A0A087XLP4_POEFO Loading...

Zinc finger CCHC-type containing 24

AlphaFold DB (A0A3B3VSR4), UniProt , Accession A0A087XLP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low39.2Very low249 Ų249158.8 Ų158.8100%1.22788%0.881SS**  0114.60-69.8179.2-174.300107.3
2M36.6Very low39.9Very low185 Ų185155 Ų15591%0.91187%0.869SS**  trans-62.2146.1168.6-69.7170.314900108.8
3S39.3Very low40.6Very low119 Ų119150 Ų15083%0.83286%0.859SS**  166.5155.692.3-51.10000105.8
4A40.4Very low41.5Very low100 Ų100152.7 Ų152.783%0.82686%0.861SS**  cis-158.3156.7-4.600000107.2
5I46.3Very low42.1Very low159 Ų159153.8 Ų153.882%0.81586%0.862SS**  trans-75.8143.5174.2-62.6153.2000108.7
6E34.8Very low42.6Very low194 Ų194153.3 Ų153.391%0.90786%0.856SS**  trans-157.2123.6141.1-123.5165.8-174.900113.7
7A42.4Very low43.3Very low93 Ų93149 Ų14977%0.76984%0.839SS**  trans-82128.517300000109.2
8G34.6Very low43.6Very low81 Ų81153.7 Ų153.784%0.83584%0.841SS**  trans-108.8109.4174.700000110.8
9L34.4Very low44.3Very low166 Ų166151.6 Ų151.687%0.86983%0.834SS**  trans-61.4134.8179.4-72.3147.9000112.3
10Y40.1Very low44.8Very low228 Ų228152.9 Ų152.989%0.89483%0.827SS**  trans-78118.8167.7-164-99.5000108.7
11Q42Very low44.9Very low173 Ų173153.4 Ų153.481%0.80883%0.826SS**  trans-130.4139.9172.5-128.6174.4-13.200110.3
12P47.5Very low45.3Very low113 Ų113146.6 Ų146.673%0.73480%0.802SS**  trans-99.3120.6-159.835.2-25.3000111.6
13A49Very low46Very low90 Ų90145.4 Ų145.474%0.74480%0.799SS**  trans-148.332.9177.100000114.7
14Q52.6Low46.6Very low188 Ų188146.8 Ų146.888%0.87979%0.792SS**  trans-94.114.1-178.7-72.3-91.7-3400114.4
15L50.4Low46.4Very low169 Ų169150.1 Ų150.189%0.88580%0.796SS**SBendtrans-103.515.6-178.9-80.8172.7000115.3
16L50.5Low46.2Very low145 Ų145147.1 Ų147.176%0.75980%0.795SS**SBendtrans-114.813.1177.1-72.9170.6000114.2
17S54.6Low46.3Very low81 Ų81144.1 Ų144.157%0.56679%0.792SS**SBendtrans-81.2-21.6179.7-173.60000114.2
18W49Very low45.8Very low233 Ų233143.3 Ų143.388%0.88379%0.793SS**SBendtrans-90.6-13.9-172.6-67.6-8.7000114.7
19V57Low45.9Very low115 Ų115145.2 Ų145.270%0.69779%0.794SS**SBendtrans-84.2-22.5178-179.50000111.9
20Y53.5Low45.8Very low177 Ų177141.9 Ų141.969%0.69479%0.79SS**THydrogen-bonded Turntrans-90.6-7.5-169.6-167.1-106.1000115.6
21M47.7Very low45.5Very low164 Ų164139.2 Ų139.281%0.80878%0.783SS**THydrogen-bonded Turntrans-1010.8-178.6-82.9-161.671.900115.5
22S48.1Very low45Very low105 Ų105138.3 Ų138.373%0.73478%0.784SS**SBendtrans-96.29.8-177.9-60.30000114.9
23L51.1Low44.1Very low161 Ų161136.5 Ų136.584%0.84379%0.786SS**SBendtrans-122.418.9-174.6-75.4172.4000115.3
24Q52Low43.1Very low147 Ų147138.9 Ų138.969%0.68779%0.791SS**  trans-12630.6-175.6-85.7176.314.400116.6
25D37.8Very low41.9Very low171 Ų171138.6 Ų138.691%0.91479%0.787SS**  trans-126.979.9161.9-83.1-46.1000111.7
26A41.2Very low40.9Very low96 Ų96135.7 Ų135.779%0.79378%0.776SS**  trans-152.6109.2154.400000109.6
27P36.6Very low39.7Very low130 Ų130136.7 Ų136.784%0.84478%0.777SS**  trans-99.1120.315827.3-17.1000110.1
28G33.4Very low38.5Very low76 Ų76137.7 Ų137.778%0.78478%0.784SS**  trans-79.6150.1173.800000114
29S36.5Very low37.5Very low122 Ų122133.8 Ų133.885%0.85378%0.78SS**  trans7.3124.4147.6-176.10000120.1
30A31.4Very low36.2Very low96 Ų96133.1 Ų133.179%0.79378%0.78SS**  trans-142.7144.2145.500000110.1
31F34Very low35Very low171 Ų171129.6 Ų129.675%0.7578%0.782SS**  trans-92.3146.4-166.256.2-83000112.4
32D32Very low34.2Very low154 Ų154127.8 Ų127.882%0.82478%0.78SS**  165.3145.8116.5-115.4-22.4000112.3
33G28.1Very low33.6Very low75 Ų75134.2 Ų134.277%0.77379%0.788SS**  trans12687.4154.400000119.4
34V28Very low32.6Very low140 Ų140133.4 Ų133.485%0.84879%0.785SS**  trans-50.8137.4172.6-173.30000115.9
35K27.5Very low31.8Very low183 Ų183129.7 Ų129.780%0.79679%0.786SS**  155.8110.1109.7-158.6170.8178.7179.90116.2
36V28.4Very low32Very low108 Ų108126.7 Ų126.766%0.65577%0.774SS**  trans40.2122.8132.8-159.20000121.5
37E26.3Very low32Very low166 Ų166131.4 Ų131.478%0.77678%0.78SS**  166.2121.6112.8-74.7-92106.700111
38S28.7Very low32.1Very low101 Ų101136.5 Ų136.571%0.70678%0.782SS**  trans51137.4136.4-30.90000121.2
39D28.4Very low32.5Very low151 Ų151139.6 Ų139.681%0.80778%0.779SS**  cis-169.9150.814.8-145.3-9.5000111.7
40S29.1Very low32.7Very low101 Ų101138 Ų13871%0.70677%0.773SS**  trans71.8126152.282.70000126.3
41S29.9Very low33.3Very low103 Ų103137.1 Ų137.172%0.7277%0.766SS**  trans102.899.4134.475.10000123.5
42T30.6Very low33.8Very low127 Ų127134.2 Ų134.278%0.77976%0.758SS**  trans59.7114.2132.138.90000125.2
43R34.7Very low34.5Very low240 Ų240133.1 Ų133.191%0.90675%0.752SS**  53140.5127-67.8-176.9150.8-174.9-7.8119.9
44D29.6Very low35.7Very low143 Ų143132.9 Ų132.977%0.76574%0.738SS**  cis-162.215423.6-171.421.7000110.4
45G35.4Very low36.8Very low69 Ų69129.6 Ų129.671%0.71172%0.722SS**  trans-128122.8179.500000111.4
46T42.3Very low38.3Very low108 Ų108125.4 Ų125.466%0.66371%0.708SS**  trans-147.188.8174-48.10000110.6
47E40.4Very low39.5Very low196 Ų196128.8 Ų128.892%0.91671%0.71SS**SBendtrans-161.926.7166.8-119.2171.3-147.600116.3
48R40.3Very low40.8Very low236 Ų236125.6 Ų125.689%0.89170%0.698SS**SBendtrans-127.811.9178.1-66.9-168.8-177.8-157.11.7116.5
49I41.2Very low42.1Very low142 Ų142124 Ų12473%0.72869%0.687SS**SBendtrans-103-8.9-170.7-57.1178.3000113.7
50A41.4Very low43.4Very low88 Ų88121.4 Ų121.473%0.72767%0.673SS**Hα-helixtrans-83.9-27.5-170.600000115.9
51A43.3Very low45Very low77 Ų77122.1 Ų122.164%0.63666%0.663SS**Hα-helixtrans-78.6-35.9-175.800000112.9L53 S54A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; A51-S54 PolarHBondContact O-N 3.11Å
52D43.6Very low46.2Very low111 Ų111123.8 Ų123.859%0.59466%0.658SS**Hα-helixtrans-73.7-24.4-177.8-66.2-31.3000112.7N56D52-N56 PolarHBondContact O-ND2 3.08Å
53L48.4Very low47.2Very low131 Ų131123.4 Ų123.469%0.68665%0.647SS**Hα-helixtrans-72.6-31177.9-162.265.5000112.2A51 Y57A51-L53 VanDerWaalsContact C-N 3.32Å; A51-L53 PolarHBondContact O-N 3.43Å; L53-Y57 PolarHBondContact O-N 2.88Å
54S52.5Low48.2Very low70 Ų70117.6 Ų117.649%0.4963%0.633SS.*Hα-helixtrans-75.7-39.1-177.8-174.40000112.9A51 Y57 L58A51-S54 PolarHBondContact O-N 3.11Å; S54-Y57 PolarHBondContact O-N 3.48Å; S54-L58 PolarHBondContact O-N 2.84Å; S54-L58 VanDerWaalsContact O-N 3.14Å
55S51.1Low49.3Very low71 Ų71114.2 Ų114.250%0.49762%0.615SS.*Hα-helixtrans-68-38.8179.2-172.30000112.6S59S55-S59 WeakPolarHBondContact O-CB 3.3Å; S55-S59 PolarHBondContact O-N 3.17Å; S55-S59 PolarHBondContact O-OG 3.31Å
56N58.1Low50.2Low94 Ų94114.7 Ų114.750%0.50361%0.605SS.*Hα-helixtrans-68.4-35.8175.3-74.9-54.7000111.7D52 N60D52-N56 PolarHBondContact O-ND2 3.08Å; N56-N60 WeakPolarHBondContact O-CB 3.35Å; N56-N60 PolarHBondContact O-N 3.05Å; N56-N60 PolarHBondContact O-ND2 2.98Å
57Y53.7Low50.6Low179 Ų179113.8 Ų113.870%0.70259%0.593SS**Hα-helixtrans-69.4-41.7178.9-150.1-92.5000112.5L53 S54 F61L53-Y57 PolarHBondContact O-N 2.88Å; S54-Y57 PolarHBondContact O-N 3.48Å; Y57-F61 WeakPolarHBondContact O-CB 3.24Å; Y57-F61 PolarHBondContact O-N 3.44Å
58L54.8Low51.2Low99 Ų99107.1 Ų107.152%0.51857%0.571SS.*Hα-helixtrans-66.8-45.1174.9-69.9175.8000111.3S54 N60 F61 F62S54-L58 PolarHBondContact O-N 2.84Å; S54-L58 VanDerWaalsContact O-N 3.14Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.31Å; L58-F61 WeakPolarHBondContact O-CB 3.34Å; L58-F61 PolarHBondContact O-N 3.27Å; L58-F62 WeakPolarHBondContact O-CD2 3.42Å; L58-F62 PolarHBondContact O-N 2.89Å
59S55Low51.8Low68 Ų68101.2 Ų101.248%0.47656%0.556SS.*Hα-helixtrans-61.5-42.5176.6-660000112.2S55 F61 F62 H63S55-S59 WeakPolarHBondContact O-CB 3.3Å; S55-S59 PolarHBondContact O-N 3.17Å; S55-S59 PolarHBondContact O-OG 3.31Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 3.19Å; S59-F62 PolarHBondContact O-N 2.86Å; S59-H63 WeakPolarHBondContact O-CB 3.45Å; S59-H63 PolarHBondContact O-N 3.44Å
60N55.8Low52.3Low96 Ų9697.9 Ų97.951%0.51354%0.543SS..Hα-helixtrans-65.4-36.1175.8-73.5-31.5000112.2N56 L58 H63 L64N56-N60 WeakPolarHBondContact O-CB 3.35Å; N56-N60 PolarHBondContact O-N 3.05Å; N56-N60 PolarHBondContact O-ND2 2.98Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.31Å; N60-H63 PolarHBondContact O-N 3.36Å; N60-L64 WeakPolarHBondContact O-CB 3.12Å; N60-L64 PolarHBondContact O-N 2.96Å
61F64Low52.6Low117 Ų117101.3 Ų101.351%0.51354%0.541SS..Hα-helixtrans-66.2-41.2175.7-176.9-97.5000112.4Y57 L58 S59 N65Y57-F61 WeakPolarHBondContact O-CB 3.24Å; Y57-F61 PolarHBondContact O-N 3.44Å; L58-F61 WeakPolarHBondContact O-CB 3.34Å; L58-F61 PolarHBondContact O-N 3.27Å; S59-F61 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 3.19Å; F61-N65 WeakPolarHBondContact CD1-ND2 3.46Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.37Å; F61-N65 VanDerWaalsContact CZ-ND2 3.27Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.49Å; F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 3.06Å; F61-N65 VanDerWaalsContact O-N 3.13Å; F61-N65 PolarHBondContact O-ND2 3.19Å
62F53.5Low52.8Low137 Ų137102.2 Ų102.260%0.60154%0.543SS*.Hα-helixtrans-68.1-37.8174.3-74.1-68.5000112L58 S59 T66L58-F62 WeakPolarHBondContact O-CD2 3.42Å; L58-F62 PolarHBondContact O-N 2.89Å; S59-F62 PolarHBondContact O-N 2.86Å; F62-T66 WeakPolarHBondContact O-CB 3.26Å; F62-T66 PolarHBondContact O-N 2.85Å; F62-T66 PolarHBondContact O-OG1 2.97Å
63H53Low53.1Low120 Ų120104.9 Ų104.956%0.55655%0.55SS*.Hα-helixtrans-67.4-44.9177.2-142.375.8000112.2S59 N60 N65 T66 E67S59-H63 WeakPolarHBondContact O-CB 3.45Å; S59-H63 PolarHBondContact O-N 3.44Å; N60-H63 PolarHBondContact O-N 3.36Å; H63-N65 PolarHBondContact O-N 3.11Å; H63-T66 PolarHBondContact O-N 3.38Å; H63-E67 IonicContact CD2-OE1 2.76Å; H63-E67 IonicContact NE2-OE1 3.97Å; H63-E67 PolarHBondContact O-N 2.94Å
64L54.5Low53.1Low117 Ų117108.9 Ų108.961%0.61356%0.557SS**Hα-helixtrans-62.2-40.3176.6-89.4154.3000112.8N60 T66 E67 A68N60-L64 WeakPolarHBondContact O-CB 3.12Å; N60-L64 PolarHBondContact O-N 2.96Å; L64-T66 VanDerWaalsContact C-N 3.35Å; L64-E67 PolarHBondContact O-N 2.93Å; L64-A68 WeakPolarHBondContact O-CB 3.26Å; L64-A68 PolarHBondContact O-N 3.47Å
