A0A087XGN4_POEFO Loading...

C1q and TNF related 6a

AlphaFold DB , UniProt , Accession A0A087XGN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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
1M44.2Very low41.3Very low242 Ų242145.6 Ų145.6100%1.19285%0.847SS**  077.90-69.9-76-131.900108.3
2L40.2Very low41.6Very low176 Ų176143.4 Ų143.492%0.92185%0.846SS**  trans-118114.7167.4-10388.9000106.4
3G38.8Very low42Very low78 Ų78140.7 Ų140.780%0.80484%0.839SS**  trans-76127.6-175.900000111.5
4V41.5Very low42.2Very low126 Ų126139.4 Ų139.476%0.76484%0.836SS**  trans-79.7116169.1176.90000107.7L6V4-L6 HydrophobicContact CG1-CD1 4.18Å; V4-L6 PolarHBondContact O-N 3.48Å
5V43.2Very low42Very low125 Ų125134.6 Ų134.676%0.75883%0.827SS**  trans-83108.7170.7174.90000107.6L7V5-L7 PolarHBondContact O-N 3.45Å
6L39.1Very low42.4Very low141 Ų141134.9 Ų134.974%0.73883%0.828SS**  trans-82.8106.9173.1-126.791.5000108.9V4V4-L6 HydrophobicContact CG1-CD1 4.18Å; V4-L6 PolarHBondContact O-N 3.48Å
7L41.9Very low42.6Very low152 Ų152134.6 Ų134.680%0.79683%0.826SS**  trans-86.6108.8168.9-88.7152.3000108.9V5 L9V5-L7 PolarHBondContact O-N 3.45Å; L7-L9 PolarHBondContact O-N 3.44Å
8L41.1Very low43.1Very low165 Ų165134.3 Ų134.386%0.86482%0.824SS**  trans-78.2104.2171.5-73.9163.6000109.2
9L40.4Very low43.8Very low166 Ų166132.3 Ų132.387%0.86981%0.813SS**  trans-86.2111.1170-76.1158.7000109.1L7 S11L7-L9 PolarHBondContact O-N 3.44Å; L9-S11 PolarHBondContact O-N 3.46Å
10S42.6Very low44.7Very low119 Ų119130.6 Ų130.683%0.83280%0.804SS**  trans-75.2108.3171.453.90000110.1S12S10-S12 PolarHBondContact O-N 3.42Å
11S41.3Very low45.4Very low112 Ų112130.5 Ų130.578%0.78381%0.806SS**  trans-80108.4173.1560000110.6L9L9-S11 PolarHBondContact O-N 3.46Å
12S45.7Very low46.1Very low119 Ų119126.3 Ų126.383%0.83279%0.788SS**  trans-80.1115.4166.136.30000109.8S10S10-S12 PolarHBondContact O-N 3.42Å
13S46.1Very low47.1Very low108 Ų108121.2 Ų121.276%0.75577%0.772SS**  trans-71.9134.6172.1-47.20000110G15S13-G15 PolarHBondContact O-N 3.47Å
14P45Very low48.6Very low122 Ų122123 Ų12379%0.79277%0.769SS**  trans-71.3113.4166.828.7-29.1000107.9V16P14-V16 PolarHBondContact O-N 3.44Å
15G39.8Very low49.8Very low68 Ų68123.5 Ų123.570%0.70178%0.777SS**  trans-61.4126.5175.300000110.6S13 T17S13-G15 PolarHBondContact O-N 3.47Å; G15-T17 PolarHBondContact O-N 3.44Å; G15-T17 VanDerWaalsContact O-N 3.14Å
16V47.2Very low51.2Low139 Ų139122 Ų12284%0.84277%0.771SS**  trans-67.8107.1167.5176.10000107.3P14 V18P14-V16 PolarHBondContact O-N 3.44Å; V16-V18 PolarHBondContact O-N 3.47Å
17T47.1Very low52.8Low131 Ų131125.1 Ų125.180%0.80477%0.774SS**  trans-72.4110172.445.60000109.3G15G15-T17 PolarHBondContact O-N 3.44Å; G15-T17 VanDerWaalsContact O-N 3.14Å
18V50.8Low54Low129 Ų129124.3 Ų124.378%0.78278%0.779SS**PPolyproline II helixtrans-69.5123.5169.7-179.80000108.3V16V16-V18 PolarHBondContact O-N 3.47Å
19P56.6Low55.2Low96 Ų96120.4 Ų120.462%0.62376%0.764SS**PPolyproline II helixtrans-71.3151.6177.622.7-22.7000111.3
20P62.6Low56.3Low97 Ų97117.6 Ų117.663%0.6375%0.75SS**PPolyproline II helixtrans-65158.1-176.725.5-33.3000112.8N22P20-N22 PolarHBondContact O-N 3.41Å
21P57.7Low57.1Low130 Ų130120.8 Ų120.884%0.84475%0.752SS**THydrogen-bonded Turntrans-67.6-2.7-165.8-1527.9000116.2
22N58.7Low57.5Low153 Ų153122.2 Ų122.282%0.81875%0.748SS**THydrogen-bonded Turntrans-119.321.5-170.3-73.9-8.9000113.5P20P20-N22 PolarHBondContact O-N 3.41Å
23A61.7Low57.9Low70 Ų70121.9 Ų121.958%0.57974%0.743SS**PPolyproline II helixtrans-73.8126.716900000109.8C25A23-C25 PolarHBondContact O-N 3.31Å
24P70.1Confident58.3Low115 Ų115122.5 Ų122.575%0.74774%0.744SS**PPolyproline II helixtrans-63.6128.8175.324.6-31000110.1S26P24-S26 PolarHBondContact O-N 3.45Å
25C67.3Low58.7Low136 Ų136121.4 Ų121.492%0.91975%0.746SS**PPolyproline II helixtrans-64.1118.6178.9-167.80000109.9A23A23-C25 PolarHBondContact O-N 3.31Å
26S73Confident58.9Low93 Ų93127.9 Ų127.965%0.6576%0.758SS**PPolyproline II helixtrans-96.5136.2176.5-20.50000109.3P24P24-S26 PolarHBondContact O-N 3.45Å
27R72.4Confident58.8Low208 Ų208125 Ų12579%0.78576%0.756SS**PPolyproline II helixtrans-79.1142.8168.2-87.9175.5154.6-175.6-6.7108.1C29 D30R27-C29 PolarHBondContact O-N 3.26Å; R27-D30 PolarHBondContact N-OD2 2.92Å; R27-D30 PolarHBondContact O-N 2.87Å; R27-D30 VanDerWaalsContact O-N 3.16Å
28C67.8Low58.5Low134 Ų134124.7 Ų124.791%0.90576%0.759SS**THydrogen-bonded Turntrans-58.3-8-178.5-610000115.1
29C65.6Low57.9Low83 Ų83122 Ų12256%0.56176%0.757SS**THydrogen-bonded Turntrans-111.45.8-175.4-56.30000114.1R27 H31 M32R27-C29 PolarHBondContact O-N 3.26Å; C29-H31 PolarHBondContact O-N 3.47Å; C29-M32 HydrophobicContact CB-CE 4.29Å; C29-M32 PolarHBondContact O-N 3.15Å
30D63.1Low57.1Low107 Ų107125.1 Ų125.157%0.57277%0.769SS**THydrogen-bonded Turntrans-69.9-1.6-175.7-65.3-21.8000113.7R27R27-D30 PolarHBondContact N-OD2 2.92Å; R27-D30 PolarHBondContact O-N 2.87Å; R27-D30 VanDerWaalsContact O-N 3.16Å
31H59.7Low56.4Low187 Ų187125.5 Ų125.587%0.86677%0.771SS**THydrogen-bonded Turntrans-93.21.7176.4-71.7-52.8000115.1C29C29-H31 PolarHBondContact O-N 3.47Å
32M49.7Very low55.7Low141 Ų141125.3 Ų125.370%0.69577%0.77SS**SBendtrans-92.1126.8175-88-178-82.600111.3C29C29-M32 HydrophobicContact CB-CE 4.29Å; C29-M32 PolarHBondContact O-N 3.15Å
33P54.3Low54.7Low113 Ų113125.1 Ų125.173%0.73478%0.775SS**PPolyproline II helixtrans-62.4142.6171.525.6-31000109.8
34P54.6Low53.5Low120 Ų120125.1 Ų125.178%0.77978%0.782SS**PPolyproline II helixtrans-64.7142.2177.62.44.8000110.8E36P34-E36 PolarHBondContact O-N 3.08Å
35A52.6Low51.9Low100 Ų100124.5 Ų124.583%0.82679%0.786SS**PPolyproline II helixtrans-61.6123.816900000109.7G37A35-G37 PolarHBondContact O-N 3.33Å
36E45.3Very low50.5Low204 Ų204128.4 Ų128.495%0.95379%0.787SS**  trans-64.2113.5171.2-70.5-173.9154.200109.4P34P34-E36 PolarHBondContact O-N 3.08Å
37G44.7Very low48.8Very low77 Ų77128.1 Ų128.179%0.79480%0.799SS**  trans173.378.2176.700000113.4A35A35-G37 PolarHBondContact O-N 3.33Å
38S39.6Very low47.3Very low126 Ų126126.7 Ų126.788%0.88180%0.801SS**  trans-152.4101.1159.660.20000110.2
39G38.4Very low46.1Very low72 Ų72126.1 Ų126.174%0.74279%0.793SS**  trans-113.2125160.400000108.2
40D40.7Very low45.2Very low162 Ų162127.4 Ų127.487%0.86680%0.8SS**  trans-159.9159.4162.7-108.7-13000110.1
41P47.6Very low44.6Very low104 Ų104129 Ų12968%0.67581%0.805SS**  -105176.6-128.24.817.8000115
42P42.3Very low44.1Very low127 Ų127127.9 Ų127.983%0.82580%0.803SS**  trans-84.7137.2-174.933.6-31.8000112.9
43T37.5Very low44Very low149 Ų149130.5 Ų130.591%0.91481%0.805SS**  trans-104116168.748.40000110.5
44G38.1Very low43.6Very low70 Ų70131.8 Ų131.872%0.72281%0.812SS**  trans-126.3129.3175.900000112.9
45A36.2Very low43.3Very low101 Ų101135.7 Ų135.784%0.83581%0.812SS**  trans54.4118.5146.800000121.7
46F37.8Very low43.2Very low218 Ų218138.7 Ų138.796%0.95681%0.812SS**  trans-135.8128.5153-79.1-78.7000111.4
47G36.8Very low43Very low87 Ų87135.3 Ų135.390%0.89780%0.801SS**  trans83.7111.513500000120.6
48H40.4Very low42.9Very low178 Ų178139.8 Ų139.882%0.82480%0.803SS**  trans-104.4165.8162.8-172.4-78.9000110.4
49V43.9Very low43.2Very low122 Ų122139.4 Ų139.474%0.73980%0.796SS**  trans123.8140.8150179.60000113.6
50P46.1Very low43.2Very low110 Ų110143.2 Ų143.271%0.71480%0.798SS**  cis-133.3-178.2-30.536.5-16.2000115.5
51E51.5Low43.3Very low141 Ų141143 Ų14366%0.65980%0.795SS**  trans-75.9145.8179.9-169.3-179.5-174.100115.1R53E51-R53 HydrophobicContact CG-CG 4.39Å; E51-R53 IonicContact OE1-CZ 3.47Å; E51-R53 IonicContact OE1-NE 3.51Å; E51-R53 PolarHBondContact OE1-NE 3.43Å; E51-R53 IonicContact OE1-NH2 3.33Å
52I47.9Very low43.2Very low163 Ų163147.4 Ų147.484%0.83680%0.804SS**  trans-134.4119161.6-62.4176.8000109.2
53R47.3Very low43.3Very low196 Ų196144.6 Ų144.674%0.7480%0.798SS**  trans-105138.5171.2-70.5179.8176.9-154.3-5.7110E51E51-R53 HydrophobicContact CG-CG 4.39Å; E51-R53 IonicContact OE1-CZ 3.47Å; E51-R53 IonicContact OE1-NE 3.51Å; E51-R53 PolarHBondContact OE1-NE 3.43Å; E51-R53 IonicContact OE1-NH2 3.33Å
54T45.8Very low43.8Very low141 Ų141146 Ų14687%0.86580%0.8SS**  trans-134.9129.1157.348.70000109.8
55Y48.4Very low44.7Very low201 Ų201152.5 Ų152.579%0.78881%0.808SS**  trans-117142.6177.653.3-86.8000107.5
56I50.5Low45.3Very low163 Ų163151.1 Ų151.184%0.83680%0.804SS**  trans-143.7132.1149.2-61.4-173.7000108.4
57N41Very low46.3Very low133 Ų133148.8 Ų148.871%0.71180%0.802SS**  trans-113.8131.1-171.9-179.218.1000108
58M43.9Very low47.2Very low171 Ų171156.9 Ų156.984%0.84281%0.805SS**  trans-148.895.3164.4-73-160.2-54.900112.4
59T45.6Very low47.9Very low119 Ų119151.5 Ų151.573%0.7380%0.798SS**  trans-65122.5158.4-46.10000109.6
60I38.8Very low48.7Very low152 Ų152154 Ų15478%0.77981%0.807SS**  trans-78.4128.3168.3-62.8174.5000108.6
61L41.8Very low49.4Very low156 Ų156160.3 Ų160.382%0.81782%0.817SS**  trans-143.7103.7150.1-72.9-179.8000110.2
62K45.9Very low49.7Very low198 Ų198157.3 Ų157.386%0.86182%0.824SS**  48.6114.2127.4-164.1-176.6-170.8-176.80116.2
63G43.8Very low50.6Low68 Ų68155.8 Ų155.870%0.70182%0.822SS**  cis143.9137.416.600000106.5
64D49.5Very low51.5Low177 Ų177152.4 Ų152.495%0.94783%0.826SS**  trans-119.9147.7170.7-82-37.3000111.3
65K55.8Low52.4Low207 Ų207149.4 Ų149.490%0.982%0.823SS**PPolyproline II helixtrans-70.4143.8-167-174178.2179.2-177.90111.8
66G49Very low53.3Low72 Ų72149.2 Ų149.274%0.74283%0.826SS**PPolyproline II helixtrans-74.2154.8-171.800000116.2
67D59.1Low54.2Low170 Ų170147.8 Ų147.891%0.90982%0.824SS**PPolyproline II helixtrans-96.1148.5161.7-74-39.3000111G69D67-G69 PolarHBondContact O-N 3.15Å
68R55.9Low55.4Low256 Ų256144.7 Ų144.797%0.96682%0.824SS**  trans-88.1105.2-170.4-176.8177.6-179.1166.2-0.1112
69G54.5Low56.7Low65 Ų65144.8 Ų144.867%0.6782%0.822SS**  80.2123.4129.200000119.8D67D67-G69 PolarHBondContact O-N 3.15Å
70D61.4Low58.2Low174 Ų174148.4 Ų148.493%0.9383%0.83SS**  trans-126.7151.5158.5-84.6-39.9000112.1
71R61.1Low59.9Low244 Ų244143.8 Ų143.892%0.92182%0.821SS**PPolyproline II helixtrans-59.5141.8-167.2-167.5172.9179.5151.7-2113.5
72G57.9Low61.7Low78 Ų78142.2 Ų142.280%0.80482%0.82SS**PPolyproline II helixtrans-57.7140.5-171.900000115.4
73T65Low63.4Low130 Ų130138.8 Ų138.880%0.79882%0.818SS**PPolyproline II helixtrans-93.5152.1175.3470000111.6
74P67.9Low65Low126 Ų126139.2 Ų139.282%0.81882%0.822SS**PPolyproline II helixtrans-56.1149.8-176.3-25.334.7000114.3
75G63.9Low66.6Low78 Ų78135.7 Ų135.780%0.80482%0.817SS**PPolyproline II helixtrans-55.3142.4-174.900000114.2
76K66.5Low67.9Low196 Ų196135 Ų13585%0.85282%0.818SS**PPolyproline II helixtrans-66.8132.5-176.8-59.9-174.6179.3-1760111.2G78K76-G78 PolarHBondContact O-N 2.78Å
77V69.6Low69.3Low133 Ų133134.7 Ų134.781%0.80681%0.814SS**PPolyproline II helixtrans-60.3132164.7177.80000108.1H79V77-H79 PolarHBondContact O-N 3.45Å
78G67.1Low70.6Confident68 Ų68133.6 Ų133.670%0.70181%0.813SS**PPolyproline II helixtrans-58.7134.7179.400000111.2K76 E80K76-G78 PolarHBondContact O-N 2.78Å; G78-E80 PolarHBondContact O-N 3.49Å
79H71.6Confident71.9Confident174 Ų174126.1 Ų126.181%0.80681%0.806SS**PPolyproline II helixtrans-66.2128.8177.1-64.8-82.5000109.8V77 G81V77-H79 PolarHBondContact O-N 3.45Å; H79-G81 PolarHBondContact O-N 3.02Å
80E75.6Confident73.3Confident194 Ų194126.7 Ų126.791%0.90781%0.812SS**PPolyproline II helixtrans-59.2133169-167.9171.7-176.500109G78G78-E80 PolarHBondContact O-N 3.49Å
81G75.2Confident74.6Confident56 Ų56124.1 Ų124.158%0.57781%0.808SS**PPolyproline II helixtrans-62.1147.7-175.900000111.5H79H79-G81 PolarHBondContact O-N 3.02Å
82P80.4Confident75.9Confident122 Ų122122.3 Ų122.379%0.79281%0.807SS**PPolyproline II helixtrans-60.4142.717924.9-32.7000110.8G84P82-G84 PolarHBondContact O-N 3.32Å
83P80.9Confident77.2Confident127 Ų127121.8 Ų121.883%0.82580%0.801SS**PPolyproline II helixtrans-52.6137.3173.4-26.434.3000111.5
84G78.2Confident78.4Confident76 Ų76121.1 Ų121.178%0.78480%0.801SS**PPolyproline II helixtrans-57.9144.8-179.500000112.2P82 Q86P82-G84 PolarHBondContact O-N 3.32Å; G84-Q86 PolarHBondContact O-N 3.29Å
85A81.8Confident79.5Confident103 Ų103124.7 Ų124.785%0.85180%0.804SS**PPolyproline II helixtrans-59.2136.6179.600000111.3G87A85-G87 PolarHBondContact O-N 2.77Å
86Q82.4Confident80.6Confident194 Ų194123.9 Ų123.991%0.90780%0.796SS**PPolyproline II helixtrans-60.8133.2176.3-174.6172.9-21.800110.3G84G84-Q86 PolarHBondContact O-N 3.29Å
87G80.3Confident81.8Confident65 Ų65123.4 Ų123.467%0.6780%0.797SS**PPolyproline II helixtrans-60147.8-179.700000112.6A85A85-G87 PolarHBondContact O-N 2.77Å
88V84.5Confident82.8Confident147 Ų147121.8 Ų121.889%0.89180%0.797SS**PPolyproline II helixtrans-60.2136.7178.9-69.70000111.3G90V88-G90 PolarHBondContact O-N 3.43Å
89A85.2Confident83.8Confident99 Ų99121.5 Ų121.582%0.81879%0.794SS**PPolyproline II helixtrans-60.7135.5175.800000110.6
90G83.3Confident84.7Confident77 Ų77119 Ų11979%0.79479%0.793SS**PPolyproline II helixtrans-62.2144.8179.300000112.4V88V88-G90 PolarHBondContact O-N 3.43Å
91S87.9Confident85.3Confident120 Ų120115.8 Ų115.884%0.83979%0.789SS**PPolyproline II helixtrans-62135.9178.254.50000111.5G93S91-G93 PolarHBondContact O-N 3.45Å
92K88.3Confident85.7Confident206 Ų206116.5 Ų116.590%0.89680%0.797SS**PPolyproline II helixtrans-58.1132.9172-170.9176.6-176.8176.80109.8
93G85.5Confident85.9Confident66 Ų66118.2 Ų118.268%0.6880%0.799SS**PPolyproline II helixtrans-58.9149.8177.500000112.5S91S91-G93 PolarHBondContact O-N 3.45Å
