarHBondContact N-O 3.11Å; G179-E232 PolarHBondContact N-O 3.13Å; G216-E232 WeakPolarHBondContact O-CB 3.31Å; G216-E232 VanDerWaalsContact O-CG 3.29Å; G216-E232 WeakPolarHBondContact O-CG 3.44Å; G216-E232 PolarHBondContact O-N 3.47Å; E232-C234 VanDerWaalsContact C-N 3.26Å; E232-C234 PolarHBondContact O-N 3.46Å
233T96.3Very high97.6Very high64 Ų6438.6 Ų38.639%0.39320%0.202SC..THydrogen-bonded Turntrans-76.1-11177.950.70000113.4I163 P194 L231I163-T233 HydrophobicContact CD1-CG2 3.87Å; P194-T233 WeakPolarHBondContact CG-OG1 3.41Å; L231-T233 PolarHBondContact O-N 3.23Å
234C96.9Very high97.5Very high0 Ų037.8 Ų37.80%019%0.193CC..  trans-66.5135.8176.3-75.70000111.6P177 L178 E191 P194 V230 L231 E232P177-C234 WeakPolarHBondContact CA-O 3.29Å; L178-C234 HydrophobicContact CD1-CB 4.31Å; L178-C234 PolarHBondContact N-O 2.92Å; E191-C234 HydrophobicContact CB-CB 4.2Å; E191-C234 HydrophobicContact CG-CB 4.37Å; P194-C234 WeakPolarHBondContact CD-SG 3.25Å; P194-C234 VanDerWaalsContact N-SG 3.36Å; V230-C234 HydrophobicContact CG1-CB 3.56Å; V230-C234 WeakPolarHBondContact CG1-SG 3.26Å; L231-C234 WeakPolarHBondContact O-CB 3.38Å; L231-C234 PolarHBondContact O-N 3.14Å; E232-C234 VanDerWaalsContact C-N 3.26Å; E232-C234 PolarHBondContact O-N 3.46Å
235I97.4Very high97.6Very high16 Ų1638.5 Ų38.58%0.08219%0.191CC..EExtended strand (participates in β ladder)trans-84.1137.4-177.6-61.7-69.5000110.4R104 L105 A175 P177 E191R104-I235 HydrophobicContact CB-CG2 4.2Å; L105-I235 HydrophobicContact CB-CD1 4.09Å; L105-I235 HydrophobicContact CB-CG1 3.78Å; L105-I235 HydrophobicContact CB-CG2 4.39Å; L105-I235 HydrophobicContact CD2-CD1 3.8Å; L105-I235 HydrophobicContact CD2-CG1 3.97Å; L105-I235 HydrophobicContact CG-CD1 4.44Å; A175-I235 HydrophobicContact CB-CG2 4.26Å; P177-I235 HydrophobicContact CB-CD1 4.12Å; E191-I235 WeakPolarHBondContact CB-O 3.34Å; E191-I235 PolarHBondContact N-O 3.25Å; E191-I235 PolarHBondContact OE2-N 3.11Å
236V97.8Very high97.6Very high0 Ų035.4 Ų35.40%018%0.178CC..EExtended strand (participates in β ladder)trans-131.5162.2172.5-63.70000110.2A175 Y176 L178 L181 V187 L190A175-V236 VanDerWaalsContact CA-O 3.23Å; A175-V236 WeakPolarHBondContact CA-O 3.4Å; Y176-V236 PolarHBondContact N-O 3.21Å; Y176-V236 WeakPolarHBondContact O-CG2 3.11Å; Y176-V236 PolarHBondContact O-N 3.24Å; L178-V236 HydrophobicContact CD1-CG1 4.28Å; L178-V236 HydrophobicContact CD2-CB 4.32Å; L178-V236 HydrophobicContact CD2-CG1 3.61Å; L178-V236 HydrophobicContact CD2-CG2 3.74Å; L178-V236 HydrophobicContact CG-CG1 3.79Å; L178-V236 HydrophobicContact CG-CG2 4.2Å; L181-V236 HydrophobicContact CD1-CG2 3.46Å; L181-V236 VanDerWaalsContact CD1-CG2 3.46Å; V187-V236 HydrophobicContact CB-CB 4.21Å; V187-V236 HydrophobicContact CB-CG2 4.24Å; V187-V236 HydrophobicContact CG1-CB 4.41Å; V187-V236 HydrophobicContact CG1-CG2 3.89Å; L190-V236 HydrophobicContact CB-CG1 4.35Å; L190-V236 HydrophobicContact CD1-CG1 3.42Å; L190-V236 VanDerWaalsContact CD1-CG1 3.42Å; L190-V236 HydrophobicContact CG-CG1 4.48Å
