A0A087XZ88_POEFO Loading...

Complement C1q subcomponent subunit C-like

AlphaFold DB , UniProt , Accession A0A087XZ88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.9Low48.1Very low221 Ų221137.7 Ų137.7100%1.08972%0.719SS**  00.40-78.317380.100114.8
2L49.7Very low47.7Very low136 Ų136138 Ų13871%0.71272%0.721SS**  trans-87.9-13.5176.3-85.3111.8000115.6
3L45.1Very low47.4Very low155 Ų155139.8 Ų139.881%0.81273%0.731SS**THydrogen-bonded Turntrans-83.5-12.7-179.4-151.574.3000113.8
4R47.8Very low47.3Very low218 Ų218136.6 Ų136.682%0.82373%0.726SS**THydrogen-bonded Turntrans-91.4-14.2177.9-95.9-171.8172.7-153.6-1114.2
5Q48.2Very low47.5Very low144 Ų144138.2 Ų138.267%0.67373%0.733SS**THydrogen-bonded Turntrans-90-18.2178.6-87.1176.3-25.200113.9T9Q5-T9 PolarHBondContact O-OG1 3.23Å
6F46.9Very low47.3Very low158 Ų158135.9 Ų135.969%0.69374%0.74SS**Hα-helixtrans-83.3-18.4175.7-83.6-81.7000114.3
7L48.1Very low46.9Very low137 Ų137132.2 Ų132.272%0.71774%0.741SS**Hα-helixtrans-83.5-16.9178.4-75.4165000113.4
8L47Very low47Very low129 Ų129131.2 Ų131.268%0.67574%0.741SS**Hα-helixtrans-94.2-22.1177.9-92.5142.8000113.2
9T48.2Very low46.6Very low93 Ų93132.5 Ų132.557%0.57175%0.745SS**Hα-helixtrans-86.6-18.5174.851.20000113.4Q5Q5-T9 PolarHBondContact O-OG1 3.23Å
10G45Very low46.1Very low61 Ų61133.7 Ų133.763%0.62975%0.749SS**SBendtrans-80.2-14.5172.900000115.1
11A47.2Very low45.5Very low63 Ų63133.4 Ų133.452%0.52175%0.75SS.*SBendtrans-97.8-4.4-17700000114.3
12L43.3Very low44.7Very low141 Ų141127.2 Ų127.274%0.73873%0.734SS**SBendtrans-106.5-2179.3-104.4117.3000114.5
13L43.8Very low44Very low162 Ų162128 Ų12885%0.84874%0.736SS**SBendtrans-101.117.1173.8-110.493.9000113.9
14S45.6Very low43.6Very low94 Ų94129.8 Ų129.866%0.65774%0.74SS**SBendtrans-105.58.317463.80000114.2
15L50.9Low43.1Very low161 Ų161125.1 Ų125.184%0.84374%0.736SS**SBendtrans-124.421.3-175.2-87.2163.6000114.9
16A43.8Very low42.5Very low101 Ų101124 Ų12484%0.83574%0.743SS**  trans-136.5101.5172.800000111.6
17G40.3Very low42.4Very low74 Ų74122.4 Ų122.476%0.76375%0.748SS**  trans151.877.6161.100000115.2
18P50.1Low41.9Very low114 Ų114120.4 Ų120.474%0.7475%0.751SS**  trans-82.3160151.735.3-28.1000110.1
19L38Very low41.6Very low155 Ų155120.7 Ų120.781%0.81275%0.751SS**  trans83.299.6176.3-82.880.5000117.7
20L36.5Very low41.2Very low157 Ų157122.1 Ų122.182%0.82276%0.762SS**  164.188.3107-93.2145.2000109.7
21V34.3Very low41.1Very low127 Ų127122.6 Ų122.677%0.7777%0.766SS**  trans-121.992.9152.7179.80000105.8M23V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 3.33Å; V21-M23 VanDerWaalsContact O-N 3.1Å
22A37.9Very low40.8Very low91 Ų91127.4 Ų127.475%0.75278%0.782SS**  trans-68.3100.3160.100000106.5E24A22-E24 PolarHBondContact O-N 3.21Å
23M36.5Very low40.8Very low154 Ų154126.1 Ų126.176%0.75978%0.782SS**  trans-72.8111.6163.144.7-173.870.700107.1V21 T25V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 3.33Å; V21-M23 VanDerWaalsContact O-N 3.1Å; M23-T25 PolarHBondContact O-N 3.47Å
24E36.3Very low40.7Very low191 Ų191121.7 Ų121.789%0.89378%0.775SS**  trans-61.8103.4165.5-77.2-171.4155.900107.7A22 C26A22-E24 PolarHBondContact O-N 3.21Å; E24-C26 PolarHBondContact O-N 3.37Å
25T36.8Very low40.7Very low121 Ų121125 Ų12574%0.74278%0.784SS**  trans-59.2122.1168.945.80000108.8M23 P27M23-T25 PolarHBondContact O-N 3.47Å; T25-P27 VanDerWaalsContact O-CD 3.24Å; T25-P27 WeakPolarHBondContact O-CD 3.38Å
26C36.6Very low40.4Very low121 Ų121122.7 Ų122.782%0.81878%0.779SS**  trans-55.9120167-58.70000109E24 A28E24-C26 PolarHBondContact O-N 3.37Å; C26-A28 PolarHBondContact O-N 3.44Å; C26-A28 VanDerWaalsContact O-N 3.11Å
27P43.1Very low40.5Very low124 Ų124121.2 Ų121.281%0.80577%0.773SS**  trans-70.1109.7168.626-28.4000108.1T25 M29T25-P27 VanDerWaalsContact O-CD 3.24Å; T25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-M29 PolarHBondContact O-N 3.4Å
28A38.6Very low40.7Very low95 Ų95125.7 Ų125.779%0.78578%0.778SS**PPolyproline II helixtrans-62.1127.5164.200000108.2C26C26-A28 PolarHBondContact O-N 3.44Å; C26-A28 VanDerWaalsContact O-N 3.11Å
29M40.3Very low40.7Very low134 Ų134125.8 Ų125.866%0.6678%0.779SS**PPolyproline II helixtrans-63.7133.3171.3-65.9-176.7-166.300108.8P27 G31 S456P27-M29 PolarHBondContact O-N 3.4Å; M29-G31 PolarHBondContact O-N 3.3Å; M29-S456 PolarHBondContact SD-OG 3.07Å
30P41.2Very low41.2Very low124 Ų124121.6 Ų121.681%0.80577%0.774SS**PPolyproline II helixtrans-55.5130.6175-22.431.5000110.3I32P30-I32 PolarHBondContact O-N 3.5Å
31G41.5Very low41.7Very low70 Ų70126 Ų12672%0.72278%0.779SS**PPolyproline II helixtrans-56.3139.8169.300000110M29M29-G31 PolarHBondContact O-N 3.3Å
32I41.1Very low42.4Very low165 Ų165126.8 Ų126.885%0.84678%0.779SS**PPolyproline II helixtrans-56.1128.6176.6-52.4170.5000107.7P30 G34P30-I32 PolarHBondContact O-N 3.5Å; I32-G34 PolarHBondContact O-N 3.32Å
33P43Very low42.8Very low114 Ų114125.6 Ų125.674%0.7478%0.776SS**PPolyproline II helixtrans-51.4132.8176.7-26.534000110.5I35P33-I35 PolarHBondContact O-N 3.22Å
34G43.2Very low43.2Very low69 Ų69130 Ų13071%0.71178%0.784SS**PPolyproline II helixtrans-55.7138.3173.300000109.9I32I32-G34 PolarHBondContact O-N 3.32Å
35I43.9Very low43.9Very low163 Ų163128.3 Ų128.384%0.83678%0.781SS**PPolyproline II helixtrans-56.9128.1174.9-56.9172.1000107.2P33 G37P33-I35 PolarHBondContact O-N 3.22Å; I35-G37 PolarHBondContact O-N 3.26Å
36P45.7Very low44.4Very low113 Ų113126 Ų12673%0.73478%0.782SS**PPolyproline II helixtrans-51.4136.3177.3-27.334.6000110.8L38P36-L38 PolarHBondContact O-N 3.37Å
37G45.4Very low44.7Very low69 Ų69129.7 Ų129.771%0.71179%0.787SS**PPolyproline II helixtrans-55.4141.6173.800000110.2I35I35-G37 PolarHBondContact O-N 3.26Å
38L44.5Very low45.2Very low168 Ų168133.4 Ų133.488%0.8879%0.79SS**PPolyproline II helixtrans-55.8138.9173.3-69.4168000109.2P36 G40P36-L38 PolarHBondContact O-N 3.37Å; L38-G40 PolarHBondContact O-N 3.29Å
39P51.1Low45.8Very low116 Ų116132.1 Ų132.175%0.75379%0.786SS**PPolyproline II helixtrans-50.2140.8174.4-27.134.6000111.2
40G47.9Very low46.1Very low68 Ų68135 Ų13570%0.70180%0.798SS**PPolyproline II helixtrans-54.4142.9173.600000110.1L38 D42L38-G40 PolarHBondContact O-N 3.29Å; G40-D42 PolarHBondContact O-N 3.44Å
41R47Very low46.6Very low248 Ų248138.7 Ų138.794%0.93680%0.801SS**PPolyproline II helixtrans-63.8136.8173.2-70.6-176.8171.2-171.4-3.2108.9
42D49.5Very low46.9Very low145 Ų145138.6 Ų138.678%0.77580%0.8SS**PPolyproline II helixtrans-54.4142175.2-59.3-35000110.5G40G40-D42 PolarHBondContact O-N 3.44Å
43G45.2Very low47.1Very low66 Ų66138.3 Ų138.368%0.6880%0.8SS**PPolyproline II helixtrans-57.4141.8174.800000110D45G43-D45 PolarHBondContact O-N 3.37Å
44R45Very low47.3Very low245 Ų245138.8 Ų138.893%0.92580%0.803SS**PPolyproline II helixtrans-66.5132.5173.3-61.7-173.1-160.8-167.45.9108.6G46R44-G46 PolarHBondContact O-N 3.5Å
45D51.3Low47.4Very low157 Ų157139.2 Ų139.284%0.8481%0.808SS**PPolyproline II helixtrans-53134.5172.1-63-28.2000110.1G43 Q47G43-D45 PolarHBondContact O-N 3.37Å; D45-Q47 PolarHBondContact O-N 3.36Å
46G48Very low47.2Very low73 Ų73136.4 Ų136.475%0.75381%0.809SS**PPolyproline II helixtrans-58.3136.417700000110.4R44 K48R44-G46 PolarHBondContact O-N 3.5Å; G46-K48 PolarHBondContact O-N 3.48Å; G46-K48 VanDerWaalsContact O-N 3.14Å
47Q43.1Very low46.8Very low198 Ų198140.2 Ų140.293%0.92582%0.817SS**PPolyproline II helixtrans-59.5122.5174.6-75.2-176.34.100109.3D45 G49D45-Q47 PolarHBondContact O-N 3.36Å; Q47-G49 PolarHBondContact O-N 3.1Å
48K53Low46.7Very low202 Ų202148.5 Ų148.588%0.87883%0.827SS**PPolyproline II helixtrans-59.4123.2173.3-175.1177-177.1176.60108.4G46G46-K48 PolarHBondContact O-N 3.48Å; G46-K48 VanDerWaalsContact O-N 3.14Å
49G50.1Low46.4Very low67 Ų67147.7 Ų147.769%0.69183%0.829SS**PPolyproline II helixtrans-54.1142.5-179.100000112.4Q47Q47-G49 PolarHBondContact O-N 3.1Å
50E47.1Very low45.8Very low196 Ų196145.6 Ų145.692%0.91683%0.828SS**PPolyproline II helixtrans-62136.6-178.8-66.8-175.7146.700111.2
51K52.3Low45.3Very low201 Ų201148.5 Ų148.587%0.87484%0.838SS**PPolyproline II helixtrans-74.4124.5178.9-167.8-175.9-159.6-178.40108.2
52G46.6Very low45Very low68 Ų68145.6 Ų145.670%0.70184%0.84SS**PPolyproline II helixtrans-57.7143.8178.700000113.1
53D45.2Very low44.3Very low159 Ų159142 Ų14285%0.8584%0.837SS**PPolyproline II helixtrans-63.8142-173.3-63.7-50.3000113.3
54P48.4Very low44.4Very low123 Ų123145.6 Ų145.680%0.79985%0.849SS**PPolyproline II helixtrans-70.7139.9174.1-14.228.9000112.6
55G44Very low44.4Very low78 Ų78143.2 Ų143.280%0.80485%0.848SS**PPolyproline II helixtrans-69134.3173.200000112.4
56A41.1Very low43.8Very low105 Ų105145.9 Ų145.987%0.86885%0.852SS**PPolyproline II helixtrans-81.7135.5-177.900000113
57E37Very low43.5Very low193 Ų193145.1 Ų145.190%0.90284%0.844SS**PPolyproline II helixtrans-78.9157.2173.8-72.7-172.215100113.4
58R43.1Very low43.4Very low243 Ų243148.1 Ų148.192%0.91785%0.847SS**PPolyproline II helixtrans-90.3145.7-179-69.8178.2169.8127.3-2.9112
59T38.4Very low42.9Very low150 Ų150147.6 Ų147.692%0.9285%0.845SS**  trans-140.2129.4152.419.80000108.8
60G38.8Very low42.9Very low72 Ų72147.4 Ų147.474%0.74284%0.843SS**  trans-104.1179.9-173.300000114.3
61S36.7Very low42.9Very low129 Ų129146 Ų14690%0.90284%0.837SS**  trans-162.8116.3147.1-77.90000111
62L40.6Very low43Very low187 Ų187142 Ų14298%0.97983%0.831SS**  trans-21.6146.1169.4-66.5151.7000122.4
63G35.3Very low43.2Very low69 Ų69142.5 Ų142.571%0.71184%0.836SS**  trans-169147149.900000110.2
64P46.8Very low43.6Very low142 Ų142143.2 Ų143.292%0.92284%0.839SS**  -97.5169.2-127.136.6-37.1000119.4
65Q46.2Very low44.2Very low196 Ų196141.8 Ų141.892%0.91684%0.838SS**  trans-65.4159.7-165.1-71169.8-37.600119.4
66K37.4Very low44.9Very low213 Ų213141.1 Ų141.193%0.92683%0.83SS**  trans-144.8120.7138.5-160.2173.1-177.8179.70109.5
67G42.6Very low45.9Very low57 Ų57140.1 Ų140.159%0.58882%0.815SS**  trans-77.5177.4178.800000113
68W41Very low47.2Very low261 Ų261136.6 Ų136.699%0.98981%0.809SS**  cis-166.116334.9-80.959.9000110.4
69K42.1Very low48.1Very low191 Ų191127 Ų12783%0.8379%0.785SS**  trans147.4118.4132.1-163.7178.4-173.8-171.30109.1
70G51.1Low49.3Very low63 Ų63127.1 Ų127.165%0.64977%0.773SS**  trans-101.9147.5-177.600000112.4
71E45.7Very low50.4Low167 Ų167134.8 Ų134.878%0.7878%0.78SS**  trans166.5171.8168.1-96.5156.5-146.100107.2
72P55Low51.7Low117 Ų117129.4 Ų129.476%0.7674%0.744SS**  cis-103.5178.5-30.3-1.524.3000112.4L74P72-L74 PolarHBondContact O-N 3.41Å
73G50.5Low52.8Low78 Ų78125 Ų12580%0.80473%0.727SS**PPolyproline II helixtrans-57.4131178.700000113.3A75G73-A75 PolarHBondContact O-N 3.26Å
74L54.4Low54.3Low173 Ų173127 Ų12791%0.90673%0.73SS**PPolyproline II helixtrans-56.8127.8-173.9-65170.5000111P72 G76P72-L74 PolarHBondContact O-N 3.41Å; L74-G76 PolarHBondContact O-N 3.46Å
75A60.8Low55.2Low94 Ų94121.6 Ų121.678%0.77770%0.7SS**PPolyproline II helixtrans-51.7139169.800000109.8G73G73-A75 PolarHBondContact O-N 3.26Å
76G59.2Low56.3Low63 Ų63118.8 Ų118.865%0.64969%0.687SS**PPolyproline II helixtrans-51.7136.6175.700000109.8L74L74-G76 PolarHBondContact O-N 3.46Å
77P60.5Low57.9Low84 Ų84114.2 Ų114.255%0.54568%0.679SS.*PPolyproline II helixtrans-55.8137.8-175.122.2-32.1000109.5G79 W287P77-G79 PolarHBondContact O-N 3.14Å; P77-W287 HydrophobicContact CG-CZ2 4.28Å
78P65.1Low59.1Low120 Ų120112.7 Ų112.778%0.77966%0.663SS**PPolyproline II helixtrans-48.4139.1174.9-26.933.6000110.6K80P78-K80 PolarHBondContact O-N 3.39Å
79G62.5Low60.7Low40 Ų40101.8 Ų101.841%0.41263%0.632SS.*PPolyproline II helixtrans-48.8133.3176.500000109.9P77 R81P77-G79 PolarHBondContact O-N 3.14Å; G79-R81 PolarHBondContact O-N 3.44Å
80K62Low62.2Low154 Ų15498.5 Ų98.567%0.6763%0.63SS**PPolyproline II helixtrans-52.7129.8-177.6-69.4179.1178.9178.60108.8P78 G82 W287P78-K80 PolarHBondContact O-N 3.39Å; K80-G82 PolarHBondContact O-N 3.41Å; K80-W287 HydrophobicContact CD-CZ3 4.2Å; K80-W287 HydrophobicContact CG-CZ3 4.12Å
81R63.3Low63.1Low233 Ų23396.9 Ų96.988%0.87961%0.613SS**PPolyproline II helixtrans-50.4129.9174.4-174.9-176.2-67.8-164.4-0.7107.9G79G79-R81 PolarHBondContact O-N 3.44Å
82G63.3Low64.3Low15 Ų1592 Ų9216%0.15560%0.598CS.*PPolyproline II helixtrans-54.2151.7174.900000110.5K80 S84K80-G82 PolarHBondContact O-N 3.41Å; G82-S84 PolarHBondContact O-N 3.01Å
83P64.6Low65.1Low96 Ų9690.5 Ų90.562%0.62360%0.595SS**PPolyproline II helixtrans-55.4136.5177.124-32.4000109.7G85 G294P83-G85 PolarHBondContact O-N 3.47Å; P83-G294 PolarHBondContact O-N 2.64Å
84S66.6Low66Low110 Ų11088 Ų8877%0.76957%0.57SS**PPolyproline II helixtrans-54.5141.1171.1-67.50000109.3G82G82-S84 PolarHBondContact O-N 3.01Å
85G64.4Low66.8Low28 Ų2886.3 Ų86.329%0.28956%0.56SS.*PPolyproline II helixtrans-56.5153.1175.500000111P83 G294P83-G85 PolarHBondContact O-N 3.47Å; G85-G294 WeakPolarHBondContact CA-O 3.26Å
86E69.9Low67.4Low138 Ų13886.7 Ų86.765%0.64555%0.554SS**PPolyproline II helixtrans-59.1139.8176-66.2-176.6162.300110.1G297E86-G297 PolarHBondContact O-N 3.34Å; E86-G297 VanDerWaalsContact O-N 3.1Å
87P71Confident68Low116 Ų11684.9 Ų84.975%0.75354%0.536SS*.PPolyproline II helixtrans-51.9144.5169.3-24.834.1000110.8
88G68.3Low68.5Low26 Ų2684.8 Ų84.827%0.26854%0.535SS..PPolyproline II helixtrans-58.4150.5172.200000111.1G297 D298G88-G297 WeakPolarHBondContact CA-O 3.33Å; G88-D298 WeakPolarHBondContact CA-O 3.43Å
89G74.3Confident68.8Low31 Ų3185 Ų8532%0.3254%0.537SS..PPolyproline II helixtrans-62.1154.6175.800000111.5G300G89-G300 PolarHBondContact O-N 2.68Å
90P73.7Confident69.1Low123 Ų12384.5 Ų84.580%0.79953%0.531SS*.PPolyproline II helixtrans-52.8144170.6-22.832.6000111.1
91G69.8Low69.4Low28 Ų2884 Ų8429%0.28953%0.531SS..PPolyproline II helixtrans-63154.8173.700000111.7G300G91-G300 WeakPolarHBondContact CA-O 3.41Å
92S71.1Confident69.5Low66 Ų6678.5 Ų78.546%0.46253%0.526SS..PPolyproline II helixtrans-59.8147.9175.556.60000111.4P302 G303S92-P302 WeakPolarHBondContact O-CA 3.35Å; S92-G303 PolarHBondContact O-N 2.98Å
93A71.6Confident69.4Low84 Ų8479.2 Ų79.269%0.69453%0.533SS*.PPolyproline II helixtrans-54.3141.7173.300000111.1
94G69.9Low69.1Low27 Ų2779.1 Ų79.128%0.27852%0.524SS..PPolyproline II helixtrans-63154175.700000111.6G303G94-G303 VanDerWaalsContact CA-O 3.23Å; G94-G303 WeakPolarHBondContact CA-O 3.49Å
95I72.1Confident68.4Low136 Ų13678.3 Ų78.370%0.69752%0.524SS*.PPolyproline II helixtrans-62.5134.8177.3-55171.8000108.5G306I95-G306 PolarHBondContact O-N 3.1Å
96P72.6Confident67.7Low102 Ų10278.2 Ų78.266%0.66252%0.523SS*.PPolyproline II helixtrans-52.6141173.2-26.734.8000111.7
97G71Confident66.6Low25 Ų2575.9 Ų75.926%0.25852%0.522SS..PPolyproline II helixtrans-61.6153.6175.600000111.4G306G97-G306 VanDerWaalsContact CA-O 3.27Å; G97-G306 WeakPolarHBondContact CA-O 3.45Å
98P71.2Confident65.4Low82 Ų8274.8 Ų74.853%0.53252%0.523SS..PPolyproline II helixtrans-59.8150.3174.126.5-33.8000110.7G100 P308 G309P98-G100 PolarHBondContact O-N 3.48Å; P98-P308 HydrophobicContact CG-CB 4.47Å; P98-G309 PolarHBondContact O-N 3.46Å
99P72.1Confident64.4Low126 Ų12677 Ų7782%0.81854%0.538SS*.PPolyproline II helixtrans-50.8141.2171.2-25.234000111.1
100G67.9Low63.2Low28 Ų2879.6 Ų79.629%0.28956%0.557SS.*PPolyproline II helixtrans-59.5148.2174.300000110.7P98 G309P98-G100 PolarHBondContact O-N 3.48Å; G100-G309 VanDerWaalsContact CA-O 3.32Å; G100-G309 WeakPolarHBondContact CA-O 3.32Å
101E68.8Low62.7Low144 Ų14481.1 Ų81.167%0.67355%0.553SS**PPolyproline II helixtrans-57.1143174.3-67.8-172.716300110.3G103E101-G103 PolarHBondContact O-N 2.98Å
102P65.7Low62.7Low118 Ų11886.3 Ų86.377%0.76657%0.57SS**PPolyproline II helixtrans-48.8138171-26.134.2000110.6
103G60.2Low63.1Low30 Ų3089.3 Ų89.331%0.30958%0.575SS.*PPolyproline II helixtrans-54144.8172.700000109.9E101 A105 G312E101-G103 PolarHBondContact O-N 2.98Å; G103-A105 PolarHBondContact O-N 3.4Å; G103-A105 VanDerWaalsContact O-N 3.16Å; G103-G312 WeakPolarHBondContact CA-O 3.33Å
104E58.9Low63.7Low94 Ų9486.5 Ų86.544%0.43955%0.552SS.*PPolyproline II helixtrans-53.8127.5172.8-83.4167-149.600108.6G106 K311 K314 G315E104-G106 PolarHBondContact O-N 3.46Å; E104-K311 IonicContact OE1-NZ 2.78Å; E104-K311 PolarHBondContact OE1-NZ 2.67Å; E104-K314 HydrophobicContact CB-CG 4.44Å; E104-K314 IonicContact OE2-NZ 3.78Å; E104-K314 PolarHBondContact OE2-NZ 3.48Å; E104-G315 PolarHBondContact O-N 2.85Å
105A52.1Low64.5Low92 Ų9287.6 Ų87.676%0.7656%0.558SS**PPolyproline II helixtrans-49120.9165.600000106.5G103 S107G103-A105 PolarHBondContact O-N 3.4Å; G103-A105 VanDerWaalsContact O-N 3.16Å; A105-S107 PolarHBondContact O-N 3Å; A105-S107 VanDerWaalsContact O-N 3.1Å
106G50.1Low65.4Low26 Ų2684 Ų8427%0.26854%0.538SS..PPolyproline II helixtrans-48.4128.2171.800000105.9E104 A108E104-G106 PolarHBondContact O-N 3.46Å; G106-A108 PolarHBondContact O-N 3.31Å
107S46.4Very low66.4Low89 Ų8981.8 Ų81.862%0.62253%0.525SS*.  trans-47.8112.9-178.554.40000105.7A105 A109A105-S107 PolarHBondContact O-N 3Å; A105-S107 VanDerWaalsContact O-N 3.1Å; S107-A109 PolarHBondContact O-N 3.37Å
108A46.7Very low67.4Low93 Ų9381.7 Ų81.777%0.76952%0.519SS*.  trans-57.397.5165.400000102.1G106 A110G106-A108 PolarHBondContact O-N 3.31Å; A108-A110 VanDerWaalsContact C-N 3.27Å; A108-A110 PolarHBondContact O-N 3.41Å
109A46.7Very low68.4Low73 Ų7379.3 Ų79.360%0.60351%0.506SS*.  trans-51110.2170.700000101.9S107 Q111S107-A109 PolarHBondContact O-N 3.37Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 WeakPolarHBondContact O-CA 3.21Å; A109-Q111 PolarHBondContact O-N 3.43Å
110A49.7Very low69.2Low86 Ų8677.1 Ų77.171%0.71148%0.482SS*.  trans-43.2107.9-168.800000105.8A108 Q112A108-A110 VanDerWaalsContact C-N 3.27Å; A108-A110 PolarHBondContact O-N 3.41Å; A110-Q112 WeakPolarHBondContact O-CA 3.11Å; A110-Q112 WeakPolarHBondContact O-CG 3.44Å; A110-Q112 PolarHBondContact O-N 3.31Å
111Q62.3Low70Confident154 Ų15478.4 Ų78.472%0.7250%0.495SS*.  trans-59.2106.9-155.2-157.4173.418.800105.3A109 K113A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 WeakPolarHBondContact O-CA 3.21Å; A109-Q111 PolarHBondContact O-N 3.43Å; Q111-K113 WeakPolarHBondContact O-CG 3.23Å; Q111-K113 PolarHBondContact O-N 3.48Å
112Q70.1Confident70.7Confident138 Ų13874.6 Ų74.665%0.64548%0.482SS*.  trans-67.1104-168.5-70.7-174.62.100106A110 V156A110-Q112 WeakPolarHBondContact O-CA 3.11Å; A110-Q112 WeakPolarHBondContact O-CG 3.44Å; A110-Q112 PolarHBondContact O-N 3.31Å; Q112-V156 HydrophobicContact CB-CB 4.43Å; Q112-V156 HydrophobicContact CB-CG1 3.81Å; Q112-V156 HydrophobicContact CB-CG2 3.74Å
113K79.8Confident71.5Confident128 Ų12874.1 Ų74.156%0.55748%0.481SS*.  trans-100.8141.1-175.4-75.2167-169.6-176.90108.7Q111 I141 R155Q111-K113 WeakPolarHBondContact O-CG 3.23Å; Q111-K113 PolarHBondContact O-N 3.48Å; K113-I141 HydrophobicContact CB-CG2 4.3Å; K113-R155 PolarHBondContact O-NH2 3.08Å
114A82.9Confident72.7Confident26 Ų2677.4 Ų77.422%0.21550%0.495CS..  trans-143.9115.1173.200000107.5D144 Y160A114-D144 VanDerWaalsContact CB-OD2 3.32Å; A114-D144 WeakPolarHBondContact CB-OD2 3.27Å; A114-Y160 HydrophobicContact CB-CE1 3.64Å
115A87.5Confident73.9Confident50 Ų5079.3 Ų79.341%0.41350%0.502SS..  trans-156.2142.8176.900000109.8I141A115-I141 HydrophobicContact CB-CD1 3.87Å; A115-I141 HydrophobicContact CB-CG1 4.46Å; A115-I141 WeakPolarHBondContact O-CB 3.4Å; A115-I141 PolarHBondContact O-N 3.2Å