94S90.5Very high85.8Confident116 Ų116117.6 Ų117.681%0.81180%0.795SS**PPolyproline II helixtrans-61.5145.6176.752.70000111.6G96S94-G96 PolarHBondContact O-N 2.98Å
95K90.5Very high85.6Confident201 Ų201119.3 Ų119.387%0.87479%0.794SS**PPolyproline II helixtrans-59.1136171.2-168.9176.9179.7-179.80109.4
96G88.3Confident85.5Confident62 Ų62123.9 Ų123.964%0.63980%0.795SS**PPolyproline II helixtrans-58.6154.1173.800000111.7S94S94-G96 PolarHBondContact O-N 2.98Å
97H90.2Very high85.5Confident186 Ų186121.4 Ų121.486%0.86179%0.787SS**PPolyproline II helixtrans-70.5151.2178.1-67.740.6000110.2
98A90.3Very high85.9Confident98 Ų98121.2 Ų121.281%0.8177%0.774SS**PPolyproline II helixtrans-61.2142.8170.500000109.6
99G88.9Confident86.3Confident62 Ų62119.3 Ų119.364%0.63976%0.755SS**PPolyproline II helixtrans-63.3163.7172.900000111.7
100P91.3Very high86.8Confident123 Ų123114.7 Ų114.780%0.79972%0.717SS**PPolyproline II helixtrans-60151.2173.327.2-33.9000110.7
101P87.2Confident87.5Confident125 Ų125112.3 Ų112.381%0.81269%0.69SS**PPolyproline II helixtrans-53.6142.5169.2-23.733.8000111
102G84.1Confident88Confident72 Ų72106.9 Ų106.974%0.74265%0.651SS**PPolyproline II helixtrans-66.7161172.500000112
103D83.7Confident88.5Confident158 Ų15898.3 Ų98.385%0.84562%0.617SS**PPolyproline II helixtrans-60.1149.9177.2-73.3-35.8000111.8C105D103-C105 PolarHBondContact O-N 3.32Å
104P79.4Confident89.1Confident113 Ų11395.1 Ų95.173%0.73458%0.584SS**PPolyproline II helixtrans-56.7137174.4-20.230.6000111.2K106P104-K106 PolarHBondContact O-N 3.19Å; P104-K106 VanDerWaalsContact O-N 3.08Å
105C74.4Confident89.5Confident113 Ų11389.6 Ų89.676%0.76455%0.546SS*.  trans-62.4113.3173.4-174.10000109.6D103 L107D103-C105 PolarHBondContact O-N 3.32Å; C105-L107 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact O-N 3.13Å
106K79.1Confident89.8Confident198 Ų19881.6 Ų81.686%0.86151%0.51SS*.  trans-77.696171.4-66.5-177.1-176.61780107.9P104 P108P104-K106 PolarHBondContact O-N 3.19Å; P104-K106 VanDerWaalsContact O-N 3.08Å; K106-P108 WeakPolarHBondContact O-CD 3.39Å
107L82.6Confident90.2Very high143 Ų14382.6 Ų82.675%0.74949%0.494SS*.  trans-64.2119170.4-80.2151.8000108.3C105C105-L107 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact O-N 3.13Å
108P89.8Confident90.5Very high60 Ų6080.8 Ų80.839%0.3948%0.484SS..  trans-67140.1178.230.8-36.6000109.3K106 V153 L238 A241K106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-V153 HydrophobicContact CB-CG1 3.73Å; P108-V153 HydrophobicContact CB-CG2 4.03Å; P108-V153 HydrophobicContact CG-CG1 4Å; P108-L238 HydrophobicContact CB-CD2 4.5Å; P108-L238 HydrophobicContact CG-CD2 4.48Å; P108-L238 WeakPolarHBondContact O-CD2 3.48Å; P108-A241 HydrophobicContact CG-CB 3.52Å
109H91.6Very high90.8Very high107 Ų10777.7 Ų77.750%0.49546%0.457SS..  trans-130.1152.2174.958.287.4000109.4D139 R152H109-D139 IonicContact CE1-OD1 3.13Å; H109-D139 PolarHBondContact CE1-OD1 3.32Å; H109-D139 IonicContact CE1-OD2 2.87Å; H109-D139 IonicContact ND1-OD1 3.29Å; H109-D139 IonicContact ND1-OD2 2.64Å; H109-D139 PolarHBondContact ND1-OD2 3.49Å; H109-D139 VanDerWaalsContact ND1-OD2 3.15Å; H109-R152 PolarHBondContact O-NH2 3.19Å; H109-R152 VanDerWaalsContact O-NH2 3.15Å
110S96.1Very high91.1Very high3 Ų376 Ų762%0.02143%0.432CS..  trans-157123.9171.3163.70000106.7D141 F149 Y237 L238S110-D141 PolarHBondContact OG-OD2 3.47Å; S110-F149 WeakPolarHBondContact OG-CE2 3.38Å; S110-F149 WeakPolarHBondContact OG-CZ 3.44Å; S110-Y237 CarbonylContact O-C 3.58Å; S110-Y237 WeakPolarHBondContact O-CA 3.4Å; S110-L238 PolarHBondContact O-N 3.25Å
111A97.5Very high91.4Very high27 Ų2772.4 Ų72.422%0.22341%0.405CS..EExtended strand (participates in β ladder)trans-152.5141.4177.900000111.5G236A111-G236 CarbonylContact C-O 3.56Å; A111-G236 VanDerWaalsContact CA-O 3.32Å; A111-G236 WeakPolarHBondContact CA-O 3.19Å
112F98.5Very high91.8Very high6 Ų666.5 Ų66.53%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-139.6153169.872.7-86.2000111.4V114 V136 F142 F149 F159 F234 N235 G236F112-V114 HydrophobicContact CD2-CG1 4.39Å; F112-V114 HydrophobicContact CD2-CG2 4.16Å; F112-V114 HydrophobicContact CE2-CG2 4.39Å; F112-V136 CarbonylContact C-O 3.49Å; F112-V136 WeakPolarHBondContact CA-O 3.42Å; F112-F142 HydrophobicContact CB-CB 3.97Å; F112-F142 HydrophobicContact CD1-CD2 4.26Å; F112-F142 HydrophobicContact CD2-CB 4.29Å; F112-F142 AromaticContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CD2 3.46Å; F112-F142 VanDerWaalsContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CE2 4.08Å; F112-F142 HydrophobicContact CD2-CG 4.06Å; F112-F142 HydrophobicContact CE1-CD2 4.27Å; F112-F142 AromaticContact CE2-CD2 3.49Å; F112-F142 HydrophobicContact CE2-CD2 3.49Å; F112-F142 VanDerWaalsContact CE2-CD2 3.49Å; F112-F142 AromaticContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CG 4.49Å; F112-F142 HydrophobicContact CG-CB 4.01Å; F112-F142 AromaticContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CG 4.26Å; F112-F142 AromaticContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CE2 4.22Å; F112-F149 HydrophobicContact CD1-CB 4.33Å; F112-F149 AromaticContact CD1-CD2 3.36Å; F112-F149 HydrophobicContact CD1-CD2 3.36Å; F112-F149 AromaticContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CG 4.04Å; F112-F149 HydrophobicContact CE1-CB 3.65Å; F112-F149 HydrophobicContact CE1-CD1 4.37Å; F112-F149 AromaticContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CE2 4.06Å; F112-F149 AromaticContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CG-CD2 4.45Å; F112-F149 HydrophobicContact CZ-CB 3.97Å; F112-F149 HydrophobicContact CZ-CD2 4.43Å; F112-F149 HydrophobicContact CZ-CG 4.32Å; F112-F159 HydrophobicContact CE1-CD1 4.2Å; F112-F159 AromaticContact CE1-CE1 3.71Å; F112-F159 HydrophobicContact CE1-CE1 3.71Å; F112-F159 AromaticContact CZ-CD1 3.94Å; F112-F159 HydrophobicContact CZ-CD1 3.94Å; F112-F159 AromaticContact CZ-CE1 3.84Å; F112-F159 HydrophobicContact CZ-CE1 3.84Å; F112-F234 AromaticContact CE2-CD1 3.59Å; F112-F234 HydrophobicContact CE2-CD1 3.59Å; F112-F234 AromaticContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CG 4.04Å; F112-F234 HydrophobicContact CE2-CZ 4.35Å; F112-F234 AromaticContact CZ-CD1 4Å; F112-F234 HydrophobicContact CZ-CD1 4Å; F112-F234 AromaticContact CZ-CE1 3.67Å; F112-F234 HydrophobicContact CZ-CE1 3.67Å; F112-F234 AromaticContact CZ-CZ 3.94Å; F112-F234 HydrophobicContact CZ-CZ 3.94Å; F112-N235 WeakPolarHBondContact O-CA 3.18Å; F112-G236 PolarHBondContact N-O 3.42Å; F112-G236 PolarHBondContact O-N 3.38Å
113S98.6Very high92.3Very high25 Ų2567.4 Ų67.418%0.17535%0.354CS..EExtended strand (participates in β ladder)trans-146.5113.1170178.30000106.9F135 V136 N235S113-F135 WeakPolarHBondContact O-CA 3.45Å; S113-F135 WeakPolarHBondContact O-CB 3.42Å; S113-F135 PolarHBondContact O-N 2.97Å; S113-V136 PolarHBondContact N-O 3.24Å; S113-V136 PolarHBondContact O-N 3.36Å; S113-N235 WeakPolarHBondContact CA-OD1 3.39Å; S113-N235 VanDerWaalsContact CB-OD1 3.26Å; S113-N235 WeakPolarHBondContact CB-OD1 3.34Å; S113-N235 PolarHBondContact OG-OD1 3.22Å
114V98.7Very high92.8Very high0 Ų065.3 Ų65.30%034%0.343CS..EExtended strand (participates in β ladder)trans-127.2155.8-176-62.70000109.9F112 F131 T133 F142 M144 T233 F234F112-V114 HydrophobicContact CD2-CG1 4.39Å; F112-V114 HydrophobicContact CD2-CG2 4.16Å; F112-V114 HydrophobicContact CE2-CG2 4.39Å; V114-F131 HydrophobicContact CB-CB 3.96Å; V114-F131 HydrophobicContact CB-CD1 4.38Å; V114-F131 HydrophobicContact CB-CG 4.13Å; V114-F131 HydrophobicContact CG2-CB 3.9Å; V114-F131 HydrophobicContact CG2-CD1 3.78Å; V114-F131 HydrophobicContact CG2-CD2 3.82Å; V114-F131 HydrophobicContact CG2-CE1 4.27Å; V114-F131 HydrophobicContact CG2-CE2 4.31Å; V114-F131 HydrophobicContact CG2-CG 3.53Å; V114-T133 CarbonylContact C-O 3.53Å; V114-T133 WeakPolarHBondContact CA-O 3.32Å; V114-F142 HydrophobicContact CG1-CD1 3.97Å; V114-F142 HydrophobicContact CG1-CE1 4.28Å; V114-F142 HydrophobicContact CG1-CG 4.25Å; V114-F142 HydrophobicContact CG2-CD1 4.36Å; V114-F142 HydrophobicContact CG2-CD2 4.47Å; V114-F142 HydrophobicContact CG2-CE1 3.95Å; V114-F142 HydrophobicContact CG2-CE2 4.08Å; V114-F142 HydrophobicContact CG2-CZ 3.8Å; V114-M144 HydrophobicContact CB-CE 4.38Å; V114-M144 HydrophobicContact CB-SD 4.38Å; V114-M144 HydrophobicContact CG1-CE 4.17Å; V114-M144 HydrophobicContact CG1-SD 3.63Å; V114-T233 CarbonylContact O-C 3.58Å; V114-T233 WeakPolarHBondContact O-CA 3.3Å; V114-F234 HydrophobicContact CG2-CB 4.11Å; V114-F234 WeakPolarHBondContact CG2-O 3.38Å; V114-F234 PolarHBondContact N-O 2.84Å; V114-F234 PolarHBondContact O-N 2.98Å
115A98.3Very high93.5Very high0 Ų062.8 Ų62.80%033%0.332CS..EExtended strand (participates in β ladder)trans-136.3156.6-177.700000112F131 D132 T133 F135 V230 I232 T233A115-F131 WeakPolarHBondContact O-CB 3.46Å; A115-D132 PolarHBondContact O-N 2.84Å; A115-T133 HydrophobicContact CB-CG2 4.31Å; A115-T133 PolarHBondContact N-O 2.96Å; A115-T133 PolarHBondContact O-N 2.9Å; A115-F135 HydrophobicContact CB-CD2 4.22Å; A115-F135 HydrophobicContact CB-CE2 3.51Å; A115-F135 HydrophobicContact CB-CZ 4.11Å; A115-V230 HydrophobicContact CB-CG1 3.42Å; A115-V230 VanDerWaalsContact CB-CG1 3.42Å; A115-I232 VanDerWaalsContact CA-O 3.23Å; A115-I232 WeakPolarHBondContact CA-O 3.4Å; A115-I232 WeakPolarHBondContact CB-O 3.17Å; A115-T233 HydrophobicContact CB-CG2 4.3Å
116R97.4Very high94.5Very high33 Ų3362 Ų6213%0.12531%0.314CS..EExtended strand (participates in β ladder)trans-121.4122.4174.6-177.8-175.2174.285.18.8107.9K118 S119 V130 F131 D132 S225 I232R116-K118 WeakPolarHBondContact CD-O 3.36Å; R116-K118 VanDerWaalsContact CG-O 3.3Å; R116-K118 WeakPolarHBondContact CG-O 3.42Å; R116-K118 PolarHBondContact NE-O 2.79Å; R116-S119 PolarHBondContact NH2-O 3.13Å; R116-V130 WeakPolarHBondContact CD-O 3.2Å; R116-V130 PolarHBondContact NH1-O 3.14Å; R116-F131 HydrophobicContact CB-CD1 3.97Å; R116-D132 WeakPolarHBondContact CA-OD1 3.46Å; R116-S225 PolarHBondContact O-OG 2.91Å; R116-I232 HydrophobicContact CB-CB 4.09Å; R116-I232 HydrophobicContact CB-CG2 3.83Å; R116-I232 PolarHBondContact N-O 2.8Å; R116-I232 VanDerWaalsContact N-O 3.09Å
117R96.1Very high95.2Very high82 Ų8254.3 Ų54.331%0.30928%0.281SS..  trans-89.6-27.7177.8-69.1178.3172.8-84.9-1.4112.3D132 T133 S225 D226 V230R117-D132 PolarHBondContact N-OD1 3.14Å; R117-D132 PolarHBondContact N-OD2 3.26Å; R117-D132 VanDerWaalsContact N-OD2 3.15Å; R117-T133 WeakPolarHBondContact CD-OG1 3.32Å; R117-T133 PolarHBondContact NE-OG1 2.8Å; R117-S225 WeakPolarHBondContact CA-OG 3.48Å; R117-S225 CarbonylContact O-C 3.59Å; R117-S225 VanDerWaalsContact O-C 3.29Å; R117-S225 WeakPolarHBondContact O-CB 3.34Å; R117-S225 PolarHBondContact O-OG 3.25Å; R117-D226 CarbonylContact C-O 3.53Å; R117-D226 CarbonylContact O-C 3.55Å; R117-D226 VanDerWaalsContact O-C 3.27Å; R117-D226 PolarHBondContact O-N 3.15Å; R117-V230 HydrophobicContact CG-CG2 4.42Å
118K96.3Very high95.9Very high148 Ų14849 Ų4964%0.64326%0.257SS*.SBendtrans-87.8139.5-179.1-62.8-178.3-176.3178.20111.5R116 D132R116-K118 WeakPolarHBondContact CD-O 3.36Å; R116-K118 VanDerWaalsContact CG-O 3.3Å; R116-K118 WeakPolarHBondContact CG-O 3.42Å; R116-K118 PolarHBondContact NE-O 2.79Å; K118-D132 PolarHBondContact N-OD2 3.36Å
119S96.6Very high96.3Very high34 Ų3446.1 Ų46.124%0.23824%0.239CC..  trans-60.8163.6167.9-69.20000112.8R116 W166 I223 S225R116-S119 PolarHBondContact NH2-O 3.13Å; S119-W166 VanDerWaalsContact CB-CZ3 3.44Å; S119-W166 WeakPolarHBondContact OG-CZ3 3.18Å; S119-I223 WeakPolarHBondContact CA-O 3.45Å; S119-I223 WeakPolarHBondContact CB-O 3.41Å; S119-S225 PolarHBondContact N-O 3.11Å; S119-S225 PolarHBondContact OG-N 2.88Å; S119-S225 PolarHBondContact OG-O 2.85Å
120L96.6Very high96.6Very high25 Ų2543.3 Ų43.313%0.13123%0.229CC..EExtended strand (participates in β ladder)trans-145129.9178.9-173.459.6000111V129 L214 A222 I223L120-V129 HydrophobicContact CD2-CG2 4.35Å; L120-L214 HydrophobicContact CD2-CD2 4.06Å; L120-L214 HydrophobicContact CG-CD2 3.97Å; L120-A222 VanDerWaalsContact O-CA 3.27Å; L120-A222 WeakPolarHBondContact O-CA 3.5Å; L120-I223 HydrophobicContact CB-CD1 4.03Å; L120-I223 HydrophobicContact CB-CG1 3.74Å; L120-I223 HydrophobicContact CD2-CD1 4.4Å; L120-I223 PolarHBondContact N-O 2.82Å; L120-I223 PolarHBondContact O-N 2.85Å
121H97Very high96.7Very high49 Ų4943.6 Ų43.623%0.22723%0.23CC..EExtended strand (participates in β ladder)trans-98.6149.4168.1-75-87.5000110.1Q127 R219H121-Q127 PolarHBondContact O-NE2 2.64Å; H121-R219 PolarHBondContact ND1-O 2.95Å
122S96.2Very high96.6Very high1 Ų145.8 Ų45.81%0.00724%0.238CC..  trans-66.8150.2167.853.20000111.7F215 R217 R219 N221S122-F215 WeakPolarHBondContact CB-O 3.41Å; S122-R217 PolarHBondContact OG-O 2.84Å; S122-R219 VanDerWaalsContact O-CA 3.32Å; S122-R219 WeakPolarHBondContact O-CA 3.41Å; S122-R219 PolarHBondContact O-N 2.78Å; S122-N221 WeakPolarHBondContact CB-O 3.35Å; S122-N221 PolarHBondContact N-O 3.02Å; S122-N221 WeakPolarHBondContact OG-CA 3.3Å; S122-N221 WeakPolarHBondContact OG-CB 3.41Å; S122-N221 PolarHBondContact OG-N 2.82Å; S122-N221 VanDerWaalsContact OG-N 3.11Å; S122-N221 PolarHBondContact OG-O 2.8Å
123D94.1Very high96.6Very high90 Ų9046.8 Ų46.848%0.48124%0.244SC..  trans-106.1-171.8166.6-64.3-47.4000108.7A125 Q127 K216 R217D123-A125 PolarHBondContact O-N 3.05Å; D123-Q127 PolarHBondContact OD2-NE2 2.83Å; D123-K216 WeakPolarHBondContact O-CA 3.26Å; D123-R217 PolarHBondContact O-N 3.11Å; D123-R217 VanDerWaalsContact O-N 3.07Å