237T98.1Very high97.5Very high2 Ų239 Ų391%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-107.6137.3170.6-57.60000109.1T148 G173 D174 V187 N188T148-T237 HydrophobicContact CG2-CG2 3.94Å; G173-T237 WeakPolarHBondContact O-CG2 3.48Å; D174-T237 CarbonylContact O-C 3.54Å; D174-T237 WeakPolarHBondContact O-CA 3.42Å; V187-T237 CarbonylContact C-O 3.52Å; V187-T237 WeakPolarHBondContact CA-O 3.38Å; N188-T237 PolarHBondContact N-O 3.45Å; N188-T237 PolarHBondContact O-N 3.39Å; N188-T237 VanDerWaalsContact OD1-CB 3.26Å; N188-T237 WeakPolarHBondContact OD1-CB 3.34Å
238V98.2Very high97.5Very high14 Ų1443 Ų439%0.08522%0.216CC..EExtended strand (participates in β ladder)trans-81.4138.4-177.2178.40000110.1A170 G173 D174 L181A170-V238 HydrophobicContact CB-CB 4.32Å; A170-V238 HydrophobicContact CB-CG1 4.31Å; A170-V238 HydrophobicContact CB-CG2 3.73Å; G173-V238 PolarHBondContact N-O 2.94Å; D174-V238 PolarHBondContact O-N 3.28Å; L181-V238 HydrophobicContact CD1-CG2 3.81Å; L181-V238 HydrophobicContact CD2-CG2 3.61Å; L181-V238 HydrophobicContact CG-CG2 4.39Å
239G97.4Very high97.5Very high8 Ų848.7 Ų48.78%0.08224%0.237CC..SBendtrans102.6-167.1177.900000114.6L186 V187 N188L186-G239 PolarHBondContact O-N 3.08Å; V187-G239 CarbonylContact C-O 3.59Å; N188-G239 PolarHBondContact ND2-O 2.8Å
240R98.1Very high97.5Very high79 Ų7953.5 Ų53.530%0.29826%0.262SS..PPolyproline II helixtrans-101.6154.2-176.9-57.7-177.260.5-161.9-1.2110T148 E149 L186 N188 G205T148-R240 CarbonylContact C-O 3.57Å; T148-R240 WeakPolarHBondContact CA-O 3.38Å; T148-R240 WeakPolarHBondContact CB-O 3.36Å; E149-R240 HydrophobicContact CB-CB 4.28Å; E149-R240 PolarHBondContact N-O 3.3Å; E149-R240 WeakPolarHBondContact OE2-CB 3.44Å; E149-R240 WeakPolarHBondContact OE2-CD 3.47Å; E149-R240 IonicContact OE2-CZ 3.86Å; E149-R240 IonicContact OE2-NE 3.74Å; E149-R240 IonicContact OE2-NH1 3.6Å; L186-R240 HydrophobicContact CD1-CG 4.2Å; N188-R240 VanDerWaalsContact ND2-C 3.27Å; N188-R240 PolarHBondContact ND2-O 2.77Å; G205-R240 PolarHBondContact O-NH2 3.4Å
241V98.5Very high97.5Very high0 Ų056 Ų560%028%0.275CS..BIsolated β-bridgetrans-72.9143.4175-179.30000109.6A131 V146 N188 A203 G205 T206A131-V241 HydrophobicContact CB-CG1 3.38Å; V146-V241 HydrophobicContact CG1-CG1 3.7Å; N188-V241 HydrophobicContact CB-CG2 3.7Å; N188-V241 PolarHBondContact ND2-N 3.32Å; A203-V241 VanDerWaalsContact O-CB 3.25Å; A203-V241 WeakPolarHBondContact O-CB 3.29Å; A203-V241 WeakPolarHBondContact O-CG1 3.42Å; G205-V241 VanDerWaalsContact CA-O 3.32Å; G205-V241 WeakPolarHBondContact CA-O 3.44Å; G205-V241 PolarHBondContact N-O 3.09Å; G205-V241 VanDerWaalsContact N-O 3.14Å; T206-V241 WeakPolarHBondContact O-CG2 3.43Å; T206-V241 PolarHBondContact O-N 3.4Å; T206-V241 VanDerWaalsContact O-N 3.12Å
242S98Very high97.5Very high6 Ų656.4 Ų56.44%0.04230%0.295CS..SBendtrans-50.1165174.153.70000114.7D132 A147 T148 A204 G205D132-S242 PolarHBondContact N-OG 2.97Å; D132-S242 PolarHBondContact O-OG 3.01Å; A147-S242 VanDerWaalsContact O-CB 3.27Å; A147-S242 WeakPolarHBondContact O-CB 3.13Å; A147-S242 PolarHBondContact O-N 3.26Å; A147-S242 PolarHBondContact O-OG 3.26Å; T148-S242 WeakPolarHBondContact O-CB 3.4Å; A204-S242 VanDerWaalsContact CA-O 3.29Å; A204-S242 WeakPolarHBondContact CA-O 3.37Å; G205-S242 PolarHBondContact N-O 2.78Å; G205-S242 VanDerWaalsContact N-O 3.09Å