116F91.1Very high75.5Confident60 Ų6077.1 Ų77.126%0.26348%0.48SS..EExtended strand (participates in β ladder)trans-143.7153.6175.368.8-84.2000110.8V118 T139 N140 F145 F152 F162F116-V118 HydrophobicContact CD2-CG1 4.2Å; F116-V118 HydrophobicContact CD2-CG2 4Å; F116-V118 HydrophobicContact CE2-CG2 4.14Å; F116-T139 CarbonylContact C-O 3.52Å; F116-T139 WeakPolarHBondContact CA-O 3.44Å; F116-N140 HydrophobicContact CB-CB 4.47Å; F116-F145 HydrophobicContact CB-CB 4.04Å; F116-F145 HydrophobicContact CD1-CB 4.24Å; F116-F145 HydrophobicContact CD2-CB 3.89Å; F116-F145 AromaticContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CE2 4.4Å; F116-F145 AromaticContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CE1-CD2 4.29Å; F116-F145 HydrophobicContact CE2-CB 4.44Å; F116-F145 AromaticContact CE2-CD2 3.35Å; F116-F145 HydrophobicContact CE2-CD2 3.35Å; F116-F145 AromaticContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CG 4.05Å; F116-F145 HydrophobicContact CG-CB 3.78Å; F116-F145 HydrophobicContact CG-CD2 4.23Å; F116-F145 HydrophobicContact CG-CG 4.26Å; F116-F145 AromaticContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CE2 4.25Å; F116-F152 AromaticContact CD1-CD2 3.6Å; F116-F152 HydrophobicContact CD1-CD2 3.6Å; F116-F152 AromaticContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CE1-CB 4.25Å; F116-F152 AromaticContact CE1-CD2 3.33Å; F116-F152 HydrophobicContact CE1-CD2 3.33Å; F116-F152 AromaticContact CE1-CE2 3.84Å; F116-F152 HydrophobicContact CE1-CE2 3.84Å; F116-F152 AromaticContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CZ-CB 4.39Å; F116-F152 HydrophobicContact CZ-CD2 4.24Å; F116-F162 HydrophobicContact CE1-CD1 4.08Å; F116-F162 AromaticContact CE1-CE1 3.63Å; F116-F162 HydrophobicContact CE1-CE1 3.63Å; F116-F162 AromaticContact CZ-CD1 3.83Å; F116-F162 HydrophobicContact CZ-CD1 3.83Å; F116-F162 AromaticContact CZ-CE1 3.73Å; F116-F162 HydrophobicContact CZ-CE1 3.73Å
117S93.4Very high77.2Confident55 Ų5579.2 Ų79.239%0.38550%0.495SS..EExtended strand (participates in β ladder)trans-139.1119.8167.5-174.70000107.1I138 T139S117-I138 WeakPolarHBondContact O-CA 3.22Å; S117-I138 WeakPolarHBondContact O-CB 3.47Å; S117-I138 PolarHBondContact O-N 3.29Å; S117-T139 PolarHBondContact N-O 2.82Å; S117-T139 PolarHBondContact O-N 3.49Å; S117-T139 VanDerWaalsContact O-O 3.07Å
118V92.3Very high79Confident24 Ų2484.6 Ų84.615%0.14551%0.507CS..EExtended strand (participates in β ladder)trans-131.8145.2-175.5-65.60000109.4F116 F134 K136 V137 F145F116-V118 HydrophobicContact CD2-CG1 4.2Å; F116-V118 HydrophobicContact CD2-CG2 4Å; F116-V118 HydrophobicContact CE2-CG2 4.14Å; V118-F134 HydrophobicContact CB-CB 3.75Å; V118-F134 HydrophobicContact CB-CG 4.46Å; V118-F134 HydrophobicContact CG2-CB 3.46Å; V118-F134 VanDerWaalsContact CG2-CB 3.46Å; V118-F134 HydrophobicContact CG2-CD1 4.21Å; V118-F134 HydrophobicContact CG2-CD2 4.25Å; V118-F134 HydrophobicContact CG2-CG 3.74Å; V118-K136 CarbonylContact C-O 3.55Å; V118-K136 WeakPolarHBondContact CA-O 3.5Å; V118-V137 HydrophobicContact CG1-CG2 4.42Å; V118-F145 HydrophobicContact CB-CD1 4.47Å; V118-F145 HydrophobicContact CB-CE1 4.4Å; V118-F145 HydrophobicContact CG1-CD1 3.78Å; V118-F145 HydrophobicContact CG1-CE1 4.18Å; V118-F145 HydrophobicContact CG1-CG 4.24Å; V118-F145 HydrophobicContact CG2-CD1 4.16Å; V118-F145 HydrophobicContact CG2-CE1 3.86Å; V118-F145 HydrophobicContact CG2-CE2 4.26Å; V118-F145 HydrophobicContact CG2-CG 4.5Å; V118-F145 HydrophobicContact CG2-CZ 3.92Å
119A91.9Very high80.8Confident32 Ų3286.1 Ų86.126%0.26451%0.513SS..EExtended strand (participates in β ladder)trans-122158.1179.600000110F134 T135 K136 I138A119-F134 CarbonylContact O-C 3.56Å; A119-T135 PolarHBondContact O-N 3Å; A119-K136 HydrophobicContact CB-CB 4.24Å; A119-K136 PolarHBondContact N-O 2.82Å; A119-K136 WeakPolarHBondContact O-CB 3.3Å; A119-K136 PolarHBondContact O-N 3.08Å; A119-I138 HydrophobicContact CB-CD1 4.15Å
120R88.7Confident82.8Confident79 Ų7985.3 Ų85.330%0.29850%0.502SS..  trans-90.8115.1176-166.8166.6-171.1-81.2-1.1109.4T122 V124 F134R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 HydrophobicContact CG-CG2 4.28Å; R120-T122 VanDerWaalsContact CZ-CG2 3.42Å; R120-T122 VanDerWaalsContact NH1-CG2 3.3Å; R120-T122 PolarHBondContact NH1-O 3.41Å; R120-T122 PolarHBondContact O-N 3.22Å; R120-V124 PolarHBondContact NH1-O 3.31Å; R120-V124 PolarHBondContact NH2-O 3.4Å; R120-F134 HydrophobicContact CB-CD1 4.21Å
121G84.9Confident84.7Confident55 Ų5584.7 Ų84.757%0.56749%0.49SS*.  trans-87.815.6-175.500000115.4T135G121-T135 PolarHBondContact N-OG1 3.27Å
122T84.6Confident86Confident64 Ų6479.3 Ų79.339%0.39347%0.465SS..  trans-136.7147.6-178.2178.60000111.2R120 V124R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 HydrophobicContact CG-CG2 4.28Å; R120-T122 VanDerWaalsContact CZ-CG2 3.42Å; R120-T122 VanDerWaalsContact NH1-CG2 3.3Å; R120-T122 PolarHBondContact NH1-O 3.41Å; R120-T122 PolarHBondContact O-N 3.22Å; T122-V124 PolarHBondContact OG1-N 3.49Å
123S81.8Confident87Confident109 Ų10979.6 Ų79.676%0.76246%0.461SS*.  trans-86.7-15.1175530000113.1F125S123-F125 PolarHBondContact O-N 3.32Å
124V85.8Confident87.5Confident99 Ų9976.1 Ų76.160%0.645%0.446SS*.SBendtrans-67.7125179.1178.80000109.3R120 T122R120-V124 PolarHBondContact NH1-O 3.31Å; R120-V124 PolarHBondContact NH2-O 3.4Å; T122-V124 PolarHBondContact OG1-N 3.49Å
125F83.1Confident88Confident134 Ų13478.8 Ų78.859%0.58846%0.459SS*.PPolyproline II helixtrans-63.7144.6-179-63.6-78.9000112.6S123S123-F125 PolarHBondContact O-N 3.32Å
126P85.9Confident88.2Confident45 Ų4582.7 Ų82.729%0.29247%0.467SS..PPolyproline II helixtrans-59.2147.8169.9-19.831.4000111.6I132P126-I132 HydrophobicContact CG-CG1 4.28Å; P126-I132 HydrophobicContact CG-CG2 4.29Å
127A86.4Confident88.4Confident71 Ų7183.1 Ų83.159%0.58747%0.474SS*.PPolyproline II helixtrans-61.9148.8172.800000110.9S129 S130A127-S129 PolarHBondContact O-N 3.2Å; A127-S130 PolarHBondContact N-OG 2.78Å; A127-S130 WeakPolarHBondContact O-CB 3.32Å; A127-S130 PolarHBondContact O-N 2.8Å; A127-S130 VanDerWaalsContact O-N 3.16Å; A127-S130 PolarHBondContact O-OG 3.08Å
128K83.9Confident88.4Confident201 Ų20185.6 Ų85.687%0.87448%0.482SS*.THydrogen-bonded Turntrans-58.4134.8179.4-171.5178.9178.8-175.70110.3S130K128-S130 PolarHBondContact O-N 2.83Å
129S84.4Confident88.4Confident126 Ų12687.8 Ų87.888%0.88150%0.496SS*.THydrogen-bonded Turntrans60.519.1-179.3-52.80000115.3A127A127-S129 PolarHBondContact O-N 3.2Å
130S89.5Confident88.3Confident55 Ų5587.5 Ų87.539%0.38549%0.49SS..  trans-97.6159.8176.372.40000112.8A127 K128 I132A127-S130 PolarHBondContact N-OG 2.78Å; A127-S130 WeakPolarHBondContact O-CB 3.32Å; A127-S130 PolarHBondContact O-N 2.8Å; A127-S130 VanDerWaalsContact O-N 3.16Å; A127-S130 PolarHBondContact O-OG 3.08Å; K128-S130 PolarHBondContact O-N 2.83Å; S130-I132 PolarHBondContact O-N 3.29Å
131T88.3Confident88.3Confident73 Ų7386.6 Ų86.645%0.44849%0.49SS..  trans-65.3129171.8-570000110.5R133 T149T131-R133 PolarHBondContact O-N 3.29Å; T131-T149 WeakPolarHBondContact CG2-O 3.29Å
132I89.6Confident88.5Confident41 Ų4190.1 Ų90.121%0.2149%0.492CS..  trans-75.6113.6176.6-56.4176.5000108.5P126 S130 F134 V174P126-I132 HydrophobicContact CG-CG1 4.28Å; P126-I132 HydrophobicContact CG-CG2 4.29Å; S130-I132 PolarHBondContact O-N 3.29Å; I132-F134 HydrophobicContact CB-CE2 4.17Å; I132-F134 HydrophobicContact CB-CZ 4.5Å; I132-F134 HydrophobicContact CG2-CD2 4.4Å; I132-F134 HydrophobicContact CG2-CE1 4.41Å; I132-F134 HydrophobicContact CG2-CE2 3.79Å; I132-F134 HydrophobicContact CG2-CZ 3.79Å; I132-F134 WeakPolarHBondContact O-CD2 3.26Å; I132-V174 HydrophobicContact CD1-CG1 4.01Å; I132-V174 HydrophobicContact CD1-CG2 4.08Å
133R90.5Very high88.9Confident145 Ų14593.3 Ų93.355%0.54751%0.506SS..  trans-86.2131.4175.2-66.4-177.8174.2-163.2-9.7111.3T131 E148T131-R133 PolarHBondContact O-N 3.29Å; R133-E148 WeakPolarHBondContact CD-O 3.46Å; R133-E148 PolarHBondContact NE-O 3.4Å; R133-E148 PolarHBondContact NH1-O 2.92Å; R133-E148 PolarHBondContact NH2-O 3.13Å; R133-E148 VanDerWaalsContact NH2-O 3.11Å
134F91.1Very high89.1Confident55 Ų5588.6 Ų88.624%0.24147%0.473CS..  trans-109.9107.5173.5-61.3-93.3000108.3V118 A119 R120 I132 F145 T147V118-F134 HydrophobicContact CB-CB 3.75Å; V118-F134 HydrophobicContact CB-CG 4.46Å; V118-F134 HydrophobicContact CG2-CB 3.46Å; V118-F134 VanDerWaalsContact CG2-CB 3.46Å; V118-F134 HydrophobicContact CG2-CD1 4.21Å; V118-F134 HydrophobicContact CG2-CD2 4.25Å; V118-F134 HydrophobicContact CG2-CG 3.74Å; A119-F134 CarbonylContact O-C 3.56Å; R120-F134 HydrophobicContact CB-CD1 4.21Å; I132-F134 HydrophobicContact CB-CE2 4.17Å; I132-F134 HydrophobicContact CB-CZ 4.5Å; I132-F134 HydrophobicContact CG2-CD2 4.4Å; I132-F134 HydrophobicContact CG2-CE1 4.41Å; I132-F134 HydrophobicContact CG2-CE2 3.79Å; I132-F134 HydrophobicContact CG2-CZ 3.79Å; I132-F134 WeakPolarHBondContact O-CD2 3.26Å; F134-F145 HydrophobicContact CB-CE1 4.16Å; F134-F145 HydrophobicContact CB-CZ 4.29Å; F134-F145 AromaticContact CD2-CZ 3.93Å; F134-F145 HydrophobicContact CD2-CZ 3.93Å; F134-T147 WeakPolarHBondContact O-CB 3.26Å; F134-T147 WeakPolarHBondContact O-CG2 3.47Å
135T92.6Very high89.4Confident82 Ų8284.5 Ų84.550%0.50345%0.447SS..  trans-94.6-17-17052.10000113.7A119 G121A119-T135 PolarHBondContact O-N 3Å; G121-T135 PolarHBondContact N-OG1 3.27Å
136K93Very high89.8Confident131 Ų13181.4 Ų81.457%0.5744%0.437SS*.EExtended strand (participates in β ladder)trans-103.6114.6-178.7-176.2176.8-179.3179.20109.5V118 A119V118-K136 CarbonylContact C-O 3.55Å; V118-K136 WeakPolarHBondContact CA-O 3.5Å; A119-K136 HydrophobicContact CB-CB 4.24Å; A119-K136 PolarHBondContact N-O 2.82Å; A119-K136 WeakPolarHBondContact O-CB 3.3Å; A119-K136 PolarHBondContact O-N 3.08Å
137V94.3Very high90.1Very high69 Ų6981.3 Ų81.342%0.41844%0.435SS..EExtended strand (participates in β ladder)trans-83130.9174.6-1790000109.7V118 N140 T147V118-V137 HydrophobicContact CG1-CG2 4.42Å; V137-N140 HydrophobicContact CG1-CB 3.64Å; V137-T147 HydrophobicContact CG2-CG2 3.53Å
138I92.9Very high90.3Very high107 Ų10784.7 Ų84.755%0.54944%0.439SS..EExtended strand (participates in β ladder)trans-98.2-45.9166.2-58.6166.9000108.5S117 A119S117-I138 WeakPolarHBondContact O-CA 3.22Å; S117-I138 WeakPolarHBondContact O-CB 3.47Å; S117-I138 PolarHBondContact O-N 3.29Å; A119-I138 HydrophobicContact CB-CD1 4.15Å
139T92.4Very high90.6Very high71 Ų7177.7 Ų77.744%0.43641%0.413SS..EExtended strand (participates in β ladder)trans-149.9142.1173.4-55.70000108.8F116 S117 I141F116-T139 CarbonylContact C-O 3.52Å; F116-T139 WeakPolarHBondContact CA-O 3.44Å; S117-T139 PolarHBondContact N-O 2.82Å; S117-T139 PolarHBondContact O-N 3.49Å; S117-T139 VanDerWaalsContact O-O 3.07Å; T139-I141 HydrophobicContact CG2-CG1 4.27Å
140N91.4Very high90.8Very high25 Ų2572.2 Ų72.213%0.13438%0.377CS..EExtended strand (participates in β ladder)trans-154.586176.5-168.416.7000109.8F116 V137 E142 N143 D144 F145F116-N140 HydrophobicContact CB-CB 4.47Å; V137-N140 HydrophobicContact CG1-CB 3.64Å; N140-E142 PolarHBondContact O-N 3.37Å; N140-N143 PolarHBondContact O-N 3.4Å; N140-D144 PolarHBondContact OD1-N 3.09Å; N140-F145 PolarHBondContact ND2-O 2.79Å; N140-F145 PolarHBondContact OD1-N 2.9Å
141I88.9Confident90.6Very high60 Ų6074.2 Ų74.231%0.30838%0.379SS..G310 helixtrans-65.8129-177.4-61.8-178.9000108.8K113 A115 T139 N143 D144K113-I141 HydrophobicContact CB-CG2 4.3Å; A115-I141 HydrophobicContact CB-CD1 3.87Å; A115-I141 HydrophobicContact CB-CG1 4.46Å; A115-I141 WeakPolarHBondContact O-CB 3.4Å; A115-I141 PolarHBondContact O-N 3.2Å; T139-I141 HydrophobicContact CG2-CG1 4.27Å; I141-N143 PolarHBondContact O-N 3.42Å; I141-D144 PolarHBondContact O-N 3.47Å
142E88.8Confident90.6Very high129 Ų12973 Ų7360%0.60337%0.368SS*.G310 helixtrans56.317.7179.8-58.5-62.5140.200114.7N140 D144 R155N140-E142 PolarHBondContact O-N 3.37Å; E142-D144 PolarHBondContact O-N 3.38Å; E142-R155 VanDerWaalsContact CG-NH2 3.31Å
143N92.1Very high90.4Very high131 Ų13180.4 Ų80.470%0.70139%0.394SS*.G310 helixtrans54.333.2-179.2-60.7-56.2000114.7N140 I141 F145N140-N143 PolarHBondContact O-N 3.4Å; I141-N143 PolarHBondContact O-N 3.42Å; N143-F145 PolarHBondContact O-N 3.37Å
144D87.1Confident89.9Confident10 Ų1077 Ų775%0.05339%0.391CS..  trans-66.8-20.8-179-68.4-34.6000112.3A114 N140 I141 E142 F152 R153 R155A114-D144 VanDerWaalsContact CB-OD2 3.32Å; A114-D144 WeakPolarHBondContact CB-OD2 3.27Å; N140-D144 PolarHBondContact OD1-N 3.09Å; I141-D144 PolarHBondContact O-N 3.47Å; E142-D144 PolarHBondContact O-N 3.38Å; D144-F152 HydrophobicContact CB-CD2 4.14Å; D144-F152 HydrophobicContact CB-CE2 3.6Å; D144-F152 HydrophobicContact CB-CZ 4.36Å; D144-R153 PolarHBondContact O-N 3.29Å; D144-R155 WeakPolarHBondContact OD1-CB 3.32Å; D144-R155 IonicContact OD1-CZ 3.89Å; D144-R155 IonicContact OD1-NE 3.93Å; D144-R155 PolarHBondContact OD1-NE 3.06Å; D144-R155 IonicContact OD1-NH2 2.77Å; D144-R155 IonicContact OD2-CZ 2.85Å; D144-R155 IonicContact OD2-NE 3.77Å; D144-R155 IonicContact OD2-NH2 3.05Å; D144-R155 PolarHBondContact OD2-NH2 2.84Å; D144-R155 VanDerWaalsContact OD2-NH2 3.11Å
145F90.2Very high89.5Confident14 Ų1479.5 Ų79.56%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-96.7123169.3-168.5-86.1000112.1F116 V118 F134 N140 N143 T147 F152F116-F145 HydrophobicContact CB-CB 4.04Å; F116-F145 HydrophobicContact CD1-CB 4.24Å; F116-F145 HydrophobicContact CD2-CB 3.89Å; F116-F145 AromaticContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CE2 4.4Å; F116-F145 AromaticContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CE1-CD2 4.29Å; F116-F145 HydrophobicContact CE2-CB 4.44Å; F116-F145 AromaticContact CE2-CD2 3.35Å; F116-F145 HydrophobicContact CE2-CD2 3.35Å; F116-F145 AromaticContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CG 4.05Å; F116-F145 HydrophobicContact CG-CB 3.78Å; F116-F145 HydrophobicContact CG-CD2 4.23Å; F116-F145 HydrophobicContact CG-CG 4.26Å; F116-F145 AromaticContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CE2 4.25Å; V118-F145 HydrophobicContact CB-CD1 4.47Å; V118-F145 HydrophobicContact CB-CE1 4.4Å; V118-F145 HydrophobicContact CG1-CD1 3.78Å; V118-F145 HydrophobicContact CG1-CE1 4.18Å; V118-F145 HydrophobicContact CG1-CG 4.24Å; V118-F145 HydrophobicContact CG2-CD1 4.16Å; V118-F145 HydrophobicContact CG2-CE1 3.86Å; V118-F145 HydrophobicContact CG2-CE2 4.26Å; V118-F145 HydrophobicContact CG2-CG 4.5Å; V118-F145 HydrophobicContact CG2-CZ 3.92Å; F134-F145 HydrophobicContact CB-CE1 4.16Å; F134-F145 HydrophobicContact CB-CZ 4.29Å; F134-F145 AromaticContact CD2-CZ 3.93Å; F134-F145 HydrophobicContact CD2-CZ 3.93Å; N140-F145 PolarHBondContact ND2-O 2.79Å; N140-F145 PolarHBondContact OD1-N 2.9Å; N143-F145 PolarHBondContact O-N 3.37Å; F145-T147 HydrophobicContact CD1-CG2 4.21Å; F145-T147 HydrophobicContact CE1-CG2 4.46Å; F145-F152 HydrophobicContact CD2-CB 4.04Å
146N91.4Very high88.6Confident69 Ų6976.5 Ų76.537%0.36938%0.38SS..EExtended strand (participates in β ladder)trans-92.8112176-176.9-40.3000110.7E148 T149 G150 H151N146-E148 VanDerWaalsContact C-N 3.34Å; N146-E148 PolarHBondContact O-N 3.07Å; N146-E148 WeakPolarHBondContact OD1-CA 2.83Å; N146-E148 WeakPolarHBondContact OD1-CB 3.3Å; N146-E148 PolarHBondContact OD1-N 3.07Å; N146-T149 WeakPolarHBondContact CB-OG1 3.32Å; N146-T149 PolarHBondContact OD1-N 2.9Å; N146-G150 WeakPolarHBondContact O-CA 3.44Å; N146-G150 PolarHBondContact O-N 3.33Å; N146-H151 PolarHBondContact N-O 3.49Å; N146-H151 PolarHBondContact O-N 2.83Å
147T92.8Very high87.5Confident42 Ų4274.8 Ų74.826%0.25838%0.383SS..THydrogen-bonded Turntrans-72.2-24.4-178.552.30000114.1F134 V137 F145F134-T147 WeakPolarHBondContact O-CB 3.26Å; F134-T147 WeakPolarHBondContact O-CG2 3.47Å; V137-T147 HydrophobicContact CG2-CG2 3.53Å; F145-T147 HydrophobicContact CD1-CG2 4.21Å; F145-T147 HydrophobicContact CE1-CG2 4.46Å
148E91.8Very high86.5Confident143 Ų14373 Ų7367%0.66838%0.379SS*.THydrogen-bonded Turntrans-73.7-41.9177.6-58.1-178.1169.600110.6R133 N146R133-E148 WeakPolarHBondContact CD-O 3.46Å; R133-E148 PolarHBondContact NE-O 3.4Å; R133-E148 PolarHBondContact NH1-O 2.92Å; R133-E148 PolarHBondContact NH2-O 3.13Å; R133-E148 VanDerWaalsContact NH2-O 3.11Å; N146-E148 VanDerWaalsContact C-N 3.34Å; N146-E148 PolarHBondContact O-N 3.07Å; N146-E148 WeakPolarHBondContact OD1-CA 2.83Å; N146-E148 WeakPolarHBondContact OD1-CB 3.3Å; N146-E148 PolarHBondContact OD1-N 3.07Å
149T89.8Confident85.6Confident53 Ų5371.6 Ų71.633%0.32537%0.371SS..THydrogen-bonded Turntrans-91.5-25.5-178.470.60000112.6T131 N146 H151T131-T149 WeakPolarHBondContact CG2-O 3.29Å; N146-T149 WeakPolarHBondContact CB-OG1 3.32Å; N146-T149 PolarHBondContact OD1-N 2.9Å; T149-H151 WeakPolarHBondContact CB-ND1 3.48Å; T149-H151 PolarHBondContact O-CE1 3.18Å; T149-H151 PolarHBondContact O-ND1 3.02Å; T149-H151 PolarHBondContact OG1-N 3.35Å; T149-H151 PolarHBondContact OG1-ND1 2.88Å
150G87.5Confident85Confident12 Ų1271.5 Ų71.512%0.12436%0.363CS..THydrogen-bonded Turntrans78.718.5-171.500000114N146N146-G150 WeakPolarHBondContact O-CA 3.44Å; N146-G150 PolarHBondContact O-N 3.33Å
151H86.4Confident84.7Confident96 Ų9674.5 Ų74.544%0.44437%0.373SS..EExtended strand (participates in β ladder)trans-111.6142.4-176.6-62.182.9000112N146 T149N146-H151 PolarHBondContact N-O 3.49Å; N146-H151 PolarHBondContact O-N 2.83Å; T149-H151 WeakPolarHBondContact CB-ND1 3.48Å; T149-H151 PolarHBondContact O-CE1 3.18Å; T149-H151 PolarHBondContact O-ND1 3.02Å; T149-H151 PolarHBondContact OG1-N 3.35Å; T149-H151 PolarHBondContact OG1-ND1 2.88Å
152F88.7Confident84.6Confident48 Ų4875.5 Ų75.521%0.21138%0.375CS..EExtended strand (participates in β ladder)trans-90.2133.6165.9173.2-98.2000109.9F116 D144 F145 C154 Y160 F162F116-F152 AromaticContact CD1-CD2 3.6Å; F116-F152 HydrophobicContact CD1-CD2 3.6Å; F116-F152 AromaticContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CE1-CB 4.25Å; F116-F152 AromaticContact CE1-CD2 3.33Å; F116-F152 HydrophobicContact CE1-CD2 3.33Å; F116-F152 AromaticContact CE1-CE2 3.84Å; F116-F152 HydrophobicContact CE1-CE2 3.84Å; F116-F152 AromaticContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CZ-CB 4.39Å; F116-F152 HydrophobicContact CZ-CD2 4.24Å; D144-F152 HydrophobicContact CB-CD2 4.14Å; D144-F152 HydrophobicContact CB-CE2 3.6Å; D144-F152 HydrophobicContact CB-CZ 4.36Å; F145-F152 HydrophobicContact CD2-CB 4.04Å; F152-C154 HydrophobicContact CE1-CB 4.12Å; F152-Y160 HydrophobicContact CE1-CD1 4.33Å; F152-Y160 HydrophobicContact CE1-CE1 4.22Å; F152-Y160 AromaticContact CZ-CD1 3.96Å; F152-Y160 HydrophobicContact CZ-CD1 3.96Å; F152-Y160 AromaticContact CZ-CE1 3.6Å; F152-Y160 HydrophobicContact CZ-CE1 3.6Å; F152-F162 HydrophobicContact CB-CE1 4.18Å; F152-F162 AromaticContact CD1-CE1 3.84Å; F152-F162 HydrophobicContact CD1-CE1 3.84Å; F152-F162 AromaticContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD2-CE1 4.42Å; F152-F162 HydrophobicContact CE1-CE1 4.32Å; F152-F162 AromaticContact CE1-CZ 3.73Å; F152-F162 HydrophobicContact CE1-CZ 3.73Å; F152-F162 AromaticContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CZ 4.06Å; F152-F162 HydrophobicContact CZ-CZ 4.43Å
153R85.5Confident84.5Confident197 Ų19772.9 Ų72.974%0.74337%0.368SS*.  trans-106.4119.2173.6179.3-177.5168.2104.70.2109.3D144 R155D144-R153 PolarHBondContact O-N 3.29Å; R153-R155 PolarHBondContact O-N 3.17Å; R153-R155 VanDerWaalsContact O-N 3.15Å
154C79.4Confident84.2Confident74 Ų7469.9 Ų69.950%0.535%0.347SS..  trans-71.5107.3172.9-173.60000110.2F152 V156F152-C154 HydrophobicContact CE1-CB 4.12Å; C154-V156 PolarHBondContact SG-O 3.29Å
