A0A096MPN1_PAPAN Loading...

C1q and TNF related 5

AlphaFold DB (A0A2K5KRK7), UniProt , Accession A0A096MPN1, Species PAPAN (Papio anubis, Olive baboon), Gene C1QTNF5, Length 243 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
1M43.7Very low42.7Very low241 Ų241153.3 Ų153.3100%1.18782%0.819SS**  0138.50-73.8-176-164.600108.4
2R39.8Very low42.4Very low241 Ų241155 Ų15591%0.90983%0.827SS**  trans84.6138.4176.4-68.2-175.5169.1-179-2.9116.3
3P47.7Very low41.9Very low121 Ų121150.5 Ų150.579%0.78683%0.825SS**  -130.7173.9-97.429.9-9.1000114.7
4L46.1Very low41.7Very low155 Ų155147.1 Ų147.181%0.81283%0.827SS**  trans-37.4133.9164-89.970.6000113.6V6L4-V6 HydrophobicContact CD2-CG2 4.3Å
5L41.2Very low41.2Very low170 Ų170141.7 Ų141.789%0.8982%0.817SS**  trans-125.3110.4146.5-157.481.5000108.7
6V47.8Very low41.2Very low106 Ų106139.4 Ų139.464%0.64281%0.812SS**  trans-72.7129.3173.2171.50000108.4L4 L8L4-V6 HydrophobicContact CD2-CG2 4.3Å; V6-L8 HydrophobicContact CG1-CB 4.34Å
7L41.6Very low41.3Very low146 Ų146137.5 Ų137.576%0.76481%0.805SS**  trans-130.986.2160.4-151.182000108.6L9L7-L9 HydrophobicContact CD2-CD1 3.98Å; L7-L9 PolarHBondContact O-N 3.44Å
8L42.8Very low41.2Very low141 Ų141136 Ų13674%0.73880%0.8SS**  trans-81.394.7172.5-158.389.8000107.8V6 L10V6-L8 HydrophobicContact CG1-CB 4.34Å; L8-L10 HydrophobicContact CD2-CD1 3.47Å; L8-L10 VanDerWaalsContact CD2-CD1 3.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å; L8-L10 PolarHBondContact O-N 3.38Å
9L41.6Very low41.3Very low151 Ų151136.9 Ų136.979%0.79180%0.8SS**  trans-79.793.7171-90.2146.3000109L7 G11L7-L9 HydrophobicContact CD2-CD1 3.98Å; L7-L9 PolarHBondContact O-N 3.44Å; L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.15Å
10L40.8Very low41.3Very low141 Ų141137.3 Ų137.374%0.73880%0.798SS**  trans-72.197.3162.1-10590000108.5L8 L12L8-L10 HydrophobicContact CD2-CD1 3.47Å; L8-L10 VanDerWaalsContact CD2-CD1 3.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å; L8-L10 PolarHBondContact O-N 3.38Å; L10-L12 PolarHBondContact O-N 3.44Å
11G37.2Very low41.5Very low73 Ų73136.7 Ų136.775%0.75379%0.793SS**  trans-73.6107.1164.900000109.9L9 A13L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.15Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å
12L39.3Very low41.6Very low174 Ų174131.9 Ų131.991%0.91177%0.771SS**  trans-65.390.2162.6-87.7137.7000108.5L10 A14L10-L12 PolarHBondContact O-N 3.44Å; L12-A14 PolarHBondContact O-N 3.48Å; L12-A14 VanDerWaalsContact O-N 3.16Å
13A35.9Very low41.5Very low97 Ų97129.8 Ų129.880%0.80277%0.769SS**  trans-73.697.6162.200000107.5G11 G15G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å; A13-G15 PolarHBondContact O-N 3.47Å
14A38.4Very low41.3Very low103 Ų103131.1 Ų131.185%0.85177%0.768SS**  trans-66.685.4163.800000108L12 S16L12-A14 PolarHBondContact O-N 3.48Å; L12-A14 VanDerWaalsContact O-N 3.16Å; A14-S16 PolarHBondContact O-N 3.4Å
15G35.1Very low41.1Very low66 Ų66128.9 Ų128.968%0.6876%0.763SS**  trans-66.8112165.100000108.1A13A13-G15 PolarHBondContact O-N 3.47Å
16S40.8Very low41.6Very low105 Ų105125 Ų12573%0.73475%0.75SS**PPolyproline II helixtrans-52.1132.3160.446.40000108.3A14A14-S16 PolarHBondContact O-N 3.4Å
17P41.8Very low41.6Very low106 Ų106127.8 Ų127.869%0.68876%0.76SS**PPolyproline II helixtrans-58.6142173.225.9-31.9000108.5L19P17-L19 PolarHBondContact O-N 3.48Å
18P40.3Very low42.3Very low111 Ų111125.8 Ų125.872%0.72176%0.757SS**PPolyproline II helixtrans-54.7128165.825.3-31.4000106.9D20P18-D20 PolarHBondContact O-N 3.4Å
19L42.8Very low42.9Very low153 Ų153125 Ų12580%0.80176%0.761SS**  trans-61.4106169.8-72.5165.4000105.8P17 D21P17-L19 PolarHBondContact O-N 3.48Å; L19-D21 PolarHBondContact O-N 3.43Å
20D41.9Very low43.5Very low144 Ų144120.2 Ų120.277%0.7775%0.748SS**  trans-61.391.9169.5-83.9-41.7000107.7P18 N22P18-D20 PolarHBondContact O-N 3.4Å; D20-N22 PolarHBondContact O-N 3.45Å
21D44.7Very low44.2Very low126 Ų126120.5 Ų120.567%0.67475%0.745SS**  trans-70.533.9178.7-92.2-9.9000113.2L19L19-D21 PolarHBondContact O-N 3.43Å
22N46.5Very low45.3Very low139 Ų139123 Ų12374%0.74375%0.748SS**  trans-118.623.7-179.1-83.6-21.5000113.8D20D20-N22 PolarHBondContact O-N 3.45Å
23K37.7Very low46.2Very low198 Ų198116.6 Ų116.686%0.86172%0.724SS**  trans-115.149169.1-96.1-174.6178.6179.30112.8P25K23-P25 WeakPolarHBondContact O-CD 3.43Å
24I44Very low47.7Very low148 Ų148118.7 Ų118.776%0.75972%0.721SS**SBendtrans-81.6114.8147.6-56.9175.2000105.3S26I24-S26 PolarHBondContact O-N 3.48Å
25P41.7Very low49Very low109 Ų109119.5 Ų119.571%0.70872%0.717SS**  trans-60111.1175.4-16.729.9000108.3K23 L27K23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-L27 PolarHBondContact O-N 3.5Å; P25-L27 VanDerWaalsContact O-N 3.12Å
26S50.7Low50.3Low88 Ų88118.1 Ų118.162%0.61570%0.703SS**  trans-57.9112.1176.648.60000110I24 C28I24-S26 PolarHBondContact O-N 3.48Å; S26-C28 VanDerWaalsContact C-N 3.29Å; S26-C28 PolarHBondContact O-N 3.37Å
27L48.6Very low51.6Low164 Ų164118.1 Ų118.186%0.85970%0.699SS**  trans-88.743.2-179.2-85.5164000112.7P25 P29P25-L27 PolarHBondContact O-N 3.5Å; P25-L27 VanDerWaalsContact O-N 3.12Å; L27-P29 WeakPolarHBondContact O-CD 3.1Å
28C55.9Low52.8Low105 Ų105119.1 Ų119.171%0.70971%0.705SS**  trans-111.1100.4179.5-60.70000110S26 G30S26-C28 VanDerWaalsContact C-N 3.29Å; S26-C28 PolarHBondContact O-N 3.37Å; C28-G30 PolarHBondContact O-N 3.41Å
29P54.6Low53.9Low125 Ų125115.5 Ų115.581%0.81269%0.688SS**PPolyproline II helixtrans-58.1133169.6-1930.8000109.7L27L27-P29 WeakPolarHBondContact O-CD 3.1Å
30G54.2Low55Low50 Ų50116.7 Ų116.752%0.51569%0.689SS.*PPolyproline II helixtrans-59.7160.2172.100000112C28C28-G30 PolarHBondContact O-N 3.41Å
31H56.7Low56.2Low147 Ų147118.9 Ų118.968%0.68169%0.694SS**PPolyproline II helixtrans-61.9143.2174.8-65.185.1000110.3G33H31-G33 PolarHBondContact O-N 3.22Å
32P60.1Low57Low126 Ų126114.8 Ų114.882%0.81868%0.682SS**PPolyproline II helixtrans-52.8136.5170.5-24.233.6000110.7
33G58Low57.9Low38 Ų38112.9 Ų112.939%0.39268%0.68SS.*PPolyproline II helixtrans-60.1158.9174.500000111.9H31H31-G33 PolarHBondContact O-N 3.22Å
34L67.7Low59.3Low142 Ų142112.6 Ų112.674%0.74368%0.682SS**PPolyproline II helixtrans-62.7142.8175.9-68.9170000110.6G36L34-G36 PolarHBondContact O-N 3.32Å
35P65.1Low60.1Low120 Ų120107.2 Ų107.278%0.77966%0.663SS**PPolyproline II helixtrans-54.4140.1170.6-2433.5000111.3
36G62.7Low61.4Low37 Ų37109.4 Ų109.438%0.38167%0.668SS.*PPolyproline II helixtrans-61.2156.5175.100000112.3L34L34-G36 PolarHBondContact O-N 3.32Å
37T68Low62.4Low105 Ų105110.9 Ų110.964%0.64468%0.676SS**PPolyproline II helixtrans-66.4148.617650.80000111.4
38P67.4Low63.2Low126 Ų126105.2 Ų105.282%0.81866%0.657SS**PPolyproline II helixtrans-54.5141.5172.1-24.434.1000112
39G62.1Low63.9Low36 Ų36111.7 Ų111.737%0.37167%0.666SS.*PPolyproline II helixtrans-63.8157.5175.500000112.6E85G39-E85 WeakPolarHBondContact CA-O 3.43Å
40H67.1Low64.9Low177 Ų177113.5 Ų113.582%0.81967%0.669SS**PPolyproline II helixtrans-63.5151177-65.7-70.9000112
41H66.6Low65.6Low190 Ų190114.5 Ų114.588%0.8868%0.679SS**PPolyproline II helixtrans-61138.1172.8-66.3-64.9000110.7
42G61.7Low66.3Low41 Ų41119.3 Ų119.342%0.42369%0.691SS.*PPolyproline II helixtrans-62.2153.5174.700000111.8
43S64.9Low66.9Low99 Ų99120.8 Ų120.869%0.69269%0.693SS**PPolyproline II helixtrans-62.4150.6175.9550000111.8G45S43-G45 PolarHBondContact O-N 3.4Å
44Q66.7Low67.4Low191 Ų191122.3 Ų122.389%0.89371%0.708SS**PPolyproline II helixtrans-57.5136.9173.6-172.5175.2-14.700110.7
45G61.3Low67.5Low36 Ų36127.4 Ų127.437%0.37172%0.717SS.*PPolyproline II helixtrans-61.2153.1176.500000112.2S43S43-G45 PolarHBondContact O-N 3.4Å
46L69.8Low67.8Low154 Ų154129.3 Ų129.381%0.80672%0.721SS**PPolyproline II helixtrans-63148.3177.7-66.6170.1000111.1
47P70.2Confident67.9Low120 Ų120131 Ų13178%0.77974%0.738SS**PPolyproline II helixtrans-54.8146.3170.6-23.933.9000111.9
48G66.9Low67.5Low45 Ų45130.6 Ų130.646%0.46475%0.746SS.*PPolyproline II helixtrans-60.1150.6174.100000111.4
49R70.8Confident67.1Low241 Ų241131.3 Ų131.391%0.90975%0.75SS**PPolyproline II helixtrans-65.9146.2172.7-77.9-178.1162.8179.3-5.2110.6
50D74.3Confident66.8Low162 Ų162133.1 Ų133.187%0.86677%0.769SS**PPolyproline II helixtrans-57.3145.8173.8-62.4-30.7000111.3
51G68.6Low66.1Low71 Ų71129.3 Ų129.373%0.73277%0.768SS**PPolyproline II helixtrans-60.5145.5175.200000110.8
52R71.4Confident65.7Low248 Ų248126.9 Ų126.994%0.93677%0.769SS**PPolyproline II helixtrans-68.7139.9173.5-64.4-177-171.4171.92.8109.4
53D74.5Confident65.2Low158 Ų158128.5 Ų128.585%0.84579%0.786SS**PPolyproline II helixtrans-55.2143.2173.8-61.7-32.2000111.1
54G68.6Low64.6Low69 Ų69133.2 Ų133.271%0.71180%0.797SS**PPolyproline II helixtrans-60.1140.7174.300000110.3
55R68.8Low64Low249 Ų249134.3 Ų134.394%0.9480%0.799SS**PPolyproline II helixtrans-67.6137.1174.2-68.1-178.1-174.9167.51109.6G57R55-G57 PolarHBondContact O-N 2.76Å
56D70.4Confident63.9Low161 Ų161135.7 Ų135.786%0.86181%0.813SS**PPolyproline II helixtrans-54.9134.3173.9-63.4-29.5000110.7
57G65.6Low63.5Low72 Ų72137.7 Ų137.774%0.74282%0.818SS**PPolyproline II helixtrans-69.1140.2175.900000111.4R55R55-G57 PolarHBondContact O-N 2.76Å
58A59.6Low63.3Low97 Ų97135.4 Ų135.480%0.80282%0.817SS**PPolyproline II helixtrans-64.2144.1172.100000110.9G60A58-G60 PolarHBondContact O-N 3.3Å
59P60.1Low63.1Low140 Ų140137 Ų13791%0.90983%0.832SS**PPolyproline II helixtrans-65.9131-176.5-18.130.6000112.6
60G54.8Low62.9Low75 Ų75136.7 Ų136.777%0.77383%0.831SS**  trans-130.7150.617500000113.2A58A58-G60 PolarHBondContact O-N 3.3Å
61A51.6Low62.7Low96 Ų96134.8 Ų134.879%0.79383%0.828SS**  trans-65.7161.3-176.600000114.2
62P58.2Low62.5Low139 Ų139134.8 Ų134.890%0.90383%0.828SS**  trans-77.7135.5-158.3-9.224.7000115.3
63G52.6Low62.5Low75 Ų75130.9 Ų130.977%0.77383%0.825SS**  trans164.2125.4161.800000116.3
64E52Low62.2Low199 Ų199129.1 Ų129.193%0.9382%0.822SS**  trans55.4130177.4-63.6-154.1137.200120.5G66E64-G66 PolarHBondContact O-N 3.25Å; E64-G66 VanDerWaalsContact O-N 3.08Å
65K54.2Low62.1Low214 Ų214128.4 Ų128.493%0.9382%0.815SS**  trans-65.4104.4-175.1-173.9-178.5-174-178.50110.4
66G59.6Low62.2Low64 Ų64122 Ų12266%0.6681%0.805SS**PPolyproline II helixtrans-63144.9174.500000112.8E64E64-G66 PolarHBondContact O-N 3.25Å; E64-G66 VanDerWaalsContact O-N 3.08Å
67E60.5Low62.1Low196 Ų196125.8 Ų125.892%0.91681%0.808SS**PPolyproline II helixtrans-56.4140.5171.1-67.9-174.7145.400110.6G69E67-G69 PolarHBondContact O-N 2.74Å
68G65.9Low62.1Low73 Ų73124.1 Ų124.175%0.75379%0.79SS**PPolyproline II helixtrans-54.5136.5178.700000111.4R70G68-R70 PolarHBondContact O-N 3.15Å
69G63Low62.7Low77 Ų77127.8 Ų127.879%0.79479%0.791SS**PPolyproline II helixtrans-51.7134.5178.500000111.1E67E67-G69 PolarHBondContact O-N 2.74Å
70R66.6Low63.1Low235 Ų235127.2 Ų127.289%0.88779%0.787SS**PPolyproline II helixtrans-58.4141.5178.5-66.5-177.6178.2-168.6-0.9109.6G68 G72G68-R70 PolarHBondContact O-N 3.15Å; R70-G72 PolarHBondContact O-N 3.44Å
71P69.7Low63.7Low122 Ų122125.2 Ų125.279%0.79277%0.767SS**PPolyproline II helixtrans-50.5141.1172.9-26.133.6000111.2
72G65.1Low64.7Low72 Ų72125.8 Ų125.874%0.74276%0.762SS**PPolyproline II helixtrans-55.4146.5174.200000111.1R70R70-G72 PolarHBondContact O-N 3.44Å
73L70.4Confident65.3Low166 Ų166131 Ų13187%0.86976%0.764SS**PPolyproline II helixtrans-61.3141.7176-67.7170.7000110G75L73-G75 PolarHBondContact O-N 3.38Å
74P68.6Low65.9Low120 Ų120129 Ų12978%0.77974%0.743SS**PPolyproline II helixtrans-52.8139.9171.2-25.233.8000111.2
75G67.4Low67.1Low54 Ų54127.9 Ų127.956%0.55774%0.738SS**PPolyproline II helixtrans-58.9154.5176.100000112L73L73-G75 PolarHBondContact O-N 3.38Å
76P70.9Confident67.9Low115 Ų115122.4 Ų122.475%0.74773%0.733SS**PPolyproline II helixtrans-60.8145.5177.326.4-33.6000110.8G78P76-G78 PolarHBondContact O-N 3.27Å
77R68.8Low68.3Low241 Ų241120.7 Ų120.791%0.90972%0.715SS**PPolyproline II helixtrans-57.6132.9172.5-175.9179.5177.6173.30.7109
78G64.6Low69.1Low37 Ų37116.5 Ų116.538%0.38171%0.705SS.*PPolyproline II helixtrans-57.5150.3174.500000111.8P76P76-G78 PolarHBondContact O-N 3.27Å
79E71.8Confident69.5Low174 Ų174117.7 Ų117.781%0.81371%0.708SS**PPolyproline II helixtrans-61.2147.1179.1-65.2-169.1157.700111.3G81E79-G81 PolarHBondContact O-N 2.93Å