243N97.4Very high97.6Very high55 Ų5559.5 Ų59.529%0.29431%0.307SS..  trans61.760.2177.3-1660.4000113.3S130 A204 D245 H246S130-N243 PolarHBondContact O-ND2 3.47Å; S130-N243 VanDerWaalsContact O-ND2 3.11Å; A204-N243 HydrophobicContact CB-CB 4.1Å; A204-N243 WeakPolarHBondContact CB-O 3.4Å; N243-D245 VanDerWaalsContact C-N 3.35Å; N243-D245 PolarHBondContact O-N 3.07Å; N243-H246 WeakPolarHBondContact O-CB 3.45Å; N243-H246 PolarHBondContact O-N 2.88Å
244I97.9Very high97.7Very high53 Ų5360.2 Ų60.227%0.27232%0.32SS..G310 helixtrans-60.8-43.6-176.3-50.3166.4000112E149 H246 N247E149-I244 HydrophobicContact CG-CD1 3.52Å; E149-I244 HydrophobicContact CG-CG1 3.89Å; E149-I244 WeakPolarHBondContact OE1-CD1 3.24Å; E149-I244 VanDerWaalsContact OE2-CD1 3.29Å; E149-I244 WeakPolarHBondContact OE2-CD1 3.17Å; I244-H246 PolarHBondContact O-N 2.97Å; I244-H246 VanDerWaalsContact O-N 3.09Å; I244-N247 PolarHBondContact O-OD1 2.72Å
245D97.7Very high97.7Very high91 Ų9161.6 Ų61.649%0.48733%0.334SS..G310 helixtrans-78.811.3-173.9-66.3-46.9000113.5N243 N247 K248 R249N243-D245 VanDerWaalsContact C-N 3.35Å; N243-D245 PolarHBondContact O-N 3.07Å; D245-N247 PolarHBondContact O-N 3.32Å; D245-N247 VanDerWaalsContact O-N 3.12Å; D245-K248 HydrophobicContact CB-CD 4.43Å; D245-K248 PolarHBondContact O-N 3.19Å; D245-K248 WeakPolarHBondContact OD1-CD 3.44Å; D245-K248 WeakPolarHBondContact OD1-CE 3.36Å; D245-K248 IonicContact OD1-NZ 2.74Å; D245-K248 PolarHBondContact OD1-NZ 3.05Å; D245-R249 PolarHBondContact O-N 3.24Å
246H97.5Very high97.7Very high73 Ų7364.8 Ų64.834%0.33835%0.345SS..G310 helixtrans-53.7-34.1175.2-171.386.5000112.6A204 N243 I244 R249A204-H246 HydrophobicContact CB-CB 3.81Å; N243-H246 WeakPolarHBondContact O-CB 3.45Å; N243-H246 PolarHBondContact O-N 2.88Å; I244-H246 PolarHBondContact O-N 2.97Å; I244-H246 VanDerWaalsContact O-N 3.09Å; H246-R249 WeakPolarHBondContact O-CB 3.47Å; H246-R249 PolarHBondContact O-N 2.78Å
247N97.1Very high97.7Very high130 Ų13067.6 Ų67.670%0.69536%0.36SS*.G310 helixtrans-72.7-27.1178.665.4-13.6000113.7I244 D245 R249I244-N247 PolarHBondContact O-OD1 2.72Å; D245-N247 PolarHBondContact O-N 3.32Å; D245-N247 VanDerWaalsContact O-N 3.12Å; N247-R249 VanDerWaalsContact C-N 3.27Å
248K97.7Very high97.7Very high150 Ų15073.4 Ų73.465%0.65238%0.382SS*.G310 helixtrans-82.5-5.4178.6-65.5174.8-168.5159.60112.5D245 I250D245-K248 HydrophobicContact CB-CD 4.43Å; D245-K248 PolarHBondContact O-N 3.19Å; D245-K248 WeakPolarHBondContact OD1-CD 3.44Å; D245-K248 WeakPolarHBondContact OD1-CE 3.36Å; D245-K248 IonicContact OD1-NZ 2.74Å; D245-K248 PolarHBondContact OD1-NZ 3.05Å; K248-I250 PolarHBondContact O-N 2.89Å
249R96.8Very high97.7Very high121 Ų12179.6 Ų79.646%0.45740%0.404SS..  trans-64.3120.1-177.8-176.3-175178.7-1744.5112D245 H246 N247D245-R249 PolarHBondContact O-N 3.24Å; H246-R249 WeakPolarHBondContact O-CB 3.47Å; H246-R249 PolarHBondContact O-N 2.78Å; N247-R249 VanDerWaalsContact C-N 3.27Å
250I97.9Very high97.6Very high140 Ų14082.7 Ų82.772%0.71842%0.418SS*.  trans-85.4126.2175-56.4173.9000110.6K248 R256K248-I250 PolarHBondContact O-N 2.89Å; I250-R256 PolarHBondContact O-NH1 2.88Å