155R82.5Confident84.1Confident107 Ų10777 Ų7740%0.40438%0.38SS..  trans-91-35.8172.7179174.351.589.121112.2K113 E142 D144 R153K113-R155 PolarHBondContact O-NH2 3.08Å; E142-R155 VanDerWaalsContact CG-NH2 3.31Å; D144-R155 WeakPolarHBondContact OD1-CB 3.32Å; D144-R155 IonicContact OD1-CZ 3.89Å; D144-R155 IonicContact OD1-NE 3.93Å; D144-R155 PolarHBondContact OD1-NE 3.06Å; D144-R155 IonicContact OD1-NH2 2.77Å; D144-R155 IonicContact OD2-CZ 2.85Å; D144-R155 IonicContact OD2-NE 3.77Å; D144-R155 IonicContact OD2-NH2 3.05Å; D144-R155 PolarHBondContact OD2-NH2 2.84Å; D144-R155 VanDerWaalsContact OD2-NH2 3.11Å; R153-R155 PolarHBondContact O-N 3.17Å; R153-R155 VanDerWaalsContact O-N 3.15Å
156V74.1Confident83.8Confident18 Ų1879.1 Ų79.111%0.10940%0.4CS..SBendtrans-109116.4-177-1790000108.5Q112 C154 G158 Y160Q112-V156 HydrophobicContact CB-CB 4.43Å; Q112-V156 HydrophobicContact CB-CG1 3.81Å; Q112-V156 HydrophobicContact CB-CG2 3.74Å; C154-V156 PolarHBondContact SG-O 3.29Å; V156-G158 PolarHBondContact O-N 3.22Å; V156-Y160 WeakPolarHBondContact O-CE2 3.41Å; V156-Y160 PolarHBondContact O-OH 2.85Å
157P69.6Low83.2Confident95 Ų9581.9 Ų81.962%0.61743%0.425SS*.  trans-63.7130.4176.926.7-33.1000109.9
158G72.6Confident82.2Confident33 Ų3381.6 Ų81.634%0.3442%0.422SS..SBendtrans170-175.3-177.200000113V156 Y160V156-G158 PolarHBondContact O-N 3.22Å; G158-Y160 WeakPolarHBondContact O-CD2 3.28Å
159M74.1Confident81.1Confident77 Ų7781.2 Ų81.238%0.37942%0.42SS..  trans-91.1131.7176.3-62.9-53.2-54.300109.9F327 F358M159-F327 HydrophobicContact CE-CD2 4.04Å; M159-F327 HydrophobicContact CE-CE1 4.44Å; M159-F327 HydrophobicContact CE-CE2 3.33Å; M159-F327 HydrophobicContact CE-CZ 3.56Å; M159-F327 HydrophobicContact CG-CD1 4.48Å; M159-F327 HydrophobicContact CG-CE1 3.91Å; M159-F327 HydrophobicContact CG-CE2 4.45Å; M159-F327 HydrophobicContact CG-CZ 3.89Å; M159-F327 HydrophobicContact SD-CE1 4.3Å; M159-F327 HydrophobicContact SD-CE2 4.11Å; M159-F327 HydrophobicContact SD-CZ 3.68Å; M159-F358 HydrophobicContact SD-CB 4.09Å; M159-F358 HydrophobicContact SD-CD1 4.42Å
160Y81Confident80.4Confident68 Ų6883.6 Ų83.627%0.26743%0.43SS..  trans-123143.4-179-69.9-95.3000110.5A114 F152 V156 G158 F162A114-Y160 HydrophobicContact CB-CE1 3.64Å; F152-Y160 HydrophobicContact CE1-CD1 4.33Å; F152-Y160 HydrophobicContact CE1-CE1 4.22Å; F152-Y160 AromaticContact CZ-CD1 3.96Å; F152-Y160 HydrophobicContact CZ-CD1 3.96Å; F152-Y160 AromaticContact CZ-CE1 3.6Å; F152-Y160 HydrophobicContact CZ-CE1 3.6Å; V156-Y160 WeakPolarHBondContact O-CE2 3.41Å; V156-Y160 PolarHBondContact O-OH 2.85Å; G158-Y160 WeakPolarHBondContact O-CD2 3.28Å; Y160-F162 VanDerWaalsContact CB-CE2 3.43Å; Y160-F162 HydrophobicContact CG-CE2 4.29Å; Y160-F162 HydrophobicContact CG-CZ 4.42Å
161Y84.1Confident79.9Confident88 Ų8890 Ų9035%0.34546%0.455SS..  trans-108.4118.4171.7177.5-113.3000109.3V163 F377 T448 F450Y161-V163 HydrophobicContact CE1-CB 3.89Å; Y161-V163 HydrophobicContact CE1-CG1 3.85Å; Y161-F377 HydrophobicContact CE1-CE1 4.1Å; Y161-F377 AromaticContact CZ-CE1 3.85Å; Y161-T448 HydrophobicContact CD2-CG2 4.42Å; Y161-T448 HydrophobicContact CE2-CG2 4.35Å; Y161-F450 HydrophobicContact CD1-CE1 4.29Å; Y161-F450 HydrophobicContact CD1-CZ 4.44Å; Y161-F450 AromaticContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CE2-CE1 4.38Å; Y161-F450 AromaticContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CZ 4.36Å
162F86.2Confident79.7Confident81 Ų8187.8 Ų87.836%0.35545%0.446SS..  trans-110127.7176.3-64.3-89.9000109.5F116 F152 Y160 L176F116-F162 HydrophobicContact CE1-CD1 4.08Å; F116-F162 AromaticContact CE1-CE1 3.63Å; F116-F162 HydrophobicContact CE1-CE1 3.63Å; F116-F162 AromaticContact CZ-CD1 3.83Å; F116-F162 HydrophobicContact CZ-CD1 3.83Å; F116-F162 AromaticContact CZ-CE1 3.73Å; F116-F162 HydrophobicContact CZ-CE1 3.73Å; F152-F162 HydrophobicContact CB-CE1 4.18Å; F152-F162 AromaticContact CD1-CE1 3.84Å; F152-F162 HydrophobicContact CD1-CE1 3.84Å; F152-F162 AromaticContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD2-CE1 4.42Å; F152-F162 HydrophobicContact CE1-CE1 4.32Å; F152-F162 AromaticContact CE1-CZ 3.73Å; F152-F162 HydrophobicContact CE1-CZ 3.73Å; F152-F162 AromaticContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CZ 4.06Å; F152-F162 HydrophobicContact CZ-CZ 4.43Å; Y160-F162 VanDerWaalsContact CB-CE2 3.43Å; Y160-F162 HydrophobicContact CG-CE2 4.29Å; Y160-F162 HydrophobicContact CG-CZ 4.42Å; F162-L176 HydrophobicContact CB-CD2 4.34Å
163V87.7Confident79.5Confident74 Ų7488.3 Ų88.345%0.44846%0.455SS..  trans-136.2146.8174.863.70000108.9Y161Y161-V163 HydrophobicContact CE1-CB 3.89Å; Y161-V163 HydrophobicContact CE1-CG1 3.85Å
164Y86.4Confident79.5Confident68 Ų6879.8 Ų79.827%0.26743%0.425SS..  trans-137.9151.2173.965.6-92.6000110.1V174 F186Y164-V174 HydrophobicContact CD2-CG1 4.19Å; Y164-V174 HydrophobicContact CE1-CG1 3.98Å; Y164-V174 HydrophobicContact CE2-CB 3.66Å; Y164-V174 HydrophobicContact CE2-CG1 3.63Å; Y164-V174 HydrophobicContact CE2-CG2 4.02Å; Y164-V174 VanDerWaalsContact CZ-CG1 3.5Å; Y164-V174 WeakPolarHBondContact OH-CB 3.46Å; Y164-F186 VanDerWaalsContact OH-CD2 3.31Å; Y164-F186 WeakPolarHBondContact OH-CD2 3.49Å
165H84.9Confident79.9Confident159 Ų15981.1 Ų81.174%0.73642%0.424SS*.  trans-125.4129.2168.9-62.2-79.5000107.6
166A82.8Confident80.1Confident59 Ų5978.6 Ų78.649%0.48842%0.418SS..  trans-127.3129.6-179.300000109.6L172A166-L172 HydrophobicContact CB-CD2 3.78Å
167S78.3Confident80.5Confident127 Ų12782.9 Ų82.989%0.88844%0.435SS*.  trans-87.7141.9172.9-58.40000109.9
168L71.9Confident81Confident37 Ų3782.1 Ų82.119%0.19443%0.425CS..  trans-135.5140.5-171.2-179.859.8000111.8D170 L172 D188L168-D170 WeakPolarHBondContact CD2-O 3.38Å; L168-D170 WeakPolarHBondContact CG-O 3.26Å; L168-L172 HydrophobicContact CD1-CB 3.37Å; L168-L172 HydrophobicContact CD1-CD2 4.48Å; L168-L172 HydrophobicContact CD2-CB 3.77Å; L168-L172 HydrophobicContact CG-CB 4.08Å; L168-D188 HydrophobicContact CD2-CB 3.98Å; L168-D188 WeakPolarHBondContact CD2-O 3.47Å
169E70.1Confident81.4Confident134 Ų13487 Ų8763%0.62644%0.444SS*.SBendtrans-100.1-23.2170.9-66-174.8-177.500114.2
170D74.4Confident81.6Confident103 Ų10390 Ų9055%0.55146%0.461SS*.SBendtrans-140.5-104-177.7-169.410.7000112.1L168 R190L168-D170 WeakPolarHBondContact CD2-O 3.38Å; L168-D170 WeakPolarHBondContact CG-O 3.26Å; D170-R190 PolarHBondContact O-N 3.36Å
171K77.5Confident81.6Confident148 Ų14892 Ų9264%0.64348%0.477SS*.EExtended strand (participates in β ladder)trans-118.8128.4179.6-176.2179.5178.1179.50112.5
172L82.3Confident81.5Confident49 Ų4992 Ų9226%0.25748%0.482SS..EExtended strand (participates in β ladder)trans-141131.9176.717569.5000110.7A166 L168 V174 C187 D188A166-L172 HydrophobicContact CB-CD2 3.78Å; L168-L172 HydrophobicContact CD1-CB 3.37Å; L168-L172 HydrophobicContact CD1-CD2 4.48Å; L168-L172 HydrophobicContact CD2-CB 3.77Å; L168-L172 HydrophobicContact CG-CB 4.08Å; L172-V174 HydrophobicContact CD1-CG2 4.02Å; L172-V174 HydrophobicContact CD2-CG2 3.79Å; L172-V174 HydrophobicContact CG-CG2 3.75Å; L172-C187 CarbonylContact O-C 3.56Å; L172-C187 VanDerWaalsContact O-CA 3.3Å; L172-C187 WeakPolarHBondContact O-CA 3.24Å; L172-D188 PolarHBondContact N-O 3.48Å; L172-D188 PolarHBondContact O-N 3.41Å
173C83.9Confident81.3Confident59 Ų5989.4 Ų89.440%0.39947%0.472SS..EExtended strand (participates in β ladder)trans-118.7121.2167.9-70.90000108.1F186 C187C173-F186 WeakPolarHBondContact CA-O 3.39Å; C173-C187 HydrophobicContact CB-CB 4.15Å; C173-C187 WeakPolarHBondContact CB-SG 3.37Å; C173-C187 WeakPolarHBondContact SG-CB 3.46Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 3.25Å
174V86.6Confident81Confident18 Ų1886.3 Ų86.311%0.10945%0.453CS..EExtended strand (participates in β ladder)trans-107.8132.1176.4-1790000108.7I132 Y164 L172 S185 F186I132-V174 HydrophobicContact CD1-CG1 4.01Å; I132-V174 HydrophobicContact CD1-CG2 4.08Å; Y164-V174 HydrophobicContact CD2-CG1 4.19Å; Y164-V174 HydrophobicContact CE1-CG1 3.98Å; Y164-V174 HydrophobicContact CE2-CB 3.66Å; Y164-V174 HydrophobicContact CE2-CG1 3.63Å; Y164-V174 HydrophobicContact CE2-CG2 4.02Å; Y164-V174 VanDerWaalsContact CZ-CG1 3.5Å; Y164-V174 WeakPolarHBondContact OH-CB 3.46Å; L172-V174 HydrophobicContact CD1-CG2 4.02Å; L172-V174 HydrophobicContact CD2-CG2 3.79Å; L172-V174 HydrophobicContact CG-CG2 3.75Å; V174-S185 WeakPolarHBondContact O-CA 3.12Å; V174-F186 PolarHBondContact N-O 3.42Å; V174-F186 PolarHBondContact O-N 2.94Å
175Q87.4Confident81Confident102 Ų10283.7 Ų83.748%0.47744%0.444SS..EExtended strand (participates in β ladder)trans-112.5124.7179.9-69.2-176.2-10.100109.5K177 L182Q175-K177 VanDerWaalsContact OE1-CE 3.25Å; Q175-L182 HydrophobicContact CB-CD1 3.63Å; Q175-L182 HydrophobicContact CG-CD1 3.76Å
176L85.3Confident81Confident53 Ų5377.2 Ų77.228%0.27741%0.414SS..EExtended strand (participates in β ladder)trans-92.2126.7169.2-175.464.1000108.8F162 L183 T184F162-L176 HydrophobicContact CB-CD2 4.34Å; L176-L183 PolarHBondContact O-N 3.41Å; L176-T184 PolarHBondContact N-O 2.81Å
177K82.6Confident80.9Confident108 Ų10875.3 Ų75.347%0.4740%0.397SS..EExtended strand (participates in β ladder)trans-125.2147.1-177-62.8-176.9-179.9-179.80111.3Q175 N181 L182Q175-K177 VanDerWaalsContact OE1-CE 3.25Å; K177-N181 CarbonylContact C-O 3.47Å; K177-N181 WeakPolarHBondContact CA-O 3.48Å; K177-L182 HydrophobicContact CG-CD1 4.46Å
178L81.6Confident80.9Confident80 Ų8071.2 Ų71.242%0.41937%0.365SS..EExtended strand (participates in β ladder)trans-122.2119.5168.4175.166.2000107.7N180 N181 L183 L351L178-N180 PolarHBondContact O-N 2.87Å; L178-N181 PolarHBondContact N-O 3Å; L178-N181 WeakPolarHBondContact O-CA 3.41Å; L178-N181 VanDerWaalsContact O-CB 3.27Å; L178-N181 WeakPolarHBondContact O-CB 3.47Å; L178-N181 PolarHBondContact O-N 3.05Å; L178-N181 PolarHBondContact O-ND2 3.36Å; L178-L183 HydrophobicContact CB-CD1 3.87Å; L178-L183 HydrophobicContact CB-CD2 4.1Å; L178-L183 HydrophobicContact CB-CG 4.08Å; L178-L351 HydrophobicContact CD2-CD2 3.74Å
179D80.4Confident81.2Confident136 Ų13670.9 Ų70.973%0.72736%0.364SS*.THydrogen-bonded Turntrans47.947.4-178.1-54.5-38000112.8N181D179-N181 PolarHBondContact O-N 3.33Å; D179-N181 VanDerWaalsContact O-N 3.11Å; D179-N181 PolarHBondContact O-ND2 3.43Å
180N78.6Confident81.1Confident139 Ų13971.9 Ų71.974%0.74336%0.362SS*.THydrogen-bonded Turntrans66.8-5.6-174.3-60-45000116.9L178L178-N180 PolarHBondContact O-N 2.87Å
181N80.3Confident80.5Confident111 Ų11175.4 Ų75.459%0.59437%0.367SS*.EExtended strand (participates in β ladder)trans-79128.7173.9-60.8-61.8000110.9K177 L178 D179 L183K177-N181 CarbonylContact C-O 3.47Å; K177-N181 WeakPolarHBondContact CA-O 3.48Å; L178-N181 PolarHBondContact N-O 3Å; L178-N181 WeakPolarHBondContact O-CA 3.41Å; L178-N181 VanDerWaalsContact O-CB 3.27Å; L178-N181 WeakPolarHBondContact O-CB 3.47Å; L178-N181 PolarHBondContact O-N 3.05Å; L178-N181 PolarHBondContact O-ND2 3.36Å; D179-N181 PolarHBondContact O-N 3.33Å; D179-N181 VanDerWaalsContact O-N 3.11Å; D179-N181 PolarHBondContact O-ND2 3.43Å; N181-L183 PolarHBondContact O-N 3.48Å
182L82.6Confident79.4Confident87 Ų8776.8 Ų76.846%0.45537%0.373SS..EExtended strand (participates in β ladder)trans-71.4118177.9179.766.4000111Q175 K177Q175-L182 HydrophobicContact CB-CD1 3.63Å; Q175-L182 HydrophobicContact CG-CD1 3.76Å; K177-L182 HydrophobicContact CG-CD1 4.46Å
183L82.6Confident77.7Confident27 Ų2782.2 Ų82.214%0.14140%0.395CS..EExtended strand (participates in β ladder)trans-86.2-58.7175.7-60.3-171.6000111.3L176 L178 N181 K331 I350 L351L176-L183 PolarHBondContact O-N 3.41Å; L178-L183 HydrophobicContact CB-CD1 3.87Å; L178-L183 HydrophobicContact CB-CD2 4.1Å; L178-L183 HydrophobicContact CB-CG 4.08Å; N181-L183 PolarHBondContact O-N 3.48Å; L183-K331 PolarHBondContact O-NZ 3.44Å; L183-I350 HydrophobicContact CB-CG2 4.01Å; L183-I350 HydrophobicContact CD2-CG2 4.5Å; L183-L351 HydrophobicContact CD1-CD2 4.1Å; L183-L351 HydrophobicContact CD2-CD2 3.48Å; L183-L351 VanDerWaalsContact CD2-CD2 3.48Å; L183-L351 HydrophobicContact CG-CD2 4.45Å
184T81.1Confident75.6Confident9 Ų988.1 Ų88.16%0.05542%0.417CS..EExtended strand (participates in β ladder)trans-145.6150.4-177.155.10000111L176 F186 I350L176-T184 PolarHBondContact N-O 2.81Å; T184-F186 HydrophobicContact CG2-CE2 4.47Å; T184-I350 HydrophobicContact CG2-CD1 3.79Å; T184-I350 HydrophobicContact CG2-CG2 4.39Å
185S85.4Confident73.3Confident12 Ų1295.4 Ų95.48%0.08445%0.45CS..EExtended strand (participates in β ladder)trans-134.1126.7175.8-177.50000110.7V174 T443 S444V174-S185 WeakPolarHBondContact O-CA 3.12Å; S185-T443 CarbonylContact O-C 3.56Å; S185-T443 VanDerWaalsContact O-CA 3.29Å; S185-T443 WeakPolarHBondContact O-CA 3.37Å; S185-T443 PolarHBondContact O-OG1 3.34Å; S185-T443 VanDerWaalsContact O-OG1 3.09Å; S185-S444 PolarHBondContact N-OG 3.28Å; S185-S444 VanDerWaalsContact N-OG 3.1Å; S185-S444 PolarHBondContact O-N 2.93Å
186F84.6Confident70.8Confident24 Ų2497.1 Ų97.111%0.10546%0.462CS..EExtended strand (participates in β ladder)trans-121.3131.9178.4-60.7-79.7000109.8Y164 C173 V174 T184 H381 V411 S444Y164-F186 VanDerWaalsContact OH-CD2 3.31Å; Y164-F186 WeakPolarHBondContact OH-CD2 3.49Å; C173-F186 WeakPolarHBondContact CA-O 3.39Å; V174-F186 PolarHBondContact N-O 3.42Å; V174-F186 PolarHBondContact O-N 2.94Å; T184-F186 HydrophobicContact CG2-CE2 4.47Å; F186-H381 HydrophobicContact CD1-CB 4.19Å; F186-H381 HydrophobicContact CE1-CB 3.47Å; F186-H381 VanDerWaalsContact CE1-CB 3.47Å; F186-H381 HydrophobicContact CZ-CB 3.75Å; F186-V411 HydrophobicContact CB-CG2 4.06Å; F186-V411 HydrophobicContact CD1-CG1 4Å; F186-V411 HydrophobicContact CD1-CG2 4.4Å; F186-S444 WeakPolarHBondContact CD1-O 3.2Å; F186-S444 WeakPolarHBondContact CE1-O 3.05Å
187C81.3Confident68.4Low19 Ų19101.5 Ų101.513%0.12849%0.485CS..EExtended strand (participates in β ladder)trans-127130-174.9-670000110.6L172 C173 V411 S442L172-C187 CarbonylContact O-C 3.56Å; L172-C187 VanDerWaalsContact O-CA 3.3Å; L172-C187 WeakPolarHBondContact O-CA 3.24Å; C173-C187 HydrophobicContact CB-CB 4.15Å; C173-C187 WeakPolarHBondContact CB-SG 3.37Å; C173-C187 WeakPolarHBondContact SG-CB 3.46Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 3.25Å; C187-V411 WeakPolarHBondContact O-CG2 3.46Å; C187-S442 PolarHBondContact SG-O 2.75Å; C187-S442 VanDerWaalsContact SG-O 3.33Å
188D78.5Confident65.9Low40 Ų40104.7 Ų104.721%0.21450%0.5CS..EExtended strand (participates in β ladder)trans-120145.4172-163.4-20.2000109L168 L172 F409L168-D188 HydrophobicContact CD2-CB 3.98Å; L168-D188 WeakPolarHBondContact CD2-O 3.47Å; L172-D188 PolarHBondContact N-O 3.48Å; L172-D188 PolarHBondContact O-N 3.41Å; D188-F409 VanDerWaalsContact OD1-O 3.05Å
189N78.1Confident63.7Low31 Ų31107 Ų10717%0.16652%0.52CS..EExtended strand (participates in β ladder)trans-139.9102.8179.5-174.529.2000110.1S408 F409N189-S408 PolarHBondContact ND2-OG 2.76Å; N189-S408 WeakPolarHBondContact O-CB 3.42Å; N189-F409 HydrophobicContact CB-CB 4.18Å; N189-F409 PolarHBondContact N-O 3.11Å; N189-F409 VanDerWaalsContact N-O 3.07Å
190R67.1Low61.1Low154 Ų154105.8 Ų105.858%0.58152%0.517SS*.  trans-99.5103.8175.6-65.1-155.4178.6-157.42.9109.8D170 K192D170-R190 PolarHBondContact O-N 3.36Å; R190-K192 PolarHBondContact O-N 2.77Å
191R62.7Low58.5Low178 Ų178103.8 Ų103.867%0.67251%0.514SS*.PPolyproline II helixtrans-67.7126.3166.5-62-164.5-140.3-170.39.3108.3K193R191-K193 PolarHBondContact O-N 3.05Å; R191-K193 VanDerWaalsContact O-N 3.16Å
192K54.4Low56Low176 Ų176109.5 Ų109.577%0.76553%0.529SS*.PPolyproline II helixtrans-58.6119.2165.5-73.8-177.1178.3177.90107.6R190 Q194R190-K192 PolarHBondContact O-N 2.77Å; K192-Q194 PolarHBondContact O-N 3.16Å
193K47.4Very low53.2Low164 Ų164115.9 Ų115.971%0.71355%0.549SS*.PPolyproline II helixtrans-61.4126.6160.9-79-172.8176.3-177.50106.2R191 Q195 D407R191-K193 PolarHBondContact O-N 3.05Å; R191-K193 VanDerWaalsContact O-N 3.16Å; K193-Q195 PolarHBondContact O-N 3.1Å; K193-D407 WeakPolarHBondContact CE-OD2 3.48Å; K193-D407 IonicContact NZ-OD2 3.65Å
194Q38.6Very low50.3Low183 Ų183120.8 Ų120.886%0.85558%0.584SS**PPolyproline II helixtrans-54.3116.6171-170166-1.900106.7K192 D196K192-Q194 PolarHBondContact O-N 3.16Å; Q194-D196 PolarHBondContact O-N 3.01Å
195Q38Very low47.6Very low171 Ų171126.4 Ų126.480%0.79962%0.618SS**  trans-75.891.7-174.9-172.4147.2-4.700108K193 N197K193-Q195 PolarHBondContact O-N 3.1Å; Q195-N197 PolarHBondContact O-N 2.98Å
196D34.6Very low44.8Very low138 Ų138133 Ų13374%0.73866%0.658SS**  trans-65.7119.3156.2-83.1-23.8000107.2Q194 F198Q194-D196 PolarHBondContact O-N 3.01Å; D196-F198 PolarHBondContact O-N 3.49Å
197N35.3Very low42.1Very low144 Ų144135.6 Ų135.677%0.7769%0.692SS**  trans-55.795.5178.2-103.2-10.1000110.8Q195Q195-N197 PolarHBondContact O-N 2.98Å
198F30.1Very low39.6Very low176 Ų176144.1 Ų144.177%0.77272%0.721SS**  trans-143.2135.6154.4-81.1-77.4000110.4D196 T200D196-F198 PolarHBondContact O-N 3.49Å; F198-T200 PolarHBondContact O-N 3.49Å
199P35.3Very low37.1Very low128 Ų128154.4 Ų154.483%0.83176%0.757SS**  trans-77.1114.9173.131.8-27.8000107.1
200T26.7Very low34.5Very low110 Ų110158.7 Ų158.768%0.67578%0.784SS**  trans-126.5106.4176.2-23.10000110.3F198F198-T200 PolarHBondContact O-N 3.49Å
201S24.1Very low32.6Very low97 Ų97157.1 Ų157.168%0.67880%0.797SS**  trans-12.3122.2159.46.10000116.3Y203S201-Y203 PolarHBondContact O-N 2.79Å
202Y27.2Very low30.8Very low232 Ų232156.8 Ų156.891%0.9181%0.808SS**  trans-81.6108.8166.9-62.9-84.4000109.8
203Y23.1Very low29.4Very low221 Ų221156 Ų15687%0.86781%0.811SS**  trans-84117.5159-80.8-85.6000108.7S201S201-Y203 PolarHBondContact O-N 2.79Å
204C22.5Very low28.4Very low130 Ų130157 Ų15788%0.87882%0.818SS**  trans-89.2111.4176.5-151.80000108.7
205T23.8Very low27.8Very low127 Ų127155 Ų15578%0.77981%0.811SS**  trans-93.8126.616348.70000109
206T26.9Very low27.3Very low149 Ų149151.4 Ų151.491%0.91481%0.81SS**SBendtrans-47.5129.8178.832.40000112.9
207G29.3Very low26.9Very low80 Ų80151.4 Ų151.483%0.82581%0.81SS**  trans140.9-0.9164.200000118
208R26.9Very low26.7Very low197 Ų197152.5 Ų152.574%0.74381%0.81SS**  trans-103.3112.8173.9-70.9-173.8-176-161.3-3.7110.9T210R208-T210 HydrophobicContact CB-CG2 4.31Å; R208-T210 PolarHBondContact O-N 2.9Å
209R26.3Very low26.6Very low257 Ų257155.6 Ų155.697%0.9782%0.817SS**  trans-65.189.8152.6-85.3-179.2175.4168.6-1.4106.9S211R209-S211 PolarHBondContact O-N 2.82Å
210T24.2Very low26.3Very low120 Ų120157.2 Ų157.274%0.73682%0.817SS**  trans-72115.7164.939.30000107.7R208 L212R208-T210 HydrophobicContact CB-CG2 4.31Å; R208-T210 PolarHBondContact O-N 2.9Å; T210-L212 PolarHBondContact O-N 2.88Å; T210-L212 VanDerWaalsContact O-N 3.14Å
211S27.4Very low26.5Very low122 Ų122157 Ų15785%0.85382%0.821SS**  trans-60.4116164.3-55.80000108R209 L213R209-S211 PolarHBondContact O-N 2.82Å; S211-L213 PolarHBondContact O-N 2.86Å
212L24.8Very low27.1Very low170 Ų170158.4 Ų158.489%0.8983%0.829SS**  trans0.2105.8169.5-73.6150.6000115.5T210 Q214T210-L212 PolarHBondContact O-N 2.88Å; T210-L212 VanDerWaalsContact O-N 3.14Å; L212-Q214 PolarHBondContact O-N 2.9Å
213L24.9Very low27.7Very low159 Ų159151.9 Ų151.983%0.83282%0.817SS**  trans-59.9114.3158.6-156.282.9000107S211 M215S211-L213 PolarHBondContact O-N 2.86Å; L213-M215 VanDerWaalsContact C-N 3.34Å; L213-M215 PolarHBondContact O-N 2.96Å
214Q25.3Very low28.6Very low186 Ų186148.6 Ų148.687%0.86982%0.82SS**  trans-64.7102.2165.1-176.4154.4-20.400106.7L212 A216L212-Q214 PolarHBondContact O-N 2.9Å; Q214-A216 PolarHBondContact O-N 2.86Å