124D93.1Very high96.5Very high115 Ų11549 Ų4962%0.61526%0.257SS*.SBendtrans-75.4-8.7175-59.9-25.2000113.1K216 E218D124-K216 WeakPolarHBondContact O-CD 3.25Å; D124-E218 WeakPolarHBondContact OD1-CA 3.32Å; D124-E218 WeakPolarHBondContact OD1-CB 3.34Å; D124-E218 WeakPolarHBondContact OD1-CG 3.14Å
125A94.4Very high96.5Very high60 Ų6054.3 Ų54.350%0.49628%0.28SS..SBendtrans-113.7156.6176.100000111.6D123 Q127 K216D123-A125 PolarHBondContact O-N 3.05Å; A125-Q127 PolarHBondContact O-N 3.12Å; A125-K216 VanDerWaalsContact C-CB 3.46Å
126Y95.4Very high96.5Very high97 Ų9756.8 Ų56.838%0.3830%0.295SS..  trans-65.9134.8168.7-70.1-71.4000109R213 F215 K216Y126-R213 HydrophobicContact CD1-CG 4.23Å; Y126-F215 AromaticContact CE1-CD2 3.64Å; Y126-F215 HydrophobicContact CE1-CD2 3.64Å; Y126-F215 AromaticContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CG 4.06Å; Y126-F215 HydrophobicContact CE1-CZ 4.4Å; Y126-F215 WeakPolarHBondContact OH-CE2 3.36Å; Y126-K216 HydrophobicContact CD1-CB 4.37Å; Y126-K216 HydrophobicContact CD1-CG 4.32Å; Y126-K216 HydrophobicContact CD2-CD 3.97Å; Y126-K216 HydrophobicContact CD2-CG 4.42Å; Y126-K216 HydrophobicContact CE1-CD 4.5Å; Y126-K216 HydrophobicContact CE1-CG 4.01Å; Y126-K216 HydrophobicContact CE2-CD 3.71Å; Y126-K216 HydrophobicContact CE2-CG 4.13Å; Y126-K216 HydrophobicContact CG-CD 4.47Å
127Q94.9Very high96.5Very high36 Ų3657.1 Ų57.117%0.16830%0.3CS..EExtended strand (participates in β ladder)trans-129.2142.9179.463178.9-70.300111H121 D123 A125 R213 L214H121-Q127 PolarHBondContact O-NE2 2.64Å; D123-Q127 PolarHBondContact OD2-NE2 2.83Å; A125-Q127 PolarHBondContact O-N 3.12Å; Q127-R213 WeakPolarHBondContact O-CA 3.4Å; Q127-L214 HydrophobicContact CG-CB 3.84Å; Q127-L214 HydrophobicContact CG-CD2 4.27Å; Q127-L214 PolarHBondContact O-N 2.84Å
128A97.1Very high96.1Very high30 Ų3059 Ų5925%0.24832%0.315CS..EExtended strand (participates in β ladder)trans-73.2136.6169.800000109.5V130 W211A128-V130 PolarHBondContact O-N 3.22Å; A128-W211 HydrophobicContact CB-CE3 3.65Å; A128-W211 HydrophobicContact CB-CZ3 3.66Å
129V97.9Very high95.8Very high0 Ų054.6 Ų54.60%030%0.299CS..  trans-77.2112.3171.8-178.30000107.8L120 F131 L173 V212 L214 I223L120-V129 HydrophobicContact CD2-CG2 4.35Å; V129-F131 HydrophobicContact CG1-CE1 4.44Å; V129-F131 HydrophobicContact CG1-CE2 4.35Å; V129-F131 HydrophobicContact CG1-CZ 4.06Å; V129-F131 WeakPolarHBondContact O-CD2 3.17Å; V129-F131 WeakPolarHBondContact O-CE2 3.5Å; V129-L173 HydrophobicContact CG2-CD2 3.7Å; V129-V212 HydrophobicContact CB-CB 4.19Å; V129-V212 HydrophobicContact CB-CG1 4.27Å; V129-V212 HydrophobicContact CG2-CB 4.31Å; V129-V212 HydrophobicContact CG2-CG1 3.88Å; V129-V212 PolarHBondContact N-O 2.88Å; V129-L214 HydrophobicContact CG2-CB 4.19Å; V129-I223 HydrophobicContact CG1-CD1 4.09Å; V129-I223 HydrophobicContact CG2-CD1 4.44Å
130V97.7Very high95.8Very high49 Ų4955.4 Ų55.430%0.29731%0.312SS..  trans-91.1143.9176.3-176.30000109.9R116 A128 M144R116-V130 WeakPolarHBondContact CD-O 3.2Å; R116-V130 PolarHBondContact NH1-O 3.14Å; A128-V130 PolarHBondContact O-N 3.22Å; V130-M144 WeakPolarHBondContact CG1-O 3.49Å
131F97.9Very high95.8Very high8 Ų855.1 Ų55.14%0.03531%0.311CS..  trans-109148-177.2-61.2-91.1000109.8V114 A115 R116 V129 F142 M144 I232 F234V114-F131 HydrophobicContact CB-CB 3.96Å; V114-F131 HydrophobicContact CB-CD1 4.38Å; V114-F131 HydrophobicContact CB-CG 4.13Å; V114-F131 HydrophobicContact CG2-CB 3.9Å; V114-F131 HydrophobicContact CG2-CD1 3.78Å; V114-F131 HydrophobicContact CG2-CD2 3.82Å; V114-F131 HydrophobicContact CG2-CE1 4.27Å; V114-F131 HydrophobicContact CG2-CE2 4.31Å; V114-F131 HydrophobicContact CG2-CG 3.53Å; A115-F131 WeakPolarHBondContact O-CB 3.46Å; R116-F131 HydrophobicContact CB-CD1 3.97Å; V129-F131 HydrophobicContact CG1-CE1 4.44Å; V129-F131 HydrophobicContact CG1-CE2 4.35Å; V129-F131 HydrophobicContact CG1-CZ 4.06Å; V129-F131 WeakPolarHBondContact O-CD2 3.17Å; V129-F131 WeakPolarHBondContact O-CE2 3.5Å; F131-F142 AromaticContact CD2-CE1 3.95Å; F131-F142 HydrophobicContact CD2-CE1 3.95Å; F131-F142 AromaticContact CD2-CZ 3.53Å; F131-F142 HydrophobicContact CD2-CZ 3.53Å; F131-F142 AromaticContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CG-CZ 4.46Å; F131-M144 HydrophobicContact CB-CE 3.86Å; F131-M144 WeakPolarHBondContact O-CE 3.29Å; F131-I232 HydrophobicContact CE1-CG2 4.11Å; F131-F234 HydrophobicContact CD1-CB 4.44Å; F131-F234 HydrophobicContact CE1-CB 3.53Å; F131-F234 HydrophobicContact CE2-CB 4.07Å; F131-F234 AromaticContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CG 4.41Å; F131-F234 HydrophobicContact CZ-CB 3.31Å; F131-F234 AromaticContact CZ-CD1 3.98Å; F131-F234 HydrophobicContact CZ-CD1 3.98Å; F131-F234 AromaticContact CZ-CG 3.97Å; F131-F234 HydrophobicContact CZ-CG 3.97Å
132D96.3Very high95.8Very high74 Ų7453 Ų5340%0.39630%0.301SS..  trans-119-5.6-174.258.724.5000113.4A115 R116 R117 K118A115-D132 PolarHBondContact O-N 2.84Å; R116-D132 WeakPolarHBondContact CA-OD1 3.46Å; R117-D132 PolarHBondContact N-OD1 3.14Å; R117-D132 PolarHBondContact N-OD2 3.26Å; R117-D132 VanDerWaalsContact N-OD2 3.15Å; K118-D132 PolarHBondContact N-OD2 3.36Å
133T97.1Very high95.9Very high26 Ų2655.8 Ų55.816%0.1632%0.316CS..EExtended strand (participates in β ladder)trans-131.2134-176.1-58.10000109.3V114 A115 R117 F135V114-T133 CarbonylContact C-O 3.53Å; V114-T133 WeakPolarHBondContact CA-O 3.32Å; A115-T133 HydrophobicContact CB-CG2 4.31Å; A115-T133 PolarHBondContact N-O 2.96Å; A115-T133 PolarHBondContact O-N 2.9Å; R117-T133 WeakPolarHBondContact CD-OG1 3.32Å; R117-T133 PolarHBondContact NE-OG1 2.8Å; T133-F135 HydrophobicContact CG2-CE1 4.43Å; T133-F135 HydrophobicContact CG2-CZ 4.47Å
134V98.1Very high96Very high72 Ų7253.6 Ų53.644%0.43630%0.303SS..EExtended strand (participates in β ladder)trans-111124.2176.7-177.60000108.9N137 M144V134-N137 HydrophobicContact CG1-CB 3.7Å; V134-M144 HydrophobicContact CG2-CE 3.55Å; V134-M144 HydrophobicContact CG2-CG 4.05Å; V134-M144 HydrophobicContact CG2-SD 3.59Å; V134-M144 VanDerWaalsContact CG2-SD 3.59Å
135F98.1Very high96.2Very high111 Ų11157.2 Ų57.249%0.48731%0.314SS..EExtended strand (participates in β ladder)trans-94.7-46165.6-62.8-60.8000110.7S113 A115 T133 V230 T233S113-F135 WeakPolarHBondContact O-CA 3.45Å; S113-F135 WeakPolarHBondContact O-CB 3.42Å; S113-F135 PolarHBondContact O-N 2.97Å; A115-F135 HydrophobicContact CB-CD2 4.22Å; A115-F135 HydrophobicContact CB-CE2 3.51Å; A115-F135 HydrophobicContact CB-CZ 4.11Å; T133-F135 HydrophobicContact CG2-CE1 4.43Å; T133-F135 HydrophobicContact CG2-CZ 4.47Å; F135-V230 HydrophobicContact CE2-CG1 4.2Å; F135-V230 HydrophobicContact CZ-CG1 4.09Å; F135-V230 HydrophobicContact CZ-CG2 4.35Å; F135-T233 HydrophobicContact CE2-CG2 4.33Å
136V98.1Very high96.3Very high53 Ų5359.6 Ų59.632%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-140.8132179.1-178.50000108.6F112 S113 L138F112-V136 CarbonylContact C-O 3.49Å; F112-V136 WeakPolarHBondContact CA-O 3.42Å; S113-V136 PolarHBondContact N-O 3.24Å; S113-V136 PolarHBondContact O-N 3.36Å; V136-L138 HydrophobicContact CG1-CD1 4.35Å; V136-L138 HydrophobicContact CG1-CD2 4.03Å; V136-L138 HydrophobicContact CG1-CG 3.71Å
137N97.1Very high96.4Very high40 Ų4055 Ų5521%0.21430%0.297CS..EExtended strand (participates in β ladder)trans-156.664.2168-169.313.6000108.3V134 D139 G140 D141 F142V134-N137 HydrophobicContact CG1-CB 3.7Å; N137-D139 VanDerWaalsContact C-N 3.29Å; N137-D139 PolarHBondContact O-N 3.3Å; N137-G140 PolarHBondContact O-N 2.85Å; N137-G140 WeakPolarHBondContact OD1-CA 3.31Å; N137-D141 PolarHBondContact OD1-N 2.84Å; N137-F142 PolarHBondContact ND2-O 2.84Å; N137-F142 PolarHBondContact OD1-N 2.89Å
138L87.3Confident96.6Very high121 Ų12156.5 Ų56.563%0.63430%0.302SS*.THydrogen-bonded Turntrans-57.8-41.7-162.5-62.7177.1000113V136V136-L138 HydrophobicContact CG1-CD1 4.35Å; V136-L138 HydrophobicContact CG1-CD2 4.03Å; V136-L138 HydrophobicContact CG1-CG 3.71Å
139D91.4Very high96.7Very high56 Ų5655 Ų5530%0.29929%0.291SS..THydrogen-bonded Turntrans-107.73.2-172.2-60.7-73.8000112.5H109 N137 D141 R152H109-D139 IonicContact CE1-OD1 3.13Å; H109-D139 PolarHBondContact CE1-OD1 3.32Å; H109-D139 IonicContact CE1-OD2 2.87Å; H109-D139 IonicContact ND1-OD1 3.29Å; H109-D139 IonicContact ND1-OD2 2.64Å; H109-D139 PolarHBondContact ND1-OD2 3.49Å; H109-D139 VanDerWaalsContact ND1-OD2 3.15Å; N137-D139 VanDerWaalsContact C-N 3.29Å; N137-D139 PolarHBondContact O-N 3.3Å; D139-D141 WeakPolarHBondContact CB-OD2 3.43Å; D139-D141 PolarHBondContact O-N 2.92Å; D139-R152 IonicContact OD1-NH2 2.84Å; D139-R152 IonicContact OD2-NH2 2.92Å; D139-R152 PolarHBondContact OD2-NH2 3.44Å
140G95.1Very high96.7Very high51 Ų5159.5 Ų59.553%0.52631%0.314SS..SBendtrans67.517.4-175.100000113.9N137 F142N137-G140 PolarHBondContact O-N 2.85Å; N137-G140 WeakPolarHBondContact OD1-CA 3.31Å; G140-F142 PolarHBondContact O-N 2.87Å
141D96.6Very high96.7Very high19 Ų1957.3 Ų57.310%0.10230%0.301CS..  trans-70.5-12.6-178.1-66.6-33.8000112.1S110 N137 D139 F149 L150 R152S110-D141 PolarHBondContact OG-OD2 3.47Å; N137-D141 PolarHBondContact OD1-N 2.84Å; D139-D141 WeakPolarHBondContact CB-OD2 3.43Å; D139-D141 PolarHBondContact O-N 2.92Å; D141-F149 HydrophobicContact CB-CD2 4.06Å; D141-F149 HydrophobicContact CB-CE2 3.57Å; D141-F149 HydrophobicContact CB-CZ 4.46Å; D141-F149 CarbonylContact O-C 3.57Å; D141-F149 WeakPolarHBondContact O-CA 3.36Å; D141-L150 PolarHBondContact O-N 3.16Å; D141-R152 WeakPolarHBondContact OD1-CB 3.44Å; D141-R152 IonicContact OD1-CZ 3.15Å; D141-R152 IonicContact OD1-NE 3.64Å; D141-R152 PolarHBondContact OD1-NE 2.99Å; D141-R152 IonicContact OD1-NH2 3.64Å; D141-R152 IonicContact OD2-CZ 3.86Å; D141-R152 IonicContact OD2-NE 3.55Å; D141-R152 PolarHBondContact OD2-NE 3.43Å; D141-R152 IonicContact OD2-NH2 3.89Å; D141-R152 PolarHBondContact OD2-NH2 3.15Å
142F98.3Very high96.6Very high4 Ų462.6 Ų62.62%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-100.7120.1169.6-164.9-82.1000112.2F112 V114 F131 N137 G140 M144 G147 F149 F234F112-F142 HydrophobicContact CB-CB 3.97Å; F112-F142 HydrophobicContact CD1-CD2 4.26Å; F112-F142 HydrophobicContact CD2-CB 4.29Å; F112-F142 AromaticContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CD2 3.46Å; F112-F142 VanDerWaalsContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CE2 4.08Å; F112-F142 HydrophobicContact CD2-CG 4.06Å; F112-F142 HydrophobicContact CE1-CD2 4.27Å; F112-F142 AromaticContact CE2-CD2 3.49Å; F112-F142 HydrophobicContact CE2-CD2 3.49Å; F112-F142 VanDerWaalsContact CE2-CD2 3.49Å; F112-F142 AromaticContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CG 4.49Å; F112-F142 HydrophobicContact CG-CB 4.01Å; F112-F142 AromaticContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CG 4.26Å; F112-F142 AromaticContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CE2 4.22Å; V114-F142 HydrophobicContact CG1-CD1 3.97Å; V114-F142 HydrophobicContact CG1-CE1 4.28Å; V114-F142 HydrophobicContact CG1-CG 4.25Å; V114-F142 HydrophobicContact CG2-CD1 4.36Å; V114-F142 HydrophobicContact CG2-CD2 4.47Å; V114-F142 HydrophobicContact CG2-CE1 3.95Å; V114-F142 HydrophobicContact CG2-CE2 4.08Å; V114-F142 HydrophobicContact CG2-CZ 3.8Å; F131-F142 AromaticContact CD2-CE1 3.95Å; F131-F142 HydrophobicContact CD2-CE1 3.95Å; F131-F142 AromaticContact CD2-CZ 3.53Å; F131-F142 HydrophobicContact CD2-CZ 3.53Å; F131-F142 AromaticContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CG-CZ 4.46Å; N137-F142 PolarHBondContact ND2-O 2.84Å; N137-F142 PolarHBondContact OD1-N 2.89Å; G140-F142 PolarHBondContact O-N 2.87Å; F142-M144 HydrophobicContact CD1-CG 4.48Å; F142-M144 HydrophobicContact CD1-SD 3.5Å; F142-M144 WeakPolarHBondContact CD1-SD 3.39Å; F142-M144 HydrophobicContact CE1-SD 3.84Å; F142-M144 PolarHBondContact O-N 2.8Å; F142-G147 VanDerWaalsContact CZ-C 3.43Å; F142-F149 HydrophobicContact CD2-CB 3.93Å; F142-F149 HydrophobicContact CE2-CB 4.44Å; F142-F234 AromaticContact CE2-CD1 3.68Å; F142-F234 HydrophobicContact CE2-CD1 3.68Å; F142-F234 AromaticContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CZ-CD1 4.23Å
143D97.8Very high96.5Very high60 Ų6060.2 Ų60.232%0.32131%0.308SS..EExtended strand (participates in β ladder)trans-82.9108.5173-173.9-29.6000110.4F145 Q146 G147 K148D143-F145 VanDerWaalsContact C-N 3.3Å; D143-F145 PolarHBondContact O-N 2.91Å; D143-F145 WeakPolarHBondContact OD1-CA 3.47Å; D143-F145 WeakPolarHBondContact OD1-CB 3.46Å; D143-F145 PolarHBondContact OD1-N 2.86Å; D143-Q146 HydrophobicContact CB-CB 4.23Å; D143-Q146 PolarHBondContact OD1-N 3.3Å; D143-Q146 WeakPolarHBondContact OD2-CG 3.4Å; D143-G147 WeakPolarHBondContact O-CA 3.49Å; D143-G147 PolarHBondContact O-N 2.84Å; D143-K148 PolarHBondContact N-O 3.13Å; D143-K148 PolarHBondContact O-N 2.85Å
144M97Very high96.5Very high43 Ų4360.8 Ų60.821%0.21232%0.316CS..THydrogen-bonded Turntrans-69.6-23.2179.9-61.8-57.5-6300113.7V114 V130 F131 V134 F142V114-M144 HydrophobicContact CB-CE 4.38Å; V114-M144 HydrophobicContact CB-SD 4.38Å; V114-M144 HydrophobicContact CG1-CE 4.17Å; V114-M144 HydrophobicContact CG1-SD 3.63Å; V130-M144 WeakPolarHBondContact CG1-O 3.49Å; F131-M144 HydrophobicContact CB-CE 3.86Å; F131-M144 WeakPolarHBondContact O-CE 3.29Å; V134-M144 HydrophobicContact CG2-CE 3.55Å; V134-M144 HydrophobicContact CG2-CG 4.05Å; V134-M144 HydrophobicContact CG2-SD 3.59Å; V134-M144 VanDerWaalsContact CG2-SD 3.59Å; F142-M144 HydrophobicContact CD1-CG 4.48Å; F142-M144 HydrophobicContact CD1-SD 3.5Å; F142-M144 WeakPolarHBondContact CD1-SD 3.39Å; F142-M144 HydrophobicContact CE1-SD 3.84Å; F142-M144 PolarHBondContact O-N 2.8Å