251I97Very high97.6Very high53 Ų5379.4 Ų79.427%0.27241%0.408SS..  trans-72.2-33.2178.9-60.1-60.7000112.1K253 R256 N257 L260I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 2.96Å; I251-R256 VanDerWaalsContact C-NH1 3.33Å; I251-R256 HydrophobicContact CG2-CB 3.92Å; I251-R256 HydrophobicContact CG2-CG 4.26Å; I251-R256 VanDerWaalsContact O-CD 3.25Å; I251-R256 WeakPolarHBondContact O-CD 3.36Å; I251-R256 PolarHBondContact O-NE 3.42Å; I251-R256 PolarHBondContact O-NH1 2.81Å; I251-N257 WeakPolarHBondContact CG2-OD1 3.45Å; I251-L260 HydrophobicContact CD1-CD1 4.38Å
252G97.9Very high97.5Very high72 Ų7283.4 Ų83.474%0.74243%0.429SS*.  trans75-69.5175.400000113.7
253K98.1Very high97.5Very high123 Ų12389.1 Ų89.154%0.53545%0.449SS..SBendtrans-123.1150.8-176.568.8-178.3-179.7-176.80113.3I251 G255 R256I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 2.96Å; K253-G255 PolarHBondContact O-N 3.43Å; K253-G255 VanDerWaalsContact O-N 3.14Å; K253-R256 WeakPolarHBondContact O-CB 3.48Å; K253-R256 PolarHBondContact O-N 2.97Å
254A97.6Very high97.5Very high79 Ų7991.2 Ų91.265%0.65347%0.466SS*.Hα-helixtrans-55.6-33.2177.600000113.2R256 N257 R258A254-R256 PolarHBondContact O-N 3.09Å; A254-N257 WeakPolarHBondContact O-CB 3.25Å; A254-N257 PolarHBondContact O-N 3.18Å; A254-N257 VanDerWaalsContact O-N 3.13Å; A254-R258 PolarHBondContact O-N 3.33Å
255G98Very high97.4Very high29 Ų2994.2 Ų94.230%0.29949%0.492SS..Hα-helixtrans-58.1-32.3176.600000114K253 N257 R258 W259K253-G255 PolarHBondContact O-N 3.43Å; K253-G255 VanDerWaalsContact O-N 3.14Å; G255-N257 VanDerWaalsContact C-N 3.35Å; G255-N257 PolarHBondContact O-N 3.4Å; G255-R258 WeakPolarHBondContact O-CA 3.27Å; G255-R258 WeakPolarHBondContact O-CB 3.49Å; G255-R258 PolarHBondContact O-N 2.98Å; G255-R258 VanDerWaalsContact O-N 3.09Å; G255-W259 PolarHBondContact O-N 3.48Å
256R97.5Very high97.4Very high82 Ų8294.1 Ų94.131%0.30950%0.498SS..Hα-helixtrans-66.8-36.9177.8-173.4175-70.7153.5-5.3111.4I250 I251 K253 A254 R258 W259 L260I250-R256 PolarHBondContact O-NH1 2.88Å; I251-R256 VanDerWaalsContact C-NH1 3.33Å; I251-R256 HydrophobicContact CG2-CB 3.92Å; I251-R256 HydrophobicContact CG2-CG 4.26Å; I251-R256 VanDerWaalsContact O-CD 3.25Å; I251-R256 WeakPolarHBondContact O-CD 3.36Å; I251-R256 PolarHBondContact O-NE 3.42Å; I251-R256 PolarHBondContact O-NH1 2.81Å; K253-R256 WeakPolarHBondContact O-CB 3.48Å; K253-R256 PolarHBondContact O-N 2.97Å; A254-R256 PolarHBondContact O-N 3.09Å; R256-R258 VanDerWaalsContact C-N 3.3Å; R256-R258 PolarHBondContact O-N 3.37Å; R256-W259 HydrophobicContact CB-CE3 4.27Å; R256-W259 HydrophobicContact CG-CE3 4.27Å; R256-W259 WeakPolarHBondContact O-CB 3.16Å; R256-W259 PolarHBondContact O-N 3.09Å; R256-L260 WeakPolarHBondContact O-CG 3.36Å; R256-L260 PolarHBondContact O-N 2.92Å; R256-L260 VanDerWaalsContact O-N 3.11Å