65N52.6Low52.5Low73 Ų73114.7 Ų114.739%0.3957%0.574SS.*Hα-helixtrans-69.2-33.8175.4-79.1-55.9000112.3F61 H63 A68 L69F61-N65 WeakPolarHBondContact CD1-ND2 3.46Å; F61-N65 WeakPolarHBondContact CE1-ND2 3.37Å; F61-N65 VanDerWaalsContact CZ-ND2 3.27Å; F61-N65 WeakPolarHBondContact CZ-ND2 3.49Å; F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 3.06Å; F61-N65 VanDerWaalsContact O-N 3.13Å; F61-N65 PolarHBondContact O-ND2 3.19Å; H63-N65 PolarHBondContact O-N 3.11Å; N65-A68 PolarHBondContact O-N 3.47Å; N65-L69 VanDerWaalsContact O-CG 3.28Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.18Å
66T53.8Low52.3Low79 Ų79114.6 Ų114.649%0.48558%0.584SS.*Hα-helixtrans-68.7-39175.6-53.20000111.3F62 H63 L64 L69 T70F62-T66 WeakPolarHBondContact O-CB 3.26Å; F62-T66 PolarHBondContact O-N 2.85Å; F62-T66 PolarHBondContact O-OG1 2.97Å; H63-T66 PolarHBondContact O-N 3.38Å; L64-T66 VanDerWaalsContact C-N 3.35Å; T66-L69 PolarHBondContact O-N 3.42Å; T66-T70 WeakPolarHBondContact O-CB 3.31Å; T66-T70 VanDerWaalsContact O-CG2 3.26Å; T66-T70 WeakPolarHBondContact O-CG2 3.38Å; T66-T70 PolarHBondContact O-N 2.69Å; T66-T70 PolarHBondContact O-OG1 3.05Å
67E50.8Low51.5Low89 Ų89115.8 Ų115.842%0.41660%0.599SS.*Hα-helixtrans-67.6-35.7173-72.3-174.2-171.600113H63 L64 T70 K71H63-E67 IonicContact CD2-OE1 2.76Å; H63-E67 IonicContact NE2-OE1 3.97Å; H63-E67 PolarHBondContact O-N 2.94Å; L64-E67 PolarHBondContact O-N 2.93Å; E67-T70 WeakPolarHBondContact CA-OG1 3.43Å; E67-T70 PolarHBondContact O-OG1 3.01Å; E67-K71 WeakPolarHBondContact O-CB 3.28Å; E67-K71 PolarHBondContact O-N 3.39Å
68A53.3Low51.2Low55 Ų55111.9 Ų111.946%0.45560%0.598SS.*Hα-helixtrans-68.2-37.1175.900000112.5L64 N65 S72L64-A68 WeakPolarHBondContact O-CB 3.26Å; L64-A68 PolarHBondContact O-N 3.47Å; N65-A68 PolarHBondContact O-N 3.47Å; A68-S72 PolarHBondContact O-N 3.47Å; A68-S72 PolarHBondContact O-OG 2.88Å; A68-S72 VanDerWaalsContact O-OG 3.06Å
69L52.9Low51Low112 Ų112113.3 Ų113.359%0.58661%0.614SS**Hα-helixtrans-69.2-48.4173.9-71.7168.5000110.7N65 T66 K71 S72 F73N65-L69 VanDerWaalsContact O-CG 3.28Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.18Å; T66-L69 PolarHBondContact O-N 3.42Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-S72 WeakPolarHBondContact O-CB 3.22Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-S72 VanDerWaalsContact O-N 3.11Å; L69-F73 WeakPolarHBondContact O-CD2 3.44Å
70T52.6Low50.7Low73 Ų73121 Ų12145%0.44863%0.634SS.*Hα-helixtrans-68.4-32.3-177.353.10000113.7T66 E67 S72 F73T66-T70 WeakPolarHBondContact O-CB 3.31Å; T66-T70 VanDerWaalsContact O-CG2 3.26Å; T66-T70 WeakPolarHBondContact O-CG2 3.38Å; T66-T70 PolarHBondContact O-N 2.69Å; T66-T70 PolarHBondContact O-OG1 3.05Å; E67-T70 WeakPolarHBondContact CA-OG1 3.43Å; E67-T70 PolarHBondContact O-OG1 3.01Å; T70-S72 VanDerWaalsContact C-N 3.28Å; T70-S72 PolarHBondContact O-N 3.48Å; T70-F73 PolarHBondContact O-N 3.17Å
71K48.5Very low50.7Low160 Ų160119 Ų11970%0.69664%0.636SS**Hα-helixtrans-69.2-22.7171.6-86.3177.4177.8163.20113.8E67 L69E67-K71 WeakPolarHBondContact O-CB 3.28Å; E67-K71 PolarHBondContact O-N 3.39Å; L69-K71 PolarHBondContact O-N 2.99Å
72S47.4Very low50.4Low96 Ų96116.8 Ų116.867%0.67164%0.635SS**Hα-helixtrans-78.8-18.4176.3-64.20000113.2A68 L69 T70A68-S72 PolarHBondContact O-N 3.47Å; A68-S72 PolarHBondContact O-OG 2.88Å; A68-S72 VanDerWaalsContact O-OG 3.06Å; L69-S72 WeakPolarHBondContact O-CB 3.22Å; L69-S72 PolarHBondContact O-N 2.94Å; L69-S72 VanDerWaalsContact O-N 3.11Å; T70-S72 VanDerWaalsContact C-N 3.28Å; T70-S72 PolarHBondContact O-N 3.48Å
73F47.9Very low50.6Low166 Ų166118.7 Ų118.773%0.72864%0.643SS**Hα-helixtrans-87.1-16.8-178.8-79.6-76.1000115.1L69 T70L69-F73 WeakPolarHBondContact O-CD2 3.44Å; T70-F73 PolarHBondContact O-N 3.17Å
74Y48.6Very low51.1Low215 Ų215116.3 Ų116.384%0.84364%0.64SS**SBendtrans-106.66.4-177.2-71.3-74.5000115.3
75K40.9Very low51.7Low193 Ų193116.3 Ų116.384%0.83964%0.641SS**SBendtrans-111.771.6176.5-147.3167.7-174.5176.90112.6
76G45.8Very low52.8Low69 Ų69116.9 Ų116.971%0.71164%0.643SS**  trans62.9108.3140.700000118.8
77S41.7Very low53.7Low118 Ų118116.8 Ų116.883%0.82564%0.642SS**  -176.5132.5123.533.10000112.4
78S46.8Very low54.7Low97 Ų97117.3 Ų117.368%0.67865%0.648SS**  trans40131.6146.4-1590000121.2Y80S78-Y80 VanDerWaalsContact C-N 3.29Å; S78-Y80 PolarHBondContact O-N 3.21Å; S78-Y80 VanDerWaalsContact O-N 3.08Å
79P51.8Low55.8Low130 Ų130116.7 Ų116.784%0.84465%0.646SS**SBendtrans-79.413-171.8131.5000116.4
80Y47.8Very low57Low229 Ų229116.2 Ų116.290%0.89864%0.644SS**SBendtrans-134.790.8-177.4-118.5-98.9000110.8S78S78-Y80 VanDerWaalsContact C-N 3.29Å; S78-Y80 PolarHBondContact O-N 3.21Å; S78-Y80 VanDerWaalsContact O-N 3.08Å
81G56.7Low58.1Low54 Ų54117 Ų11756%0.55765%0.645SS**SBendtrans153.910.5176.200000116.6N85G81-N85 PolarHBondContact O-ND2 3.04Å
82S56.8Low59.4Low70 Ų70112.1 Ų112.149%0.4963%0.631SS.*  trans-92.2-12.3-162.3-168.70000115.6I86S82-I86 WeakPolarHBondContact O-CD1 3.04Å; S82-I86 VanDerWaalsContact O-CG1 3.3Å; S82-I86 WeakPolarHBondContact O-CG1 3.46Å
83F58.4Low61Low177 Ų177111.6 Ų111.678%0.77662%0.621SS**Hα-helixtrans-78.1-34.3-172.8-68-74.3000114.6I86 V87F83-I86 PolarHBondContact O-N 2.85Å; F83-V87 WeakPolarHBondContact O-CG2 3.33Å; F83-V87 PolarHBondContact O-N 3.34Å; F83-V87 VanDerWaalsContact O-N 3.11Å
84S63.5Low62.4Low70 Ų70106 Ų10649%0.4961%0.605SS.*Hα-helixtrans-65.4-45.1179.448.40000112I86 V87 D88S84-I86 VanDerWaalsContact C-N 3.28Å; S84-I86 PolarHBondContact O-N 3.36Å; S84-V87 PolarHBondContact O-N 2.89Å; S84-D88 WeakPolarHBondContact O-CB 3.42Å; S84-D88 VanDerWaalsContact O-CG 3.26Å; S84-D88 PolarHBondContact O-N 3.36Å
85N67.7Low63.5Low117 Ų117101 Ų10163%0.62659%0.593SS**Hα-helixtrans-64.4-31.6179.9-64.8-69000113G81 G89G81-N85 PolarHBondContact O-ND2 3.04Å; N85-G89 PolarHBondContact O-N 3.45Å
86I73.8Confident64.9Low86 Ų8696.9 Ų96.944%0.44158%0.577SS.*Hα-helixtrans-72.4-45.3175.3-64.7167.1000110S82 F83 S84 G89 L90S82-I86 WeakPolarHBondContact O-CD1 3.04Å; S82-I86 VanDerWaalsContact O-CG1 3.3Å; S82-I86 WeakPolarHBondContact O-CG1 3.46Å; F83-I86 PolarHBondContact O-N 2.85Å; S84-I86 VanDerWaalsContact C-N 3.28Å; S84-I86 PolarHBondContact O-N 3.36Å; I86-G89 PolarHBondContact O-N 3.1Å; I86-L90 HydrophobicContact CG2-CD1 3.93Å; I86-L90 HydrophobicContact CG2-CG 4.33Å; I86-L90 WeakPolarHBondContact O-CB 3.27Å; I86-L90 VanDerWaalsContact O-CG 3.24Å; I86-L90 WeakPolarHBondContact O-CG 3.18Å; I86-L90 PolarHBondContact O-N 3.45Å
87V74.4Confident66.1Low77 Ų7799.8 Ų99.847%0.46757%0.57SS.*Hα-helixtrans-64.5-42.7179.5171.90000111.2F83 S84 G89 L90 N91F83-V87 WeakPolarHBondContact O-CG2 3.33Å; F83-V87 PolarHBondContact O-N 3.34Å; F83-V87 VanDerWaalsContact O-N 3.11Å; S84-V87 PolarHBondContact O-N 2.89Å; V87-G89 VanDerWaalsContact C-N 3.34Å; V87-L90 PolarHBondContact O-N 2.94Å; V87-N91 WeakPolarHBondContact O-CB 3.48Å; V87-N91 VanDerWaalsContact O-CG 3.28Å; V87-N91 PolarHBondContact O-N 3.4Å; V87-N91 PolarHBondContact O-ND2 3.47Å; V87-N91 VanDerWaalsContact O-ND2 3.17Å
88D71.8Confident67.2Low100 Ų10098.3 Ų98.354%0.53556%0.559SS.*Hα-helixtrans-66.4-37.8176.6-66-30.6000111.5S84 N91 S92S84-D88 WeakPolarHBondContact O-CB 3.42Å; S84-D88 VanDerWaalsContact O-CG 3.26Å; S84-D88 PolarHBondContact O-N 3.36Å; D88-N91 PolarHBondContact O-N 3.13Å; D88-S92 WeakPolarHBondContact O-CB 3.46Å; D88-S92 PolarHBondContact O-N 3.01Å
89G76Confident67.8Low41 Ų41100.3 Ų100.342%0.42356%0.563SS.*Hα-helixtrans-64.3-39.6172.400000113.1N85 I86 V87 L93N85-G89 PolarHBondContact O-N 3.45Å; I86-G89 PolarHBondContact O-N 3.1Å; V87-G89 VanDerWaalsContact C-N 3.34Å; G89-L93 VanDerWaalsContact O-CB 3.26Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 2.88Å
90L78.5Confident68.3Low103 Ų10399.1 Ų99.154%0.53955%0.548SS..Hα-helixtrans-72.3-35.8176.8-70174.5000112.4I86 V87 L93 A94I86-L90 HydrophobicContact CG2-CD1 3.93Å; I86-L90 HydrophobicContact CG2-CG 4.33Å; I86-L90 WeakPolarHBondContact O-CB 3.27Å; I86-L90 VanDerWaalsContact O-CG 3.24Å; I86-L90 WeakPolarHBondContact O-CG 3.18Å; I86-L90 PolarHBondContact O-N 3.45Å; V87-L90 PolarHBondContact O-N 2.94Å; L90-L93 PolarHBondContact O-N 2.76Å; L90-A94 VanDerWaalsContact O-CB 3.31Å; L90-A94 WeakPolarHBondContact O-CB 3.32Å; L90-A94 PolarHBondContact O-N 3.13Å
91N74.9Confident68.6Low88 Ų8893.1 Ų93.147%0.47154%0.539SS..Hα-helixtrans-66.1-46.5173.7-75.3-34.8000111V87 D88 L93 A94 D95V87-N91 WeakPolarHBondContact O-CB 3.48Å; V87-N91 VanDerWaalsContact O-CG 3.28Å; V87-N91 PolarHBondContact O-N 3.4Å; V87-N91 PolarHBondContact O-ND2 3.47Å; V87-N91 VanDerWaalsContact O-ND2 3.17Å; D88-N91 PolarHBondContact O-N 3.13Å; N91-L93 VanDerWaalsContact C-N 3.28Å; N91-L93 PolarHBondContact O-N 3Å; N91-A94 PolarHBondContact O-N 3.35Å; N91-D95 PolarHBondContact O-N 2.89Å
92S76.6Confident68.2Low58 Ų5898.3 Ų98.341%0.40655%0.554SS.*Hα-helixtrans-60.1-40.7174.6177.50000111.3D88 D95 H96D88-S92 WeakPolarHBondContact O-CB 3.46Å; D88-S92 PolarHBondContact O-N 3.01Å; S92-D95 PolarHBondContact O-N 3.04Å; S92-H96 PolarHBondContact O-CD2 3.14Å; S92-H96 PolarHBondContact O-N 3Å; S92-H96 VanDerWaalsContact O-N 3.1Å
93L79.8Confident67.6Low85 Ų8599.5 Ų99.545%0.44556%0.562SS.*Hα-helixtrans-66.3-40.8176.1-171.662.8000112G89 L90 N91 D95 H96 F97G89-L93 VanDerWaalsContact O-CB 3.26Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 2.88Å; L90-L93 PolarHBondContact O-N 2.76Å; N91-L93 VanDerWaalsContact C-N 3.28Å; N91-L93 PolarHBondContact O-N 3Å; L93-D95 VanDerWaalsContact C-N 3.35Å; L93-H96 PolarHBondContact O-N 3.44Å; L93-F97 HydrophobicContact CD1-CD2 3.99Å; L93-F97 HydrophobicContact CD1-CE2 3.59Å; L93-F97 HydrophobicContact CD2-CE2 4.02Å; L93-F97 HydrophobicContact CG-CD2 3.75Å; L93-F97 HydrophobicContact CG-CE2 3.57Å; L93-F97 WeakPolarHBondContact O-CD2 3.36Å; L93-F97 PolarHBondContact O-N 3.32Å