215M26.1Very low29.1Very low142 Ų142147 Ų14770%0.782%0.817SS**  trans-55.9114.8164.6-81.6-176.740.400107.5L213 L217L213-M215 VanDerWaalsContact C-N 3.34Å; L213-M215 PolarHBondContact O-N 2.96Å; M215-L217 HydrophobicContact CB-CD1 4.31Å; M215-L217 HydrophobicContact CE-CD1 3.52Å; M215-L217 PolarHBondContact O-N 3.02Å
216A27.6Very low29.7Very low95 Ų95153 Ų15379%0.78583%0.825SS**  trans-59.5105.7160.100000107.4Q214Q214-A216 PolarHBondContact O-N 2.86Å
217L28.1Very low30.2Very low138 Ų138153.8 Ų153.872%0.72382%0.823SS**  trans-99.696.5156.6-105.281.3000107.1M215M215-L217 HydrophobicContact CB-CD1 4.31Å; M215-L217 HydrophobicContact CE-CD1 3.52Å; M215-L217 PolarHBondContact O-N 3.02Å
218Q29.4Very low30.5Very low166 Ų166157.8 Ų157.878%0.77683%0.825SS**  trans-97.4123.8152.9-95.9179.3-18.700107.2
219W28.6Very low30.8Very low241 Ų241156.5 Ų156.591%0.91383%0.832SS**  trans47.692.8157.3-5790.7000117.6
220L28.8Very low31.1Very low162 Ų162152 Ų15285%0.84883%0.826SS**  trans-116.3130.2147.5-85.4158.2000108.5
221S31Very low31.5Very low106 Ų106152.1 Ų152.174%0.74183%0.826SS**  trans-53.6148.1-174.950.20000114.5S223S221-S223 PolarHBondContact O-N 2.9Å; S221-S223 VanDerWaalsContact O-N 3.07Å
222C37.1Very low31.7Very low127 Ų127151.6 Ų151.686%0.85882%0.821SS**SBendtrans-54.2104166-173.50000111.4
223S39.5Very low32Very low95 Ų95151.6 Ų151.666%0.66482%0.82SS**SBendtrans159.6133.4146.3-80.10000108S221S221-S223 PolarHBondContact O-N 2.9Å; S221-S223 VanDerWaalsContact O-N 3.07Å
224T41.1Very low32.3Very low151 Ų151149.6 Ų149.693%0.92681%0.814SS**SBendtrans8654-179.476.20000116.6
225A34.1Very low32.8Very low98 Ų98146.2 Ų146.281%0.8181%0.809SS**  trans-142.548.8157.500000111
226W35.7Very low32.9Very low252 Ų252145.9 Ų145.996%0.95581%0.814SS**SBendtrans-106.88.6168.8-99.857.4000112.4
227L39Very low33.2Very low165 Ų165147.8 Ų147.886%0.86481%0.811SS**SBendtrans-14073.4-173.5-142.187000109.6
228L34.1Very low33.5Very low165 Ų165149.8 Ų149.886%0.86482%0.819SS**  trans-178.634.2152.8-95.5163.9000110.5
229L32.9Very low33.7Very low169 Ų169149.4 Ų149.489%0.88582%0.818SS**  trans-102.156.9169.1-161.3108.2000108.7
230L34.4Very low33.9Very low164 Ų164142.1 Ų142.186%0.85980%0.803SS**  trans-166.153.2178.6-111.2167000112.1
231V32.1Very low34.3Very low121 Ų121140.9 Ų140.973%0.73381%0.807SS**SBendtrans-144.6105.4157.3-174.10000109.4
232C31Very low35Very low111 Ų111142 Ų14275%0.7581%0.809SS**  trans53.981.5157.5-61.30000118.8
233I31.8Very low35.1Very low170 Ų170139.2 Ų139.287%0.87280%0.802SS**  trans-102.492.1140.4-54.5176.4000105.9
234V31.1Very low35.1Very low117 Ų117138.3 Ų138.371%0.70981%0.807SS**  trans-79.6128.4158.6-100.10000106.8V236V234-V236 PolarHBondContact O-N 2.88Å; V234-V236 VanDerWaalsContact O-N 3.15Å
235P35Very low35.2Very low116 Ų116138.9 Ų138.975%0.75380%0.803SS**  trans-64.6116.4171.326.9-30.8000107.9D237P235-D237 PolarHBondContact O-N 2.92Å
236V29Very low35.6Very low134 Ų134139.7 Ų139.781%0.81280%0.8SS**  trans-74.794.3159.4178.20000105.1V234 M238V234-V236 PolarHBondContact O-N 2.88Å; V234-V236 VanDerWaalsContact O-N 3.15Å; V236-M238 PolarHBondContact O-N 2.81Å; V236-M238 VanDerWaalsContact O-N 3.07Å
237D33.5Very low35.8Very low135 Ų135131 Ų13172%0.72279%0.789SS**  trans-63.1104.7166.9-154.1-3000106.6P235 Q239P235-D237 PolarHBondContact O-N 2.92Å; D237-Q239 PolarHBondContact O-N 2.99Å
238M34.8Very low36Very low180 Ų180130.9 Ų130.989%0.88779%0.787SS**  trans-77.679.4173.9-168157.8174.700106.7V236 S240V236-M238 PolarHBondContact O-N 2.81Å; V236-M238 VanDerWaalsContact O-N 3.07Å; M238-S240 PolarHBondContact O-N 2.72Å
239Q33.2Very low36.4Very low159 Ų159128.5 Ų128.574%0.74378%0.782SS**  trans-63.1110.2176.4-162.3149.77.300108.1D237 C241D237-Q239 PolarHBondContact O-N 2.99Å; Q239-C241 PolarHBondContact O-N 2.8Å; Q239-C241 VanDerWaalsContact O-N 3.12Å
240S33.2Very low36.8Very low88 Ų88123.7 Ų123.762%0.61577%0.773SS**  trans-50.7115.2166.6-174.90000108.4M238 T242M238-S240 PolarHBondContact O-N 2.72Å; S240-T242 PolarHBondContact O-N 3.04Å
241C37.4Very low37.2Very low136 Ų136123.8 Ų123.892%0.91977%0.773SS**  trans-6583.6170.2-64.30000108.8Q239Q239-C241 PolarHBondContact O-N 2.8Å; Q239-C241 VanDerWaalsContact O-N 3.12Å
242T44.3Very low37.7Very low129 Ų129123.4 Ų123.479%0.79177%0.773SS**  trans-96.299.9166.544.10000106.9S240S240-T242 PolarHBondContact O-N 3.04Å
243G40.1Very low38.3Very low69 Ų69121.4 Ų121.471%0.71177%0.771SS**  trans15864.8175.100000114.5I245G243-I245 PolarHBondContact O-N 3.19Å
244G38.7Very low38.7Very low75 Ų75120 Ų12077%0.77377%0.771SS**PPolyproline II helixtrans-68125.2155.500000108.3
245I43.6Very low39.3Very low164 Ų164122.1 Ų122.184%0.84177%0.773SS**PPolyproline II helixtrans-63.1129.1173.2-48.7170.7000106.8G243 G247G243-I245 PolarHBondContact O-N 3.19Å; I245-G247 PolarHBondContact O-N 3.07Å
246P43.4Very low39.7Very low114 Ų114118.7 Ų118.774%0.7476%0.758SS**PPolyproline II helixtrans-53.9135.5177-23.632.2000110.5I248P246-I248 PolarHBondContact O-N 2.67Å
247G40.5Very low40.2Very low70 Ų70118.3 Ų118.372%0.72276%0.758SS**PPolyproline II helixtrans-54.1140.5171.200000110.1I245I245-G247 PolarHBondContact O-N 3.07Å
248I42Very low40.9Very low162 Ų162119 Ų11983%0.83176%0.762SS**PPolyproline II helixtrans-53.3127.9178.6-54.6170.6000107.8P246 G250P246-I248 PolarHBondContact O-N 2.67Å; I248-G250 PolarHBondContact O-N 3.38Å
249P43.6Very low41.5Very low115 Ų115113.9 Ų113.975%0.74776%0.755SS**PPolyproline II helixtrans-51.4133.2177.3-26.233.8000110.4I251P249-I251 PolarHBondContact O-N 2.82Å
250G41.2Very low41.7Very low69 Ų69115.6 Ų115.671%0.71176%0.763SS**PPolyproline II helixtrans-53.7137.5175.100000110.4I248I248-G250 PolarHBondContact O-N 3.38Å
251I41.1Very low42.6Very low165 Ų165119 Ų11985%0.84678%0.775SS**PPolyproline II helixtrans-54.7124.8179.7-50.7171.4000107.6P249 G253P249-I251 PolarHBondContact O-N 2.82Å; I251-G253 PolarHBondContact O-N 3.05Å
252P44.3Very low42.9Very low114 Ų114116.1 Ų116.174%0.7477%0.768SS**PPolyproline II helixtrans-52.8132.9177.5-25.533.6000110.1T254P252-T254 PolarHBondContact O-N 2.94Å
253G42.7Very low42.9Very low69 Ų69117.1 Ų117.171%0.71177%0.773SS**PPolyproline II helixtrans-54.1136.2176.200000110.5I251 H255I251-G253 PolarHBondContact O-N 3.05Å; G253-H255 PolarHBondContact O-N 3.22Å
254T39.9Very low43.4Very low140 Ų140123.4 Ų123.486%0.85978%0.781SS**PPolyproline II helixtrans-59.9135.1176.250.30000109.7P252 G256P252-T254 PolarHBondContact O-N 2.94Å; T254-G256 PolarHBondContact O-N 3.29Å
255H43.4Very low43.9Very low162 Ų162123.1 Ų123.175%0.7578%0.779SS**PPolyproline II helixtrans-53.6138.2175.3-115.267.4000110.5G253G253-H255 PolarHBondContact O-N 3.22Å
256G43.6Very low43.9Very low44 Ų44124.7 Ų124.745%0.45478%0.782SS.*PPolyproline II helixtrans-59.1149.1170.400000110.5T254 N258T254-G256 PolarHBondContact O-N 3.29Å; G256-N258 PolarHBondContact O-N 2.94Å
257P40.6Very low44.2Very low125 Ų125128.8 Ų128.881%0.81279%0.788SS**PPolyproline II helixtrans-58.8138.5177.325.8-33.1000109.9G259P257-G259 PolarHBondContact O-N 3.38Å
258N47.4Very low44.4Very low151 Ų151128.8 Ų128.881%0.80779%0.788SS**PPolyproline II helixtrans-53.9137.5173.3-75.9-9.4000109.8G256 Q260G256-N258 PolarHBondContact O-N 2.94Å; N258-Q260 PolarHBondContact O-N 2.73Å
259G46.8Very low44.5Very low71 Ų71129.1 Ų129.173%0.73279%0.792SS**PPolyproline II helixtrans-54.2138.2173.200000110.7P257P257-G259 PolarHBondContact O-N 3.38Å
260Q38.6Very low44.4Very low195 Ų195132 Ų13291%0.91180%0.8SS**PPolyproline II helixtrans-68.4132.9179.2-69.2179.2-7.100110.1N258 G262N258-Q260 PolarHBondContact O-N 2.73Å; Q260-G262 PolarHBondContact O-N 3.47Å
261D50.8Low44.5Very low160 Ų160132.4 Ų132.486%0.85680%0.804SS**PPolyproline II helixtrans-57.7130.7174.1-70-30.8000110.3V263D261-V263 PolarHBondContact O-N 2.99Å
262G45.1Very low44.3Very low75 Ų75134.4 Ų134.477%0.77381%0.81SS**PPolyproline II helixtrans-61.6132.9178.500000112Q260 K264Q260-G262 PolarHBondContact O-N 3.47Å; G262-K264 PolarHBondContact O-N 3.37Å
263V43.9Very low43.9Very low151 Ų151132.7 Ų132.792%0.91581%0.814SS**PPolyproline II helixtrans-57.5124.8177.7-110.50000111.2D261 G265D261-V263 PolarHBondContact O-N 2.99Å; V263-G265 PolarHBondContact O-N 2.88Å
264K51.1Low43.5Very low200 Ų200133.4 Ų133.487%0.8782%0.821SS**PPolyproline II helixtrans-65.2120.2175.2-176178.8-179.8179.80109.4G262 E266G262-K264 PolarHBondContact O-N 3.37Å; K264-E266 PolarHBondContact O-N 3.36Å
265G48Very low43.5Very low70 Ų70135.1 Ų135.172%0.72282%0.819SS**PPolyproline II helixtrans-60.6134-17900000113.1V263V263-G265 PolarHBondContact O-N 2.88Å
266E44.6Very low43.6Very low197 Ų197133 Ų13392%0.92182%0.82SS**PPolyproline II helixtrans-68.9141.6175.3-66.6-174.9146.700111.1K264K264-E266 PolarHBondContact O-N 3.36Å
267K50.2Low43.6Very low200 Ų200138.1 Ų138.187%0.8784%0.835SS**PPolyproline II helixtrans-81.6119.7177.7-175.1-178.4-177.5-174.80108.3
268G44.6Very low43.6Very low70 Ų70144 Ų14472%0.72284%0.841SS**PPolyproline II helixtrans-62.8141.5-17900000113.6
269D42.7Very low43.3Very low168 Ų168140 Ų14090%0.89884%0.836SS**PPolyproline II helixtrans-72.3141.7177.8-66.4-44.5000111.9
270L43Very low43.1Very low176 Ų176146.7 Ų146.792%0.92185%0.848SS**PPolyproline II helixtrans-90.4127.2-178.6-149.982.4000109.8
271G41.4Very low43.5Very low78 Ų78147.2 Ų147.280%0.80485%0.847SS**PPolyproline II helixtrans-68156.4-17500000115.8
272E37.9Very low43.5Very low206 Ų206142.8 Ų142.896%0.96384%0.84SS**PPolyproline II helixtrans-89142.4-172.6-165.4175.9-163.700112.8
273G35.7Very low43.7Very low79 Ų79146.6 Ų146.681%0.81485%0.847SS**  trans159.1108.7161.400000116.9
274G33.8Very low44.1Very low84 Ų84143.3 Ų143.387%0.86684%0.836SS**  trans110.298.8143.400000119.2
275Q40.6Very low44.3Very low176 Ų176136.9 Ų136.982%0.82283%0.827SS**  trans-82.7155.6159.8-100.7-179.91.900110.5
276P45.2Very low44.6Very low117 Ų117142.7 Ų142.776%0.7684%0.838SS**  -149.7137.971.134.3-11.5000119.2
277I43.3Very low45.3Very low151 Ų151140.9 Ų140.977%0.77482%0.822SS**  trans39.9115.3134.9-42.5176.2000120.9
278R40.5Very low45.8Very low249 Ų249133.5 Ų133.594%0.9480%0.803SS**  trans-157.6118.5141.8-164.6169-178.8172.40.6113.9
279G41.9Very low46.8Very low68 Ų68135.8 Ų135.870%0.70181%0.806SS**  trans67.4107.2148.400000120.2K281G279-K281 PolarHBondContact O-N 2.71Å
280Q42.7Very low48Very low210 Ų210133.2 Ų133.298%0.98180%0.798SS**  trans-62114.4170.4-77.1178.60.900111.7
281K46Very low49Very low206 Ų206126.8 Ų126.890%0.89677%0.774SS**PPolyproline II helixtrans-97.4141.3167.1-167.6174.4-178.5179.20109.2G279G279-K281 PolarHBondContact O-N 2.71Å
282G51.5Low50.2Low68 Ų68134.2 Ų134.270%0.70178%0.778SS**PPolyproline II helixtrans-50.8153.7-165.500000116.8A284G282-A284 PolarHBondContact O-N 3.04Å
283V48.5Very low51.7Low154 Ų154129.2 Ų129.293%0.93376%0.764SS**PPolyproline II helixtrans-54.7116.8-171.9-151.90000110.7
284A52.3Low53.2Low83 Ų83127.3 Ų127.369%0.68674%0.743SS**PPolyproline II helixtrans-65.6142.1175.700000110.4G282G282-A284 PolarHBondContact O-N 3.04Å
285G56.2Low54.7Low65 Ų65132 Ų13267%0.6775%0.745SS**PPolyproline II helixtrans-55148178.100000112.6W287G285-W287 PolarHBondContact O-N 3.31Å
286M54.9Low56.3Low192 Ų192130 Ų13095%0.94673%0.734SS**PPolyproline II helixtrans-54.2131.2-178.8-74.9174.457.300111.2
287W59Low57.4Low158 Ų158126.2 Ų126.260%0.59872%0.716SS**PPolyproline II helixtrans-64.2139177.3-76.437.8000110.2P77 K80 G285P77-W287 HydrophobicContact CG-CZ2 4.28Å; K80-W287 HydrophobicContact CD-CZ3 4.2Å; K80-W287 HydrophobicContact CG-CZ3 4.12Å; G285-W287 PolarHBondContact O-N 3.31Å
288G61Low58.7Low46 Ų46126.4 Ų126.447%0.47472%0.718SS.*PPolyproline II helixtrans-60.5149.917100000111.2
289P64.3Low60.1Low118 Ų118121 Ų12177%0.76671%0.705SS**PPolyproline II helixtrans-58.7143.7179.623.8-32.7000111
290P68.3Low61.4Low113 Ų113119.2 Ų119.273%0.73469%0.688SS**PPolyproline II helixtrans-55142.8177.4-2432.8000112.1
291G65Low62.6Low42 Ų42116.9 Ų116.943%0.43368%0.681SS.*PPolyproline II helixtrans-60.3147.3172.900000111.4
292R65.6Low63.9Low234 Ų234111 Ų11188%0.88366%0.664SS**PPolyproline II helixtrans-59.1145.3177.2-67.4-175.1-173.2-131.51.6110.6
293P69.4Low64.9Low101 Ų101109.3 Ų109.366%0.65665%0.646SS**PPolyproline II helixtrans-54143.4173.5-24.433.7000111.7
294G67.1Low65.8Low38 Ų38107.8 Ų107.839%0.39264%0.639SS.*PPolyproline II helixtrans-63.4148.4174.200000111.5P83 G85P83-G294 PolarHBondContact O-N 2.64Å; G85-G294 WeakPolarHBondContact CA-O 3.26Å
295M65.4Low66.7Low182 Ų182107.4 Ų107.490%0.89764%0.636SS**PPolyproline II helixtrans-62.2143.8173.4-61.5-178.576.300109.8
296K73.7Confident67.2Low135 Ų135105.9 Ų105.959%0.58762%0.621SS**PPolyproline II helixtrans-59.9137.9175.1-175.4170.7-178.7162.50109.3
297G69.7Low67.8Low37 Ų37107.1 Ų107.138%0.38162%0.616SS.*PPolyproline II helixtrans-64.1152.7177.200000112.1E86 G88E86-G297 PolarHBondContact O-N 3.34Å; E86-G297 VanDerWaalsContact O-N 3.1Å; G88-G297 WeakPolarHBondContact CA-O 3.33Å
298D70.5Confident68.4Low155 Ų155103.9 Ų103.983%0.82962%0.615SS**PPolyproline II helixtrans-62149.8176.3-62.2-39.7000111.3G88G88-D298 WeakPolarHBondContact CA-O 3.43Å
299M68.4Low68.7Low135 Ų135103.5 Ų103.567%0.66561%0.611SS**PPolyproline II helixtrans-59.3139.5174.9-176.4172.361.200110.4
300G69.6Low68.8Low32 Ų32106.9 Ų106.933%0.3362%0.617SS.*PPolyproline II helixtrans-57.5152.217600000112.2G89 G91G89-G300 PolarHBondContact O-N 2.68Å; G91-G300 WeakPolarHBondContact CA-O 3.41Å
301L68.6Low68.9Low161 Ų161106.7 Ų106.784%0.84361%0.605SS**PPolyproline II helixtrans-59.8145.1175.8-65.6172.6000110.5
302P73.4Confident68.5Low83 Ų83106.4 Ų106.454%0.53960%0.602SS.*PPolyproline II helixtrans-52.9143.9172.5-25.534.2000111.8S92S92-P302 WeakPolarHBondContact O-CA 3.35Å
303G72.1Confident68.1Low31 Ų31103.9 Ų103.932%0.3260%0.6SS.*PPolyproline II helixtrans-59.2152.3175.200000112S92 G94S92-G303 PolarHBondContact O-N 2.98Å; G94-G303 VanDerWaalsContact CA-O 3.23Å; G94-G303 WeakPolarHBondContact CA-O 3.49Å
304P67.4Low67.4Low122 Ų122105 Ų10579%0.79260%0.595SS**PPolyproline II helixtrans-59.2150174.826.5-33.9000110.8
305A70.5Confident66.5Low75 Ų75104.9 Ų104.962%0.6259%0.594SS**PPolyproline II helixtrans-57.5142.3175.600000110.9
306G67.6Low65.5Low34 Ų34107 Ų10735%0.35159%0.591SS.*PPolyproline II helixtrans-60.5146.9176.300000111.5I95 G97I95-G306 PolarHBondContact O-N 3.1Å; G97-G306 VanDerWaalsContact CA-O 3.27Å; G97-G306 WeakPolarHBondContact CA-O 3.45Å
307Y67.1Low64.3Low218 Ų218105.4 Ų105.486%0.85560%0.595SS**PPolyproline II helixtrans-60.6147.7173.8-66.3-76.9000110.8
308P72Confident63.2Low89 Ų89111.3 Ų111.358%0.57861%0.61SS**PPolyproline II helixtrans-52.1143.5171.4-24.933.9000111.5P98P98-P308 HydrophobicContact CG-CB 4.47Å
309G67Low61.8Low38 Ų38108.2 Ų108.239%0.39259%0.594SS.*PPolyproline II helixtrans-56147.3174.300000111.5P98 G100 K311P98-G309 PolarHBondContact O-N 3.46Å; G100-G309 VanDerWaalsContact CA-O 3.32Å; G100-G309 WeakPolarHBondContact CA-O 3.32Å; G309-K311 PolarHBondContact O-N 3.38Å
310Q66.4Low60.9Low190 Ų190107.3 Ų107.389%0.88859%0.591SS**PPolyproline II helixtrans-59.4137.1174.8-67.4-172.510.800109.8G312Q310-G312 PolarHBondContact O-N 2.77Å
311K69.7Low60Low108 Ų108110.3 Ų110.347%0.4761%0.607SS.*PPolyproline II helixtrans-54.7134.7172.9-176.3172.6176.7174.70108.8E104 G309E104-K311 IonicContact OE1-NZ 2.78Å; E104-K311 PolarHBondContact OE1-NZ 2.67Å; G309-K311 PolarHBondContact O-N 3.38Å
312G58.1Low59.1Low37 Ų37109.2 Ų109.238%0.38160%0.602SS.*PPolyproline II helixtrans-56.3146.4177.200000111.5G103 Q310 K314G103-G312 WeakPolarHBondContact CA-O 3.33Å; Q310-G312 PolarHBondContact O-N 2.77Å; G312-K314 PolarHBondContact O-N 2.73Å
313E55.8Low58.4Low181 Ų181114.9 Ų114.985%0.84662%0.618SS**PPolyproline II helixtrans-54.9138.2174.9-68.6-170162.400110.4G315E313-G315 PolarHBondContact O-N 2.87Å
314K54.8Low57.9Low125 Ų125118.8 Ų118.854%0.54363%0.628SS.*PPolyproline II helixtrans-59132.4174.9-173.6168-173.51470109.4E104 G312 R316E104-K314 HydrophobicContact CB-CG 4.44Å; E104-K314 IonicContact OE2-NZ 3.78Å; E104-K314 PolarHBondContact OE2-NZ 3.48Å; G312-K314 PolarHBondContact O-N 2.73Å; K314-R316 PolarHBondContact O-N 2.97Å
315G48.5Very low57.9Low35 Ų35119.1 Ų119.136%0.36162%0.617SS.*PPolyproline II helixtrans-53.5130.6174.600000110.5E104 E313E104-G315 PolarHBondContact O-N 2.85Å; E313-G315 PolarHBondContact O-N 2.87Å
316R45.4Very low58.6Low225 Ų225115.6 Ų115.685%0.84959%0.588SS**PPolyproline II helixtrans-60.4135.9-178.1-66.7-176-173.9-168.92109.9K314K314-R316 PolarHBondContact O-N 2.97Å
317P48.7Very low59.6Low102 Ų102115.6 Ų115.666%0.66258%0.579SS**PPolyproline II helixtrans-58.9145173.322.7-30.7000110.5N319P317-N319 PolarHBondContact O-N 2.94Å
318F46.2Very low60.8Low161 Ų161105.3 Ų105.371%0.70654%0.538SS*.  trans-55.6103.4175.6-175.5-96.1000109.7
319N41.2Very low61.6Low90 Ų90103 Ų10348%0.48152%0.524SS..  trans-88.8115.2178.7-169.7-22.6000108.6P317 S321 N322P317-N319 PolarHBondContact O-N 2.94Å; N319-S321 PolarHBondContact O-N 2.85Å; N319-S321 WeakPolarHBondContact OD1-CB 3.21Å; N319-S321 PolarHBondContact OD1-N 2.03Å; N319-S321 PolarHBondContact OD1-OG 3.34Å; N319-N322 PolarHBondContact O-N 2.89Å
320L48.9Very low62.8Low116 Ų116101.4 Ų101.461%0.60751%0.507SS*.THydrogen-bonded Turntrans-56.5-17.7175.3-93.7103.2000113.2
321S50Low64Low96 Ų9694.2 Ų94.267%0.67147%0.472SS*.THydrogen-bonded Turntrans-89-3.7-177.6-48.40000114.6N319 K323N319-S321 PolarHBondContact O-N 2.85Å; N319-S321 WeakPolarHBondContact OD1-CB 3.21Å; N319-S321 PolarHBondContact OD1-N 2.03Å; N319-S321 PolarHBondContact OD1-OG 3.34Å; S321-K323 PolarHBondContact O-N 2.82Å; S321-K323 VanDerWaalsContact O-N 3.17Å
322N50.1Low65Low137 Ų13790 Ų9073%0.73345%0.454SS*.SBendtrans-83.594.9172.8-94.25.1000110.3N319 Q324N319-N322 PolarHBondContact O-N 2.89Å; N322-Q324 PolarHBondContact O-N 3.34Å
323K59.2Low66.4Low202 Ų20289.2 Ų89.288%0.87844%0.444SS*.  trans-36.4104.1173.8-75.8179172.3-179.50113.7S321S321-K323 PolarHBondContact O-N 2.82Å; S321-K323 VanDerWaalsContact O-N 3.17Å
324Q61.3Low67.8Low113 Ų11383.2 Ų83.253%0.52842%0.417SS..  trans-166.679.7138.8-121.6164.70.800110.8N322 I372N322-Q324 PolarHBondContact O-N 3.34Å; Q324-I372 HydrophobicContact CB-CD1 4.28Å; Q324-I372 HydrophobicContact CG-CB 4.3Å; Q324-I372 HydrophobicContact CG-CD1 3.31Å; Q324-I372 HydrophobicContact CG-CG1 3.55Å; Q324-I372 HydrophobicContact CG-CG2 3.78Å
325K67.4Low69.2Low130 Ų13081 Ų8157%0.56542%0.417SS*.  trans-130.493.1166.4-66.7-175-175.8178.20107.9F327K325-F327 HydrophobicContact CB-CD1 4.44Å
326S84.6Confident71Confident1 Ų183.2 Ų83.21%0.00742%0.421CS..  trans-83.6112.4173.2-167.50000108.2Y376 F450 L451S326-Y376 WeakPolarHBondContact CB-OH 3.17Å; S326-Y376 PolarHBondContact OG-OH 3.01Å; S326-Y376 VanDerWaalsContact OG-OH 3.08Å; S326-F450 WeakPolarHBondContact O-CA 3.32Å; S326-L451 WeakPolarHBondContact O-CB 3.47Å; S326-L451 PolarHBondContact O-N 2.83Å
327F89.5Confident73Confident34 Ų3477.9 Ų77.915%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-151.2158.517271.4-85.4000110M159 K325 F358 G360 E361 G449 F450M159-F327 HydrophobicContact CE-CD2 4.04Å; M159-F327 HydrophobicContact CE-CE1 4.44Å; M159-F327 HydrophobicContact CE-CE2 3.33Å; M159-F327 HydrophobicContact CE-CZ 3.56Å; M159-F327 HydrophobicContact CG-CD1 4.48Å; M159-F327 HydrophobicContact CG-CE1 3.91Å; M159-F327 HydrophobicContact CG-CE2 4.45Å; M159-F327 HydrophobicContact CG-CZ 3.89Å; M159-F327 HydrophobicContact SD-CE1 4.3Å; M159-F327 HydrophobicContact SD-CE2 4.11Å; M159-F327 HydrophobicContact SD-CZ 3.68Å; K325-F327 HydrophobicContact CB-CD1 4.44Å; F327-F358 WeakPolarHBondContact CZ-O 3.33Å; F327-G360 CarbonylContact O-C 3.54Å; F327-G360 WeakPolarHBondContact O-CA 3.16Å; F327-E361 PolarHBondContact O-N 3.03Å; F327-G449 CarbonylContact C-O 3.52Å; F327-G449 WeakPolarHBondContact CA-O 3.47Å; F327-F450 HydrophobicContact CB-CB 3.65Å