80P68.6Low69.7Low127 Ų127115.3 Ų115.383%0.82568%0.682SS**PPolyproline II helixtrans-54.1137.1169.6-22.933.4000110.7
81G67.7Low70.3Confident34 Ų34109.4 Ų109.435%0.35168%0.675SS.*PPolyproline II helixtrans-59.6155.9173.700000111.6E79E79-G81 PolarHBondContact O-N 2.93Å
82P72.9Confident70.6Confident108 Ų108110 Ų11070%0.70168%0.676SS**PPolyproline II helixtrans-59.4150.3177.826.1-34000111.1G84P82-G84 PolarHBondContact O-N 3.01Å
83R70.6Confident70.6Confident248 Ų248107.7 Ų107.794%0.93665%0.653SS**PPolyproline II helixtrans-59.4132.7171.8-175.3179.5178.1171.20.4108.7
84G65.9Low70.5Confident32 Ų32105.4 Ų105.433%0.3365%0.648SS.*PPolyproline II helixtrans-58.8151.8174.400000111.9P82P82-G84 PolarHBondContact O-N 3.01Å
85E75.4Confident70.1Confident177 Ų177104 Ų10483%0.82765%0.646SS**PPolyproline II helixtrans-61.4151.7178.8-63.7-174.5162.900111.6G39 G87G39-E85 WeakPolarHBondContact CA-O 3.43Å; E85-G87 PolarHBondContact O-N 3.43Å
86A71.3Confident69.7Low99 Ų99103.5 Ų103.582%0.81864%0.641SS**PPolyproline II helixtrans-63136.2172.600000109.5
87G68.4Low69Low28 Ų28107.2 Ų107.229%0.28965%0.648SS.*PPolyproline II helixtrans-60.7157.6173.700000111.6E85E85-G87 PolarHBondContact O-N 3.43Å
88P76.7Confident68.3Low108 Ų10899.5 Ų99.570%0.70163%0.631SS**PPolyproline II helixtrans-59.3151.1176.226.8-34.3000110.7G90P88-G90 PolarHBondContact O-N 3.13Å
89A74.6Confident67.8Low98 Ų98103 Ų10381%0.8165%0.65SS**PPolyproline II helixtrans-56.3138.5170.600000109.8
90G68.8Low67.4Low26 Ų2699.7 Ų99.727%0.26864%0.641SS.*PPolyproline II helixtrans-59.8157.4173.100000111.1P88P88-G90 PolarHBondContact O-N 3.13Å
91P77.8Confident67.3Low111 Ų11198.1 Ų98.172%0.72163%0.63SS**PPolyproline II helixtrans-58.4147174.526.8-34.1000110.3G93P91-G93 PolarHBondContact O-N 3.39Å
92T76.1Confident68Low134 Ų13498.2 Ų98.282%0.82263%0.625SS**PPolyproline II helixtrans-55.2134.2169.2-50.30000108.8
93G65.5Low68.9Low25 Ų2599.5 Ų99.526%0.25862%0.616SS.*PPolyproline II helixtrans-58157.9174.600000111.2P91P91-G93 PolarHBondContact O-N 3.39Å
94P67.6Low70.1Confident117 Ų11788 Ų8876%0.7657%0.573SS**PPolyproline II helixtrans-55.6147.5172.825.7-33.4000110G96P94-G96 PolarHBondContact O-N 2.83Å
95A61.4Low71.6Confident91 Ų9188.2 Ų88.275%0.75257%0.572SS**PPolyproline II helixtrans-54.7132.8169.400000108.6E97A95-E97 PolarHBondContact O-N 3.27Å
96G58.7Low72.7Confident43 Ų4380 Ų8044%0.44353%0.534SS..PPolyproline II helixtrans-59.7135.1173.600000109.5P94 C98P94-G96 PolarHBondContact O-N 2.83Å; G96-C98 PolarHBondContact O-N 3.29Å
97E55.9Low74Confident193 Ų19376.2 Ų76.290%0.90250%0.501SS*.PPolyproline II helixtrans-63.4121.6173.5-68.4-176172.600108.6A95 S99A95-E97 PolarHBondContact O-N 3.27Å; E97-S99 PolarHBondContact O-N 2.78Å
98C53.2Low75.5Confident80 Ų8074.9 Ų74.954%0.54149%0.488SS..  trans-66.9102.4169.2-80.20000108.2G96 V100G96-C98 PolarHBondContact O-N 3.29Å; C98-V100 VanDerWaalsContact C-N 3.3Å; C98-V100 PolarHBondContact O-N 2.95Å
99S55.8Low76.5Confident111 Ų11171.5 Ų71.578%0.77646%0.462SS*.  trans-67.894.5164.152.10000107.7E97 P101E97-S99 PolarHBondContact O-N 2.78Å; S99-P101 WeakPolarHBondContact O-CD 3.43Å
100V62.7Low77.4Confident103 Ų10368.1 Ų68.162%0.62443%0.428SS*.PPolyproline II helixtrans-57.6120.3167.4-178.20000106.1C98C98-V100 VanDerWaalsContact C-N 3.3Å; C98-V100 PolarHBondContact O-N 2.95Å
101P67.1Low78.6Confident94 Ų9468.7 Ų68.761%0.6143%0.428SS*.PPolyproline II helixtrans-58.1136.5-179.521.4-30.6000108.6S99 R103S99-P101 WeakPolarHBondContact O-CD 3.43Å; P101-R103 PolarHBondContact O-N 3.32Å
102P82.2Confident79.3Confident36 Ų3668.9 Ų68.923%0.23442%0.419CS..PPolyproline II helixtrans-60.2135.1-177.225.8-34.4000109.7V147 L231 S234 W236P102-V147 HydrophobicContact CB-CB 4.48Å; P102-V147 HydrophobicContact CB-CG1 3.66Å; P102-V147 HydrophobicContact CB-CG2 4.05Å; P102-V147 HydrophobicContact CG-CG1 3.87Å; P102-L231 HydrophobicContact CB-CD2 4.34Å; P102-L231 HydrophobicContact CG-CD2 4.13Å; P102-L231 WeakPolarHBondContact O-CD2 3.41Å; P102-S234 VanDerWaalsContact CG-CB 3.45Å; P102-S234 WeakPolarHBondContact CG-OG 3.42Å; P102-W236 HydrophobicContact CB-CE3 4.39Å; P102-W236 HydrophobicContact CB-CZ3 4.34Å; P102-W236 HydrophobicContact CG-CE3 4.35Å
103R90.4Very high79.7Confident135 Ų13565.1 Ų65.151%0.50940%0.399SS..  trans-109135.7-179.5-59.5-177-175.8-177.71.1109P101 Q133P101-R103 PolarHBondContact O-N 3.32Å; R103-Q133 WeakPolarHBondContact O-CG 3.49Å
104S96.6Very high80.3Confident6 Ų676.1 Ų76.14%0.04243%0.432CS..  trans-158108.1173.9-179.20000107.9H135 Y151 F230 L231S104-H135 PolarHBondContact OG-ND1 2.84Å; S104-Y151 WeakPolarHBondContact OG-CE1 3.47Å; S104-Y151 PolarHBondContact OG-OH 3.2Å; S104-F230 CarbonylContact O-C 3.49Å; S104-F230 VanDerWaalsContact O-CA 3.3Å; S104-F230 WeakPolarHBondContact O-CA 3.24Å; S104-L231 PolarHBondContact O-N 3.4Å
105A98Very high81.1Confident37 Ų3777 Ų7731%0.30643%0.43SS..EExtended strand (participates in β ladder)trans-152.9147178.500000111.3Q133 G229 F230A105-Q133 PolarHBondContact O-OE1 3.45Å; A105-G229 CarbonylContact C-O 3.53Å; A105-G229 WeakPolarHBondContact CA-O 3.27Å; A105-F230 HydrophobicContact CB-CB 3.76Å
106F98.7Very high82.2Confident5 Ų577.3 Ų77.32%0.02242%0.424CS..EExtended strand (participates in β ladder)trans-145.6157.2168.975.3-78.5000110.9V130 N131 Y136 F143 F153 F227 S228 G229F106-V130 CarbonylContact C-O 3.53Å; F106-V130 VanDerWaalsContact CA-O 3.24Å; F106-V130 WeakPolarHBondContact CA-O 3.24Å; F106-N131 HydrophobicContact CB-CB 4.48Å; F106-Y136 HydrophobicContact CB-CG 4.31Å; F106-Y136 AromaticContact CD2-CD1 3.97Å; F106-Y136 HydrophobicContact CD2-CD1 3.97Å; F106-Y136 AromaticContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CD2 3.47Å; F106-Y136 VanDerWaalsContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CE2 4.12Å; F106-Y136 AromaticContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CE1-CD2 4.48Å; F106-Y136 AromaticContact CE2-CD2 3.35Å; F106-Y136 HydrophobicContact CE2-CD2 3.35Å; F106-Y136 AromaticContact CE2-CE2 3.7Å; F106-Y136 HydrophobicContact CE2-CE2 3.7Å; F106-Y136 AromaticContact CE2-CG 3.81Å; F106-Y136 HydrophobicContact CE2-CG 3.81Å; F106-Y136 VanDerWaalsContact CG-CB 3.49Å; F106-Y136 HydrophobicContact CG-CD2 4.12Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CE2 4.38Å; F106-F143 HydrophobicContact CD1-CB 4.48Å; F106-F143 AromaticContact CD1-CD2 3.37Å; F106-F143 HydrophobicContact CD1-CD2 3.37Å; F106-F143 AromaticContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CG 4.21Å; F106-F143 HydrophobicContact CE1-CB 3.76Å; F106-F143 AromaticContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CE2 4.1Å; F106-F143 AromaticContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CG-CD2 4.42Å; F106-F143 HydrophobicContact CZ-CB 4.02Å; F106-F143 HydrophobicContact CZ-CD2 4.36Å; F106-F143 HydrophobicContact CZ-CG 4.45Å; F106-F153 HydrophobicContact CE1-CD1 4.22Å; F106-F153 AromaticContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CZ-CD1 4.2Å; F106-F153 HydrophobicContact CZ-CE1 4.07Å; F106-F227 AromaticContact CE2-CD1 3.66Å; F106-F227 HydrophobicContact CE2-CD1 3.66Å; F106-F227 AromaticContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CG 4.08Å; F106-F227 HydrophobicContact CE2-CZ 4.27Å; F106-F227 AromaticContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD2 4.44Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.12Å; F106-F227 HydrophobicContact CZ-CG 4.36Å; F106-F227 AromaticContact CZ-CZ 3.68Å; F106-F227 HydrophobicContact CZ-CZ 3.68Å; F106-S228 WeakPolarHBondContact O-CA 3.49Å; F106-G229 WeakPolarHBondContact CD1-O 3.31Å; F106-G229 PolarHBondContact N-O 2.93Å; F106-G229 PolarHBondContact O-N 2.96Å
107S98.6Very high83.4Confident20 Ų2076.1 Ų76.114%0.1441%0.409CS..EExtended strand (participates in β ladder)trans-146.2135.2163.5-170.50000108.9L129 V130 F227 S228S107-L129 WeakPolarHBondContact O-CA 2.95Å; S107-L129 WeakPolarHBondContact O-CB 3.39Å; S107-L129 PolarHBondContact O-N 3.36Å; S107-V130 PolarHBondContact N-O 3.38Å; S107-V130 PolarHBondContact O-N 3.16Å; S107-V130 VanDerWaalsContact O-N 3.1Å; S107-F227 WeakPolarHBondContact CA-O 3.27Å; S107-S228 WeakPolarHBondContact CB-OG 3.42Å; S107-S228 PolarHBondContact OG-OG 2.88Å
108A98.5Very high84.6Confident0 Ų069.7 Ų69.70%038%0.383CS..EExtended strand (participates in β ladder)trans-142.2160.3179.400000110.5F125 R127 Y136 T226 F227A108-F125 HydrophobicContact CB-CB 3.73Å; A108-F125 WeakPolarHBondContact CB-O 3.49Å; A108-R127 CarbonylContact C-O 3.57Å; A108-R127 WeakPolarHBondContact CA-O 3.3Å; A108-Y136 HydrophobicContact CB-CD1 4.17Å; A108-Y136 HydrophobicContact CB-CE1 3.59Å; A108-T226 CarbonylContact O-C 3.57Å; A108-T226 VanDerWaalsContact O-CA 3.26Å; A108-T226 WeakPolarHBondContact O-CA 3.35Å; A108-F227 PolarHBondContact N-O 2.87Å; A108-F227 PolarHBondContact O-N 2.84Å
109K97.8Very high85.7Confident36 Ų3668.9 Ų68.916%0.15738%0.379CS..EExtended strand (participates in β ladder)trans-132.3158.3178.270-177.8-169.8159.20111.9F125 D126 R127 L129 D224 S225 T226K109-F125 CarbonylContact O-C 3.6Å; K109-D126 PolarHBondContact O-N 3.38Å; K109-R127 HydrophobicContact CG-CB 3.7Å; K109-R127 PolarHBondContact N-O 3.24Å; K109-R127 WeakPolarHBondContact O-CA 3.35Å; K109-R127 WeakPolarHBondContact O-CB 3.36Å; K109-R127 PolarHBondContact O-N 2.87Å; K109-L129 HydrophobicContact CD-CD2 4Å; K109-L129 HydrophobicContact CG-CD2 4.34Å; K109-D224 HydrophobicContact CD-CB 4.42Å; K109-D224 VanDerWaalsContact CD-OD1 3.31Å; K109-D224 WeakPolarHBondContact CD-OD1 3.42Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.82Å; K109-D224 PolarHBondContact NZ-OD1 2.79Å; K109-D224 IonicContact NZ-OD2 3.67Å; K109-S225 CarbonylContact C-O 3.59Å; K109-S225 VanDerWaalsContact CA-O 3.25Å; K109-S225 WeakPolarHBondContact CA-O 3.33Å; K109-S225 WeakPolarHBondContact CB-O 3.5Å; K109-T226 HydrophobicContact CB-CG2 4.01Å
110R93.9Very high86.8Confident27 Ų2769.8 Ų69.810%0.10238%0.375CS..PPolyproline II helixtrans-77.1142.9176.1-73.9-154.662.4102.8-2.7112.1L123 P124 F125 A219 S225R110-L123 VanDerWaalsContact NH1-CG 3.3Å; R110-P124 PolarHBondContact NH1-O 3.43Å; R110-F125 HydrophobicContact CG-CD1 3.64Å; R110-F125 HydrophobicContact CG-CE1 3.89Å; R110-F125 HydrophobicContact CG-CG 4.11Å; R110-A219 HydrophobicContact CB-CB 4.26Å; R110-S225 PolarHBondContact N-O 3.26Å
111S93.7Very high88.2Confident39 Ų3966.5 Ų66.527%0.27336%0.358SS..PPolyproline II helixtrans-71.4157.6161.6-76.10000112.4S113 D126 R127S111-S113 PolarHBondContact O-N 2.93Å; S111-D126 WeakPolarHBondContact CB-OD1 3.36Å; S111-D126 WeakPolarHBondContact CB-OD2 3.26Å; S111-D126 PolarHBondContact N-OD1 3.37Å; S111-D126 PolarHBondContact OG-OD2 2.81Å; S111-R127 VanDerWaalsContact OG-CD 3.28Å; S111-R127 WeakPolarHBondContact OG-CD 3.47Å; S111-R127 VanDerWaalsContact OG-CG 3.23Å; S111-R127 WeakPolarHBondContact OG-CG 3.39Å
112E92.3Very high89.5Confident115 Ų11563.6 Ų63.654%0.53734%0.34SS..PPolyproline II helixtrans-62.9118.5170.7-58.2-173.9-126.200109.1I221E112-I221 WeakPolarHBondContact OE1-CG1 3.46Å; E112-I221 PolarHBondContact OE1-N 3.19Å; E112-I221 PolarHBondContact OE2-N 2.83Å
113S85.5Confident90.1Very high55 Ų5562 Ų6239%0.38533%0.329SS..  trans-125.3136.9177.9-179.80000110.4S111 L115S111-S113 PolarHBondContact O-N 2.93Å; S113-L115 PolarHBondContact OG-N 2.98Å; S113-L115 PolarHBondContact OG-O 2.82Å
114R78.7Confident90.3Very high256 Ų25657 Ų5797%0.96631%0.314SS*.SBendtrans-92.1-15.3166.5-65-174.5-180-128.80.8112.4
115L84Confident90.3Very high136 Ų13656.7 Ų56.771%0.71231%0.312SS*.SBendtrans-81.1140.4176.7-63.2175.6000109.3S113S113-L115 PolarHBondContact OG-N 2.98Å; S113-L115 PolarHBondContact OG-O 2.82Å
116P83.1Confident90.2Very high97 Ų9758.3 Ų58.363%0.6332%0.316SS*.PPolyproline II helixtrans-52.5140.3169.6-21.932.2000110.1I215P116-I215 HydrophobicContact CB-CD1 3.97Å
117P84.4Confident90.1Very high18 Ų1864 Ų6412%0.11734%0.337CS..PPolyproline II helixtrans-63.2151.7171.430.8-36.1000109.8S119 L123 I215 I217P117-S119 PolarHBondContact O-N 3.23Å; P117-L123 HydrophobicContact CB-CD1 3.47Å; P117-L123 VanDerWaalsContact CB-CD1 3.47Å; P117-I215 HydrophobicContact CG-CB 3.71Å; P117-I215 HydrophobicContact CG-CG2 4.16Å; P117-I217 HydrophobicContact CB-CG2 4.3Å; P117-I217 HydrophobicContact CG-CG2 4.04Å