94A77.9Confident67.3Low49 Ų4996.9 Ų96.941%0.40556%0.563SS.*Hα-helixtrans-64.2-37.9176.700000112.6L90 N91 H96 F97 S98L90-A94 VanDerWaalsContact O-CB 3.31Å; L90-A94 WeakPolarHBondContact O-CB 3.32Å; L90-A94 PolarHBondContact O-N 3.13Å; N91-A94 PolarHBondContact O-N 3.35Å; A94-H96 VanDerWaalsContact C-N 3.35Å; A94-F97 PolarHBondContact O-N 2.93Å; A94-S98 PolarHBondContact O-N 3.19Å; A94-S98 PolarHBondContact O-OG 2.99Å
95D71.6Confident66.3Low109 Ų109100.9 Ų100.958%0.58357%0.574SS**Hα-helixtrans-63.1-42.4172.6-72.6-26.2000110.8N91 S92 L93 S98N91-D95 PolarHBondContact O-N 2.89Å; S92-D95 PolarHBondContact O-N 3.04Å; L93-D95 VanDerWaalsContact C-N 3.35Å; D95-S98 WeakPolarHBondContact O-CB 3.17Å; D95-S98 PolarHBondContact O-N 2.96Å
96H70.9Confident65.4Low108 Ų108101.7 Ų101.750%0.558%0.583SS.*Hα-helixtrans-67.8-34.7175.6-69.1-53.8000113.5S92 L93 A94 S98 D99 I100S92-H96 PolarHBondContact O-CD2 3.14Å; S92-H96 PolarHBondContact O-N 3Å; S92-H96 VanDerWaalsContact O-N 3.1Å; L93-H96 PolarHBondContact O-N 3.44Å; A94-H96 VanDerWaalsContact C-N 3.35Å; H96-S98 VanDerWaalsContact C-N 3.33Å; H96-D99 PolarHBondContact O-N 3.04Å; H96-I100 WeakPolarHBondContact O-CD1 3.34Å; H96-I100 WeakPolarHBondContact O-CG1 3.48Å
97F69.6Low64.2Low129 Ų129105.3 Ų105.357%0.56660%0.597SS**Hα-helixtrans-70.8-29.2175.5-88.4-72.2000113L93 A94 D99 I100 S101L93-F97 HydrophobicContact CD1-CD2 3.99Å; L93-F97 HydrophobicContact CD1-CE2 3.59Å; L93-F97 HydrophobicContact CD2-CE2 4.02Å; L93-F97 HydrophobicContact CG-CD2 3.75Å; L93-F97 HydrophobicContact CG-CE2 3.57Å; L93-F97 WeakPolarHBondContact O-CD2 3.36Å; L93-F97 PolarHBondContact O-N 3.32Å; A94-F97 PolarHBondContact O-N 2.93Å; F97-D99 PolarHBondContact O-N 2.88Å; F97-I100 PolarHBondContact O-N 3.44Å; F97-I100 VanDerWaalsContact O-N 3.13Å; F97-S101 PolarHBondContact O-N 2.83Å
98S66.5Low63Low87 Ų87110.8 Ų110.861%0.60862%0.615SS**Hα-helixtrans-62.4-30.1174.7-59.30000111.9A94 D95 H96A94-S98 PolarHBondContact O-N 3.19Å; A94-S98 PolarHBondContact O-OG 2.99Å; D95-S98 WeakPolarHBondContact O-CB 3.17Å; D95-S98 PolarHBondContact O-N 2.96Å; H96-S98 VanDerWaalsContact C-N 3.33Å
99D59Low61.9Low140 Ų140111.8 Ų111.875%0.74963%0.627SS**Hα-helixtrans-82.3-15.7176.5-72.9-26.3000114H96 F97H96-D99 PolarHBondContact O-N 3.04Å; F97-D99 PolarHBondContact O-N 2.88Å
100I62.3Low61.1Low104 Ų104114.5 Ų114.553%0.53364%0.64SS.*Hα-helixtrans-100.3-0.1-175.6-60.4163.9000112H96 F97 L102H96-I100 WeakPolarHBondContact O-CD1 3.34Å; H96-I100 WeakPolarHBondContact O-CG1 3.48Å; F97-I100 PolarHBondContact O-N 3.44Å; F97-I100 VanDerWaalsContact O-N 3.13Å; I100-L102 VanDerWaalsContact C-N 3.28Å; I100-L102 PolarHBondContact O-N 3.31Å
101S53.2Low60.8Low103 Ų103118 Ų11872%0.7265%0.65SS**  trans-6984.7174.7-157.90000111.2F97 S103F97-S101 PolarHBondContact O-N 2.83Å; S101-S103 VanDerWaalsContact C-N 3.33Å; S101-S103 PolarHBondContact O-N 3.03Å
102L48.7Very low60.8Low164 Ų164124.3 Ų124.386%0.85967%0.668SS**  trans-75.180177.1-68169.4000110.1I100I100-L102 VanDerWaalsContact C-N 3.28Å; I100-L102 PolarHBondContact O-N 3.31Å
103S44.8Very low61.3Low94 Ų94122.3 Ų122.366%0.65765%0.653SS**  trans-77.6124.1153.3175.50000108.6S101 E105S101-S103 VanDerWaalsContact C-N 3.33Å; S101-S103 PolarHBondContact O-N 3.03Å; S103-E105 VanDerWaalsContact C-N 3.31Å; S103-E105 PolarHBondContact O-N 2.99Å
104P50.9Low61.7Low122 Ų122122 Ų12279%0.79266%0.657SS**  trans-81.777.4179.834-31.7000109.7
105E44Very low61.8Low155 Ų155125.5 Ų125.572%0.72468%0.675SS**SBendtrans-157.389.1165.6-110.1171.2-147.700112.4S103 H107S103-E105 VanDerWaalsContact C-N 3.31Å; S103-E105 PolarHBondContact O-N 2.99Å; E105-H107 VanDerWaalsContact C-N 3.29Å; E105-H107 PolarHBondContact O-N 2.77Å
106T48.3Very low62.6Low133 Ų133127 Ų12782%0.81668%0.683SS**  trans25.120.514555.30000124.1
107H47.8Very low63.6Low162 Ų162124.3 Ų124.375%0.7567%0.669SS**  trans-122.497.5179.2-66.4-78.6000111.7E105E105-H107 VanDerWaalsContact C-N 3.29Å; E105-H107 PolarHBondContact O-N 2.77Å
108K49.1Very low64.8Low193 Ų193121.6 Ų121.684%0.83966%0.66SS**  trans-40.5138.7162-70.3174.4177.2178.50109.5S110K108-S110 PolarHBondContact O-N 3.27Å
109P49.7Very low66Low120 Ų120117.5 Ų117.578%0.77963%0.631SS**  trans-53.1121.9173.921.4-31000108.1K111P109-K111 PolarHBondContact O-N 3.34Å
110S59.6Low67.5Low99 Ų99117.1 Ų117.169%0.69262%0.624SS**  trans-57100.7-175.354.50000108.8K108 R112K108-S110 PolarHBondContact O-N 3.27Å; S110-R112 PolarHBondContact O-N 2.69Å
111K71.7Confident68.8Low175 Ų175116.2 Ų116.276%0.76162%0.62SS**PPolyproline II helixtrans-57116.2171-64-172.8179.8-167.60105.9P109 Y128P109-K111 PolarHBondContact O-N 3.34Å; K111-Y128 WeakPolarHBondContact O-CE2 3.33Å
112R76Confident70.6Confident221 Ų221112 Ų11283%0.83459%0.591SS**PPolyproline II helixtrans-62.5139.9173.1-68.2-169.6-176.8-170.72.4107.9S110S110-R112 PolarHBondContact O-N 2.69Å
113P86.6Confident72.8Confident16 Ų16111.5 Ų111.510%0.10458%0.582CS.*PPolyproline II helixtrans-56.9153.1175.8-16.124.2000111.3Y117 Y128P113-Y117 HydrophobicContact CB-CD1 3.37Å; P113-Y117 HydrophobicContact CB-CE1 4.24Å; P113-Y117 HydrophobicContact CB-CG 3.71Å; P113-Y117 HydrophobicContact CG-CD1 3.82Å; P113-Y117 HydrophobicContact CG-CE1 4.3Å; P113-Y128 HydrophobicContact CB-CD1 4.15Å; P113-Y128 HydrophobicContact CB-CE1 3.78Å; P113-Y128 HydrophobicContact CB-CE2 4.37Å; P113-Y128 HydrophobicContact CG-CD1 3.91Å; P113-Y128 HydrophobicContact CG-CD2 3.92Å; P113-Y128 HydrophobicContact CG-CE1 3.98Å; P113-Y128 HydrophobicContact CG-CE2 4.02Å; P113-Y128 HydrophobicContact CG-CG 3.87Å
114P87.6Confident75Confident80 Ų80111.1 Ų111.152%0.51957%0.573SS.*PPolyproline II helixtrans-51.8153.2171.6-26.434.5000112.3N116 Y117P114-N116 PolarHBondContact O-N 2.87Å; P114-Y117 WeakPolarHBondContact O-CB 3.45Å; P114-Y117 PolarHBondContact O-N 3.2Å
115P80.6Confident76.9Confident121 Ų121111.8 Ų111.879%0.78656%0.563SS**THydrogen-bonded Turntrans-58.5-22.6-174.4-24.332.7000115.2
116N88.8Confident79.1Confident141 Ų141107 Ų10775%0.75456%0.555SS**THydrogen-bonded Turntrans-98.71.3178.5-159.729.9000113.8P114P114-N116 PolarHBondContact O-N 2.87Å
117Y91.9Very high81.2Confident51 Ų51102 Ų10220%0.252%0.522CS..  trans-77.4126.1174.2178.3-91.4000110.2P113 P114 H120 H127 Y128P113-Y117 HydrophobicContact CB-CD1 3.37Å; P113-Y117 HydrophobicContact CB-CE1 4.24Å; P113-Y117 HydrophobicContact CB-CG 3.71Å; P113-Y117 HydrophobicContact CG-CD1 3.82Å; P113-Y117 HydrophobicContact CG-CE1 4.3Å; P114-Y117 WeakPolarHBondContact O-CB 3.45Å; P114-Y117 PolarHBondContact O-N 3.2Å; Y117-H120 AromaticContact CE2-CD2 3.81Å; Y117-H120 AromaticContact CE2-NE2 3.73Å; Y117-H120 AromaticContact CZ-CD2 3.84Å; Y117-H120 PolarHBondContact OH-CD2 3.46Å; Y117-H127 VanDerWaalsContact CE1-O 3.3Å; Y117-H127 WeakPolarHBondContact CE1-O 3.13Å; Y117-Y128 HydrophobicContact CD1-CD1 4.28Å; Y117-Y128 AromaticContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CE1 4.39Å; Y117-Y128 HydrophobicContact CE2-CD1 4.36Å; Y117-Y128 AromaticContact CZ-CD1 3.82Å
118L93.4Very high83.3Confident73 Ų7398.1 Ų98.138%0.38250%0.502SS..BIsolated β-bridgetrans-104.3134.4169.8-58.9175.7000108.6H120 K125L118-H120 PolarHBondContact O-CD2 3.49Å; L118-H120 VanDerWaalsContact O-CD2 3.27Å; L118-H120 PolarHBondContact O-N 2.86Å; L118-K125 HydrophobicContact CD2-CB 4.47Å; L118-K125 HydrophobicContact CD2-CD 4.27Å; L118-K125 HydrophobicContact CD2-CG 3.35Å
119C91.4Very high85.2Confident0 Ų092.6 Ų92.60%048%0.48CS..  trans-58.1126.6172.5173.50000109.9L121 F123 N124 H127 C132C119-L121 PolarHBondContact O-N 3.15Å; C119-L121 VanDerWaalsContact O-N 3.1Å; C119-L121 PolarHBondContact SG-N 3.33Å; C119-F123 WeakPolarHBondContact O-CA 3.19Å; C119-F123 PolarHBondContact O-N 3.25Å; C119-N124 WeakPolarHBondContact CB-O 3.43Å; C119-N124 PolarHBondContact N-O 3.24Å; C119-H127 WeakPolarHBondContact CB-NE2 3.4Å; C119-H127 PolarHBondContact SG-NE2 2.78Å; C119-C132 VanDerWaalsContact SG-SG 3.61Å
120H91.8Very high86.8Confident132 Ų13295.9 Ų95.961%0.61148%0.482SS*.THydrogen-bonded Turntrans-71.9-5.6-176.1-69.9-129.2000113.8Y117 L118 I129Y117-H120 AromaticContact CE2-CD2 3.81Å; Y117-H120 AromaticContact CE2-NE2 3.73Å; Y117-H120 AromaticContact CZ-CD2 3.84Å; Y117-H120 PolarHBondContact OH-CD2 3.46Å; L118-H120 PolarHBondContact O-CD2 3.49Å; L118-H120 VanDerWaalsContact O-CD2 3.27Å; L118-H120 PolarHBondContact O-N 2.86Å; H120-I129 HydrophobicContact CB-CD1 4.15Å
121L89.4Confident88.1Confident85 Ų8596 Ų9645%0.44548%0.475SS..THydrogen-bonded Turntrans-96.9-47.4177.1-177.564.6000112.4C119 I129 C132 A135C119-L121 PolarHBondContact O-N 3.15Å; C119-L121 VanDerWaalsContact O-N 3.1Å; C119-L121 PolarHBondContact SG-N 3.33Å; L121-I129 HydrophobicContact CB-CD1 4.09Å; L121-I129 HydrophobicContact CB-CG1 4.04Å; L121-C132 HydrophobicContact CD2-CB 4.31Å; L121-A135 VanDerWaalsContact CD2-CA 3.43Å; L121-A135 HydrophobicContact CD2-CB 3.7Å
122C91.4Very high88.9Confident15 Ų1588 Ų8810%0.10144%0.441CS..THydrogen-bonded Turntrans-113.1-1.5-174.869.60000114.3N124 H127 Q134C122-N124 PolarHBondContact O-N 3.24Å; C122-N124 VanDerWaalsContact O-N 3.08Å; C122-N124 PolarHBondContact O-ND2 3.35Å; C122-H127 PolarHBondContact SG-CE1 3.48Å; C122-H127 PolarHBondContact SG-NE2 2.88Å; C122-Q134 HydrophobicContact CB-CB 4.27Å; C122-Q134 HydrophobicContact CB-CG 4.19Å
123F93Very high89.4Confident153 Ų15382.9 Ų82.967%0.67144%0.437SS*.  trans57.418.1-177.8-58.2-84.4000115.3C119C119-F123 WeakPolarHBondContact O-CA 3.19Å; C119-F123 PolarHBondContact O-N 3.25Å
124N91.7Very high89.2Confident87 Ų8788 Ų8847%0.46546%0.459SS..  trans-95.3151175.8-64.8-53.3000112.4C119 C122C119-N124 WeakPolarHBondContact CB-O 3.43Å; C119-N124 PolarHBondContact N-O 3.24Å; C122-N124 PolarHBondContact O-N 3.24Å; C122-N124 VanDerWaalsContact O-N 3.08Å; C122-N124 PolarHBondContact O-ND2 3.35Å
125K91.8Very high89Confident136 Ų13685.7 Ų85.759%0.59145%0.447SS*.BIsolated β-bridgetrans-75.4164.1174.8-65.1179.7-179.1-171.70111.5L118L118-K125 HydrophobicContact CD2-CB 4.47Å; L118-K125 HydrophobicContact CD2-CD 4.27Å; L118-K125 HydrophobicContact CD2-CG 3.35Å
