A0A087X2N1_POEFO Loading...

FEZ family zinc finger 2

AlphaFold DB , UniProt , Accession A0A087X2N1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1N41.6Very low28.9Very low218 Ų218125.9 Ų125.9100%1.16682%0.822SS**  097.10-614000108.2
2S27.1Very low28.9Very low120 Ų120127.8 Ų127.884%0.83982%0.818SS**  trans-109.4137.2-171.9-56.60000109.8
3A30.6Very low28.6Very low100 Ų100130.8 Ų130.883%0.82682%0.815SS**  trans34.7135.5151.400000119.3
4C27.9Very low28.4Very low109 Ų109130.1 Ų130.174%0.73681%0.81SS**  164.7176.960.8-159.80000109.3
5L28.3Very low28.2Very low149 Ų149130 Ų13078%0.7881%0.808SS**  trans72.9151.5163.9-54.5173.8000117.9
6M29.8Very low28.2Very low166 Ų166134.1 Ų134.182%0.81882%0.817SS**  cis-170.4153.9-36.6-114-63.5-147.900109.1
7A26.1Very low28.1Very low78 Ų78133 Ų13365%0.64582%0.817SS**  trans37.5106.7148.500000123.5
8S27.1Very low28Very low119 Ų119133.3 Ų133.383%0.83282%0.823SS**  40.6124.7122.962.10000124.3
9S27Very low27.8Very low124 Ų124130.3 Ų130.387%0.86782%0.822SS**  trans-162.1162.5152.155.50000108.8
10A26.9Very low27.9Very low90 Ų90136.3 Ų136.374%0.74483%0.828SS**  cis-164.8177.5-25.200000109.6
11S26Very low27.9Very low112 Ų112137 Ų13778%0.78383%0.832SS**  trans71.1154.9168.4-60.40000119.2
12L28.5Very low27Very low148 Ų148129.8 Ų129.878%0.77581%0.81SS**  cis179.1157.3-38.7-117.9162.9000105.9
13E25.1Very low27.7Very low167 Ų167130.3 Ų130.378%0.7881%0.81SS**  trans-56.5159.3-169.2-57.9157.3139.900116.5
14T25.6Very low27.4Very low122 Ų122131.7 Ų131.775%0.74881%0.814SS**  162115.7114.2-69.90000114
15V25.6Very low27.2Very low128 Ų128130.2 Ų130.278%0.77682%0.818SS**  trans44.9125.6142-177.90000121
16M28.7Very low27Very low195 Ų195127.6 Ų127.696%0.96182%0.817SS**  -160.4145.9120-105.2-172.4-163.900112.9
17S26Very low27.4Very low116 Ų116124.6 Ų124.681%0.81181%0.81SS**  trans-145.1132.4179.41750000109.9
18C25.8Very low27.5Very low138 Ų138130.1 Ų130.193%0.93282%0.819SS**  trans-165.5150.2167.6-91.60000106.4
19G24.7Very low27.5Very low77 Ų77129 Ų12979%0.79481%0.811SS**  cis179.3152.6-3.100000108.2
20R29Very low27.4Very low250 Ų250130.5 Ų130.594%0.94381%0.809SS**  trans-96.3148-175.8-71.3176.5169.6-177.1-2.9113
21T28.1Very low27.3Very low150 Ų150129.7 Ų129.792%0.9280%0.802SS**  trans-151.7150.7140.342.30000111.3
22G24.1Very low27.1Very low68 Ų68132.9 Ų132.970%0.70180%0.802SS**  trans-112.8-155.416500000110.2
23P40Very low26.9Very low130 Ų130130.5 Ų130.584%0.84480%0.799SS**  cis-146.6-172.216.943.6-23.7000117.7
24S24.9Very low27Very low130 Ų130130.7 Ų130.791%0.90980%0.803SS**  trans86.2132.6149.6-152.80000121
25G23.9Very low27Very low78 Ų78131.6 Ų131.680%0.80480%0.803SS**  trans141.458.3171.600000116.9
26A23.8Very low27Very low94 Ų94135.8 Ų135.878%0.77781%0.805SS**  trans-96.6175.717000000109.9
27P39.1Very low26.8Very low102 Ų102133.8 Ų133.866%0.66280%0.797SS**  cis-154.7-176.820.446.4-25.2000119.9
28K28.6Very low26.7Very low194 Ų194136.3 Ų136.384%0.84380%0.798SS**  trans83.3132.8157.5-61.7171.7-166.5179.20118.3
29S25.5Very low26.8Very low95 Ų95134.2 Ų134.266%0.66479%0.785SS**  cis-164.7136.4-3.345.90000114.8
30L26.2Very low26.8Very low156 Ų156140.5 Ų140.582%0.81779%0.79SS**  trans60.4119.8139.7-57.9171.2000118.6
31A23.2Very low26.5Very low73 Ų73133.4 Ų133.460%0.60378%0.779SS**  cis63.313920.700000114.2
32F23.3Very low26.4Very low179 Ų179131.2 Ų131.279%0.78577%0.77SS**  cis-138.715214.2-86.6-94.6000109.4
33S24.9Very low26.5Very low99 Ų99136.7 Ų136.769%0.69278%0.777SS**  51.4136.681.7-39.50000116.9
34I26.3Very low26.2Very low171 Ų171135.3 Ų135.388%0.87777%0.768SS**  -177.4153.5122.4-93.2157.1000111.9
35D25.4Very low26.2Very low141 Ų141140.5 Ų140.575%0.75477%0.768SS**  trans-86.4148.3-175.4-111.3-54.5000114.8
36R25.5Very low26.2Very low215 Ų215142.4 Ų142.481%0.81177%0.769SS**  45.9122.5127.9-156.4-159.1175.7156.7-5.1120.8
37I24.9Very low26.2Very low153 Ų153141.4 Ų141.479%0.78577%0.768SS**  173.4157.4111.9-86.5177.2000111.3
38M24.2Very low25.5Very low169 Ų169140.9 Ų140.983%0.83377%0.772SS**  trans-75.4156.4-169.6-51.9175.4172.600116.4
39S26.6Very low25.3Very low95 Ų95140.7 Ų140.766%0.66477%0.774SS**  157.9128101.8-76.60000116
40K25.9Very low25.3Very low208 Ų208144.8 Ų144.890%0.90478%0.783SS**  trans62.7160.6154.1-57.6175.5179.3177.30115.4
41S22.2Very low25.2Very low101 Ų101147 Ų14771%0.70678%0.78SS**  cis-151.8172.99.953.20000112.5
42S26.4Very low25.3Very low104 Ų104149.4 Ų149.473%0.72779%0.792SS**  trans63.1109.1143.156.40000122.1
43E25.4Very low25.4Very low183 Ų183149.4 Ų149.486%0.85580%0.795SS**  trans-47161.6135-85.6-176.6-171.500112.5
44P33.3Very low25.5Very low101 Ų101148.2 Ų148.266%0.65680%0.798SS**  cis-155.3171.645.743.1-22.6000120.2
45R25.8Very low25.7Very low240 Ų240149.3 Ų149.391%0.90680%0.797SS**  trans61.9158.6151.5-77.9172.5178.8-174.9-1.6116.8
46S23.8Very low25.6Very low117 Ų117151.8 Ų151.882%0.81880%0.801SS**  cis-169.5166.3-137.30000109.8
47G24.5Very low25.6Very low74 Ų74148.1 Ų148.176%0.76380%0.796SS**  trans95.9120.3167.300000113.2
48A23.8Very low25.6Very low90 Ų90148.7 Ų148.774%0.74480%0.8SS**  cis95.2110.24000000112.7
49E24.9Very low25.4Very low190 Ų190143.8 Ų143.889%0.88879%0.793SS**  trans63.2159158.4-63.7170.313900115.6
50E24.4Very low25.3Very low181 Ų181147.7 Ų147.785%0.84681%0.806SS**  cis-147.4-166.616.1-147.7-168.6139.300112.5
51R24.2Very low25.1Very low203 Ų203144 Ų14477%0.76680%0.804SS**  trans-104.7153.4-162175.8-169.8-167159.10.6111.4
52S25.9Very low25Very low123 Ų123144.9 Ų144.986%0.8681%0.81SS**  trans-174.5154.2142.637.40000113.7
53E25.6Very low25.2Very low180 Ų180145.4 Ų145.484%0.84181%0.812SS**  trans-109.2155.1-170.9-58.6168.5129.200112.4
54G25.7Very low25.2Very low74 Ų74143.8 Ų143.876%0.76381%0.807SS**  trans-153.351.2-171.100000118.4
55K30.4Very low24.7Very low193 Ų193145.2 Ų145.284%0.83982%0.817SS**  trans35.9121.4145.3-60.7170-177.21690121.6
56K24.7Very low24.5Very low194 Ų194139.2 Ų139.284%0.84381%0.81SS**  64.1141.3129.3-78.1-178.2-179.1-176.10119.2
57L24.8Very low24.4Very low137 Ų137142 Ų14272%0.71781%0.812SS**  cis-155.9166.819.2-94.4136.1000111.4
58L24.4Very low24.4Very low166 Ų166146 Ų14687%0.86982%0.815SS**  trans25.4139.4149.6-50.8170.2000120.4
59G21.3Very low24.5Very low66 Ų66146.8 Ų146.868%0.6881%0.812SS**  cis160.3168.5300000111.1
60L23.1Very low24.4Very low177 Ų177146.3 Ų146.393%0.92781%0.814SS**  trans89.6150.9176.8-59.4168.7000119.4
61C21.5Very low24.4Very low130 Ų130145 Ų14588%0.87881%0.809SS**  trans79.1107.8174.5-65.10000119.5
62S21.5Very low24.6Very low119 Ų119141.7 Ų141.783%0.83281%0.813SS**  trans-117.7168156.2-62.60000108
63P31.2Very low24.6Very low116 Ų116144.1 Ų144.175%0.75381%0.808SS**  cis-132.2135.5-9.133.3-14.6000114.3
64I24Very low24.8Very low149 Ų149140 Ų14076%0.76480%0.799SS**  trans-137.7116.1157.5-57.3-179.4000108.9C66I64-C66 PolarHBondContact O-N 3.32Å
65P23Very low25.1Very low131 Ų131145.6 Ų145.685%0.85180%0.799SS**  trans-86.296.9-178.332.5-32.1000111.5
66C21.5Very low25.1Very low113 Ų113142.3 Ų142.376%0.76479%0.79SS**  trans-101.4132.5167.4-64.90000110.3I64I64-C66 PolarHBondContact O-N 3.32Å
67M22.7Very low25.5Very low176 Ų176139.8 Ų139.887%0.86779%0.785SS**  trans-41156.4-178.7-60.3-74.9-17300117
68I23.1Very low25.9Very low159 Ų159139.6 Ų139.682%0.81578%0.781SS**  172.1172.8114.2-69.5149.1000105.6
69P27.2Very low26.2Very low105 Ų105133.9 Ų133.968%0.68276%0.757SS**  -111.8122.4-98.838.6-16.4000115.4Q71P69-Q71 PolarHBondContact O-N 2.93Å
70L22.9Very low26.8Very low180 Ų180137.8 Ų137.894%0.94276%0.756SS**  trans-82.9121.1169.9-72.1178.5000112.2
71Q23.5Very low27.2Very low155 Ų155132 Ų13272%0.72473%0.734SS**  trans-70.9147.4175.1-71.8-152.9-23.800112.4P69 F73P69-Q71 PolarHBondContact O-N 2.93Å; Q71-F73 PolarHBondContact O-N 2.84Å
72P27.9Very low27.8Very low132 Ų132132 Ų13286%0.85772%0.724SS**  trans-82.898.2-17933-33.7000111.7
73F25.7Very low28.4Very low175 Ų175132.2 Ų132.277%0.76871%0.713SS**  trans-104.5153.6166.1-97.6-89000112.4Q71Q71-F73 PolarHBondContact O-N 2.84Å
74S31Very low28.6Very low92 Ų92132 Ų13264%0.64371%0.706SS**SBendtrans92.9-7.3167.879.50000121.5
75Y31.5Very low29Very low192 Ų192133 Ų13375%0.75370%0.701SS**Hα-helixtrans-79.3-23.2172.8-81-78.9000115L77 A79Y75-L77 PolarHBondContact O-N 3.4Å; Y75-A79 PolarHBondContact O-N 2.9Å
76D30.8Very low29.5Very low124 Ų124128.3 Ų128.366%0.66367%0.671SS**Hα-helixtrans-73.6-24.1-180-86.8-34.5000114.5K80D76-K80 WeakPolarHBondContact O-CG 3.33Å; D76-K80 PolarHBondContact O-N 3.18Å
77L31.9Very low30.1Very low141 Ų141127.2 Ų127.274%0.73866%0.655SS**Hα-helixtrans-71.8-40.6-179.4-124.275.6000111.6Y75 K80 A81Y75-L77 PolarHBondContact O-N 3.4Å; L77-K80 PolarHBondContact O-N 3.09Å; L77-A81 PolarHBondContact O-N 3.24Å; L77-A81 VanDerWaalsContact O-N 3.12Å
78Q33.2Very low30.7Very low133 Ų133124.3 Ų124.362%0.62164%0.642SS**Hα-helixtrans-69.3-36.6174.3-71.7-178.5-9.300111.8A81 L82Q78-A81 PolarHBondContact O-N 3.32Å; Q78-L82 PolarHBondContact O-N 2.75Å
79A32.5Very low31.2Very low46 Ų46125.1 Ų125.138%0.3864%0.635SS.*Hα-helixtrans-62.4-43.7174.700000112.1Y75 L82 M83Y75-A79 PolarHBondContact O-N 2.9Å; A79-L82 PolarHBondContact O-N 3.4Å; A79-M83 VanDerWaalsContact O-CG 3.3Å; A79-M83 WeakPolarHBondContact O-CG 3.31Å; A79-M83 PolarHBondContact O-N 3.34Å