145F96.5Very high96.5Very high192 Ų19257.6 Ų57.684%0.84230%0.298SS*.THydrogen-bonded Turntrans-81.6-39.5178.3-66.1-80.9000111.4D143D143-F145 VanDerWaalsContact C-N 3.3Å; D143-F145 PolarHBondContact O-N 2.91Å; D143-F145 WeakPolarHBondContact OD1-CA 3.47Å; D143-F145 WeakPolarHBondContact OD1-CB 3.46Å; D143-F145 PolarHBondContact OD1-N 2.86Å
146Q96.7Very high96.5Very high110 Ų11054.4 Ų54.451%0.51429%0.287SS..THydrogen-bonded Turntrans-87.8-19.5179.3-62.5-169.3-24.700113.3D143 K148D143-Q146 HydrophobicContact CB-CB 4.23Å; D143-Q146 PolarHBondContact OD1-N 3.3Å; D143-Q146 WeakPolarHBondContact OD2-CG 3.4Å; Q146-K148 HydrophobicContact CB-CB 4.37Å; Q146-K148 HydrophobicContact CB-CD 4.25Å; Q146-K148 HydrophobicContact CB-CG 3.98Å
147G97.8Very high96.5Very high0 Ų051.9 Ų51.90%027%0.272CS..THydrogen-bonded Turntrans70.533.6-173.500000112.7F142 D143 W211F142-G147 VanDerWaalsContact CZ-C 3.43Å; D143-G147 WeakPolarHBondContact O-CA 3.49Å; D143-G147 PolarHBondContact O-N 2.84Å; G147-W211 WeakPolarHBondContact O-CB 3.49Å
148K98.4Very high96.6Very high67 Ų6752.5 Ų52.529%0.29127%0.273SS..EExtended strand (participates in β ladder)trans-128133.1-172-57.1-171.3175.6-179.40111.8D143 Q146 W211D143-K148 PolarHBondContact N-O 3.13Å; D143-K148 PolarHBondContact O-N 2.85Å; Q146-K148 HydrophobicContact CB-CB 4.37Å; Q146-K148 HydrophobicContact CB-CD 4.25Å; Q146-K148 HydrophobicContact CB-CG 3.98Å; K148-W211 HydrophobicContact CB-CB 4.2Å; K148-W211 HydrophobicContact CD-CG 4.37Å; K148-W211 HydrophobicContact CG-CB 3.77Å; K148-W211 HydrophobicContact CG-CG 4.04Å
149F98.6Very high97.1Very high0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-79.4133.6161.7173.9-104.4000109.5S110 F112 D141 F142 C151 Y157 F159 L204 A209 V210S110-F149 WeakPolarHBondContact OG-CE2 3.38Å; S110-F149 WeakPolarHBondContact OG-CZ 3.44Å; F112-F149 HydrophobicContact CD1-CB 4.33Å; F112-F149 AromaticContact CD1-CD2 3.36Å; F112-F149 HydrophobicContact CD1-CD2 3.36Å; F112-F149 AromaticContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CG 4.04Å; F112-F149 HydrophobicContact CE1-CB 3.65Å; F112-F149 HydrophobicContact CE1-CD1 4.37Å; F112-F149 AromaticContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CE2 4.06Å; F112-F149 AromaticContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CG-CD2 4.45Å; F112-F149 HydrophobicContact CZ-CB 3.97Å; F112-F149 HydrophobicContact CZ-CD2 4.43Å; F112-F149 HydrophobicContact CZ-CG 4.32Å; D141-F149 HydrophobicContact CB-CD2 4.06Å; D141-F149 HydrophobicContact CB-CE2 3.57Å; D141-F149 HydrophobicContact CB-CZ 4.46Å; D141-F149 CarbonylContact O-C 3.57Å; D141-F149 WeakPolarHBondContact O-CA 3.36Å; F142-F149 HydrophobicContact CD2-CB 3.93Å; F142-F149 HydrophobicContact CE2-CB 4.44Å; F149-C151 HydrophobicContact CE1-CB 4.09Å; F149-Y157 HydrophobicContact CE1-CD1 4.24Å; F149-Y157 HydrophobicContact CE1-CE1 4.06Å; F149-Y157 HydrophobicContact CZ-CD1 4.1Å; F149-Y157 AromaticContact CZ-CE1 3.6Å; F149-Y157 HydrophobicContact CZ-CE1 3.6Å; F149-F159 HydrophobicContact CB-CE1 4.48Å; F149-F159 AromaticContact CD1-CE1 3.92Å; F149-F159 HydrophobicContact CD1-CE1 3.92Å; F149-F159 AromaticContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CE1-CE1 4.44Å; F149-F159 HydrophobicContact CE1-CZ 4.01Å; F149-F159 HydrophobicContact CG-CE1 4.24Å; F149-L204 HydrophobicContact CD1-CD1 4.27Å; F149-L204 HydrophobicContact CE1-CD1 3.78Å; F149-A209 CarbonylContact O-C 3.5Å; F149-A209 WeakPolarHBondContact O-CA 3.47Å; F149-V210 HydrophobicContact CB-CB 4.44Å; F149-V210 WeakPolarHBondContact CB-O 3.47Å; F149-V210 HydrophobicContact CD1-CB 4.27Å; F149-V210 HydrophobicContact CD1-CG2 4.43Å; F149-V210 PolarHBondContact N-O 2.64Å; F149-V210 PolarHBondContact O-N 2.96Å
150L98.1Very high97.4Very high94 Ų9445.3 Ų45.349%0.49224%0.235SC..EExtended strand (participates in β ladder)trans-112.9118.3173.4-172.668.9000109.5D141 R152 R207D141-L150 PolarHBondContact O-N 3.16Å; L150-R152 PolarHBondContact O-N 3.36Å; L150-R152 VanDerWaalsContact O-N 3.15Å; L150-R207 HydrophobicContact CD1-CB 4.43Å; L150-R207 WeakPolarHBondContact CD1-O 3.42Å
151C97.6Very high97.6Very high2 Ų242.9 Ų42.91%0.01421%0.21CC..  trans-67.2113.9-179.1-177.70000111F149 V153 L204 R205 P206 R207 D208F149-C151 HydrophobicContact CE1-CB 4.09Å; C151-V153 PolarHBondContact SG-O 3.26Å; C151-L204 HydrophobicContact CB-CB 4.02Å; C151-L204 HydrophobicContact CB-CD1 4.06Å; C151-L204 VanDerWaalsContact SG-CB 3.56Å; C151-R205 VanDerWaalsContact CB-O 3.3Å; C151-R205 WeakPolarHBondContact CB-O 3.44Å; C151-R205 PolarHBondContact SG-O 2.78Å; C151-P206 CarbonylContact O-C 3.58Å; C151-P206 WeakPolarHBondContact O-CA 3.47Å; C151-R207 PolarHBondContact O-N 3.35Å; C151-D208 HydrophobicContact CB-CB 4.23Å; C151-D208 VanDerWaalsContact CB-O 3.3Å; C151-D208 WeakPolarHBondContact CB-O 3.38Å; C151-D208 PolarHBondContact N-O 3.47Å
152R95.5Very high97.7Very high120 Ų12043.6 Ų43.645%0.45321%0.214SC..  trans-90.9-39.4171.6179.4172.55183.514.3112.5H109 D139 D141 L150H109-R152 PolarHBondContact O-NH2 3.19Å; H109-R152 VanDerWaalsContact O-NH2 3.15Å; D139-R152 IonicContact OD1-NH2 2.84Å; D139-R152 IonicContact OD2-NH2 2.92Å; D139-R152 PolarHBondContact OD2-NH2 3.44Å; D141-R152 WeakPolarHBondContact OD1-CB 3.44Å; D141-R152 IonicContact OD1-CZ 3.15Å; D141-R152 IonicContact OD1-NE 3.64Å; D141-R152 PolarHBondContact OD1-NE 2.99Å; D141-R152 IonicContact OD1-NH2 3.64Å; D141-R152 IonicContact OD2-CZ 3.86Å; D141-R152 IonicContact OD2-NE 3.55Å; D141-R152 PolarHBondContact OD2-NE 3.43Å; D141-R152 IonicContact OD2-NH2 3.89Å; D141-R152 PolarHBondContact OD2-NH2 3.15Å; L150-R152 PolarHBondContact O-N 3.36Å; L150-R152 VanDerWaalsContact O-N 3.15Å
153V95.4Very high97.7Very high23 Ų2343.5 Ų43.514%0.13921%0.213CC..SBendtrans-108.2120.3-178.1-179.10000109.3P108 C151 Y157 L238 A241P108-V153 HydrophobicContact CB-CG1 3.73Å; P108-V153 HydrophobicContact CB-CG2 4.03Å; P108-V153 HydrophobicContact CG-CG1 4Å; C151-V153 PolarHBondContact SG-O 3.26Å; V153-Y157 VanDerWaalsContact O-CE2 3.26Å; V153-Y157 WeakPolarHBondContact O-CE2 3.37Å; V153-Y157 PolarHBondContact O-OH 2.98Å; V153-L238 HydrophobicContact CB-CD2 4.22Å; V153-L238 HydrophobicContact CG1-CD2 3.8Å; V153-A241 HydrophobicContact CG1-CB 4.35Å
154A97Very high97.7Very high38 Ų3841.8 Ų41.831%0.31420%0.204SC..  trans-59.3140.7174.700000111.1L204 P206 G242A154-L204 WeakPolarHBondContact CA-O 3.27Å; A154-P206 HydrophobicContact CB-CG 4.13Å; A154-G242 PolarHBondContact O-N 3.21Å
155G97.2Very high97.8Very high6 Ų640.1 Ų40.16%0.06220%0.196CC..EExtended strand (participates in β ladder)trans155.2-166.5177.100000114.6E203 L204 K240G155-E203 WeakPolarHBondContact O-CA 3.32Å; G155-L204 PolarHBondContact N-O 2.99Å; G155-L204 PolarHBondContact O-N 2.94Å; G155-K240 CarbonylContact C-O 3.54Å; G155-K240 VanDerWaalsContact CA-O 3.25Å; G155-K240 WeakPolarHBondContact CA-O 3.41Å
156V98Very high97.8Very high44 Ų4434.7 Ų34.727%0.26717%0.17SC..EExtended strand (participates in β ladder)trans-98124.3179.1-177.20000109.6M201 I239 K240V156-M201 HydrophobicContact CG1-CE 3.56Å; V156-I239 WeakPolarHBondContact O-CB 3.3Å; V156-I239 PolarHBondContact O-N 3.22Å; V156-K240 PolarHBondContact N-O 2.95Å; V156-K240 PolarHBondContact O-N 2.88Å
157Y98.6Very high97.8Very high0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-115.4147.1-179.1-73.4-102.8000110.8F149 V153 F159 M201 L202 L204 Y237 L238F149-Y157 HydrophobicContact CE1-CD1 4.24Å; F149-Y157 HydrophobicContact CE1-CE1 4.06Å; F149-Y157 HydrophobicContact CZ-CD1 4.1Å; F149-Y157 AromaticContact CZ-CE1 3.6Å; F149-Y157 HydrophobicContact CZ-CE1 3.6Å; V153-Y157 VanDerWaalsContact O-CE2 3.26Å; V153-Y157 WeakPolarHBondContact O-CE2 3.37Å; V153-Y157 PolarHBondContact O-OH 2.98Å; Y157-F159 HydrophobicContact CD1-CZ 4.38Å; Y157-F159 HydrophobicContact CG-CE2 4.28Å; Y157-F159 HydrophobicContact CG-CZ 4.28Å; Y157-M201 CarbonylContact O-C 3.6Å; Y157-M201 WeakPolarHBondContact O-CA 3.32Å; Y157-L202 PolarHBondContact N-O 2.73Å; Y157-L202 PolarHBondContact O-N 3.11Å; Y157-L204 HydrophobicContact CD2-CB 4.04Å; Y157-L204 HydrophobicContact CD2-CD1 3.64Å; Y157-L204 HydrophobicContact CD2-CG 3.87Å; Y157-L204 HydrophobicContact CE2-CB 4.2Å; Y157-L204 HydrophobicContact CE2-CD1 4.12Å; Y157-L204 HydrophobicContact CE2-CG 4.46Å; Y157-L204 HydrophobicContact CG-CD1 3.89Å; Y157-L204 HydrophobicContact CG-CG 4.45Å; Y157-Y237 VanDerWaalsContact CA-O 3.31Å; Y157-Y237 WeakPolarHBondContact CA-O 3.43Å; Y157-L238 HydrophobicContact CD1-CB 4.13Å; Y157-L238 HydrophobicContact CD2-CD1 4.09Å; Y157-L238 HydrophobicContact CE1-CB 3.65Å; Y157-L238 HydrophobicContact CE1-CD1 4.2Å; Y157-L238 HydrophobicContact CE1-CG 4.49Å; Y157-L238 HydrophobicContact CE2-CD1 3.62Å
158F98.7Very high97.7Very high52 Ų5239.2 Ų39.223%0.22819%0.191CC..EExtended strand (participates in β ladder)trans-99.9134.9164.9177.1-92.2000109.4N160 M201 G236 Y237 I239F158-N160 HydrophobicContact CD1-CB 4.46Å; F158-N160 HydrophobicContact CE1-CB 3.57Å; F158-N160 HydrophobicContact CZ-CB 4.06Å; F158-M201 HydrophobicContact CB-CG 4.44Å; F158-M201 HydrophobicContact CD2-CG 3.99Å; F158-G236 WeakPolarHBondContact O-CA 3.47Å; F158-Y237 HydrophobicContact CB-CD1 4.45Å; F158-Y237 HydrophobicContact CB-CE1 3.92Å; F158-Y237 HydrophobicContact CB-CE2 4.21Å; F158-Y237 HydrophobicContact CD1-CD1 4.19Å; F158-Y237 AromaticContact CD1-CE1 3.39Å; F158-Y237 HydrophobicContact CD1-CE1 3.39Å; F158-Y237 AromaticContact CD1-CZ 3.86Å; F158-Y237 HydrophobicContact CE1-CE1 4.19Å; F158-Y237 AromaticContact CG-CE1 3.97Å; F158-Y237 HydrophobicContact CG-CE1 3.97Å; F158-Y237 PolarHBondContact N-O 3.46Å; F158-Y237 PolarHBondContact O-N 2.8Å; F158-I239 HydrophobicContact CB-CD1 3.58Å; F158-I239 HydrophobicContact CB-CG1 4.15Å
159F98.8Very high97.6Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-122.7140.3172-65-84.5000110.3F112 F149 Y157 S199 V200 L202 L204 V210 F234 N235F112-F159 HydrophobicContact CE1-CD1 4.2Å; F112-F159 AromaticContact CE1-CE1 3.71Å; F112-F159 HydrophobicContact CE1-CE1 3.71Å; F112-F159 AromaticContact CZ-CD1 3.94Å; F112-F159 HydrophobicContact CZ-CD1 3.94Å; F112-F159 AromaticContact CZ-CE1 3.84Å; F112-F159 HydrophobicContact CZ-CE1 3.84Å; F149-F159 HydrophobicContact CB-CE1 4.48Å; F149-F159 AromaticContact CD1-CE1 3.92Å; F149-F159 HydrophobicContact CD1-CE1 3.92Å; F149-F159 AromaticContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CE1-CE1 4.44Å; F149-F159 HydrophobicContact CE1-CZ 4.01Å; F149-F159 HydrophobicContact CG-CE1 4.24Å; Y157-F159 HydrophobicContact CD1-CZ 4.38Å; Y157-F159 HydrophobicContact CG-CE2 4.28Å; Y157-F159 HydrophobicContact CG-CZ 4.28Å; F159-S199 CarbonylContact O-C 3.53Å; F159-S199 WeakPolarHBondContact O-CA 3.39Å; F159-S199 WeakPolarHBondContact O-CB 3.23Å; F159-V200 HydrophobicContact CB-CG1 4.29Å; F159-V200 PolarHBondContact N-O 2.68Å; F159-V200 PolarHBondContact O-N 3.09Å; F159-L202 HydrophobicContact CD2-CB 4.42Å; F159-L202 HydrophobicContact CD2-CD1 3.99Å; F159-L202 HydrophobicContact CD2-CG 4.32Å; F159-L202 HydrophobicContact CE2-CB 4.27Å; F159-L202 HydrophobicContact CE2-CD1 4.18Å; F159-L204 HydrophobicContact CE2-CD1 3.91Å; F159-L204 HydrophobicContact CZ-CD1 3.76Å; F159-V210 HydrophobicContact CD1-CB 4.45Å; F159-V210 HydrophobicContact CD1-CG1 3.85Å; F159-V210 HydrophobicContact CD2-CG1 4.11Å; F159-V210 HydrophobicContact CE1-CB 3.83Å; F159-V210 HydrophobicContact CE1-CG1 3.73Å; F159-V210 HydrophobicContact CE1-CG2 4.27Å; F159-V210 HydrophobicContact CE2-CB 4.24Å; F159-V210 HydrophobicContact CE2-CG1 4.02Å; F159-V210 HydrophobicContact CE2-CG2 3.87Å; F159-V210 HydrophobicContact CG-CG1 4.03Å; F159-V210 HydrophobicContact CZ-CB 3.74Å; F159-V210 HydrophobicContact CZ-CG1 3.85Å; F159-V210 HydrophobicContact CZ-CG2 3.65Å; F159-F234 HydrophobicContact CB-CE2 4.25Å; F159-F234 HydrophobicContact CD1-CE2 4.09Å; F159-F234 AromaticContact CD1-CZ 3.87Å; F159-F234 HydrophobicContact CD1-CZ 3.87Å; F159-N235 CarbonylContact C-O 3.6Å; F159-N235 VanDerWaalsContact CA-O 3.32Å; F159-N235 WeakPolarHBondContact CA-O 3.4Å
160N98.4Very high97.5Very high26 Ų2638.5 Ų38.514%0.13919%0.188CC..EExtended strand (participates in β ladder)trans-136.3135.9173.3154.5-99.8000109.8F158 N162 Q198 F234 N235F158-N160 HydrophobicContact CD1-CB 4.46Å; F158-N160 HydrophobicContact CE1-CB 3.57Å; F158-N160 HydrophobicContact CZ-CB 4.06Å; N160-N162 PolarHBondContact ND2-OD1 2.62Å; N160-N162 PolarHBondContact OD1-ND2 2.93Å; N160-Q198 WeakPolarHBondContact CA-O 3.44Å; N160-Q198 PolarHBondContact ND2-O 2.92Å; N160-F234 WeakPolarHBondContact O-CA 3.23Å; N160-F234 WeakPolarHBondContact O-CD2 3.21Å; N160-N235 PolarHBondContact N-O 3.32Å; N160-N235 PolarHBondContact O-N 2.93Å; N160-N235 PolarHBondContact OD1-ND2 3.44Å
161V98.6Very high97.5Very high0 Ų034 Ų340%017%0.165CC..EExtended strand (participates in β ladder)trans-121.6134.7169.9680000108.9I163 I175 V185 S197 Q198 V212 T233 F234V161-I163 HydrophobicContact CG2-CD1 3.77Å; V161-I163 HydrophobicContact CG2-CG1 3.89Å; V161-I175 HydrophobicContact CG1-CD1 3.91Å; V161-I175 HydrophobicContact CG1-CG1 4.17Å; V161-V185 HydrophobicContact CG1-CG2 3.53Å; V161-S197 WeakPolarHBondContact O-CA 3.38Å; V161-Q198 HydrophobicContact CG1-CB 4.07Å; V161-Q198 PolarHBondContact N-O 2.98Å; V161-Q198 PolarHBondContact O-N 2.82Å; V161-V212 HydrophobicContact CG2-CG2 4.13Å; V161-T233 WeakPolarHBondContact CA-O 3.22Å; V161-F234 HydrophobicContact CB-CD2 4.06Å; V161-F234 HydrophobicContact CG2-CD2 4.41Å