126G90.2Very high88.7Confident53 Ų5391 Ų9155%0.54645%0.451SS..SBendtrans97.3-9.7163.400000117.1
127H91.6Very high87.7Confident29 Ų2989.7 Ų89.713%0.13445%0.451CS..SBendtrans-143.1151.8177.461.9-87.9000111.9Y117 C119 C122 D131 C132Y117-H127 VanDerWaalsContact CE1-O 3.3Å; Y117-H127 WeakPolarHBondContact CE1-O 3.13Å; C119-H127 WeakPolarHBondContact CB-NE2 3.4Å; C119-H127 PolarHBondContact SG-NE2 2.78Å; C122-H127 PolarHBondContact SG-CE1 3.48Å; C122-H127 PolarHBondContact SG-NE2 2.88Å; H127-D131 HydrophobicContact CB-CB 4.42Å; H127-C132 WeakPolarHBondContact CD2-CA 3.3Å; H127-C132 PolarHBondContact NE2-SG 3.1Å
128Y91.9Very high86.4Confident81 Ų8197.2 Ų97.232%0.31849%0.485SS..  trans-76.5155.9168.5-73.9-63.7000110.1K111 P113 Y117 K130 D131 C132K111-Y128 WeakPolarHBondContact O-CE2 3.33Å; P113-Y128 HydrophobicContact CB-CD1 4.15Å; P113-Y128 HydrophobicContact CB-CE1 3.78Å; P113-Y128 HydrophobicContact CB-CE2 4.37Å; P113-Y128 HydrophobicContact CG-CD1 3.91Å; P113-Y128 HydrophobicContact CG-CD2 3.92Å; P113-Y128 HydrophobicContact CG-CE1 3.98Å; P113-Y128 HydrophobicContact CG-CE2 4.02Å; P113-Y128 HydrophobicContact CG-CG 3.87Å; Y117-Y128 HydrophobicContact CD1-CD1 4.28Å; Y117-Y128 AromaticContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CD1 3.79Å; Y117-Y128 HydrophobicContact CE1-CE1 4.39Å; Y117-Y128 HydrophobicContact CE2-CD1 4.36Å; Y117-Y128 AromaticContact CZ-CD1 3.82Å; Y128-K130 PolarHBondContact O-N 3.08Å; Y128-D131 CarbonylContact O-C 3.5Å; Y128-D131 PolarHBondContact O-N 2.88Å; Y128-C132 PolarHBondContact O-N 3.42Å
129I88.7Confident85Confident76 Ų7695.9 Ų95.939%0.3949%0.488SS..G310 helixtrans-50.5-28.8176.7-173.2165.9000114.1H120 L121 D131 C132H120-I129 HydrophobicContact CB-CD1 4.15Å; L121-I129 HydrophobicContact CB-CD1 4.09Å; L121-I129 HydrophobicContact CB-CG1 4.04Å; I129-D131 VanDerWaalsContact C-N 3.3Å; I129-D131 PolarHBondContact O-N 3.43Å; I129-C132 WeakPolarHBondContact O-CB 3.4Å; I129-C132 PolarHBondContact O-N 3.29Å
130K84.2Confident84.3Confident189 Ų189106 Ų10682%0.82254%0.535SS*.G310 helixtrans-67.6-30.5177.7-60.6-179.6-177177.10113Y128Y128-K130 PolarHBondContact O-N 3.08Å
131D85.9Confident83.9Confident101 Ų101100.7 Ų100.754%0.5452%0.517SS..G310 helixtrans-106.517.9-176.2-43-51.8000110.5H127 Y128 I129 P133H127-D131 HydrophobicContact CB-CB 4.42Å; Y128-D131 CarbonylContact O-C 3.5Å; Y128-D131 PolarHBondContact O-N 2.88Å; I129-D131 VanDerWaalsContact C-N 3.3Å; I129-D131 PolarHBondContact O-N 3.43Å; D131-P133 WeakPolarHBondContact O-CD 3.19Å
132C88.8Confident83.8Confident7 Ų7102 Ų1025%0.04752%0.524CS..  trans-70.8123-176.6-175.30000110.1C119 L121 H127 Y128 I129 Q134 A135C119-C132 VanDerWaalsContact SG-SG 3.61Å; L121-C132 HydrophobicContact CD2-CB 4.31Å; H127-C132 WeakPolarHBondContact CD2-CA 3.3Å; H127-C132 PolarHBondContact NE2-SG 3.1Å; Y128-C132 PolarHBondContact O-N 3.42Å; I129-C132 WeakPolarHBondContact O-CB 3.4Å; I129-C132 PolarHBondContact O-N 3.29Å; C132-Q134 PolarHBondContact O-N 2.96Å; C132-A135 HydrophobicContact CB-CB 3.94Å; C132-A135 WeakPolarHBondContact O-CB 3.37Å; C132-A135 PolarHBondContact O-N 3.49Å
133P85.8Confident83.8Confident114 Ų114101.5 Ų101.574%0.7452%0.52SS*.THydrogen-bonded Turntrans-66.2-20.7178.627.2-35.2000112.6D131D131-P133 WeakPolarHBondContact O-CD 3.19Å
134Q83.8Confident83.6Confident123 Ų12398.3 Ų98.358%0.57552%0.515SS*.THydrogen-bonded Turntrans-86.4-9.2171.8-62.1-171.7-8.600112.9C122 C132 R136C122-Q134 HydrophobicContact CB-CB 4.27Å; C122-Q134 HydrophobicContact CB-CG 4.19Å; C132-Q134 PolarHBondContact O-N 2.96Å; Q134-R136 PolarHBondContact O-N 3.27Å; Q134-R136 VanDerWaalsContact O-N 3.15Å
135A83.3Confident83.5Confident32 Ų3296.8 Ų96.826%0.26450%0.503SS..SBendtrans-65.3119.5173.200000108.4L121 C132 P137L121-A135 VanDerWaalsContact CD2-CA 3.43Å; L121-A135 HydrophobicContact CD2-CB 3.7Å; C132-A135 HydrophobicContact CB-CB 3.94Å; C132-A135 WeakPolarHBondContact O-CB 3.37Å; C132-A135 PolarHBondContact O-N 3.49Å; A135-P137 WeakPolarHBondContact O-CD 3.13Å
136R73.8Confident83.5Confident232 Ų23294.3 Ų94.388%0.87549%0.494SS*.PPolyproline II helixtrans-58.9123.8163-67.3-173.8179.7-152.8-0.7106.4Q134 K138Q134-R136 PolarHBondContact O-N 3.27Å; Q134-R136 VanDerWaalsContact O-N 3.15Å; R136-K138 PolarHBondContact O-N 3.25Å
137P67.6Low83.5Confident115 Ų11593 Ų9375%0.74748%0.481SS*.PPolyproline II helixtrans-51.7137.4171.720.8-29.9000107.1A135 G139A135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-G139 PolarHBondContact O-N 3.12Å
138K64.8Low83.4Confident209 Ų209100.9 Ų100.991%0.90951%0.514SS*.  trans-51.2115.1169.1-66.1-172.6179.7-176.70104.7R136R136-K138 PolarHBondContact O-N 3.25Å
139G64.5Low83.3Confident45 Ų45104 Ų10446%0.46453%0.529SS..  trans-50.2154.3-169.300000110.7P137 G141P137-G139 PolarHBondContact O-N 3.12Å; G139-G141 PolarHBondContact O-N 2.74Å
140E76.1Confident83.4Confident211 Ų211104 Ų10499%0.98652%0.524SS*.SBendtrans-51.8-11.4-171.8-63.9173.3173.100115.7
141G83.3Confident83.8Confident22 Ų2295 Ų9523%0.22749%0.485CS..SBendtrans-86.7159.4-177.800000115.5G139 T143 Q146 N172G139-G141 PolarHBondContact O-N 2.74Å; G141-T143 PolarHBondContact O-N 2.88Å; G141-T143 VanDerWaalsContact O-N 3.12Å; G141-Q146 VanDerWaalsContact CA-NE2 3.31Å; G141-N172 VanDerWaalsContact C-OD1 3.27Å; G141-N172 WeakPolarHBondContact CA-OD1 3.06Å
142L88.4Confident84.2Confident111 Ų11192.6 Ų92.658%0.58147%0.47SS*.SBendtrans-67.5-11.5-176.2-58.5174.9000113.8N172 Y185L142-N172 PolarHBondContact N-OD1 3.32Å; L142-Y185 HydrophobicContact CB-CD1 4.1Å; L142-Y185 HydrophobicContact CB-CE1 4.04Å; L142-Y185 HydrophobicContact CB-CG 4.42Å; L142-Y185 HydrophobicContact CD1-CE1 3.88Å; L142-Y185 HydrophobicContact CD1-CE2 4.21Å; L142-Y185 WeakPolarHBondContact CD1-OH 3.47Å
143T90.8Very high84.5Confident6 Ų692.2 Ų92.24%0.03747%0.468CS..SBendtrans-129.1152-174.465.60000112.4G141 Y145 Q146 A171 N172 Y185 P186 Q189G141-T143 PolarHBondContact O-N 2.88Å; G141-T143 VanDerWaalsContact O-N 3.12Å; T143-Y145 VanDerWaalsContact C-N 3.29Å; T143-Y145 PolarHBondContact O-N 2.92Å; T143-Y145 PolarHBondContact OG1-O 2.9Å; T143-Q146 PolarHBondContact O-NE2 3.32Å; T143-A171 WeakPolarHBondContact OG1-CA 3.32Å; T143-N172 PolarHBondContact OG1-N 2.99Å; T143-Y185 HydrophobicContact CG2-CD1 3.74Å; T143-Y185 HydrophobicContact CG2-CG 4.39Å; T143-P186 HydrophobicContact CG2-CG 3.94Å; T143-Q189 PolarHBondContact OG1-OE1 2.9Å
144P89.3Confident85Confident86 Ų8688.4 Ų88.456%0.55844%0.44SS*.SBendtrans-59.8-35.5-180-25.534.2000114.6P186P144-P186 VanDerWaalsContact CD-O 3.25Å; P144-P186 WeakPolarHBondContact CD-O 3.28Å
145Y90.1Very high85.6Confident55 Ų5582.7 Ų82.722%0.21641%0.413CS..  trans-89.6133.2176.1177.5-103.2000110.3T143 G147 K149 C151 A171T143-Y145 VanDerWaalsContact C-N 3.29Å; T143-Y145 PolarHBondContact O-N 2.92Å; T143-Y145 PolarHBondContact OG1-O 2.9Å; Y145-G147 VanDerWaalsContact CE1-C 3.41Å; Y145-G147 VanDerWaalsContact CE1-CA 3.46Å; Y145-G147 WeakPolarHBondContact CE1-O 3.45Å; Y145-G147 WeakPolarHBondContact OH-CA 3.43Å; Y145-K149 WeakPolarHBondContact CE1-O 3.25Å; Y145-K149 PolarHBondContact OH-N 3.44Å; Y145-K149 PolarHBondContact OH-O 2.84Å; Y145-C151 HydrophobicContact CD1-CB 4.38Å; Y145-C151 HydrophobicContact CE1-CB 4.42Å; Y145-A171 HydrophobicContact CD1-CB 4.22Å; Y145-A171 WeakPolarHBondContact O-CA 3.21Å; Y145-A171 VanDerWaalsContact O-CB 3.28Å; Y145-A171 WeakPolarHBondContact O-CB 3.45Å
146Q91.7Very high86.3Confident84 Ų8486.1 Ų86.139%0.39342%0.422SS..  trans-12215.6-178.7-66-58.4-42.200112.7G141 T143 N172G141-Q146 VanDerWaalsContact CA-NE2 3.31Å; T143-Q146 PolarHBondContact O-NE2 3.32Å; Q146-N172 PolarHBondContact NE2-OD1 3.18Å; Q146-N172 PolarHBondContact OE1-ND2 3.13Å; Q146-N172 PolarHBondContact OE1-OD1 3.49Å
147G88.6Confident87.5Confident26 Ų2675 Ų7527%0.26838%0.38SS..SBendtrans-86173177.400000113.2Y145 A171Y145-G147 VanDerWaalsContact CE1-C 3.41Å; Y145-G147 VanDerWaalsContact CE1-CA 3.46Å; Y145-G147 WeakPolarHBondContact CE1-O 3.45Å; Y145-G147 WeakPolarHBondContact OH-CA 3.43Å; G147-A171 WeakPolarHBondContact O-CB 3.49Å
148K89.4Confident88.9Confident194 Ų19473.3 Ų73.384%0.84337%0.369SS*.SBendtrans-85.5-24-177.5-62.6-178.6-178.1-179.60113.8W170K148-W170 WeakPolarHBondContact O-CZ3 3.32Å
149K90.8Very high90.4Very high145 Ų14570.1 Ų70.163%0.6336%0.355SS*.SBendtrans-81.9155.9-174.3-68.4-176.2177.3178.20111.3Y145Y145-K149 WeakPolarHBondContact CE1-O 3.25Å; Y145-K149 PolarHBondContact OH-N 3.44Å; Y145-K149 PolarHBondContact OH-O 2.84Å
150R91.8Very high92Very high76 Ų7669.8 Ų69.829%0.28735%0.345SS..  trans-61.9143.4168-174169.260.998.8-6.3111.1G167 N168 W170 L192R150-G167 WeakPolarHBondContact CD-O 3.31Å; R150-G167 WeakPolarHBondContact CG-O 3.4Å; R150-G167 PolarHBondContact NH1-O 2.88Å; R150-N168 WeakPolarHBondContact CD-OD1 3.49Å; R150-W170 HydrophobicContact CB-CH2 4Å; R150-W170 HydrophobicContact CB-CZ2 3.81Å; R150-W170 HydrophobicContact CB-CZ3 4.48Å; R150-W170 HydrophobicContact CG-CZ2 4.27Å; R150-L192 HydrophobicContact CB-CD1 4.45Å; R150-L192 HydrophobicContact CG-CD1 4.04Å
151C92.3Very high93Very high0 Ų066 Ų660%033%0.326CS..EExtended strand (participates in β ladder)trans-137.2169.4178.8700000111.5Y145 G167 S169 R190Y145-C151 HydrophobicContact CD1-CB 4.38Å; Y145-C151 HydrophobicContact CE1-CB 4.42Å; C151-G167 CarbonylContact O-C 3.54Å; C151-S169 PolarHBondContact N-O 2.9Å; C151-S169 VanDerWaalsContact O-CB 3.27Å; C151-S169 WeakPolarHBondContact O-CB 3.23Å; C151-S169 PolarHBondContact O-N 3.03Å; C151-S169 VanDerWaalsContact O-N 3.13Å; C151-R190 VanDerWaalsContact CB-O 3.32Å; C151-R190 WeakPolarHBondContact CB-O 3.49Å