80K33.5Very low31.5Very low149 Ų149125.9 Ų125.965%0.64863%0.625SS**Hα-helixtrans-64.4-38.9175.1-76.5178177.3176.50112.8D76 L77 M83 N84D76-K80 WeakPolarHBondContact O-CG 3.33Å; D76-K80 PolarHBondContact O-N 3.18Å; L77-K80 PolarHBondContact O-N 3.09Å; K80-M83 PolarHBondContact O-N 3.02Å; K80-N84 PolarHBondContact O-N 2.91Å; K80-N84 VanDerWaalsContact O-N 3.12Å
81A31.6Very low31.9Very low56 Ų56120 Ų12046%0.46360%0.602SS.*Hα-helixtrans-63.3-42.8176.400000112.8L77 Q78 N84 Y85L77-A81 PolarHBondContact O-N 3.24Å; L77-A81 VanDerWaalsContact O-N 3.12Å; Q78-A81 PolarHBondContact O-N 3.32Å; A81-N84 PolarHBondContact O-N 3.06Å; A81-Y85 PolarHBondContact O-N 3.29Å; A81-Y85 VanDerWaalsContact O-N 3.11Å
82L34.4Very low32.5Very low128 Ų128116.7 Ų116.767%0.6760%0.596SS**Hα-helixtrans-69.2-36.3177.8-73.6167.8000112.9Q78 A79 Y85 S86Q78-L82 PolarHBondContact O-N 2.75Å; A79-L82 PolarHBondContact O-N 3.4Å; L82-Y85 PolarHBondContact O-N 2.89Å; L82-S86 PolarHBondContact O-N 3.31Å
83M33Very low32.8Very low125 Ų125116.2 Ų116.262%0.61659%0.586SS**Hα-helixtrans-63.7-43.8174.7-70.7-68.3-79.100111.4A79 K80 Y85 S86 E87A79-M83 VanDerWaalsContact O-CG 3.3Å; A79-M83 WeakPolarHBondContact O-CG 3.31Å; A79-M83 PolarHBondContact O-N 3.34Å; K80-M83 PolarHBondContact O-N 3.02Å; M83-Y85 VanDerWaalsContact C-N 3.33Å; M83-Y85 PolarHBondContact O-N 3.11Å; M83-S86 PolarHBondContact O-N 3.03Å; M83-S86 VanDerWaalsContact O-N 3.11Å; M83-S86 PolarHBondContact O-OG 2.79Å; M83-E87 PolarHBondContact O-N 3.29Å
84N35.8Very low33.2Very low111 Ų111117 Ų11759%0.59458%0.584SS**Hα-helixtrans-60.1-39.1173.3-84.41.7000112.6K80 A81 S86 E87 L88K80-N84 PolarHBondContact O-N 2.91Å; K80-N84 VanDerWaalsContact O-N 3.12Å; A81-N84 PolarHBondContact O-N 3.06Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.16Å; N84-E87 PolarHBondContact O-N 2.97Å; N84-L88 WeakPolarHBondContact O-CB 3.37Å; N84-L88 WeakPolarHBondContact O-CG 3.39Å; N84-L88 PolarHBondContact O-N 2.86Å
85Y32Very low33.5Very low170 Ų170115.7 Ų115.767%0.66758%0.584SS**Hα-helixtrans-61.7-39.2173.9-118.5-88.6000112.2A81 L82 M83 W89A81-Y85 PolarHBondContact O-N 3.29Å; A81-Y85 VanDerWaalsContact O-N 3.11Å; L82-Y85 PolarHBondContact O-N 2.89Å; M83-Y85 VanDerWaalsContact C-N 3.33Å; M83-Y85 PolarHBondContact O-N 3.11Å; Y85-W89 PolarHBondContact O-N 3.14Å
86S34.3Very low33.7Very low32 Ų32111.2 Ų111.222%0.22458%0.577CS.*Hα-helixtrans-69.8-34.2177.183.40000113.2L82 M83 N84 W89 R90L82-S86 PolarHBondContact O-N 3.31Å; M83-S86 PolarHBondContact O-N 3.03Å; M83-S86 VanDerWaalsContact O-N 3.11Å; M83-S86 PolarHBondContact O-OG 2.79Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.16Å; S86-W89 PolarHBondContact O-N 3.24Å; S86-R90 WeakPolarHBondContact O-CG 3.3Å; S86-R90 PolarHBondContact O-N 3.1Å; S86-R90 PolarHBondContact OG-NH1 3.37Å
87E32.4Very low33.6Very low91 Ų91115.2 Ų115.243%0.42559%0.589SS.*Hα-helixtrans-75-35.8174.7-72.7-53.6124.800112.4M83 N84 W89 R90 A91M83-E87 PolarHBondContact O-N 3.29Å; N84-E87 PolarHBondContact O-N 2.97Å; E87-W89 VanDerWaalsContact C-N 3.31Å; E87-W89 PolarHBondContact O-N 3.4Å; E87-R90 CarbonylContact O-C 3.53Å; E87-R90 PolarHBondContact O-N 3.16Å; E87-R90 WeakPolarHBondContact OE1-CD 3.48Å; E87-R90 IonicContact OE1-CZ 3.18Å; E87-R90 IonicContact OE1-NE 3.53Å; E87-R90 IonicContact OE1-NH1 2.79Å; E87-R90 PolarHBondContact OE1-NH1 3.16Å; E87-A91 VanDerWaalsContact O-CB 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.21Å; E87-A91 PolarHBondContact O-N 3.33Å
88L35.8Very low33.4Very low114 Ų114115 Ų11560%0.59760%0.597SS**Hα-helixtrans-61.4-39.4169.2-76.1164.8000111.5N84 A91 S92N84-L88 WeakPolarHBondContact O-CB 3.37Å; N84-L88 WeakPolarHBondContact O-CG 3.39Å; N84-L88 PolarHBondContact O-N 2.86Å; L88-A91 PolarHBondContact O-N 3.31Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 2.88Å
89W33.7Very low33.3Very low176 Ų176111.6 Ų111.667%0.66760%0.598SS**Hα-helixtrans-64.6-42.5172.4-115.974.5000112.9Y85 S86 E87 A91 S92 L93Y85-W89 PolarHBondContact O-N 3.14Å; S86-W89 PolarHBondContact O-N 3.24Å; E87-W89 VanDerWaalsContact C-N 3.31Å; E87-W89 PolarHBondContact O-N 3.4Å; W89-A91 VanDerWaalsContact C-N 3.3Å; W89-A91 PolarHBondContact O-N 2.95Å; W89-S92 PolarHBondContact O-N 3.4Å; W89-L93 HydrophobicContact CE3-CD1 3.89Å; W89-L93 HydrophobicContact CZ3-CD1 4.11Å; W89-L93 PolarHBondContact O-N 3.3Å; W89-L93 VanDerWaalsContact O-N 3.15Å
90R33Very low33.3Very low121 Ų121115.1 Ų115.146%0.45762%0.62SS.*Hα-helixtrans-70.8-22.1174.6-71.3-179.6-167.799.814.6113.5S86 E87 R94S86-R90 WeakPolarHBondContact O-CG 3.3Å; S86-R90 PolarHBondContact O-N 3.1Å; S86-R90 PolarHBondContact OG-NH1 3.37Å; E87-R90 CarbonylContact O-C 3.53Å; E87-R90 PolarHBondContact O-N 3.16Å; E87-R90 WeakPolarHBondContact OE1-CD 3.48Å; E87-R90 IonicContact OE1-CZ 3.18Å; E87-R90 IonicContact OE1-NE 3.53Å; E87-R90 IonicContact OE1-NH1 2.79Å; E87-R90 PolarHBondContact OE1-NH1 3.16Å; R90-R94 PolarHBondContact O-N 2.96Å; R90-R94 PolarHBondContact O-NE 2.89Å
91A32Very low33.6Very low56 Ų56114.7 Ų114.746%0.46363%0.63SS.*Hα-helixtrans-77.1-46.8172.900000110.6E87 L88 W89 L93 R94 G95E87-A91 VanDerWaalsContact O-CB 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.21Å; E87-A91 PolarHBondContact O-N 3.33Å; L88-A91 PolarHBondContact O-N 3.31Å; W89-A91 VanDerWaalsContact C-N 3.3Å; W89-A91 PolarHBondContact O-N 2.95Å; A91-L93 VanDerWaalsContact C-N 3.3Å; A91-L93 PolarHBondContact O-N 3.27Å; A91-R94 PolarHBondContact O-N 2.89Å; A91-G95 PolarHBondContact O-N 3.43Å
92S36.1Very low34.1Very low86 Ų86117 Ų11760%0.60165%0.649SS**Hα-helixtrans-56.9-41.4174.5-65.50000112.5L88 W89 R94 G95L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 2.88Å; W89-S92 PolarHBondContact O-N 3.4Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 3.31Å; S92-G95 PolarHBondContact O-N 2.8Å
93L33.8Very low34.1Very low123 Ų123115.1 Ų115.164%0.64465%0.652SS**THydrogen-bonded Turntrans-74.8-12.4177.1-75.5167.5000114.7W89 A91W89-L93 HydrophobicContact CE3-CD1 3.89Å; W89-L93 HydrophobicContact CZ3-CD1 4.11Å; W89-L93 PolarHBondContact O-N 3.3Å; W89-L93 VanDerWaalsContact O-N 3.15Å; A91-L93 VanDerWaalsContact C-N 3.3Å; A91-L93 PolarHBondContact O-N 3.27Å
94R34Very low34.3Very low192 Ų192115.1 Ų115.173%0.72566%0.661SS**THydrogen-bonded Turntrans-90.9-4.9172.6-86.3-174-93.6-141.55.6113.5R90 A91 S92R90-R94 PolarHBondContact O-N 2.96Å; R90-R94 PolarHBondContact O-NE 2.89Å; A91-R94 PolarHBondContact O-N 2.89Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 3.31Å
95G37.8Very low34.2Very low63 Ų63114.8 Ų114.865%0.64967%0.667SS**SBendtrans-103.1-11.1-174.300000116.6A91 S92A91-G95 PolarHBondContact O-N 3.43Å; S92-G95 PolarHBondContact O-N 2.8Å
96T35.8Very low34.7Very low99 Ų99116.3 Ų116.361%0.60768%0.677SS**  trans-142.6105.6-170.542.70000113.4
97F29.9Very low35.1Very low208 Ų208118 Ų11891%0.91270%0.699SS**  trans178.675.3130.3-94-62.6000109.5
98C26.9Very low35.7Very low135 Ų135121.8 Ų121.891%0.91272%0.723SS**  trans-91.399.8154.9-1720000106.9
99G32Very low35.7Very low62 Ų62119.9 Ų119.964%0.63972%0.718SS**  trans-89.1107.518000000111.4
100S31.1Very low36.2Very low121 Ų121115.6 Ų115.685%0.84673%0.728SS**  trans-167.1140.3152.1-810000110.1
101T40.7Very low36.5Very low139 Ų139116.1 Ų116.185%0.85375%0.745SS**SBendtrans-70.4140.6-179.941.70000112.5
102A42.2Very low36.7Very low104 Ų104118.6 Ų118.686%0.8676%0.757SS**SBendtrans63.774.3161.700000119.1
103A35Very low36.7Very low89 Ų89118.6 Ų118.674%0.73676%0.763SS**  trans176.9150.9138.400000111.1
104P35.5Very low36.8Very low125 Ų125124.3 Ų124.381%0.81278%0.776SS**  trans-74.6127.8170.429.3-30.9000111.1K106P104-K106 PolarHBondContact O-N 3.24Å; P104-K106 VanDerWaalsContact O-N 3.1Å
105C34.5Very low36.5Very low105 Ų105119.8 Ų119.871%0.70978%0.78SS**  trans-65108.4177.9178.50000111.2G107C105-G107 PolarHBondContact O-N 2.71Å
106K41.8Very low36Very low201 Ų201124.5 Ų124.587%0.87479%0.79SS**  trans-68.3119.8159.7-70.9-177.5178.3179.50107.4P104 N108P104-K106 PolarHBondContact O-N 3.24Å; P104-K106 VanDerWaalsContact O-N 3.1Å; K106-N108 PolarHBondContact O-N 3.22Å
107G44.4Very low36.1Very low68 Ų68125.2 Ų125.270%0.70180%0.799SS**SBendtrans-58.4121.1-159.800000114.6C105C105-G107 PolarHBondContact O-N 2.71Å
108N44.9Very low36.1Very low171 Ų171121 Ų12191%0.91479%0.791SS**  trans-165.756151.1-107.4-2.2000110.9K106K106-N108 PolarHBondContact O-N 3.22Å
109C35.1Very low36.2Very low73 Ų73123 Ų12349%0.49379%0.791SS.*  trans-105.3129.6166.386.10000110.1V111 C112C109-V111 PolarHBondContact O-N 2.79Å; C109-C112 VanDerWaalsContact SG-SG 3.66Å
110G43.5Very low36.1Very low86 Ų86129.9 Ų129.989%0.88780%0.803SS**THydrogen-bonded Turntrans-71.721.2-171.200000116.2
111V39.5Very low36Very low133 Ų133132.8 Ų132.881%0.80680%0.803SS**THydrogen-bonded Turntrans-110.2-18.5-177.1-171.80000112C109C109-V111 PolarHBondContact O-N 2.79Å
112C36.5Very low35.2Very low107 Ų107132 Ų13272%0.72380%0.801SS**SBendtrans-90.5-6.1-176.7-57.70000114.7C109 R114C109-C112 VanDerWaalsContact SG-SG 3.66Å; C112-R114 PolarHBondContact O-N 3.12Å
113A35.3Very low34.7Very low87 Ų87133.2 Ų133.272%0.71980%0.797SS**  trans-95.771.8-171.700000113
114R35.8Very low34.3Very low243 Ų243134.8 Ų134.892%0.91780%0.8SS**  trans-179.590.2151.3-102.6159.9-174.4-175.61.9111.3C112C112-R114 PolarHBondContact O-N 3.12Å