118P82.1Confident90.1Very high57 Ų5766.3 Ų66.337%0.3735%0.35SS..PPolyproline II helixtrans-61.9131.5175.127.4-34.3000110.4A121P118-A121 HydrophobicContact CB-CB 4.17Å
119S75.1Confident90Very high63 Ų6371.1 Ų71.144%0.44138%0.375SS..SBendtrans-84.3145.9166.954.20000109.4P117 A121P117-S119 PolarHBondContact O-N 3.23Å; S119-A121 PolarHBondContact O-N 3.09Å
120D80.4Confident90.1Very high130 Ų13072.3 Ų72.370%0.69539%0.386SS*.SBendtrans61.221.8177.8-51.8-40.3000115.7
121A90.4Very high90.2Very high34 Ų3472.8 Ų72.828%0.28139%0.39SS..SBendtrans-135.7158.9172.200000110.6P118 S119 L123P118-A121 HydrophobicContact CB-CB 4.17Å; S119-A121 PolarHBondContact O-N 3.09Å; A121-L123 PolarHBondContact O-N 3.12Å
122P95Very high90.3Very high34 Ų3478 Ų7822%0.22141%0.41CS..BIsolated β-bridgetrans-53.5135.4172-25.334.1000111.6P124 T140 K142 W206P122-P124 VanDerWaalsContact O-CD 3.27Å; P122-P124 WeakPolarHBondContact O-CD 3.46Å; P122-T140 VanDerWaalsContact CB-O 3.27Å; P122-T140 WeakPolarHBondContact CB-O 3.27Å; P122-K142 HydrophobicContact CB-CG 4.24Å; P122-K142 HydrophobicContact CG-CD 4.48Å; P122-K142 HydrophobicContact CG-CG 4.23Å; P122-W206 HydrophobicContact CB-CB 4.17Å; P122-W206 HydrophobicContact CB-CG 3.92Å; P122-W206 HydrophobicContact CG-CD2 4.31Å; P122-W206 HydrophobicContact CG-CG 4.05Å
123L94.3Very high90.5Very high1 Ų175.3 Ų75.31%0.00540%0.398CS..  trans-85.9113.3-178.1-169.169.7000109.4R110 P117 A121 F125 V207 I217R110-L123 VanDerWaalsContact NH1-CG 3.3Å; P117-L123 HydrophobicContact CB-CD1 3.47Å; P117-L123 VanDerWaalsContact CB-CD1 3.47Å; A121-L123 PolarHBondContact O-N 3.12Å; L123-F125 HydrophobicContact CB-CE2 4.37Å; L123-F125 HydrophobicContact CD2-CE2 4.18Å; L123-F125 HydrophobicContact CD2-CZ 4.14Å; L123-F125 HydrophobicContact CG-CE2 4.36Å; L123-F125 VanDerWaalsContact O-CD2 3.26Å; L123-F125 WeakPolarHBondContact O-CD2 3.24Å; L123-F125 WeakPolarHBondContact O-CE2 3.48Å; L123-F125 PolarHBondContact O-N 2.88Å; L123-V207 HydrophobicContact CB-CB 4.43Å; L123-V207 VanDerWaalsContact CB-O 3.26Å; L123-V207 WeakPolarHBondContact CB-O 3.35Å; L123-V207 HydrophobicContact CD2-CG1 4.31Å; L123-V207 PolarHBondContact N-O 3.28Å; L123-I217 HydrophobicContact CD1-CG2 4.5Å; L123-I217 HydrophobicContact CD2-CD1 3.52Å; L123-I217 HydrophobicContact CD2-CG2 4.07Å
124P94.5Very high91Very high31 Ų3175.1 Ų75.120%0.20140%0.404CS..  trans-71.6131.2-176.926.1-33.8000111.5R110 P122R110-P124 PolarHBondContact NH1-O 3.43Å; P122-P124 VanDerWaalsContact O-CD 3.27Å; P122-P124 WeakPolarHBondContact O-CD 3.46Å
125F96.8Very high91.9Very high0 Ų064.3 Ų64.30%037%0.365CS..  trans-107.385164.4-63.1-106.6000106.7A108 K109 R110 L123 R127 Y136 V207 I217 S225 F227A108-F125 HydrophobicContact CB-CB 3.73Å; A108-F125 WeakPolarHBondContact CB-O 3.49Å; K109-F125 CarbonylContact O-C 3.6Å; R110-F125 HydrophobicContact CG-CD1 3.64Å; R110-F125 HydrophobicContact CG-CE1 3.89Å; R110-F125 HydrophobicContact CG-CG 4.11Å; L123-F125 HydrophobicContact CB-CE2 4.37Å; L123-F125 HydrophobicContact CD2-CE2 4.18Å; L123-F125 HydrophobicContact CD2-CZ 4.14Å; L123-F125 HydrophobicContact CG-CE2 4.36Å; L123-F125 VanDerWaalsContact O-CD2 3.26Å; L123-F125 WeakPolarHBondContact O-CD2 3.24Å; L123-F125 WeakPolarHBondContact O-CE2 3.48Å; L123-F125 PolarHBondContact O-N 2.88Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 2.75Å; F125-Y136 WeakPolarHBondContact CB-OH 3.37Å; F125-Y136 PolarHBondContact N-OH 3.14Å; F125-Y136 PolarHBondContact O-OH 3.04Å; F125-V207 HydrophobicContact CE2-CB 3.99Å; F125-V207 HydrophobicContact CE2-CG1 4.49Å; F125-V207 HydrophobicContact CE2-CG2 3.98Å; F125-V207 HydrophobicContact CZ-CG2 4.36Å; F125-I217 HydrophobicContact CZ-CD1 4.27Å; F125-S225 WeakPolarHBondContact CD1-O 3.47Å; F125-F227 HydrophobicContact CD1-CB 3.73Å; F125-F227 HydrophobicContact CD2-CB 3.67Å; F125-F227 HydrophobicContact CD2-CD1 4Å; F125-F227 HydrophobicContact CD2-CG 4.26Å; F125-F227 HydrophobicContact CE1-CB 3.71Å; F125-F227 HydrophobicContact CE2-CB 3.67Å; F125-F227 HydrophobicContact CE2-CD1 4.19Å; F125-F227 HydrophobicContact CE2-CG 4.19Å; F125-F227 HydrophobicContact CG-CB 3.73Å; F125-F227 HydrophobicContact CZ-CB 3.69Å
126D95.9Very high92.6Very high70 Ų7058.1 Ų58.137%0.37433%0.332SS..  trans-76.4-15.5-163.559.9-61.3000114.1K109 S111K109-D126 PolarHBondContact O-N 3.38Å; S111-D126 WeakPolarHBondContact CB-OD1 3.36Å; S111-D126 WeakPolarHBondContact CB-OD2 3.26Å; S111-D126 PolarHBondContact N-OD1 3.37Å; S111-D126 PolarHBondContact OG-OD2 2.81Å
127R97.1Very high93.3Very high125 Ų12556.7 Ų56.747%0.47232%0.319SS..EExtended strand (participates in β ladder)trans-101.596.6177.7-60.3-172.465.4177.73.3110.9A108 K109 S111 F125A108-R127 CarbonylContact C-O 3.57Å; A108-R127 WeakPolarHBondContact CA-O 3.3Å; K109-R127 HydrophobicContact CG-CB 3.7Å; K109-R127 PolarHBondContact N-O 3.24Å; K109-R127 WeakPolarHBondContact O-CA 3.35Å; K109-R127 WeakPolarHBondContact O-CB 3.36Å; K109-R127 PolarHBondContact O-N 2.87Å; S111-R127 VanDerWaalsContact OG-CD 3.28Å; S111-R127 WeakPolarHBondContact OG-CD 3.47Å; S111-R127 VanDerWaalsContact OG-CG 3.23Å; S111-R127 WeakPolarHBondContact OG-CG 3.39Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 2.75Å
128V98.2Very high93.9Very high68 Ų6856.9 Ų56.941%0.41232%0.322SS..EExtended strand (participates in β ladder)trans-65.9131.8176.5179.90000110.9N131 A138V128-N131 HydrophobicContact CG1-CB 3.49Å; V128-N131 VanDerWaalsContact CG1-CB 3.49Å; V128-A138 HydrophobicContact CG2-CB 3.74Å
129L98Very high94.5Very high102 Ų10260.3 Ų60.353%0.53434%0.342SS..EExtended strand (participates in β ladder)trans-95.5-47.1169.7-59.7178.4000110.6S107 K109S107-L129 WeakPolarHBondContact O-CA 2.95Å; S107-L129 WeakPolarHBondContact O-CB 3.39Å; S107-L129 PolarHBondContact O-N 3.36Å; K109-L129 HydrophobicContact CD-CD2 4Å; K109-L129 HydrophobicContact CG-CD2 4.34Å
130V98.2Very high95.5Very high61 Ų6160.2 Ų60.237%0.3734%0.338SS..EExtended strand (participates in β ladder)trans-148137.417463.70000109F106 S107 E132F106-V130 CarbonylContact C-O 3.53Å; F106-V130 VanDerWaalsContact CA-O 3.24Å; F106-V130 WeakPolarHBondContact CA-O 3.24Å; S107-V130 PolarHBondContact N-O 3.38Å; S107-V130 PolarHBondContact O-N 3.16Å; S107-V130 VanDerWaalsContact O-N 3.1Å; V130-E132 HydrophobicContact CG2-CG 4.08Å
131N97.6Very high96.3Very high37 Ų3754 Ų5420%0.19831%0.305CS..  trans-164.353.7177.7-173.526000109.8F106 V128 Q133 G134 H135 Y136F106-N131 HydrophobicContact CB-CB 4.48Å; V128-N131 HydrophobicContact CG1-CB 3.49Å; V128-N131 VanDerWaalsContact CG1-CB 3.49Å; N131-Q133 PolarHBondContact O-N 2.85Å; N131-G134 PolarHBondContact O-N 3.28Å; N131-G134 VanDerWaalsContact O-N 3.09Å; N131-G134 WeakPolarHBondContact OD1-CA 3.45Å; N131-G134 PolarHBondContact OD1-N 3.35Å; N131-H135 PolarHBondContact OD1-N 3.45Å; N131-Y136 PolarHBondContact ND2-O 3.32Å; N131-Y136 PolarHBondContact OD1-N 2.86Å
132E95.4Very high96.6Very high149 Ų14954.6 Ų54.670%0.69630%0.302SS*.THydrogen-bonded Turntrans-59.1-34.3-171.4-66.3-179.9167.100113.1V130V130-E132 HydrophobicContact CG2-CG 4.08Å
133Q95.3Very high96.8Very high58 Ų5853 Ų5327%0.27129%0.291SS..THydrogen-bonded Turntrans-87.7-9.1-179.7-59.881.341.200113.6R103 A105 N131 H135R103-Q133 WeakPolarHBondContact O-CG 3.49Å; A105-Q133 PolarHBondContact O-OE1 3.45Å; N131-Q133 PolarHBondContact O-N 2.85Å; Q133-H135 VanDerWaalsContact CB-CE1 3.5Å; Q133-H135 WeakPolarHBondContact CB-CE1 3.08Å; Q133-H135 PolarHBondContact O-CD2 2.83Å; Q133-H135 PolarHBondContact O-N 2.84Å
134G96.9Very high97Very high51 Ų5154.3 Ų54.353%0.52630%0.299SS..  trans67.217.2-177.800000114.6N131 Y136N131-G134 PolarHBondContact O-N 3.28Å; N131-G134 VanDerWaalsContact O-N 3.09Å; N131-G134 WeakPolarHBondContact OD1-CA 3.45Å; N131-G134 PolarHBondContact OD1-N 3.35Å; G134-Y136 VanDerWaalsContact C-N 3.26Å; G134-Y136 PolarHBondContact O-N 2.7Å
135H98Very high97.1Very high29 Ų2952.8 Ų52.813%0.13429%0.289CS..  trans-73.2-19.4179.5-61.4165000112.9S104 N131 Q133 F143 T144S104-H135 PolarHBondContact OG-ND1 2.84Å; N131-H135 PolarHBondContact OD1-N 3.45Å; Q133-H135 VanDerWaalsContact CB-CE1 3.5Å; Q133-H135 WeakPolarHBondContact CB-CE1 3.08Å; Q133-H135 PolarHBondContact O-CD2 2.83Å; Q133-H135 PolarHBondContact O-N 2.84Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.26Å; H135-F143 WeakPolarHBondContact O-CA 3.27Å; H135-T144 PolarHBondContact O-N 3.33Å
136Y98.6Very high97Very high5 Ų557.1 Ų57.12%0.0231%0.309CS..EExtended strand (participates in β ladder)trans-97.2130.8171.7-178.2-105.4000111.3F106 A108 F125 N131 G134 A138 G141 F143 F227F106-Y136 HydrophobicContact CB-CG 4.31Å; F106-Y136 AromaticContact CD2-CD1 3.97Å; F106-Y136 HydrophobicContact CD2-CD1 3.97Å; F106-Y136 AromaticContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CD2 3.47Å; F106-Y136 VanDerWaalsContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CE2 4.12Å; F106-Y136 AromaticContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CE1-CD2 4.48Å; F106-Y136 AromaticContact CE2-CD2 3.35Å; F106-Y136 HydrophobicContact CE2-CD2 3.35Å; F106-Y136 AromaticContact CE2-CE2 3.7Å; F106-Y136 HydrophobicContact CE2-CE2 3.7Å; F106-Y136 AromaticContact CE2-CG 3.81Å; F106-Y136 HydrophobicContact CE2-CG 3.81Å; F106-Y136 VanDerWaalsContact CG-CB 3.49Å; F106-Y136 HydrophobicContact CG-CD2 4.12Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CE2 4.38Å; A108-Y136 HydrophobicContact CB-CD1 4.17Å; A108-Y136 HydrophobicContact CB-CE1 3.59Å; F125-Y136 WeakPolarHBondContact CB-OH 3.37Å; F125-Y136 PolarHBondContact N-OH 3.14Å; F125-Y136 PolarHBondContact O-OH 3.04Å; N131-Y136 PolarHBondContact ND2-O 3.32Å; N131-Y136 PolarHBondContact OD1-N 2.86Å; G134-Y136 VanDerWaalsContact C-N 3.26Å; G134-Y136 PolarHBondContact O-N 2.7Å; Y136-A138 HydrophobicContact CD1-CB 4.45Å; Y136-A138 HydrophobicContact CE1-CB 4.05Å; Y136-G141 WeakPolarHBondContact OH-CA 3.24Å; Y136-F143 HydrophobicContact CD2-CB 4.29Å; Y136-F227 AromaticContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CE1 4.04Å
137D98.1Very high96.9Very high68 Ų6854.4 Ų54.436%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-102.7110.8172.2175.84.7000109.9V139 T140 G141 K142D137-V139 VanDerWaalsContact C-N 3.27Å; D137-V139 PolarHBondContact O-N 3.14Å; D137-V139 WeakPolarHBondContact OD1-CB 3.33Å; D137-V139 PolarHBondContact OD1-N 3.19Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; D137-T140 PolarHBondContact OD1-N 3.04Å; D137-T140 WeakPolarHBondContact OD2-CB 3.35Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.45Å; D137-T140 PolarHBondContact OD2-OG1 2.76Å; D137-G141 WeakPolarHBondContact O-CA 3.4Å; D137-G141 PolarHBondContact O-N 2.75Å; D137-K142 PolarHBondContact N-O 2.92Å; D137-K142 PolarHBondContact O-N 2.87Å
138A96.8Very high96.8Very high22 Ų2249.1 Ų49.118%0.18228%0.278CS..THydrogen-bonded Turntrans-71.3-19-178.200000113.8V128 Y136V128-A138 HydrophobicContact CG2-CB 3.74Å; Y136-A138 HydrophobicContact CD1-CB 4.45Å; Y136-A138 HydrophobicContact CE1-CB 4.05Å
139V94.8Very high96.6Very high128 Ų12845.9 Ų45.978%0.77626%0.258SS*.THydrogen-bonded Turntrans-78.5-47.7177.3-178.50000109.8D137D137-V139 VanDerWaalsContact C-N 3.27Å; D137-V139 PolarHBondContact O-N 3.14Å; D137-V139 WeakPolarHBondContact OD1-CB 3.33Å; D137-V139 PolarHBondContact OD1-N 3.19Å
140T95.4Very high96.6Very high61 Ų6141.8 Ų41.837%0.37424%0.237SC..THydrogen-bonded Turntrans-84.6-20.6-179.859.70000113.2P122 D137 K142P122-T140 VanDerWaalsContact CB-O 3.27Å; P122-T140 WeakPolarHBondContact CB-O 3.27Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; D137-T140 PolarHBondContact OD1-N 3.04Å; D137-T140 WeakPolarHBondContact OD2-CB 3.35Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.45Å; D137-T140 PolarHBondContact OD2-OG1 2.76Å; T140-K142 VanDerWaalsContact C-N 3.3Å
141G96.4Very high96.6Very high0 Ų038.9 Ų38.90%022%0.219CC..THydrogen-bonded Turntrans7911.3-175.600000114.2Y136 D137Y136-G141 WeakPolarHBondContact OH-CA 3.24Å; D137-G141 WeakPolarHBondContact O-CA 3.4Å; D137-G141 PolarHBondContact O-N 2.75Å