152F93.2Very high93.7Very high51 Ų5171.5 Ų71.522%0.22434%0.339CS..EExtended strand (participates in β ladder)trans-81.2124.8170.8-170.1-96.2000109.6E154 M165 Q189 R190 L192F152-E154 HydrophobicContact CD1-CG 4.43Å; F152-E154 HydrophobicContact CE1-CG 4.03Å; F152-M165 HydrophobicContact CE1-CB 3.9Å; F152-M165 HydrophobicContact CE1-CG 4.06Å; F152-M165 HydrophobicContact CE1-SD 3.68Å; F152-M165 HydrophobicContact CE2-CB 4.08Å; F152-M165 HydrophobicContact CZ-CB 3.39Å; F152-M165 HydrophobicContact CZ-CE 4.03Å; F152-M165 HydrophobicContact CZ-CG 3.87Å; F152-M165 HydrophobicContact CZ-SD 3.48Å; F152-M165 WeakPolarHBondContact CZ-SD 3.11Å; F152-Q189 CarbonylContact O-C 3.48Å; F152-Q189 VanDerWaalsContact O-CA 3.22Å; F152-Q189 WeakPolarHBondContact O-CA 3.27Å; F152-R190 PolarHBondContact N-O 2.7Å; F152-R190 PolarHBondContact O-N 2.89Å; F152-L192 HydrophobicContact CB-CD2 4.05Å
153G94.7Very high94.2Very high0 Ų073.3 Ų73.30%034%0.343CS..EExtended strand (participates in β ladder)trans-115.7138.317900000112.3Y155 M165 S166 K188G153-Y155 WeakPolarHBondContact O-CD2 3.12Å; G153-Y155 WeakPolarHBondContact O-CE2 3.32Å; G153-M165 WeakPolarHBondContact O-CA 3.16Å; G153-S166 PolarHBondContact N-O 2.89Å; G153-S166 PolarHBondContact O-N 2.83Å; G153-K188 WeakPolarHBondContact CA-O 3.35Å
154E96.2Very high94.4Very high34 Ų3475.1 Ų75.116%0.15935%0.349CS..EExtended strand (participates in β ladder)trans-105.4130.5170.5-62.7174.6-146.300109.7F152 M165 P186 H187 K188 R190F152-E154 HydrophobicContact CD1-CG 4.43Å; F152-E154 HydrophobicContact CE1-CG 4.03Å; E154-M165 HydrophobicContact CG-CG 4.23Å; E154-M165 HydrophobicContact CG-SD 4.47Å; E154-P186 CarbonylContact O-C 3.48Å; E154-P186 VanDerWaalsContact O-CA 3.24Å; E154-P186 WeakPolarHBondContact O-CA 3.1Å; E154-H187 PolarHBondContact O-CE1 3.31Å; E154-H187 PolarHBondContact O-N 3.13Å; E154-H187 PolarHBondContact O-ND1 3.02Å; E154-K188 HydrophobicContact CB-CB 4.23Å; E154-K188 PolarHBondContact N-O 3.33Å; E154-R190 IonicContact OE1-CZ 3.56Å; E154-R190 IonicContact OE1-NE 2.74Å; E154-R190 PolarHBondContact OE1-NE 2.85Å; E154-R190 IonicContact OE1-NH2 3.44Å; E154-R190 PolarHBondContact OE1-NH2 2.82Å
155Y97.3Very high94.6Very high3 Ų377.1 Ų77.11%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-121148.1-173.1-60.3-99.4000110.4G153 K163 W164 S169 Q175 V184 P186G153-Y155 WeakPolarHBondContact O-CD2 3.12Å; G153-Y155 WeakPolarHBondContact O-CE2 3.32Å; Y155-K163 VanDerWaalsContact O-CA 3.26Å; Y155-K163 WeakPolarHBondContact O-CA 3.24Å; Y155-W164 VanDerWaalsContact CB-CZ2 3.43Å; Y155-W164 HydrophobicContact CD1-CZ2 4.04Å; Y155-W164 AromaticContact CD2-CD1 3.82Å; Y155-W164 AromaticContact CD2-NE1 3.55Å; Y155-W164 HydrophobicContact CG-CD2 4.33Å; Y155-W164 AromaticContact CG-CE2 3.62Å; Y155-W164 AromaticContact CG-CZ2 3.88Å; Y155-W164 HydrophobicContact CG-CZ2 3.88Å; Y155-W164 AromaticContact CG-NE1 3.46Å; Y155-W164 PolarHBondContact N-O 3.28Å; Y155-W164 PolarHBondContact O-N 2.69Å; Y155-S169 WeakPolarHBondContact OH-CB 3.39Å; Y155-S169 PolarHBondContact OH-OG 3.48Å; Y155-Q175 HydrophobicContact CD1-CB 4.34Å; Y155-Q175 HydrophobicContact CE1-CB 3.93Å; Y155-Q175 HydrophobicContact CE1-CG 3.95Å; Y155-Q175 HydrophobicContact CE2-CG 4.49Å; Y155-Q175 PolarHBondContact OH-NE2 2.78Å; Y155-V184 HydrophobicContact CD1-CG1 4.44Å; Y155-V184 VanDerWaalsContact CD1-O 3.25Å; Y155-V184 WeakPolarHBondContact CD1-O 3.3Å; Y155-V184 WeakPolarHBondContact CE1-O 3.43Å; Y155-P186 HydrophobicContact CD1-CB 4.09Å; Y155-P186 HydrophobicContact CE1-CB 3.76Å; Y155-P186 HydrophobicContact CE1-CG 4.07Å; Y155-P186 HydrophobicContact CE2-CB 4.26Å; Y155-P186 HydrophobicContact CG-CB 4.48Å
156K98.1Very high94.7Very high103 Ų10375.1 Ų75.145%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-141113.7173.3-178.2-177.3179.1-173.70108.6R162 K163 V184K156-R162 WeakPolarHBondContact CA-O 3.5Å; K156-K163 HydrophobicContact CB-CG 4.32Å; K156-K163 HydrophobicContact CG-CG 4.13Å; K156-V184 WeakPolarHBondContact O-CG1 3.15Å
157C98.1Very high94.7Very high0 Ų071.9 Ų71.90%034%0.336CS..  trans-64.6127.1179.4178.90000110.4K159 C160 K161 R162 W164 C177 V184C157-K159 VanDerWaalsContact C-N 3.29Å; C157-K159 PolarHBondContact O-N 3.05Å; C157-K159 PolarHBondContact SG-N 2.88Å; C157-C160 VanDerWaalsContact CB-SG 3.59Å; C157-C160 PolarHBondContact SG-N 2.91Å; C157-C160 VanDerWaalsContact SG-N 3.43Å; C157-K161 WeakPolarHBondContact O-CA 3.44Å; C157-K161 PolarHBondContact O-N 2.77Å; C157-R162 PolarHBondContact N-O 3.3Å; C157-W164 HydrophobicContact CB-CH2 4.1Å; C157-W164 HydrophobicContact CB-CZ3 3.76Å; C157-C177 HydrophobicContact CB-CB 4.15Å; C157-C177 VanDerWaalsContact SG-SG 3.63Å; C157-V184 HydrophobicContact CB-CG2 4.44Å
158P97.3Very high94.9Very high79 Ų7971 Ų7151%0.51332%0.324SS..THydrogen-bonded Turntrans-68.9-29.1178.727-34000112.3K161 I182P158-K161 WeakPolarHBondContact O-CE 3.22Å; P158-K161 PolarHBondContact O-NZ 3.15Å; P158-I182 HydrophobicContact CG-CD1 3.65Å
159K97.8Very high95.1Very high142 Ų14261.7 Ų61.762%0.61728%0.284SS*.THydrogen-bonded Turntrans-78.1-68.6178.4-70.1-175.9179.8-176.70112C157 C180 I182C157-K159 VanDerWaalsContact C-N 3.29Å; C157-K159 PolarHBondContact O-N 3.05Å; C157-K159 PolarHBondContact SG-N 2.88Å; K159-C180 HydrophobicContact CB-CB 4.3Å; K159-C180 HydrophobicContact CD-CB 4.27Å; K159-I182 HydrophobicContact CB-CD1 4.22Å; K159-I182 HydrophobicContact CD-CD1 3.8Å; K159-I182 HydrophobicContact CD-CG1 4.41Å; K159-I182 HydrophobicContact CD-CG2 4Å; K159-I182 HydrophobicContact CG-CD1 3.74Å
160C97.9Very high95.3Very high37 Ų3755.4 Ų55.425%0.2526%0.257CS..THydrogen-bonded Turntrans-91.41.5-173.968.70000115.4C157 R162 K179 C180C157-C160 VanDerWaalsContact CB-SG 3.59Å; C157-C160 PolarHBondContact SG-N 2.91Å; C157-C160 VanDerWaalsContact SG-N 3.43Å; C160-R162 PolarHBondContact O-N 3.34Å; C160-K179 HydrophobicContact CB-CD 4Å; C160-C180 WeakPolarHBondContact CB-SG 3.48Å
161K97.3Very high95.4Very high132 Ų13252.8 Ų52.857%0.57425%0.251SS*.  trans59.92.5-179.9-47.4-53.9-175.7-168.30116.1C157 P158 K163C157-K161 WeakPolarHBondContact O-CA 3.44Å; C157-K161 PolarHBondContact O-N 2.77Å; P158-K161 WeakPolarHBondContact O-CE 3.22Å; P158-K161 PolarHBondContact O-NZ 3.15Å; K161-K163 PolarHBondContact O-N 3.39Å
162R97.1Very high95.5Very high137 Ų13755.4 Ų55.452%0.51727%0.265SS..  trans-54.4137.3172.8-176.4174.5170.178.30109.8K156 C157 C160 W164K156-R162 WeakPolarHBondContact CA-O 3.5Å; C157-R162 PolarHBondContact N-O 3.3Å; C160-R162 PolarHBondContact O-N 3.34Å; R162-W164 HydrophobicContact CG-CE3 4.35Å; R162-W164 WeakPolarHBondContact O-CZ3 3.2Å
163K97.9Very high95.6Very high149 Ų14954.9 Ų54.965%0.64826%0.264SS*.EExtended strand (participates in β ladder)trans-109.5144.2173.3-59.9177.4-173.71740109.4Y155 K156 K161Y155-K163 VanDerWaalsContact O-CA 3.26Å; Y155-K163 WeakPolarHBondContact O-CA 3.24Å; K156-K163 HydrophobicContact CB-CG 4.32Å; K156-K163 HydrophobicContact CG-CG 4.13Å; K161-K163 PolarHBondContact O-N 3.39Å
164W96.2Very high95.6Very high45 Ų4555 Ų5517%0.1727%0.265CS..EExtended strand (participates in β ladder)trans-151.3165172.466.299.9000109.6Y155 C157 R162 C177 V184Y155-W164 VanDerWaalsContact CB-CZ2 3.43Å; Y155-W164 HydrophobicContact CD1-CZ2 4.04Å; Y155-W164 AromaticContact CD2-CD1 3.82Å; Y155-W164 AromaticContact CD2-NE1 3.55Å; Y155-W164 HydrophobicContact CG-CD2 4.33Å; Y155-W164 AromaticContact CG-CE2 3.62Å; Y155-W164 AromaticContact CG-CZ2 3.88Å; Y155-W164 HydrophobicContact CG-CZ2 3.88Å; Y155-W164 AromaticContact CG-NE1 3.46Å; Y155-W164 PolarHBondContact N-O 3.28Å; Y155-W164 PolarHBondContact O-N 2.69Å; C157-W164 HydrophobicContact CB-CH2 4.1Å; C157-W164 HydrophobicContact CB-CZ3 3.76Å; R162-W164 HydrophobicContact CG-CE3 4.35Å; R162-W164 WeakPolarHBondContact O-CZ3 3.2Å; W164-C177 HydrophobicContact CH2-CB 3.89Å; W164-C177 HydrophobicContact CZ3-CB 4.38Å; W164-V184 HydrophobicContact CH2-CB 3.76Å; W164-V184 HydrophobicContact CH2-CG1 3.87Å; W164-V184 HydrophobicContact CH2-CG2 3.88Å; W164-V184 HydrophobicContact CZ2-CB 3.99Å; W164-V184 HydrophobicContact CZ2-CG1 4.27Å; W164-V184 HydrophobicContact CZ2-CG2 4.48Å
165M93.6Very high95.7Very high127 Ų12753.9 Ų53.963%0.62626%0.26SS*.EExtended strand (participates in β ladder)trans-124.4150.4178.2-56.8-174.1-62.100109.3F152 G153 E154F152-M165 HydrophobicContact CE1-CB 3.9Å; F152-M165 HydrophobicContact CE1-CG 4.06Å; F152-M165 HydrophobicContact CE1-SD 3.68Å; F152-M165 HydrophobicContact CE2-CB 4.08Å; F152-M165 HydrophobicContact CZ-CB 3.39Å; F152-M165 HydrophobicContact CZ-CE 4.03Å; F152-M165 HydrophobicContact CZ-CG 3.87Å; F152-M165 HydrophobicContact CZ-SD 3.48Å; F152-M165 WeakPolarHBondContact CZ-SD 3.11Å; G153-M165 WeakPolarHBondContact O-CA 3.16Å; E154-M165 HydrophobicContact CG-CG 4.23Å; E154-M165 HydrophobicContact CG-SD 4.47Å
166S91.8Very high95.7Very high14 Ų1455.4 Ų55.410%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-147.4129.7176.6-170.60000110.8G153 N168 Q175G153-S166 PolarHBondContact N-O 2.89Å; G153-S166 PolarHBondContact O-N 2.83Å; S166-N168 PolarHBondContact O-N 3.46Å; S166-N168 PolarHBondContact OG-N 3.05Å; S166-N168 VanDerWaalsContact OG-N 3.12Å; S166-Q175 PolarHBondContact OG-NE2 2.88Å
167G91.6Very high95.7Very high16 Ų1650.5 Ų50.517%0.16525%0.246CC..EExtended strand (participates in β ladder)trans-70.8-216600000113.3R150 C151R150-G167 WeakPolarHBondContact CD-O 3.31Å; R150-G167 WeakPolarHBondContact CG-O 3.4Å; R150-G167 PolarHBondContact NH1-O 2.88Å; C151-G167 CarbonylContact O-C 3.54Å
168N92.4Very high95.6Very high6 Ų655.4 Ų55.43%0.03227%0.271CS..EExtended strand (participates in β ladder)trans-108.950.7179.9-56.1-69.4000111.2R150 S166 Q175 H207 R223R150-N168 WeakPolarHBondContact CD-OD1 3.49Å; S166-N168 PolarHBondContact O-N 3.46Å; S166-N168 PolarHBondContact OG-N 3.05Å; S166-N168 VanDerWaalsContact OG-N 3.12Å; N168-Q175 PolarHBondContact O-NE2 2.88Å; N168-H207 VanDerWaalsContact ND2-CB 3.28Å; N168-H207 WeakPolarHBondContact ND2-CB 3.4Å; N168-H207 PolarHBondContact ND2-ND1 3.07Å; N168-R223 PolarHBondContact ND2-NH2 3.33Å; N168-R223 VanDerWaalsContact OD1-CG 3.22Å; N168-R223 WeakPolarHBondContact OD1-CG 3.07Å; N168-R223 PolarHBondContact OD1-NE 3.33Å