115A29.1Very low33.9Very low97 Ų97134.7 Ų134.780%0.80280%0.797SS**  trans-129.5105.6161.100000107.4
116D26.8Very low33.6Very low162 Ų162136.5 Ų136.587%0.86681%0.805SS**  trans-70.7128.9175-86.2-53000110.3T118D116-T118 PolarHBondContact O-N 3.48Å
117S37Very low33.2Very low114 Ų114130.6 Ų130.680%0.79780%0.801SS**  trans-97.356.3-165.760.60000113.4
118T31.6Very low32.2Very low120 Ų120133 Ų13374%0.73681%0.807SS**  trans-14563.9-179.245.40000115.1D116D116-T118 PolarHBondContact O-N 3.48Å
119L28Very low31.5Very low176 Ų176136.9 Ų136.992%0.92181%0.809SS**  trans-141.3117154.4-115121.4000111.6
120K30.1Very low31Very low207 Ų207139.4 Ų139.490%0.982%0.822SS**PPolyproline II helixtrans-73.5138.3-179.2-70.1179.1175.7178.90110.9
121Q27.9Very low30.2Very low181 Ų181141.5 Ų141.585%0.84682%0.818SS**PPolyproline II helixtrans-74.5144169.2-63.1-176.6-700111.2
122P25.7Very low29.4Very low124 Ų124143.8 Ų143.881%0.80582%0.816SS**PPolyproline II helixtrans-82.1130.6157.4-826.2000110.6
123V30.8Very low28.8Very low129 Ų129144.1 Ų144.178%0.78282%0.817SS**PPolyproline II helixtrans-74.5138.6174176.70000110
124P27.5Very low28.2Very low121 Ų121148.3 Ų148.379%0.78682%0.822SS**PPolyproline II helixtrans-88.1126.5178.233.1-32.2000112.5
125T26.3Very low27.8Very low124 Ų124142 Ų14276%0.76181%0.81SS**  trans-105.9110166.839.10000111.3
126T27.6Very low27.5Very low142 Ų142143.9 Ų143.987%0.87181%0.806SS**SBendtrans33.1114.5148.554.60000119.3
127G32.9Very low27.4Very low77 Ų77144.4 Ų144.479%0.79480%0.802SS**  trans162.719.8158.800000122.3
128S25.2Very low26.8Very low118 Ų118147 Ų14783%0.82580%0.802SS**  trans-162.2136.9165.8-88.10000113.4V130S128-V130 PolarHBondContact O-N 2.77Å
129R28.5Very low26.5Very low253 Ų253146.2 Ų146.296%0.95581%0.808SS**  trans-70.4110174.5-81.7-179.6172.5170.9-2.5110.1
130V25.2Very low26.3Very low126 Ų126143.2 Ų143.276%0.76480%0.796SS**  trans-96119.41601790000108S128 K132S128-V130 PolarHBondContact O-N 2.77Å; V130-K132 PolarHBondContact O-N 3.2Å; V130-K132 VanDerWaalsContact O-N 3.17Å
131V26.2Very low26.4Very low131 Ų131138.2 Ų138.279%0.79479%0.794SS**  trans-67.4111170.4177.70000107.8P133V131-P133 WeakPolarHBondContact O-CD 3.05Å
132K23.4Very low26.3Very low180 Ų180135.3 Ų135.378%0.78379%0.788SS**  trans-72.5124.6170.7-70.9-179.4178.1178.40108.8V130 Q134V130-K132 PolarHBondContact O-N 3.2Å; V130-K132 VanDerWaalsContact O-N 3.17Å; K132-Q134 PolarHBondContact O-N 3.44Å
133P24Very low26.4Very low114 Ų114135 Ų13574%0.7479%0.786SS**  trans-69117158.727.8-28.6000108.2V131 V135V131-P133 WeakPolarHBondContact O-CD 3.05Å; P133-V135 PolarHBondContact O-N 3.34Å
134Q23.7Very low26.8Very low175 Ų175134.6 Ų134.682%0.81879%0.789SS**  trans-70.6111.7166.4-79.7-175-24.800108.5K132 I136K132-Q134 PolarHBondContact O-N 3.44Å; Q134-I136 PolarHBondContact O-N 3.26Å
135V26.1Very low26.9Very low110 Ų110135.1 Ų135.167%0.66779%0.79SS**  trans-84.3102.2166.5-179.90000107.5P133 H137P133-V135 PolarHBondContact O-N 3.34Å; V135-H137 PolarHBondContact O-N 2.86Å
136I23.1Very low27.4Very low138 Ų138132.5 Ų132.571%0.70879%0.787SS**  trans-73.4105.2172-60.3175000107.6Q134 Q138Q134-I136 PolarHBondContact O-N 3.26Å; I136-Q138 PolarHBondContact O-N 3.34Å; I136-Q138 VanDerWaalsContact O-N 3.09Å
137H24.8Very low27.6Very low173 Ų173131.4 Ų131.480%0.80179%0.785SS**  trans-76.689.5168.6-82.5-84.5000109.7V135 A139V135-H137 PolarHBondContact O-N 2.86Å; H137-A139 PolarHBondContact O-N 2.88Å
138Q24.3Very low27.4Very low169 Ų169133.3 Ų133.379%0.7978%0.777SS**  trans-82.1102168.2-154.9168.517.200108.7I136 V140I136-Q138 PolarHBondContact O-N 3.34Å; I136-Q138 VanDerWaalsContact O-N 3.09Å; Q138-V140 PolarHBondContact O-N 3.36Å
139A24.6Very low27.6Very low103 Ų103137.3 Ų137.385%0.85178%0.775SS**  trans-74.4104.7179.700000110.4H137H137-A139 PolarHBondContact O-N 2.88Å
140V24.8Very low27.5Very low112 Ų112134.7 Ų134.768%0.67977%0.766SS**  trans-97.9114170.6-172.90000108.5Q138 V142Q138-V140 PolarHBondContact O-N 3.36Å; V140-V142 HydrophobicContact CG1-CG2 3.78Å
141A31.1Very low27.6Very low103 Ų103134.2 Ų134.285%0.85176%0.759SS**  trans-76.6127.2169.600000109.5
142V26.9Very low27.9Very low119 Ų119132.8 Ų132.872%0.72175%0.747SS**  trans-134.2137.4178.1-173.50000109.7V140V140-V142 HydrophobicContact CG1-CG2 3.78Å
143P28.2Very low28.2Very low117 Ų117132.8 Ų132.876%0.7674%0.743SS**  trans-72.2160.4-175.4-17.432.2000114.6V145P143-V145 PolarHBondContact O-N 2.95Å
144S38.2Very low28.5Very low122 Ų122132.3 Ų132.385%0.85373%0.734SS**  trans-76.2104-17754.50000114.1
145V29.5Very low28.7Very low132 Ų132128.3 Ų128.380%0.872%0.718SS**  trans-140.8114.4160.2-164.60000110.6P143P143-V145 PolarHBondContact O-N 2.95Å
146G37.2Very low29Very low69 Ų69126.5 Ų126.571%0.71171%0.711SS**  trans-93.399.6-174.200000114.1
147S31.8Very low29.4Very low118 Ų118122.4 Ų122.483%0.82570%0.697SS**SBendtrans-162.7-12.4156-85.40000115.9
148L28.8Very low29.8Very low117 Ų117121.2 Ų121.261%0.61369%0.687SS**  trans-91.1-1-175.5-68171.7000115.4Y150 L151 N152L148-Y150 VanDerWaalsContact C-N 3.3Å; L148-Y150 PolarHBondContact O-N 3.23Å; L148-L151 PolarHBondContact O-N 3.03Å; L148-N152 PolarHBondContact O-N 3.42Å
149Y28.9Very low30.2Very low202 Ų202118.5 Ų118.579%0.79267%0.674SS**THydrogen-bonded Turntrans-68.8-15.3-170-94.1-86.2000116.3
150Y25.8Very low30.6Very low198 Ų198120.4 Ų120.478%0.77667%0.665SS**THydrogen-bonded Turntrans-90-23.3178.9-149.4-96.5000113.7L148 L154L148-Y150 VanDerWaalsContact C-N 3.3Å; L148-Y150 PolarHBondContact O-N 3.23Å; Y150-L154 HydrophobicContact CD1-CD1 4.48Å
151L29.3Very low31Very low117 Ų117118 Ų11861%0.61365%0.653SS**Hα-helixtrans-87.2-45.2179.8-68.8171.2000111.2L148 Y153 L154 D155L148-L151 PolarHBondContact O-N 3.03Å; L151-Y153 VanDerWaalsContact C-N 3.26Å; L151-Y153 PolarHBondContact O-N 3.21Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-L154 VanDerWaalsContact O-N 3.11Å; L151-D155 PolarHBondContact O-N 3.48Å
152N32.4Very low31.2Very low100 Ų100118.6 Ų118.654%0.53564%0.638SS.*Hα-helixtrans-67.3-23.9-179.4-68.510.4000113.7L148 S156L148-N152 PolarHBondContact O-N 3.42Å; N152-S156 WeakPolarHBondContact O-CB 3.44Å; N152-S156 PolarHBondContact O-N 2.98Å; N152-S156 PolarHBondContact O-OG 2.87Å
153Y29.8Very low31.8Very low181 Ų181120.2 Ų120.271%0.7164%0.642SS**Hα-helixtrans-71.4-34.9174-169.7-97.2000112.2L151 A157L151-Y153 VanDerWaalsContact C-N 3.26Å; L151-Y153 PolarHBondContact O-N 3.21Å; Y153-A157 WeakPolarHBondContact O-CB 3.35Å; Y153-A157 PolarHBondContact O-N 3.39Å
154L28.6Very low32.1Very low103 Ų103121.2 Ų121.254%0.53964%0.64SS.*Hα-helixtrans-72.5-38.9173.8-68.1170.5000110.9Y150 L151 A157 Y158Y150-L154 HydrophobicContact CD1-CD1 4.48Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-L154 VanDerWaalsContact O-N 3.11Å; L154-A157 PolarHBondContact O-N 3.37Å; L154-Y158 WeakPolarHBondContact O-CB 3.41Å; L154-Y158 PolarHBondContact O-N 2.9Å
155D27.6Very low31.9Very low92 Ų92117.2 Ų117.249%0.49262%0.615SS.*Hα-helixtrans-66.4-44.5-179.9-153.546.4000112.5L151 A157 Y158 Q159L151-D155 PolarHBondContact O-N 3.48Å; D155-A157 PolarHBondContact O-N 3.21Å; D155-Y158 WeakPolarHBondContact O-CB 3.24Å; D155-Y158 PolarHBondContact O-N 3.23Å; D155-Q159 PolarHBondContact O-N 3.48Å
156S34.4Very low32.3Very low72 Ų72113.6 Ų113.650%0.50360%0.604SS.*Hα-helixtrans-65.7-35.1174.2-65.60000113.1N152 Y158 Q160N152-S156 WeakPolarHBondContact O-CB 3.44Å; N152-S156 PolarHBondContact O-N 2.98Å; N152-S156 PolarHBondContact O-OG 2.87Å; S156-Y158 VanDerWaalsContact C-N 3.34Å; S156-Q160 PolarHBondContact O-N 3.46Å
157A30.6Very low32.4Very low51 Ų51118.4 Ų118.442%0.42161%0.608SS.*Hα-helixtrans-70.6-31.3174.500000112.2Y153 L154 D155 S161Y153-A157 WeakPolarHBondContact O-CB 3.35Å; Y153-A157 PolarHBondContact O-N 3.39Å; L154-A157 PolarHBondContact O-N 3.37Å; D155-A157 PolarHBondContact O-N 3.21Å; A157-S161 PolarHBondContact O-N 2.8Å
158Y32.9Very low32.4Very low148 Ų148122.3 Ų122.358%0.5860%0.604SS**Hα-helixtrans-68.8-49.2175.4-161.7-95.3000111L154 D155 S156 Q160 S161 E162L154-Y158 WeakPolarHBondContact O-CB 3.41Å; L154-Y158 PolarHBondContact O-N 2.9Å; D155-Y158 WeakPolarHBondContact O-CB 3.24Å; D155-Y158 PolarHBondContact O-N 3.23Å; S156-Y158 VanDerWaalsContact C-N 3.34Å; Y158-Q160 VanDerWaalsContact C-N 3.35Å; Y158-Q160 PolarHBondContact O-N 3.41Å; Y158-S161 WeakPolarHBondContact O-CA 2.95Å; Y158-S161 WeakPolarHBondContact O-CB 3.24Å; Y158-S161 PolarHBondContact O-N 3Å; Y158-S161 PolarHBondContact O-OG 2.94Å; Y158-E162 HydrophobicContact CE1-CG 4.45Å; Y158-E162 PolarHBondContact O-N 2.96Å; Y158-E162 VanDerWaalsContact O-N 3.16Å
159Q33.1Very low32.6Very low112 Ų112120.8 Ų120.852%0.52360%0.597SS.*Hα-helixtrans-61.4-37.2177.1-71.1-178.5-8.800113.4D155 S161 E162 L163D155-Q159 PolarHBondContact O-N 3.48Å; Q159-S161 PolarHBondContact O-N 3.12Å; Q159-E162 PolarHBondContact O-N 3.06Å; Q159-L163 PolarHBondContact O-N 2.84Å
160Q32.1Very low33.1Very low144 Ų144115.4 Ų115.467%0.67359%0.588SS**Hα-helixtrans-66.6-25.2172.4-76.4-171.7-18.800113.2S156 Y158S156-Q160 PolarHBondContact O-N 3.46Å; Y158-Q160 VanDerWaalsContact C-N 3.35Å; Y158-Q160 PolarHBondContact O-N 3.41Å