328F91.5Very high75Confident2 Ų273.5 Ų73.51%0.00938%0.384CS..EExtended strand (participates in β ladder)trans-149.1156.6168.566.3-88.3000109.5E361 L363 F368 F378 F447 T448 G449F328-E361 HydrophobicContact CB-CB 4.44Å; F328-E361 VanDerWaalsContact CB-O 3.24Å; F328-E361 WeakPolarHBondContact CB-O 3.43Å; F328-L363 HydrophobicContact CD1-CD2 4.06Å; F328-L363 HydrophobicContact CD2-CD1 3.8Å; F328-L363 HydrophobicContact CD2-CD2 3.65Å; F328-L363 HydrophobicContact CD2-CG 3.89Å; F328-L363 HydrophobicContact CE1-CD2 4.16Å; F328-L363 HydrophobicContact CE2-CD1 3.88Å; F328-L363 HydrophobicContact CE2-CD2 3.77Å; F328-L363 HydrophobicContact CE2-CG 4.26Å; F328-L363 HydrophobicContact CG-CD2 3.8Å; F328-L363 HydrophobicContact CG-CG 4.29Å; F328-L363 HydrophobicContact CZ-CD2 4.02Å; F328-F368 HydrophobicContact CD1-CB 4.31Å; F328-F368 AromaticContact CD1-CD2 3.33Å; F328-F368 HydrophobicContact CD1-CD2 3.33Å; F328-F368 AromaticContact CD1-CE2 3.8Å; F328-F368 HydrophobicContact CD1-CE2 3.8Å; F328-F368 AromaticContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CE1-CB 3.62Å; F328-F368 HydrophobicContact CE1-CD1 4.16Å; F328-F368 AromaticContact CE1-CD2 3.33Å; F328-F368 HydrophobicContact CE1-CD2 3.33Å; F328-F368 AromaticContact CE1-CE2 3.99Å; F328-F368 HydrophobicContact CE1-CE2 3.99Å; F328-F368 AromaticContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CE1-CG 3.42Å; F328-F368 VanDerWaalsContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CG-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CB 3.96Å; F328-F368 HydrophobicContact CZ-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CG 4.24Å; F328-F378 HydrophobicContact CE1-CD1 4.26Å; F328-F378 AromaticContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CZ-CD1 4.03Å; F328-F378 AromaticContact CZ-CE1 4Å; F328-F378 HydrophobicContact CZ-CE1 4Å; F328-F447 HydrophobicContact CE2-CB 4.49Å; F328-F447 AromaticContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD2 4.32Å; F328-F447 AromaticContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE2 4.47Å; F328-F447 AromaticContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CZ 4.18Å; F328-F447 WeakPolarHBondContact CE2-O 3.14Å; F328-F447 AromaticContact CZ-CD1 3.9Å; F328-F447 HydrophobicContact CZ-CD1 3.9Å; F328-F447 AromaticContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE2 4.21Å; F328-F447 HydrophobicContact CZ-CG 4.36Å; F328-F447 AromaticContact CZ-CZ 3.71Å; F328-F447 HydrophobicContact CZ-CZ 3.71Å; F328-T448 WeakPolarHBondContact O-CA 3.36Å; F328-T448 WeakPolarHBondContact O-CG2 3.24Å; F328-G449 PolarHBondContact N-O 2.89Å; F328-G449 PolarHBondContact O-N 3.22Å
329S89.9Confident77.1Confident40 Ų4072.1 Ų72.128%0.2838%0.38SS..EExtended strand (participates in β ladder)trans-151.8100.1173.9-175.20000108.9I350 T448S329-I350 WeakPolarHBondContact O-CG1 3.48Å; S329-I350 PolarHBondContact O-N 2.87Å; S329-I350 WeakPolarHBondContact OG-CD1 3.46Å; S329-T448 PolarHBondContact OG-OG1 3.11Å
330N91.7Very high79.5Confident4 Ų471 Ų712%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-118.1147.8-172.7-71.827.5000110.8F346 R348 L363 S446 F447N330-F346 HydrophobicContact CB-CB 3.77Å; N330-F346 VanDerWaalsContact CB-O 3.32Å; N330-F346 WeakPolarHBondContact CB-O 3.37Å; N330-F346 PolarHBondContact ND2-O 2.73Å; N330-R348 CarbonylContact C-O 3.56Å; N330-R348 WeakPolarHBondContact CA-O 3.49Å; N330-L363 HydrophobicContact CB-CD1 3.81Å; N330-S446 CarbonylContact O-C 3.57Å; N330-S446 VanDerWaalsContact O-CA 3.26Å; N330-S446 WeakPolarHBondContact O-CA 3.38Å; N330-F447 PolarHBondContact N-O 2.86Å; N330-F447 PolarHBondContact O-N 3.06Å
331K90.7Very high81.6Confident39 Ų3969.5 Ų69.517%0.1737%0.369CS..EExtended strand (participates in β ladder)trans-111.5155.9168.963.5-179.7171.8-170.60111.5L183 F346 N347 R348 I350 H445L183-K331 PolarHBondContact O-NZ 3.44Å; K331-F346 CarbonylContact O-C 3.58Å; K331-N347 PolarHBondContact O-N 3.07Å; K331-R348 HydrophobicContact CG-CB 4.2Å; K331-R348 HydrophobicContact CG-CG 4.49Å; K331-R348 WeakPolarHBondContact CG-O 2.85Å; K331-R348 PolarHBondContact N-O 2.95Å; K331-R348 PolarHBondContact O-N 2.86Å; K331-I350 HydrophobicContact CB-CD1 4.35Å; K331-I350 HydrophobicContact CB-CG1 3.94Å; K331-I350 HydrophobicContact CD-CG1 4.31Å; K331-I350 HydrophobicContact CG-CG1 4.04Å; K331-H445 CarbonylContact C-O 3.48Å; K331-H445 WeakPolarHBondContact CA-O 3.47Å; K331-H445 VanDerWaalsContact CB-O 3.27Å; K331-H445 WeakPolarHBondContact CB-O 3.32Å
332R91.4Very high83.6Confident20 Ų2069.1 Ų69.18%0.07536%0.357CS..  trans-84.3117.8171-172.9177.1-157.1-65.81.9109.6I334 N336 N345 F346 H445R332-I334 PolarHBondContact NH1-O 2.71Å; R332-N336 PolarHBondContact NH1-O 3.24Å; R332-N336 PolarHBondContact NH1-OD1 3.39Å; R332-N336 PolarHBondContact NH2-O 2.77Å; R332-N336 PolarHBondContact NH2-OD1 3.12Å; R332-N345 WeakPolarHBondContact CG-O 3.47Å; R332-F346 HydrophobicContact CB-CD1 4.17Å; R332-H445 HydrophobicContact CB-CB 4.04Å; R332-H445 PolarHBondContact N-O 3.27Å; R332-H445 VanDerWaalsContact N-O 3.07Å
333A87Confident85.8Confident21 Ų2164.9 Ų64.917%0.17434%0.337CS..  trans-120.418.517900000112.6N347 R348 Q440A333-N347 PolarHBondContact N-OD1 2.64Å; A333-R348 HydrophobicContact CB-CB 3.72Å; A333-R348 HydrophobicContact CB-CG 4.3Å; A333-Q440 PolarHBondContact O-NE2 2.78Å
334I86.3Confident87.5Confident55 Ų5555.4 Ų55.428%0.28230%0.296SS..  trans-99.6154.6169.8-48.6165.2000107R332 N336 N347R332-I334 PolarHBondContact NH1-O 2.71Å; I334-N336 WeakPolarHBondContact CB-OD1 3.47Å; I334-N336 HydrophobicContact CG2-CB 4.17Å; I334-N336 WeakPolarHBondContact CG2-OD1 3.17Å; I334-N347 HydrophobicContact CD1-CB 3.9Å; I334-N347 HydrophobicContact CG1-CB 4.33Å; I334-N347 VanDerWaalsContact CG1-CG 3.45Å; I334-N347 VanDerWaalsContact CG1-ND2 3.34Å; I334-N347 WeakPolarHBondContact CG1-ND2 3Å; I334-N347 WeakPolarHBondContact CG1-OD1 3.46Å
335S83.8Confident89Confident77 Ų7752.1 Ų52.154%0.53828%0.282SS..  trans-119.227.7176.559.40000112.3V438S335-V438 VanDerWaalsContact CA-CG1 3.41Å; S335-V438 WeakPolarHBondContact CB-O 3.36Å; S335-V438 WeakPolarHBondContact O-CG1 3.34Å
336N86.9Confident90.3Very high83 Ų8346 Ų4644%0.44426%0.255SS..SBendtrans-81.8153.5166.464.1-29.7000110.4R332 I334R332-N336 PolarHBondContact NH1-O 3.24Å; R332-N336 PolarHBondContact NH1-OD1 3.39Å; R332-N336 PolarHBondContact NH2-O 2.77Å; R332-N336 PolarHBondContact NH2-OD1 3.12Å; I334-N336 WeakPolarHBondContact CB-OD1 3.47Å; I334-N336 HydrophobicContact CG2-CB 4.17Å; I334-N336 WeakPolarHBondContact CG2-OD1 3.17Å
337V86.4Confident90.6Very high112 Ų11249.3 Ų49.368%0.67927%0.273SS*.PPolyproline II helixtrans-61.6142.2171.5-177.80000109
338V90Very high90.6Very high10 Ų1053.8 Ų53.86%0.06129%0.289CS..PPolyproline II helixtrans-82.8122.9174.6176.20000108I344 N434 I436V338-I344 HydrophobicContact CG1-CG1 3.93Å; V338-N434 PolarHBondContact O-ND2 3.05Å; V338-I436 HydrophobicContact CB-CD1 4.15Å; V338-I436 HydrophobicContact CG1-CD1 4.19Å; V338-I436 HydrophobicContact CG2-CD1 4.03Å
339E90.8Very high90.4Very high133 Ų13356.4 Ų56.462%0.62131%0.305SS*.PPolyproline II helixtrans-67.5144.5176.1-69.7175.3-164.700111.5M342 S430E339-M342 HydrophobicContact CB-CB 3.88Å; E339-M342 HydrophobicContact CB-CG 3.65Å; E339-M342 PolarHBondContact O-N 3.5Å; E339-S430 PolarHBondContact O-OG 2.74Å
340T92.3Very high90.1Very high66 Ų6655.4 Ų55.441%0.40530%0.297SS..THydrogen-bonded Turntrans-66.4135.8-179.8-59.60000111M342 K432 N434T340-M342 PolarHBondContact O-N 3.06Å; T340-K432 HydrophobicContact CG2-CB 4.29Å; T340-N434 PolarHBondContact OG1-ND2 3.46Å
341N92.8Very high89.4Confident85 Ų8557.5 Ų57.546%0.45531%0.308SS..THydrogen-bonded Turntrans58.426.5-178.5-55-40000113.5S430N341-S430 WeakPolarHBondContact CA-O 3.5Å; N341-S430 PolarHBondContact N-O 2.83Å
342M92.6Very high88.4Confident88 Ų8859.6 Ų59.643%0.43333%0.325SS..SBendtrans-115.9152176.7-66.3-63.2-76.600111.4E339 T340 I344 S430E339-M342 HydrophobicContact CB-CB 3.88Å; E339-M342 HydrophobicContact CB-CG 3.65Å; E339-M342 PolarHBondContact O-N 3.5Å; T340-M342 PolarHBondContact O-N 3.06Å; M342-I344 PolarHBondContact O-N 3.22Å; M342-S430 PolarHBondContact O-N 3.37Å
343P95Very high87.4Confident47 Ų4765 Ų6531%0.30536%0.361SS..BIsolated β-bridgetrans-57.2135.9173.4-23.232.6000112.2N345 Y427 V428P343-N345 PolarHBondContact O-N 3.16Å; P343-Y427 HydrophobicContact CB-CD2 3.77Å; P343-Y427 HydrophobicContact CB-CE2 4.33Å; P343-Y427 HydrophobicContact CB-CG 4.33Å; P343-Y427 HydrophobicContact CG-CD2 3.74Å; P343-Y427 HydrophobicContact CG-CE2 3.8Å; P343-Y427 HydrophobicContact CG-CG 4.43Å; P343-V428 WeakPolarHBondContact CA-O 3.49Å
344I94.8Very high86.5Confident3 Ų366.6 Ų66.62%0.01537%0.366CS..  trans-80.3117.7174.9-56.6-177.2000108.7V338 M342 F346 L390 V428 I436V338-I344 HydrophobicContact CG1-CG1 3.93Å; M342-I344 PolarHBondContact O-N 3.22Å; I344-F346 HydrophobicContact CB-CE2 3.82Å; I344-F346 HydrophobicContact CB-CZ 4.21Å; I344-F346 HydrophobicContact CG2-CD2 4.33Å; I344-F346 HydrophobicContact CG2-CE1 4.36Å; I344-F346 HydrophobicContact CG2-CE2 3.74Å; I344-F346 HydrophobicContact CG2-CZ 3.76Å; I344-F346 WeakPolarHBondContact O-CD2 3.42Å; I344-F346 WeakPolarHBondContact O-CE2 3.34Å; I344-F346 PolarHBondContact O-N 2.61Å; I344-L390 HydrophobicContact CD1-CD2 3.62Å; I344-V428 HydrophobicContact CD1-CG1 4.1Å; I344-V428 PolarHBondContact N-O 3.28Å; I344-I436 HydrophobicContact CD1-CD1 3.74Å
345N94.1Very high85.5Confident45 Ų4569.5 Ų69.524%0.24138%0.378CS..  trans-79.2103.7-179-169.7-1.7000112.5R332 P343 N347 G366R332-N345 WeakPolarHBondContact CG-O 3.47Å; P343-N345 PolarHBondContact O-N 3.16Å; N345-N347 PolarHBondContact O-N 2.9Å; N345-G366 PolarHBondContact OD1-N 3.34Å
346F93.5Very high84.8Confident0 Ų071.3 Ų71.30%039%0.386CS..  trans-9079.4169.8-59-89.3000110.5N330 K331 R332 I344 R348 L363 V382 V428 H445 F447N330-F346 HydrophobicContact CB-CB 3.77Å; N330-F346 VanDerWaalsContact CB-O 3.32Å; N330-F346 WeakPolarHBondContact CB-O 3.37Å; N330-F346 PolarHBondContact ND2-O 2.73Å; K331-F346 CarbonylContact O-C 3.58Å; R332-F346 HydrophobicContact CB-CD1 4.17Å; I344-F346 HydrophobicContact CB-CE2 3.82Å; I344-F346 HydrophobicContact CB-CZ 4.21Å; I344-F346 HydrophobicContact CG2-CD2 4.33Å; I344-F346 HydrophobicContact CG2-CE1 4.36Å; I344-F346 HydrophobicContact CG2-CE2 3.74Å; I344-F346 HydrophobicContact CG2-CZ 3.76Å; I344-F346 WeakPolarHBondContact O-CD2 3.42Å; I344-F346 WeakPolarHBondContact O-CE2 3.34Å; I344-F346 PolarHBondContact O-N 2.61Å; F346-R348 PolarHBondContact O-N 2.86Å; F346-L363 HydrophobicContact CB-CD1 4.05Å; F346-V382 HydrophobicContact CZ-CG2 4.28Å; F346-V428 HydrophobicContact CE2-CB 4.18Å; F346-V428 HydrophobicContact CE2-CG2 4.32Å; F346-H445 HydrophobicContact CE1-CB 3.98Å; F346-F447 HydrophobicContact CB-CB 4.46Å; F346-F447 HydrophobicContact CD1-CB 3.89Å; F346-F447 HydrophobicContact CD2-CB 3.53Å; F346-F447 HydrophobicContact CD2-CD1 4.05Å; F346-F447 HydrophobicContact CD2-CG 4.19Å; F346-F447 HydrophobicContact CE1-CB 3.93Å; F346-F447 HydrophobicContact CE2-CB 3.58Å; F346-F447 HydrophobicContact CE2-CD1 4.28Å; F346-F447 HydrophobicContact CE2-CG 4.16Å; F346-F447 HydrophobicContact CG-CB 3.7Å; F346-F447 HydrophobicContact CZ-CB 3.78Å
347N91.2Very high83.6Confident71 Ų7174 Ų7438%0.3840%0.396SS..  trans-84-5.8-164.571.9-55.4000116.2K331 A333 I334 N345K331-N347 PolarHBondContact O-N 3.07Å; A333-N347 PolarHBondContact N-OD1 2.64Å; I334-N347 HydrophobicContact CD1-CB 3.9Å; I334-N347 HydrophobicContact CG1-CB 4.33Å; I334-N347 VanDerWaalsContact CG1-CG 3.45Å; I334-N347 VanDerWaalsContact CG1-ND2 3.34Å; I334-N347 WeakPolarHBondContact CG1-ND2 3Å; I334-N347 WeakPolarHBondContact CG1-OD1 3.46Å; N345-N347 PolarHBondContact O-N 2.9Å
348R89.7Confident82.7Confident129 Ų12970.9 Ų70.949%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-126.7124.2-174.2-174.2173.3-178.8177.93.2111.3N330 K331 A333 F346N330-R348 CarbonylContact C-O 3.56Å; N330-R348 WeakPolarHBondContact CA-O 3.49Å; K331-R348 HydrophobicContact CG-CB 4.2Å; K331-R348 HydrophobicContact CG-CG 4.49Å; K331-R348 WeakPolarHBondContact CG-O 2.85Å; K331-R348 PolarHBondContact N-O 2.95Å; K331-R348 PolarHBondContact O-N 2.86Å; A333-R348 HydrophobicContact CB-CB 3.72Å; A333-R348 HydrophobicContact CB-CG 4.3Å; F346-R348 PolarHBondContact O-N 2.86Å
349V87.7Confident81.9Confident57 Ų5775.7 Ų75.735%0.34540%0.395SS..EExtended strand (participates in β ladder)trans-62.8138.1172.7-177.70000109.9
350I83.8Confident81.3Confident19 Ų1970.8 Ų70.810%0.09738%0.381CS..SBendtrans-70.1-35.5-177.7-66.1-178.1000111.7L183 T184 S329 K331 P352L183-I350 HydrophobicContact CB-CG2 4.01Å; L183-I350 HydrophobicContact CD2-CG2 4.5Å; T184-I350 HydrophobicContact CG2-CD1 3.79Å; T184-I350 HydrophobicContact CG2-CG2 4.39Å; S329-I350 WeakPolarHBondContact O-CG1 3.48Å; S329-I350 PolarHBondContact O-N 2.87Å; S329-I350 WeakPolarHBondContact OG-CD1 3.46Å; K331-I350 HydrophobicContact CB-CD1 4.35Å; K331-I350 HydrophobicContact CB-CG1 3.94Å; K331-I350 HydrophobicContact CD-CG1 4.31Å; K331-I350 HydrophobicContact CG-CG1 4.04Å; I350-P352 WeakPolarHBondContact O-CD 3.13Å
351L76.1Confident81Confident48 Ų4870.8 Ų70.825%0.25138%0.376SS..  trans-120.775.4-178.7-68171000111.2L178 L183 T353 L354L178-L351 HydrophobicContact CD2-CD2 3.74Å; L183-L351 HydrophobicContact CD1-CD2 4.1Å; L183-L351 HydrophobicContact CD2-CD2 3.48Å; L183-L351 VanDerWaalsContact CD2-CD2 3.48Å; L183-L351 HydrophobicContact CG-CD2 4.45Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 2.9Å; L351-L354 HydrophobicContact CB-CD1 3.43Å; L351-L354 VanDerWaalsContact CB-CD1 3.43Å; L351-L354 HydrophobicContact CB-CG 3.87Å; L351-L354 HydrophobicContact CD1-CD1 3.9Å; L351-L354 HydrophobicContact CG-CD1 4.31Å
352P70.7Confident80.6Confident82 Ų8271.7 Ų71.753%0.53239%0.385SS..THydrogen-bonded Turntrans-73.7-17.2-175.230.6-36000113.9I350I350-P352 WeakPolarHBondContact O-CD 3.13Å
353T70.1Confident80.6Confident135 Ų13568.1 Ų68.183%0.82837%0.367SS*.THydrogen-bonded Turntrans-92.99.2-176.552.80000113.6L351L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 2.9Å
354L68.3Low80.4Confident53 Ų5370.6 Ų70.628%0.27738%0.381SS..SBendtrans-65.5143.6174.6-78.4164.1000110.5L351 F358 Q359L351-L354 HydrophobicContact CB-CD1 3.43Å; L351-L354 VanDerWaalsContact CB-CD1 3.43Å; L351-L354 HydrophobicContact CB-CG 3.87Å; L351-L354 HydrophobicContact CD1-CD1 3.9Å; L351-L354 HydrophobicContact CG-CD1 4.31Å; L354-F358 HydrophobicContact CB-CB 4.27Å; L354-F358 HydrophobicContact CD2-CB 4.16Å; L354-Q359 PolarHBondContact O-NE2 3.05Å
355E64.9Low80.1Confident116 Ų11676.2 Ų76.254%0.54241%0.411SS..  trans-52.5147.7170.1-59.2173.8172.500109.7Q357 F358 Q359E355-Q357 HydrophobicContact CB-CG 4.03Å; E355-Q357 PolarHBondContact O-N 2.88Å; E355-Q357 PolarHBondContact OE2-NE2 3.45Å; E355-F358 HydrophobicContact CB-CD2 3.99Å; E355-F358 CarbonylContact O-C 3.54Å; E355-F358 WeakPolarHBondContact O-CA 3.21Å; E355-F358 PolarHBondContact O-N 3.01Å; E355-F358 VanDerWaalsContact OE2-CE2 3.29Å; E355-F358 WeakPolarHBondContact OE2-CE2 3.35Å; E355-Q359 PolarHBondContact O-N 2.83Å
356T68.7Low80Confident116 Ų11674 Ų7471%0.71240%0.4SS*.G310 helixtrans-55.2-32.1-173.550.90000113.2F358 Q359T356-F358 VanDerWaalsContact C-N 3.26Å; T356-F358 PolarHBondContact O-N 3.46Å; T356-Q359 PolarHBondContact O-N 3.2Å
357Q62.7Low80.1Confident140 Ų14075.4 Ų75.465%0.65441%0.408SS*.G310 helixtrans-68.7-16.9175.564.1-155.820.400115.2E355E355-Q357 HydrophobicContact CB-CG 4.03Å; E355-Q357 PolarHBondContact O-N 2.88Å; E355-Q357 PolarHBondContact OE2-NE2 3.45Å
358F68.1Low80.4Confident45 Ų4572 Ų7220%0.19739%0.39CS..G310 helixtrans-112.914.8177-57.2-60.2000112.2M159 F327 L354 E355 T356M159-F358 HydrophobicContact SD-CB 4.09Å; M159-F358 HydrophobicContact SD-CD1 4.42Å; F327-F358 WeakPolarHBondContact CZ-O 3.33Å; L354-F358 HydrophobicContact CB-CB 4.27Å; L354-F358 HydrophobicContact CD2-CB 4.16Å; E355-F358 HydrophobicContact CB-CD2 3.99Å; E355-F358 CarbonylContact O-C 3.54Å; E355-F358 WeakPolarHBondContact O-CA 3.21Å; E355-F358 PolarHBondContact O-N 3.01Å; E355-F358 VanDerWaalsContact OE2-CE2 3.29Å; E355-F358 WeakPolarHBondContact OE2-CE2 3.35Å; T356-F358 VanDerWaalsContact C-N 3.26Å; T356-F358 PolarHBondContact O-N 3.46Å
359Q71.8Confident80.7Confident112 Ų11271 Ų7152%0.52339%0.391SS..  trans-78.2134.9171.7-70.2-178.78.200110.2L354 E355 T356L354-Q359 PolarHBondContact O-NE2 3.05Å; E355-Q359 PolarHBondContact O-N 2.83Å; T356-Q359 PolarHBondContact O-N 3.2Å
360G78.4Confident81Confident30 Ų3068.4 Ų68.431%0.30938%0.375SS..  trans-85179.6175.900000113F327F327-G360 CarbonylContact O-C 3.54Å; F327-G360 WeakPolarHBondContact O-CA 3.16Å
361E86.1Confident81.4Confident65 Ų6570.8 Ų70.830%0.30439%0.39SS..PPolyproline II helixtrans-62.8143.3171.7-62.9-71.6-178.400110.9F327 F328 F368 T371F327-E361 PolarHBondContact O-N 3.03Å; F328-E361 HydrophobicContact CB-CB 4.44Å; F328-E361 VanDerWaalsContact CB-O 3.24Å; F328-E361 WeakPolarHBondContact CB-O 3.43Å; E361-F368 HydrophobicContact CB-CE2 4.18Å; E361-F368 HydrophobicContact CG-CE2 4.2Å; E361-T371 PolarHBondContact OE1-OG1 2.7Å; E361-T371 VanDerWaalsContact OE1-OG1 3.08Å
362T84.6Confident82.1Confident105 Ų10569.2 Ų69.264%0.64438%0.382SS*.PPolyproline II helixtrans-92.2135.3176.9-61.20000110.2
363L92Very high83.2Confident12 Ų1268.1 Ų68.16%0.06337%0.369CS..PPolyproline II helixtrans-80.2129.7173.1-59.6-177.5000110.7F328 N330 F346 T367 F368 F447F328-L363 HydrophobicContact CD1-CD2 4.06Å; F328-L363 HydrophobicContact CD2-CD1 3.8Å; F328-L363 HydrophobicContact CD2-CD2 3.65Å; F328-L363 HydrophobicContact CD2-CG 3.89Å; F328-L363 HydrophobicContact CE1-CD2 4.16Å; F328-L363 HydrophobicContact CE2-CD1 3.88Å; F328-L363 HydrophobicContact CE2-CD2 3.77Å; F328-L363 HydrophobicContact CE2-CG 4.26Å; F328-L363 HydrophobicContact CG-CD2 3.8Å; F328-L363 HydrophobicContact CG-CG 4.29Å; F328-L363 HydrophobicContact CZ-CD2 4.02Å; N330-L363 HydrophobicContact CB-CD1 3.81Å; F346-L363 HydrophobicContact CB-CD1 4.05Å; L363-T367 WeakPolarHBondContact CA-O 3.41Å; L363-F368 HydrophobicContact CD2-CB 3.63Å; L363-F368 HydrophobicContact CD2-CD2 4.35Å; L363-F447 HydrophobicContact CD1-CD1 4.04Å
364V91.4Very high84.4Confident99 Ų9961.7 Ų61.760%0.633%0.33SS*.BIsolated β-bridgetrans-93.7110.6173.7-176.60000108G366 T367V364-G366 PolarHBondContact O-N 3.04Å; V364-T367 PolarHBondContact N-O 3.1Å; V364-T367 WeakPolarHBondContact O-CB 3.1Å; V364-T367 PolarHBondContact O-N 2.91Å
365N89.4Confident85.6Confident121 Ų12160 Ų6065%0.64732%0.322SS*.THydrogen-bonded Turntrans51.939.1-177.1-62-21.2000113.7T367N365-T367 VanDerWaalsContact C-N 3.27Å; N365-T367 PolarHBondContact O-N 3.22Å
366G91.4Very high87.1Confident0 Ų054.5 Ų54.50%030%0.296CS..THydrogen-bonded Turntrans78.84.6-177.500000115.2N345 V364N345-G366 PolarHBondContact OD1-N 3.34Å; V364-G366 PolarHBondContact O-N 3.04Å
367T96.1Very high88.3Confident28 Ų2851 Ų5117%0.17227%0.271CS..BIsolated β-bridgetrans-103128.3178.6-54.80000111.1L363 V364 N365 K425 Y427L363-T367 WeakPolarHBondContact CA-O 3.41Å; V364-T367 PolarHBondContact N-O 3.1Å; V364-T367 WeakPolarHBondContact O-CB 3.1Å; V364-T367 PolarHBondContact O-N 2.91Å; N365-T367 VanDerWaalsContact C-N 3.27Å; N365-T367 PolarHBondContact O-N 3.22Å; T367-K425 HydrophobicContact CG2-CB 3.81Å; T367-K425 HydrophobicContact CG2-CD 4.36Å; T367-K425 HydrophobicContact CG2-CG 4.19Å; T367-Y427 HydrophobicContact CG2-CD1 4.07Å