162N98.4Very high97.6Very high35 Ų3536.5 Ų36.519%0.18717%0.174CC..EExtended strand (participates in β ladder)trans-121.5135.2171.3-48-59000108.5N160 Q196 S197 I232 T233N160-N162 PolarHBondContact ND2-OD1 2.62Å; N160-N162 PolarHBondContact OD1-ND2 2.93Å; N162-Q196 CarbonylContact C-O 3.56Å; N162-Q196 WeakPolarHBondContact CA-O 3.26Å; N162-S197 VanDerWaalsContact OD1-CB 3.22Å; N162-S197 WeakPolarHBondContact OD1-CB 3.49Å; N162-S197 PolarHBondContact OD1-OG 3.02Å; N162-I232 WeakPolarHBondContact O-CA 3.39Å; N162-T233 WeakPolarHBondContact CB-OG1 3.33Å; N162-T233 PolarHBondContact N-O 3.17Å; N162-T233 PolarHBondContact ND2-OG1 3.11Å; N162-T233 PolarHBondContact O-N 2.87Å
163I98.2Very high97.7Very high1 Ų130.8 Ų30.81%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-141.4134.7-170.4-56.9-69.9000109.1V161 T171 L173 M195 Q196 I223 I232V161-I163 HydrophobicContact CG2-CD1 3.77Å; V161-I163 HydrophobicContact CG2-CG1 3.89Å; I163-T171 HydrophobicContact CG2-CG2 3.94Å; I163-L173 HydrophobicContact CB-CD1 4.44Å; I163-L173 HydrophobicContact CD1-CD1 4.12Å; I163-L173 HydrophobicContact CG1-CD1 3.79Å; I163-L173 HydrophobicContact CG2-CD1 4.11Å; I163-M195 VanDerWaalsContact C-SD 3.52Å; I163-M195 VanDerWaalsContact O-SD 3.37Å; I163-Q196 PolarHBondContact N-O 2.94Å; I163-Q196 PolarHBondContact O-N 2.84Å; I163-I223 HydrophobicContact CG2-CB 3.88Å; I163-I223 HydrophobicContact CG2-CG2 3.43Å; I163-I223 VanDerWaalsContact CG2-CG2 3.43Å; I163-I232 HydrophobicContact CD1-CB 4.47Å; I163-I232 HydrophobicContact CD1-CG1 4.28Å; I163-I232 HydrophobicContact CD1-CG2 3.74Å
164H98.3Very high97.8Very high25 Ų2530.2 Ų30.212%0.11615%0.148CC..EExtended strand (participates in β ladder)trans-93.8125.7167.8-172.3-178.7000109.7S193 I194 M195 Y224 Y231H164-S193 WeakPolarHBondContact NE2-CB 3.48Å; H164-S193 PolarHBondContact NE2-OG 2.83Å; H164-I194 PolarHBondContact CD2-O 3.16Å; H164-M195 HydrophobicContact CB-CE 3.84Å; H164-M195 HydrophobicContact CB-SD 4.22Å; H164-Y224 AromaticContact CE1-CD1 3.76Å; H164-Y224 AromaticContact ND1-CD1 3.45Å; H164-Y224 WeakPolarHBondContact ND1-CD1 3.42Å; H164-Y224 PolarHBondContact O-N 3.33Å; H164-Y231 HydrophobicContact CB-CD1 4.33Å; H164-Y231 HydrophobicContact CB-CG 4.09Å; H164-Y231 AromaticContact ND1-CD1 3.4Å; H164-Y231 WeakPolarHBondContact ND1-CD1 3.4Å; H164-Y231 AromaticContact ND1-CE1 3.72Å; H164-Y231 AromaticContact ND1-CG 3.53Å
165T98Very high97.9Very high8 Ų828.4 Ų28.45%0.04913%0.133CC..EExtended strand (participates in β ladder)trans-71.5151.7-18067.80000111.2T171 A187 S193 I194 Q196T165-T171 HydrophobicContact CG2-CG2 4.42Å; T165-A187 HydrophobicContact CG2-CB 3.7Å; T165-S193 WeakPolarHBondContact O-CB 3.48Å; T165-S193 WeakPolarHBondContact OG1-CA 3.22Å; T165-I194 HydrophobicContact CG2-CG1 3.87Å; T165-I194 PolarHBondContact N-O 3.07Å; T165-I194 PolarHBondContact OG1-N 2.93Å; T165-I194 PolarHBondContact OG1-O 3.38Å; T165-Q196 HydrophobicContact CG2-CG 3.85Å
166W97.1Very high98Very high78 Ų7828.1 Ų28.130%0.29513%0.13SC..PPolyproline II helixtrans-96.5133.6177.9-173.4-67.2000110.4S119 F168 K169 A222 Y224S119-W166 VanDerWaalsContact CB-CZ3 3.44Å; S119-W166 WeakPolarHBondContact OG-CZ3 3.18Å; W166-F168 PolarHBondContact O-N 3.47Å; W166-K169 HydrophobicContact CB-CB 4.11Å; W166-K169 HydrophobicContact CG-CB 4.32Å; W166-K169 HydrophobicContact CG-CG 4.22Å; W166-K169 PolarHBondContact O-N 3Å; W166-K169 VanDerWaalsContact O-N 3.11Å; W166-A222 HydrophobicContact CB-CB 3.95Å; W166-A222 HydrophobicContact CG-CB 4.19Å; W166-Y224 HydrophobicContact CD2-CD2 4.06Å; W166-Y224 AromaticContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CG 4.11Å; W166-Y224 HydrophobicContact CH2-CD2 4.18Å; W166-Y224 AromaticContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CE2 4.25Å; W166-Y224 HydrophobicContact CZ3-CG 4.47Å
167N96.4Very high98Very high65 Ų6526.9 Ų26.935%0.34812%0.122SC..THydrogen-bonded Turntrans-56.4132.8-178.9-72.6-6.8000112K169 S190 D191 S193N167-K169 PolarHBondContact O-N 2.87Å; N167-S190 CarbonylContact C-O 3.59Å; N167-S190 WeakPolarHBondContact CA-O 3.47Å; N167-D191 PolarHBondContact ND2-O 2.92Å; N167-D191 PolarHBondContact OD1-O 2.88Å; N167-S193 WeakPolarHBondContact OD1-CA 3.48Å; N167-S193 WeakPolarHBondContact OD1-CB 3.32Å; N167-S193 PolarHBondContact OD1-N 3.07Å
168F96.6Very high98Very high139 Ų13929.5 Ų29.561%0.6114%0.136SC*.THydrogen-bonded Turntrans62.612.4-179.6-44.6-76000115W166 S190 D191W166-F168 PolarHBondContact O-N 3.47Å; F168-S190 PolarHBondContact N-O 2.85Å; F168-D191 HydrophobicContact CD1-CB 4.34Å; F168-D191 HydrophobicContact CE1-CB 3.45Å; F168-D191 VanDerWaalsContact CE1-CB 3.45Å; F168-D191 HydrophobicContact CZ-CB 3.7Å
169K97Very high97.9Very high40 Ų4033.8 Ų33.817%0.17416%0.161CC..SBendtrans-118.4149.6175-66.7-69.5172.1-1780110.5W166 N167 P189 R219 E220 A222W166-K169 HydrophobicContact CB-CB 4.11Å; W166-K169 HydrophobicContact CG-CB 4.32Å; W166-K169 HydrophobicContact CG-CG 4.22Å; W166-K169 PolarHBondContact O-N 3Å; W166-K169 VanDerWaalsContact O-N 3.11Å; N167-K169 PolarHBondContact O-N 2.87Å; K169-P189 WeakPolarHBondContact O-CA 3.47Å; K169-R219 WeakPolarHBondContact CD-O 3.2Å; K169-R219 WeakPolarHBondContact CE-O 3.34Å; K169-R219 PolarHBondContact NZ-O 2.77Å; K169-E220 IonicContact NZ-OE1 2.82Å; K169-E220 PolarHBondContact NZ-OE1 2.97Å; K169-E220 IonicContact NZ-OE2 3.56Å; K169-E220 PolarHBondContact NZ-OE2 2.87Å; K169-A222 HydrophobicContact CB-CB 3.97Å; K169-A222 HydrophobicContact CG-CB 4.18Å
170E96.6Very high97.9Very high13 Ų1337 Ų376%0.06118%0.181CC..BIsolated β-bridgetrans-71.2147.4171.1-170-179.9-119.200108.4Y186 P189 R217 E220 N221 A222E170-Y186 HydrophobicContact CG-CE2 3.91Å; E170-Y186 WeakPolarHBondContact OE1-CE2 3.36Å; E170-Y186 PolarHBondContact OE1-OH 3.35Å; E170-P189 HydrophobicContact CB-CG 4.12Å; E170-R217 IonicContact OE1-CZ 3.65Å; E170-R217 IonicContact OE1-NH1 2.85Å; E170-R217 PolarHBondContact OE1-NH1 2.98Å; E170-R217 WeakPolarHBondContact OE2-CD 3.34Å; E170-R217 IonicContact OE2-CZ 3.33Å; E170-R217 IonicContact OE2-NE 3.56Å; E170-R217 IonicContact OE2-NH1 2.64Å; E170-R217 PolarHBondContact OE2-NH1 2.85Å; E170-E220 PolarHBondContact N-O 2.66Å; E170-N221 CarbonylContact O-C 3.54Å; E170-N221 VanDerWaalsContact O-CA 3.27Å; E170-N221 WeakPolarHBondContact O-CA 3.32Å; E170-N221 PolarHBondContact O-OD1 3.05Å; E170-A222 PolarHBondContact O-N 2.85Å
171T98.1Very high97.8Very high0 Ų039.9 Ų39.90%019%0.193CC..EExtended strand (participates in β ladder)trans-116.4112.4165.2-65.30000107.5I163 T165 L173 Y186 A187 N221 A222 I223I163-T171 HydrophobicContact CG2-CG2 3.94Å; T165-T171 HydrophobicContact CG2-CG2 4.42Å; T171-L173 HydrophobicContact CG2-CD1 3.72Å; T171-Y186 CarbonylContact O-C 3.47Å; T171-Y186 VanDerWaalsContact O-CA 3.23Å; T171-Y186 WeakPolarHBondContact O-CA 3.17Å; T171-A187 PolarHBondContact N-O 3.43Å; T171-A187 PolarHBondContact O-N 2.97Å; T171-N221 WeakPolarHBondContact CA-OD1 3.36Å; T171-A222 PolarHBondContact OG1-O 3.32Å; T171-I223 HydrophobicContact CG2-CG2 4.02Å
172Y97.9Very high97.8Very high54 Ų5445.1 Ų45.121%0.21221%0.213CC..EExtended strand (participates in β ladder)trans-137.5108-179.9-166.9176.8000110.5H174 I184 V185 Y186 F215 N221Y172-H174 AromaticContact CE2-CD2 3.6Å; Y172-H174 AromaticContact CE2-NE2 3.23Å; Y172-H174 WeakPolarHBondContact CE2-NE2 3.35Å; Y172-H174 AromaticContact CZ-NE2 3.62Å; Y172-I184 HydrophobicContact CE2-CB 4.3Å; Y172-I184 HydrophobicContact CE2-CG2 4.2Å; Y172-V185 WeakPolarHBondContact CA-O 3.23Å; Y172-Y186 HydrophobicContact CD1-CD2 4.21Å; Y172-Y186 HydrophobicContact CD1-CE2 4.39Å; Y172-Y186 HydrophobicContact CD2-CD2 4.21Å; Y172-Y186 AromaticContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CE2 4.49Å; Y172-F215 HydrophobicContact CD1-CB 3.94Å; Y172-F215 HydrophobicContact CD1-CD1 4.03Å; Y172-F215 HydrophobicContact CD1-CD2 4.07Å; Y172-F215 AromaticContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD2-CB 4.32Å; Y172-F215 HydrophobicContact CE1-CD1 4.31Å; Y172-F215 AromaticContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CE2 4.07Å; Y172-F215 AromaticContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CZ 4.42Å; Y172-F215 HydrophobicContact CE2-CD2 4.42Å; Y172-F215 HydrophobicContact CG-CB 3.8Å; Y172-F215 HydrophobicContact CG-CD2 4.46Å; Y172-F215 HydrophobicContact CG-CG 4.11Å; Y172-F215 VanDerWaalsContact O-CB 3.32Å; Y172-F215 WeakPolarHBondContact O-CB 3.33Å; Y172-F215 PolarHBondContact O-N 2.85Å; Y172-N221 PolarHBondContact N-OD1 2.64Å; Y172-N221 PolarHBondContact O-ND2 2.91Å
173L98.1Very high97.8Very high0 Ų044.4 Ų44.40%021%0.212CC..EExtended strand (participates in β ladder)trans-128156.2178-52.8124000111.1V129 I163 T171 I184 V185 V212 R213 L214 I223V129-L173 HydrophobicContact CG2-CD2 3.7Å; I163-L173 HydrophobicContact CB-CD1 4.44Å; I163-L173 HydrophobicContact CD1-CD1 4.12Å; I163-L173 HydrophobicContact CG1-CD1 3.79Å; I163-L173 HydrophobicContact CG2-CD1 4.11Å; T171-L173 HydrophobicContact CG2-CD1 3.72Å; L173-I184 CarbonylContact O-C 3.58Å; L173-I184 WeakPolarHBondContact O-CA 3.33Å; L173-V185 HydrophobicContact CB-CB 4.2Å; L173-V185 HydrophobicContact CB-CG2 4.43Å; L173-V185 HydrophobicContact CD1-CB 3.98Å; L173-V185 HydrophobicContact CD1-CG1 4.24Å; L173-V185 PolarHBondContact N-O 3.49Å; L173-V185 PolarHBondContact O-N 3.47Å; L173-V212 HydrophobicContact CB-CG1 4.07Å; L173-V212 HydrophobicContact CD2-CG1 3.73Å; L173-V212 HydrophobicContact CG-CG1 4.48Å; L173-R213 CarbonylContact C-O 3.58Å; L173-R213 VanDerWaalsContact CA-O 3.26Å; L173-R213 WeakPolarHBondContact CA-O 3.27Å; L173-L214 HydrophobicContact CD2-CB 4.3Å; L173-L214 HydrophobicContact CD2-CD1 3.54Å; L173-L214 HydrophobicContact CG-CD1 3.89Å; L173-I223 HydrophobicContact CD1-CG2 3.88Å; L173-I223 HydrophobicContact CD2-CG2 4.16Å; L173-I223 HydrophobicContact CG-CG2 4.38Å
174H98.4Very high97.8Very high10 Ų1048.2 Ų48.25%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-115139.1169.3-57.8165.1000110.6Y172 M176 E181 A183 V212 R213 F215Y172-H174 AromaticContact CE2-CD2 3.6Å; Y172-H174 AromaticContact CE2-NE2 3.23Å; Y172-H174 WeakPolarHBondContact CE2-NE2 3.35Å; Y172-H174 AromaticContact CZ-NE2 3.62Å; H174-M176 HydrophobicContact CB-CG 4.31Å; H174-M176 HydrophobicContact CB-SD 3.49Å; H174-M176 WeakPolarHBondContact CB-SD 3.37Å; H174-E181 HydrophobicContact CB-CG 4.21Å; H174-E181 WeakPolarHBondContact ND1-CG 3.32Å; H174-E181 IonicContact ND1-OE1 2.87Å; H174-A183 CarbonylContact C-O 3.29Å; H174-A183 WeakPolarHBondContact CA-O 3.18Å; H174-V212 CarbonylContact O-C 3.27Å; H174-V212 WeakPolarHBondContact O-CA 3.44Å; H174-R213 HydrophobicContact CB-CB 4.4Å; H174-R213 PolarHBondContact CE1-NH2 2.86Å; H174-R213 VanDerWaalsContact CE1-NH2 3.28Å; H174-R213 PolarHBondContact N-O 3.03Å; H174-R213 PolarHBondContact ND1-NH2 2.89Å; H174-R213 PolarHBondContact O-N 3.32Å; H174-F215 AromaticContact CE1-CD2 3.77Å; H174-F215 AromaticContact NE2-CD2 3.85Å
175I98.6Very high97.8Very high0 Ų047.2 Ų47.20%023%0.227CC..EExtended strand (participates in β ladder)trans-83.9117.4157.2-53.3-179.1000106.4V161 R182 A183 Q198 V200 V210V161-I175 HydrophobicContact CG1-CD1 3.91Å; V161-I175 HydrophobicContact CG1-CG1 4.17Å; I175-R182 PolarHBondContact O-N 2.85Å; I175-A183 HydrophobicContact CB-CB 4.29Å; I175-A183 HydrophobicContact CD1-CB 4.19Å; I175-A183 HydrophobicContact CG1-CB 4.4Å; I175-A183 PolarHBondContact N-O 2.84Å; I175-A183 PolarHBondContact O-N 2.91Å; I175-Q198 HydrophobicContact CD1-CB 4.43Å; I175-Q198 HydrophobicContact CD1-CG 4.13Å; I175-V200 HydrophobicContact CD1-CG1 4.06Å; I175-V200 HydrophobicContact CG2-CG1 4.03Å; I175-V210 HydrophobicContact CG2-CG1 4.22Å
176M98.6Very high97.8Very high0 Ų051.4 Ų51.40%024%0.243CC..EExtended strand (participates in β ladder)trans-101.4140.1-175.8-57.5-60.2-58.300110.3H174 T180 E181 V210 W211 R213H174-M176 HydrophobicContact CB-CG 4.31Å; H174-M176 HydrophobicContact CB-SD 3.49Å; H174-M176 WeakPolarHBondContact CB-SD 3.37Å; M176-T180 WeakPolarHBondContact CA-O 3.26Å; M176-E181 HydrophobicContact CE-CG 4.08Å; M176-E181 HydrophobicContact SD-CB 4.34Å; M176-E181 HydrophobicContact SD-CG 3.8Å; M176-V210 VanDerWaalsContact O-CA 3.29Å; M176-V210 WeakPolarHBondContact O-CA 3.41Å; M176-V210 WeakPolarHBondContact O-CG1 3.37Å; M176-W211 HydrophobicContact CB-CD2 3.92Å; M176-W211 HydrophobicContact CB-CG 4.01Å; M176-W211 HydrophobicContact CB-CZ2 4.12Å; M176-W211 WeakPolarHBondContact CB-O 3.38Å; M176-W211 HydrophobicContact CE-CZ2 4.47Å; M176-W211 HydrophobicContact CG-CD2 3.96Å; M176-W211 HydrophobicContact CG-CE3 4.31Å; M176-W211 HydrophobicContact CG-CH2 4.21Å; M176-W211 HydrophobicContact CG-CZ2 3.82Å; M176-W211 HydrophobicContact CG-CZ3 4.44Å; M176-W211 PolarHBondContact N-O 2.95Å; M176-W211 PolarHBondContact O-N 2.94Å; M176-W211 VanDerWaalsContact O-N 3.16Å; M176-R213 HydrophobicContact CG-CB 3.65Å; M176-R213 HydrophobicContact SD-CB 4.07Å