161S33.8Very low33.7Very low60 Ų60109.1 Ų109.142%0.4257%0.571SS.*Hα-helixtrans-77-34175.580.80000112.8A157 Y158 Q159 L164 A165A157-S161 PolarHBondContact O-N 2.8Å; Y158-S161 WeakPolarHBondContact O-CA 2.95Å; Y158-S161 WeakPolarHBondContact O-CB 3.24Å; Y158-S161 PolarHBondContact O-N 3Å; Y158-S161 PolarHBondContact O-OG 2.94Å; Q159-S161 PolarHBondContact O-N 3.12Å; S161-L164 PolarHBondContact O-N 3.42Å; S161-A165 VanDerWaalsContact O-CB 3.31Å; S161-A165 WeakPolarHBondContact O-CB 3.4Å; S161-A165 PolarHBondContact O-N 2.86Å
162E35.5Very low34.2Very low116 Ų116108.3 Ų108.354%0.54257%0.572SS.*Hα-helixtrans-66.2-41.9177.3-68.1-166.9134.300112.5Y158 Q159 L164 A165 G166Y158-E162 HydrophobicContact CE1-CG 4.45Å; Y158-E162 PolarHBondContact O-N 2.96Å; Y158-E162 VanDerWaalsContact O-N 3.16Å; Q159-E162 PolarHBondContact O-N 3.06Å; E162-L164 PolarHBondContact O-N 3.32Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-A165 VanDerWaalsContact O-N 3.11Å; E162-G166 PolarHBondContact O-N 2.93Å; E162-G166 VanDerWaalsContact O-N 3.13Å
163L39.4Very low34.4Very low154 Ų154110.6 Ų110.681%0.80658%0.58SS**Hα-helixtrans-61.8-24.1176.4-74.7168.2000113.6Q159Q159-L163 PolarHBondContact O-N 2.84Å
164L35Very low34.7Very low137 Ų137103.1 Ų103.172%0.71756%0.556SS**Hα-helixtrans-94.7-25.4174.1-67.5172.2000112.9S161 E162S161-L164 PolarHBondContact O-N 3.42Å; E162-L164 PolarHBondContact O-N 3.32Å
165A34.3Very low35.2Very low38 Ų38103.6 Ų103.631%0.31456%0.555SS.*Hα-helixtrans-75.6-27.7179.300000113.6S161 E162 H167 W168 L169S161-A165 VanDerWaalsContact O-CB 3.31Å; S161-A165 WeakPolarHBondContact O-CB 3.4Å; S161-A165 PolarHBondContact O-N 2.86Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-A165 VanDerWaalsContact O-N 3.11Å; A165-H167 PolarHBondContact O-N 3.21Å; A165-W168 PolarHBondContact O-N 3.36Å; A165-L169 PolarHBondContact O-N 2.94Å
166G37Very low35.9Very low56 Ų56102.6 Ų102.658%0.57756%0.559SS**THydrogen-bonded Turntrans-54.8-28.1-179.900000114.6E162E162-G166 PolarHBondContact O-N 2.93Å; E162-G166 VanDerWaalsContact O-N 3.13Å
167H38.6Very low36Very low170 Ų170104 Ų10479%0.78757%0.57SS**THydrogen-bonded Turntrans-85.4-14.3178.5-118.7-70.9000114.9A165 S170A165-H167 PolarHBondContact O-N 3.21Å; H167-S170 PolarHBondContact O-OG 3.47Å
168W32.2Very low36.3Very low200 Ų200104 Ų10476%0.75856%0.562SS**THydrogen-bonded Turntrans-92.4-29-179.4-105.782.6000113.1A165 S170 T171A165-W168 PolarHBondContact O-N 3.36Å; W168-S170 VanDerWaalsContact C-N 3.29Å; W168-S170 PolarHBondContact O-N 3.1Å; W168-T171 PolarHBondContact O-OG1 3.43Å
169L33.9Very low36.7Very low86 Ų86100.1 Ų100.145%0.4556%0.556SS.*THydrogen-bonded Turntrans-79-5.3-174.3-76.5161.2000114.8A165 Q175A165-L169 PolarHBondContact O-N 2.94Å; L169-Q175 PolarHBondContact O-NE2 3.06Å
170S38.2Very low36.9Very low88 Ų8898.2 Ų98.262%0.61556%0.56SS**THydrogen-bonded Turntrans-84.5-2.8-178.858.80000114.9H167 W168H167-S170 PolarHBondContact O-OG 3.47Å; W168-S170 VanDerWaalsContact C-N 3.29Å; W168-S170 PolarHBondContact O-N 3.1Å
171T39.7Very low37.2Very low66 Ų6697.7 Ų97.741%0.40556%0.557SS.*SBendtrans-99.5132.6-179.848.80000112.9W168 Q173 A174W168-T171 PolarHBondContact O-OG1 3.43Å; T171-Q173 VanDerWaalsContact C-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.28Å; T171-A174 WeakPolarHBondContact O-CB 3.38Å; T171-A174 PolarHBondContact O-N 3.36Å
172P39Very low37.4Very low100 Ų10099.8 Ų99.865%0.64956%0.56SS**Hα-helixtrans-56.4-35.7179.7-28.636.2000114.6A174 Q175 A176P172-A174 VanDerWaalsContact C-N 3.3Å; P172-A174 PolarHBondContact O-N 3.22Å; P172-Q175 PolarHBondContact O-N 2.86Å; P172-A176 PolarHBondContact O-N 3.08Å
173Q36Very low37.8Very low149 Ų14999.8 Ų99.870%0.69656%0.555SS**Hα-helixtrans-61.9-32175.5-82.776.97.200113.6T171 S177T171-Q173 VanDerWaalsContact C-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.28Å; Q173-S177 PolarHBondContact O-OG 2.95Å
174A37.2Very low38.1Very low24 Ų2497.7 Ų97.720%0.19854%0.544CS..Hα-helixtrans-70.1-43.4178.500000111.1T171 P172 A176 S177T171-A174 WeakPolarHBondContact O-CB 3.38Å; T171-A174 PolarHBondContact O-N 3.36Å; P172-A174 VanDerWaalsContact C-N 3.3Å; P172-A174 PolarHBondContact O-N 3.22Å; A174-A176 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.13Å
175Q39.9Very low38.6Very low112 Ų11294.8 Ų94.852%0.52353%0.529SS..Hα-helixtrans-66.2-37.4179.3-64-175-4.800112.5L169 P172 S177 L178 R183L169-Q175 PolarHBondContact O-NE2 3.06Å; P172-Q175 PolarHBondContact O-N 2.86Å; Q175-S177 PolarHBondContact O-N 3.42Å; Q175-L178 PolarHBondContact O-N 2.81Å; Q175-R183 PolarHBondContact O-NE 3.34Å; Q175-R183 PolarHBondContact O-NH2 3.1Å
176A41.8Very low39.1Very low71 Ų7197.1 Ų97.159%0.58754%0.536SS*.Hα-helixtrans-57-29.4173.500000113.1P172 A174 R183P172-A176 PolarHBondContact O-N 3.08Å; A174-A176 PolarHBondContact O-N 2.96Å; A176-R183 PolarHBondContact O-NH2 3.07Å
177S35.1Very low39.4Very low103 Ų10399.7 Ų99.772%0.7254%0.536SS*.THydrogen-bonded Turntrans-89-8.4-174-55.20000114.7Q173 A174 Q175Q173-S177 PolarHBondContact O-OG 2.95Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-S177 VanDerWaalsContact O-N 3.13Å; Q175-S177 PolarHBondContact O-N 3.42Å
178L38.7Very low39.6Very low51 Ų5197.3 Ų97.327%0.26753%0.525SS..SBendtrans-77.3130.6178.3-75.4165.3000111.8Q175 H182 R183 L186Q175-L178 PolarHBondContact O-N 2.81Å; L178-H182 HydrophobicContact CD2-CB 4.05Å; L178-R183 HydrophobicContact CB-CG 3.99Å; L178-R183 PolarHBondContact O-NE 3.14Å; L178-R183 VanDerWaalsContact O-NE 3.08Å; L178-L186 HydrophobicContact CD1-CD1 3.96Å
179S41.1Very low40Very low65 Ų6592.4 Ų92.446%0.45551%0.514SS..  trans-63149.1173.768.10000111.4H181 H182 R183S179-H181 PolarHBondContact O-N 3.02Å; S179-H181 VanDerWaalsContact O-N 3.07Å; S179-H182 PolarHBondContact O-N 3.37Å; S179-H182 PolarHBondContact OG-ND1 3.23Å; S179-R183 PolarHBondContact O-N 3.42Å
180A37.6Very low40.3Very low73 Ų7391.5 Ų91.560%0.60352%0.518SS*.Hα-helixtrans-52.9-36.2-174.700000113.3R183 L184A180-R183 PolarHBondContact O-N 3.26Å; A180-L184 WeakPolarHBondContact O-CG 3.28Å; A180-L184 PolarHBondContact O-N 2.81Å
181H36.3Very low40.5Very low133 Ų13395.4 Ų95.462%0.61652%0.524SS*.Hα-helixtrans-63.5-39.9176.9-161.577.6000113.1S179 L184 L185S179-H181 PolarHBondContact O-N 3.02Å; S179-H181 VanDerWaalsContact O-N 3.07Å; H181-L184 PolarHBondContact O-N 3.13Å; H181-L185 WeakPolarHBondContact O-CG 3.34Å; H181-L185 PolarHBondContact O-N 2.82Å; H181-L185 VanDerWaalsContact O-N 3.14Å
182H40.1Very low40.7Very low104 Ų10498.7 Ų98.748%0.48154%0.539SS..Hα-helixtrans-69.9-33.9174-74.3100.2000112.3L178 S179 L184 L186L178-H182 HydrophobicContact CD2-CB 4.05Å; S179-H182 PolarHBondContact O-N 3.37Å; S179-H182 PolarHBondContact OG-ND1 3.23Å; H182-L184 VanDerWaalsContact C-N 3.34Å; H182-L186 WeakPolarHBondContact O-CB 3.37Å; H182-L186 VanDerWaalsContact O-CG 3.27Å; H182-L186 WeakPolarHBondContact O-CG 3.31Å; H182-L186 PolarHBondContact O-N 2.94Å
183R43.8Very low40.6Very low116 Ų11698.2 Ų98.244%0.43854%0.543SS..Hα-helixtrans-65.3-38.3175-60.5-170.5-168.3-171.84.2111.8Q175 A176 L178 S179 A180 L186 L187Q175-R183 PolarHBondContact O-NE 3.34Å; Q175-R183 PolarHBondContact O-NH2 3.1Å; A176-R183 PolarHBondContact O-NH2 3.07Å; L178-R183 HydrophobicContact CB-CG 3.99Å; L178-R183 PolarHBondContact O-NE 3.14Å; L178-R183 VanDerWaalsContact O-NE 3.08Å; S179-R183 PolarHBondContact O-N 3.42Å; A180-R183 PolarHBondContact O-N 3.26Å; R183-L186 PolarHBondContact O-N 3.16Å; R183-L187 WeakPolarHBondContact O-CB 3.43Å; R183-L187 WeakPolarHBondContact O-CD1 3.36Å; R183-L187 VanDerWaalsContact O-CG 3.3Å; R183-L187 WeakPolarHBondContact O-CG 3.23Å; R183-L187 PolarHBondContact O-N 3.08Å
184L45.5Very low40.9Very low109 Ų10994.5 Ų94.557%0.57155%0.545SS*.Hα-helixtrans-65.5-47.1175.8-69.8168.9000111.9A180 H181 H182 L186 L187 E188A180-L184 WeakPolarHBondContact O-CG 3.28Å; A180-L184 PolarHBondContact O-N 2.81Å; H181-L184 PolarHBondContact O-N 3.13Å; H182-L184 VanDerWaalsContact C-N 3.34Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 3.06Å; L184-L187 PolarHBondContact O-N 3.22Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L184-E188 WeakPolarHBondContact O-CB 3.41Å; L184-E188 PolarHBondContact O-N 3.42Å
185L44.6Very low40.6Very low77 Ų7797.5 Ų97.540%0.40357%0.57SS.*Hα-helixtrans-59.5-38.6175.8-72.8165.1000112.6H181 E188 N189H181-L185 WeakPolarHBondContact O-CG 3.34Å; H181-L185 PolarHBondContact O-N 2.82Å; H181-L185 VanDerWaalsContact O-N 3.14Å; L185-E188 PolarHBondContact O-N 3.16Å; L185-N189 WeakPolarHBondContact O-CB 3.49Å; L185-N189 VanDerWaalsContact O-CG 3.3Å; L185-N189 PolarHBondContact O-N 3.31Å
186L44.3Very low40.2Very low87 Ų8795.8 Ų95.846%0.45558%0.582SS.*Hα-helixtrans-69.5-36.3175.6-70.9168.6000112.6L178 H182 R183 L184 E188 A190L178-L186 HydrophobicContact CD1-CD1 3.96Å; H182-L186 WeakPolarHBondContact O-CB 3.37Å; H182-L186 VanDerWaalsContact O-CG 3.27Å; H182-L186 WeakPolarHBondContact O-CG 3.31Å; H182-L186 PolarHBondContact O-N 2.94Å; R183-L186 PolarHBondContact O-N 3.16Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 3.06Å; L186-E188 VanDerWaalsContact C-N 3.33Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.2Å; L186-A190 PolarHBondContact O-N 2.83Å