169S94.4Very high95.6Very high0 Ų059.1 Ų59.10%028%0.279CS..EExtended strand (participates in β ladder)trans-98141.5174.2-164.40000110.4C151 Y155 Q189C151-S169 PolarHBondContact N-O 2.9Å; C151-S169 VanDerWaalsContact O-CB 3.27Å; C151-S169 WeakPolarHBondContact O-CB 3.23Å; C151-S169 PolarHBondContact O-N 3.03Å; C151-S169 VanDerWaalsContact O-N 3.13Å; Y155-S169 WeakPolarHBondContact OH-CB 3.39Å; Y155-S169 PolarHBondContact OH-OG 3.48Å; S169-Q189 PolarHBondContact OG-NE2 3.35Å
170W94.8Very high95.6Very high13 Ų1353.9 Ų53.95%0.04926%0.26CS..  trans-130.8157.9-178.9-65.589000109.4K148 R150 N172 M173 Q189 K214 C222 V225K148-W170 WeakPolarHBondContact O-CZ3 3.32Å; R150-W170 HydrophobicContact CB-CH2 4Å; R150-W170 HydrophobicContact CB-CZ2 3.81Å; R150-W170 HydrophobicContact CB-CZ3 4.48Å; R150-W170 HydrophobicContact CG-CZ2 4.27Å; W170-N172 PolarHBondContact O-N 3.39Å; W170-M173 HydrophobicContact CB-CB 4.08Å; W170-M173 HydrophobicContact CB-CG 4.18Å; W170-Q189 PolarHBondContact O-NE2 3.18Å; W170-K214 HydrophobicContact CD2-CG 4.25Å; W170-K214 HydrophobicContact CG-CB 4.24Å; W170-K214 HydrophobicContact CG-CD 4.38Å; W170-K214 HydrophobicContact CG-CG 3.98Å; W170-C222 HydrophobicContact CZ2-CB 4.5Å; W170-C222 VanDerWaalsContact CZ2-O 3.3Å; W170-C222 WeakPolarHBondContact CZ2-O 3.48Å; W170-C222 PolarHBondContact NE1-SG 3.48Å; W170-V225 HydrophobicContact CH2-CB 3.85Å; W170-V225 HydrophobicContact CH2-CG1 3.95Å; W170-V225 VanDerWaalsContact CH2-O 3.28Å; W170-V225 WeakPolarHBondContact CH2-O 3.35Å; W170-V225 HydrophobicContact CZ2-CB 4.29Å; W170-V225 HydrophobicContact CZ3-CG1 4.18Å
171A93.7Very high95.5Very high20 Ų2058 Ų5817%0.16528%0.275CS..THydrogen-bonded Turntrans-59.5135.6170.100000110.2T143 Y145 G147 M173T143-A171 WeakPolarHBondContact OG1-CA 3.32Å; Y145-A171 HydrophobicContact CD1-CB 4.22Å; Y145-A171 WeakPolarHBondContact O-CA 3.21Å; Y145-A171 VanDerWaalsContact O-CB 3.28Å; Y145-A171 WeakPolarHBondContact O-CB 3.45Å; G147-A171 WeakPolarHBondContact O-CB 3.49Å; A171-M173 WeakPolarHBondContact O-CG 3.25Å; A171-M173 PolarHBondContact O-N 3.2Å; A171-M173 VanDerWaalsContact O-N 3.15Å
172N93.8Very high95.5Very high55 Ų5553.4 Ų53.429%0.29426%0.256SS..THydrogen-bonded Turntrans60.522.3173.5-52.9-39.8000114.9G141 L142 T143 Q146 W170G141-N172 VanDerWaalsContact C-OD1 3.27Å; G141-N172 WeakPolarHBondContact CA-OD1 3.06Å; L142-N172 PolarHBondContact N-OD1 3.32Å; T143-N172 PolarHBondContact OG1-N 2.99Å; Q146-N172 PolarHBondContact NE2-OD1 3.18Å; Q146-N172 PolarHBondContact OE1-ND2 3.13Å; Q146-N172 PolarHBondContact OE1-OD1 3.49Å; W170-N172 PolarHBondContact O-N 3.39Å
173M95.1Very high95.6Very high40 Ų4049.8 Ų49.820%0.19725%0.247CC..  trans-131.5140.1179.4-60.1-76.816600110.1W170 A171 E213 K214 V217W170-M173 HydrophobicContact CB-CB 4.08Å; W170-M173 HydrophobicContact CB-CG 4.18Å; A171-M173 WeakPolarHBondContact O-CG 3.25Å; A171-M173 PolarHBondContact O-N 3.2Å; A171-M173 VanDerWaalsContact O-N 3.15Å; M173-E213 WeakPolarHBondContact CA-OE2 3.5Å; M173-E213 HydrophobicContact SD-CB 4.46Å; M173-E213 HydrophobicContact SD-CG 3.92Å; M173-K214 HydrophobicContact CB-CB 4.45Å; M173-K214 HydrophobicContact CE-CD 4.5Å; M173-K214 HydrophobicContact CG-CB 4.31Å; M173-K214 HydrophobicContact CG-CD 4.2Å; M173-K214 HydrophobicContact SD-CD 4.45Å; M173-V217 HydrophobicContact SD-CG2 4.47Å
174G96.2Very high95.6Very high2 Ų243 Ų432%0.02122%0.218CC..  trans-105.3-179.3-179.900000113.5N183 V184 E213G174-N183 VanDerWaalsContact C-OD1 3.29Å; G174-N183 WeakPolarHBondContact CA-OD1 3.28Å; G174-V184 VanDerWaalsContact CA-O 3.25Å; G174-V184 WeakPolarHBondContact CA-O 3.36Å; G174-E213 PolarHBondContact N-OE2 3.25Å; G174-E213 VanDerWaalsContact O-CB 3.23Å; G174-E213 WeakPolarHBondContact O-CB 3.5Å; G174-E213 PolarHBondContact O-N 3.35Å
175Q97.4Very high95.6Very high12 Ų1244.9 Ų44.96%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-128.3139.8168.3-67.3-175.11100109.6Y155 S166 N168 C177 N183 V184 L211Y155-Q175 HydrophobicContact CD1-CB 4.34Å; Y155-Q175 HydrophobicContact CE1-CB 3.93Å; Y155-Q175 HydrophobicContact CE1-CG 3.95Å; Y155-Q175 HydrophobicContact CE2-CG 4.49Å; Y155-Q175 PolarHBondContact OH-NE2 2.78Å; S166-Q175 PolarHBondContact OG-NE2 2.88Å; N168-Q175 PolarHBondContact O-NE2 2.88Å; Q175-C177 PolarHBondContact O-N 2.74Å; Q175-N183 PolarHBondContact N-OD1 3Å; Q175-V184 PolarHBondContact N-O 2.93Å; Q175-V184 WeakPolarHBondContact O-CB 3.25Å; Q175-V184 PolarHBondContact O-N 3.15Å; Q175-L211 CarbonylContact C-O 3.52Å; Q175-L211 VanDerWaalsContact CA-O 3.26Å; Q175-L211 WeakPolarHBondContact CA-O 3.26Å
176E97.9Very high95.7Very high34 Ų3439 Ų3916%0.15920%0.197CC..EExtended strand (participates in β ladder)trans-71.1129.8177.7-168.3-179113.600110.4I178 H181 I182 L211 K216E176-I178 PolarHBondContact O-N 2.91Å; E176-H181 HydrophobicContact CG-CB 4.44Å; E176-H181 IonicContact OE1-CE1 3.88Å; E176-H181 IonicContact OE1-CG 3.53Å; E176-H181 IonicContact OE1-ND1 2.65Å; E176-H181 PolarHBondContact OE1-ND1 2.77Å; E176-I182 VanDerWaalsContact CA-O 3.32Å; E176-I182 WeakPolarHBondContact CA-O 3.13Å; E176-L211 HydrophobicContact CB-CB 4.15Å; E176-L211 HydrophobicContact CB-CD2 3.94Å; E176-L211 HydrophobicContact CG-CD2 4.24Å; E176-L211 PolarHBondContact N-O 3.39Å; E176-K216 IonicContact OE2-NZ 3.44Å; E176-K216 PolarHBondContact OE2-NZ 2.73Å
177C97.9Very high95.9Very high1 Ų142.8 Ų42.81%0.00721%0.213CC..  trans-69.6118.3173.5-178.60000110.1C157 W164 Q175 K179 C180 H181 I182 V184C157-C177 HydrophobicContact CB-CB 4.15Å; C157-C177 VanDerWaalsContact SG-SG 3.63Å; W164-C177 HydrophobicContact CH2-CB 3.89Å; W164-C177 HydrophobicContact CZ3-CB 4.38Å; Q175-C177 PolarHBondContact O-N 2.74Å; C177-K179 PolarHBondContact O-N 3.43Å; C177-C180 HydrophobicContact CB-CB 4.21Å; C177-C180 PolarHBondContact O-N 3.45Å; C177-H181 WeakPolarHBondContact O-CA 3.45Å; C177-H181 PolarHBondContact O-N 3.44Å; C177-I182 HydrophobicContact CB-CG1 4.38Å; C177-I182 PolarHBondContact N-O 2.87Å; C177-V184 HydrophobicContact CB-CG2 4.21Å
178I96.2Very high96Very high102 Ų10247.4 Ų47.452%0.52323%0.229SC..THydrogen-bonded Turntrans-53.1-25.4179.3-165.6168.4000115.3E176 L211E176-I178 PolarHBondContact O-N 2.91Å; I178-L211 HydrophobicContact CB-CD1 4.04Å; I178-L211 HydrophobicContact CD1-CD1 4.5Å; I178-L211 HydrophobicContact CG1-CD1 4.31Å
179K96.9Very high96Very high158 Ų15848.2 Ų48.269%0.68723%0.232SC*.THydrogen-bonded Turntrans-91.6-33.6179.5-176.6172.9-178.8178.90113.2C160 C177C160-K179 HydrophobicContact CB-CD 4Å; C177-K179 PolarHBondContact O-N 3.43Å
180C97.7Very high95.9Very high32 Ų3254.5 Ų54.522%0.21626%0.256CS..THydrogen-bonded Turntrans-111.2-10.2-169.1-66.10000113.4K159 C160 C177 I182K159-C180 HydrophobicContact CB-CB 4.3Å; K159-C180 HydrophobicContact CD-CB 4.27Å; C160-C180 WeakPolarHBondContact CB-SG 3.48Å; C177-C180 HydrophobicContact CB-CB 4.21Å; C177-C180 PolarHBondContact O-N 3.45Å; C180-I182 HydrophobicContact CB-CG1 3.91Å; C180-I182 PolarHBondContact O-N 2.92Å
181H96.7Very high95.6Very high123 Ų12358.2 Ų58.257%0.56928%0.282SS*.  trans50.930-176.6-60.1-67.5000114.2E176 C177E176-H181 HydrophobicContact CG-CB 4.44Å; E176-H181 IonicContact OE1-CE1 3.88Å; E176-H181 IonicContact OE1-CG 3.53Å; E176-H181 IonicContact OE1-ND1 2.65Å; E176-H181 PolarHBondContact OE1-ND1 2.77Å; C177-H181 WeakPolarHBondContact O-CA 3.45Å; C177-H181 PolarHBondContact O-N 3.44Å
182I97.4Very high95.1Very high35 Ų3560.5 Ų60.518%0.17929%0.291CS..  trans-103.2144172.959.4164.3000110.1P158 K159 E176 C177 C180 V184P158-I182 HydrophobicContact CG-CD1 3.65Å; K159-I182 HydrophobicContact CB-CD1 4.22Å; K159-I182 HydrophobicContact CD-CD1 3.8Å; K159-I182 HydrophobicContact CD-CG1 4.41Å; K159-I182 HydrophobicContact CD-CG2 4Å; K159-I182 HydrophobicContact CG-CD1 3.74Å; E176-I182 VanDerWaalsContact CA-O 3.32Å; E176-I182 WeakPolarHBondContact CA-O 3.13Å; C177-I182 HydrophobicContact CB-CG1 4.38Å; C177-I182 PolarHBondContact N-O 2.87Å; C180-I182 HydrophobicContact CB-CG1 3.91Å; C180-I182 PolarHBondContact O-N 2.92Å; I182-V184 HydrophobicContact CD1-CG2 4.17Å; I182-V184 HydrophobicContact CG1-CG2 4.01Å; I182-V184 PolarHBondContact O-N 3.23Å
183N97.6Very high94Very high62 Ų6266 Ų6633%0.33232%0.315SS..EExtended strand (participates in β ladder)trans-68.6129.6171.6-166.638.5000110.2G174 Q175 Y185 E213G174-N183 VanDerWaalsContact C-OD1 3.29Å; G174-N183 WeakPolarHBondContact CA-OD1 3.28Å; Q175-N183 PolarHBondContact N-OD1 3Å; N183-Y185 PolarHBondContact ND2-OH 3Å; N183-E213 VanDerWaalsContact ND2-CD 3.33Å; N183-E213 PolarHBondContact ND2-OE2 2.9Å
184V97.8Very high92.3Very high7 Ų773.7 Ų73.74%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-125.5122.2-178.6179.50000108.9Y155 K156 C157 W164 G174 Q175 C177 I182Y155-V184 HydrophobicContact CD1-CG1 4.44Å; Y155-V184 VanDerWaalsContact CD1-O 3.25Å; Y155-V184 WeakPolarHBondContact CD1-O 3.3Å; Y155-V184 WeakPolarHBondContact CE1-O 3.43Å; K156-V184 WeakPolarHBondContact O-CG1 3.15Å; C157-V184 HydrophobicContact CB-CG2 4.44Å; W164-V184 HydrophobicContact CH2-CB 3.76Å; W164-V184 HydrophobicContact CH2-CG1 3.87Å; W164-V184 HydrophobicContact CH2-CG2 3.88Å; W164-V184 HydrophobicContact CZ2-CB 3.99Å; W164-V184 HydrophobicContact CZ2-CG1 4.27Å; W164-V184 HydrophobicContact CZ2-CG2 4.48Å; G174-V184 VanDerWaalsContact CA-O 3.25Å; G174-V184 WeakPolarHBondContact CA-O 3.36Å; Q175-V184 PolarHBondContact N-O 2.93Å; Q175-V184 WeakPolarHBondContact O-CB 3.25Å; Q175-V184 PolarHBondContact O-N 3.15Å; C177-V184 HydrophobicContact CB-CG2 4.21Å; I182-V184 HydrophobicContact CD1-CG2 4.17Å; I182-V184 HydrophobicContact CG1-CG2 4.01Å; I182-V184 PolarHBondContact O-N 3.23Å
185Y97.1Very high90.4Very high83 Ų8377.4 Ų77.433%0.32537%0.371SS..  trans-78.7144.8174.3-65.4-73.9000111.1L142 T143 N183L142-Y185 HydrophobicContact CB-CD1 4.1Å; L142-Y185 HydrophobicContact CB-CE1 4.04Å; L142-Y185 HydrophobicContact CB-CG 4.42Å; L142-Y185 HydrophobicContact CD1-CE1 3.88Å; L142-Y185 HydrophobicContact CD1-CE2 4.21Å; L142-Y185 WeakPolarHBondContact CD1-OH 3.47Å; T143-Y185 HydrophobicContact CG2-CD1 3.74Å; T143-Y185 HydrophobicContact CG2-CG 4.39Å; N183-Y185 PolarHBondContact ND2-OH 3Å