257N97.6Very high97.3Very high59 Ų5994.6 Ų94.632%0.31652%0.523SS..Hα-helixtrans-63.7-37.3170.8-76.2-18.2000111.9I251 A254 G255 W259 L260 G261 I262I251-N257 WeakPolarHBondContact CG2-OD1 3.45Å; A254-N257 WeakPolarHBondContact O-CB 3.25Å; A254-N257 PolarHBondContact O-N 3.18Å; A254-N257 VanDerWaalsContact O-N 3.13Å; G255-N257 VanDerWaalsContact C-N 3.35Å; G255-N257 PolarHBondContact O-N 3.4Å; N257-W259 VanDerWaalsContact C-N 3.33Å; N257-W259 PolarHBondContact O-N 3.32Å; N257-L260 PolarHBondContact O-N 3.06Å; N257-G261 PolarHBondContact O-N 3.28Å; N257-I262 HydrophobicContact CB-CB 4.41Å; N257-I262 PolarHBondContact O-N 2.83Å
258R97.6Very high97.4Very high124 Ų12494 Ų9447%0.46852%0.519SS..Hα-helixtrans-64.3-37.9174.8-57.4-51.7-55.8-83.8-6.2111.8G92 A254 G255 R256 L260 G261 I262G92-R258 WeakPolarHBondContact CA-O 3.31Å; G92-R258 PolarHBondContact N-O 3.45Å; A254-R258 PolarHBondContact O-N 3.33Å; G255-R258 WeakPolarHBondContact O-CA 3.27Å; G255-R258 WeakPolarHBondContact O-CB 3.49Å; G255-R258 PolarHBondContact O-N 2.98Å; G255-R258 VanDerWaalsContact O-N 3.09Å; R256-R258 VanDerWaalsContact C-N 3.3Å; R256-R258 PolarHBondContact O-N 3.37Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-G261 PolarHBondContact O-N 2.82Å; R258-G261 VanDerWaalsContact O-N 3.07Å; R258-I262 WeakPolarHBondContact CD-O 3.31Å
259W97.8Very high97.4Very high145 Ų14596 Ų9655%0.54952%0.523SS..Hα-helixtrans-64.5-35.9174.3-59.7-22.6000112.9G92 H93 G255 R256 N257 G261G92-W259 CarbonylContact C-O 3.55Å; G92-W259 WeakPolarHBondContact CA-O 3.49Å; H93-W259 PolarHBondContact N-O 3.12Å; G255-W259 PolarHBondContact O-N 3.48Å; R256-W259 HydrophobicContact CB-CE3 4.27Å; R256-W259 HydrophobicContact CG-CE3 4.27Å; R256-W259 WeakPolarHBondContact O-CB 3.16Å; R256-W259 PolarHBondContact O-N 3.09Å; N257-W259 VanDerWaalsContact C-N 3.33Å; N257-W259 PolarHBondContact O-N 3.32Å; W259-G261 PolarHBondContact O-N 3.23Å
260L96.6Very high97.4Very high73 Ų7397.3 Ų97.338%0.38253%0.532SS..THydrogen-bonded Turntrans-70.6-8.6173-64.2174.1000113.2I251 R256 N257 R258 I262I251-L260 HydrophobicContact CD1-CD1 4.38Å; R256-L260 WeakPolarHBondContact O-CG 3.36Å; R256-L260 PolarHBondContact O-N 2.92Å; R256-L260 VanDerWaalsContact O-N 3.11Å; N257-L260 PolarHBondContact O-N 3.06Å; R258-L260 VanDerWaalsContact C-N 3.33Å; L260-I262 HydrophobicContact CB-CD1 4.22Å; L260-I262 HydrophobicContact CB-CG1 4.32Å
261G96.6Very high97.4Very high9 Ų9100 Ų1009%0.09353%0.533CS..THydrogen-bonded Turntrans8321.1-179.500000114G90 N257 R258 W259G90-G261 PolarHBondContact N-O 2.97Å; G90-G261 CarbonylContact O-C 3.59Å; G90-G261 WeakPolarHBondContact O-CA 3.33Å; N257-G261 PolarHBondContact O-N 3.28Å; R258-G261 PolarHBondContact O-N 2.82Å; R258-G261 VanDerWaalsContact O-N 3.07Å; W259-G261 PolarHBondContact O-N 3.23Å
262I97.6Very high97.5Very high85 Ų85105.8 Ų105.844%0.43656%0.556SS.*BIsolated β-bridgetrans-96.2122.2176.3-56.2170.7000108.2G88 N257 R258 L260G88-I262 CarbonylContact O-C 3.44Å; G88-I262 WeakPolarHBondContact O-CA 3.4Å; N257-I262 HydrophobicContact CB-CB 4.41Å; N257-I262 PolarHBondContact O-N 2.83Å; R258-I262 WeakPolarHBondContact CD-O 3.31Å; L260-I262 HydrophobicContact CB-CD1 4.22Å; L260-I262 HydrophobicContact CB-CG1 4.32Å
263R97.1Very high97.5Very high125 Ų125104 Ų10447%0.47254%0.538SS..PPolyproline II helixtrans-87.5153.8175.7-67.7172.863.9179.51.8110.2G88 I89G88-R263 PolarHBondContact O-N 2.83Å; I89-R263 WeakPolarHBondContact O-CD 3.29Å