177Q98.6Very high97.8Very high18 Ų1848.2 Ų48.28%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-114.3114.6158.5-178.2-175.110.300107.4D179 T180 R182 L202 E203 L204 D208 A209Q177-D179 PolarHBondContact O-N 2.87Å; Q177-D179 VanDerWaalsContact O-N 3.12Å; Q177-T180 PolarHBondContact N-O 3.28Å; Q177-T180 PolarHBondContact O-N 2.81Å; Q177-R182 HydrophobicContact CB-CG 3.66Å; Q177-R182 VanDerWaalsContact OE1-CZ 3.25Å; Q177-L202 HydrophobicContact CB-CD1 4.34Å; Q177-E203 PolarHBondContact NE2-O 2.86Å; Q177-E203 VanDerWaalsContact NE2-O 3.14Å; Q177-L204 HydrophobicContact CG-CD2 4.05Å; Q177-D208 PolarHBondContact NE2-OD2 2.82Å; Q177-A209 CarbonylContact C-O 3.56Å; Q177-A209 WeakPolarHBondContact CA-O 3.48Å
178N98.1Very high97.8Very high56 Ų5652.1 Ų52.130%0.29925%0.249SC..THydrogen-bonded Turntrans53-114.7-169.3-57-35.9000109.5D208 A209 W211N178-D208 PolarHBondContact ND2-OD1 3.25Å; N178-D208 WeakPolarHBondContact OD1-CA 3.21Å; N178-A209 PolarHBondContact N-O 3.46Å; N178-A209 PolarHBondContact OD1-N 2.9Å; N178-W211 PolarHBondContact O-NE1 3.48Å
179D97.3Very high97.8Very high142 Ų14249.1 Ų49.176%0.75924%0.244SC*.THydrogen-bonded Turntrans-101.50.8179.5-59.6-54000113.7Q177Q177-D179 PolarHBondContact O-N 2.87Å; Q177-D179 VanDerWaalsContact O-N 3.12Å
180T98Very high97.8Very high67 Ų6749.7 Ų49.741%0.41125%0.253SS..EExtended strand (participates in β ladder)trans-103.5134.4-178.9-43.70000112.3M176 Q177M176-T180 WeakPolarHBondContact CA-O 3.26Å; Q177-T180 PolarHBondContact N-O 3.28Å; Q177-T180 PolarHBondContact O-N 2.81Å
181E97.8Very high97.8Very high87 Ų8754.6 Ų54.641%0.40728%0.279SS..EExtended strand (participates in β ladder)trans-68.9129171-58.177.2-173.600110.5H174 M176 R213H174-E181 HydrophobicContact CB-CG 4.21Å; H174-E181 WeakPolarHBondContact ND1-CG 3.32Å; H174-E181 IonicContact ND1-OE1 2.87Å; M176-E181 HydrophobicContact CE-CG 4.08Å; M176-E181 HydrophobicContact SD-CB 4.34Å; M176-E181 HydrophobicContact SD-CG 3.8Å; E181-R213 IonicContact OE1-CZ 3.82Å; E181-R213 VanDerWaalsContact OE1-CZ 3.29Å; E181-R213 IonicContact OE1-NH1 3.42Å; E181-R213 PolarHBondContact OE1-NH1 2.83Å; E181-R213 VanDerWaalsContact OE1-NH1 3.13Å; E181-R213 IonicContact OE1-NH2 4Å; E181-R213 PolarHBondContact OE1-NH2 2.64Å
182R98.3Very high97.7Very high110 Ų11063.7 Ų63.742%0.41531%0.314SS..EExtended strand (participates in β ladder)trans-107.9-39.8178.8-65.6-57.6-172.1-132.5-3.7113.4I175 Q177 L202I175-R182 PolarHBondContact O-N 2.85Å; Q177-R182 HydrophobicContact CB-CG 3.66Å; Q177-R182 VanDerWaalsContact OE1-CZ 3.25Å; R182-L202 HydrophobicContact CB-CD2 4.04Å; R182-L202 HydrophobicContact CG-CD1 4.2Å; R182-L202 HydrophobicContact CG-CD2 3.8Å
183A98.1Very high97.6Very high19 Ų1963 Ų6316%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-147.6158.8177.400000109.9H174 I175 Q198 V200H174-A183 CarbonylContact C-O 3.29Å; H174-A183 WeakPolarHBondContact CA-O 3.18Å; I175-A183 HydrophobicContact CB-CB 4.29Å; I175-A183 HydrophobicContact CD1-CB 4.19Å; I175-A183 HydrophobicContact CG1-CB 4.4Å; I175-A183 PolarHBondContact N-O 2.84Å; I175-A183 PolarHBondContact O-N 2.91Å; A183-Q198 HydrophobicContact CB-CG 4.09Å; A183-V200 HydrophobicContact CB-CB 4.43Å
184I97.9Very high97.6Very high82 Ų8266.5 Ų66.542%0.42134%0.335SS..EExtended strand (participates in β ladder)trans-116.1145.2178.165.5170.1000110.5Y172 L173 Q198Y172-I184 HydrophobicContact CE2-CB 4.3Å; Y172-I184 HydrophobicContact CE2-CG2 4.2Å; L173-I184 CarbonylContact O-C 3.58Å; L173-I184 WeakPolarHBondContact O-CA 3.33Å; I184-Q198 PolarHBondContact O-NE2 3.2Å
185V98.1Very high97.5Very high4 Ų470.6 Ų70.62%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-110.9117.2163-169.40000105.8V161 Y172 L173 Q196 Q198V161-V185 HydrophobicContact CG1-CG2 3.53Å; Y172-V185 WeakPolarHBondContact CA-O 3.23Å; L173-V185 HydrophobicContact CB-CB 4.2Å; L173-V185 HydrophobicContact CB-CG2 4.43Å; L173-V185 HydrophobicContact CD1-CB 3.98Å; L173-V185 HydrophobicContact CD1-CG1 4.24Å; L173-V185 PolarHBondContact N-O 3.49Å; L173-V185 PolarHBondContact O-N 3.47Å; V185-Q196 HydrophobicContact CG1-CB 3.98Å; V185-Q198 HydrophobicContact CG2-CB 3.7Å; V185-Q198 HydrophobicContact CG2-CG 4.38Å
186Y97.4Very high97.5Very high95 Ų9573.2 Ų73.237%0.37337%0.367SS..EExtended strand (participates in β ladder)trans-135.2132.1-174.8-178.3-100.9000111.6E170 T171 Y172 Q188E170-Y186 HydrophobicContact CG-CE2 3.91Å; E170-Y186 WeakPolarHBondContact OE1-CE2 3.36Å; E170-Y186 PolarHBondContact OE1-OH 3.35Å; T171-Y186 CarbonylContact O-C 3.47Å; T171-Y186 VanDerWaalsContact O-CA 3.23Å; T171-Y186 WeakPolarHBondContact O-CA 3.17Å; Y172-Y186 HydrophobicContact CD1-CD2 4.21Å; Y172-Y186 HydrophobicContact CD1-CE2 4.39Å; Y172-Y186 HydrophobicContact CD2-CD2 4.21Å; Y172-Y186 AromaticContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CE2 4.49Å; Y186-Q188 HydrophobicContact CE1-CG 3.71Å; Y186-Q188 WeakPolarHBondContact OH-CG 3.16Å
187A97.6Very high97.4Very high11 Ų1176.5 Ų76.59%0.09139%0.39CS..EExtended strand (participates in β ladder)trans-142.1137.4166.600000110.2T165 T171 Q196T165-A187 HydrophobicContact CG2-CB 3.7Å; T171-A187 PolarHBondContact N-O 3.43Å; T171-A187 PolarHBondContact O-N 2.97Å; A187-Q196 HydrophobicContact CB-CG 4.2Å
188Q96.1Very high97.4Very high147 Ų14778.9 Ų78.969%0.68740%0.401SS*.  trans-70.3152.5174-66.2177.519.200110.6Y186 S190Y186-Q188 HydrophobicContact CE1-CG 3.71Å; Y186-Q188 WeakPolarHBondContact OH-CG 3.16Å; Q188-S190 PolarHBondContact O-N 3.06Å
189P96.9Very high97.4Very high76 Ų7679 Ų7949%0.49441%0.407SS..  trans-54.4132.7171.7-22.431.7000111.7K169 E170K169-P189 WeakPolarHBondContact O-CA 3.47Å; E170-P189 HydrophobicContact CB-CG 4.12Å
190S96.6Very high97.5Very high52 Ų5273.7 Ų73.736%0.36438%0.379SS..  trans-145.3150.4-178.6177.20000110N167 F168 Q188 R192N167-S190 CarbonylContact C-O 3.59Å; N167-S190 WeakPolarHBondContact CA-O 3.47Å; F168-S190 PolarHBondContact N-O 2.85Å; Q188-S190 PolarHBondContact O-N 3.06Å; S190-R192 PolarHBondContact O-N 2.99Å; S190-R192 PolarHBondContact OG-N 2.93Å; S190-R192 PolarHBondContact OG-O 2.94Å
191D96.6Very high97.5Very high117 Ų11775.7 Ų75.763%0.62639%0.385SS*.SBendtrans-70.5-17.7172.765.6-13.7000112.7N167 F168N167-D191 PolarHBondContact ND2-O 2.92Å; N167-D191 PolarHBondContact OD1-O 2.88Å; F168-D191 HydrophobicContact CD1-CB 4.34Å; F168-D191 HydrophobicContact CE1-CB 3.45Å; F168-D191 VanDerWaalsContact CE1-CB 3.45Å; F168-D191 HydrophobicContact CZ-CB 3.7Å
192R96.5Very high97.5Very high190 Ų19072.2 Ų72.272%0.71737%0.369SS*.SBendtrans-111.4115175.6-176.5179.2-179.8-177.60.9110.9S190S190-R192 PolarHBondContact O-N 2.99Å; S190-R192 PolarHBondContact OG-N 2.93Å; S190-R192 PolarHBondContact OG-O 2.94Å
193S96.1Very high97.5Very high40 Ų4074.1 Ų74.128%0.2838%0.383SS..  trans-65.2145.9169.964.20000111.6H164 T165 N167H164-S193 WeakPolarHBondContact NE2-CB 3.48Å; H164-S193 PolarHBondContact NE2-OG 2.83Å; T165-S193 WeakPolarHBondContact O-CB 3.48Å; T165-S193 WeakPolarHBondContact OG1-CA 3.22Å; N167-S193 WeakPolarHBondContact OD1-CA 3.48Å; N167-S193 WeakPolarHBondContact OD1-CB 3.32Å; N167-S193 PolarHBondContact OD1-N 3.07Å
194I97.4Very high97.5Very high74 Ų7473.3 Ų73.338%0.37938%0.376SS..  trans-136.3159.8179.460.3179.4000110.3H164 T165 Q196H164-I194 PolarHBondContact CD2-O 3.16Å; T165-I194 HydrophobicContact CG2-CG1 3.87Å; T165-I194 PolarHBondContact N-O 3.07Å; T165-I194 PolarHBondContact OG1-N 2.93Å; T165-I194 PolarHBondContact OG1-O 3.38Å; I194-Q196 HydrophobicContact CD1-CG 4.34Å; I194-Q196 HydrophobicContact CG1-CG 4.27Å
195M97.6Very high97.5Very high95 Ų9578.2 Ų78.247%0.46839%0.389SS..EExtended strand (participates in β ladder)trans-85131.8168.5-165.959.961.300109.4I163 H164 Y231I163-M195 VanDerWaalsContact C-SD 3.52Å; I163-M195 VanDerWaalsContact O-SD 3.37Å; H164-M195 HydrophobicContact CB-CE 3.84Å; H164-M195 HydrophobicContact CB-SD 4.22Å; M195-Y231 HydrophobicContact CE-CD1 3.84Å
196Q97.6Very high97.4Very high56 Ų5681.7 Ų81.726%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-120.7133.5176.3-75.6-64.4-43.100109.5N162 I163 T165 V185 A187 I194N162-Q196 CarbonylContact C-O 3.56Å; N162-Q196 WeakPolarHBondContact CA-O 3.26Å; I163-Q196 PolarHBondContact N-O 2.94Å; I163-Q196 PolarHBondContact O-N 2.84Å; T165-Q196 HydrophobicContact CG2-CG 3.85Å; V185-Q196 HydrophobicContact CG1-CB 3.98Å; A187-Q196 HydrophobicContact CB-CG 4.2Å; I194-Q196 HydrophobicContact CD1-CG 4.34Å; I194-Q196 HydrophobicContact CG1-CG 4.27Å
197S97.3Very high97.4Very high68 Ų6887.2 Ų87.248%0.47643%0.432SS..EExtended strand (participates in β ladder)trans-128.8139.2-179.4-65.80000109.2V161 N162V161-S197 WeakPolarHBondContact O-CA 3.38Å; N162-S197 VanDerWaalsContact OD1-CB 3.22Å; N162-S197 WeakPolarHBondContact OD1-CB 3.49Å; N162-S197 PolarHBondContact OD1-OG 3.02Å
198Q98.3Very high97.4Very high69 Ų6987.9 Ų87.932%0.32243%0.434SS..EExtended strand (participates in β ladder)trans-137.2145.8171.8-173.365.7-69.700109.5N160 V161 I175 A183 I184 V185N160-Q198 WeakPolarHBondContact CA-O 3.44Å; N160-Q198 PolarHBondContact ND2-O 2.92Å; V161-Q198 HydrophobicContact CG1-CB 4.07Å; V161-Q198 PolarHBondContact N-O 2.98Å; V161-Q198 PolarHBondContact O-N 2.82Å; I175-Q198 HydrophobicContact CD1-CB 4.43Å; I175-Q198 HydrophobicContact CD1-CG 4.13Å; A183-Q198 HydrophobicContact CB-CG 4.09Å; I184-Q198 PolarHBondContact O-NE2 3.2Å; V185-Q198 HydrophobicContact CG2-CB 3.7Å; V185-Q198 HydrophobicContact CG2-CG 4.38Å
199S98.3Very high97.5Very high59 Ų5981.6 Ų81.641%0.41341%0.407SS..EExtended strand (participates in β ladder)trans-137.7154.6175.157.90000111.7F159F159-S199 CarbonylContact O-C 3.53Å; F159-S199 WeakPolarHBondContact O-CA 3.39Å; F159-S199 WeakPolarHBondContact O-CB 3.23Å
200V98.6Very high97.6Very high29 Ų2978 Ų7818%0.17638%0.384CS..EExtended strand (participates in β ladder)trans-153.6143.7177.863.70000109.6F159 I175 A183 L202F159-V200 HydrophobicContact CB-CG1 4.29Å; F159-V200 PolarHBondContact N-O 2.68Å; F159-V200 PolarHBondContact O-N 3.09Å; I175-V200 HydrophobicContact CD1-CG1 4.06Å; I175-V200 HydrophobicContact CG2-CG1 4.03Å; A183-V200 HydrophobicContact CB-CB 4.43Å; V200-L202 HydrophobicContact CG1-CD1 4.17Å; V200-L202 HydrophobicContact CG1-CD2 4.45Å; V200-L202 HydrophobicContact CG1-CG 4.09Å; V200-L202 HydrophobicContact CG2-CD2 3.78Å; V200-L202 HydrophobicContact CG2-CG 4.15Å
201M98.6Very high97.7Very high110 Ų11076.8 Ų76.854%0.54237%0.371SS..EExtended strand (participates in β ladder)trans-98.4131.9167.5-71177.559.900109.4V156 Y157 F158 I239V156-M201 HydrophobicContact CG1-CE 3.56Å; Y157-M201 CarbonylContact O-C 3.6Å; Y157-M201 WeakPolarHBondContact O-CA 3.32Å; F158-M201 HydrophobicContact CB-CG 4.44Å; F158-M201 HydrophobicContact CD2-CG 3.99Å; M201-I239 HydrophobicContact CE-CD1 3.52Å; M201-I239 HydrophobicContact CG-CD1 4.24Å; M201-I239 HydrophobicContact SD-CD1 4.03Å
202L98.4Very high97.8Very high13 Ų1371.2 Ų71.27%0.06834%0.342CS..EExtended strand (participates in β ladder)trans-129.8135.7-177.5-61.4175.3000110.1Y157 F159 Q177 R182 V200 L204 V210Y157-L202 PolarHBondContact N-O 2.73Å; Y157-L202 PolarHBondContact O-N 3.11Å; F159-L202 HydrophobicContact CD2-CB 4.42Å; F159-L202 HydrophobicContact CD2-CD1 3.99Å; F159-L202 HydrophobicContact CD2-CG 4.32Å; F159-L202 HydrophobicContact CE2-CB 4.27Å; F159-L202 HydrophobicContact CE2-CD1 4.18Å; Q177-L202 HydrophobicContact CB-CD1 4.34Å; R182-L202 HydrophobicContact CB-CD2 4.04Å; R182-L202 HydrophobicContact CG-CD1 4.2Å; R182-L202 HydrophobicContact CG-CD2 3.8Å; V200-L202 HydrophobicContact CG1-CD1 4.17Å; V200-L202 HydrophobicContact CG1-CD2 4.45Å; V200-L202 HydrophobicContact CG1-CG 4.09Å; V200-L202 HydrophobicContact CG2-CD2 3.78Å; V200-L202 HydrophobicContact CG2-CG 4.15Å; L202-L204 HydrophobicContact CB-CD2 3.93Å; L202-L204 HydrophobicContact CB-CG 4.43Å; L202-V210 HydrophobicContact CD1-CG1 4.25Å; L202-V210 HydrophobicContact CD1-CG2 4.24Å
203E97.9Very high97.9Very high150 Ų15063.3 Ų63.370%0.70131%0.312SS*.EExtended strand (participates in β ladder)trans-83.4125.3165.1-170.3179.9173.400108.8G155 Q177G155-E203 WeakPolarHBondContact O-CA 3.32Å; Q177-E203 PolarHBondContact NE2-O 2.86Å; Q177-E203 VanDerWaalsContact NE2-O 3.14Å
204L98.3Very high98Very high3 Ų361.4 Ų61.42%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-121.1140.9-175-57.2-174.3000111.1F149 C151 A154 G155 Y157 F159 Q177 L202 D208 V210F149-L204 HydrophobicContact CD1-CD1 4.27Å; F149-L204 HydrophobicContact CE1-CD1 3.78Å; C151-L204 HydrophobicContact CB-CB 4.02Å; C151-L204 HydrophobicContact CB-CD1 4.06Å; C151-L204 VanDerWaalsContact SG-CB 3.56Å; A154-L204 WeakPolarHBondContact CA-O 3.27Å; G155-L204 PolarHBondContact N-O 2.99Å; G155-L204 PolarHBondContact O-N 2.94Å; Y157-L204 HydrophobicContact CD2-CB 4.04Å; Y157-L204 HydrophobicContact CD2-CD1 3.64Å; Y157-L204 HydrophobicContact CD2-CG 3.87Å; Y157-L204 HydrophobicContact CE2-CB 4.2Å; Y157-L204 HydrophobicContact CE2-CD1 4.12Å; Y157-L204 HydrophobicContact CE2-CG 4.46Å; Y157-L204 HydrophobicContact CG-CD1 3.89Å; Y157-L204 HydrophobicContact CG-CG 4.45Å; F159-L204 HydrophobicContact CE2-CD1 3.91Å; F159-L204 HydrophobicContact CZ-CD1 3.76Å; Q177-L204 HydrophobicContact CG-CD2 4.05Å; L202-L204 HydrophobicContact CB-CD2 3.93Å; L202-L204 HydrophobicContact CB-CG 4.43Å; L204-D208 HydrophobicContact CB-CB 4.27Å; L204-D208 HydrophobicContact CD2-CB 4.18Å; L204-V210 HydrophobicContact CD1-CG2 3.76Å; L204-V210 HydrophobicContact CD2-CG2 3.72Å; L204-V210 HydrophobicContact CG-CG2 4.43Å