187L44.8Very low40.1Very low109 Ų10998.2 Ų98.257%0.57160%0.595SS**Hα-helixtrans-68.9-31.1173.9-76.3164.6000112.7R183 L184 K191R183-L187 WeakPolarHBondContact O-CB 3.43Å; R183-L187 WeakPolarHBondContact O-CD1 3.36Å; R183-L187 VanDerWaalsContact O-CG 3.3Å; R183-L187 WeakPolarHBondContact O-CG 3.23Å; R183-L187 PolarHBondContact O-N 3.08Å; L184-L187 PolarHBondContact O-N 3.22Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L187-K191 WeakPolarHBondContact O-CG 3.37Å; L187-K191 PolarHBondContact O-N 3.41Å
188E42.7Very low39.9Very low121 Ų121102.2 Ų102.257%0.56560%0.602SS**Hα-helixtrans-73.3-45.9175.6-165.8159.1-157.100110.9L184 L185 L186 A190 K191 L192L184-E188 WeakPolarHBondContact O-CB 3.41Å; L184-E188 PolarHBondContact O-N 3.42Å; L185-E188 PolarHBondContact O-N 3.16Å; L186-E188 VanDerWaalsContact C-N 3.33Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 3.05Å; E188-K191 WeakPolarHBondContact O-CB 3.14Å; E188-K191 PolarHBondContact O-N 3.46Å; E188-K191 VanDerWaalsContact O-N 3.14Å; E188-L192 PolarHBondContact O-N 3.23Å
189N39.7Very low39.6Very low96 Ų96109.2 Ų109.251%0.51363%0.63SS.*Hα-helixtrans-61.5-37.5172.6-70.6-9.1000112.7L185 K191 L192 A193L185-N189 WeakPolarHBondContact O-CB 3.49Å; L185-N189 VanDerWaalsContact O-CG 3.3Å; L185-N189 PolarHBondContact O-N 3.31Å; N189-K191 VanDerWaalsContact C-N 3.28Å; N189-K191 PolarHBondContact O-N 3.46Å; N189-L192 PolarHBondContact O-N 3.36Å; N189-A193 PolarHBondContact O-N 3.17Å
190A40.5Very low38.9Very low67 Ų67114.2 Ų114.255%0.55465%0.651SS**Hα-helixtrans-65.1-28.817600000113.3L186 E188L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.2Å; L186-A190 PolarHBondContact O-N 2.83Å; E188-A190 VanDerWaalsContact C-N 3.32Å; E188-A190 PolarHBondContact O-N 3.05Å
191K41.1Very low38.4Very low170 Ų170115.9 Ų115.974%0.73966%0.656SS**Hα-helixtrans-74.9-32.1172.8-72.5173.4179.3-1780112.5L187 E188 N189 A193L187-K191 WeakPolarHBondContact O-CG 3.37Å; L187-K191 PolarHBondContact O-N 3.41Å; E188-K191 WeakPolarHBondContact O-CB 3.14Å; E188-K191 PolarHBondContact O-N 3.46Å; E188-K191 VanDerWaalsContact O-N 3.14Å; N189-K191 VanDerWaalsContact C-N 3.28Å; N189-K191 PolarHBondContact O-N 3.46Å; K191-A193 VanDerWaalsContact C-N 3.35Å
192L44.9Very low37.8Very low135 Ų135115.9 Ų115.971%0.70767%0.665SS**Hα-helixtrans-75.2-22.2179.2-67.4169.6000113.2E188 N189 G194E188-L192 PolarHBondContact O-N 3.23Å; N189-L192 PolarHBondContact O-N 3.36Å; L192-G194 VanDerWaalsContact C-N 3.25Å; L192-G194 PolarHBondContact O-N 2.89Å
193A37.8Very low37.1Very low90 Ų90115.6 Ų115.674%0.74467%0.673SS**THydrogen-bonded Turntrans-77.1-1.5178.500000114.9N189 K191N189-A193 PolarHBondContact O-N 3.17Å; K191-A193 VanDerWaalsContact C-N 3.35Å
194G40.9Very low36.2Very low71 Ų71119 Ų11973%0.73269%0.694SS**THydrogen-bonded Turntrans-110.1-0.4-167.500000117.4L192L192-G194 VanDerWaalsContact C-N 3.25Å; L192-G194 PolarHBondContact O-N 2.89Å
195A31.9Very low35.1Very low87 Ų87123.4 Ų123.472%0.71970%0.704SS**  trans-124.9125.7-174.300000112.4
196G31.2Very low34.2Very low76 Ų76125.8 Ų125.878%0.78472%0.724SS**  trans-72.1173.5176.700000113.7E198G196-E198 PolarHBondContact O-N 3.07Å
197S39.7Very low33.4Very low122 Ų122129.8 Ų129.885%0.85374%0.74SS**  trans-52.5116.7-17453.30000115.7
198E30Very low33Very low187 Ų187133.2 Ų133.287%0.87475%0.751SS**  trans-158.1144.1138.2-114.8172.4-160.700111.6G196G196-E198 PolarHBondContact O-N 3.07Å
199K33.1Very low32.4Very low198 Ų198135.9 Ų135.986%0.86176%0.763SS**  trans1.6108.5-180-66.4172.9-177.6169.50118.2P201K199-P201 VanDerWaalsContact O-CD 3.29Å; K199-P201 WeakPolarHBondContact O-CD 3.28Å
200L26.6Very low31.8Very low170 Ų170140 Ų14089%0.8978%0.779SS**PPolyproline II helixtrans-61120.5174.4-15285.7000113
201P26.3Very low31.2Very low109 Ų109144.5 Ų144.571%0.70879%0.792SS**PPolyproline II helixtrans-84.4142.9162.6-5.625.2000110.3K199 P203K199-P201 VanDerWaalsContact O-CD 3.29Å; K199-P201 WeakPolarHBondContact O-CD 3.28Å; P201-P203 WeakPolarHBondContact O-CD 3.36Å
202T25.1Very low30.7Very low132 Ų132141.1 Ų141.181%0.8179%0.788SS**PPolyproline II helixtrans-66.6122.5177.6-36.20000111Q204T202-Q204 PolarHBondContact O-N 3.22Å; T202-Q204 VanDerWaalsContact O-N 3.09Å
203P24.9Very low30Very low99 Ų99137.4 Ų137.464%0.64378%0.783SS**  trans-67.9110.2176.7-20.833.9000111.4P201 Y205P201-P203 WeakPolarHBondContact O-CD 3.36Å; P203-Y205 PolarHBondContact O-N 3.42Å
204Q24Very low29.7Very low186 Ų186140.4 Ų140.487%0.86978%0.781SS**  trans-71.6111.9165.1-80.6-179.4-22.900109.1T202T202-Q204 PolarHBondContact O-N 3.22Å; T202-Q204 VanDerWaalsContact O-N 3.09Å
205Y23.4Very low29.3Very low203 Ų203142.6 Ų142.680%0.79678%0.776SS**  trans-67.6128.2168.9-76.6-88.4000110.1P203 H207P203-Y205 PolarHBondContact O-N 3.42Å; Y205-H207 PolarHBondContact O-N 2.79Å; Y205-H207 VanDerWaalsContact O-N 3.11Å
206P26.3Very low29.4Very low126 Ų126143.6 Ų143.682%0.81877%0.769SS**  trans-67.6111.3175.625.7-32.1000110.7
207H27.5Very low29.4Very low171 Ų171145 Ų14579%0.79276%0.755SS**  trans-81.5128.2172.5-111.3-72.7000110.5Y205Y205-H207 PolarHBondContact O-N 2.79Å; Y205-H207 VanDerWaalsContact O-N 3.11Å
208K34.8Very low29.3Very low182 Ų182141.6 Ų141.679%0.79173%0.727SS**  trans70.1139.7176.4-47.1162.3-1761720110.7
209E31Very low29.6Very low177 Ų177136 Ų13683%0.82771%0.705SS**  cis-152.4109.938.4-64.8170.8161.800112.1
210H27.4Very low29.8Very low182 Ų182133.5 Ų133.584%0.84369%0.694SS**  trans-175.3154.8144.5-113.266.6000112.8
211L26.5Very low30.2Very low161 Ų161128.8 Ų128.884%0.84367%0.668SS**SBendtrans76142.3-178.3-70.1119.6000116.4
212P31.2Very low30.7Very low99 Ų99126.8 Ų126.864%0.64365%0.651SS**  -95.4144.7-124.6-12.730.7000115.5Q214 L215P212-Q214 PolarHBondContact O-N 2.86Å; P212-L215 PolarHBondContact O-N 3.29Å
213G30.7Very low31.3Very low58 Ų58127.2 Ų127.260%0.59864%0.644SS**THydrogen-bonded Turntrans-600.8-17500000117.6L215 Q217G213-L215 VanDerWaalsContact C-N 3.25Å; G213-L215 PolarHBondContact O-N 2.83Å; G213-Q217 VanDerWaalsContact O-CB 3.26Å; G213-Q217 WeakPolarHBondContact O-CB 3.31Å; G213-Q217 PolarHBondContact O-N 2.9Å; G213-Q217 VanDerWaalsContact O-N 3.09Å
214Q31.4Very low31.6Very low152 Ų152125.7 Ų125.771%0.7164%0.64SS**Hα-helixtrans-63.1-30.6170.1-70.4-172.5-6.400112.4P212 I218P212-Q214 PolarHBondContact O-N 2.86Å; Q214-I218 VanDerWaalsContact O-CB 3.29Å; Q214-I218 WeakPolarHBondContact O-CB 3.33Å; Q214-I218 VanDerWaalsContact O-CD1 3.23Å; Q214-I218 WeakPolarHBondContact O-CD1 3.24Å; Q214-I218 WeakPolarHBondContact O-CG1 3.35Å; Q214-I218 PolarHBondContact O-N 2.99Å
215L32.5Very low32.2Very low118 Ų118123.5 Ų123.562%0.61863%0.633SS**Hα-helixtrans-72.6-45.8-179-168.362.1000111.9P212 G213 I218 V219P212-L215 PolarHBondContact O-N 3.29Å; G213-L215 VanDerWaalsContact C-N 3.25Å; G213-L215 PolarHBondContact O-N 2.83Å; L215-I218 PolarHBondContact O-N 3.46Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 2.99Å
216D33.7Very low32.9Very low108 Ų108120.7 Ų120.758%0.57863%0.63SS**Hα-helixtrans-64.5-40.3175.5-97.821.5000112.4I218 V219 K220D216-I218 VanDerWaalsContact C-N 3.34Å; D216-V219 PolarHBondContact O-N 3.09Å; D216-K220 WeakPolarHBondContact O-CB 3.31Å; D216-K220 WeakPolarHBondContact O-CG 3.32Å; D216-K220 PolarHBondContact O-N 3.28Å
217Q32.5Very low33.2Very low106 Ų106117.7 Ų117.750%0.49562%0.622SS.*Hα-helixtrans-60.2-45173.5-172.568.421.200110.9G213 K220 E221G213-Q217 VanDerWaalsContact O-CB 3.26Å; G213-Q217 WeakPolarHBondContact O-CB 3.31Å; G213-Q217 PolarHBondContact O-N 2.9Å; G213-Q217 VanDerWaalsContact O-N 3.09Å; Q217-K220 PolarHBondContact O-N 3.41Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.48Å; Q217-E221 PolarHBondContact NE2-OE1 3.01Å; Q217-E221 WeakPolarHBondContact O-CB 3.06Å; Q217-E221 VanDerWaalsContact O-CG 3.31Å; Q217-E221 WeakPolarHBondContact O-CG 3.43Å; Q217-E221 PolarHBondContact O-N 3.34Å
218I35.9Very low33.3Very low49 Ų49117.8 Ų117.825%0.25162%0.623SS.*Hα-helixtrans-65.3-38.4176.2-73165.7000111.6Q214 L215 D216 N222 K299Q214-I218 VanDerWaalsContact O-CB 3.29Å; Q214-I218 WeakPolarHBondContact O-CB 3.33Å; Q214-I218 VanDerWaalsContact O-CD1 3.23Å; Q214-I218 WeakPolarHBondContact O-CD1 3.24Å; Q214-I218 WeakPolarHBondContact O-CG1 3.35Å; Q214-I218 PolarHBondContact O-N 2.99Å; L215-I218 PolarHBondContact O-N 3.46Å; D216-I218 VanDerWaalsContact C-N 3.34Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.13Å; I218-N222 WeakPolarHBondContact O-CB 3.45Å; I218-N222 PolarHBondContact O-N 3.3Å; I218-N222 PolarHBondContact O-ND2 3.26Å; I218-K299 VanDerWaalsContact CD1-NZ 3.31Å
219V36.7Very low33.7Very low71 Ų71118.6 Ų118.643%0.4363%0.626SS.*Hα-helixtrans-65.9-46.3176.6170.40000110.4L215 D216 N222 H223L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 2.99Å; D216-V219 PolarHBondContact O-N 3.09Å; V219-N222 PolarHBondContact O-N 2.88Å; V219-H223 PolarHBondContact O-CD2 3.43Å; V219-H223 VanDerWaalsContact O-CD2 3.3Å; V219-H223 PolarHBondContact O-N 3.43Å
220K37.7Very low33.5Very low145 Ų145117.7 Ų117.763%0.6363%0.628SS**Hα-helixtrans-64.1-45.1177.1-72.4176.2179.1175.60112.8D216 Q217 N222 H223 A224D216-K220 WeakPolarHBondContact O-CB 3.31Å; D216-K220 WeakPolarHBondContact O-CG 3.32Å; D216-K220 PolarHBondContact O-N 3.28Å; Q217-K220 PolarHBondContact O-N 3.41Å; K220-N222 VanDerWaalsContact C-N 3.35Å; K220-N222 PolarHBondContact O-N 2.73Å; K220-H223 PolarHBondContact O-N 2.9Å; K220-A224 PolarHBondContact O-N 3.08Å