264P97.8Very high97.4Very high99 Ų99101.3 Ų101.364%0.64355%0.545SS*.PPolyproline II helixtrans-61.4153.3175.227.4-35.7000111.7
265S96.7Very high97.4Very high117 Ų117107.4 Ų107.482%0.81855%0.551SS**PPolyproline II helixtrans-63.6159.1170.9-62.20000111.2
266S96.2Very high97.4Very high88 Ų88107.3 Ų107.362%0.61555%0.548SS*.PPolyproline II helixtrans-66.5142.7173.7178.90000110.6L268S266-L268 PolarHBondContact O-N 3.04Å; S266-L268 WeakPolarHBondContact OG-CB 3.46Å; S266-L268 PolarHBondContact OG-N 3.38Å
267G97.1Very high97.4Very high84 Ų84106.5 Ų106.587%0.86657%0.565SS**  trans-75.8-0.5171.500000114.2W269G267-W269 PolarHBondContact O-N 3.18Å; G267-W269 VanDerWaalsContact O-N 3.12Å
268L97.9Very high97.4Very high116 Ų116114.6 Ų114.661%0.60759%0.591SS**  trans-65.5112.8177.1179.765.3000110S266 K270S266-L268 PolarHBondContact O-N 3.04Å; S266-L268 WeakPolarHBondContact OG-CB 3.46Å; S266-L268 PolarHBondContact OG-N 3.38Å; L268-K270 HydrophobicContact CG-CG 4.44Å
269W98Very high97.4Very high192 Ų192114.5 Ų114.573%0.72759%0.594SS**  trans-67.9138.4171.8-178.790.7000110.6G267 R271G267-W269 PolarHBondContact O-N 3.18Å; G267-W269 VanDerWaalsContact O-N 3.12Å; W269-R271 HydrophobicContact CH2-CB 3.77Å; W269-R271 HydrophobicContact CH2-CG 4.25Å; W269-R271 HydrophobicContact CZ2-CB 4.42Å; W269-R271 HydrophobicContact CZ3-CB 4.16Å
270K97.4Very high97.3Very high150 Ų150114.6 Ų114.665%0.65260%0.604SS**  trans-134.2133.2176-63.8-173.8178.2-169.40109.4L268 K272L268-K270 HydrophobicContact CG-CG 4.44Å; K270-K272 PolarHBondContact O-N 3.36Å
271R97.8Very high97.4Very high196 Ų196119.3 Ų119.374%0.7462%0.621SS**  trans-63.5133171.5-166.2-179.8-64.6102.8-0.4109.6W269W269-R271 HydrophobicContact CH2-CB 3.77Å; W269-R271 HydrophobicContact CH2-CG 4.25Å; W269-R271 HydrophobicContact CZ2-CB 4.42Å; W269-R271 HydrophobicContact CZ3-CB 4.16Å
272K98.3Very high97.4Very high175 Ų175124.7 Ų124.776%0.76165%0.654SS**  trans-63.9134.2172-68177.5-178173.20108.8K270 A276K270-K272 PolarHBondContact O-N 3.36Å; K272-A276 HydrophobicContact CB-CB 3.89Å; K272-A276 HydrophobicContact CD-CB 4.35Å; K272-A276 HydrophobicContact CG-CB 4.31Å
273G97.6Very high97.4Very high34 Ų34126.5 Ų126.535%0.35166%0.664SS.*  trans-101.4-172.8175.600000112.3W275 A276G273-W275 PolarHBondContact O-N 2.95Å; G273-W275 VanDerWaalsContact O-N 3.09Å; G273-A276 VanDerWaalsContact O-CB 3.31Å; G273-A276 WeakPolarHBondContact O-CB 3.27Å; G273-A276 PolarHBondContact O-N 3.41Å
274G97.6Very high97.4Very high67 Ų67123.7 Ų123.769%0.69166%0.662SS**THydrogen-bonded Turntrans-64.1-13.8-179.600000115.6A276 K279G274-A276 VanDerWaalsContact C-N 3.28Å; G274-K279 WeakPolarHBondContact O-CE 3.42Å; G274-K279 PolarHBondContact O-NZ 2.78Å
275W96.9Very high97.4Very high207 Ų207124.3 Ų124.378%0.78467%0.666SS**THydrogen-bonded Turntrans-70.9-24.1171.162.5-95.3000112.7G273G273-W275 PolarHBondContact O-N 2.95Å; G273-W275 VanDerWaalsContact O-N 3.09Å