205R97.5Very high97.9Very high184 Ų18460 Ų6069%0.69429%0.29SS*.  trans-95.3160.5167.9-66.3176.5-176-109.7-4.7110.3C151 R207 D208C151-R205 VanDerWaalsContact CB-O 3.3Å; C151-R205 WeakPolarHBondContact CB-O 3.44Å; C151-R205 PolarHBondContact SG-O 2.78Å; R205-R207 PolarHBondContact O-N 2.76Å; R205-D208 PolarHBondContact N-OD2 2.81Å; R205-D208 WeakPolarHBondContact O-CB 3.36Å; R205-D208 PolarHBondContact O-N 2.86Å
206P96.4Very high97.7Very high77 Ų7760 Ų6050%0.529%0.287SS..THydrogen-bonded Turntrans-55134.6173.4-2435.7000110.2C151 A154 D208C151-P206 CarbonylContact O-C 3.58Å; C151-P206 WeakPolarHBondContact O-CA 3.47Å; A154-P206 HydrophobicContact CB-CG 4.13Å; P206-D208 VanDerWaalsContact C-N 3.3Å; P206-D208 PolarHBondContact O-N 3Å
207R96.4Very high97.2Very high212 Ų21263 Ų6380%0.830%0.296SS*.THydrogen-bonded Turntrans741.4-174.7-49.8-179.2171.1-156.9-3.2116.8L150 C151 R205 A209L150-R207 HydrophobicContact CD1-CB 4.43Å; L150-R207 WeakPolarHBondContact CD1-O 3.42Å; C151-R207 PolarHBondContact O-N 3.35Å; R205-R207 PolarHBondContact O-N 2.76Å; R207-A209 PolarHBondContact O-N 2.92Å
208D98.4Very high96.8Very high24 Ų2466.7 Ų66.713%0.12831%0.306CS..  trans-61.1137.6166.2-81-16.1000109.9C151 Q177 N178 L204 R205 P206C151-D208 HydrophobicContact CB-CB 4.23Å; C151-D208 VanDerWaalsContact CB-O 3.3Å; C151-D208 WeakPolarHBondContact CB-O 3.38Å; C151-D208 PolarHBondContact N-O 3.47Å; Q177-D208 PolarHBondContact NE2-OD2 2.82Å; N178-D208 PolarHBondContact ND2-OD1 3.25Å; N178-D208 WeakPolarHBondContact OD1-CA 3.21Å; L204-D208 HydrophobicContact CB-CB 4.27Å; L204-D208 HydrophobicContact CD2-CB 4.18Å; R205-D208 PolarHBondContact N-OD2 2.81Å; R205-D208 WeakPolarHBondContact O-CB 3.36Å; R205-D208 PolarHBondContact O-N 2.86Å; P206-D208 VanDerWaalsContact C-N 3.3Å; P206-D208 PolarHBondContact O-N 3Å
209A98.5Very high96.4Very high16 Ų1670.9 Ų70.913%0.13232%0.319CS..EExtended strand (participates in β ladder)trans-104.1133.917700000110.8F149 Q177 N178 R207F149-A209 CarbonylContact O-C 3.5Å; F149-A209 WeakPolarHBondContact O-CA 3.47Å; Q177-A209 CarbonylContact C-O 3.56Å; Q177-A209 WeakPolarHBondContact CA-O 3.48Å; N178-A209 PolarHBondContact N-O 3.46Å; N178-A209 PolarHBondContact OD1-N 2.9Å; R207-A209 PolarHBondContact O-N 2.92Å
210V98.8Very high96.1Very high0 Ų072.8 Ų72.80%032%0.321CS..EExtended strand (participates in β ladder)trans-120.8129.8171.4-175.20000109.6F149 F159 I175 M176 L202 L204 F234F149-V210 HydrophobicContact CB-CB 4.44Å; F149-V210 WeakPolarHBondContact CB-O 3.47Å; F149-V210 HydrophobicContact CD1-CB 4.27Å; F149-V210 HydrophobicContact CD1-CG2 4.43Å; F149-V210 PolarHBondContact N-O 2.64Å; F149-V210 PolarHBondContact O-N 2.96Å; F159-V210 HydrophobicContact CD1-CB 4.45Å; F159-V210 HydrophobicContact CD1-CG1 3.85Å; F159-V210 HydrophobicContact CD2-CG1 4.11Å; F159-V210 HydrophobicContact CE1-CB 3.83Å; F159-V210 HydrophobicContact CE1-CG1 3.73Å; F159-V210 HydrophobicContact CE1-CG2 4.27Å; F159-V210 HydrophobicContact CE2-CB 4.24Å; F159-V210 HydrophobicContact CE2-CG1 4.02Å; F159-V210 HydrophobicContact CE2-CG2 3.87Å; F159-V210 HydrophobicContact CG-CG1 4.03Å; F159-V210 HydrophobicContact CZ-CB 3.74Å; F159-V210 HydrophobicContact CZ-CG1 3.85Å; F159-V210 HydrophobicContact CZ-CG2 3.65Å; I175-V210 HydrophobicContact CG2-CG1 4.22Å; M176-V210 VanDerWaalsContact O-CA 3.29Å; M176-V210 WeakPolarHBondContact O-CA 3.41Å; M176-V210 WeakPolarHBondContact O-CG1 3.37Å; L202-V210 HydrophobicContact CD1-CG1 4.25Å; L202-V210 HydrophobicContact CD1-CG2 4.24Å; L204-V210 HydrophobicContact CD1-CG2 3.76Å; L204-V210 HydrophobicContact CD2-CG2 3.72Å; L204-V210 HydrophobicContact CG-CG2 4.43Å; V210-F234 HydrophobicContact CG1-CZ 4.19Å
211W98.8Very high96.1Very high26 Ų2671.4 Ų71.410%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-157.1165.2-172.360.5-75.1000112.1A128 G147 K148 M176 N178 R213A128-W211 HydrophobicContact CB-CE3 3.65Å; A128-W211 HydrophobicContact CB-CZ3 3.66Å; G147-W211 WeakPolarHBondContact O-CB 3.49Å; K148-W211 HydrophobicContact CB-CB 4.2Å; K148-W211 HydrophobicContact CD-CG 4.37Å; K148-W211 HydrophobicContact CG-CB 3.77Å; K148-W211 HydrophobicContact CG-CG 4.04Å; M176-W211 HydrophobicContact CB-CD2 3.92Å; M176-W211 HydrophobicContact CB-CG 4.01Å; M176-W211 HydrophobicContact CB-CZ2 4.12Å; M176-W211 WeakPolarHBondContact CB-O 3.38Å; M176-W211 HydrophobicContact CE-CZ2 4.47Å; M176-W211 HydrophobicContact CG-CD2 3.96Å; M176-W211 HydrophobicContact CG-CE3 4.31Å; M176-W211 HydrophobicContact CG-CH2 4.21Å; M176-W211 HydrophobicContact CG-CZ2 3.82Å; M176-W211 HydrophobicContact CG-CZ3 4.44Å; M176-W211 PolarHBondContact N-O 2.95Å; M176-W211 PolarHBondContact O-N 2.94Å; M176-W211 VanDerWaalsContact O-N 3.16Å; N178-W211 PolarHBondContact O-NE1 3.48Å; W211-R213 HydrophobicContact CE3-CB 3.97Å; W211-R213 HydrophobicContact CH2-CB 3.77Å; W211-R213 VanDerWaalsContact CH2-CD 3.42Å; W211-R213 HydrophobicContact CH2-CG 3.62Å; W211-R213 HydrophobicContact CZ3-CB 3.39Å; W211-R213 HydrophobicContact CZ3-CG 3.53Å
212V98.6Very high96Very high1 Ų166.1 Ų66.11%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-104.6128178.8-177.50000109.3V129 V161 L173 H174 F234V129-V212 HydrophobicContact CB-CB 4.19Å; V129-V212 HydrophobicContact CB-CG1 4.27Å; V129-V212 HydrophobicContact CG2-CB 4.31Å; V129-V212 HydrophobicContact CG2-CG1 3.88Å; V129-V212 PolarHBondContact N-O 2.88Å; V161-V212 HydrophobicContact CG2-CG2 4.13Å; L173-V212 HydrophobicContact CB-CG1 4.07Å; L173-V212 HydrophobicContact CD2-CG1 3.73Å; L173-V212 HydrophobicContact CG-CG1 4.48Å; H174-V212 CarbonylContact O-C 3.27Å; H174-V212 WeakPolarHBondContact O-CA 3.44Å; V212-F234 HydrophobicContact CG2-CD1 4.15Å; V212-F234 HydrophobicContact CG2-CD2 3.92Å; V212-F234 HydrophobicContact CG2-CE1 4.2Å; V212-F234 HydrophobicContact CG2-CE2 3.99Å; V212-F234 HydrophobicContact CG2-CG 4.04Å; V212-F234 HydrophobicContact CG2-CZ 4.14Å
213R97.9Very high96Very high24 Ų2465.5 Ų65.59%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-112.9125.6-179.8-169.7176.181.5-172.84.1110.2Y126 Q127 L173 H174 M176 E181 W211Y126-R213 HydrophobicContact CD1-CG 4.23Å; Q127-R213 WeakPolarHBondContact O-CA 3.4Å; L173-R213 CarbonylContact C-O 3.58Å; L173-R213 VanDerWaalsContact CA-O 3.26Å; L173-R213 WeakPolarHBondContact CA-O 3.27Å; H174-R213 HydrophobicContact CB-CB 4.4Å; H174-R213 PolarHBondContact CE1-NH2 2.86Å; H174-R213 VanDerWaalsContact CE1-NH2 3.28Å; H174-R213 PolarHBondContact N-O 3.03Å; H174-R213 PolarHBondContact ND1-NH2 2.89Å; H174-R213 PolarHBondContact O-N 3.32Å; M176-R213 HydrophobicContact CG-CB 3.65Å; M176-R213 HydrophobicContact SD-CB 4.07Å; E181-R213 IonicContact OE1-CZ 3.82Å; E181-R213 VanDerWaalsContact OE1-CZ 3.29Å; E181-R213 IonicContact OE1-NH1 3.42Å; E181-R213 PolarHBondContact OE1-NH1 2.83Å; E181-R213 VanDerWaalsContact OE1-NH1 3.13Å; E181-R213 IonicContact OE1-NH2 4Å; E181-R213 PolarHBondContact OE1-NH2 2.64Å; W211-R213 HydrophobicContact CE3-CB 3.97Å; W211-R213 HydrophobicContact CH2-CB 3.77Å; W211-R213 VanDerWaalsContact CH2-CD 3.42Å; W211-R213 HydrophobicContact CH2-CG 3.62Å; W211-R213 HydrophobicContact CZ3-CB 3.39Å; W211-R213 HydrophobicContact CZ3-CG 3.53Å
214L97.7Very high96Very high0 Ų061.8 Ų61.80%026%0.264CS..EExtended strand (participates in β ladder)trans-80131.6171.2-169.166.7000109.4L120 Q127 V129 L173 N221 I223L120-L214 HydrophobicContact CD2-CD2 4.06Å; L120-L214 HydrophobicContact CG-CD2 3.97Å; Q127-L214 HydrophobicContact CG-CB 3.84Å; Q127-L214 HydrophobicContact CG-CD2 4.27Å; Q127-L214 PolarHBondContact O-N 2.84Å; V129-L214 HydrophobicContact CG2-CB 4.19Å; L173-L214 HydrophobicContact CD2-CB 4.3Å; L173-L214 HydrophobicContact CD2-CD1 3.54Å; L173-L214 HydrophobicContact CG-CD1 3.89Å; L214-N221 VanDerWaalsContact CD1-ND2 3.33Å; L214-N221 WeakPolarHBondContact CD1-ND2 3.4Å; L214-I223 HydrophobicContact CD1-CG2 4.32Å
215F96.7Very high95.9Very high45 Ų4561.9 Ų61.920%0.19727%0.265CS..PPolyproline II helixtrans-69.9134.8179.5-163.4-86.5000110.9S122 Y126 Y172 H174 R217 N221S122-F215 WeakPolarHBondContact CB-O 3.41Å; Y126-F215 AromaticContact CE1-CD2 3.64Å; Y126-F215 HydrophobicContact CE1-CD2 3.64Å; Y126-F215 AromaticContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CG 4.06Å; Y126-F215 HydrophobicContact CE1-CZ 4.4Å; Y126-F215 WeakPolarHBondContact OH-CE2 3.36Å; Y172-F215 HydrophobicContact CD1-CB 3.94Å; Y172-F215 HydrophobicContact CD1-CD1 4.03Å; Y172-F215 HydrophobicContact CD1-CD2 4.07Å; Y172-F215 AromaticContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD2-CB 4.32Å; Y172-F215 HydrophobicContact CE1-CD1 4.31Å; Y172-F215 AromaticContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CE2 4.07Å; Y172-F215 AromaticContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CZ 4.42Å; Y172-F215 HydrophobicContact CE2-CD2 4.42Å; Y172-F215 HydrophobicContact CG-CB 3.8Å; Y172-F215 HydrophobicContact CG-CD2 4.46Å; Y172-F215 HydrophobicContact CG-CG 4.11Å; Y172-F215 VanDerWaalsContact O-CB 3.32Å; Y172-F215 WeakPolarHBondContact O-CB 3.33Å; Y172-F215 PolarHBondContact O-N 2.85Å; H174-F215 AromaticContact CE1-CD2 3.77Å; H174-F215 AromaticContact NE2-CD2 3.85Å; F215-R217 PolarHBondContact O-N 3.07Å; F215-N221 PolarHBondContact N-ND2 3.19Å; F215-N221 PolarHBondContact O-ND2 3.03Å
216K94Very high95.7Very high93 Ų9354.8 Ų54.840%0.40424%0.24SC..PPolyproline II helixtrans-67.3126.5-179.665.2-179.7-178.9170.40111.7D123 D124 A125 Y126D123-K216 WeakPolarHBondContact O-CA 3.26Å; D124-K216 WeakPolarHBondContact O-CD 3.25Å; A125-K216 VanDerWaalsContact C-CB 3.46Å; Y126-K216 HydrophobicContact CD1-CB 4.37Å; Y126-K216 HydrophobicContact CD1-CG 4.32Å; Y126-K216 HydrophobicContact CD2-CD 3.97Å; Y126-K216 HydrophobicContact CD2-CG 4.42Å; Y126-K216 HydrophobicContact CE1-CD 4.5Å; Y126-K216 HydrophobicContact CE1-CG 4.01Å; Y126-K216 HydrophobicContact CE2-CD 3.71Å; Y126-K216 HydrophobicContact CE2-CG 4.13Å; Y126-K216 HydrophobicContact CG-CD 4.47Å
217R86.1Confident95.3Very high120 Ų12057.7 Ų57.745%0.45325%0.252SS..  trans-171.471.4-177.9-148.6167.2-177.9155.5-3.9111.3S122 D123 E170 F215 R219 E220 N221S122-R217 PolarHBondContact OG-O 2.84Å; D123-R217 PolarHBondContact O-N 3.11Å; D123-R217 VanDerWaalsContact O-N 3.07Å; E170-R217 IonicContact OE1-CZ 3.65Å; E170-R217 IonicContact OE1-NH1 2.85Å; E170-R217 PolarHBondContact OE1-NH1 2.98Å; E170-R217 WeakPolarHBondContact OE2-CD 3.34Å; E170-R217 IonicContact OE2-CZ 3.33Å; E170-R217 IonicContact OE2-NE 3.56Å; E170-R217 IonicContact OE2-NH1 2.64Å; E170-R217 PolarHBondContact OE2-NH1 2.85Å; F215-R217 PolarHBondContact O-N 3.07Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 CarbonylContact O-C 3.52Å; R217-R219 PolarHBondContact O-N 2.96Å; R217-E220 HydrophobicContact CG-CB 4.15Å; R217-E220 PolarHBondContact O-N 2.8Å; R217-N221 HydrophobicContact CB-CB 3.92Å
218E88.4Confident95.1Very high146 Ų14652.6 Ų52.668%0.68224%0.244SC*.THydrogen-bonded Turntrans12.365.6171.4-159.5175.8-171.900116.2D124 E220D124-E218 WeakPolarHBondContact OD1-CA 3.32Å; D124-E218 WeakPolarHBondContact OD1-CB 3.34Å; D124-E218 WeakPolarHBondContact OD1-CG 3.14Å; E218-E220 PolarHBondContact O-N 2.92Å
219R89.9Confident94.8Very high156 Ų15655.4 Ų55.459%0.58926%0.259SS*.THydrogen-bonded Turntrans55.99.4-176.3-45.7-170.876.8-170.82.9118.2H121 S122 K169 R217H121-R219 PolarHBondContact ND1-O 2.95Å; S122-R219 VanDerWaalsContact O-CA 3.32Å; S122-R219 WeakPolarHBondContact O-CA 3.41Å; S122-R219 PolarHBondContact O-N 2.78Å; K169-R219 WeakPolarHBondContact CD-O 3.2Å; K169-R219 WeakPolarHBondContact CE-O 3.34Å; K169-R219 PolarHBondContact NZ-O 2.77Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 CarbonylContact O-C 3.52Å; R217-R219 PolarHBondContact O-N 2.96Å
220E93.3Very high94.6Very high99 Ų9956.9 Ų56.946%0.46327%0.266SS..THydrogen-bonded Turntrans-86.8-17.5174.8-67.2-50.3132.500114.1K169 E170 R217 E218K169-E220 IonicContact NZ-OE1 2.82Å; K169-E220 PolarHBondContact NZ-OE1 2.97Å; K169-E220 IonicContact NZ-OE2 3.56Å; K169-E220 PolarHBondContact NZ-OE2 2.87Å; E170-E220 PolarHBondContact N-O 2.66Å; R217-E220 HydrophobicContact CG-CB 4.15Å; R217-E220 PolarHBondContact O-N 2.8Å; E218-E220 PolarHBondContact O-N 2.92Å
221N97.2Very high94.5Very high0 Ų059.6 Ų59.60%028%0.277CS..BIsolated β-bridgetrans-103133.1169.8177.124.6000109.9S122 E170 T171 Y172 L214 F215 R217S122-N221 WeakPolarHBondContact CB-O 3.35Å; S122-N221 PolarHBondContact N-O 3.02Å; S122-N221 WeakPolarHBondContact OG-CA 3.3Å; S122-N221 WeakPolarHBondContact OG-CB 3.41Å; S122-N221 PolarHBondContact OG-N 2.82Å; S122-N221 VanDerWaalsContact OG-N 3.11Å; S122-N221 PolarHBondContact OG-O 2.8Å; E170-N221 CarbonylContact O-C 3.54Å; E170-N221 VanDerWaalsContact O-CA 3.27Å; E170-N221 WeakPolarHBondContact O-CA 3.32Å; E170-N221 PolarHBondContact O-OD1 3.05Å; T171-N221 WeakPolarHBondContact CA-OD1 3.36Å; Y172-N221 PolarHBondContact N-OD1 2.64Å; Y172-N221 PolarHBondContact O-ND2 2.91Å; L214-N221 VanDerWaalsContact CD1-ND2 3.33Å; L214-N221 WeakPolarHBondContact CD1-ND2 3.4Å; F215-N221 PolarHBondContact N-ND2 3.19Å; F215-N221 PolarHBondContact O-ND2 3.03Å; R217-N221 HydrophobicContact CB-CB 3.92Å
222A97.5Very high94.5Very high0 Ų058.4 Ų58.40%027%0.272CS..EExtended strand (participates in β ladder)trans-153.8157.3-177.800000113.2L120 W166 K169 E170 T171L120-A222 VanDerWaalsContact O-CA 3.27Å; L120-A222 WeakPolarHBondContact O-CA 3.5Å; W166-A222 HydrophobicContact CB-CB 3.95Å; W166-A222 HydrophobicContact CG-CB 4.19Å; K169-A222 HydrophobicContact CB-CB 3.97Å; K169-A222 HydrophobicContact CG-CB 4.18Å; E170-A222 PolarHBondContact O-N 2.85Å; T171-A222 PolarHBondContact OG1-O 3.32Å