368F96.6Very high89.9Confident1 Ų144.4 Ų44.40%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-84.9135.4167.7173.1-107.6000109.2F328 E361 L363 C370 Y376 F378 L420 K425 I426F328-F368 HydrophobicContact CD1-CB 4.31Å; F328-F368 AromaticContact CD1-CD2 3.33Å; F328-F368 HydrophobicContact CD1-CD2 3.33Å; F328-F368 AromaticContact CD1-CE2 3.8Å; F328-F368 HydrophobicContact CD1-CE2 3.8Å; F328-F368 AromaticContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CE1-CB 3.62Å; F328-F368 HydrophobicContact CE1-CD1 4.16Å; F328-F368 AromaticContact CE1-CD2 3.33Å; F328-F368 HydrophobicContact CE1-CD2 3.33Å; F328-F368 AromaticContact CE1-CE2 3.99Å; F328-F368 HydrophobicContact CE1-CE2 3.99Å; F328-F368 AromaticContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CE1-CG 3.42Å; F328-F368 VanDerWaalsContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CG-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CB 3.96Å; F328-F368 HydrophobicContact CZ-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CG 4.24Å; E361-F368 HydrophobicContact CB-CE2 4.18Å; E361-F368 HydrophobicContact CG-CE2 4.2Å; L363-F368 HydrophobicContact CD2-CB 3.63Å; L363-F368 HydrophobicContact CD2-CD2 4.35Å; F368-C370 HydrophobicContact CE1-CB 4.25Å; F368-Y376 HydrophobicContact CE1-CD1 4.31Å; F368-Y376 HydrophobicContact CE1-CE1 4.05Å; F368-Y376 HydrophobicContact CZ-CD1 4.3Å; F368-Y376 AromaticContact CZ-CE1 3.68Å; F368-Y376 HydrophobicContact CZ-CE1 3.68Å; F368-F378 AromaticContact CD1-CE1 3.83Å; F368-F378 HydrophobicContact CD1-CE1 3.83Å; F368-F378 AromaticContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CE1-CE1 4.23Å; F368-F378 AromaticContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CG-CE1 4.36Å; F368-L420 HydrophobicContact CE1-CD1 4.04Å; F368-K425 CarbonylContact O-C 3.5Å; F368-K425 VanDerWaalsContact O-CA 3.29Å; F368-K425 WeakPolarHBondContact O-CA 3.35Å; F368-I426 HydrophobicContact CB-CB 4.36Å; F368-I426 HydrophobicContact CD1-CB 4.2Å; F368-I426 HydrophobicContact CD1-CG1 4.17Å; F368-I426 PolarHBondContact N-O 3.31Å; F368-I426 PolarHBondContact O-N 3.38Å
369Q95.3Very high91.1Very high107 Ų10742.3 Ų42.350%0.523%0.231SC..EExtended strand (participates in β ladder)trans-115124.1172.3-173.1172.917.800109T371 D424Q369-T371 PolarHBondContact O-N 2.77Å; Q369-D424 WeakPolarHBondContact CA-O 3.34Å
370C94.2Very high92.2Very high2 Ų237 Ų371%0.01421%0.206CC..  trans-66.5119.7180-1750000110.5F368 I372 L420 E421 G423 D424F368-C370 HydrophobicContact CE1-CB 4.25Å; C370-I372 PolarHBondContact SG-O 2.91Å; C370-L420 HydrophobicContact CB-CB 4.2Å; C370-L420 HydrophobicContact CB-CD1 4.17Å; C370-E421 VanDerWaalsContact CB-O 3.26Å; C370-E421 WeakPolarHBondContact CB-O 3.3Å; C370-E421 PolarHBondContact SG-O 2.87Å; C370-G423 PolarHBondContact O-N 3.22Å; C370-D424 HydrophobicContact CB-CB 4.06Å; C370-D424 WeakPolarHBondContact CB-O 3.22Å; C370-D424 PolarHBondContact N-O 3.29Å
371T91.9Very high92.8Very high69 Ų6937.2 Ų37.242%0.42320%0.199SC..  trans-100.9-19.6175.552.30000112.3E361 Q369E361-T371 PolarHBondContact OE1-OG1 2.7Å; E361-T371 VanDerWaalsContact OE1-OG1 3.08Å; Q369-T371 PolarHBondContact O-N 2.77Å
372I91.6Very high93.1Very high16 Ų1634.1 Ų34.18%0.08218%0.184CC..SBendtrans-132.5115.3-171.5-64.1156.2000107.3Q324 C370 G374 Y376 L451 P454Q324-I372 HydrophobicContact CB-CD1 4.28Å; Q324-I372 HydrophobicContact CG-CB 4.3Å; Q324-I372 HydrophobicContact CG-CD1 3.31Å; Q324-I372 HydrophobicContact CG-CG1 3.55Å; Q324-I372 HydrophobicContact CG-CG2 3.78Å; C370-I372 PolarHBondContact SG-O 2.91Å; I372-G374 PolarHBondContact O-N 3.48Å; I372-Y376 VanDerWaalsContact O-CE2 3.26Å; I372-Y376 WeakPolarHBondContact O-CE2 3.27Å; I372-Y376 PolarHBondContact O-OH 3.41Å; I372-L451 HydrophobicContact CG2-CD2 3.73Å; I372-P454 HydrophobicContact CG2-CB 4.37Å
373K94Very high93.4Very high58 Ų5829.1 Ų29.125%0.25215%0.154SC..  trans-58.1133.4175.5-170.5-171.3173.1-176.40110.3L420 E421 V422 P454 T455 S456K373-L420 WeakPolarHBondContact CA-O 3.37Å; K373-L420 WeakPolarHBondContact CG-O 3.02Å; K373-E421 VanDerWaalsContact CD-OE2 3.3Å; K373-E421 WeakPolarHBondContact CD-OE2 3.21Å; K373-E421 VanDerWaalsContact CE-OE1 3.22Å; K373-E421 WeakPolarHBondContact CE-OE1 3.46Å; K373-E421 VanDerWaalsContact CE-OE2 3.26Å; K373-E421 WeakPolarHBondContact CE-OE2 3.12Å; K373-E421 WeakPolarHBondContact CG-OE2 3.44Å; K373-E421 IonicContact NZ-OE1 3.81Å; K373-E421 IonicContact NZ-OE2 3.11Å; K373-V422 HydrophobicContact CB-CG2 4.15Å; K373-P454 WeakPolarHBondContact O-CA 3.35Å; K373-T455 WeakPolarHBondContact CG-OG1 3.03Å; K373-T455 PolarHBondContact O-N 3.25Å; K373-T455 VanDerWaalsContact O-N 3.07Å; K373-S456 PolarHBondContact NZ-O 3.37Å
374G94.1Very high93.3Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans163.6-177.4-177.800000115.4I372 Y376 L420 F453 T455I372-G374 PolarHBondContact O-N 3.48Å; G374-Y376 WeakPolarHBondContact O-CD2 3.26Å; G374-L420 PolarHBondContact N-O 2.82Å; G374-L420 PolarHBondContact O-N 3.1Å; G374-F453 WeakPolarHBondContact CA-O 3.22Å; G374-T455 VanDerWaalsContact CA-OG1 3.28Å; G374-T455 WeakPolarHBondContact CA-OG1 3.35Å; G374-T455 PolarHBondContact N-OG1 3.32Å
375V94.6Very high93.1Very high19 Ų1929.9 Ų29.912%0.11515%0.149CC..EExtended strand (participates in β ladder)trans-94.8123.4176.6179.90000109.8V417 L418 D419 I452 F453 T455V375-V417 HydrophobicContact CG1-CG1 3.35Å; V375-L418 WeakPolarHBondContact CA-O 3.35Å; V375-D419 HydrophobicContact CG2-CB 4.4Å; V375-I452 HydrophobicContact CG1-CD1 4.2Å; V375-I452 WeakPolarHBondContact O-CB 3.29Å; V375-I452 PolarHBondContact O-N 2.7Å; V375-F453 HydrophobicContact CB-CD2 3.98Å; V375-F453 HydrophobicContact CB-CE1 4.12Å; V375-F453 HydrophobicContact CB-CE2 3.52Å; V375-F453 HydrophobicContact CB-CG 4.48Å; V375-F453 HydrophobicContact CB-CZ 3.58Å; V375-F453 HydrophobicContact CG1-CE1 4.23Å; V375-F453 HydrophobicContact CG1-CE2 4.29Å; V375-F453 HydrophobicContact CG1-CZ 3.84Å; V375-F453 HydrophobicContact CG2-CD2 3.97Å; V375-F453 HydrophobicContact CG2-CE2 3.22Å; V375-F453 HydrophobicContact CG2-CZ 3.58Å; V375-F453 PolarHBondContact N-O 3.06Å; V375-F453 PolarHBondContact O-N 3.31Å; V375-T455 HydrophobicContact CG2-CG2 4.3Å
376Y95.3Very high92.9Very high0 Ų025.9 Ų25.90%013%0.13CC..EExtended strand (participates in β ladder)trans-114.7145.2-176-76.9-102.9000111.8S326 F368 I372 G374 F378 V417 L418 L420 F450 L451S326-Y376 WeakPolarHBondContact CB-OH 3.17Å; S326-Y376 PolarHBondContact OG-OH 3.01Å; S326-Y376 VanDerWaalsContact OG-OH 3.08Å; F368-Y376 HydrophobicContact CE1-CD1 4.31Å; F368-Y376 HydrophobicContact CE1-CE1 4.05Å; F368-Y376 HydrophobicContact CZ-CD1 4.3Å; F368-Y376 AromaticContact CZ-CE1 3.68Å; F368-Y376 HydrophobicContact CZ-CE1 3.68Å; I372-Y376 VanDerWaalsContact O-CE2 3.26Å; I372-Y376 WeakPolarHBondContact O-CE2 3.27Å; I372-Y376 PolarHBondContact O-OH 3.41Å; G374-Y376 WeakPolarHBondContact O-CD2 3.26Å; Y376-F378 HydrophobicContact CD1-CZ 4.14Å; Y376-F378 HydrophobicContact CG-CE2 4.23Å; Y376-F378 HydrophobicContact CG-CZ 4.1Å; Y376-V417 CarbonylContact O-C 3.55Å; Y376-V417 VanDerWaalsContact O-CA 3.26Å; Y376-V417 WeakPolarHBondContact O-CA 3.45Å; Y376-L418 PolarHBondContact N-O 2.89Å; Y376-L418 PolarHBondContact O-N 2.97Å; Y376-L420 HydrophobicContact CD2-CB 4.03Å; Y376-L420 HydrophobicContact CD2-CD1 3.66Å; Y376-L420 HydrophobicContact CD2-CG 3.89Å; Y376-L420 HydrophobicContact CE2-CB 4.25Å; Y376-L420 HydrophobicContact CE2-CD1 4.15Å; Y376-L420 HydrophobicContact CG-CD1 3.89Å; Y376-L420 HydrophobicContact CG-CG 4.43Å; Y376-F450 WeakPolarHBondContact CA-O 3.44Å; Y376-L451 HydrophobicContact CD1-CB 4.18Å; Y376-L451 HydrophobicContact CD2-CD1 3.93Å; Y376-L451 HydrophobicContact CE1-CB 3.77Å; Y376-L451 HydrophobicContact CE1-CD1 4.32Å; Y376-L451 HydrophobicContact CE2-CB 4.49Å; Y376-L451 HydrophobicContact CE2-CD1 3.51Å; Y376-L451 HydrophobicContact CG-CD1 4.49Å
377F95.1Very high92.8Very high42 Ų4230.8 Ų30.818%0.18415%0.149CC..EExtended strand (participates in β ladder)trans-100.5131.9164.7-179.5-97.4000109.6Y161 V417 G449 F450 I452Y161-F377 HydrophobicContact CE1-CE1 4.1Å; Y161-F377 AromaticContact CZ-CE1 3.85Å; F377-V417 HydrophobicContact CD2-CG2 3.97Å; F377-G449 CarbonylContact O-C 3.43Å; F377-G449 WeakPolarHBondContact O-CA 3.36Å; F377-F450 HydrophobicContact CB-CD2 4.35Å; F377-F450 HydrophobicContact CB-CE1 4.18Å; F377-F450 HydrophobicContact CB-CE2 3.86Å; F377-F450 HydrophobicContact CB-CZ 3.76Å; F377-F450 HydrophobicContact CD1-CD1 4.26Å; F377-F450 AromaticContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE1 3.41Å; F377-F450 VanDerWaalsContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE2 4.45Å; F377-F450 AromaticContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CE1-CE1 4.18Å; F377-F450 HydrophobicContact CE1-CZ 4.37Å; F377-F450 HydrophobicContact CG-CE1 4.18Å; F377-F450 HydrophobicContact CG-CE2 4.46Å; F377-F450 AromaticContact CG-CZ 3.89Å; F377-F450 HydrophobicContact CG-CZ 3.89Å; F377-F450 PolarHBondContact N-O 2.93Å; F377-F450 PolarHBondContact O-N 2.65Å; F377-I452 HydrophobicContact CB-CD1 3.93Å; F377-I452 HydrophobicContact CB-CG1 4.04Å
378F95.6Very high92.6Very high1 Ų129.5 Ų29.50%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-120.9141.1173.9-65.4-80000110.4F328 F368 Y376 L392 S415 A416 L418 L420 I426 F447 T448F328-F378 HydrophobicContact CE1-CD1 4.26Å; F328-F378 AromaticContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CZ-CD1 4.03Å; F328-F378 AromaticContact CZ-CE1 4Å; F328-F378 HydrophobicContact CZ-CE1 4Å; F368-F378 AromaticContact CD1-CE1 3.83Å; F368-F378 HydrophobicContact CD1-CE1 3.83Å; F368-F378 AromaticContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CE1-CE1 4.23Å; F368-F378 AromaticContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CG-CE1 4.36Å; Y376-F378 HydrophobicContact CD1-CZ 4.14Å; Y376-F378 HydrophobicContact CG-CE2 4.23Å; Y376-F378 HydrophobicContact CG-CZ 4.1Å; F378-L392 HydrophobicContact CB-CD2 4.48Å; F378-S415 CarbonylContact O-C 3.55Å; F378-S415 WeakPolarHBondContact O-CA 3.1Å; F378-S415 WeakPolarHBondContact O-CB 3.48Å; F378-A416 PolarHBondContact N-O 3.04Å; F378-A416 PolarHBondContact O-N 3.04Å; F378-L418 HydrophobicContact CD2-CB 4.36Å; F378-L418 HydrophobicContact CD2-CD1 3.89Å; F378-L418 HydrophobicContact CD2-CG 4.25Å; F378-L418 HydrophobicContact CE2-CB 4.18Å; F378-L418 HydrophobicContact CE2-CD1 4.04Å; F378-L418 HydrophobicContact CE2-CG 4.47Å; F378-L420 HydrophobicContact CE2-CD1 3.83Å; F378-L420 HydrophobicContact CZ-CD1 3.67Å; F378-I426 HydrophobicContact CD1-CG2 4.06Å; F378-I426 HydrophobicContact CD2-CG2 4.35Å; F378-I426 HydrophobicContact CE1-CB 4.13Å; F378-I426 HydrophobicContact CE1-CG1 4.29Å; F378-I426 HydrophobicContact CE1-CG2 3.96Å; F378-I426 HydrophobicContact CE2-CG1 4.07Å; F378-I426 HydrophobicContact CE2-CG2 4.27Å; F378-I426 HydrophobicContact CG-CG2 4.25Å; F378-I426 HydrophobicContact CZ-CB 4.1Å; F378-I426 HydrophobicContact CZ-CG1 3.75Å; F378-I426 HydrophobicContact CZ-CG2 4.1Å; F378-F447 HydrophobicContact CB-CE2 4.23Å; F378-F447 HydrophobicContact CD1-CE2 4.04Å; F378-F447 AromaticContact CD1-CZ 3.9Å; F378-F447 HydrophobicContact CD1-CZ 3.9Å; F378-T448 CarbonylContact C-O 3.51Å; F378-T448 WeakPolarHBondContact CA-O 3.27Å
379S94.3Very high92.5Very high1 Ų129.5 Ų29.51%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-145.6137.8173.4-172.10000111.5H381 G414 S415 T448S379-H381 PolarHBondContact OG-NE2 3.29Å; S379-G414 WeakPolarHBondContact CA-O 3.42Å; S379-S415 PolarHBondContact OG-OG 3.11Å; S379-S415 VanDerWaalsContact OG-OG 3.06Å; S379-T448 PolarHBondContact N-O 3.45Å; S379-T448 PolarHBondContact O-N 2.99Å
380F94.2Very high92.5Very high2 Ų224.4 Ų24.41%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-128.8151.5172.761.8-98.6000111.6V382 L390 L392 F400 L402 S413 G414 V428 S446 F447F380-V382 HydrophobicContact CD2-CG2 4.34Å; F380-L390 HydrophobicContact CD2-CD1 3.97Å; F380-L390 HydrophobicContact CE2-CB 4.01Å; F380-L390 HydrophobicContact CE2-CD1 3.65Å; F380-L390 HydrophobicContact CE2-CG 4.49Å; F380-L390 HydrophobicContact CZ-CB 4.17Å; F380-L392 HydrophobicContact CE1-CB 4.43Å; F380-F400 AromaticContact CE1-CE2 3.98Å; F380-F400 HydrophobicContact CE1-CE2 3.98Å; F380-F400 AromaticContact CE1-CZ 3.76Å; F380-F400 HydrophobicContact CE1-CZ 3.76Å; F380-F400 AromaticContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CZ 4.17Å; F380-L402 HydrophobicContact CZ-CD1 4.43Å; F380-S413 WeakPolarHBondContact O-CA 3.18Å; F380-S413 WeakPolarHBondContact O-CB 3.41Å; F380-G414 PolarHBondContact N-O 2.92Å; F380-G414 PolarHBondContact O-N 3.24Å; F380-G414 VanDerWaalsContact O-N 3.16Å; F380-V428 HydrophobicContact CB-CG2 4.04Å; F380-V428 HydrophobicContact CD1-CG1 4.4Å; F380-V428 HydrophobicContact CD1-CG2 3.66Å; F380-V428 HydrophobicContact CE1-CG2 4.32Å; F380-V428 HydrophobicContact CG-CG1 4.42Å; F380-V428 HydrophobicContact CG-CG2 3.96Å; F380-S446 CarbonylContact C-O 3.51Å; F380-S446 VanDerWaalsContact CA-O 3.22Å; F380-S446 WeakPolarHBondContact CA-O 3.5Å; F380-F447 HydrophobicContact CB-CB 4.49Å; F380-F447 HydrophobicContact CB-CD2 3.93Å
381H91.6Very high92.6Very high33 Ų3325.5 Ų25.515%0.15312%0.122CC..EExtended strand (participates in β ladder)trans-135.3121.7173.5-59.6-95.2000108F186 S379 V411 T412 S413 H445 S446F186-H381 HydrophobicContact CD1-CB 4.19Å; F186-H381 HydrophobicContact CE1-CB 3.47Å; F186-H381 VanDerWaalsContact CE1-CB 3.47Å; F186-H381 HydrophobicContact CZ-CB 3.75Å; S379-H381 PolarHBondContact OG-NE2 3.29Å; H381-V411 HydrophobicContact CB-CG1 4.26Å; H381-T412 WeakPolarHBondContact CA-O 3.47Å; H381-S413 VanDerWaalsContact ND1-CB 3.34Å; H381-S413 WeakPolarHBondContact ND1-CB 3.02Å; H381-H445 CarbonylContact O-C 3.57Å; H381-H445 VanDerWaalsContact O-CA 3.27Å; H381-H445 WeakPolarHBondContact O-CA 3.49Å; H381-S446 PolarHBondContact N-O 2.96Å; H381-S446 PolarHBondContact O-N 3.41Å
382V92.5Very high92.8Very high0 Ų022.3 Ų22.30%010%0.102CC..EExtended strand (participates in β ladder)trans-132.6127.5-175.9176.50000109.2F346 F380 L390 T412 I436F346-V382 HydrophobicContact CZ-CG2 4.28Å; F380-V382 HydrophobicContact CD2-CG2 4.34Å; V382-L390 HydrophobicContact CB-CD1 3.58Å; V382-L390 HydrophobicContact CG1-CD1 4.02Å; V382-L390 HydrophobicContact CG2-CD1 3.57Å; V382-T412 HydrophobicContact CB-CG2 4.09Å; V382-T412 PolarHBondContact N-O 3.07Å; V382-T412 WeakPolarHBondContact O-CG2 3.31Å; V382-T412 PolarHBondContact O-N 2.81Å; V382-I436 HydrophobicContact CG1-CB 4.47Å; V382-I436 HydrophobicContact CG1-CD1 4.17Å; V382-I436 HydrophobicContact CG1-CG1 3.93Å; V382-I436 HydrophobicContact CG1-CG2 3.83Å
383S90.3Very high93.1Very high1 Ų122 Ų221%0.00710%0.1CC..EExtended strand (participates in β ladder)trans-88.5135.7179.4-56.80000111.3L410 V437 T443 S444 H445S383-L410 CarbonylContact C-O 3.17Å; S383-L410 WeakPolarHBondContact CA-O 3.34Å; S383-V437 PolarHBondContact O-N 3.42Å; S383-T443 WeakPolarHBondContact CB-OG1 3.49Å; S383-T443 PolarHBondContact OG-OG1 2.97Å; S383-S444 PolarHBondContact OG-O 2.91Å; S383-H445 PolarHBondContact N-CE1 2.94Å; S383-H445 PolarHBondContact N-ND1 3.15Å; S383-H445 PolarHBondContact O-CE1 2.96Å
384A89.8Confident93.3Very high0 Ų022.1 Ų22.10%010%0.101CC..EExtended strand (participates in β ladder)trans-133.4157-178.900000111.7V388 F409 L410 N435A384-V388 HydrophobicContact CB-CB 3.63Å; A384-V388 HydrophobicContact CB-CG1 3.44Å; A384-V388 VanDerWaalsContact CB-CG1 3.44Å; A384-V388 HydrophobicContact CB-CG2 4.29Å; A384-F409 WeakPolarHBondContact O-CA 3.34Å; A384-L410 HydrophobicContact CB-CD1 4.25Å; A384-L410 HydrophobicContact CB-CG 4.24Å; A384-L410 PolarHBondContact N-O 3.01Å; A384-L410 PolarHBondContact O-N 3.26Å; A384-N435 CarbonylContact C-O 3.36Å; A384-N435 VanDerWaalsContact CA-O 3.26Å; A384-N435 WeakPolarHBondContact CA-O 3.35Å; A384-N435 WeakPolarHBondContact CB-O 3.34Å
385K86.7Confident93.3Very high126 Ų12623.5 Ų23.555%0.54812%0.115SC..EExtended strand (participates in β ladder)trans-90.4-17.2176.9-70.4-170.5176.5177.90114.1S408 F409 N435 V437K385-S408 CarbonylContact C-O 3.48Å; K385-S408 CarbonylContact O-C 3.6Å; K385-F409 HydrophobicContact CG-CD1 4.31Å; K385-F409 HydrophobicContact CG-CE1 3.82Å; K385-F409 HydrophobicContact CG-CZ 4.26Å; K385-N435 PolarHBondContact N-O 3.19Å; K385-V437 HydrophobicContact CG-CG2 3.85Å
386S85.8Confident93.2Very high37 Ų3728.3 Ų28.326%0.25915%0.15SC..EExtended strand (participates in β ladder)trans-160-132.2-177.866.90000110V388 S406 L410 N435S386-V388 PolarHBondContact O-N 3.09Å; S386-S406 VanDerWaalsContact CA-O 3.31Å; S386-S406 WeakPolarHBondContact CA-O 3.41Å; S386-L410 WeakPolarHBondContact O-CD2 3.34Å; S386-N435 VanDerWaalsContact OG-CB 3.25Å; S386-N435 WeakPolarHBondContact OG-CB 3.06Å; S386-N435 PolarHBondContact OG-ND2 3.16Å
387R89.3Confident93.2Very high104 Ų10435.6 Ų35.639%0.39218%0.181SC..EExtended strand (participates in β ladder)trans-70.4126.4177.7-169.4176179.2169.31.3111.3D404 Y433 N435R387-D404 WeakPolarHBondContact CA-O 3.31Å; R387-Y433 HydrophobicContact CG-CD1 4.27Å; R387-Y433 HydrophobicContact CG-CG 4.11Å; R387-Y433 VanDerWaalsContact CZ-CE2 3.46Å; R387-N435 PolarHBondContact O-ND2 3.39Å
388V92.8Very high93.2Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-135.9138.2174.363.60000109.8A384 S386 L390 C403 D404 L410 T412 Y433 I436A384-V388 HydrophobicContact CB-CB 3.63Å; A384-V388 HydrophobicContact CB-CG1 3.44Å; A384-V388 VanDerWaalsContact CB-CG1 3.44Å; A384-V388 HydrophobicContact CB-CG2 4.29Å; S386-V388 PolarHBondContact O-N 3.09Å; V388-L390 HydrophobicContact CG2-CD2 3.96Å; V388-L390 HydrophobicContact CG2-CG 4.06Å; V388-C403 WeakPolarHBondContact O-CA 3.32Å; V388-D404 PolarHBondContact N-O 2.88Å; V388-D404 PolarHBondContact O-N 3.43Å; V388-D404 VanDerWaalsContact O-O 3.12Å; V388-L410 HydrophobicContact CG1-CD1 3.95Å; V388-T412 HydrophobicContact CG1-CG2 3.68Å; V388-Y433 CarbonylContact C-O 3.59Å; V388-Y433 WeakPolarHBondContact CA-O 3.34Å; V388-I436 HydrophobicContact CG2-CG1 3.92Å
389C93.3Very high93.1Very high1 Ų141.8 Ų41.81%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-129.3125.9174.5-700000108.9M401 L402 C403 S431 Y433C389-M401 HydrophobicContact CB-SD 4.31Å; C389-L402 CarbonylContact C-O 3.4Å; C389-L402 WeakPolarHBondContact CA-O 3.27Å; C389-C403 HydrophobicContact CB-CB 4.16Å; C389-C403 WeakPolarHBondContact CB-SG 3.45Å; C389-C403 WeakPolarHBondContact SG-CB 3.35Å; C389-C403 CovalentContact SG-SG 2.03Å; C389-C403 PolarHBondContact SG-SG 3.4Å; C389-S431 WeakPolarHBondContact O-CB 3.32Å; C389-S431 PolarHBondContact O-N 3.16Å; C389-Y433 HydrophobicContact CB-CD2 4.46Å; C389-Y433 PolarHBondContact N-O 2.04Å
390L95.4Very high93Very high0 Ų043.8 Ų43.80%022%0.219CC..EExtended strand (participates in β ladder)trans-124.3141.9-176.7-59179.3000109.9I344 F380 V382 V388 M401 L402 T412 V428 I436I344-L390 HydrophobicContact CD1-CD2 3.62Å; F380-L390 HydrophobicContact CD2-CD1 3.97Å; F380-L390 HydrophobicContact CE2-CB 4.01Å; F380-L390 HydrophobicContact CE2-CD1 3.65Å; F380-L390 HydrophobicContact CE2-CG 4.49Å; F380-L390 HydrophobicContact CZ-CB 4.17Å; V382-L390 HydrophobicContact CB-CD1 3.58Å; V382-L390 HydrophobicContact CG1-CD1 4.02Å; V382-L390 HydrophobicContact CG2-CD1 3.57Å; V388-L390 HydrophobicContact CG2-CD2 3.96Å; V388-L390 HydrophobicContact CG2-CG 4.06Å; L390-M401 WeakPolarHBondContact O-CA 3.5Å; L390-L402 PolarHBondContact N-O 3.24Å; L390-L402 PolarHBondContact O-N 3.38Å; L390-T412 HydrophobicContact CD1-CG2 3.39Å; L390-T412 HydrophobicContact CG-CG2 4.12Å; L390-V428 HydrophobicContact CB-CG1 4.2Å; L390-I436 HydrophobicContact CD2-CD1 4.22Å