276A97.3Very high97.4Very high27 Ų27122.3 Ų122.322%0.22365%0.645CS.*  trans-74.1162.5176.400000111K272 G273 G274K272-A276 HydrophobicContact CB-CB 3.89Å; K272-A276 HydrophobicContact CD-CB 4.35Å; K272-A276 HydrophobicContact CG-CB 4.31Å; G273-A276 VanDerWaalsContact O-CB 3.31Å; G273-A276 WeakPolarHBondContact O-CB 3.27Å; G273-A276 PolarHBondContact O-N 3.41Å; G274-A276 VanDerWaalsContact C-N 3.28Å
277G97.2Very high97.4Very high65 Ų65122.6 Ų122.667%0.6764%0.635SS**SBendtrans93.8161.4-175.500000113K279G277-K279 PolarHBondContact O-N 2.66Å
278R97.9Very high97.4Very high228 Ų228121.3 Ų121.386%0.8661%0.613SS**  trans-66.8127.5-179.1-174.6177.6-178.1178.8-0.6109.4I280R278-I280 HydrophobicContact CG-CG1 4.39Å
279K97.3Very high97.2Very high123 Ų123118 Ų11854%0.53559%0.592SS.*  trans-113.2111.9173.6-53.9-58.9-178.5-177.30108.4G274 G277G274-K279 WeakPolarHBondContact O-CE 3.42Å; G274-K279 PolarHBondContact O-NZ 2.78Å; G277-K279 PolarHBondContact O-N 2.66Å
280I97.6Very high96.9Very high146 Ų146110.3 Ų110.375%0.74957%0.567SS**  trans-88.3109.3173.6-57.5175.3000106.1R278R278-I280 HydrophobicContact CG-CG1 4.39Å
281K97.2Very high96.4Very high173 Ų173109.9 Ų109.975%0.75257%0.572SS**  trans-114.8146.1178.4-64.9-174.1178.2-173.10108.8
282P97.8Very high95.3Very high122 Ų122107.8 Ų107.879%0.79257%0.574SS**PPolyproline II helixtrans-61.3160.5168.429.2-35000110
283L96.9Very high94.2Very high123 Ų123105 Ų10564%0.64457%0.574SS**PPolyproline II helixtrans-60.2137.2173-72171.9000109.4K225K225-L283 HydrophobicContact CB-CD2 4.37Å
284P97.1Very high92.7Very high66 Ų66108 Ų10843%0.42959%0.59SS.*PPolyproline II helixtrans-61.7152.6174.928.1-34.7000109.9Q226Q226-P284 HydrophobicContact CB-CG 4.43Å; Q226-P284 HydrophobicContact CG-CG 4.02Å
285P97.4Very high91.2Very high112 Ų112112.8 Ų112.873%0.72760%0.598SS**PPolyproline II helixtrans-59.2157.8177.626.4-34.8000111.3K287P285-K287 PolarHBondContact O-N 3.17Å
286M97.1Very high89.2Confident74 Ų74107.2 Ų107.237%0.36559%0.591SS.*PPolyproline II helixtrans-57.8133.3176-179.717974.600110I219 Q227 Q229I219-M286 HydrophobicContact CD1-CE 4.48Å; I219-M286 HydrophobicContact CD1-SD 3.83Å; I219-M286 HydrophobicContact CG1-SD 4.03Å; I219-M286 HydrophobicContact CG2-SD 4.01Å; Q227-M286 HydrophobicContact CB-CB 4.2Å; Q227-M286 HydrophobicContact CB-CG 3.94Å; Q227-M286 WeakPolarHBondContact O-CA 3.34Å; Q229-M286 HydrophobicContact CB-CE 4.02Å; Q229-M286 HydrophobicContact CB-SD 4.06Å
287K96.6Very high86.9Confident94 Ų94110.3 Ų110.341%0.40962%0.616SS.*EExtended strand (participates in β ladder)trans-91.6118.6176.9-168.2172.4-175.6-176.40109.9Q227 V228 Q229 P285 Y289Q227-K287 PolarHBondContact O-N 3.29Å; V228-K287 CarbonylContact C-O 3.49Å; V228-K287 VanDerWaalsContact CA-O 3.29Å; V228-K287 WeakPolarHBondContact CA-O 3.13Å; V228-K287 HydrophobicContact CG2-CB 4.4Å; Q229-K287 PolarHBondContact N-O 2.74Å; P285-K287 PolarHBondContact O-N 3.17Å; K287-Y289 HydrophobicContact CD-CE2 3.91Å; K287-Y289 WeakPolarHBondContact CD-OH 3.3Å; K287-Y289 VanDerWaalsContact CE-CZ 3.48Å; K287-Y289 WeakPolarHBondContact CE-OH 3.33Å; K287-Y289 HydrophobicContact CG-CE2 3.94Å; K287-Y289 PolarHBondContact NZ-OH 2.79Å
288S96.1Very high84.4Confident58 Ų58118.2 Ų118.241%0.40664%0.643SS.*EExtended strand (participates in β ladder)trans-97.4136175.5-167.50000111.7Q229 V290Q229-S288 PolarHBondContact OE1-OG 2.71Å; S288-V290 PolarHBondContact OG-N 2.7Å