223I97.8Very high94.5Very high0 Ų059.4 Ų59.40%028%0.278CS..EExtended strand (participates in β ladder)trans-124.7135.8169.959.6-176.8000109.4S119 L120 V129 I163 T171 L173 L214 I232S119-I223 WeakPolarHBondContact CA-O 3.45Å; S119-I223 WeakPolarHBondContact CB-O 3.41Å; L120-I223 HydrophobicContact CB-CD1 4.03Å; L120-I223 HydrophobicContact CB-CG1 3.74Å; L120-I223 HydrophobicContact CD2-CD1 4.4Å; L120-I223 PolarHBondContact N-O 2.82Å; L120-I223 PolarHBondContact O-N 2.85Å; V129-I223 HydrophobicContact CG1-CD1 4.09Å; V129-I223 HydrophobicContact CG2-CD1 4.44Å; I163-I223 HydrophobicContact CG2-CB 3.88Å; I163-I223 HydrophobicContact CG2-CG2 3.43Å; I163-I223 VanDerWaalsContact CG2-CG2 3.43Å; T171-I223 HydrophobicContact CG2-CG2 4.02Å; L173-I223 HydrophobicContact CD1-CG2 3.88Å; L173-I223 HydrophobicContact CD2-CG2 4.16Å; L173-I223 HydrophobicContact CG-CG2 4.38Å; L214-I223 HydrophobicContact CD1-CG2 4.32Å; I223-I232 HydrophobicContact CB-CD1 4.03Å; I223-I232 HydrophobicContact CD1-CD1 3.75Å; I223-I232 HydrophobicContact CG1-CD1 3.79Å
224Y97.5Very high94.6Very high72 Ų7258.2 Ų58.228%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-96139.9-177.4179.4-87.8000111.7H164 W166 D226 Y231 I232H164-Y224 AromaticContact CE1-CD1 3.76Å; H164-Y224 AromaticContact ND1-CD1 3.45Å; H164-Y224 WeakPolarHBondContact ND1-CD1 3.42Å; H164-Y224 PolarHBondContact O-N 3.33Å; W166-Y224 HydrophobicContact CD2-CD2 4.06Å; W166-Y224 AromaticContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CG 4.11Å; W166-Y224 HydrophobicContact CH2-CD2 4.18Å; W166-Y224 AromaticContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CE2 4.25Å; W166-Y224 HydrophobicContact CZ3-CG 4.47Å; Y224-D226 PolarHBondContact OH-OD2 2.78Å; Y224-D226 VanDerWaalsContact OH-OD2 3.07Å; Y224-Y231 HydrophobicContact CD1-CD2 4.38Å; Y224-Y231 HydrophobicContact CE1-CD2 4.21Å; Y224-Y231 AromaticContact CE1-CE2 3.99Å; Y224-Y231 HydrophobicContact CE1-CE2 3.99Å; Y224-I232 WeakPolarHBondContact O-CD1 3.41Å
225S96.4Very high94.6Very high5 Ų559.9 Ų59.94%0.03528%0.283CS..  trans-163.5159.1164.3-170.80000110.3R116 R117 S119R116-S225 PolarHBondContact O-OG 2.91Å; R117-S225 WeakPolarHBondContact CA-OG 3.48Å; R117-S225 CarbonylContact O-C 3.59Å; R117-S225 VanDerWaalsContact O-C 3.29Å; R117-S225 WeakPolarHBondContact O-CB 3.34Å; R117-S225 PolarHBondContact O-OG 3.25Å; S119-S225 PolarHBondContact N-O 3.11Å; S119-S225 PolarHBondContact OG-N 2.88Å; S119-S225 PolarHBondContact OG-O 2.85Å
226D92.8Very high94.7Very high34 Ų3457.8 Ų57.818%0.18227%0.274CS..  trans-127.4-178.8174.758.446.2000112.7R117 Y224 V228 D229 Y231R117-D226 CarbonylContact C-O 3.53Å; R117-D226 CarbonylContact O-C 3.55Å; R117-D226 VanDerWaalsContact O-C 3.27Å; R117-D226 PolarHBondContact O-N 3.15Å; Y224-D226 PolarHBondContact OH-OD2 2.78Å; Y224-D226 VanDerWaalsContact OH-OD2 3.07Å; D226-V228 VanDerWaalsContact C-N 3.3Å; D226-V228 PolarHBondContact OD1-N 3.46Å; D226-D229 PolarHBondContact OD1-N 3.38Å; D226-Y231 WeakPolarHBondContact OD2-CE2 3.45Å
227D89.3Confident94.9Very high139 Ų13958.5 Ų58.574%0.74328%0.275SS*.SBendtrans-82.3-6.6-17959.4-20000113.8
228V90.7Very high95.4Very high105 Ų10554 Ų5464%0.63626%0.26SS*.SBendtrans-93.8-60.2-178.1-176.70000110.1D226D226-V228 VanDerWaalsContact C-N 3.3Å; D226-V228 PolarHBondContact OD1-N 3.46Å
229D93.1Very high95.8Very high82 Ų8251 Ų5144%0.43925%0.247SC..SBendtrans-106.6156.6-172.9-71.2-47.9000111.9D226 Y231D226-D229 PolarHBondContact OD1-N 3.38Å; D229-Y231 HydrophobicContact CB-CD2 4.17Å; D229-Y231 HydrophobicContact CB-CE1 4.08Å; D229-Y231 HydrophobicContact CB-CE2 3.44Å; D229-Y231 VanDerWaalsContact CB-CE2 3.44Å; D229-Y231 WeakPolarHBondContact CB-OH 3.42Å; D229-Y231 PolarHBondContact OD2-OH 2.81Å; D229-Y231 VanDerWaalsContact OD2-OH 3.11Å
230V95.1Very high96.1Very high48 Ų4849.7 Ų49.729%0.29125%0.246SC..  trans-107.3102.3179.81800000109.8A115 R117 F135 T233A115-V230 HydrophobicContact CB-CG1 3.42Å; A115-V230 VanDerWaalsContact CB-CG1 3.42Å; R117-V230 HydrophobicContact CG-CG2 4.42Å; F135-V230 HydrophobicContact CE2-CG1 4.2Å; F135-V230 HydrophobicContact CZ-CG1 4.09Å; F135-V230 HydrophobicContact CZ-CG2 4.35Å; V230-T233 HydrophobicContact CG1-CG2 3.99Å
231Y96.7Very high96.2Very high57 Ų5746.6 Ų46.622%0.22424%0.237CC..  trans-100.7-26.6-177.3-61.7-70.6000113.9H164 M195 Y224 D226 D229H164-Y231 HydrophobicContact CB-CD1 4.33Å; H164-Y231 HydrophobicContact CB-CG 4.09Å; H164-Y231 AromaticContact ND1-CD1 3.4Å; H164-Y231 WeakPolarHBondContact ND1-CD1 3.4Å; H164-Y231 AromaticContact ND1-CE1 3.72Å; H164-Y231 AromaticContact ND1-CG 3.53Å; M195-Y231 HydrophobicContact CE-CD1 3.84Å; Y224-Y231 HydrophobicContact CD1-CD2 4.38Å; Y224-Y231 HydrophobicContact CE1-CD2 4.21Å; Y224-Y231 AromaticContact CE1-CE2 3.99Å; Y224-Y231 HydrophobicContact CE1-CE2 3.99Å; D226-Y231 WeakPolarHBondContact OD2-CE2 3.45Å; D229-Y231 HydrophobicContact CB-CD2 4.17Å; D229-Y231 HydrophobicContact CB-CE1 4.08Å; D229-Y231 HydrophobicContact CB-CE2 3.44Å; D229-Y231 VanDerWaalsContact CB-CE2 3.44Å; D229-Y231 WeakPolarHBondContact CB-OH 3.42Å; D229-Y231 PolarHBondContact OD2-OH 2.81Å; D229-Y231 VanDerWaalsContact OD2-OH 3.11Å
232I98.3Very high95.7Very high0 Ų048.5 Ų48.50%026%0.257CS..EExtended strand (participates in β ladder)trans-105.8116.1-176.8-62.4164000109A115 R116 F131 N162 I163 I223 Y224A115-I232 VanDerWaalsContact CA-O 3.23Å; A115-I232 WeakPolarHBondContact CA-O 3.4Å; A115-I232 WeakPolarHBondContact CB-O 3.17Å; R116-I232 HydrophobicContact CB-CB 4.09Å; R116-I232 HydrophobicContact CB-CG2 3.83Å; R116-I232 PolarHBondContact N-O 2.8Å; R116-I232 VanDerWaalsContact N-O 3.09Å; F131-I232 HydrophobicContact CE1-CG2 4.11Å; N162-I232 WeakPolarHBondContact O-CA 3.39Å; I163-I232 HydrophobicContact CD1-CB 4.47Å; I163-I232 HydrophobicContact CD1-CG1 4.28Å; I163-I232 HydrophobicContact CD1-CG2 3.74Å; I223-I232 HydrophobicContact CB-CD1 4.03Å; I223-I232 HydrophobicContact CD1-CD1 3.75Å; I223-I232 HydrophobicContact CG1-CD1 3.79Å; Y224-I232 WeakPolarHBondContact O-CD1 3.41Å
233T98.6Very high94.7Very high22 Ų2257.1 Ų57.114%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-131.5145177.554.40000111V114 A115 F135 V161 N162 V230V114-T233 CarbonylContact O-C 3.58Å; V114-T233 WeakPolarHBondContact O-CA 3.3Å; A115-T233 HydrophobicContact CB-CG2 4.3Å; F135-T233 HydrophobicContact CE2-CG2 4.33Å; V161-T233 WeakPolarHBondContact CA-O 3.22Å; N162-T233 WeakPolarHBondContact CB-OG1 3.33Å; N162-T233 PolarHBondContact N-O 3.17Å; N162-T233 PolarHBondContact ND2-OG1 3.11Å; N162-T233 PolarHBondContact O-N 2.87Å; V230-T233 HydrophobicContact CG1-CG2 3.99Å
234F98.8Very high92.8Very high0 Ų070.2 Ų70.20%036%0.358CS..EExtended strand (participates in β ladder)trans-133123.5171-176.6-137.4000109.3F112 V114 F131 F142 F159 N160 V161 V210 V212F112-F234 AromaticContact CE2-CD1 3.59Å; F112-F234 HydrophobicContact CE2-CD1 3.59Å; F112-F234 AromaticContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CG 4.04Å; F112-F234 HydrophobicContact CE2-CZ 4.35Å; F112-F234 AromaticContact CZ-CD1 4Å; F112-F234 HydrophobicContact CZ-CD1 4Å; F112-F234 AromaticContact CZ-CE1 3.67Å; F112-F234 HydrophobicContact CZ-CE1 3.67Å; F112-F234 AromaticContact CZ-CZ 3.94Å; F112-F234 HydrophobicContact CZ-CZ 3.94Å; V114-F234 HydrophobicContact CG2-CB 4.11Å; V114-F234 WeakPolarHBondContact CG2-O 3.38Å; V114-F234 PolarHBondContact N-O 2.84Å; V114-F234 PolarHBondContact O-N 2.98Å; F131-F234 HydrophobicContact CD1-CB 4.44Å; F131-F234 HydrophobicContact CE1-CB 3.53Å; F131-F234 HydrophobicContact CE2-CB 4.07Å; F131-F234 AromaticContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CG 4.41Å; F131-F234 HydrophobicContact CZ-CB 3.31Å; F131-F234 AromaticContact CZ-CD1 3.98Å; F131-F234 HydrophobicContact CZ-CD1 3.98Å; F131-F234 AromaticContact CZ-CG 3.97Å; F131-F234 HydrophobicContact CZ-CG 3.97Å; F142-F234 AromaticContact CE2-CD1 3.68Å; F142-F234 HydrophobicContact CE2-CD1 3.68Å; F142-F234 AromaticContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CZ-CD1 4.23Å; F159-F234 HydrophobicContact CB-CE2 4.25Å; F159-F234 HydrophobicContact CD1-CE2 4.09Å; F159-F234 AromaticContact CD1-CZ 3.87Å; F159-F234 HydrophobicContact CD1-CZ 3.87Å; N160-F234 WeakPolarHBondContact O-CA 3.23Å; N160-F234 WeakPolarHBondContact O-CD2 3.21Å; V161-F234 HydrophobicContact CB-CD2 4.06Å; V161-F234 HydrophobicContact CG2-CD2 4.41Å; V210-F234 HydrophobicContact CG1-CZ 4.19Å; V212-F234 HydrophobicContact CG2-CD1 4.15Å; V212-F234 HydrophobicContact CG2-CD2 3.92Å; V212-F234 HydrophobicContact CG2-CE1 4.2Å; V212-F234 HydrophobicContact CG2-CE2 3.99Å; V212-F234 HydrophobicContact CG2-CG 4.04Å; V212-F234 HydrophobicContact CG2-CZ 4.14Å
235N98.6Very high92.6Very high34 Ų3470.1 Ų70.118%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-126.3142.6-170.3-53.9-56.5000109.1F112 S113 F159 N160F112-N235 WeakPolarHBondContact O-CA 3.18Å; S113-N235 WeakPolarHBondContact CA-OD1 3.39Å; S113-N235 VanDerWaalsContact CB-OD1 3.26Å; S113-N235 WeakPolarHBondContact CB-OD1 3.34Å; S113-N235 PolarHBondContact OG-OD1 3.22Å; F159-N235 CarbonylContact C-O 3.6Å; F159-N235 VanDerWaalsContact CA-O 3.32Å; F159-N235 WeakPolarHBondContact CA-O 3.4Å; N160-N235 PolarHBondContact N-O 3.32Å; N160-N235 PolarHBondContact O-N 2.93Å; N160-N235 PolarHBondContact OD1-ND2 3.44Å
236G98.4Very high92.4Very high1 Ų173.5 Ų73.51%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-154.6143.117200000112.6A111 F112 F158A111-G236 CarbonylContact C-O 3.56Å; A111-G236 VanDerWaalsContact CA-O 3.32Å; A111-G236 WeakPolarHBondContact CA-O 3.19Å; F112-G236 PolarHBondContact N-O 3.42Å; F112-G236 PolarHBondContact O-N 3.38Å; F158-G236 WeakPolarHBondContact O-CA 3.47Å
237Y98Very high92.4Very high108 Ų10875.7 Ų75.742%0.42439%0.39SS..EExtended strand (participates in β ladder)trans-151.6150.1176.262.4-88.3000112.6S110 Y157 F158 I239S110-Y237 CarbonylContact O-C 3.58Å; S110-Y237 WeakPolarHBondContact O-CA 3.4Å; Y157-Y237 VanDerWaalsContact CA-O 3.31Å; Y157-Y237 WeakPolarHBondContact CA-O 3.43Å; F158-Y237 HydrophobicContact CB-CD1 4.45Å; F158-Y237 HydrophobicContact CB-CE1 3.92Å; F158-Y237 HydrophobicContact CB-CE2 4.21Å; F158-Y237 HydrophobicContact CD1-CD1 4.19Å; F158-Y237 AromaticContact CD1-CE1 3.39Å; F158-Y237 HydrophobicContact CD1-CE1 3.39Å; F158-Y237 AromaticContact CD1-CZ 3.86Å; F158-Y237 HydrophobicContact CE1-CE1 4.19Å; F158-Y237 AromaticContact CG-CE1 3.97Å; F158-Y237 HydrophobicContact CG-CE1 3.97Å; F158-Y237 PolarHBondContact N-O 3.46Å; F158-Y237 PolarHBondContact O-N 2.8Å; Y237-I239 HydrophobicContact CD2-CG1 4.12Å; Y237-I239 HydrophobicContact CE2-CD1 4.46Å; Y237-I239 HydrophobicContact CE2-CG1 3.67Å; Y237-I239 PolarHBondContact O-N 3.41Å
238L97.6Very high92.6Very high26 Ų2672 Ų7214%0.13637%0.37CS..EExtended strand (participates in β ladder)trans-70.1121.6173.7178.361.5000109.6P108 S110 V153 Y157 K240 A241P108-L238 HydrophobicContact CB-CD2 4.5Å; P108-L238 HydrophobicContact CG-CD2 4.48Å; P108-L238 WeakPolarHBondContact O-CD2 3.48Å; S110-L238 PolarHBondContact O-N 3.25Å; V153-L238 HydrophobicContact CB-CD2 4.22Å; V153-L238 HydrophobicContact CG1-CD2 3.8Å; Y157-L238 HydrophobicContact CD1-CB 4.13Å; Y157-L238 HydrophobicContact CD2-CD1 4.09Å; Y157-L238 HydrophobicContact CE1-CB 3.65Å; Y157-L238 HydrophobicContact CE1-CD1 4.2Å; Y157-L238 HydrophobicContact CE1-CG 4.49Å; Y157-L238 HydrophobicContact CE2-CD1 3.62Å; L238-K240 WeakPolarHBondContact CD1-O 3.45Å; L238-A241 HydrophobicContact CD2-CB 4.39Å
239I97.1Very high92.7Very high82 Ų8269.9 Ų69.942%0.42135%0.353SS..EExtended strand (participates in β ladder)trans-88.9-48173.2-66.6169.3000110.2V156 F158 M201 Y237V156-I239 WeakPolarHBondContact O-CB 3.3Å; V156-I239 PolarHBondContact O-N 3.22Å; F158-I239 HydrophobicContact CB-CD1 3.58Å; F158-I239 HydrophobicContact CB-CG1 4.15Å; M201-I239 HydrophobicContact CE-CD1 3.52Å; M201-I239 HydrophobicContact CG-CD1 4.24Å; M201-I239 HydrophobicContact SD-CD1 4.03Å; Y237-I239 HydrophobicContact CD2-CG1 4.12Å; Y237-I239 HydrophobicContact CE2-CD1 4.46Å; Y237-I239 HydrophobicContact CE2-CG1 3.67Å; Y237-I239 PolarHBondContact O-N 3.41Å
240K95.4Very high92.6Very high130 Ų13069.1 Ų69.157%0.56535%0.347SS*.EExtended strand (participates in β ladder)trans-144.8123.3-176.2-173.6-173.1174.1-172.80109.6G155 V156 L238G155-K240 CarbonylContact C-O 3.54Å; G155-K240 VanDerWaalsContact CA-O 3.25Å; G155-K240 WeakPolarHBondContact CA-O 3.41Å; V156-K240 PolarHBondContact N-O 2.95Å; V156-K240 PolarHBondContact O-N 2.88Å; L238-K240 WeakPolarHBondContact CD1-O 3.45Å
241A94.9Very high92.5Very high33 Ų3370.6 Ų70.627%0.27335%0.351SS..EExtended strand (participates in β ladder)trans-65.8141.9170.400000110.9P108 V153 L238P108-A241 HydrophobicContact CG-CB 3.52Å; V153-A241 HydrophobicContact CG1-CB 4.35Å; L238-A241 HydrophobicContact CD2-CB 4.39Å
242G87.7Confident92.1Very high41 Ų4171.7 Ų71.742%0.42336%0.361SS..PPolyproline II helixtrans-64.4148.3167.300000110.3A154A154-G242 PolarHBondContact O-N 3.21Å
243E77.1Confident91.6Very high180 Ų18077.7 Ų77.784%0.84139%0.391SS*.PPolyproline II helixtrans-75.8126.1165.3-68.8171.7-168.800107
244E57.6Low91Very high275 Ų27582.7 Ų82.7100%1.28541%0.414SS*.  trans-65.40171-91.2-173154.400111.8

Retrieved 244 of 244 residues in 215.1 ms (Link to these results)