391K96.1Very high92.9Very high26 Ų2647.3 Ų47.311%0.11324%0.237CC..EExtended strand (participates in β ladder)trans-114.6139.5177.4-57.4170-175.6169.10109.9M393 E398 F400 M401 V428 E429K391-M393 HydrophobicContact CB-CG 4.43Å; K391-M393 HydrophobicContact CB-SD 3.85Å; K391-M393 HydrophobicContact CD-SD 4.1Å; K391-E398 HydrophobicContact CB-CG 4.26Å; K391-E398 HydrophobicContact CD-CG 4.3Å; K391-E398 WeakPolarHBondContact CD-OE2 3.35Å; K391-E398 WeakPolarHBondContact CE-OE2 3.35Å; K391-E398 HydrophobicContact CG-CG 4.27Å; K391-E398 IonicContact NZ-OE2 3.97Å; K391-F400 WeakPolarHBondContact CA-O 3.29Å; K391-M401 HydrophobicContact CD-CE 4.09Å; K391-M401 VanDerWaalsContact CE-CE 3.42Å; K391-M401 HydrophobicContact CG-CB 4.1Å; K391-M401 HydrophobicContact CG-CE 3.87Å; K391-M401 HydrophobicContact CG-CG 3.9Å; K391-M401 HydrophobicContact CG-SD 4.45Å; K391-V428 CarbonylContact O-C 3.55Å; K391-V428 WeakPolarHBondContact O-CA 3.16Å; K391-E429 HydrophobicContact CB-CB 4.3Å; K391-E429 WeakPolarHBondContact CD-OE1 3.44Å; K391-E429 PolarHBondContact N-O 3.33Å; K391-E429 IonicContact NZ-OE1 3.78Å; K391-E429 PolarHBondContact NZ-OE1 3.11Å; K391-E429 PolarHBondContact O-N 2.91Å
392L97.3Very high92.9Very high1 Ų148.8 Ų48.81%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-93.6121.1163.5-171.169.4000108.6F378 F380 H399 F400 A416 L418 I426 V428 F447F378-L392 HydrophobicContact CB-CD2 4.48Å; F380-L392 HydrophobicContact CE1-CB 4.43Å; L392-H399 WeakPolarHBondContact O-CB 3.25Å; L392-H399 PolarHBondContact O-N 3.4Å; L392-F400 HydrophobicContact CB-CD1 4.11Å; L392-F400 HydrophobicContact CB-CE1 3.63Å; L392-F400 HydrophobicContact CB-CE2 4.17Å; L392-F400 HydrophobicContact CB-CZ 3.68Å; L392-F400 HydrophobicContact CD2-CD1 4.34Å; L392-F400 HydrophobicContact CD2-CE1 3.53Å; L392-F400 HydrophobicContact CD2-CZ 4.07Å; L392-F400 HydrophobicContact CG-CE1 4.23Å; L392-F400 HydrophobicContact CG-CZ 4.49Å; L392-F400 PolarHBondContact N-O 3Å; L392-A416 HydrophobicContact CD2-CB 3.84Å; L392-L418 HydrophobicContact CD2-CD1 4.15Å; L392-I426 HydrophobicContact CD1-CG2 3.95Å; L392-I426 HydrophobicContact CG-CG2 4.49Å; L392-V428 HydrophobicContact CD1-CG2 4.21Å; L392-F447 HydrophobicContact CD1-CE2 4.28Å; L392-F447 HydrophobicContact CD1-CZ 4.35Å
393M97.7Very high92.7Very high11 Ų1151.3 Ų51.35%0.05426%0.263CS..EExtended strand (participates in β ladder)trans-106.1138.8-176.1-56.4-60.2-73.500110.6K391 K397 E398 I426 Y427 E429K391-M393 HydrophobicContact CB-CG 4.43Å; K391-M393 HydrophobicContact CB-SD 3.85Å; K391-M393 HydrophobicContact CD-SD 4.1Å; M393-K397 WeakPolarHBondContact CA-O 3.14Å; M393-E398 HydrophobicContact CE-CB 4.38Å; M393-E398 HydrophobicContact SD-CB 3.92Å; M393-E398 HydrophobicContact SD-CG 4.25Å; M393-I426 WeakPolarHBondContact O-CA 3.46Å; M393-Y427 HydrophobicContact CB-CD1 4.09Å; M393-Y427 HydrophobicContact CB-CD2 3.91Å; M393-Y427 HydrophobicContact CB-CE1 3.75Å; M393-Y427 HydrophobicContact CB-CE2 3.56Å; M393-Y427 HydrophobicContact CB-CG 4.17Å; M393-Y427 VanDerWaalsContact CB-CZ 3.47Å; M393-Y427 HydrophobicContact CG-CD2 3.98Å; M393-Y427 HydrophobicContact CG-CE2 3.47Å; M393-Y427 VanDerWaalsContact CG-CE2 3.47Å; M393-Y427 PolarHBondContact N-O 2.83Å; M393-Y427 PolarHBondContact O-N 3.2Å; M393-E429 HydrophobicContact CG-CB 3.76Å; M393-E429 HydrophobicContact SD-CB 4.49Å
394K96.9Very high92.6Very high59 Ų5954 Ų5426%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-117.1103.7165.4179.4176.8-179.2176.50108.6S396 K397 D419 L420 D424 K425 I426K394-S396 PolarHBondContact O-N 3.05Å; K394-K397 PolarHBondContact N-O 3.14Å; K394-K397 WeakPolarHBondContact O-CB 3.25Å; K394-K397 PolarHBondContact O-N 3.07Å; K394-D419 PolarHBondContact NZ-O 3.19Å; K394-L420 HydrophobicContact CD-CD2 4.05Å; K394-D424 WeakPolarHBondContact CE-OD2 3.43Å; K394-D424 IonicContact NZ-OD2 2.96Å; K394-D424 PolarHBondContact NZ-OD2 2.95Å; K394-K425 CarbonylContact C-O 3.6Å; K394-K425 WeakPolarHBondContact CA-O 3.48Å; K394-I426 HydrophobicContact CB-CD1 3.74Å; K394-I426 HydrophobicContact CD-CD1 4.36Å; K394-I426 HydrophobicContact CG-CD1 3.71Å
395G94.1Very high92.4Very high30 Ų3058.1 Ų58.131%0.30931%0.306SS..THydrogen-bonded Turntrans58.9-122.2-16700000110K425 Y427G395-K425 PolarHBondContact N-O 3.15Å; G395-Y427 VanDerWaalsContact O-CE1 3.32Å; G395-Y427 WeakPolarHBondContact O-CE1 3.39Å; G395-Y427 PolarHBondContact O-OH 2.83Å; G395-Y427 VanDerWaalsContact O-OH 3.09Å
396S93.1Very high92.2Very high119 Ų11953.4 Ų53.483%0.83229%0.289SS*.THydrogen-bonded Turntrans-89.9-4.9174.954.80000114.2K394K394-S396 PolarHBondContact O-N 3.05Å
397K95.3Very high91.9Very high153 Ų15357 Ų5767%0.66531%0.305SS*.EExtended strand (participates in β ladder)trans-90.7124.7-175.1-173.8176.4178.6178.90110.8M393 K394 H399M393-K397 WeakPolarHBondContact CA-O 3.14Å; K394-K397 PolarHBondContact N-O 3.14Å; K394-K397 WeakPolarHBondContact O-CB 3.25Å; K394-K397 PolarHBondContact O-N 3.07Å; K397-H399 PolarHBondContact O-N 3.46Å
398E94.8Very high91.4Very high81 Ų8152.6 Ų52.638%0.37929%0.29SS..EExtended strand (participates in β ladder)trans-68.1119.5165.8-175.2-179.9126.700109.1K391 M393 M401K391-E398 HydrophobicContact CB-CG 4.26Å; K391-E398 HydrophobicContact CD-CG 4.3Å; K391-E398 WeakPolarHBondContact CD-OE2 3.35Å; K391-E398 WeakPolarHBondContact CE-OE2 3.35Å; K391-E398 HydrophobicContact CG-CG 4.27Å; K391-E398 IonicContact NZ-OE2 3.97Å; M393-E398 HydrophobicContact CE-CB 4.38Å; M393-E398 HydrophobicContact SD-CB 3.92Å; M393-E398 HydrophobicContact SD-CG 4.25Å; E398-M401 WeakPolarHBondContact OE1-CB 3.42Å; E398-M401 VanDerWaalsContact OE2-CE 3.32Å; E398-M401 WeakPolarHBondContact OE2-CE 3.26Å
399H92.9Very high90.9Very high93 Ų9356.1 Ų56.143%0.43131%0.306SS..EExtended strand (participates in β ladder)trans-84.4-45.7175.9-173.162.2000111.3L392 K397 L418L392-H399 WeakPolarHBondContact O-CB 3.25Å; L392-H399 PolarHBondContact O-N 3.4Å; K397-H399 PolarHBondContact O-N 3.46Å; H399-L418 VanDerWaalsContact CE1-CD2 3.46Å; H399-L418 WeakPolarHBondContact CE1-CD2 3.15Å; H399-L418 VanDerWaalsContact NE2-CD2 3.33Å; H399-L418 WeakPolarHBondContact NE2-CD2 3.05Å
400F92.8Very high90.6Very high43 Ų4356.6 Ų56.619%0.18931%0.308CS..EExtended strand (participates in β ladder)trans-155161.9167.567.8-102.7000110.6F380 K391 L392 L402 A416F380-F400 AromaticContact CE1-CE2 3.98Å; F380-F400 HydrophobicContact CE1-CE2 3.98Å; F380-F400 AromaticContact CE1-CZ 3.76Å; F380-F400 HydrophobicContact CE1-CZ 3.76Å; F380-F400 AromaticContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CZ 4.17Å; K391-F400 WeakPolarHBondContact CA-O 3.29Å; L392-F400 HydrophobicContact CB-CD1 4.11Å; L392-F400 HydrophobicContact CB-CE1 3.63Å; L392-F400 HydrophobicContact CB-CE2 4.17Å; L392-F400 HydrophobicContact CB-CZ 3.68Å; L392-F400 HydrophobicContact CD2-CD1 4.34Å; L392-F400 HydrophobicContact CD2-CE1 3.53Å; L392-F400 HydrophobicContact CD2-CZ 4.07Å; L392-F400 HydrophobicContact CG-CE1 4.23Å; L392-F400 HydrophobicContact CG-CZ 4.49Å; L392-F400 PolarHBondContact N-O 3Å; F400-L402 HydrophobicContact CD2-CD1 4.06Å; F400-L402 HydrophobicContact CD2-CG 3.72Å; F400-L402 HydrophobicContact CE2-CD1 3.48Å; F400-L402 VanDerWaalsContact CE2-CD1 3.48Å; F400-L402 HydrophobicContact CE2-CG 3.66Å; F400-L402 HydrophobicContact CZ-CD1 4.3Å; F400-A416 HydrophobicContact CD1-CB 4.26Å; F400-A416 HydrophobicContact CE1-CB 3.67Å
401M92.4Very high90.3Very high75 Ų7558.2 Ų58.237%0.36932%0.318SS..EExtended strand (participates in β ladder)trans-121.5135.4166.8-172.7-176.8-42.400110.4C389 L390 K391 E398C389-M401 HydrophobicContact CB-SD 4.31Å; L390-M401 WeakPolarHBondContact O-CA 3.5Å; K391-M401 HydrophobicContact CD-CE 4.09Å; K391-M401 VanDerWaalsContact CE-CE 3.42Å; K391-M401 HydrophobicContact CG-CB 4.1Å; K391-M401 HydrophobicContact CG-CE 3.87Å; K391-M401 HydrophobicContact CG-CG 3.9Å; K391-M401 HydrophobicContact CG-SD 4.45Å; E398-M401 WeakPolarHBondContact OE1-CB 3.42Å; E398-M401 VanDerWaalsContact OE2-CE 3.32Å; E398-M401 WeakPolarHBondContact OE2-CE 3.26Å
402L90.9Very high89.9Confident65 Ų6557 Ų5734%0.3431%0.312SS..EExtended strand (participates in β ladder)trans-117.5139.2171.3-67.1170.8000109.4F380 C389 L390 F400 S413F380-L402 HydrophobicContact CZ-CD1 4.43Å; C389-L402 CarbonylContact C-O 3.4Å; C389-L402 WeakPolarHBondContact CA-O 3.27Å; L390-L402 PolarHBondContact N-O 3.24Å; L390-L402 PolarHBondContact O-N 3.38Å; F400-L402 HydrophobicContact CD2-CD1 4.06Å; F400-L402 HydrophobicContact CD2-CG 3.72Å; F400-L402 HydrophobicContact CE2-CD1 3.48Å; F400-L402 VanDerWaalsContact CE2-CD1 3.48Å; F400-L402 HydrophobicContact CE2-CG 3.66Å; F400-L402 HydrophobicContact CZ-CD1 4.3Å; L402-S413 WeakPolarHBondContact CD1-O 3.36Å
403C89.8Confident89.6Confident53 Ų5359.3 Ų59.336%0.35833%0.328SS..EExtended strand (participates in β ladder)trans-131.7122.8179.2-72.10000110V388 C389V388-C403 WeakPolarHBondContact O-CA 3.32Å; C389-C403 HydrophobicContact CB-CB 4.16Å; C389-C403 WeakPolarHBondContact CB-SG 3.45Å; C389-C403 WeakPolarHBondContact SG-CB 3.35Å; C389-C403 CovalentContact SG-SG 2.03Å; C389-C403 PolarHBondContact SG-SG 3.4Å
404D87.9Confident89.1Confident57 Ų5759 Ų5931%0.30533%0.328SS..EExtended strand (participates in β ladder)trans-120.4151.3172.3-73.5-43.6000110.4R387 V388 L410 T412R387-D404 WeakPolarHBondContact CA-O 3.31Å; V388-D404 PolarHBondContact N-O 2.88Å; V388-D404 PolarHBondContact O-N 3.43Å; V388-D404 VanDerWaalsContact O-O 3.12Å; D404-L410 HydrophobicContact CB-CD1 3.78Å; D404-L410 HydrophobicContact CB-CD2 4.2Å; D404-T412 VanDerWaalsContact OD2-CB 3.25Å; D404-T412 WeakPolarHBondContact OD2-CB 3.34Å; D404-T412 PolarHBondContact OD2-OG1 2.93Å
405S85.4Confident88.9Confident87 Ų8759.1 Ų59.161%0.60834%0.337SS*.  trans-144.6138.2179.3-167.70000109.8
406S83Confident88.9Confident27 Ų2758.3 Ų58.319%0.18933%0.327CS..  trans-144.4157.9174.7-178.30000108.5S386 S408 L410S386-S406 VanDerWaalsContact CA-O 3.31Å; S386-S406 WeakPolarHBondContact CA-O 3.41Å; S406-S408 PolarHBondContact O-N 3.05Å; S406-S408 PolarHBondContact OG-N 3.43Å; S406-L410 VanDerWaalsContact CB-CD2 3.49Å
407D78.6Confident89Confident111 Ų11156.7 Ų56.759%0.59431%0.312SS*.SBendtrans-80.91.6171.7-60.8-34.9000111.5K193K193-D407 WeakPolarHBondContact CE-OD2 3.48Å; K193-D407 IonicContact NZ-OD2 3.65Å
408S79.9Confident88.9Confident12 Ų1249.9 Ų49.98%0.08428%0.282CS..SBendtrans-150-152.5177.2-161.70000111N189 K385 S406N189-S408 PolarHBondContact ND2-OG 2.76Å; N189-S408 WeakPolarHBondContact O-CB 3.42Å; K385-S408 CarbonylContact C-O 3.48Å; K385-S408 CarbonylContact O-C 3.6Å; S406-S408 PolarHBondContact O-N 3.05Å; S406-S408 PolarHBondContact OG-N 3.43Å
409F82Confident89Confident75 Ų7550.2 Ų50.233%0.32929%0.287SS..  trans-70.1135.6-178.5-68.1-91.1000111.8D188 N189 A384 K385 V437D188-F409 VanDerWaalsContact OD1-O 3.05Å; N189-F409 HydrophobicContact CB-CB 4.18Å; N189-F409 PolarHBondContact N-O 3.11Å; N189-F409 VanDerWaalsContact N-O 3.07Å; A384-F409 WeakPolarHBondContact O-CA 3.34Å; K385-F409 HydrophobicContact CG-CD1 4.31Å; K385-F409 HydrophobicContact CG-CE1 3.82Å; K385-F409 HydrophobicContact CG-CZ 4.26Å; F409-V437 HydrophobicContact CD1-CG2 3.94Å; F409-V437 HydrophobicContact CE1-CG2 3.9Å
410L86.2Confident89.1Confident11 Ų1145.8 Ų45.86%0.05827%0.266CS..EExtended strand (participates in β ladder)trans-138.6161.3172.972.788.3000110.2S383 A384 S386 V388 D404 S406S383-L410 CarbonylContact C-O 3.17Å; S383-L410 WeakPolarHBondContact CA-O 3.34Å; A384-L410 HydrophobicContact CB-CD1 4.25Å; A384-L410 HydrophobicContact CB-CG 4.24Å; A384-L410 PolarHBondContact N-O 3.01Å; A384-L410 PolarHBondContact O-N 3.26Å; S386-L410 WeakPolarHBondContact O-CD2 3.34Å; V388-L410 HydrophobicContact CG1-CD1 3.95Å; D404-L410 HydrophobicContact CB-CD1 3.78Å; D404-L410 HydrophobicContact CB-CD2 4.2Å; S406-L410 VanDerWaalsContact CB-CD2 3.49Å
411V88.1Confident89.3Confident34 Ų3448.2 Ų48.221%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-116.7117.2168.5179.80000107.2F186 C187 H381F186-V411 HydrophobicContact CB-CG2 4.06Å; F186-V411 HydrophobicContact CD1-CG1 4Å; F186-V411 HydrophobicContact CD1-CG2 4.4Å; C187-V411 WeakPolarHBondContact O-CG2 3.46Å; H381-V411 HydrophobicContact CB-CG1 4.26Å
412T89.1Confident89.4Confident0 Ų049.3 Ų49.30%029%0.289CS..EExtended strand (participates in β ladder)trans-93.1139.3172.1-167.70000108.7H381 V382 V388 L390 D404H381-T412 WeakPolarHBondContact CA-O 3.47Å; V382-T412 HydrophobicContact CB-CG2 4.09Å; V382-T412 PolarHBondContact N-O 3.07Å; V382-T412 WeakPolarHBondContact O-CG2 3.31Å; V382-T412 PolarHBondContact O-N 2.81Å; V388-T412 HydrophobicContact CG1-CG2 3.68Å; L390-T412 HydrophobicContact CD1-CG2 3.39Å; L390-T412 HydrophobicContact CG-CG2 4.12Å; D404-T412 VanDerWaalsContact OD2-CB 3.25Å; D404-T412 WeakPolarHBondContact OD2-CB 3.34Å; D404-T412 PolarHBondContact OD2-OG1 2.93Å
413S90.1Very high89.5Confident49 Ų4947.8 Ų47.834%0.34329%0.289SS..EExtended strand (participates in β ladder)trans-139.7142.2-179.760.60000111.2F380 H381 L402F380-S413 WeakPolarHBondContact O-CA 3.18Å; F380-S413 WeakPolarHBondContact O-CB 3.41Å; H381-S413 VanDerWaalsContact ND1-CB 3.34Å; H381-S413 WeakPolarHBondContact ND1-CB 3.02Å; L402-S413 WeakPolarHBondContact CD1-O 3.36Å
414G88.6Confident89.9Confident4 Ų447.1 Ų47.14%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-139.2148.4176.400000110.5S379 F380S379-G414 WeakPolarHBondContact CA-O 3.42Å; F380-G414 PolarHBondContact N-O 2.92Å; F380-G414 PolarHBondContact O-N 3.24Å; F380-G414 VanDerWaalsContact O-N 3.16Å
415S92.8Very high90.3Very high63 Ų6349.6 Ų49.644%0.44129%0.29SS..EExtended strand (participates in β ladder)trans-141.9147.7176.2-44.60000110.6F378 S379F378-S415 CarbonylContact O-C 3.55Å; F378-S415 WeakPolarHBondContact O-CA 3.1Å; F378-S415 WeakPolarHBondContact O-CB 3.48Å; S379-S415 PolarHBondContact OG-OG 3.11Å; S379-S415 VanDerWaalsContact OG-OG 3.06Å
416A92.8Very high90.9Very high12 Ų1245.5 Ų45.510%0.09926%0.261CS..EExtended strand (participates in β ladder)trans-148.6155.3173.600000111.7F378 L392 F400 L418F378-A416 PolarHBondContact N-O 3.04Å; F378-A416 PolarHBondContact O-N 3.04Å; L392-A416 HydrophobicContact CD2-CB 3.84Å; F400-A416 HydrophobicContact CD1-CB 4.26Å; F400-A416 HydrophobicContact CE1-CB 3.67Å; A416-L418 HydrophobicContact CB-CG 4.45Å
417V95.3Very high91.6Very high85 Ų8545.8 Ų45.852%0.51526%0.258SS..EExtended strand (participates in β ladder)trans-104.4126.1167.91790000107.3V375 Y376 F377 I452V375-V417 HydrophobicContact CG1-CG1 3.35Å; Y376-V417 CarbonylContact O-C 3.55Å; Y376-V417 VanDerWaalsContact O-CA 3.26Å; Y376-V417 WeakPolarHBondContact O-CA 3.45Å; F377-V417 HydrophobicContact CD2-CG2 3.97Å; V417-I452 HydrophobicContact CG1-CD1 4.12Å; V417-I452 HydrophobicContact CG2-CD1 4.36Å
418L94.3Very high92.5Very high10 Ų1040.5 Ų40.55%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-130.1134.7-176.1-65.1179.5000110.4V375 Y376 F378 L392 H399 A416 L420 I426V375-L418 WeakPolarHBondContact CA-O 3.35Å; Y376-L418 PolarHBondContact N-O 2.89Å; Y376-L418 PolarHBondContact O-N 2.97Å; F378-L418 HydrophobicContact CD2-CB 4.36Å; F378-L418 HydrophobicContact CD2-CD1 3.89Å; F378-L418 HydrophobicContact CD2-CG 4.25Å; F378-L418 HydrophobicContact CE2-CB 4.18Å; F378-L418 HydrophobicContact CE2-CD1 4.04Å; F378-L418 HydrophobicContact CE2-CG 4.47Å; L392-L418 HydrophobicContact CD2-CD1 4.15Å; H399-L418 VanDerWaalsContact CE1-CD2 3.46Å; H399-L418 WeakPolarHBondContact CE1-CD2 3.15Å; H399-L418 VanDerWaalsContact NE2-CD2 3.33Å; H399-L418 WeakPolarHBondContact NE2-CD2 3.05Å; A416-L418 HydrophobicContact CB-CG 4.45Å; L418-L420 HydrophobicContact CB-CD2 3.9Å; L418-L420 HydrophobicContact CB-CG 4.37Å; L418-I426 HydrophobicContact CD1-CD1 3.93Å
419D95.4Very high93.3Very high89 Ų8940.9 Ų40.948%0.47623%0.23SC..EExtended strand (participates in β ladder)trans-83.7126.5164.7-167.413.3000109.4V375 K394V375-D419 HydrophobicContact CG2-CB 4.4Å; K394-D419 PolarHBondContact NZ-O 3.19Å
420L96.3Very high93.9Very high0 Ų037.3 Ų37.30%022%0.215CC..EExtended strand (participates in β ladder)trans-124.3137-172.2-58.8-170.7000111.8F368 C370 K373 G374 Y376 F378 K394 L418 D424 I426F368-L420 HydrophobicContact CE1-CD1 4.04Å; C370-L420 HydrophobicContact CB-CB 4.2Å; C370-L420 HydrophobicContact CB-CD1 4.17Å; K373-L420 WeakPolarHBondContact CA-O 3.37Å; K373-L420 WeakPolarHBondContact CG-O 3.02Å; G374-L420 PolarHBondContact N-O 2.82Å; G374-L420 PolarHBondContact O-N 3.1Å; Y376-L420 HydrophobicContact CD2-CB 4.03Å; Y376-L420 HydrophobicContact CD2-CD1 3.66Å; Y376-L420 HydrophobicContact CD2-CG 3.89Å; Y376-L420 HydrophobicContact CE2-CB 4.25Å; Y376-L420 HydrophobicContact CE2-CD1 4.15Å; Y376-L420 HydrophobicContact CG-CD1 3.89Å; Y376-L420 HydrophobicContact CG-CG 4.43Å; F378-L420 HydrophobicContact CE2-CD1 3.83Å; F378-L420 HydrophobicContact CZ-CD1 3.67Å; K394-L420 HydrophobicContact CD-CD2 4.05Å; L418-L420 HydrophobicContact CB-CD2 3.9Å; L418-L420 HydrophobicContact CB-CG 4.37Å; L420-D424 WeakPolarHBondContact CA-OD2 3.4Å; L420-D424 HydrophobicContact CB-CB 4.36Å; L420-D424 HydrophobicContact CD2-CB 4.24Å; L420-I426 HydrophobicContact CD1-CD1 4.35Å; L420-I426 HydrophobicContact CD1-CG1 3.86Å; L420-I426 HydrophobicContact CD2-CD1 3.68Å; L420-I426 HydrophobicContact CD2-CG1 4.12Å
421E96Very high94.2Very high94 Ų9437.4 Ų37.444%0.43922%0.216SC..  trans-91157.1167.4-66.2-65.3167.100110.5C370 K373 G423 D424C370-E421 VanDerWaalsContact CB-O 3.26Å; C370-E421 WeakPolarHBondContact CB-O 3.3Å; C370-E421 PolarHBondContact SG-O 2.87Å; K373-E421 VanDerWaalsContact CD-OE2 3.3Å; K373-E421 WeakPolarHBondContact CD-OE2 3.21Å; K373-E421 VanDerWaalsContact CE-OE1 3.22Å; K373-E421 WeakPolarHBondContact CE-OE1 3.46Å; K373-E421 VanDerWaalsContact CE-OE2 3.26Å; K373-E421 WeakPolarHBondContact CE-OE2 3.12Å; K373-E421 WeakPolarHBondContact CG-OE2 3.44Å; K373-E421 IonicContact NZ-OE1 3.81Å; K373-E421 IonicContact NZ-OE2 3.11Å; E421-G423 PolarHBondContact O-N 2.75Å; E421-D424 PolarHBondContact N-OD2 2.89Å; E421-D424 VanDerWaalsContact O-CB 3.3Å; E421-D424 WeakPolarHBondContact O-CB 3.45Å; E421-D424 PolarHBondContact O-N 2.83Å; E421-D424 VanDerWaalsContact O-N 3.08Å
422V94.6Very high94.3Very high98 Ų9842.4 Ų42.459%0.59424%0.235SC*.THydrogen-bonded Turntrans-60.3128.9176.1179.70000109.5K373K373-V422 HydrophobicContact CB-CG2 4.15Å
423G94.1Very high94.4Very high33 Ų3345.9 Ų45.934%0.3425%0.249SC..THydrogen-bonded Turntrans94.4-11.2-177.100000114.9C370 E421 K425C370-G423 PolarHBondContact O-N 3.22Å; E421-G423 PolarHBondContact O-N 2.75Å; G423-K425 PolarHBondContact O-N 3.48Å
424D97Very high94.4Very high38 Ų3845.3 Ų45.320%0.20324%0.242CC..  trans-56.9138.1173.8-84.3-27.6000111.2Q369 C370 K394 L420 E421Q369-D424 WeakPolarHBondContact CA-O 3.34Å; C370-D424 HydrophobicContact CB-CB 4.06Å; C370-D424 WeakPolarHBondContact CB-O 3.22Å; C370-D424 PolarHBondContact N-O 3.29Å; K394-D424 WeakPolarHBondContact CE-OD2 3.43Å; K394-D424 IonicContact NZ-OD2 2.96Å; K394-D424 PolarHBondContact NZ-OD2 2.95Å; L420-D424 WeakPolarHBondContact CA-OD2 3.4Å; L420-D424 HydrophobicContact CB-CB 4.36Å; L420-D424 HydrophobicContact CD2-CB 4.24Å; E421-D424 PolarHBondContact N-OD2 2.89Å; E421-D424 VanDerWaalsContact O-CB 3.3Å; E421-D424 WeakPolarHBondContact O-CB 3.45Å; E421-D424 PolarHBondContact O-N 2.83Å; E421-D424 VanDerWaalsContact O-N 3.08Å