142K98.3Very high96.6Very high47 Ų4741.2 Ų41.220%0.20423%0.226CC..EExtended strand (participates in β ladder)trans-105.9139.4-173.7-63.5-174.8169.5-169.40112P122 D137 T140 W206P122-K142 HydrophobicContact CB-CG 4.24Å; P122-K142 HydrophobicContact CG-CD 4.48Å; P122-K142 HydrophobicContact CG-CG 4.23Å; D137-K142 PolarHBondContact N-O 2.92Å; D137-K142 PolarHBondContact O-N 2.87Å; T140-K142 VanDerWaalsContact C-N 3.3Å; K142-W206 HydrophobicContact CD-CE3 4.3Å; K142-W206 HydrophobicContact CG-CB 4.08Å; K142-W206 HydrophobicContact CG-CD2 4.46Å; K142-W206 HydrophobicContact CG-CE3 4.28Å; K142-W206 HydrophobicContact CG-CG 4.42Å
143F98.6Very high96.8Very high0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-91.1132.3161.8173.1-94.9000109.1F106 H135 Y136 C145 Y151 F153 L199 Q204 V205F106-F143 HydrophobicContact CD1-CB 4.48Å; F106-F143 AromaticContact CD1-CD2 3.37Å; F106-F143 HydrophobicContact CD1-CD2 3.37Å; F106-F143 AromaticContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CG 4.21Å; F106-F143 HydrophobicContact CE1-CB 3.76Å; F106-F143 AromaticContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CE2 4.1Å; F106-F143 AromaticContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CG-CD2 4.42Å; F106-F143 HydrophobicContact CZ-CB 4.02Å; F106-F143 HydrophobicContact CZ-CD2 4.36Å; F106-F143 HydrophobicContact CZ-CG 4.45Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.26Å; H135-F143 WeakPolarHBondContact O-CA 3.27Å; Y136-F143 HydrophobicContact CD2-CB 4.29Å; F143-C145 HydrophobicContact CE1-CB 4.11Å; F143-Y151 HydrophobicContact CE1-CD1 4.21Å; F143-Y151 HydrophobicContact CE1-CE1 4.01Å; F143-Y151 HydrophobicContact CZ-CD1 4.02Å; F143-Y151 AromaticContact CZ-CE1 3.53Å; F143-Y151 HydrophobicContact CZ-CE1 3.53Å; F143-F153 HydrophobicContact CB-CE1 4.23Å; F143-F153 AromaticContact CD1-CE1 3.96Å; F143-F153 HydrophobicContact CD1-CE1 3.96Å; F143-F153 AromaticContact CD1-CZ 3.69Å; F143-F153 HydrophobicContact CD1-CZ 3.69Å; F143-F153 AromaticContact CE1-CZ 4Å; F143-F153 HydrophobicContact CE1-CZ 4Å; F143-F153 HydrophobicContact CG-CE1 4.06Å; F143-F153 HydrophobicContact CG-CZ 4.27Å; F143-L199 HydrophobicContact CD1-CD1 4.18Å; F143-L199 HydrophobicContact CE1-CD1 3.73Å; F143-Q204 CarbonylContact O-C 3.58Å; F143-Q204 VanDerWaalsContact O-CA 3.24Å; F143-Q204 WeakPolarHBondContact O-CA 3.42Å; F143-V205 HydrophobicContact CD1-CB 4.41Å; F143-V205 PolarHBondContact N-O 3.36Å; F143-V205 PolarHBondContact O-N 3.06Å
144T98.4Very high97Very high28 Ų2831.8 Ų31.817%0.17218%0.183CC..EExtended strand (participates in β ladder)trans-115121.7173.8-53.40000109.2H135 Q204H135-T144 PolarHBondContact O-N 3.33Å; T144-Q204 HydrophobicContact CG2-CG 4.3Å; T144-Q204 PolarHBondContact OG1-NE2 2.91Å
145C97.1Very high97.1Very high0 Ų029.3 Ų29.30%016%0.158CC..  trans-69.4133-178.3-175.10000111.3F143 V147 L199 E200 P201 E202 D203F143-C145 HydrophobicContact CE1-CB 4.11Å; C145-V147 PolarHBondContact SG-O 2.51Å; C145-L199 HydrophobicContact CB-CB 3.92Å; C145-L199 HydrophobicContact CB-CD1 4.09Å; C145-L199 VanDerWaalsContact SG-CB 3.55Å; C145-E200 VanDerWaalsContact CB-O 3.26Å; C145-E200 WeakPolarHBondContact CB-O 3.31Å; C145-E200 PolarHBondContact SG-O 2.91Å; C145-E200 VanDerWaalsContact SG-O 3.32Å; C145-P201 WeakPolarHBondContact O-CA 3.31Å; C145-E202 PolarHBondContact O-N 2.89Å; C145-D203 HydrophobicContact CB-CB 4.26Å; C145-D203 WeakPolarHBondContact CB-O 3.31Å; C145-D203 PolarHBondContact N-O 3.34Å
146Q94.3Very high97.1Very high90 Ų9032.5 Ų32.542%0.42117%0.173SC..  trans-116.5-21.8172.1-67.1-62.9-39.200112.5E202Q146-E202 PolarHBondContact NE2-OE1 3.37Å; Q146-E202 VanDerWaalsContact NE2-OE1 3.13Å
147V93.6Very high97Very high14 Ų1432.4 Ų32.49%0.08517%0.173CC..SBendtrans-117.6119.5-178.4-179.30000108.7P102 C145 Y151 L231P102-V147 HydrophobicContact CB-CB 4.48Å; P102-V147 HydrophobicContact CB-CG1 3.66Å; P102-V147 HydrophobicContact CB-CG2 4.05Å; P102-V147 HydrophobicContact CG-CG1 3.87Å; C145-V147 PolarHBondContact SG-O 2.51Å; V147-Y151 VanDerWaalsContact O-CE2 3.3Å; V147-Y151 WeakPolarHBondContact O-CE2 3.3Å; V147-Y151 PolarHBondContact O-OH 3.45Å; V147-L231 HydrophobicContact CB-CD2 4.35Å; V147-L231 HydrophobicContact CG1-CD2 3.83Å
148P94.8Very high97Very high14 Ų1430 Ų309%0.09116%0.161CC..  trans-64.5138.4177.126.1-32000110.9L199 S234 D235P148-L199 WeakPolarHBondContact CA-O 3.47Å; P148-S234 WeakPolarHBondContact O-CA 3.3Å; P148-D235 PolarHBondContact O-N 2.87Å
149G94.8Very high97Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans158.2-165.2177.500000113.2R198 L199 Y233G149-R198 WeakPolarHBondContact O-CA 3.38Å; G149-L199 PolarHBondContact N-O 3.36Å; G149-L199 PolarHBondContact O-N 2.81Å; G149-Y233 WeakPolarHBondContact CA-O 3.2Å
150V96.9Very high97.1Very high15 Ų1525.6 Ų25.69%0.09113%0.126CC..EExtended strand (participates in β ladder)trans-101.3127.9178.2177.90000110.4M196 R198 V232 Y233V150-M196 HydrophobicContact CG1-CB 4.3Å; V150-M196 HydrophobicContact CG1-CE 3.59Å; V150-R198 HydrophobicContact CG2-CB 4.21Å; V150-R198 HydrophobicContact CG2-CG 4.49Å; V150-V232 WeakPolarHBondContact O-CB 3.25Å; V150-V232 PolarHBondContact O-N 2.96Å; V150-Y233 HydrophobicContact CB-CD1 4.24Å; V150-Y233 HydrophobicContact CB-CD2 4.49Å; V150-Y233 HydrophobicContact CB-CE1 3.71Å; V150-Y233 HydrophobicContact CB-CE2 3.98Å; V150-Y233 HydrophobicContact CG1-CE1 4.21Å; V150-Y233 HydrophobicContact CG2-CE1 4Å; V150-Y233 HydrophobicContact CG2-CE2 3.65Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.41Å; V150-Y233 PolarHBondContact N-O 3.1Å
151Y98.4Very high96.9Very high0 Ų031.8 Ų31.80%014%0.143CC..EExtended strand (participates in β ladder)trans-111.9148.4-178.6-73.6-100.8000110.3S104 F143 V147 F153 M196 V197 L199 F230 L231S104-Y151 WeakPolarHBondContact OG-CE1 3.47Å; S104-Y151 PolarHBondContact OG-OH 3.2Å; F143-Y151 HydrophobicContact CE1-CD1 4.21Å; F143-Y151 HydrophobicContact CE1-CE1 4.01Å; F143-Y151 HydrophobicContact CZ-CD1 4.02Å; F143-Y151 AromaticContact CZ-CE1 3.53Å; F143-Y151 HydrophobicContact CZ-CE1 3.53Å; V147-Y151 VanDerWaalsContact O-CE2 3.3Å; V147-Y151 WeakPolarHBondContact O-CE2 3.3Å; V147-Y151 PolarHBondContact O-OH 3.45Å; Y151-F153 VanDerWaalsContact CB-CE2 3.47Å; Y151-F153 HydrophobicContact CD1-CZ 4.47Å; Y151-F153 HydrophobicContact CG-CE2 4.3Å; Y151-F153 HydrophobicContact CG-CZ 4.48Å; Y151-M196 CarbonylContact O-C 3.54Å; Y151-M196 WeakPolarHBondContact O-CA 3.19Å; Y151-V197 PolarHBondContact N-O 2.87Å; Y151-V197 PolarHBondContact O-N 3.44Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.85Å; Y151-L199 HydrophobicContact CD2-CD1 3.62Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.98Å; Y151-L199 HydrophobicContact CE2-CD1 4.08Å; Y151-L199 HydrophobicContact CE2-CG 4.36Å; Y151-L199 HydrophobicContact CG-CD1 3.8Å; Y151-L199 HydrophobicContact CG-CG 4.33Å; Y151-F230 VanDerWaalsContact CA-O 3.31Å; Y151-F230 WeakPolarHBondContact CA-O 3.45Å; Y151-F230 VanDerWaalsContact CD1-C 3.5Å; Y151-L231 HydrophobicContact CD1-CB 4.18Å; Y151-L231 HydrophobicContact CD2-CD1 4.14Å; Y151-L231 HydrophobicContact CE1-CB 3.71Å; Y151-L231 HydrophobicContact CE1-CD1 4.21Å; Y151-L231 HydrophobicContact CE2-CD1 3.65Å
152Y98.6Very high96.7Very high86 Ų8633.3 Ų33.334%0.33716%0.155SC..EExtended strand (participates in β ladder)trans-109.3132.4166.2178.2-109.5000109.1A154 M196 G229 F230Y152-A154 HydrophobicContact CE1-CB 3.8Å; Y152-M196 HydrophobicContact CD2-CG 3.71Å; Y152-M196 HydrophobicContact CG-CG 4.46Å; Y152-G229 CarbonylContact O-C 3.57Å; Y152-G229 WeakPolarHBondContact O-CA 3.48Å; Y152-F230 AromaticContact CD1-CE1 3.63Å; Y152-F230 HydrophobicContact CD1-CE1 3.63Å; Y152-F230 AromaticContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CE1-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CZ 4.33Å; Y152-F230 PolarHBondContact N-O 3.04Å; Y152-F230 PolarHBondContact O-N 3.43Å
153F98.8Very high96.7Very high1 Ų131.8 Ų31.80%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-119.5141.1174.4-67.4-89000110.1F106 F143 Y151 L168 G194 A195 V197 L199 V205 F227 S228F106-F153 HydrophobicContact CE1-CD1 4.22Å; F106-F153 AromaticContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CZ-CD1 4.2Å; F106-F153 HydrophobicContact CZ-CE1 4.07Å; F143-F153 HydrophobicContact CB-CE1 4.23Å; F143-F153 AromaticContact CD1-CE1 3.96Å; F143-F153 HydrophobicContact CD1-CE1 3.96Å; F143-F153 AromaticContact CD1-CZ 3.69Å; F143-F153 HydrophobicContact CD1-CZ 3.69Å; F143-F153 AromaticContact CE1-CZ 4Å; F143-F153 HydrophobicContact CE1-CZ 4Å; F143-F153 HydrophobicContact CG-CE1 4.06Å; F143-F153 HydrophobicContact CG-CZ 4.27Å; Y151-F153 VanDerWaalsContact CB-CE2 3.47Å; Y151-F153 HydrophobicContact CD1-CZ 4.47Å; Y151-F153 HydrophobicContact CG-CE2 4.3Å; Y151-F153 HydrophobicContact CG-CZ 4.48Å; F153-L168 HydrophobicContact CB-CD1 4.15Å; F153-L168 HydrophobicContact CB-CD2 4.14Å; F153-G194 CarbonylContact O-C 3.53Å; F153-G194 WeakPolarHBondContact O-CA 3.42Å; F153-A195 PolarHBondContact N-O 2.88Å; F153-A195 PolarHBondContact O-N 2.79Å; F153-V197 HydrophobicContact CD2-CG1 3.84Å; F153-V197 HydrophobicContact CE2-CG1 3.66Å; F153-L199 HydrophobicContact CE2-CD1 3.93Å; F153-L199 HydrophobicContact CZ-CD1 3.87Å; F153-V205 HydrophobicContact CD1-CG1 3.93Å; F153-V205 HydrophobicContact CD2-CG1 4.1Å; F153-V205 HydrophobicContact CE1-CB 3.94Å; F153-V205 HydrophobicContact CE1-CG1 3.73Å; F153-V205 HydrophobicContact CE2-CB 4.19Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.95Å; F153-V205 HydrophobicContact CG-CG1 4.1Å; F153-V205 HydrophobicContact CZ-CB 3.71Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.81Å; F153-F227 HydrophobicContact CB-CE2 4.23Å; F153-F227 AromaticContact CD1-CE2 3.74Å; F153-F227 HydrophobicContact CD1-CE2 3.74Å; F153-F227 AromaticContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CE1-CZ 4.31Å; F153-F227 HydrophobicContact CG-CE2 4.42Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å
154A98.7Very high96.6Very high8 Ų831.8 Ų31.87%0.06615%0.15CC..EExtended strand (participates in β ladder)trans-139.6136177.400000111.1Y152 G193 S228Y152-A154 HydrophobicContact CE1-CB 3.8Å; A154-G193 CarbonylContact C-O 3.39Å; A154-G193 WeakPolarHBondContact CA-O 3.38Å; A154-S228 PolarHBondContact N-O 2.87Å; A154-S228 PolarHBondContact O-N 2.76Å
155V98.6Very high96.5Very high0 Ų031.2 Ų31.20%015%0.146CC..EExtended strand (participates in β ladder)trans-118.1128.9171.6-179.50000107.7A157 F166 L168 S192 G193 V207 T226 F227V155-A157 HydrophobicContact CG1-CB 4.37Å; V155-F166 HydrophobicContact CB-CE1 4.38Å; V155-F166 HydrophobicContact CB-CE2 3.77Å; V155-F166 HydrophobicContact CB-CZ 3.6Å; V155-F166 HydrophobicContact CG1-CE1 3.93Å; V155-F166 HydrophobicContact CG1-CE2 4.04Å; V155-F166 HydrophobicContact CG1-CZ 3.66Å; V155-F166 HydrophobicContact CG2-CE2 3.9Å; V155-F166 HydrophobicContact CG2-CZ 4.26Å; V155-L168 HydrophobicContact CG2-CD2 4.12Å; V155-S192 CarbonylContact O-C 3.58Å; V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.45Å; V155-G193 PolarHBondContact N-O 3.38Å; V155-G193 PolarHBondContact O-N 3.38Å; V155-V207 HydrophobicContact CG2-CG2 3.46Å; V155-V207 VanDerWaalsContact CG2-CG2 3.46Å; V155-T226 WeakPolarHBondContact CA-O 3.41Å; V155-F227 HydrophobicContact CG2-CD2 3.64Å; V155-F227 HydrophobicContact CG2-CE2 4.23Å; V155-F227 HydrophobicContact CG2-CG 4.37Å
156H98.6Very high96.4Very high95 Ų9531.3 Ų31.344%0.4415%0.146SC..EExtended strand (participates in β ladder)trans-120109.2168.7-59-74.3000107.3S192 S225 T226H156-S192 WeakPolarHBondContact ND1-CB 3.49Å; H156-S192 PolarHBondContact ND1-OG 2.82Å; H156-S225 CarbonylContact O-C 3.58Å; H156-S225 VanDerWaalsContact O-CA 3.24Å; H156-S225 WeakPolarHBondContact O-CA 3.42Å; H156-T226 PolarHBondContact N-O 2.9Å; H156-T226 PolarHBondContact O-N 2.84Å
157A97.8Very high96.5Very high4 Ų427.9 Ų27.93%0.03313%0.131CC..EExtended strand (participates in β ladder)trans-112137.9-173.800000111.4V155 L164 S190 L191 I217 S225V155-A157 HydrophobicContact CG1-CB 4.37Å; A157-L164 HydrophobicContact CB-CD2 3.55Å; A157-S190 CarbonylContact O-C 3.53Å; A157-S190 WeakPolarHBondContact O-CA 3.19Å; A157-L191 PolarHBondContact N-O 2.86Å; A157-L191 PolarHBondContact O-N 2.97Å; A157-I217 HydrophobicContact CB-CD1 4.13Å; A157-I217 HydrophobicContact CB-CG1 4.11Å; A157-S225 WeakPolarHBondContact CA-OG 3.2Å