186P96.5Very high88.3Confident4 Ų485.3 Ų85.33%0.02641%0.414CS..  trans-66.5136.1176.329.4-35.2000110.2T143 P144 E154 Y155 Q189T143-P186 HydrophobicContact CG2-CG 3.94Å; P144-P186 VanDerWaalsContact CD-O 3.25Å; P144-P186 WeakPolarHBondContact CD-O 3.28Å; E154-P186 CarbonylContact O-C 3.48Å; E154-P186 VanDerWaalsContact O-CA 3.24Å; E154-P186 WeakPolarHBondContact O-CA 3.1Å; Y155-P186 HydrophobicContact CD1-CB 4.09Å; Y155-P186 HydrophobicContact CE1-CB 3.76Å; Y155-P186 HydrophobicContact CE1-CG 4.07Å; Y155-P186 HydrophobicContact CE2-CB 4.26Å; Y155-P186 HydrophobicContact CG-CB 4.48Å; P186-Q189 HydrophobicContact CB-CG 3.79Å; P186-Q189 VanDerWaalsContact CG-CD 3.41Å; P186-Q189 HydrophobicContact CG-CG 3.64Å
187H94.3Very high86.4Confident93 Ų9387.5 Ų87.543%0.43145%0.445SS..SBendtrans-89.8-16.6177.767.1-72.2000112.5E154E154-H187 PolarHBondContact O-CE1 3.31Å; E154-H187 PolarHBondContact O-N 3.13Å; E154-H187 PolarHBondContact O-ND1 3.02Å
188K93.4Very high84.3Confident114 Ų11493.4 Ų93.450%0.49648%0.476SS..EExtended strand (participates in β ladder)trans-139.9138.8170.4-62.7176.8-178.3177.80108.5G153 E154G153-K188 WeakPolarHBondContact CA-O 3.35Å; E154-K188 HydrophobicContact CB-CB 4.23Å; E154-K188 PolarHBondContact N-O 3.33Å
189Q93.6Very high82.4Confident23 Ų2393 Ų9311%0.10748%0.475CS..EExtended strand (participates in β ladder)trans-132.7132.2173.2-76.5171.7-58.900109T143 F152 S169 W170 P186T143-Q189 PolarHBondContact OG1-OE1 2.9Å; F152-Q189 CarbonylContact O-C 3.48Å; F152-Q189 VanDerWaalsContact O-CA 3.22Å; F152-Q189 WeakPolarHBondContact O-CA 3.27Å; S169-Q189 PolarHBondContact OG-NE2 3.35Å; W170-Q189 PolarHBondContact O-NE2 3.18Å; P186-Q189 HydrophobicContact CB-CG 3.79Å; P186-Q189 VanDerWaalsContact CG-CD 3.41Å; P186-Q189 HydrophobicContact CG-CG 3.64Å
190R91.3Very high80.4Confident132 Ų13291 Ų9150%0.49848%0.476SS..EExtended strand (participates in β ladder)trans-124.3135.2-179.8-69.7-176.8-80.7162.4-4.8109C151 F152 E154 L192C151-R190 VanDerWaalsContact CB-O 3.32Å; C151-R190 WeakPolarHBondContact CB-O 3.49Å; F152-R190 PolarHBondContact N-O 2.7Å; F152-R190 PolarHBondContact O-N 2.89Å; E154-R190 IonicContact OE1-CZ 3.56Å; E154-R190 IonicContact OE1-NE 2.74Å; E154-R190 PolarHBondContact OE1-NE 2.85Å; E154-R190 IonicContact OE1-NH2 3.44Å; E154-R190 PolarHBondContact OE1-NH2 2.82Å; R190-L192 PolarHBondContact O-N 3.07Å
191P89Confident78.5Confident90 Ų9093.3 Ų93.358%0.58449%0.493SS*.EExtended strand (participates in β ladder)trans-50.7141.6171.3-25.935.2000110.9E193P191-E193 VanDerWaalsContact C-N 3.34Å; P191-E193 PolarHBondContact O-N 3.48Å
192L82.6Confident77.1Confident68 Ų6892.1 Ų92.136%0.35649%0.49SS..  trans-76.191.9169.3-72.8163.1000107.1R150 F152 R190R150-L192 HydrophobicContact CB-CD1 4.45Å; R150-L192 HydrophobicContact CG-CD1 4.04Å; F152-L192 HydrophobicContact CB-CD2 4.05Å; R190-L192 PolarHBondContact O-N 3.07Å
193E71.3Confident75.6Confident172 Ų17297 Ų9780%0.80451%0.512SS*.  trans-64.3132.4168.4-71.1177.2-174.100108.4P191 P195P191-E193 VanDerWaalsContact C-N 3.34Å; P191-E193 PolarHBondContact O-N 3.48Å; E193-P195 VanDerWaalsContact C-CD 3.5Å; E193-P195 WeakPolarHBondContact O-CD 3.37Å
194K60.2Low74.3Confident200 Ų20098.3 Ų98.387%0.8753%0.526SS*.  trans-9692168.9-61.9-178.7-177.1-174.50106.1D196K194-D196 PolarHBondContact O-N 2.74Å
195P55.8Low73.4Confident81 Ų81105 Ų10553%0.52656%0.555SS.*  trans-60.4125.4163.626.1-30.5000106.7E193 G197 L198E193-P195 VanDerWaalsContact C-CD 3.5Å; E193-P195 WeakPolarHBondContact O-CD 3.37Å; P195-G197 PolarHBondContact O-N 3.44Å; P195-L198 PolarHBondContact O-N 3.23Å
196D52.9Low72.7Confident177 Ų177107.4 Ų107.495%0.94757%0.569SS**THydrogen-bonded Turntrans-50.8103.4-174.2-148.59.4000110.1K194K194-D196 PolarHBondContact O-N 2.74Å
197G57.3Low72.3Confident80 Ų80108 Ų10883%0.82557%0.571SS**THydrogen-bonded Turntrans94.70.717000000119.6P195P195-G197 PolarHBondContact O-N 3.44Å
198L55.2Low72.2Confident125 Ų125106.8 Ų106.865%0.65457%0.572SS**  trans-117.598172.9-164.568.5000111P195 V200P195-L198 PolarHBondContact O-N 3.23Å; L198-V200 HydrophobicContact CD2-CG2 4.2Å; L198-V200 HydrophobicContact CG-CG2 4.16Å; L198-V200 PolarHBondContact O-N 3.3Å
199D54.8Low72.2Confident94 Ų94104.3 Ų104.350%0.50356%0.562SS.*  trans-75.285.7178.4-167.911.9000110.9S201 Q203D199-S201 PolarHBondContact O-N 2.65Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-N 2.76Å; D199-Q203 VanDerWaalsContact OD2-CG 3.31Å; D199-Q203 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q203 PolarHBondContact OD2-NE2 2.97Å
200V56.7Low72.2Confident117 Ų117109.2 Ų109.271%0.70959%0.585SS**  trans-70.5-1-179.5-173.50000112.3L198L198-V200 HydrophobicContact CD2-CG2 4.2Å; L198-V200 HydrophobicContact CG-CG2 4.16Å; L198-V200 PolarHBondContact O-N 3.3Å
201S57.4Low72.5Confident80 Ų80103.6 Ų103.656%0.55956%0.564SS**SBendtrans-136.7104173.2-91.90000110.4D199 Q203D199-S201 PolarHBondContact O-N 2.65Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-N 2.76Å; S201-Q203 PolarHBondContact O-N 3.19Å
202D66.3Low72.8Confident98 Ų9899.4 Ų99.452%0.52454%0.537SS..  trans-36.2100.9166.6-176.3-2.7000110.9S204 K205D202-S204 VanDerWaalsContact CG-OG 3.32Å; D202-S204 PolarHBondContact O-N 2.78Å; D202-S204 VanDerWaalsContact O-N 3.17Å; D202-S204 WeakPolarHBondContact OD1-CB 3.26Å; D202-S204 PolarHBondContact OD1-N 3.13Å; D202-S204 VanDerWaalsContact OD1-N 3.13Å; D202-S204 PolarHBondContact OD1-OG 3.46Å; D202-S204 PolarHBondContact OD2-OG 3.06Å; D202-K205 HydrophobicContact CB-CB 4.27Å; D202-K205 WeakPolarHBondContact O-CB 3.4Å; D202-K205 PolarHBondContact O-N 3.5Å
203Q66.9Low73.5Confident137 Ų13798.5 Ų98.564%0.6453%0.531SS*.THydrogen-bonded Turntrans-65.3-20.6-173.6-74.5178.161.500111.3D199 S201 R223D199-Q203 VanDerWaalsContact OD2-CG 3.31Å; D199-Q203 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q203 PolarHBondContact OD2-NE2 2.97Å; S201-Q203 PolarHBondContact O-N 3.19Å; Q203-R223 PolarHBondContact O-NH1 2.94Å
204S69.1Low74.6Confident90 Ų9092.4 Ų92.463%0.62950%0.502SS*.THydrogen-bonded Turntrans-77-23.1176.8800000113D202 E206D202-S204 VanDerWaalsContact CG-OG 3.32Å; D202-S204 PolarHBondContact O-N 2.78Å; D202-S204 VanDerWaalsContact O-N 3.17Å; D202-S204 WeakPolarHBondContact OD1-CB 3.26Å; D202-S204 PolarHBondContact OD1-N 3.13Å; D202-S204 VanDerWaalsContact OD1-N 3.13Å; D202-S204 PolarHBondContact OD1-OG 3.46Å; D202-S204 PolarHBondContact OD2-OG 3.06Å; S204-E206 PolarHBondContact O-N 3.26Å
205K79.7Confident76.3Confident148 Ų14883.1 Ų83.164%0.64346%0.462SS*.  trans-67.3104.8-177.8-171.7170.1-174.9167.70110.9D202 R223D202-K205 HydrophobicContact CB-CB 4.27Å; D202-K205 WeakPolarHBondContact O-CB 3.4Å; D202-K205 PolarHBondContact O-N 3.5Å; K205-R223 VanDerWaalsContact O-CZ 3.28Å; K205-R223 PolarHBondContact O-NH1 3.04Å; K205-R223 PolarHBondContact O-NH2 3.43Å
206E83.1Confident78.2Confident133 Ų13384.5 Ų84.562%0.62146%0.46SS*.  trans-62.8139.4172.2-63.3-161.2173.700110.4S204S204-E206 PolarHBondContact O-N 3.26Å
207H86.6Confident80.2Confident16 Ų1680.6 Ų80.67%0.07444%0.442CS..  trans-94.7158.8173.277-85.1000109.2N168 Q209 C212 C215 Y221 C222N168-H207 VanDerWaalsContact ND2-CB 3.28Å; N168-H207 WeakPolarHBondContact ND2-CB 3.4Å; N168-H207 PolarHBondContact ND2-ND1 3.07Å; H207-Q209 WeakPolarHBondContact O-CG 3.43Å; H207-Q209 PolarHBondContact O-N 2.96Å; H207-C212 WeakPolarHBondContact NE2-CB 2.76Å; H207-C215 VanDerWaalsContact CE1-SG 3.52Å; H207-C215 PolarHBondContact NE2-SG 3.12Å; H207-C215 VanDerWaalsContact NE2-SG 3.35Å; H207-Y221 AromaticContact CE1-CD2 3.96Å; H207-Y221 AromaticContact CE1-CE2 3.65Å; H207-Y221 AromaticContact ND1-CE2 3.44Å; H207-Y221 WeakPolarHBondContact ND1-CE2 3.42Å; H207-C222 PolarHBondContact CE1-SG 3.13Å
208P92.1Very high82Confident67 Ų6778.9 Ų78.944%0.43541%0.414SS..  trans-65.195.2179.526-34.5000110.9H210 L211 C212P208-H210 VanDerWaalsContact C-N 3.27Å; P208-H210 PolarHBondContact O-N 3.13Å; P208-L211 HydrophobicContact CB-CB 4.4Å; P208-L211 HydrophobicContact CB-CD1 4Å; P208-L211 HydrophobicContact CB-CG 4.15Å; P208-L211 HydrophobicContact CG-CB 4.49Å; P208-L211 HydrophobicContact CG-CD1 4.04Å; P208-L211 PolarHBondContact O-N 3.48Å; P208-C212 PolarHBondContact O-N 3.47Å
209Q94.2Very high83.9Confident63 Ų6376.3 Ų76.329%0.29442%0.417SS..G310 helixtrans-61.9-36.6-175.4-57.2-173.544.800111.7H207 L211 C212 C215 Y221H207-Q209 WeakPolarHBondContact O-CG 3.43Å; H207-Q209 PolarHBondContact O-N 2.96Å; Q209-L211 PolarHBondContact O-N 3.37Å; Q209-L211 VanDerWaalsContact O-N 3.13Å; Q209-C212 PolarHBondContact O-N 3.17Å; Q209-C215 HydrophobicContact CB-CB 4.07Å; Q209-Y221 HydrophobicContact CG-CD2 4.15Å
210H94.8Very high85.7Confident125 Ų12576.6 Ų76.658%0.57941%0.412SS*.G310 helixtrans-64-14.1176.968.6-85.5000113.7P208 K216P208-H210 VanDerWaalsContact C-N 3.27Å; P208-H210 PolarHBondContact O-N 3.13Å; H210-K216 WeakPolarHBondContact O-CE 3.34Å; H210-K216 PolarHBondContact O-NZ 3.4Å
211L95.9Very high87.3Confident14 Ų1472.6 Ų72.67%0.07339%0.385CS..G310 helixtrans-103.1-7.2173.3-55.8179.2000112.3Q175 E176 I178 P208 Q209Q175-L211 CarbonylContact C-O 3.52Å; Q175-L211 VanDerWaalsContact CA-O 3.26Å; Q175-L211 WeakPolarHBondContact CA-O 3.26Å; E176-L211 HydrophobicContact CB-CB 4.15Å; E176-L211 HydrophobicContact CB-CD2 3.94Å; E176-L211 HydrophobicContact CG-CD2 4.24Å; E176-L211 PolarHBondContact N-O 3.39Å; I178-L211 HydrophobicContact CB-CD1 4.04Å; I178-L211 HydrophobicContact CD1-CD1 4.5Å; I178-L211 HydrophobicContact CG1-CD1 4.31Å; P208-L211 HydrophobicContact CB-CB 4.4Å; P208-L211 HydrophobicContact CB-CD1 4Å; P208-L211 HydrophobicContact CB-CG 4.15Å; P208-L211 HydrophobicContact CG-CB 4.49Å; P208-L211 HydrophobicContact CG-CD1 4.04Å; P208-L211 PolarHBondContact O-N 3.48Å; Q209-L211 PolarHBondContact O-N 3.37Å; Q209-L211 VanDerWaalsContact O-N 3.13Å