221E35.7Very low33.8Very low71 Ų71113.1 Ų113.133%0.33263%0.63SS.*Hα-helixtrans-58.7-43.4174.6-77.3173.9-16200111.6Q217 A224 L225 K283Q217-E221 WeakPolarHBondContact CG-OE1 3.48Å; Q217-E221 PolarHBondContact NE2-OE1 3.01Å; Q217-E221 WeakPolarHBondContact O-CB 3.06Å; Q217-E221 VanDerWaalsContact O-CG 3.31Å; Q217-E221 WeakPolarHBondContact O-CG 3.43Å; Q217-E221 PolarHBondContact O-N 3.34Å; E221-A224 PolarHBondContact O-N 3.35Å; E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 VanDerWaalsContact O-CG 3.24Å; E221-L225 WeakPolarHBondContact O-CG 3.24Å; E221-L225 PolarHBondContact O-N 2.68Å; E221-K283 IonicContact OE2-NZ 2.71Å
222N35.5Very low33.9Very low67 Ų67111.2 Ų111.236%0.35862%0.624SS.*Hα-helixtrans-72.2-27.8178.7-77-69.9000113.7I218 V219 K220 I226I218-N222 WeakPolarHBondContact CG2-ND2 3.13Å; I218-N222 WeakPolarHBondContact O-CB 3.45Å; I218-N222 PolarHBondContact O-N 3.3Å; I218-N222 PolarHBondContact O-ND2 3.26Å; V219-N222 PolarHBondContact O-N 2.88Å; K220-N222 VanDerWaalsContact C-N 3.35Å; K220-N222 PolarHBondContact O-N 2.73Å; N222-I226 WeakPolarHBondContact O-CD1 3.09Å; N222-I226 WeakPolarHBondContact O-CG1 3.36Å
223H37.4Very low34.1Very low140 Ų140115.9 Ų115.965%0.64863%0.634SS**Hα-helixtrans-74.3-36.5172.5-88.2-80.8000112.2V219 K220 I226V219-H223 PolarHBondContact O-CD2 3.43Å; V219-H223 VanDerWaalsContact O-CD2 3.3Å; V219-H223 PolarHBondContact O-N 3.43Å; K220-H223 PolarHBondContact O-N 2.9Å; H223-I226 PolarHBondContact O-N 3.35Å
224A31.2Very low34.1Very low68 Ų68118.2 Ų118.256%0.56264%0.637SS**Hα-helixtrans-65.5-40.9173.900000112.3K220 E221 I226 G227K220-A224 PolarHBondContact O-N 3.08Å; E221-A224 PolarHBondContact O-N 3.35Å; A224-I226 PolarHBondContact O-N 3.05Å; A224-I226 VanDerWaalsContact O-N 3.08Å; A224-G227 PolarHBondContact O-N 3.32Å
225L36.6Very low34.3Very low139 Ų139119.7 Ų119.773%0.72864%0.644SS**THydrogen-bonded Turntrans-67.5-5.1179.6-72.4169.3000115.2E221E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 VanDerWaalsContact O-CG 3.24Å; E221-L225 WeakPolarHBondContact O-CG 3.24Å; E221-L225 PolarHBondContact O-N 2.68Å
226I38.2Very low34.4Very low144 Ų144117.9 Ų117.974%0.73864%0.641SS**THydrogen-bonded Turntrans-93.9-13.8172.5-64.1167.3000111.1N222 H223 A224N222-I226 WeakPolarHBondContact O-CD1 3.09Å; N222-I226 WeakPolarHBondContact O-CG1 3.36Å; H223-I226 PolarHBondContact O-N 3.35Å; A224-I226 PolarHBondContact O-N 3.05Å; A224-I226 VanDerWaalsContact O-N 3.08Å
227G34.3Very low34.3Very low63 Ų63122.7 Ų122.765%0.64966%0.657SS**THydrogen-bonded Turntrans-83.3-24.7-173.900000116.1A224A224-G227 PolarHBondContact O-N 3.32Å
228E28.6Very low34.7Very low173 Ų173124.5 Ų124.581%0.80867%0.669SS**SBendtrans-112.4105-168.9-62.2-154.213300114.3
229K42.3Very low34.5Very low199 Ų199128.3 Ų128.387%0.86570%0.7SS**  trans17.1105.8154-63.4173.8-177.1169.60116.9
230N27.8Very low34.8Very low159 Ų159130.3 Ų130.385%0.8572%0.717SS**  trans-135.3110.5141.6-93-58.7000110.1V232N230-V232 PolarHBondContact O-N 3.13Å; N230-V232 VanDerWaalsContact O-N 3.07Å
231G32.8Very low34.8Very low86 Ų86125.6 Ų125.689%0.88771%0.71SS**  trans-77.189.8-177.300000112.1
232V29.3Very low35.1Very low120 Ų120125 Ų12573%0.72772%0.722SS**  trans-113.3116.7161.4-179.30000107.7N230 T234N230-V232 PolarHBondContact O-N 3.13Å; N230-V232 VanDerWaalsContact O-N 3.07Å; V232-T234 VanDerWaalsContact C-N 3.28Å; V232-T234 PolarHBondContact O-N 2.72Å
233K35.8Very low34.9Very low197 Ų197127.9 Ų127.986%0.85775%0.747SS**  trans-68.982.4177.3-70.1178.3179.1175.20110.1H235K233-H235 PolarHBondContact O-N 3.36Å
234T29.7Very low35.1Very low108 Ų108127.4 Ų127.466%0.66375%0.749SS**  trans-71.2121.2163.652.60000108.3V232 S236V232-T234 VanDerWaalsContact C-N 3.28Å; V232-T234 PolarHBondContact O-N 2.72Å; T234-S236 PolarHBondContact O-N 2.8Å
235H35.9Very low35.9Very low182 Ų182130.1 Ų130.184%0.84376%0.764SS**  trans-68.978.4176.8-75.3-105.7000110.9K233K233-H235 PolarHBondContact O-N 3.36Å
236S34.4Very low36.4Very low80 Ų80129.4 Ų129.456%0.55976%0.761SS**  trans-10778.9168.659.10000109T234 L238T234-S236 PolarHBondContact O-N 2.8Å; S236-L238 VanDerWaalsContact C-N 3.32Å; S236-L238 PolarHBondContact O-N 2.99Å
237K32.4Very low37Very low209 Ų209126.3 Ų126.391%0.90976%0.764SS**  trans-70.895.6169.1-168.3171.1-175.51770107.3S239K237-S239 PolarHBondContact O-N 3.01Å
238L39.6Very low37.9Very low144 Ų144132.4 Ų132.475%0.75477%0.773SS**  trans-59.9107.4-175.2-74.6156.5000111S236 S240S236-L238 VanDerWaalsContact C-N 3.32Å; S236-L238 PolarHBondContact O-N 2.99Å; L238-S240 PolarHBondContact O-N 2.88Å; L238-S240 VanDerWaalsContact O-N 3.09Å
239S32.6Very low39Very low129 Ų129132.3 Ų132.390%0.90277%0.772SS**  trans-7783.7154.1-75.20000108.2K237K237-S239 PolarHBondContact O-N 3.01Å
240S43.1Very low39.8Very low113 Ų113128.4 Ų128.479%0.7976%0.755SS**  trans-61.6149170.950.20000111L238L238-S240 PolarHBondContact O-N 2.88Å; L238-S240 VanDerWaalsContact O-N 3.09Å
241G36.8Very low42Very low46 Ų46125.6 Ų125.647%0.47474%0.74SS.*  trans172.2109.117000000109.8K250G241-K250 VanDerWaalsContact C-NZ 3.27Å; G241-K250 PolarHBondContact O-NZ 2.62Å
242G43.1Very low44.3Very low58 Ų58124.9 Ų124.960%0.59871%0.713SS**  trans-66.3-161.8176.800000113.7N244 K250G242-N244 PolarHBondContact O-N 3.09Å; G242-K250 PolarHBondContact O-NZ 2.68Å
243C31.5Very low46.5Very low129 Ų129122.7 Ų122.787%0.87270%0.7SS**  trans-61.1128.7171.449.20000111.1
244N41.1Very low48.9Very low130 Ų130113.4 Ų113.470%0.69566%0.659SS**  trans-97.9153.2155.6-80.631.4000108.1G242 D246G242-N244 PolarHBondContact O-N 3.09Å; N244-D246 PolarHBondContact O-N 2.38Å
245S48Very low51.2Low124 Ų124116.9 Ų116.987%0.86767%0.668SS**SBendtrans-62.2-8.7-173.3-42.50000115.5
246D46.7Very low53.2Low124 Ų124112.8 Ų112.866%0.66366%0.656SS**SBendtrans-109.758-162.7-50.6-59.1000113.9N244 K248N244-D246 PolarHBondContact O-N 2.38Å; D246-K248 PolarHBondContact O-N 3.3Å
247G52Low55.3Low79 Ų79111.2 Ų111.281%0.81464%0.644SS**  trans55.21.4153.700000120.7
248K51.7Low57.5Low192 Ų192103.7 Ų103.784%0.83563%0.626SS**  trans-97.7118-174.6-74178.6-179.3173.80111.2D246 K250D246-K248 PolarHBondContact O-N 3.3Å; K248-K250 PolarHBondContact O-N 3.15Å; K248-K250 VanDerWaalsContact O-N 3.14Å
249H51.6Low59.4Low170 Ų170102.4 Ų102.479%0.78761%0.614SS**  trans-59116.6172.2-67.1-72.9000110.9N251H249-N251 PolarHBondContact O-N 3.11Å
250K60.9Low61.5Low117 Ų117100.3 Ų100.351%0.50960%0.596SS.*  trans-73.4113.2174.6-122.9170.5-172.4167.30109.1G241 G242 K248 F252G241-K250 VanDerWaalsContact C-NZ 3.27Å; G241-K250 PolarHBondContact O-NZ 2.62Å; G242-K250 PolarHBondContact O-NZ 2.68Å; K248-K250 PolarHBondContact O-N 3.15Å; K248-K250 VanDerWaalsContact O-N 3.14Å; K250-F252 WeakPolarHBondContact O-CD2 3.29Å; K250-F252 VanDerWaalsContact O-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.23Å
251N73.7Confident63.3Low100 Ų10097 Ų9754%0.53557%0.567SS.*  trans-88.8142.4179.5-76.6-25.5000111H249 V260H249-N251 PolarHBondContact O-N 3.11Å; N251-V260 HydrophobicContact CB-CG1 3.54Å
252F79.8Confident65.2Low71 Ų71100.2 Ų100.231%0.31157%0.574SS.*EExtended strand (participates in β ladder)trans-111113.2-178.1-61.7-92.4000109.5K250 F261 A263 H264 L267K250-F252 WeakPolarHBondContact O-CD2 3.29Å; K250-F252 VanDerWaalsContact O-CE2 3.26Å; K250-F252 WeakPolarHBondContact O-CE2 3.23Å; F252-F261 PolarHBondContact N-O 2.78Å; F252-F261 PolarHBondContact O-N 3.18Å; F252-A263 VanDerWaalsContact CD2-C 3.41Å; F252-H264 HydrophobicContact CD1-CB 4Å; F252-H264 AromaticContact CD1-CD2 3.94Å; F252-H264 VanDerWaalsContact CD2-N 3.34Å; F252-H264 HydrophobicContact CE1-CB 3.77Å; F252-H264 HydrophobicContact CE2-CB 4.35Å; F252-H264 HydrophobicContact CG-CB 4.39Å; F252-H264 HydrophobicContact CZ-CB 3.95Å; F252-L267 HydrophobicContact CB-CB 4.27Å; F252-L267 HydrophobicContact CB-CD2 3.94Å
253T76.8Confident66.8Low75 Ų7598.5 Ų98.546%0.4655%0.554SS.*EExtended strand (participates in β ladder)trans-97.6137-175.6-52.10000111.2E255 K259 V260T253-E255 PolarHBondContact O-N 3.42Å; T253-K259 CarbonylContact C-O 3.57Å; T253-K259 WeakPolarHBondContact CA-O 3.49Å; T253-V260 HydrophobicContact CG2-CG2 4.25Å
254C84.5Confident68.7Low1 Ų197.5 Ų97.51%0.00754%0.536CS..  trans-79.5114.9171-176.20000110.5V256 C257 G258 K259 F261 L267 H274C254-V256 PolarHBondContact O-N 2.96Å; C254-C257 PolarHBondContact O-N 3.3Å; C254-G258 WeakPolarHBondContact O-CA 3.48Å; C254-G258 PolarHBondContact O-N 3.43Å; C254-K259 HydrophobicContact CB-CB 4.47Å; C254-K259 PolarHBondContact N-O 3.5Å; C254-F261 HydrophobicContact CB-CE2 4.1Å; C254-L267 HydrophobicContact CB-CD1 3.52Å; C254-H274 PolarHBondContact SG-NE2 3.47Å
255E78.3Confident70.2Confident181 Ų18198.6 Ų98.685%0.84653%0.531SS*.THydrogen-bonded Turntrans-60.3-29.9-179.1-63.2172.5179.800113.1T253T253-E255 PolarHBondContact O-N 3.42Å
256V78.3Confident71.4Confident96 Ų9693.8 Ų93.858%0.58250%0.496SS*.THydrogen-bonded Turntrans-79-21.3-176.4-172.50000113.2C254 H274C254-V256 PolarHBondContact O-N 2.96Å; V256-H274 HydrophobicContact CB-CB 4.49Å; V256-H274 HydrophobicContact CG1-CB 4.03Å