158T97.9Very high96.7Very high18 Ų1827.2 Ų27.211%0.1113%0.127CC..EExtended strand (participates in β ladder)trans-83133162.3-61.50000108.6P188 Y218 T223 D224 S225T158-P188 HydrophobicContact CG2-CB 3.45Å; T158-P188 VanDerWaalsContact CG2-CB 3.45Å; T158-P188 HydrophobicContact CG2-CG 4.19Å; T158-Y218 WeakPolarHBondContact CB-O 3.48Å; T158-Y218 HydrophobicContact CG2-CD1 4.22Å; T158-Y218 PolarHBondContact O-N 2.75Å; T158-T223 HydrophobicContact CG2-CG2 4.25Å; T158-D224 PolarHBondContact OG1-O 3.33Å; T158-S225 PolarHBondContact N-OG 2.81Å
159V96.9Very high96.9Very high0 Ų026.5 Ų26.50%012%0.122CC..EExtended strand (participates in β ladder)trans-112.3121.5-177.1-1770000110.3A162 L164 Q180 F182 P188 A189 L191 G216V159-A162 WeakPolarHBondContact CG1-O 3.28Å; V159-L164 HydrophobicContact CB-CB 4.4Å; V159-L164 HydrophobicContact CG1-CB 3.84Å; V159-L164 HydrophobicContact CG2-CB 3.74Å; V159-L164 HydrophobicContact CG2-CD2 3.78Å; V159-L164 HydrophobicContact CG2-CG 4.4Å; V159-Q180 HydrophobicContact CB-CG 4.32Å; V159-Q180 HydrophobicContact CG1-CG 4.3Å; V159-Q180 HydrophobicContact CG2-CB 4.1Å; V159-Q180 HydrophobicContact CG2-CG 4.03Å; V159-F182 HydrophobicContact CG1-CB 4.21Å; V159-P188 CarbonylContact O-C 3.55Å; V159-P188 VanDerWaalsContact O-CA 3.31Å; V159-P188 WeakPolarHBondContact O-CA 3.4Å; V159-A189 HydrophobicContact CB-CB 4.33Å; V159-A189 PolarHBondContact N-O 2.82Å; V159-A189 PolarHBondContact O-N 2.83Å; V159-L191 HydrophobicContact CG2-CB 3.75Å; V159-G216 CarbonylContact C-O 3.51Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 3.5Å
160Y95.1Very high97Very high56 Ų5629 Ų2922%0.2213%0.133CC..EExtended strand (participates in β ladder)trans-152.5152.8-178.9-165.2-130.3000112.8A162 F182 P186 P188 G216 Y218Y160-A162 PolarHBondContact O-N 3.2Å; Y160-F182 AromaticContact CD2-CE2 3.8Å; Y160-F182 HydrophobicContact CD2-CE2 3.8Å; Y160-F182 AromaticContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CE2-CE2 4.4Å; Y160-F182 AromaticContact CE2-CZ 3.96Å; Y160-F182 HydrophobicContact CE2-CZ 3.96Å; Y160-P186 PolarHBondContact OH-O 3.07Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.93Å; Y160-P188 HydrophobicContact CE2-CG 4.43Å; Y160-P188 HydrophobicContact CG-CB 4.32Å; Y160-P188 HydrophobicContact CG-CG 4.01Å; Y160-G216 PolarHBondContact N-O 2.88Å; Y160-Y218 HydrophobicContact CD1-CD1 4.18Å; Y160-Y218 HydrophobicContact CD1-CD2 4.24Å; Y160-Y218 AromaticContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE2 4.06Å; Y160-Y218 HydrophobicContact CD1-CG 4.3Å; Y160-Y218 AromaticContact CD1-CZ 3.93Å; Y160-Y218 HydrophobicContact CG-CD1 4.44Å
161R91.9Very high97Very high192 Ų19232.2 Ų32.273%0.72515%0.15SC*.EExtended strand (participates in β ladder)trans66.2-30.2-179.6-58.1176.7173-97-2.8115.9
162A93.6Very high96.8Very high31 Ų3134.5 Ų34.526%0.25617%0.173SC..EExtended strand (participates in β ladder)trans-144.1165.9174.400000110.2V159 Y160 F182 G216V159-A162 WeakPolarHBondContact CG1-O 3.28Å; Y160-A162 PolarHBondContact O-N 3.2Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 VanDerWaalsContact O-CB 3.24Å; A162-F182 WeakPolarHBondContact O-CB 3.26Å; A162-G216 WeakPolarHBondContact O-CA 3.13Å
163S96.3Very high96.7Very high15 Ų1537.7 Ų37.711%0.10519%0.191CC..EExtended strand (participates in β ladder)trans-64.1154.7168-62.40000109.7Q180 F182 Y214 I215 G216S163-Q180 WeakPolarHBondContact CA-O 3.23Å; S163-Q180 WeakPolarHBondContact CB-O 3.49Å; S163-F182 PolarHBondContact OG-N 2.73Å; S163-Y214 CarbonylContact O-C 3.53Å; S163-Y214 WeakPolarHBondContact O-CA 3.49Å; S163-I215 PolarHBondContact O-N 2.94Å; S163-G216 WeakPolarHBondContact O-CA 3.44Å; S163-G216 PolarHBondContact O-N 3.05Å
164L96.5Very high96.5Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-118.4130.8177.5177.859000110A157 V159 F166 F179 Q180 L191 Y214 I217A157-L164 HydrophobicContact CB-CD2 3.55Å; V159-L164 HydrophobicContact CB-CB 4.4Å; V159-L164 HydrophobicContact CG1-CB 3.84Å; V159-L164 HydrophobicContact CG2-CB 3.74Å; V159-L164 HydrophobicContact CG2-CD2 3.78Å; V159-L164 HydrophobicContact CG2-CG 4.4Å; L164-F166 HydrophobicContact CD2-CD1 4.12Å; L164-F166 HydrophobicContact CG-CD1 4.2Å; L164-F179 CarbonylContact O-C 3.46Å; L164-F179 WeakPolarHBondContact O-CA 3.36Å; L164-F179 WeakPolarHBondContact O-CD2 3.5Å; L164-Q180 PolarHBondContact N-O 3.44Å; L164-Q180 PolarHBondContact O-N 2.89Å; L164-L191 HydrophobicContact CB-CD2 4.3Å; L164-L191 HydrophobicContact CD2-CB 4.47Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 3.98Å; L164-Y214 WeakPolarHBondContact CA-O 3.36Å; L164-I217 HydrophobicContact CD1-CB 3.75Å; L164-I217 HydrophobicContact CD1-CG2 4.49Å; L164-I217 HydrophobicContact CD2-CB 3.83Å; L164-I217 HydrophobicContact CD2-CG1 4.09Å; L164-I217 HydrophobicContact CG-CB 4.43Å
165Q96.3Very high96.5Very high17 Ų1742.7 Ų42.78%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-125.8135.6164.9-166.9-77.8-33.100107.7D167 F178 F179 V209 V211 Y214Q165-D167 PolarHBondContact NE2-OD1 3.02Å; Q165-F178 VanDerWaalsContact CA-O 3.27Å; Q165-F178 WeakPolarHBondContact CA-O 3.25Å; Q165-F178 WeakPolarHBondContact CG-O 3.49Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.36Å; Q165-V209 WeakPolarHBondContact O-CG1 3.26Å; Q165-V211 HydrophobicContact CG-CG2 4.38Å; Q165-Y214 HydrophobicContact CB-CD2 3.82Å; Q165-Y214 HydrophobicContact CB-CG 4.17Å; Q165-Y214 HydrophobicContact CG-CD2 4.49Å; Q165-Y214 PolarHBondContact N-O 3.04Å
166F96.3Very high96.4Very high1 Ų143.9 Ų43.90%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-144.8153.8169.369.3-99.4000111V155 L164 F178 L191 V207 Q208V155-F166 HydrophobicContact CB-CE1 4.38Å; V155-F166 HydrophobicContact CB-CE2 3.77Å; V155-F166 HydrophobicContact CB-CZ 3.6Å; V155-F166 HydrophobicContact CG1-CE1 3.93Å; V155-F166 HydrophobicContact CG1-CE2 4.04Å; V155-F166 HydrophobicContact CG1-CZ 3.66Å; V155-F166 HydrophobicContact CG2-CE2 3.9Å; V155-F166 HydrophobicContact CG2-CZ 4.26Å; L164-F166 HydrophobicContact CD2-CD1 4.12Å; L164-F166 HydrophobicContact CG-CD1 4.2Å; F166-F178 AromaticContact CD2-CD2 4Å; F166-F178 HydrophobicContact CD2-CD2 4Å; F166-F178 HydrophobicContact CE1-CB 4.13Å; F166-F178 HydrophobicContact CE2-CB 4.1Å; F166-F178 AromaticContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CE2 4.1Å; F166-F178 HydrophobicContact CE2-CG 4.02Å; F166-F178 HydrophobicContact CZ-CB 3.85Å; F166-F178 AromaticContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CG 4.02Å; F166-F178 PolarHBondContact N-O 2.88Å; F166-F178 PolarHBondContact O-N 2.97Å; F166-L191 HydrophobicContact CD1-CD2 3.76Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.49Å; F166-L191 VanDerWaalsContact CE1-CD2 3.49Å; F166-L191 HydrophobicContact CE1-CG 3.74Å; F166-L191 HydrophobicContact CZ-CG 4.5Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.83Å; F166-V207 HydrophobicContact CG-CG1 4Å; F166-Q208 CarbonylContact C-O 3.54Å; F166-Q208 WeakPolarHBondContact CA-O 2.98Å; F166-Q208 WeakPolarHBondContact CB-O 3.41Å
167D96.9Very high96.3Very high18 Ų1842.9 Ų42.910%0.09624%0.235CC..EExtended strand (participates in β ladder)trans-108.3138.2171.9-61.2-27.4000109.3Q165 V169 A176 S177 V207 Q208Q165-D167 PolarHBondContact NE2-OD1 3.02Å; D167-V169 HydrophobicContact CB-CG2 3.79Å; D167-A176 WeakPolarHBondContact CA-O 3.43Å; D167-S177 WeakPolarHBondContact OD1-CA 3.26Å; D167-S177 WeakPolarHBondContact OD1-CB 3.35Å; D167-S177 PolarHBondContact OD1-OG 2.8Å; D167-V207 WeakPolarHBondContact O-CA 3.23Å; D167-Q208 HydrophobicContact CB-CG 4.27Å; D167-Q208 PolarHBondContact N-O 2.87Å; D167-Q208 PolarHBondContact O-N 2.96Å; D167-Q208 VanDerWaalsContact O-N 3.08Å
168L97.9Very high96.3Very high0 Ų044.8 Ų44.80%024%0.242CC..EExtended strand (participates in β ladder)trans-82.5124155.6-84.2172.1000107.5F153 V155 I175 A176 F178 A195 V207 F227F153-L168 HydrophobicContact CB-CD1 4.15Å; F153-L168 HydrophobicContact CB-CD2 4.14Å; V155-L168 HydrophobicContact CG2-CD2 4.12Å; L168-I175 HydrophobicContact CB-CB 4.4Å; L168-I175 HydrophobicContact CB-CD1 4.34Å; L168-I175 WeakPolarHBondContact O-CB 3.43Å; L168-I175 PolarHBondContact O-N 3.23Å; L168-A176 PolarHBondContact N-O 2.88Å; L168-F178 HydrophobicContact CD1-CE2 4.11Å; L168-F178 HydrophobicContact CG-CE2 4.42Å; L168-A195 HydrophobicContact CD1-CB 4.36Å; L168-V207 HydrophobicContact CD2-CG2 4.05Å; L168-F227 HydrophobicContact CD2-CE2 3.77Å; L168-F227 HydrophobicContact CD2-CZ 4.29Å
169V97.6Very high96.3Very high0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-120.3135.5-168.8-178.40000109.9D167 G172 E173 V205 W206 Q208D167-V169 HydrophobicContact CB-CG2 3.79Å; V169-G172 VanDerWaalsContact CG1-C 3.46Å; V169-G172 VanDerWaalsContact CG1-CA 3.48Å; V169-E173 CarbonylContact C-O 3.56Å; V169-E173 VanDerWaalsContact CA-O 3.31Å; V169-E173 WeakPolarHBondContact CA-O 3.5Å; V169-E173 WeakPolarHBondContact CG1-O 3.26Å; V169-V205 WeakPolarHBondContact O-CA 3.33Å; V169-V205 WeakPolarHBondContact O-CG1 3.43Å; V169-W206 HydrophobicContact CB-CD2 4.14Å; V169-W206 HydrophobicContact CB-CG 4.42Å; V169-W206 HydrophobicContact CB-CZ2 4.22Å; V169-W206 HydrophobicContact CG1-CD2 4.21Å; V169-W206 HydrophobicContact CG1-CH2 3.94Å; V169-W206 HydrophobicContact CG1-CZ2 3.44Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.44Å; V169-W206 HydrophobicContact CG1-CZ3 4.45Å; V169-W206 PolarHBondContact N-O 2.64Å; V169-W206 PolarHBondContact O-N 2.94Å; V169-W206 VanDerWaalsContact O-N 3.07Å; V169-Q208 VanDerWaalsContact CG2-CD 3.45Å; V169-Q208 HydrophobicContact CG2-CG 3.6Å
170K98.1Very high96.3Very high51 Ų5151.6 Ų51.622%0.22227%0.271CS..EExtended strand (participates in β ladder)trans-113.3120.5167.9178.9-177.6177.8175.40108.5G172 E173 I175 V197 R198 L199 D203 Q204K170-G172 PolarHBondContact O-N 2.95Å; K170-E173 PolarHBondContact N-O 2.83Å; K170-E173 PolarHBondContact O-N 2.83Å; K170-I175 HydrophobicContact CB-CD1 3.88Å; K170-I175 HydrophobicContact CB-CG1 3.78Å; K170-V197 HydrophobicContact CD-CG2 3.91Å; K170-R198 PolarHBondContact NZ-O 3.03Å; K170-L199 HydrophobicContact CD-CD2 3.83Å; K170-L199 HydrophobicContact CG-CD2 4.17Å; K170-D203 VanDerWaalsContact CE-CG 3.4Å; K170-D203 WeakPolarHBondContact CE-OD2 3.34Å; K170-D203 IonicContact NZ-OD2 3.19Å; K170-D203 PolarHBondContact NZ-OD2 2.75Å; K170-Q204 WeakPolarHBondContact CA-O 3.24Å
171N96.9Very high96.4Very high84 Ų8454.5 Ų54.545%0.44929%0.285SS..THydrogen-bonded Turntrans50.329.1175-60-21.5000114.9D203 Q204N171-D203 PolarHBondContact ND2-OD1 3.03Å; N171-Q204 PolarHBondContact N-O 2.82Å; N171-Q204 PolarHBondContact OD1-N 3.37Å; N171-Q204 PolarHBondContact OD1-O 2.78Å
172G93.9Very high96.6Very high47 Ų4746.3 Ų46.349%0.48526%0.255SS..THydrogen-bonded Turntrans96.9-10.9-179.200000114.8V169 K170V169-G172 VanDerWaalsContact CG1-C 3.46Å; V169-G172 VanDerWaalsContact CG1-CA 3.48Å; K170-G172 PolarHBondContact O-N 2.95Å
173E95.5Very high96.7Very high154 Ų15446.6 Ų46.672%0.7226%0.261SS*.EExtended strand (participates in β ladder)trans-98.5136.5176.5-63.5-172.3155.300111.6V169 K170 I175V169-E173 CarbonylContact C-O 3.56Å; V169-E173 VanDerWaalsContact CA-O 3.31Å; V169-E173 WeakPolarHBondContact CA-O 3.5Å; V169-E173 WeakPolarHBondContact CG1-O 3.26Å; K170-E173 PolarHBondContact N-O 2.83Å; K170-E173 PolarHBondContact O-N 2.83Å; E173-I175 PolarHBondContact O-N 2.83Å
174S96Very high96.6Very high59 Ų5948.9 Ų48.941%0.41329%0.286SS..EExtended strand (participates in β ladder)trans-69.8121.7177.1-176.20000110.6S177S174-S177 PolarHBondContact OG-OG 2.95Å
175I97.3Very high96.5Very high54 Ų5454.4 Ų54.428%0.27731%0.308SS..EExtended strand (participates in β ladder)trans-74.1-49.8169.6-53.6166.5000108.9L168 K170 E173 A195 V197 V205L168-I175 HydrophobicContact CB-CB 4.4Å; L168-I175 HydrophobicContact CB-CD1 4.34Å; L168-I175 WeakPolarHBondContact O-CB 3.43Å; L168-I175 PolarHBondContact O-N 3.23Å; K170-I175 HydrophobicContact CB-CD1 3.88Å; K170-I175 HydrophobicContact CB-CG1 3.78Å; E173-I175 PolarHBondContact O-N 2.83Å; I175-A195 HydrophobicContact CG2-CB 3.92Å; I175-V197 HydrophobicContact CD1-CB 4.19Å; I175-V197 HydrophobicContact CD1-CG1 4.01Å; I175-V197 HydrophobicContact CD1-CG2 4.22Å; I175-V197 HydrophobicContact CG1-CG2 4.49Å; I175-V197 HydrophobicContact CG2-CB 4.46Å; I175-V205 HydrophobicContact CD1-CG1 4.36Å