212C96.3Very high88.9Confident2 Ų268.8 Ų68.81%0.01436%0.358CS..BIsolated β-bridgetrans-94116.6-176.8-179.30000110.6H207 P208 Q209 K214 C215 K216H207-C212 WeakPolarHBondContact NE2-CB 2.76Å; P208-C212 PolarHBondContact O-N 3.47Å; Q209-C212 PolarHBondContact O-N 3.17Å; C212-K214 VanDerWaalsContact C-N 3.28Å; C212-K214 PolarHBondContact O-N 2.91Å; C212-C215 HydrophobicContact CB-CB 3.91Å; C212-C215 PolarHBondContact O-N 3.36Å; C212-C215 VanDerWaalsContact O-N 3.13Å; C212-K216 WeakPolarHBondContact O-CG 3.44Å; C212-K216 PolarHBondContact O-N 3.27Å
213E96.6Very high90Very high49 Ų4966.8 Ų66.823%0.22934%0.343CS..Hα-helixtrans-57.9-41.9178.1-173175.4-164.300111.5M173 G174 N183 C215 K216 V217M173-E213 WeakPolarHBondContact CA-OE2 3.5Å; M173-E213 HydrophobicContact SD-CB 4.46Å; M173-E213 HydrophobicContact SD-CG 3.92Å; G174-E213 PolarHBondContact N-OE2 3.25Å; G174-E213 VanDerWaalsContact O-CB 3.23Å; G174-E213 WeakPolarHBondContact O-CB 3.5Å; G174-E213 PolarHBondContact O-N 3.35Å; N183-E213 VanDerWaalsContact ND2-CD 3.33Å; N183-E213 PolarHBondContact ND2-OE2 2.9Å; E213-C215 PolarHBondContact O-N 2.89Å; E213-K216 WeakPolarHBondContact O-CB 3.36Å; E213-K216 PolarHBondContact O-N 2.96Å; E213-V217 HydrophobicContact CG-CG2 4.41Å; E213-V217 VanDerWaalsContact O-CG2 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.44Å; E213-V217 PolarHBondContact O-N 2.92Å
214K95.8Very high91Very high44 Ų4469.3 Ų69.319%0.19135%0.347CS..Hα-helixtrans-60.7-41.7176.9-172.466.7173.1179.10112.4W170 M173 C212 L218 C222W170-K214 HydrophobicContact CD2-CG 4.25Å; W170-K214 HydrophobicContact CG-CB 4.24Å; W170-K214 HydrophobicContact CG-CD 4.38Å; W170-K214 HydrophobicContact CG-CG 3.98Å; M173-K214 HydrophobicContact CB-CB 4.45Å; M173-K214 HydrophobicContact CE-CD 4.5Å; M173-K214 HydrophobicContact CG-CB 4.31Å; M173-K214 HydrophobicContact CG-CD 4.2Å; M173-K214 HydrophobicContact SD-CD 4.45Å; C212-K214 VanDerWaalsContact C-N 3.28Å; C212-K214 PolarHBondContact O-N 2.91Å; K214-L218 HydrophobicContact CD-CD1 4.3Å; K214-L218 HydrophobicContact CD-CG 4.43Å; K214-L218 HydrophobicContact CG-CD1 3.99Å; K214-L218 HydrophobicContact CG-CG 4.49Å; K214-L218 WeakPolarHBondContact O-CB 3.07Å; K214-L218 WeakPolarHBondContact O-CG 3.28Å; K214-L218 PolarHBondContact O-N 3.35Å; K214-C222 HydrophobicContact CB-CB 4.15Å; K214-C222 HydrophobicContact CG-CB 3.7Å
215C95.9Very high91.6Very high5 Ų567 Ų673%0.03433%0.329CS..Hα-helixtrans-67.1-41.2176.6-66.80000111.4H207 Q209 C212 E213 V217 L218 G219 C222H207-C215 VanDerWaalsContact CE1-SG 3.52Å; H207-C215 PolarHBondContact NE2-SG 3.12Å; H207-C215 VanDerWaalsContact NE2-SG 3.35Å; Q209-C215 HydrophobicContact CB-CB 4.07Å; C212-C215 HydrophobicContact CB-CB 3.91Å; C212-C215 PolarHBondContact O-N 3.36Å; C212-C215 VanDerWaalsContact O-N 3.13Å; E213-C215 PolarHBondContact O-N 2.89Å; C215-V217 VanDerWaalsContact C-N 3.35Å; C215-V217 PolarHBondContact O-N 2.81Å; C215-L218 PolarHBondContact O-N 2.77Å; C215-G219 PolarHBondContact O-N 3.23Å; C215-C222 VanDerWaalsContact SG-CB 3.54Å; C215-C222 PolarHBondContact SG-N 3.17Å; C215-C222 VanDerWaalsContact SG-N 3.37Å
216K95.6Very high90.9Very high110 Ų11070 Ų7048%0.47835%0.345SS..Hα-helixtrans-59.3-45.4175.8-67.9-180-176.4-172.60111.7E176 H210 C212 E213 G219E176-K216 IonicContact OE2-NZ 3.44Å; E176-K216 PolarHBondContact OE2-NZ 2.73Å; H210-K216 WeakPolarHBondContact O-CE 3.34Å; H210-K216 PolarHBondContact O-NZ 3.4Å; C212-K216 WeakPolarHBondContact O-CG 3.44Å; C212-K216 PolarHBondContact O-N 3.27Å; E213-K216 WeakPolarHBondContact O-CB 3.36Å; E213-K216 PolarHBondContact O-N 2.96Å; K216-G219 PolarHBondContact O-N 3.46Å
217V95.2Very high91.3Very high95 Ų9566.9 Ų66.958%0.57633%0.331SS*.Hα-helixtrans-65.6-39.2178.7170.70000112M173 E213 C215M173-V217 HydrophobicContact SD-CG2 4.47Å; E213-V217 HydrophobicContact CG-CG2 4.41Å; E213-V217 VanDerWaalsContact O-CG2 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.44Å; E213-V217 PolarHBondContact O-N 2.92Å; C215-V217 VanDerWaalsContact C-N 3.35Å; C215-V217 PolarHBondContact O-N 2.81Å
218L94.8Very high91.5Very high45 Ų4569.6 Ų69.624%0.23635%0.345CS..Hα-helixtrans-77-27.9179.7-70.1173.9000113.3K214 C215 Y220 C222 V225K214-L218 HydrophobicContact CD-CD1 4.3Å; K214-L218 HydrophobicContact CD-CG 4.43Å; K214-L218 HydrophobicContact CG-CD1 3.99Å; K214-L218 HydrophobicContact CG-CG 4.49Å; K214-L218 WeakPolarHBondContact O-CB 3.07Å; K214-L218 WeakPolarHBondContact O-CG 3.28Å; K214-L218 PolarHBondContact O-N 3.35Å; C215-L218 PolarHBondContact O-N 2.77Å; L218-Y220 HydrophobicContact CB-CD1 3.88Å; L218-Y220 HydrophobicContact CB-CE1 3.78Å; L218-Y220 HydrophobicContact CB-CE2 4.44Å; L218-Y220 HydrophobicContact CB-CG 4.25Å; L218-Y220 HydrophobicContact CD1-CE2 4.05Å; L218-Y220 HydrophobicContact CD2-CE1 4.09Å; L218-Y220 HydrophobicContact CG-CE1 4.37Å; L218-Y220 WeakPolarHBondContact O-CD1 3.22Å; L218-Y220 PolarHBondContact O-N 3.47Å; L218-C222 HydrophobicContact CD1-CB 4.01Å; L218-V225 HydrophobicContact CD1-CG2 3.57Å; L218-V225 HydrophobicContact CD2-CG2 4.43Å
219G94.6Very high91.5Very high70 Ų7069.7 Ų69.772%0.72234%0.34SS*.THydrogen-bonded Turntrans72.83.2-167.200000113.9C215 K216C215-G219 PolarHBondContact O-N 3.23Å; K216-G219 PolarHBondContact O-N 3.46Å
220Y92.1Very high91.3Very high101 Ų10170.1 Ų70.140%0.39634%0.343SS..SBendtrans-148.3173.3178.966.6-94.8000112.4L218 C222 R224 V225L218-Y220 HydrophobicContact CB-CD1 3.88Å; L218-Y220 HydrophobicContact CB-CE1 3.78Å; L218-Y220 HydrophobicContact CB-CE2 4.44Å; L218-Y220 HydrophobicContact CB-CG 4.25Å; L218-Y220 HydrophobicContact CD1-CE2 4.05Å; L218-Y220 HydrophobicContact CD2-CE1 4.09Å; L218-Y220 HydrophobicContact CG-CE1 4.37Å; L218-Y220 WeakPolarHBondContact O-CD1 3.22Å; L218-Y220 PolarHBondContact O-N 3.47Å; Y220-C222 PolarHBondContact O-N 2.87Å; Y220-R224 HydrophobicContact CD2-CB 4.48Å; Y220-R224 HydrophobicContact CE2-CB 4.22Å; Y220-V225 HydrophobicContact CE2-CG2 4.14Å
221Y90.6Very high91.1Very high33 Ų3366.7 Ų66.713%0.12933%0.328CS..  trans-58.5114.4-176-173.4-134.2000113.8H207 Q209 R223 R224H207-Y221 AromaticContact CE1-CD2 3.96Å; H207-Y221 AromaticContact CE1-CE2 3.65Å; H207-Y221 AromaticContact ND1-CE2 3.44Å; H207-Y221 WeakPolarHBondContact ND1-CE2 3.42Å; Q209-Y221 HydrophobicContact CG-CD2 4.15Å; Y221-R223 HydrophobicContact CD1-CB 3.93Å; Y221-R223 HydrophobicContact CD1-CG 4.49Å; Y221-R223 HydrophobicContact CE1-CB 3.5Å; Y221-R223 VanDerWaalsContact CE1-CB 3.5Å; Y221-R223 HydrophobicContact CE1-CG 3.78Å; Y221-R223 HydrophobicContact CE2-CB 4.47Å; Y221-R223 HydrophobicContact CE2-CG 4.01Å; Y221-R223 PolarHBondContact O-N 3.04Å; Y221-R223 VanDerWaalsContact O-N 3.13Å; Y221-R223 WeakPolarHBondContact OH-CD 3.47Å; Y221-R223 VanDerWaalsContact OH-CZ 3.24Å; Y221-R223 PolarHBondContact OH-NE 2.94Å; Y221-R223 PolarHBondContact OH-NH1 3.13Å; Y221-R224 HydrophobicContact CD1-CG 4.28Å; Y221-R224 WeakPolarHBondContact O-CB 3.31Å; Y221-R224 PolarHBondContact O-N 2.78Å
222C91.6Very high90.8Very high0 Ų070.2 Ų70.20%035%0.345CS..G310 helixtrans-66-19.2-172.473.50000114.8W170 H207 K214 C215 L218 Y220 R224 V225W170-C222 HydrophobicContact CZ2-CB 4.5Å; W170-C222 VanDerWaalsContact CZ2-O 3.3Å; W170-C222 WeakPolarHBondContact CZ2-O 3.48Å; W170-C222 PolarHBondContact NE1-SG 3.48Å; H207-C222 PolarHBondContact CE1-SG 3.13Å; K214-C222 HydrophobicContact CB-CB 4.15Å; K214-C222 HydrophobicContact CG-CB 3.7Å; C215-C222 VanDerWaalsContact SG-CB 3.54Å; C215-C222 PolarHBondContact SG-N 3.17Å; C215-C222 VanDerWaalsContact SG-N 3.37Å; L218-C222 HydrophobicContact CD1-CB 4.01Å; Y220-C222 PolarHBondContact O-N 2.87Å; C222-R224 PolarHBondContact O-N 2.74Å; C222-V225 WeakPolarHBondContact O-CB 3.45Å; C222-V225 PolarHBondContact O-N 2.57Å; C222-V225 VanDerWaalsContact O-N 3.15Å
223R87.8Confident90.4Very high56 Ų5675.1 Ų75.121%0.21137%0.369CS..G310 helixtrans-68.1-14.3177.3-61.4-164.6-170.2167.64.2113.4N168 Q203 K205 Y221N168-R223 PolarHBondContact ND2-NH2 3.33Å; N168-R223 VanDerWaalsContact OD1-CG 3.22Å; N168-R223 WeakPolarHBondContact OD1-CG 3.07Å; N168-R223 PolarHBondContact OD1-NE 3.33Å; Q203-R223 PolarHBondContact O-NH1 2.94Å; K205-R223 VanDerWaalsContact O-CZ 3.28Å; K205-R223 PolarHBondContact O-NH1 3.04Å; K205-R223 PolarHBondContact O-NH2 3.43Å; Y221-R223 HydrophobicContact CD1-CB 3.93Å; Y221-R223 HydrophobicContact CD1-CG 4.49Å; Y221-R223 HydrophobicContact CE1-CB 3.5Å; Y221-R223 VanDerWaalsContact CE1-CB 3.5Å; Y221-R223 HydrophobicContact CE1-CG 3.78Å; Y221-R223 HydrophobicContact CE2-CB 4.47Å; Y221-R223 HydrophobicContact CE2-CG 4.01Å; Y221-R223 PolarHBondContact O-N 3.04Å; Y221-R223 VanDerWaalsContact O-N 3.13Å; Y221-R223 WeakPolarHBondContact OH-CD 3.47Å; Y221-R223 VanDerWaalsContact OH-CZ 3.24Å; Y221-R223 PolarHBondContact OH-NE 2.94Å; Y221-R223 PolarHBondContact OH-NH1 3.13Å
224R87.9Confident89.9Confident189 Ų18977.1 Ų77.171%0.71338%0.379SS*.G310 helixtrans-72.4-19173.7-62.7-176.9-175.81741.6112.6Y220 Y221 C222Y220-R224 HydrophobicContact CD2-CB 4.48Å; Y220-R224 HydrophobicContact CE2-CB 4.22Å; Y221-R224 HydrophobicContact CD1-CG 4.28Å; Y221-R224 WeakPolarHBondContact O-CB 3.31Å; Y221-R224 PolarHBondContact O-N 2.78Å; C222-R224 PolarHBondContact O-N 2.74Å
225V81.7Confident89.4Confident42 Ų4279.8 Ų79.826%0.25540%0.395SS..  trans-80.8120.1171.8-173.20000106.7W170 L218 Y220 C222W170-V225 HydrophobicContact CH2-CB 3.85Å; W170-V225 HydrophobicContact CH2-CG1 3.95Å; W170-V225 VanDerWaalsContact CH2-O 3.28Å; W170-V225 WeakPolarHBondContact CH2-O 3.35Å; W170-V225 HydrophobicContact CZ2-CB 4.29Å; W170-V225 HydrophobicContact CZ3-CG1 4.18Å; L218-V225 HydrophobicContact CD1-CG2 3.57Å; L218-V225 HydrophobicContact CD2-CG2 4.43Å; Y220-V225 HydrophobicContact CE2-CG2 4.14Å; C222-V225 WeakPolarHBondContact O-CB 3.45Å; C222-V225 PolarHBondContact O-N 2.57Å; C222-V225 VanDerWaalsContact O-N 3.15Å
226Q65.4Low88.8Confident212 Ų21286.6 Ų86.699%0.99143%0.428SS*.  trans-94.90177.6-79.7-174.9-4.300111.8

Retrieved 226 of 226 residues in 118.1 ms (Link to these results)