257C78.8Confident72.6Confident47 Ų4789 Ų8932%0.31847%0.47SS..THydrogen-bonded Turntrans-145.810.6-176.771.60000115.9C254 K259 H270 H274C254-C257 PolarHBondContact O-N 3.3Å; C257-K259 PolarHBondContact O-N 3.35Å; C257-K259 VanDerWaalsContact SG-CG 3.59Å; C257-H270 PolarHBondContact SG-NE2 2.79Å; C257-H274 WeakPolarHBondContact CB-CE1 3.48Å; C257-H274 PolarHBondContact SG-CE1 2.9Å; C257-H274 PolarHBondContact SG-NE2 3.36Å
258G79.6Confident73.6Confident51 Ų5188.8 Ų88.853%0.52645%0.453SS..  trans65.14.3179.900000115.6C254 V260C254-G258 WeakPolarHBondContact O-CA 3.48Å; C254-G258 PolarHBondContact O-N 3.43Å; G258-V260 PolarHBondContact O-N 3.08Å
259K77.9Confident74.7Confident118 Ų11885.6 Ų85.651%0.51344%0.436SS..  trans-70.7126.5-176.5-75.8-178.1-178.6177.90111.5T253 C254 C257 F261T253-K259 CarbonylContact C-O 3.57Å; T253-K259 WeakPolarHBondContact CA-O 3.49Å; C254-K259 HydrophobicContact CB-CB 4.47Å; C254-K259 PolarHBondContact N-O 3.5Å; C257-K259 PolarHBondContact O-N 3.35Å; C257-K259 VanDerWaalsContact SG-CG 3.59Å; K259-F261 HydrophobicContact CB-CE2 3.7Å; K259-F261 HydrophobicContact CB-CZ 3.9Å; K259-F261 WeakPolarHBondContact O-CD2 3.48Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.41Å
260V77.9Confident75.9Confident85 Ų8578.4 Ų78.452%0.51540%0.403SS..EExtended strand (participates in β ladder)trans-92.9131.4-178.9-171.80000110.2N251 T253 G258N251-V260 HydrophobicContact CB-CG1 3.54Å; T253-V260 HydrophobicContact CG2-CG2 4.25Å; G258-V260 PolarHBondContact O-N 3.08Å
261F80.4Confident76.4Confident42 Ų4276.3 Ų76.318%0.18440%0.396CS..EExtended strand (participates in β ladder)trans-121.2142.7178.7-61.4-84.9000110.4F252 C254 K259 A263 N266 L267 H270F252-F261 PolarHBondContact N-O 2.78Å; F252-F261 PolarHBondContact O-N 3.18Å; C254-F261 HydrophobicContact CB-CE2 4.1Å; K259-F261 HydrophobicContact CB-CE2 3.7Å; K259-F261 HydrophobicContact CB-CZ 3.9Å; K259-F261 WeakPolarHBondContact O-CD2 3.48Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.41Å; F261-A263 PolarHBondContact O-N 3.41Å; F261-N266 HydrophobicContact CB-CB 4.08Å; F261-N266 HydrophobicContact CD1-CB 3.89Å; F261-N266 HydrophobicContact CG-CB 4.28Å; F261-L267 HydrophobicContact CB-CB 4.39Å; F261-L267 HydrophobicContact CD2-CB 3.98Å; F261-L267 HydrophobicContact CD2-CD1 3.85Å; F261-L267 HydrophobicContact CD2-CG 4.5Å; F261-L267 HydrophobicContact CE2-CD1 3.95Å; F261-L267 HydrophobicContact CG-CB 4.31Å; F261-H270 HydrophobicContact CE1-CB 4.08Å; F261-H270 HydrophobicContact CE2-CB 4.04Å; F261-H270 AromaticContact CE2-CD2 3.46Å; F261-H270 VanDerWaalsContact CE2-CD2 3.46Å; F261-H270 WeakPolarHBondContact CE2-CD2 3.45Å; F261-H270 AromaticContact CE2-CG 3.82Å; F261-H270 HydrophobicContact CZ-CB 3.57Å; F261-H270 AromaticContact CZ-CD2 3.39Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.41Å; F261-H270 AromaticContact CZ-CG 3.32Å; F261-H270 AromaticContact CZ-ND1 3.93Å
262N76.1Confident76.6Confident115 Ų11572.5 Ų72.562%0.61538%0.376SS*.SBendtrans-76.2-4.1178.764.5-13.1000114.5N266N262-N266 PolarHBondContact OD1-ND2 3.02Å
263A76.6Confident76.3Confident21 Ų2172 Ų7217%0.17438%0.379CS..SBendtrans-157.5145.8-177.800000112.2F252 F261 Y265 N266 L267F252-A263 VanDerWaalsContact CD2-C 3.41Å; F261-A263 PolarHBondContact O-N 3.41Å; A263-Y265 VanDerWaalsContact C-N 3.34Å; A263-Y265 HydrophobicContact CB-CD1 3.52Å; A263-Y265 HydrophobicContact CB-CE1 3.34Å; A263-Y265 PolarHBondContact O-N 3.16Å; A263-N266 WeakPolarHBondContact O-CB 3.44Å; A263-N266 PolarHBondContact O-N 3.48Å; A263-N266 VanDerWaalsContact O-N 3.07Å; A263-L267 PolarHBondContact O-N 3.03Å
264H72.1Confident76.2Confident108 Ų10872 Ų7250%0.537%0.374SS..Hα-helixtrans-56.6-43.3-179.6-173.1-101.8000112.8F252 N266 L267 T268F252-H264 HydrophobicContact CD1-CB 4Å; F252-H264 AromaticContact CD1-CD2 3.94Å; F252-H264 VanDerWaalsContact CD2-N 3.34Å; F252-H264 HydrophobicContact CE1-CB 3.77Å; F252-H264 HydrophobicContact CE2-CB 4.35Å; F252-H264 HydrophobicContact CG-CB 4.39Å; F252-H264 HydrophobicContact CZ-CB 3.95Å; H264-N266 PolarHBondContact O-N 3.48Å; H264-L267 WeakPolarHBondContact O-CB 3.49Å; H264-L267 PolarHBondContact O-N 2.97Å; H264-T268 PolarHBondContact CE1-OG1 3.38Å; H264-T268 PolarHBondContact O-N 3.12Å; H264-T268 PolarHBondContact O-OG1 3.37Å
265Y72.7Confident75.4Confident153 Ų15376.8 Ų76.860%0.640%0.403SS*.Hα-helixtrans-61-29.7179.179.4-93.4000113.1A263 R269A263-Y265 VanDerWaalsContact C-N 3.34Å; A263-Y265 HydrophobicContact CB-CD1 3.52Å; A263-Y265 HydrophobicContact CB-CE1 3.34Å; A263-Y265 PolarHBondContact O-N 3.16Å; Y265-R269 VanDerWaalsContact O-CB 3.27Å; Y265-R269 WeakPolarHBondContact O-CB 3.48Å; Y265-R269 PolarHBondContact O-N 2.96Å
266N73.6Confident74.8Confident23 Ų2370.1 Ų70.112%0.12338%0.383CS..Hα-helixtrans-71.9-39.9175.9-79.9-40.8000111.4F261 N262 A263 H264 R269 H270F261-N266 HydrophobicContact CB-CB 4.08Å; F261-N266 HydrophobicContact CD1-CB 3.89Å; F261-N266 HydrophobicContact CG-CB 4.28Å; N262-N266 PolarHBondContact OD1-ND2 3.02Å; A263-N266 WeakPolarHBondContact O-CB 3.44Å; A263-N266 PolarHBondContact O-N 3.48Å; A263-N266 VanDerWaalsContact O-N 3.07Å; H264-N266 PolarHBondContact O-N 3.48Å; N266-R269 PolarHBondContact OD1-NH2 3.1Å; N266-H270 WeakPolarHBondContact O-CB 3.28Å; N266-H270 PolarHBondContact O-N 3.48Å; N266-H270 VanDerWaalsContact O-N 3.1Å
267L71.5Confident74.2Confident23 Ų2367.5 Ų67.512%0.1237%0.371CS..Hα-helixtrans-64.9-47172.1176.159.1000111.2F252 C254 F261 A263 H264 R269 H270 M271F252-L267 HydrophobicContact CB-CB 4.27Å; F252-L267 HydrophobicContact CB-CD2 3.94Å; C254-L267 HydrophobicContact CB-CD1 3.52Å; F261-L267 HydrophobicContact CB-CB 4.39Å; F261-L267 HydrophobicContact CD2-CB 3.98Å; F261-L267 HydrophobicContact CD2-CD1 3.85Å; F261-L267 HydrophobicContact CD2-CG 4.5Å; F261-L267 HydrophobicContact CE2-CD1 3.95Å; F261-L267 HydrophobicContact CG-CB 4.31Å; A263-L267 PolarHBondContact O-N 3.03Å; H264-L267 WeakPolarHBondContact O-CB 3.49Å; H264-L267 PolarHBondContact O-N 2.97Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.9Å; L267-H270 WeakPolarHBondContact O-CA 3.33Å; L267-H270 VanDerWaalsContact O-CB 3.29Å; L267-H270 WeakPolarHBondContact O-CB 3.3Å; L267-H270 PolarHBondContact O-N 3.26Å; L267-M271 HydrophobicContact CD1-SD 3.9Å; L267-M271 HydrophobicContact CG-SD 4.46Å; L267-M271 WeakPolarHBondContact O-CG 3.44Å; L267-M271 PolarHBondContact O-N 2.79Å; L267-M271 VanDerWaalsContact O-N 3.09Å
268T73.7Confident73.8Confident75 Ų7572.7 Ų72.746%0.4638%0.384SS..Hα-helixtrans-56.5-44.5176.8-48.30000111.7H264 H270 M271 P272H264-T268 PolarHBondContact CE1-OG1 3.38Å; H264-T268 PolarHBondContact O-N 3.12Å; H264-T268 PolarHBondContact O-OG1 3.37Å; T268-H270 PolarHBondContact O-N 3.32Å; T268-M271 PolarHBondContact O-N 3.31Å; T268-P272 WeakPolarHBondContact O-CD 3.4Å
269R73.3Confident73.4Confident125 Ų12574.2 Ų74.247%0.47239%0.385SS..Hα-helixtrans-68.1-17.9175.1-175.6171.863.3160.2-5.9113.7Y265 N266 L267 Q291Y265-R269 VanDerWaalsContact O-CB 3.27Å; Y265-R269 WeakPolarHBondContact O-CB 3.48Å; Y265-R269 PolarHBondContact O-N 2.96Å; N266-R269 PolarHBondContact OD1-NH2 3.1Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.9Å; R269-Q291 HydrophobicContact CG-CG 4.14Å
270H76.9Confident73.1Confident20 Ų2071.3 Ų71.39%0.09337%0.372CS..Hα-helixtrans-85.2-31.7175.9176.856.5000113C257 F261 N266 L267 T268 P272 V273 H274C257-H270 PolarHBondContact SG-NE2 2.79Å; F261-H270 HydrophobicContact CE1-CB 4.08Å; F261-H270 HydrophobicContact CE2-CB 4.04Å; F261-H270 AromaticContact CE2-CD2 3.46Å; F261-H270 VanDerWaalsContact CE2-CD2 3.46Å; F261-H270 WeakPolarHBondContact CE2-CD2 3.45Å; F261-H270 AromaticContact CE2-CG 3.82Å; F261-H270 HydrophobicContact CZ-CB 3.57Å; F261-H270 AromaticContact CZ-CD2 3.39Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.41Å; F261-H270 AromaticContact CZ-CG 3.32Å; F261-H270 AromaticContact CZ-ND1 3.93Å; N266-H270 WeakPolarHBondContact O-CB 3.28Å; N266-H270 PolarHBondContact O-N 3.48Å; N266-H270 VanDerWaalsContact O-N 3.1Å; L267-H270 WeakPolarHBondContact O-CA 3.33Å; L267-H270 VanDerWaalsContact O-CB 3.29Å; L267-H270 WeakPolarHBondContact O-CB 3.3Å; L267-H270 PolarHBondContact O-N 3.26Å; T268-H270 PolarHBondContact O-N 3.32Å; H270-P272 VanDerWaalsContact C-CD 3.41Å; H270-P272 VanDerWaalsContact C-N 3.34Å; H270-V273 WeakPolarHBondContact O-CB 3.47Å; H270-V273 VanDerWaalsContact O-CG2 3.25Å; H270-V273 WeakPolarHBondContact O-CG2 3.26Å; H270-V273 PolarHBondContact O-N 3.04Å; H270-H274 AromaticContact CD2-NE2 3.15Å; H270-H274 PolarHBondContact CD2-NE2 3.14Å; H270-H274 AromaticContact CE1-NE2 3.3Å; H270-H274 PolarHBondContact CE1-NE2 2.96Å; H270-H274 VanDerWaalsContact CE1-NE2 3.3Å; H270-H274 AromaticContact NE2-CD2 3.94Å; H270-H274 AromaticContact NE2-NE2 2.38Å; H270-H274 PolarHBondContact NE2-NE2 3.29Å
271M71.5Confident72.5Confident72 Ų7271 Ų7136%0.35537%0.37SS..G310 helixtrans-52.3-37.3-177.8-59-51.1-72.300115.6L267 T268 V273 H274 T275L267-M271 HydrophobicContact CD1-SD 3.9Å; L267-M271 HydrophobicContact CG-SD 4.46Å; L267-M271 WeakPolarHBondContact O-CG 3.44Å; L267-M271 PolarHBondContact O-N 2.79Å; L267-M271 VanDerWaalsContact O-N 3.09Å; T268-M271 PolarHBondContact O-N 3.31Å; M271-V273 PolarHBondContact O-N 3.09Å; M271-H274 PolarHBondContact O-N 3.29Å; M271-T275 PolarHBondContact O-N 3.18Å