176A97.4Very high96.4Very high26 Ų2659.1 Ų59.122%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-159.5144.1-177.900000110.4D167 L168 F178 A195D167-A176 WeakPolarHBondContact CA-O 3.43Å; L168-A176 PolarHBondContact N-O 2.88Å; A176-F178 HydrophobicContact CB-CE2 3.76Å; A176-F178 HydrophobicContact CB-CZ 3.71Å; A176-A195 HydrophobicContact CB-CB 4.33Å
177S97.1Very high96.3Very high74 Ų7466.8 Ų66.852%0.51737%0.373SS..EExtended strand (participates in β ladder)trans-113.4139.1-178.3-61.40000110.9D167 S174D167-S177 WeakPolarHBondContact OD1-CA 3.26Å; D167-S177 WeakPolarHBondContact OD1-CB 3.35Å; D167-S177 PolarHBondContact OD1-OG 2.8Å; S174-S177 PolarHBondContact OG-OG 2.95Å
178F97.8Very high96.3Very high43 Ų4368.6 Ų68.619%0.18939%0.385CS..EExtended strand (participates in β ladder)trans-130145.9-177.5-55.2-85.3000110.5Q165 F166 L168 A176 L191 G193 G194Q165-F178 VanDerWaalsContact CA-O 3.27Å; Q165-F178 WeakPolarHBondContact CA-O 3.25Å; Q165-F178 WeakPolarHBondContact CG-O 3.49Å; F166-F178 AromaticContact CD2-CD2 4Å; F166-F178 HydrophobicContact CD2-CD2 4Å; F166-F178 HydrophobicContact CE1-CB 4.13Å; F166-F178 HydrophobicContact CE2-CB 4.1Å; F166-F178 AromaticContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CE2 4.1Å; F166-F178 HydrophobicContact CE2-CG 4.02Å; F166-F178 HydrophobicContact CZ-CB 3.85Å; F166-F178 AromaticContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CG 4.02Å; F166-F178 PolarHBondContact N-O 2.88Å; F166-F178 PolarHBondContact O-N 2.97Å; L168-F178 HydrophobicContact CD1-CE2 4.11Å; L168-F178 HydrophobicContact CG-CE2 4.42Å; A176-F178 HydrophobicContact CB-CE2 3.76Å; A176-F178 HydrophobicContact CB-CZ 3.71Å; F178-L191 HydrophobicContact CB-CD1 4.18Å; F178-L191 HydrophobicContact CB-CD2 4.25Å; F178-L191 HydrophobicContact CB-CG 4.44Å; F178-G193 VanDerWaalsContact CD1-CA 3.42Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å
179F97.4Very high96.3Very high101 Ų10169.9 Ų69.944%0.44340%0.396SS..EExtended strand (participates in β ladder)trans-141.8140.6-177.4175.7-99.5000112L164 Q165 F181 Y214L164-F179 CarbonylContact O-C 3.46Å; L164-F179 WeakPolarHBondContact O-CA 3.36Å; L164-F179 WeakPolarHBondContact O-CD2 3.5Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.36Å; F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F179-Y214 HydrophobicContact CD2-CD2 4.18Å; F179-Y214 HydrophobicContact CD2-CE2 4.48Å; F179-Y214 HydrophobicContact CE2-CD1 4.41Å; F179-Y214 AromaticContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CE1 4.49Å; F179-Y214 AromaticContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CG 4.11Å
180Q97.4Very high96.3Very high60 Ų6073.9 Ų73.928%0.2842%0.424SS..EExtended strand (participates in β ladder)trans-134.4123.5169.317661.259.700109.9V159 S163 L164 S190 L191V159-Q180 HydrophobicContact CB-CG 4.32Å; V159-Q180 HydrophobicContact CG1-CG 4.3Å; V159-Q180 HydrophobicContact CG2-CB 4.1Å; V159-Q180 HydrophobicContact CG2-CG 4.03Å; S163-Q180 WeakPolarHBondContact CA-O 3.23Å; S163-Q180 WeakPolarHBondContact CB-O 3.49Å; L164-Q180 PolarHBondContact N-O 3.44Å; L164-Q180 PolarHBondContact O-N 2.89Å; Q180-S190 PolarHBondContact OE1-O 3.03Å; Q180-L191 HydrophobicContact CB-CB 3.73Å; Q180-L191 HydrophobicContact CB-CD1 3.99Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.09Å; Q180-L191 HydrophobicContact CG-CB 4.43Å
181F96.8Very high96.3Very high117 Ų11772.1 Ų72.151%0.51342%0.417SS..  trans-71136.4171.8175.5-109.8000111.2F179 G183 W185F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F181-G183 VanDerWaalsContact CE1-CA 3.41Å; F181-W185 HydrophobicContact CD1-CH2 4.03Å; F181-W185 HydrophobicContact CD1-CZ2 4.47Å; F181-W185 HydrophobicContact CE1-CH2 4.42Å; F181-W185 HydrophobicContact CE1-CZ2 4.49Å; F181-W185 WeakPolarHBondContact O-CH2 3.37Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.21Å
182F96.4Very high96.4Very high21 Ų2171.3 Ų71.39%0.09242%0.418CS..  trans-114.4109.6170.7-176.6-104.5000111.1V159 Y160 A162 S163 G184 W185V159-F182 HydrophobicContact CG1-CB 4.21Å; Y160-F182 AromaticContact CD2-CE2 3.8Å; Y160-F182 HydrophobicContact CD2-CE2 3.8Å; Y160-F182 AromaticContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CE2-CE2 4.4Å; Y160-F182 AromaticContact CE2-CZ 3.96Å; Y160-F182 HydrophobicContact CE2-CZ 3.96Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 VanDerWaalsContact O-CB 3.24Å; A162-F182 WeakPolarHBondContact O-CB 3.26Å; S163-F182 PolarHBondContact OG-N 2.73Å; F182-G184 PolarHBondContact O-N 2.72Å; F182-G184 VanDerWaalsContact O-N 3.16Å; F182-W185 AromaticContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CZ3 4.05Å; F182-W185 HydrophobicContact CE2-CB 4.32Å; F182-W185 AromaticContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CG-CE3 4.38Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.2Å
183G94.8Very high96.6Very high37 Ų3769.5 Ų69.538%0.38140%0.399SS..  trans-83.223.7-175.300000115.6F181 W185F181-G183 VanDerWaalsContact CE1-CA 3.41Å; G183-W185 VanDerWaalsContact C-N 3.33Å; G183-W185 VanDerWaalsContact N-CH2 3.34Å; G183-W185 PolarHBondContact O-N 2.88Å
184G94.3Very high96.7Very high62 Ų6263.6 Ų63.664%0.63938%0.379SS*.  trans71.625.8-177.100000114F182F182-G184 PolarHBondContact O-N 2.72Å; F182-G184 VanDerWaalsContact O-N 3.16Å
185W94.5Very high96.8Very high117 Ų11761.8 Ų61.844%0.44337%0.368SS..  trans-65.7152.4-178.6-57.8-63.3000112.4F181 F182 G183 K187 A189F181-W185 HydrophobicContact CD1-CH2 4.03Å; F181-W185 HydrophobicContact CD1-CZ2 4.47Å; F181-W185 HydrophobicContact CE1-CH2 4.42Å; F181-W185 HydrophobicContact CE1-CZ2 4.49Å; F181-W185 WeakPolarHBondContact O-CH2 3.37Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.21Å; F182-W185 AromaticContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CZ3 4.05Å; F182-W185 HydrophobicContact CE2-CB 4.32Å; F182-W185 AromaticContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CG-CE3 4.38Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.2Å; G183-W185 VanDerWaalsContact C-N 3.33Å; G183-W185 VanDerWaalsContact N-CH2 3.34Å; G183-W185 PolarHBondContact O-N 2.88Å; W185-K187 PolarHBondContact O-N 2.88Å; W185-A189 HydrophobicContact CE3-CB 4.38Å; W185-A189 HydrophobicContact CZ3-CB 4.16Å
186P94.8Very high96.9Very high115 Ų11564.3 Ų64.375%0.74738%0.38SS*.SBendtrans-66.8-20.3178.826.9-35.3000113Y160Y160-P186 PolarHBondContact OH-O 3.07Å
187K94.5Very high96.9Very high163 Ų16364 Ų6471%0.70938%0.376SS*.SBendtrans-120.8156.2-177.2-65.2-174.4-179.4-178.50111.7W185W185-K187 PolarHBondContact O-N 2.88Å
188P96.3Very high97Very high55 Ų5567 Ų6736%0.35738%0.376SS..  trans-63.4151.5176.5-20.532.8000113.7T158 V159 Y160T158-P188 HydrophobicContact CG2-CB 3.45Å; T158-P188 VanDerWaalsContact CG2-CB 3.45Å; T158-P188 HydrophobicContact CG2-CG 4.19Å; V159-P188 CarbonylContact O-C 3.55Å; V159-P188 VanDerWaalsContact O-CA 3.31Å; V159-P188 WeakPolarHBondContact O-CA 3.4Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.93Å; Y160-P188 HydrophobicContact CE2-CG 4.43Å; Y160-P188 HydrophobicContact CG-CB 4.32Å; Y160-P188 HydrophobicContact CG-CG 4.01Å
189A97.3Very high97Very high27 Ų2765 Ų6522%0.22337%0.367CS..EExtended strand (participates in β ladder)trans-103.4-173.2166.400000110.3V159 W185V159-A189 HydrophobicContact CB-CB 4.33Å; V159-A189 PolarHBondContact N-O 2.82Å; V159-A189 PolarHBondContact O-N 2.83Å; W185-A189 HydrophobicContact CE3-CB 4.38Å; W185-A189 HydrophobicContact CZ3-CB 4.16Å
190S98.1Very high96.9Very high84 Ų8464 Ų6459%0.58736%0.363SS*.EExtended strand (participates in β ladder)trans-132.8146.2-179.659.30000111.7A157 Q180A157-S190 CarbonylContact O-C 3.53Å; A157-S190 WeakPolarHBondContact O-CA 3.19Å; Q180-S190 PolarHBondContact OE1-O 3.03Å
191L98.3Very high96.8Very high15 Ų1564.1 Ų64.18%0.07937%0.37CS..EExtended strand (participates in β ladder)trans-132.5132.5169.1177.755.3000108.5A157 V159 L164 F166 F178 Q180A157-L191 PolarHBondContact N-O 2.86Å; A157-L191 PolarHBondContact O-N 2.97Å; V159-L191 HydrophobicContact CG2-CB 3.75Å; L164-L191 HydrophobicContact CB-CD2 4.3Å; L164-L191 HydrophobicContact CD2-CB 4.47Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 3.98Å; F166-L191 HydrophobicContact CD1-CD2 3.76Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.49Å; F166-L191 VanDerWaalsContact CE1-CD2 3.49Å; F166-L191 HydrophobicContact CE1-CG 3.74Å; F166-L191 HydrophobicContact CZ-CG 4.5Å; F178-L191 HydrophobicContact CB-CD1 4.18Å; F178-L191 HydrophobicContact CB-CD2 4.25Å; F178-L191 HydrophobicContact CB-CG 4.44Å; Q180-L191 HydrophobicContact CB-CB 3.73Å; Q180-L191 HydrophobicContact CB-CD1 3.99Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.09Å; Q180-L191 HydrophobicContact CG-CB 4.43Å
192S98.6Very high96.8Very high67 Ų6764.5 Ų64.547%0.46937%0.373SS..EExtended strand (participates in β ladder)trans-124.8144.2170.8-61.20000109.9V155 H156V155-S192 CarbonylContact O-C 3.58Å; V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.45Å; H156-S192 WeakPolarHBondContact ND1-CB 3.49Å; H156-S192 PolarHBondContact ND1-OG 2.82Å
193G98.1Very high96.9Very high9 Ų964.6 Ų64.69%0.09337%0.374CS..EExtended strand (participates in β ladder)trans-149.3145.7177.700000110A154 V155 F178A154-G193 CarbonylContact C-O 3.39Å; A154-G193 WeakPolarHBondContact CA-O 3.38Å; V155-G193 PolarHBondContact N-O 3.38Å; V155-G193 PolarHBondContact O-N 3.38Å; F178-G193 VanDerWaalsContact CD1-CA 3.42Å
194G98.1Very high97.1Very high29 Ų2965.6 Ų65.630%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-163.1153177.600000111.5F153 F178F153-G194 CarbonylContact O-C 3.53Å; F153-G194 WeakPolarHBondContact O-CA 3.42Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å
195A98.5Very high97.3Very high21 Ų2162.7 Ų62.717%0.17434%0.339CS..EExtended strand (participates in β ladder)trans-150.8154.8-179.300000110.1F153 L168 I175 A176F153-A195 PolarHBondContact N-O 2.88Å; F153-A195 PolarHBondContact O-N 2.79Å; L168-A195 HydrophobicContact CD1-CB 4.36Å; I175-A195 HydrophobicContact CG2-CB 3.92Å; A176-A195 HydrophobicContact CB-CB 4.33Å
196M98.4Very high97.5Very high107 Ų10758.1 Ų58.153%0.52732%0.321SS..EExtended strand (participates in β ladder)trans-96.3140.5166.7-64.9179.670.800109.1V150 Y151 Y152 V232V150-M196 HydrophobicContact CG1-CB 4.3Å; V150-M196 HydrophobicContact CG1-CE 3.59Å; Y151-M196 CarbonylContact O-C 3.54Å; Y151-M196 WeakPolarHBondContact O-CA 3.19Å; Y152-M196 HydrophobicContact CD2-CG 3.71Å; Y152-M196 HydrophobicContact CG-CG 4.46Å; M196-V232 HydrophobicContact CE-CB 4.42Å; M196-V232 HydrophobicContact CE-CG1 4.31Å; M196-V232 HydrophobicContact CE-CG2 4.11Å
197V98.4Very high97.6Very high21 Ų2152.6 Ų52.613%0.12729%0.286CS..EExtended strand (participates in β ladder)trans-146.3141.4178.964.90000109.9Y151 F153 K170 I175 L199Y151-V197 PolarHBondContact N-O 2.87Å; Y151-V197 PolarHBondContact O-N 3.44Å; F153-V197 HydrophobicContact CD2-CG1 3.84Å; F153-V197 HydrophobicContact CE2-CG1 3.66Å; K170-V197 HydrophobicContact CD-CG2 3.91Å; I175-V197 HydrophobicContact CD1-CB 4.19Å; I175-V197 HydrophobicContact CD1-CG1 4.01Å; I175-V197 HydrophobicContact CD1-CG2 4.22Å; I175-V197 HydrophobicContact CG1-CG2 4.49Å; I175-V197 HydrophobicContact CG2-CB 4.46Å; V197-L199 HydrophobicContact CG1-CD2 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.17Å; V197-L199 HydrophobicContact CG2-CD2 4.25Å
198R97.6Very high97.6Very high137 Ų13746.7 Ų46.752%0.51726%0.261SS..EExtended strand (participates in β ladder)trans-80.7130.8170.9-178.3177.5171135.50.5109.7G149 V150 K170 E200 D235G149-R198 WeakPolarHBondContact O-CA 3.38Å; V150-R198 HydrophobicContact CG2-CB 4.21Å; V150-R198 HydrophobicContact CG2-CG 4.49Å; K170-R198 PolarHBondContact NZ-O 3.03Å; R198-E200 IonicContact CZ-OE1 3.04Å; R198-E200 IonicContact NE-OE1 3.59Å; R198-E200 PolarHBondContact NE-OE1 2.97Å; R198-E200 IonicContact NH2-OE1 3.36Å; R198-E200 PolarHBondContact NH2-OE1 2.81Å; R198-D235 IonicContact CZ-OD2 2.98Å; R198-D235 IonicContact NE-OD2 2.76Å; R198-D235 PolarHBondContact NE-OD2 2.88Å; R198-D235 IonicContact NH1-OD2 3.06Å; R198-D235 PolarHBondContact NH1-OD2 2.82Å; R198-D235 IonicContact NH2-OD2 3.33Å; R198-D235 PolarHBondContact NH2-OD2 3.04Å