425K97.2Very high94.4Very high110 Ų11048.9 Ų48.948%0.47826%0.26SS..EExtended strand (participates in β ladder)trans-109.5125.9-178.4-67.9-178.1-177.1178.40110.9T367 F368 K394 G395 G423T367-K425 HydrophobicContact CG2-CB 3.81Å; T367-K425 HydrophobicContact CG2-CD 4.36Å; T367-K425 HydrophobicContact CG2-CG 4.19Å; F368-K425 CarbonylContact O-C 3.5Å; F368-K425 VanDerWaalsContact O-CA 3.29Å; F368-K425 WeakPolarHBondContact O-CA 3.35Å; K394-K425 CarbonylContact C-O 3.6Å; K394-K425 WeakPolarHBondContact CA-O 3.48Å; G395-K425 PolarHBondContact N-O 3.15Å; G423-K425 PolarHBondContact O-N 3.48Å
426I98.1Very high94.3Very high0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-119.6129.3178.5-50-61.4000110.1F368 F378 L392 M393 K394 L418 L420 F447F368-I426 HydrophobicContact CB-CB 4.36Å; F368-I426 HydrophobicContact CD1-CB 4.2Å; F368-I426 HydrophobicContact CD1-CG1 4.17Å; F368-I426 PolarHBondContact N-O 3.31Å; F368-I426 PolarHBondContact O-N 3.38Å; F378-I426 HydrophobicContact CD1-CG2 4.06Å; F378-I426 HydrophobicContact CD2-CG2 4.35Å; F378-I426 HydrophobicContact CE1-CB 4.13Å; F378-I426 HydrophobicContact CE1-CG1 4.29Å; F378-I426 HydrophobicContact CE1-CG2 3.96Å; F378-I426 HydrophobicContact CE2-CG1 4.07Å; F378-I426 HydrophobicContact CE2-CG2 4.27Å; F378-I426 HydrophobicContact CG-CG2 4.25Å; F378-I426 HydrophobicContact CZ-CB 4.1Å; F378-I426 HydrophobicContact CZ-CG1 3.75Å; F378-I426 HydrophobicContact CZ-CG2 4.1Å; L392-I426 HydrophobicContact CD1-CG2 3.95Å; L392-I426 HydrophobicContact CG-CG2 4.49Å; M393-I426 WeakPolarHBondContact O-CA 3.46Å; K394-I426 HydrophobicContact CB-CD1 3.74Å; K394-I426 HydrophobicContact CD-CD1 4.36Å; K394-I426 HydrophobicContact CG-CD1 3.71Å; L418-I426 HydrophobicContact CD1-CD1 3.93Å; L420-I426 HydrophobicContact CD1-CD1 4.35Å; L420-I426 HydrophobicContact CD1-CG1 3.86Å; L420-I426 HydrophobicContact CD2-CD1 3.68Å; L420-I426 HydrophobicContact CD2-CG1 4.12Å; I426-F447 HydrophobicContact CG2-CZ 4.12Å
427Y97.7Very high93.9Very high34 Ų3446.1 Ų46.113%0.13324%0.239CC..EExtended strand (participates in β ladder)trans-152.316117759.4-86.6000111.3P343 T367 M393 G395 E429P343-Y427 HydrophobicContact CB-CD2 3.77Å; P343-Y427 HydrophobicContact CB-CE2 4.33Å; P343-Y427 HydrophobicContact CB-CG 4.33Å; P343-Y427 HydrophobicContact CG-CD2 3.74Å; P343-Y427 HydrophobicContact CG-CE2 3.8Å; P343-Y427 HydrophobicContact CG-CG 4.43Å; T367-Y427 HydrophobicContact CG2-CD1 4.07Å; M393-Y427 HydrophobicContact CB-CD1 4.09Å; M393-Y427 HydrophobicContact CB-CD2 3.91Å; M393-Y427 HydrophobicContact CB-CE1 3.75Å; M393-Y427 HydrophobicContact CB-CE2 3.56Å; M393-Y427 HydrophobicContact CB-CG 4.17Å; M393-Y427 VanDerWaalsContact CB-CZ 3.47Å; M393-Y427 HydrophobicContact CG-CD2 3.98Å; M393-Y427 HydrophobicContact CG-CE2 3.47Å; M393-Y427 VanDerWaalsContact CG-CE2 3.47Å; M393-Y427 PolarHBondContact N-O 2.83Å; M393-Y427 PolarHBondContact O-N 3.2Å; G395-Y427 VanDerWaalsContact O-CE1 3.32Å; G395-Y427 WeakPolarHBondContact O-CE1 3.39Å; G395-Y427 PolarHBondContact O-OH 2.83Å; G395-Y427 VanDerWaalsContact O-OH 3.09Å; Y427-E429 HydrophobicContact CD2-CB 4.29Å; Y427-E429 HydrophobicContact CE2-CB 4.08Å
428V97.6Very high93.2Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-98.2127.6172.7-175.10000108.4P343 I344 F346 F380 L390 K391 L392 F447P343-V428 WeakPolarHBondContact CA-O 3.49Å; I344-V428 HydrophobicContact CD1-CG1 4.1Å; I344-V428 PolarHBondContact N-O 3.28Å; F346-V428 HydrophobicContact CE2-CB 4.18Å; F346-V428 HydrophobicContact CE2-CG2 4.32Å; F380-V428 HydrophobicContact CB-CG2 4.04Å; F380-V428 HydrophobicContact CD1-CG1 4.4Å; F380-V428 HydrophobicContact CD1-CG2 3.66Å; F380-V428 HydrophobicContact CE1-CG2 4.32Å; F380-V428 HydrophobicContact CG-CG1 4.42Å; F380-V428 HydrophobicContact CG-CG2 3.96Å; L390-V428 HydrophobicContact CB-CG1 4.2Å; K391-V428 CarbonylContact O-C 3.55Å; K391-V428 WeakPolarHBondContact O-CA 3.16Å; L392-V428 HydrophobicContact CD1-CG2 4.21Å; V428-F447 HydrophobicContact CG2-CD1 4.36Å; V428-F447 HydrophobicContact CG2-CD2 3.9Å; V428-F447 HydrophobicContact CG2-CE1 4.41Å; V428-F447 HydrophobicContact CG2-CE2 3.94Å; V428-F447 HydrophobicContact CG2-CG 4.13Å; V428-F447 HydrophobicContact CG2-CZ 4.21Å
429E96.1Very high92Very high19 Ų1946.4 Ų46.49%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-110.8140.4179.9-174.2-173.3107.200110.4K391 M393 Y427K391-E429 HydrophobicContact CB-CB 4.3Å; K391-E429 WeakPolarHBondContact CD-OE1 3.44Å; K391-E429 PolarHBondContact N-O 3.33Å; K391-E429 IonicContact NZ-OE1 3.78Å; K391-E429 PolarHBondContact NZ-OE1 3.11Å; K391-E429 PolarHBondContact O-N 2.91Å; M393-E429 HydrophobicContact CG-CB 3.76Å; M393-E429 HydrophobicContact SD-CB 4.49Å; Y427-E429 HydrophobicContact CD2-CB 4.29Å; Y427-E429 HydrophobicContact CE2-CB 4.08Å
430S93.8Very high90.3Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-82.3145.9172.289.80000111E339 N341 M342E339-S430 PolarHBondContact O-OG 2.74Å; N341-S430 WeakPolarHBondContact CA-O 3.5Å; N341-S430 PolarHBondContact N-O 2.83Å; M342-S430 PolarHBondContact O-N 3.37Å
431S92.8Very high88.6Confident13 Ų1353.4 Ų53.49%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-95.4-173.3173.1-175.50000111.4C389 Y433 N434C389-S431 WeakPolarHBondContact O-CB 3.32Å; C389-S431 PolarHBondContact O-N 3.16Å; S431-Y433 PolarHBondContact O-N 3.3Å; S431-N434 WeakPolarHBondContact O-CB 3.42Å
432K91.3Very high87Confident140 Ų14051.6 Ų51.661%0.60928%0.281SS*.EExtended strand (participates in β ladder)trans-56.9-19.3170.769.6-178.8-178.9-178.20114.2T340T340-K432 HydrophobicContact CG2-CB 4.29Å
433Y89.8Confident86.3Confident73 Ų7347.3 Ų47.329%0.28625%0.254SS..EExtended strand (participates in β ladder)trans-103.294.5171.5-55.8-67000108.9R387 V388 C389 S431R387-Y433 HydrophobicContact CG-CD1 4.27Å; R387-Y433 HydrophobicContact CG-CG 4.11Å; R387-Y433 VanDerWaalsContact CZ-CE2 3.46Å; V388-Y433 CarbonylContact C-O 3.59Å; V388-Y433 WeakPolarHBondContact CA-O 3.34Å; C389-Y433 HydrophobicContact CB-CD2 4.46Å; C389-Y433 PolarHBondContact N-O 2.04Å; S431-Y433 PolarHBondContact O-N 3.3Å
434N89.9Confident85.9Confident36 Ų3646.8 Ų46.819%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-131.143.3-171.563.6-11.3000113.2V338 T340 S431 I436V338-N434 PolarHBondContact O-ND2 3.05Å; T340-N434 PolarHBondContact OG1-ND2 3.46Å; S431-N434 WeakPolarHBondContact O-CB 3.42Å; N434-I436 PolarHBondContact O-N 3.38Å
435N89.7Confident85.7Confident79 Ų7945.4 Ų45.442%0.42224%0.238SC..EExtended strand (participates in β ladder)trans-71.947.2177.4-66.5-65.5000113.7A384 K385 S386 R387A384-N435 CarbonylContact C-O 3.36Å; A384-N435 VanDerWaalsContact CA-O 3.26Å; A384-N435 WeakPolarHBondContact CA-O 3.35Å; A384-N435 WeakPolarHBondContact CB-O 3.34Å; K385-N435 PolarHBondContact N-O 3.19Å; S386-N435 VanDerWaalsContact OG-CB 3.25Å; S386-N435 WeakPolarHBondContact OG-CB 3.06Å; S386-N435 PolarHBondContact OG-ND2 3.16Å; R387-N435 PolarHBondContact O-ND2 3.39Å
436I89.9Confident85.4Confident14 Ų1440.5 Ų40.57%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-69.6138.5-179-61.6170.3000109.2V338 I344 V382 V388 L390 N434 V438V338-I436 HydrophobicContact CB-CD1 4.15Å; V338-I436 HydrophobicContact CG1-CD1 4.19Å; V338-I436 HydrophobicContact CG2-CD1 4.03Å; I344-I436 HydrophobicContact CD1-CD1 3.74Å; V382-I436 HydrophobicContact CG1-CB 4.47Å; V382-I436 HydrophobicContact CG1-CD1 4.17Å; V382-I436 HydrophobicContact CG1-CG1 3.93Å; V382-I436 HydrophobicContact CG1-CG2 3.83Å; V388-I436 HydrophobicContact CG2-CG1 3.92Å; L390-I436 HydrophobicContact CD2-CD1 4.22Å; N434-I436 PolarHBondContact O-N 3.38Å; I436-V438 WeakPolarHBondContact O-CG2 3.37Å; I436-V438 PolarHBondContact O-N 3.43Å
437V85.6Confident85.3Confident4 Ų440.5 Ų40.52%0.02422%0.218CC..  trans-70124.8177.3178.10000109.8S383 K385 F409 T443 H445S383-V437 PolarHBondContact O-N 3.42Å; K385-V437 HydrophobicContact CG-CG2 3.85Å; F409-V437 HydrophobicContact CD1-CG2 3.94Å; F409-V437 HydrophobicContact CE1-CG2 3.9Å; V437-T443 HydrophobicContact CB-CG2 4.11Å; V437-T443 HydrophobicContact CG1-CG2 3.89Å; V437-T443 HydrophobicContact CG2-CG2 4.37Å; V437-H445 PolarHBondContact O-CE1 2.95Å; V437-H445 VanDerWaalsContact O-CE1 3.24Å; V437-H445 PolarHBondContact O-NE2 2.77Å
438V80.9Confident85.1Confident43 Ų4339.8 Ų39.826%0.26122%0.217SC..  trans-97.7-18.9-176.2-172.60000112.9S335 I436S335-V438 VanDerWaalsContact CA-CG1 3.41Å; S335-V438 WeakPolarHBondContact CB-O 3.36Å; S335-V438 WeakPolarHBondContact O-CG1 3.34Å; I436-V438 WeakPolarHBondContact O-CG2 3.37Å; I436-V438 PolarHBondContact O-N 3.43Å
439S67.8Low85Confident58 Ų5839.9 Ų39.941%0.40622%0.217SC..  trans-77.3129179.2-176.20000112T441S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 3.06Å; S439-T441 VanDerWaalsContact OG-OG1 3.1Å
440Q60.3Low84.8Confident101 Ų10141.8 Ų41.847%0.47223%0.225SC..THydrogen-bonded Turntrans-80.6-11.2-178.6-60.4-178.230.900114A333A333-Q440 PolarHBondContact O-NE2 2.78Å
441T59.5Low84.7Confident135 Ų13543 Ų4383%0.82823%0.232SC*.THydrogen-bonded Turntrans-83.4-14.4-169.555.80000114.3S439S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 3.06Å; S439-T441 VanDerWaalsContact OG-OG1 3.1Å
442S63.9Low84.4Confident56 Ų5646.3 Ų46.339%0.39225%0.248SC..THydrogen-bonded Turntrans-117.9-28.9-173.459.20000114.9C187C187-S442 PolarHBondContact SG-O 2.75Å; C187-S442 VanDerWaalsContact SG-O 3.33Å
443T79.4Confident84.2Confident7 Ų744.8 Ų44.84%0.04324%0.241CC..  trans-160.1154.5-175.5-170.90000112.5S185 S383 V437S185-T443 CarbonylContact O-C 3.56Å; S185-T443 VanDerWaalsContact O-CA 3.29Å; S185-T443 WeakPolarHBondContact O-CA 3.37Å; S185-T443 PolarHBondContact O-OG1 3.34Å; S185-T443 VanDerWaalsContact O-OG1 3.09Å; S383-T443 WeakPolarHBondContact CB-OG1 3.49Å; S383-T443 PolarHBondContact OG-OG1 2.97Å; V437-T443 HydrophobicContact CB-CG2 4.11Å; V437-T443 HydrophobicContact CG1-CG2 3.89Å; V437-T443 HydrophobicContact CG2-CG2 4.37Å
444S86.2Confident84.1Confident22 Ų2245 Ų4515%0.15425%0.252CS..  trans-103.7156.2-178-56.40000111.5S185 F186 S383S185-S444 PolarHBondContact N-OG 3.28Å; S185-S444 VanDerWaalsContact N-OG 3.1Å; S185-S444 PolarHBondContact O-N 2.93Å; F186-S444 WeakPolarHBondContact CD1-O 3.2Å; F186-S444 WeakPolarHBondContact CE1-O 3.05Å; S383-S444 PolarHBondContact OG-O 2.91Å
445H91.6Very high83.8Confident10 Ų1045.1 Ų45.15%0.04625%0.254CS..  trans-120135.2165-45.1-81.7000107.7K331 R332 F346 H381 S383 V437K331-H445 CarbonylContact C-O 3.48Å; K331-H445 WeakPolarHBondContact CA-O 3.47Å; K331-H445 VanDerWaalsContact CB-O 3.27Å; K331-H445 WeakPolarHBondContact CB-O 3.32Å; R332-H445 HydrophobicContact CB-CB 4.04Å; R332-H445 PolarHBondContact N-O 3.27Å; R332-H445 VanDerWaalsContact N-O 3.07Å; F346-H445 HydrophobicContact CE1-CB 3.98Å; H381-H445 CarbonylContact O-C 3.57Å; H381-H445 VanDerWaalsContact O-CA 3.27Å; H381-H445 WeakPolarHBondContact O-CA 3.49Å; S383-H445 PolarHBondContact N-CE1 2.94Å; S383-H445 PolarHBondContact N-ND1 3.15Å; S383-H445 PolarHBondContact O-CE1 2.96Å; V437-H445 PolarHBondContact O-CE1 2.95Å; V437-H445 VanDerWaalsContact O-CE1 3.24Å; V437-H445 PolarHBondContact O-NE2 2.77Å
446S91.9Very high82.8Confident7 Ų747.5 Ų47.55%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-133.5148.2-179.161.50000112.5N330 F380 H381N330-S446 CarbonylContact O-C 3.57Å; N330-S446 VanDerWaalsContact O-CA 3.26Å; N330-S446 WeakPolarHBondContact O-CA 3.38Å; F380-S446 CarbonylContact C-O 3.51Å; F380-S446 VanDerWaalsContact CA-O 3.22Å; F380-S446 WeakPolarHBondContact CA-O 3.5Å; H381-S446 PolarHBondContact N-O 2.96Å; H381-S446 PolarHBondContact O-N 3.41Å
447F95.3Very high82.4Confident0 Ų049.2 Ų49.20%029%0.287CS..EExtended strand (participates in β ladder)trans-134.2125.8168.5-179.2-142.3000108.6F328 N330 F346 L363 F378 F380 L392 I426 V428F328-F447 HydrophobicContact CE2-CB 4.49Å; F328-F447 AromaticContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD2 4.32Å; F328-F447 AromaticContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE2 4.47Å; F328-F447 AromaticContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CZ 4.18Å; F328-F447 WeakPolarHBondContact CE2-O 3.14Å; F328-F447 AromaticContact CZ-CD1 3.9Å; F328-F447 HydrophobicContact CZ-CD1 3.9Å; F328-F447 AromaticContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE2 4.21Å; F328-F447 HydrophobicContact CZ-CG 4.36Å; F328-F447 AromaticContact CZ-CZ 3.71Å; F328-F447 HydrophobicContact CZ-CZ 3.71Å; N330-F447 PolarHBondContact N-O 2.86Å; N330-F447 PolarHBondContact O-N 3.06Å; F346-F447 HydrophobicContact CB-CB 4.46Å; F346-F447 HydrophobicContact CD1-CB 3.89Å; F346-F447 HydrophobicContact CD2-CB 3.53Å; F346-F447 HydrophobicContact CD2-CD1 4.05Å; F346-F447 HydrophobicContact CD2-CG 4.19Å; F346-F447 HydrophobicContact CE1-CB 3.93Å; F346-F447 HydrophobicContact CE2-CB 3.58Å; F346-F447 HydrophobicContact CE2-CD1 4.28Å; F346-F447 HydrophobicContact CE2-CG 4.16Å; F346-F447 HydrophobicContact CG-CB 3.7Å; F346-F447 HydrophobicContact CZ-CB 3.78Å; L363-F447 HydrophobicContact CD1-CD1 4.04Å; F378-F447 HydrophobicContact CB-CE2 4.23Å; F378-F447 HydrophobicContact CD1-CE2 4.04Å; F378-F447 AromaticContact CD1-CZ 3.9Å; F378-F447 HydrophobicContact CD1-CZ 3.9Å; F380-F447 HydrophobicContact CB-CB 4.49Å; F380-F447 HydrophobicContact CB-CD2 3.93Å; L392-F447 HydrophobicContact CD1-CE2 4.28Å; L392-F447 HydrophobicContact CD1-CZ 4.35Å; I426-F447 HydrophobicContact CG2-CZ 4.12Å; V428-F447 HydrophobicContact CG2-CD1 4.36Å; V428-F447 HydrophobicContact CG2-CD2 3.9Å; V428-F447 HydrophobicContact CG2-CE1 4.41Å; V428-F447 HydrophobicContact CG2-CE2 3.94Å; V428-F447 HydrophobicContact CG2-CG 4.13Å; V428-F447 HydrophobicContact CG2-CZ 4.21Å
448T93.8Very high82.3Confident19 Ų1951.6 Ų51.612%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-128.9140-173.7-52.30000108.7Y161 F328 S329 F378 S379Y161-T448 HydrophobicContact CD2-CG2 4.42Å; Y161-T448 HydrophobicContact CE2-CG2 4.35Å; F328-T448 WeakPolarHBondContact O-CA 3.36Å; F328-T448 WeakPolarHBondContact O-CG2 3.24Å; S329-T448 PolarHBondContact OG-OG1 3.11Å; F378-T448 CarbonylContact C-O 3.51Å; F378-T448 WeakPolarHBondContact CA-O 3.27Å; S379-T448 PolarHBondContact N-O 3.45Å; S379-T448 PolarHBondContact O-N 2.99Å
449G94.6Very high82.4Confident1 Ų152.1 Ų52.11%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-145.9144.817200000110.7F327 F328 F377F327-G449 CarbonylContact C-O 3.52Å; F327-G449 WeakPolarHBondContact CA-O 3.47Å; F328-G449 PolarHBondContact N-O 2.89Å; F328-G449 PolarHBondContact O-N 3.22Å; F377-G449 CarbonylContact O-C 3.43Å; F377-G449 WeakPolarHBondContact O-CA 3.36Å
450F92.4Very high83.2Confident59 Ų5951.7 Ų51.726%0.25930%0.297SS..EExtended strand (participates in β ladder)trans-151.1146.717458.3-94.5000112Y161 S326 F327 Y376 F377 I452Y161-F450 HydrophobicContact CD1-CE1 4.29Å; Y161-F450 HydrophobicContact CD1-CZ 4.44Å; Y161-F450 AromaticContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CE2-CE1 4.38Å; Y161-F450 AromaticContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CZ 4.36Å; S326-F450 WeakPolarHBondContact O-CA 3.32Å; F327-F450 HydrophobicContact CB-CB 3.65Å; Y376-F450 WeakPolarHBondContact CA-O 3.44Å; F377-F450 HydrophobicContact CB-CD2 4.35Å; F377-F450 HydrophobicContact CB-CE1 4.18Å; F377-F450 HydrophobicContact CB-CE2 3.86Å; F377-F450 HydrophobicContact CB-CZ 3.76Å; F377-F450 HydrophobicContact CD1-CD1 4.26Å; F377-F450 AromaticContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE1 3.41Å; F377-F450 VanDerWaalsContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE2 4.45Å; F377-F450 AromaticContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CE1-CE1 4.18Å; F377-F450 HydrophobicContact CE1-CZ 4.37Å; F377-F450 HydrophobicContact CG-CE1 4.18Å; F377-F450 HydrophobicContact CG-CE2 4.46Å; F377-F450 AromaticContact CG-CZ 3.89Å; F377-F450 HydrophobicContact CG-CZ 3.89Å; F377-F450 PolarHBondContact N-O 2.93Å; F377-F450 PolarHBondContact O-N 2.65Å; F450-I452 HydrophobicContact CE2-CG1 4.36Å; F450-I452 PolarHBondContact O-N 2.63Å
451L91.3Very high84.6Confident26 Ų2648.6 Ų48.614%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-67.8125.3172.4179.768.4000109.6S326 I372 Y376 F453 P454S326-L451 WeakPolarHBondContact O-CB 3.47Å; S326-L451 PolarHBondContact O-N 2.83Å; I372-L451 HydrophobicContact CG2-CD2 3.73Å; Y376-L451 HydrophobicContact CD1-CB 4.18Å; Y376-L451 HydrophobicContact CD2-CD1 3.93Å; Y376-L451 HydrophobicContact CE1-CB 3.77Å; Y376-L451 HydrophobicContact CE1-CD1 4.32Å; Y376-L451 HydrophobicContact CE2-CB 4.49Å; Y376-L451 HydrophobicContact CE2-CD1 3.51Å; Y376-L451 HydrophobicContact CG-CD1 4.49Å; L451-F453 WeakPolarHBondContact CD1-O 3.36Å; L451-P454 HydrophobicContact CD2-CB 4.28Å
452I88.3Confident86.3Confident82 Ų8242.9 Ų42.942%0.42125%0.25SC..EExtended strand (participates in β ladder)trans-84.7-53.4174-46.8-179.5000109.2V375 F377 V417 F450V375-I452 HydrophobicContact CG1-CD1 4.2Å; V375-I452 WeakPolarHBondContact O-CB 3.29Å; V375-I452 PolarHBondContact O-N 2.7Å; F377-I452 HydrophobicContact CB-CD1 3.93Å; F377-I452 HydrophobicContact CB-CG1 4.04Å; V417-I452 HydrophobicContact CG1-CD1 4.12Å; V417-I452 HydrophobicContact CG2-CD1 4.36Å; F450-I452 HydrophobicContact CE2-CG1 4.36Å; F450-I452 PolarHBondContact O-N 2.63Å
453F86.6Confident87.9Confident108 Ų10841.9 Ų41.947%0.47424%0.24SC..EExtended strand (participates in β ladder)trans-149.6135.3174.645.6-92.5000110.6G374 V375 L451 T455G374-F453 WeakPolarHBondContact CA-O 3.22Å; V375-F453 HydrophobicContact CB-CD2 3.98Å; V375-F453 HydrophobicContact CB-CE1 4.12Å; V375-F453 HydrophobicContact CB-CE2 3.52Å; V375-F453 HydrophobicContact CB-CG 4.48Å; V375-F453 HydrophobicContact CB-CZ 3.58Å; V375-F453 HydrophobicContact CG1-CE1 4.23Å; V375-F453 HydrophobicContact CG1-CE2 4.29Å; V375-F453 HydrophobicContact CG1-CZ 3.84Å; V375-F453 HydrophobicContact CG2-CD2 3.97Å; V375-F453 HydrophobicContact CG2-CE2 3.22Å; V375-F453 HydrophobicContact CG2-CZ 3.58Å; V375-F453 PolarHBondContact N-O 3.06Å; V375-F453 PolarHBondContact O-N 3.31Å; L451-F453 WeakPolarHBondContact CD1-O 3.36Å; F453-T455 HydrophobicContact CD2-CG2 4.29Å; F453-T455 HydrophobicContact CE2-CG2 4.45Å
454P87.4Confident88.6Confident78 Ų7844.6 Ų44.651%0.50626%0.255SS..EExtended strand (participates in β ladder)trans-67.8147.7173.729.1-33.2000110.6I372 K373 L451I372-P454 HydrophobicContact CG2-CB 4.37Å; K373-P454 WeakPolarHBondContact O-CA 3.35Å; L451-P454 HydrophobicContact CD2-CB 4.28Å
455T82.8Confident88.8Confident39 Ų3946.5 Ų46.524%0.23926%0.263CS..  trans-117.914217356.20000109.1K373 G374 V375 F453K373-T455 WeakPolarHBondContact CG-OG1 3.03Å; K373-T455 PolarHBondContact O-N 3.25Å; K373-T455 VanDerWaalsContact O-N 3.07Å; G374-T455 VanDerWaalsContact CA-OG1 3.28Å; G374-T455 WeakPolarHBondContact CA-OG1 3.35Å; G374-T455 PolarHBondContact N-OG1 3.32Å; V375-T455 HydrophobicContact CG2-CG2 4.3Å; F453-T455 HydrophobicContact CD2-CG2 4.29Å; F453-T455 HydrophobicContact CE2-CG2 4.45Å
456S69.5Low88.5Confident129 Ų12949.8 Ų49.890%0.90228%0.283SS*.  trans-80.80-177.150.10000113.9M29 K373M29-S456 PolarHBondContact SD-OG 3.07Å; K373-S456 PolarHBondContact NZ-O 3.37Å

Retrieved 456 of 456 residues in 138.6 ms (Link to these results)