289Y94.8Very high83.7Confident45 Ų45112.7 Ų112.718%0.17663%0.632CS.*  trans-111.88.9172.7-68.7-80.3000112.6I192 Y200 V228 Q229 K287I192-Y289 HydrophobicContact CG2-CD1 3.28Å; I192-Y289 HydrophobicContact CG2-CD2 3.93Å; I192-Y289 HydrophobicContact CG2-CE1 3.54Å; I192-Y289 HydrophobicContact CG2-CE2 4.17Å; I192-Y289 HydrophobicContact CG2-CG 3.46Å; I192-Y289 VanDerWaalsContact CG2-CG 3.46Å; Y200-Y289 HydrophobicContact CE2-CE2 4.39Å; Y200-Y289 PolarHBondContact OH-OH 2.78Å; V228-Y289 HydrophobicContact CG1-CD2 3.45Å; V228-Y289 VanDerWaalsContact CG1-CD2 3.45Å; V228-Y289 HydrophobicContact CG1-CE2 3.39Å; Q229-Y289 PolarHBondContact O-N 2.8Å; K287-Y289 HydrophobicContact CD-CE2 3.91Å; K287-Y289 WeakPolarHBondContact CD-OH 3.3Å; K287-Y289 VanDerWaalsContact CE-CZ 3.48Å; K287-Y289 WeakPolarHBondContact CE-OH 3.33Å; K287-Y289 HydrophobicContact CG-CE2 3.94Å; K287-Y289 PolarHBondContact NZ-OH 2.79Å
290V92.2Very high83Confident32 Ų32112.2 Ų112.219%0.19464%0.637CS.*  trans-90.8123.1178.1-177.10000107.3T217 Q229 L231 S288 L292T217-V290 HydrophobicContact CG2-CB 4.43Å; T217-V290 HydrophobicContact CG2-CG1 4.08Å; T217-V290 HydrophobicContact CG2-CG2 3.65Å; Q229-V290 HydrophobicContact CG-CG2 4.08Å; L231-V290 HydrophobicContact CD2-CG1 4.18Å; L231-V290 HydrophobicContact CD2-CG2 4.11Å; S288-V290 PolarHBondContact OG-N 2.7Å; V290-L292 PolarHBondContact O-N 2.85Å
291N86.8Confident82.2Confident140 Ų140110.3 Ų110.375%0.74963%0.631SS**  trans-77.3115.2169.8-63.5-19.1000106.6
292L74.5Confident81.3Confident152 Ų152106.6 Ų106.680%0.79662%0.624SS**PPolyproline II helixtrans-64.1136.9168.9-66172.3000107.6V290 S294V290-L292 PolarHBondContact O-N 2.85Å; L292-S294 PolarHBondContact O-N 2.88Å
293P75.3Confident80.3Confident116 Ų116105.6 Ų105.675%0.75361%0.613SS**PPolyproline II helixtrans-54.9131.7168.824.4-31.4000107.6I295P293-I295 PolarHBondContact O-N 2.76Å
294S65.6Low79.2Confident97 Ų97104.5 Ų104.568%0.67861%0.611SS**PPolyproline II helixtrans-54.9132.8169.349.40000107.1L292 S296L292-S294 PolarHBondContact O-N 2.88Å; S294-S296 PolarHBondContact O-N 3.09Å
295I66.4Low77.9Confident169 Ų169107.2 Ų107.287%0.86762%0.624SS**  trans-65.785.1171-58.6166.6000105.5P293 A297P293-I295 PolarHBondContact O-N 2.76Å; I295-A297 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 3.08Å; I295-A297 VanDerWaalsContact O-N 3.11Å
296S53.8Low76.4Confident90 Ų90106.8 Ų106.863%0.62962%0.616SS**  trans-68.8103.1162.4-52.60000104S294 N298S294-S296 PolarHBondContact O-N 3.09Å; S296-N298 PolarHBondContact O-N 3.34Å; S296-N298 VanDerWaalsContact O-N 3.12Å
297A49.8Very low74.6Confident92 Ų92109.6 Ų109.676%0.7664%0.637SS**  trans-55.9115.5169.300000107.2I295I295-A297 VanDerWaalsContact C-N 3.34Å; I295-A297 PolarHBondContact O-N 3.08Å; I295-A297 VanDerWaalsContact O-N 3.11Å
298N43.9Very low72.6Confident230 Ų230111 Ų111100%1.2366%0.658SS**  trans-73.10160.1-72.6-17.6000108.8S296S296-N298 PolarHBondContact O-N 3.34Å; S296-N298 VanDerWaalsContact O-N 3.12Å

Retrieved 298 of 298 residues in 104.7 ms (Link to these results)