199L97.6Very high97.4Very high0 Ų044.1 Ų44.10%024%0.244CC..EExtended strand (participates in β ladder)trans-122.8140.7177.8-56.6-178.5000110.5F143 C145 P148 G149 Y151 F153 K170 V197 D203 V205F143-L199 HydrophobicContact CD1-CD1 4.18Å; F143-L199 HydrophobicContact CE1-CD1 3.73Å; C145-L199 HydrophobicContact CB-CB 3.92Å; C145-L199 HydrophobicContact CB-CD1 4.09Å; C145-L199 VanDerWaalsContact SG-CB 3.55Å; P148-L199 WeakPolarHBondContact CA-O 3.47Å; G149-L199 PolarHBondContact N-O 3.36Å; G149-L199 PolarHBondContact O-N 2.81Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.85Å; Y151-L199 HydrophobicContact CD2-CD1 3.62Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.98Å; Y151-L199 HydrophobicContact CE2-CD1 4.08Å; Y151-L199 HydrophobicContact CE2-CG 4.36Å; Y151-L199 HydrophobicContact CG-CD1 3.8Å; Y151-L199 HydrophobicContact CG-CG 4.33Å; F153-L199 HydrophobicContact CE2-CD1 3.93Å; F153-L199 HydrophobicContact CZ-CD1 3.87Å; K170-L199 HydrophobicContact CD-CD2 3.83Å; K170-L199 HydrophobicContact CG-CD2 4.17Å; V197-L199 HydrophobicContact CG1-CD2 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.17Å; V197-L199 HydrophobicContact CG2-CD2 4.25Å; L199-D203 WeakPolarHBondContact CA-OD2 3.43Å; L199-D203 HydrophobicContact CB-CB 4.22Å; L199-D203 HydrophobicContact CD2-CB 4.02Å; L199-V205 HydrophobicContact CD1-CG2 3.81Å; L199-V205 HydrophobicContact CD2-CG2 3.64Å; L199-V205 HydrophobicContact CG-CG2 4.39Å
200E96.5Very high96.3Very high79 Ų7944.5 Ų44.537%0.36925%0.25SS..  trans-101163.4166-60.5-62.9157.400108.9C145 R198 D203C145-E200 VanDerWaalsContact CB-O 3.26Å; C145-E200 WeakPolarHBondContact CB-O 3.31Å; C145-E200 PolarHBondContact SG-O 2.91Å; C145-E200 VanDerWaalsContact SG-O 3.32Å; R198-E200 IonicContact CZ-OE1 3.04Å; R198-E200 IonicContact NE-OE1 3.59Å; R198-E200 PolarHBondContact NE-OE1 2.97Å; R198-E200 IonicContact NH2-OE1 3.36Å; R198-E200 PolarHBondContact NH2-OE1 2.81Å; E200-D203 PolarHBondContact N-OD2 3.45Å; E200-D203 VanDerWaalsContact O-CB 3.24Å; E200-D203 WeakPolarHBondContact O-CB 3.35Å; E200-D203 PolarHBondContact O-N 2.92Å; E200-D203 VanDerWaalsContact O-N 3.14Å
201P95.6Very high95.6Very high64 Ų6443.6 Ų43.642%0.41624%0.241SC..THydrogen-bonded Turntrans-54.8143.6176.9-25.736.2000111.7C145 D203C145-P201 WeakPolarHBondContact O-CA 3.31Å; P201-D203 PolarHBondContact O-N 3.08Å
202E96.3Very high94.4Very high124 Ų12444.8 Ų44.858%0.57926%0.257SS*.THydrogen-bonded Turntrans71.6-7.5-174.4-51.6-59.9116.700116C145 Q146 Q204C145-E202 PolarHBondContact O-N 2.89Å; Q146-E202 PolarHBondContact NE2-OE1 3.37Å; Q146-E202 VanDerWaalsContact NE2-OE1 3.13Å; E202-Q204 PolarHBondContact O-N 2.94Å
203D98.4Very high93.7Very high23 Ų2348 Ų4812%0.12327%0.269CS..  trans-59.7135.1169-79-22.9000110.3C145 K170 N171 L199 E200 P201C145-D203 HydrophobicContact CB-CB 4.26Å; C145-D203 WeakPolarHBondContact CB-O 3.31Å; C145-D203 PolarHBondContact N-O 3.34Å; K170-D203 VanDerWaalsContact CE-CG 3.4Å; K170-D203 WeakPolarHBondContact CE-OD2 3.34Å; K170-D203 IonicContact NZ-OD2 3.19Å; K170-D203 PolarHBondContact NZ-OD2 2.75Å; N171-D203 PolarHBondContact ND2-OD1 3.03Å; L199-D203 WeakPolarHBondContact CA-OD2 3.43Å; L199-D203 HydrophobicContact CB-CB 4.22Å; L199-D203 HydrophobicContact CD2-CB 4.02Å; E200-D203 PolarHBondContact N-OD2 3.45Å; E200-D203 VanDerWaalsContact O-CB 3.24Å; E200-D203 WeakPolarHBondContact O-CB 3.35Å; E200-D203 PolarHBondContact O-N 2.92Å; E200-D203 VanDerWaalsContact O-N 3.14Å; P201-D203 PolarHBondContact O-N 3.08Å
204Q98.4Very high93.4Very high59 Ų5951.9 Ų51.928%0.27628%0.281SS..EExtended strand (participates in β ladder)trans-109.7135.4-179.8-66-169.2-26.400111.6F143 T144 K170 N171 E202 W206F143-Q204 CarbonylContact O-C 3.58Å; F143-Q204 VanDerWaalsContact O-CA 3.24Å; F143-Q204 WeakPolarHBondContact O-CA 3.42Å; T144-Q204 HydrophobicContact CG2-CG 4.3Å; T144-Q204 PolarHBondContact OG1-NE2 2.91Å; K170-Q204 WeakPolarHBondContact CA-O 3.24Å; N171-Q204 PolarHBondContact N-O 2.82Å; N171-Q204 PolarHBondContact OD1-N 3.37Å; N171-Q204 PolarHBondContact OD1-O 2.78Å; E202-Q204 PolarHBondContact O-N 2.94Å; Q204-W206 HydrophobicContact CB-CE3 4.12Å; Q204-W206 HydrophobicContact CB-CZ3 3.85Å
205V98.6Very high93.2Very high0 Ų052.6 Ų52.60%028%0.278CS..EExtended strand (participates in β ladder)trans-124.2135174.8-179.50000110.9F143 F153 V169 I175 L199 F227F143-V205 HydrophobicContact CD1-CB 4.41Å; F143-V205 PolarHBondContact N-O 3.36Å; F143-V205 PolarHBondContact O-N 3.06Å; F153-V205 HydrophobicContact CD1-CG1 3.93Å; F153-V205 HydrophobicContact CD2-CG1 4.1Å; F153-V205 HydrophobicContact CE1-CB 3.94Å; F153-V205 HydrophobicContact CE1-CG1 3.73Å; F153-V205 HydrophobicContact CE2-CB 4.19Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.95Å; F153-V205 HydrophobicContact CG-CG1 4.1Å; F153-V205 HydrophobicContact CZ-CB 3.71Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.81Å; V169-V205 WeakPolarHBondContact O-CA 3.33Å; V169-V205 WeakPolarHBondContact O-CG1 3.43Å; I175-V205 HydrophobicContact CD1-CG1 4.36Å; L199-V205 HydrophobicContact CD1-CG2 3.81Å; L199-V205 HydrophobicContact CD2-CG2 3.64Å; L199-V205 HydrophobicContact CG-CG2 4.39Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å
206W98.4Very high93Very high21 Ų2151.8 Ų51.88%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-150.3174.8175.965.392000112.2P122 K142 V169 Q204 Q208P122-W206 HydrophobicContact CB-CB 4.17Å; P122-W206 HydrophobicContact CB-CG 3.92Å; P122-W206 HydrophobicContact CG-CD2 4.31Å; P122-W206 HydrophobicContact CG-CG 4.05Å; K142-W206 HydrophobicContact CD-CE3 4.3Å; K142-W206 HydrophobicContact CG-CB 4.08Å; K142-W206 HydrophobicContact CG-CD2 4.46Å; K142-W206 HydrophobicContact CG-CE3 4.28Å; K142-W206 HydrophobicContact CG-CG 4.42Å; V169-W206 HydrophobicContact CB-CD2 4.14Å; V169-W206 HydrophobicContact CB-CG 4.42Å; V169-W206 HydrophobicContact CB-CZ2 4.22Å; V169-W206 HydrophobicContact CG1-CD2 4.21Å; V169-W206 HydrophobicContact CG1-CH2 3.94Å; V169-W206 HydrophobicContact CG1-CZ2 3.44Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.44Å; V169-W206 HydrophobicContact CG1-CZ3 4.45Å; V169-W206 PolarHBondContact N-O 2.64Å; V169-W206 PolarHBondContact O-N 2.94Å; V169-W206 VanDerWaalsContact O-N 3.07Å; Q204-W206 HydrophobicContact CB-CE3 4.12Å; Q204-W206 HydrophobicContact CB-CZ3 3.85Å; W206-Q208 VanDerWaalsContact NE1-OE1 3.09Å
207V97.6Very high92.8Very high0 Ų047.5 Ų47.50%025%0.25CS..EExtended strand (participates in β ladder)trans-104.7134.4171.7-177.20000108.2L123 F125 V155 F166 D167 L168 F227L123-V207 HydrophobicContact CB-CB 4.43Å; L123-V207 VanDerWaalsContact CB-O 3.26Å; L123-V207 WeakPolarHBondContact CB-O 3.35Å; L123-V207 HydrophobicContact CD2-CG1 4.31Å; L123-V207 PolarHBondContact N-O 3.28Å; F125-V207 HydrophobicContact CE2-CB 3.99Å; F125-V207 HydrophobicContact CE2-CG1 4.49Å; F125-V207 HydrophobicContact CE2-CG2 3.98Å; F125-V207 HydrophobicContact CZ-CG2 4.36Å; V155-V207 HydrophobicContact CG2-CG2 3.46Å; V155-V207 VanDerWaalsContact CG2-CG2 3.46Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.83Å; F166-V207 HydrophobicContact CG-CG1 4Å; D167-V207 WeakPolarHBondContact O-CA 3.23Å; L168-V207 HydrophobicContact CD2-CG2 4.05Å; V207-F227 HydrophobicContact CG2-CD1 3.98Å; V207-F227 HydrophobicContact CG2-CD2 3.79Å; V207-F227 HydrophobicContact CG2-CE1 4.06Å; V207-F227 HydrophobicContact CG2-CE2 3.87Å; V207-F227 HydrophobicContact CG2-CG 3.85Å; V207-F227 HydrophobicContact CG2-CZ 4Å
208Q94.7Very high92.7Very high39 Ų3949.3 Ų49.318%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-137.3155.817176.2-170.67.500110.7F166 D167 V169 W206F166-Q208 CarbonylContact C-O 3.54Å; F166-Q208 WeakPolarHBondContact CA-O 2.98Å; F166-Q208 WeakPolarHBondContact CB-O 3.41Å; D167-Q208 HydrophobicContact CB-CG 4.27Å; D167-Q208 PolarHBondContact N-O 2.87Å; D167-Q208 PolarHBondContact O-N 2.96Å; D167-Q208 VanDerWaalsContact O-N 3.08Å; V169-Q208 VanDerWaalsContact CG2-CD 3.45Å; V169-Q208 HydrophobicContact CG2-CG 3.6Å; W206-Q208 VanDerWaalsContact NE1-OE1 3.09Å
209V91.4Very high92.5Very high1 Ų143.2 Ų43.21%0.00623%0.234CC..  trans-84.2118169.5177.90000107.6Q165 V211 I215Q165-V209 WeakPolarHBondContact O-CG1 3.26Å; V209-V211 VanDerWaalsContact CG1-O 3.26Å; V209-V211 WeakPolarHBondContact CG1-O 3.46Å; V209-I215 HydrophobicContact CB-CG2 4.39Å; V209-I215 HydrophobicContact CG1-CG2 3.83Å; V209-I215 HydrophobicContact CG2-CG2 4.36Å
210G75.4Confident92.3Very high34 Ų3444.5 Ų44.535%0.35124%0.243SC..SBendtrans-87-13.4-176.100000114.3
211V82.3Confident92.1Very high65 Ų6547.4 Ų47.439%0.39426%0.26SS..SBendtrans-131.7117.6178.1-175.10000109.8Q165 V209 D213 Y214Q165-V211 HydrophobicContact CG-CG2 4.38Å; V209-V211 VanDerWaalsContact CG1-O 3.26Å; V209-V211 WeakPolarHBondContact CG1-O 3.46Å; V211-D213 VanDerWaalsContact C-N 3.26Å; V211-D213 PolarHBondContact O-N 2.94Å; V211-Y214 HydrophobicContact CB-CD2 3.73Å; V211-Y214 HydrophobicContact CB-CE2 4.3Å; V211-Y214 HydrophobicContact CB-CG 4.43Å; V211-Y214 HydrophobicContact CG1-CD2 3.71Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.39Å; V211-Y214 HydrophobicContact CG2-CD2 4.33Å; V211-Y214 PolarHBondContact O-N 2.78Å
212G74.1Confident92Very high40 Ų4053.4 Ų53.441%0.41228%0.279SS..THydrogen-bonded Turntrans-56.2-27.8-167.200000116.7I215G212-I215 WeakPolarHBondContact O-CG2 3.46Å
213D82.6Confident92Very high135 Ų13549 Ų4972%0.72226%0.261SS*.THydrogen-bonded Turntrans-84.1-14.2179.5-65-34.3000113.5V211 I215V211-D213 VanDerWaalsContact C-N 3.26Å; V211-D213 PolarHBondContact O-N 2.94Å; D213-I215 PolarHBondContact O-N 3.06Å
214Y92.8Very high91.9Very high90 Ų9051.2 Ų51.235%0.35327%0.273SS..  trans-103.253.8-172.3-57.5-29.4000112.6S163 L164 Q165 F179 V211S163-Y214 CarbonylContact O-C 3.53Å; S163-Y214 WeakPolarHBondContact O-CA 3.49Å; L164-Y214 WeakPolarHBondContact CA-O 3.36Å; Q165-Y214 HydrophobicContact CB-CD2 3.82Å; Q165-Y214 HydrophobicContact CB-CG 4.17Å; Q165-Y214 HydrophobicContact CG-CD2 4.49Å; Q165-Y214 PolarHBondContact N-O 3.04Å; F179-Y214 HydrophobicContact CD2-CD2 4.18Å; F179-Y214 HydrophobicContact CD2-CE2 4.48Å; F179-Y214 HydrophobicContact CE2-CD1 4.41Å; F179-Y214 AromaticContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CE1 4.49Å; F179-Y214 AromaticContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CG 4.11Å; V211-Y214 HydrophobicContact CB-CD2 3.73Å; V211-Y214 HydrophobicContact CB-CE2 4.3Å; V211-Y214 HydrophobicContact CB-CG 4.43Å; V211-Y214 HydrophobicContact CG1-CD2 3.71Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.39Å; V211-Y214 HydrophobicContact CG2-CD2 4.33Å; V211-Y214 PolarHBondContact O-N 2.78Å
215I93.5Very high91.9Very high45 Ų4548.4 Ų48.423%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-95.720.9-175.655.6169.7000114P116 P117 S163 V209 G212 D213 I217P116-I215 HydrophobicContact CB-CD1 3.97Å; P117-I215 HydrophobicContact CG-CB 3.71Å; P117-I215 HydrophobicContact CG-CG2 4.16Å; S163-I215 PolarHBondContact O-N 2.94Å; V209-I215 HydrophobicContact CB-CG2 4.39Å; V209-I215 HydrophobicContact CG1-CG2 3.83Å; V209-I215 HydrophobicContact CG2-CG2 4.36Å; G212-I215 WeakPolarHBondContact O-CG2 3.46Å; D213-I215 PolarHBondContact O-N 3.06Å; I215-I217 PolarHBondContact O-N 2.96Å
216G94.3Very high91.9Very high3 Ų349.8 Ų49.83%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-69.517.8-17100000117.2V159 Y160 A162 S163V159-G216 CarbonylContact C-O 3.51Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 3.5Å; Y160-G216 PolarHBondContact N-O 2.88Å; A162-G216 WeakPolarHBondContact O-CA 3.13Å; S163-G216 WeakPolarHBondContact O-CA 3.44Å; S163-G216 PolarHBondContact O-N 3.05Å
217I95.1Very high91.9Very high17 Ų1748.8 Ų48.89%0.08727%0.265CS..EExtended strand (participates in β ladder)trans-70.2136.9177.7-166.2169.1000110.5P117 L123 F125 A157 L164 I215 S225P117-I217 HydrophobicContact CB-CG2 4.3Å; P117-I217 HydrophobicContact CG-CG2 4.04Å; L123-I217 HydrophobicContact CD1-CG2 4.5Å; L123-I217 HydrophobicContact CD2-CD1 3.52Å; L123-I217 HydrophobicContact CD2-CG2 4.07Å; F125-I217 HydrophobicContact CZ-CD1 4.27Å; A157-I217 HydrophobicContact CB-CD1 4.13Å; A157-I217 HydrophobicContact CB-CG1 4.11Å; L164-I217 HydrophobicContact CD1-CB 3.75Å; L164-I217 HydrophobicContact CD1-CG2 4.49Å; L164-I217 HydrophobicContact CD2-CB 3.83Å; L164-I217 HydrophobicContact CD2-CG1 4.09Å; L164-I217 HydrophobicContact CG-CB 4.43Å; I215-I217 PolarHBondContact O-N 2.96Å; I217-S225 WeakPolarHBondContact CG1-OG 3.49Å
218Y94.8Very high92Very high60 Ų6050.2 Ų50.224%0.23527%0.274CS..EExtended strand (participates in β ladder)trans-139.8153.1-168.5-165.4-108.4000113.2T158 Y160 S225T158-Y218 WeakPolarHBondContact CB-O 3.48Å; T158-Y218 HydrophobicContact CG2-CD1 4.22Å; T158-Y218 PolarHBondContact O-N 2.75Å; Y160-Y218 HydrophobicContact CD1-CD1 4.18Å; Y160-Y218 HydrophobicContact CD1-CD2 4.24Å; Y160-Y218 AromaticContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE2 4.06Å; Y160-Y218 HydrophobicContact CD1-CG 4.3Å; Y160-Y218 AromaticContact CD1-CZ 3.93Å; Y160-Y218 HydrophobicContact CG-CD1 4.44Å; Y218-S225 PolarHBondContact O-OG 2.88Å
219A95.3Very high92.2Very high8 Ų848.4 Ų48.47%0.06627%0.266CS..  trans-144.8145.5169.100000109.3R110 T223R110-A219 HydrophobicContact CB-CB 4.26Å; A219-T223 CarbonylContact C-O 3.08Å; A219-T223 WeakPolarHBondContact CA-O 3.29Å
220S93.3Very high92.5Very high28 Ų2852.9 Ų52.920%0.19629%0.286CS..BIsolated β-bridgetrans-148.9176.5177.375.20000110.5K222 T223S220-K222 PolarHBondContact O-N 2.95Å; S220-K222 PolarHBondContact OG-N 2.72Å; S220-T223 WeakPolarHBondContact CB-OG1 3.38Å; S220-T223 PolarHBondContact N-O 3.29Å; S220-T223 PolarHBondContact N-OG1 3.18Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact OG-N 2.54Å; S220-T223 PolarHBondContact OG-OG1 3.32Å
221I91.3Very high93.5Very high140 Ų14052.4 Ų52.472%0.71828%0.275SS*.THydrogen-bonded Turntrans-48.1-29.6173.4-56.8169.8000113.6E112E112-I221 WeakPolarHBondContact OE1-CG1 3.46Å; E112-I221 PolarHBondContact OE1-N 3.19Å; E112-I221 PolarHBondContact OE2-N 2.83Å
222K93.5Very high94.2Very high189 Ų18952.6 Ų52.682%0.82228%0.276SS*.THydrogen-bonded Turntrans-120.22.8-175.8-67.3-64.7-172.4-177.90114.6S220S220-K222 PolarHBondContact O-N 2.95Å; S220-K222 PolarHBondContact OG-N 2.72Å
223T95.9Very high94.9Very high33 Ų3356.7 Ų56.720%0.20228%0.28CS..BIsolated β-bridgetrans-141.6130.4-176.863.10000109.7T158 A219 S220T158-T223 HydrophobicContact CG2-CG2 4.25Å; A219-T223 CarbonylContact C-O 3.08Å; A219-T223 WeakPolarHBondContact CA-O 3.29Å; S220-T223 WeakPolarHBondContact CB-OG1 3.38Å; S220-T223 PolarHBondContact N-O 3.29Å; S220-T223 PolarHBondContact N-OG1 3.18Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact OG-N 2.54Å; S220-T223 PolarHBondContact OG-OG1 3.32Å
224D97.4Very high95.3Very high69 Ų6952.2 Ų52.237%0.36926%0.26SS..  trans-114156.4179.5-64.7-76.7000111K109 T158 T226K109-D224 HydrophobicContact CD-CB 4.42Å; K109-D224 VanDerWaalsContact CD-OD1 3.31Å; K109-D224 WeakPolarHBondContact CD-OD1 3.42Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.82Å; K109-D224 PolarHBondContact NZ-OD1 2.79Å; K109-D224 IonicContact NZ-OD2 3.67Å; T158-D224 PolarHBondContact OG1-O 3.33Å; D224-T226 HydrophobicContact CB-CG2 4.29Å
225S97.9Very high94.9Very high0 Ų049.3 Ų49.30%025%0.25CS..  trans-118.5121.4160.7-69.60000108K109 R110 F125 H156 A157 T158 I217 Y218K109-S225 CarbonylContact C-O 3.59Å; K109-S225 VanDerWaalsContact CA-O 3.25Å; K109-S225 WeakPolarHBondContact CA-O 3.33Å; K109-S225 WeakPolarHBondContact CB-O 3.5Å; R110-S225 PolarHBondContact N-O 3.26Å; F125-S225 WeakPolarHBondContact CD1-O 3.47Å; H156-S225 CarbonylContact O-C 3.58Å; H156-S225 VanDerWaalsContact O-CA 3.24Å; H156-S225 WeakPolarHBondContact O-CA 3.42Å; A157-S225 WeakPolarHBondContact CA-OG 3.2Å; T158-S225 PolarHBondContact N-OG 2.81Å; I217-S225 WeakPolarHBondContact CG1-OG 3.49Å; Y218-S225 PolarHBondContact O-OG 2.88Å
226T98.6Very high93.8Very high29 Ų2955.5 Ų55.518%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-118.7146.9-171.662.60000111.6A108 K109 V155 H156 D224A108-T226 CarbonylContact O-C 3.57Å; A108-T226 VanDerWaalsContact O-CA 3.26Å; A108-T226 WeakPolarHBondContact O-CA 3.35Å; K109-T226 HydrophobicContact CB-CG2 4.01Å; V155-T226 WeakPolarHBondContact CA-O 3.41Å; H156-T226 PolarHBondContact N-O 2.9Å; H156-T226 PolarHBondContact O-N 2.84Å; D224-T226 HydrophobicContact CB-CG2 4.29Å
227F98.7Very high92.1Very high0 Ų062.3 Ų62.30%030%0.302CS..EExtended strand (participates in β ladder)trans-129127.6170.6176.2-143.6000109F106 S107 A108 F125 Y136 F153 V155 L168 V205 V207F106-F227 AromaticContact CE2-CD1 3.66Å; F106-F227 HydrophobicContact CE2-CD1 3.66Å; F106-F227 AromaticContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CG 4.08Å; F106-F227 HydrophobicContact CE2-CZ 4.27Å; F106-F227 AromaticContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD2 4.44Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.12Å; F106-F227 HydrophobicContact CZ-CG 4.36Å; F106-F227 AromaticContact CZ-CZ 3.68Å; F106-F227 HydrophobicContact CZ-CZ 3.68Å; S107-F227 WeakPolarHBondContact CA-O 3.27Å; A108-F227 PolarHBondContact N-O 2.87Å; A108-F227 PolarHBondContact O-N 2.84Å; F125-F227 HydrophobicContact CD1-CB 3.73Å; F125-F227 HydrophobicContact CD2-CB 3.67Å; F125-F227 HydrophobicContact CD2-CD1 4Å; F125-F227 HydrophobicContact CD2-CG 4.26Å; F125-F227 HydrophobicContact CE1-CB 3.71Å; F125-F227 HydrophobicContact CE2-CB 3.67Å; F125-F227 HydrophobicContact CE2-CD1 4.19Å; F125-F227 HydrophobicContact CE2-CG 4.19Å; F125-F227 HydrophobicContact CG-CB 3.73Å; F125-F227 HydrophobicContact CZ-CB 3.69Å; Y136-F227 AromaticContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CE1 4.04Å; F153-F227 HydrophobicContact CB-CE2 4.23Å; F153-F227 AromaticContact CD1-CE2 3.74Å; F153-F227 HydrophobicContact CD1-CE2 3.74Å; F153-F227 AromaticContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CE1-CZ 4.31Å; F153-F227 HydrophobicContact CG-CE2 4.42Å; V155-F227 HydrophobicContact CG2-CD2 3.64Å; V155-F227 HydrophobicContact CG2-CE2 4.23Å; V155-F227 HydrophobicContact CG2-CG 4.37Å; L168-F227 HydrophobicContact CD2-CE2 3.77Å; L168-F227 HydrophobicContact CD2-CZ 4.29Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å; V207-F227 HydrophobicContact CG2-CD1 3.98Å; V207-F227 HydrophobicContact CG2-CD2 3.79Å; V207-F227 HydrophobicContact CG2-CE1 4.06Å; V207-F227 HydrophobicContact CG2-CE2 3.87Å; V207-F227 HydrophobicContact CG2-CG 3.85Å; V207-F227 HydrophobicContact CG2-CZ 4Å
228S98.8Very high90.1Very high29 Ų2967.3 Ų67.320%0.20334%0.338CS..EExtended strand (participates in β ladder)trans-133.7148.8-177.4-55.30000110.1F106 S107 F153 A154F106-S228 WeakPolarHBondContact O-CA 3.49Å; S107-S228 WeakPolarHBondContact CB-OG 3.42Å; S107-S228 PolarHBondContact OG-OG 2.88Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å; A154-S228 PolarHBondContact N-O 2.87Å; A154-S228 PolarHBondContact O-N 2.76Å
229G98.6Very high87.4Confident1 Ų168.4 Ų68.41%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-154.5145.8171.800000111.6A105 F106 Y152A105-G229 CarbonylContact C-O 3.53Å; A105-G229 WeakPolarHBondContact CA-O 3.27Å; F106-G229 WeakPolarHBondContact CD1-O 3.31Å; F106-G229 PolarHBondContact N-O 2.93Å; F106-G229 PolarHBondContact O-N 2.96Å; Y152-G229 CarbonylContact O-C 3.57Å; Y152-G229 WeakPolarHBondContact O-CA 3.48Å
230F98.3Very high84.9Confident95 Ų9573.9 Ų73.942%0.41739%0.389SS..EExtended strand (participates in β ladder)trans-151.4152.8177.660.2-91.1000112.5S104 A105 Y151 Y152 V232S104-F230 CarbonylContact O-C 3.49Å; S104-F230 VanDerWaalsContact O-CA 3.3Å; S104-F230 WeakPolarHBondContact O-CA 3.24Å; A105-F230 HydrophobicContact CB-CB 3.76Å; Y151-F230 VanDerWaalsContact CA-O 3.31Å; Y151-F230 WeakPolarHBondContact CA-O 3.45Å; Y151-F230 VanDerWaalsContact CD1-C 3.5Å; Y152-F230 AromaticContact CD1-CE1 3.63Å; Y152-F230 HydrophobicContact CD1-CE1 3.63Å; Y152-F230 AromaticContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CE1-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CZ 4.33Å; Y152-F230 PolarHBondContact N-O 3.04Å; Y152-F230 PolarHBondContact O-N 3.43Å; F230-V232 HydrophobicContact CD2-CG2 4.27Å; F230-V232 HydrophobicContact CE2-CG2 3.97Å
231L97.3Very high82.6Confident24 Ų2477.6 Ų77.613%0.12641%0.41CS..EExtended strand (participates in β ladder)trans-69.4124.9171.7178.869.3000109.8P102 S104 V147 Y151 Y233P102-L231 HydrophobicContact CB-CD2 4.34Å; P102-L231 HydrophobicContact CG-CD2 4.13Å; P102-L231 WeakPolarHBondContact O-CD2 3.41Å; S104-L231 PolarHBondContact O-N 3.4Å; V147-L231 HydrophobicContact CB-CD2 4.35Å; V147-L231 HydrophobicContact CG1-CD2 3.83Å; Y151-L231 HydrophobicContact CD1-CB 4.18Å; Y151-L231 HydrophobicContact CD2-CD1 4.14Å; Y151-L231 HydrophobicContact CE1-CB 3.71Å; Y151-L231 HydrophobicContact CE1-CD1 4.21Å; Y151-L231 HydrophobicContact CE2-CD1 3.65Å; L231-Y233 VanDerWaalsContact CD1-O 3.25Å; L231-Y233 WeakPolarHBondContact CD1-O 3.37Å
232V95.6Very high80.2Confident70 Ų7080.1 Ų80.142%0.42442%0.417SS..EExtended strand (participates in β ladder)trans-88.9-47.8176.6-175.50000110.2V150 M196 F230V150-V232 WeakPolarHBondContact O-CB 3.25Å; V150-V232 PolarHBondContact O-N 2.96Å; M196-V232 HydrophobicContact CE-CB 4.42Å; M196-V232 HydrophobicContact CE-CG1 4.31Å; M196-V232 HydrophobicContact CE-CG2 4.11Å; F230-V232 HydrophobicContact CD2-CG2 4.27Å; F230-V232 HydrophobicContact CE2-CG2 3.97Å
233Y90Very high77.6Confident125 Ų12579.1 Ų79.149%0.4944%0.443SS..EExtended strand (participates in β ladder)trans-151.5145171.260.6-96.7000110.4G149 V150 L231 D235G149-Y233 WeakPolarHBondContact CA-O 3.2Å; V150-Y233 HydrophobicContact CB-CD1 4.24Å; V150-Y233 HydrophobicContact CB-CD2 4.49Å; V150-Y233 HydrophobicContact CB-CE1 3.71Å; V150-Y233 HydrophobicContact CB-CE2 3.98Å; V150-Y233 HydrophobicContact CG1-CE1 4.21Å; V150-Y233 HydrophobicContact CG2-CE1 4Å; V150-Y233 HydrophobicContact CG2-CE2 3.65Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.41Å; V150-Y233 PolarHBondContact N-O 3.1Å; L231-Y233 VanDerWaalsContact CD1-O 3.25Å; L231-Y233 WeakPolarHBondContact CD1-O 3.37Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.44Å
234S90.3Very high76.7Confident42 Ų4281.4 Ų81.429%0.29446%0.455SS..EExtended strand (participates in β ladder)trans-87142.5176.558.20000111.8P102 P148 W236P102-S234 VanDerWaalsContact CG-CB 3.45Å; P102-S234 WeakPolarHBondContact CG-OG 3.42Å; P148-S234 WeakPolarHBondContact O-CA 3.3Å; S234-W236 VanDerWaalsContact C-N 3.26Å
235D84Confident75.6Confident29 Ų2982.1 Ų82.116%0.15546%0.46CS..  trans-88.48.2172.1-71.9-21.1000112.6P148 R198 Y233 H237P148-D235 PolarHBondContact O-N 2.87Å; R198-D235 IonicContact CZ-OD2 2.98Å; R198-D235 IonicContact NE-OD2 2.76Å; R198-D235 PolarHBondContact NE-OD2 2.88Å; R198-D235 IonicContact NH1-OD2 3.06Å; R198-D235 PolarHBondContact NH1-OD2 2.82Å; R198-D235 IonicContact NH2-OD2 3.33Å; R198-D235 PolarHBondContact NH2-OD2 3.04Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.44Å; D235-H237 VanDerWaalsContact C-N 3.3Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.21Å
236W70.8Confident74.4Confident174 Ų17486.6 Ų86.666%0.65949%0.485SS*.  trans-61.592.6171.3-100.7-5.9000110.1P102 S234 S238P102-W236 HydrophobicContact CB-CE3 4.39Å; P102-W236 HydrophobicContact CB-CZ3 4.34Å; P102-W236 HydrophobicContact CG-CE3 4.35Å; S234-W236 VanDerWaalsContact C-N 3.26Å; W236-S238 PolarHBondContact O-N 3.2Å
237H59.7Low73Confident147 Ų14790 Ų9068%0.68150%0.503SS*.  trans-70.9115.5163.6-70.568.1000106.2D235 S239D235-H237 VanDerWaalsContact C-N 3.3Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.21Å; H237-S239 PolarHBondContact O-N 3.49Å
238S51.6Low71.4Confident121 Ų12195.6 Ų95.685%0.84654%0.535SS*.SBendtrans-58.290.4159.542.40000108W236W236-S238 PolarHBondContact O-N 3.2Å
239S39.6Very low69.6Low84 Ų84100.1 Ų100.159%0.58756%0.557SS**  trans70.2109.5178.6-53.10000116.8H237 V241H237-S239 PolarHBondContact O-N 3.49Å; S239-V241 PolarHBondContact O-N 3.16Å
240P42.6Very low67.5Low123 Ų123107.1 Ų107.180%0.79960%0.596SS**THydrogen-bonded Turntrans-71.820.1170.331.1-35.2000114.1
241V43.9Very low65.1Low105 Ų105108.1 Ų108.164%0.63661%0.61SS**THydrogen-bonded Turntrans-95.9-11.1-172.1-178.10000112.8S239S239-V241 PolarHBondContact O-N 3.16Å
242F41.2Very low62.4Low194 Ų194115.1 Ų115.185%0.85165%0.65SS**  trans-139.971.3178.5-60.1-78.1000111.1
243A39.9Very low59.4Low167 Ų167119.2 Ų119.2100%1.3867%0.671SS**  trans-1370159.800000108.8

Retrieved 243 of 243 residues in 41.6 ms (Link to these results)