272P77.4Confident71.8Confident20 Ų2069 Ų6913%0.1336%0.362CS..G310 helixtrans-61.4-7.9173.2-24.635.4000115.4T268 H270 A277 R290T268-P272 WeakPolarHBondContact O-CD 3.4Å; H270-P272 VanDerWaalsContact C-CD 3.41Å; H270-P272 VanDerWaalsContact C-N 3.34Å; P272-A277 HydrophobicContact CB-CB 4.49Å; P272-R290 HydrophobicContact CB-CB 4.37Å; P272-R290 HydrophobicContact CB-CG 4.14Å; P272-R290 PolarHBondContact O-NE 3.23Å
273V75.5Confident71.4Confident62 Ų6272.6 Ų72.638%0.37637%0.372SS..G310 helixtrans-70.4-39.5170.4178.80000111.3H270 M271 R290H270-V273 WeakPolarHBondContact O-CB 3.47Å; H270-V273 VanDerWaalsContact O-CG2 3.25Å; H270-V273 WeakPolarHBondContact O-CG2 3.26Å; H270-V273 PolarHBondContact O-N 3.04Å; M271-V273 PolarHBondContact O-N 3.09Å; V273-R290 PolarHBondContact O-NH2 2.93Å
274H73.2Confident70.6Confident75 Ų7576.6 Ų76.635%0.34739%0.394SS..THydrogen-bonded Turntrans-87.4-44.8-175.2-61.6-53.4000112.7C254 V256 C257 H270 M271 G276C254-H274 PolarHBondContact SG-NE2 3.47Å; V256-H274 HydrophobicContact CB-CB 4.49Å; V256-H274 HydrophobicContact CG1-CB 4.03Å; C257-H274 WeakPolarHBondContact CB-CE1 3.48Å; C257-H274 PolarHBondContact SG-CE1 2.9Å; C257-H274 PolarHBondContact SG-NE2 3.36Å; H270-H274 AromaticContact CD2-NE2 3.15Å; H270-H274 PolarHBondContact CD2-NE2 3.14Å; H270-H274 AromaticContact CE1-NE2 3.3Å; H270-H274 PolarHBondContact CE1-NE2 2.96Å; H270-H274 VanDerWaalsContact CE1-NE2 3.3Å; H270-H274 AromaticContact NE2-CD2 3.94Å; H270-H274 AromaticContact NE2-NE2 2.38Å; H270-H274 PolarHBondContact NE2-NE2 3.29Å; M271-H274 PolarHBondContact O-N 3.29Å; H274-G276 PolarHBondContact O-N 3.37Å; H274-G276 VanDerWaalsContact O-N 3.17Å
275T68.2Low70Confident101 Ų10173.9 Ų73.962%0.6239%0.386SS*.SBendtrans-74-3.6-179.658.90000113.6M271 A277M271-T275 PolarHBondContact O-N 3.18Å; T275-A277 PolarHBondContact O-N 3.47Å; T275-A277 VanDerWaalsContact OG1-CB 3.3Å; T275-A277 WeakPolarHBondContact OG1-CB 3.36Å; T275-A277 PolarHBondContact OG1-N 2.66Å
276G66.3Low69.5Low41 Ų4169.3 Ų69.342%0.42339%0.386SS..  trans65.7-5.3-171.600000114.5H274H274-G276 PolarHBondContact O-N 3.37Å; H274-G276 VanDerWaalsContact O-N 3.17Å
277A65.5Low68.8Low40 Ų4074.2 Ų74.233%0.33141%0.406SS..  trans-56.5138.3-172.400000111.9P272 T275P272-A277 HydrophobicContact CB-CB 4.49Å; T275-A277 PolarHBondContact O-N 3.47Å; T275-A277 VanDerWaalsContact OG1-CB 3.3Å; T275-A277 WeakPolarHBondContact OG1-CB 3.36Å; T275-A277 PolarHBondContact OG1-N 2.66Å
278R70.7Confident68.4Low156 Ų15673.6 Ų73.659%0.58941%0.405SS*.  trans-128.873.1179.4-74.7165.7179.6-128.817.6109.1F280 G288 F289R278-F280 PolarHBondContact O-N 2.82Å; R278-G288 VanDerWaalsContact CD-O 3.31Å; R278-G288 WeakPolarHBondContact CD-O 3.18Å; R278-G288 PolarHBondContact NH1-O 3.09Å; R278-F289 CarbonylContact C-O 3.44Å; R278-F289 VanDerWaalsContact CA-O 3.28Å; R278-F289 WeakPolarHBondContact CA-O 3.37Å
279P69.9Low68.1Low83 Ų8372.2 Ų72.254%0.53939%0.393SS..  trans-61.8-21.7-170.9-21.834000113.6
280F71.2Confident67.8Low58 Ų5871.2 Ų71.225%0.25439%0.389SS..EExtended strand (participates in β ladder)trans-105.388.4-173.2-55.1-77.2000110.2R278 F289 Q291 A292 L295R278-F280 PolarHBondContact O-N 2.82Å; F280-F289 HydrophobicContact CB-CB 4.29Å; F280-F289 PolarHBondContact N-O 2.94Å; F280-F289 VanDerWaalsContact N-O 3.13Å; F280-F289 WeakPolarHBondContact O-CB 3.45Å; F280-F289 WeakPolarHBondContact O-CD2 3.44Å; F280-F289 PolarHBondContact O-N 3.08Å; F280-Q291 VanDerWaalsContact CD2-CA 3.48Å; F280-A292 HydrophobicContact CD1-CB 3.82Å; F280-A292 HydrophobicContact CE1-CB 3.68Å; F280-A292 HydrophobicContact CG-CB 4.36Å; F280-A292 HydrophobicContact CZ-CB 4.1Å; F280-L295 HydrophobicContact CB-CB 3.98Å; F280-L295 HydrophobicContact CB-CD2 3.82Å
281V66.1Low67.3Low78 Ų7873.1 Ų73.147%0.47340%0.398SS..EExtended strand (participates in β ladder)trans-90.2137.1-179.5-175.10000111.7K283V281-K283 PolarHBondContact O-N 3.11Å
282C65.1Low66.7Low1 Ų172.2 Ų72.21%0.00740%0.402CS..  trans-77.4112.5172.1-170.90000111V284 C285 G286 K287 F289 L295 H302C282-V284 PolarHBondContact O-N 3.42Å; C282-V284 VanDerWaalsContact O-N 3.1Å; C282-C285 PolarHBondContact O-N 3.06Å; C282-G286 WeakPolarHBondContact O-CA 3.4Å; C282-G286 PolarHBondContact O-N 3.07Å; C282-K287 PolarHBondContact N-O 3.07Å; C282-F289 HydrophobicContact CB-CE2 4.37Å; C282-L295 HydrophobicContact CB-CD1 3.62Å; C282-H302 VanDerWaalsContact SG-CD2 3.56Å; C282-H302 PolarHBondContact SG-NE2 3.42Å; C282-H302 VanDerWaalsContact SG-NE2 3.41Å
283K68.6Low65.7Low189 Ų18974.9 Ų74.982%0.82242%0.421SS*.THydrogen-bonded Turntrans-58-20.7176.9-61.6-172.8-178.5-179.50113.8E221 V281E221-K283 IonicContact OE2-NZ 2.71Å; V281-K283 PolarHBondContact O-N 3.11Å
284V60.3Low64.9Low106 Ų10673.7 Ų73.764%0.64241%0.414SS*.THydrogen-bonded Turntrans-86.8-32.7-177.8-175.60000113.5C282 H302C282-V284 PolarHBondContact O-N 3.42Å; C282-V284 VanDerWaalsContact O-N 3.1Å; V284-H302 HydrophobicContact CB-CB 4.48Å; V284-H302 HydrophobicContact CG1-CB 4.1Å; V284-H302 HydrophobicContact CG2-CB 4.46Å
285C59.3Low64.1Low50 Ų5071 Ų7134%0.33840%0.402SS..THydrogen-bonded Turntrans-137.310.8-172.372.70000114.8C282 K287 H298 H302C282-C285 PolarHBondContact O-N 3.06Å; C285-K287 PolarHBondContact O-N 2.73Å; C285-H298 PolarHBondContact SG-NE2 2.88Å; C285-H302 PolarHBondContact SG-NE2 3.19Å; C285-H302 VanDerWaalsContact SG-NE2 3.37Å
286G61.1Low63.7Low57 Ų5769.9 Ų69.959%0.58840%0.398SS*.  trans66.8-3.1179.500000115.9C282 G288C282-G286 WeakPolarHBondContact O-CA 3.4Å; C282-G286 PolarHBondContact O-N 3.07Å; G286-G288 PolarHBondContact O-N 3.33Å; G286-G288 VanDerWaalsContact O-N 3.16Å
287K60.5Low62.9Low126 Ų12674 Ų7455%0.54840%0.401SS..  trans-68.5116.6-176.5-70.7179.8-178.8175.50111C282 C285 F289C282-K287 PolarHBondContact N-O 3.07Å; C285-K287 PolarHBondContact O-N 2.73Å; K287-F289 HydrophobicContact CB-CE2 3.77Å; K287-F289 HydrophobicContact CB-CZ 4.05Å; K287-F289 WeakPolarHBondContact O-CD2 3.34Å; K287-F289 WeakPolarHBondContact O-CE2 3.44Å
288G61.8Low62.7Low10 Ų1073.1 Ų73.110%0.10339%0.39CS..EExtended strand (participates in β ladder)trans-82136.8173.600000113.4R278 G286R278-G288 VanDerWaalsContact CD-O 3.31Å; R278-G288 WeakPolarHBondContact CD-O 3.18Å; R278-G288 PolarHBondContact NH1-O 3.09Å; G286-G288 PolarHBondContact O-N 3.33Å; G286-G288 VanDerWaalsContact O-N 3.16Å
289F67Low61.8Low46 Ų4669.5 Ų69.520%0.20238%0.378CS..EExtended strand (participates in β ladder)trans-122.5153.3178.5-62.9-91.3000111.9R278 F280 C282 K287 L295 H298R278-F289 CarbonylContact C-O 3.44Å; R278-F289 VanDerWaalsContact CA-O 3.28Å; R278-F289 WeakPolarHBondContact CA-O 3.37Å; F280-F289 HydrophobicContact CB-CB 4.29Å; F280-F289 PolarHBondContact N-O 2.94Å; F280-F289 VanDerWaalsContact N-O 3.13Å; F280-F289 WeakPolarHBondContact O-CB 3.45Å; F280-F289 WeakPolarHBondContact O-CD2 3.44Å; F280-F289 PolarHBondContact O-N 3.08Å; C282-F289 HydrophobicContact CB-CE2 4.37Å; K287-F289 HydrophobicContact CB-CE2 3.77Å; K287-F289 HydrophobicContact CB-CZ 4.05Å; K287-F289 WeakPolarHBondContact O-CD2 3.34Å; K287-F289 WeakPolarHBondContact O-CE2 3.44Å; F289-L295 HydrophobicContact CB-CB 4.26Å; F289-L295 HydrophobicContact CD2-CB 4.06Å; F289-L295 HydrophobicContact CD2-CD1 3.82Å; F289-L295 HydrophobicContact CE2-CD1 4.06Å; F289-L295 HydrophobicContact CG-CB 4.28Å; F289-H298 HydrophobicContact CE1-CB 4.03Å; F289-H298 HydrophobicContact CE2-CB 3.97Å; F289-H298 AromaticContact CE2-CD2 3.28Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.48Å; F289-H298 AromaticContact CE2-CG 3.62Å; F289-H298 AromaticContact CE2-NE2 3.96Å; F289-H298 HydrophobicContact CZ-CB 3.56Å; F289-H298 AromaticContact CZ-CD2 3.37Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.27Å; F289-H298 AromaticContact CZ-CG 3.23Å; F289-H298 AromaticContact CZ-ND1 3.74Å; F289-H298 AromaticContact CZ-NE2 3.93Å
290R67.1Low61Low104 Ų10468 Ų6839%0.39237%0.365SS..SBendtrans-81.4-15.9178.8-72.3175.8170.6156.2-3.7114P272 V273P272-R290 HydrophobicContact CB-CB 4.37Å; P272-R290 HydrophobicContact CB-CG 4.14Å; P272-R290 PolarHBondContact O-NE 3.23Å; V273-R290 PolarHBondContact O-NH2 2.93Å
291Q66.8Low60.2Low60 Ų6070.6 Ų70.628%0.2838%0.38SS..SBendtrans-143.3140.3-176.7-60.6-179.211.900112R269 F280 S293 T294 L295R269-Q291 HydrophobicContact CG-CG 4.14Å; F280-Q291 VanDerWaalsContact CD2-CA 3.48Å; Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 PolarHBondContact O-N 3.02Å; Q291-T294 HydrophobicContact CB-CG2 4.37Å; Q291-T294 PolarHBondContact O-N 2.8Å; Q291-T294 VanDerWaalsContact O-N 3.08Å; Q291-T294 PolarHBondContact O-OG1 3.35Å; Q291-L295 PolarHBondContact O-N 2.83Å; Q291-L295 VanDerWaalsContact O-N 3.16Å
292A58.3Low59.3Low53 Ų5370 Ų7044%0.43837%0.372SS..Hα-helixtrans-55-41.9177.300000113.4F280 T294 L295 C296F280-A292 HydrophobicContact CD1-CB 3.82Å; F280-A292 HydrophobicContact CE1-CB 3.68Å; F280-A292 HydrophobicContact CG-CB 4.36Å; F280-A292 HydrophobicContact CZ-CB 4.1Å; A292-T294 VanDerWaalsContact C-N 3.29Å; A292-T294 PolarHBondContact O-N 3.02Å; A292-L295 PolarHBondContact O-N 3.03Å; A292-C296 WeakPolarHBondContact O-CB 3.47Å; A292-C296 PolarHBondContact O-N 3.06Å
293S57Low58.3Low76 Ų7674.2 Ų74.253%0.53140%0.398SS..Hα-helixtrans-59.5-38.2176.856.30000112.7Q291 C296 R297Q291-S293 VanDerWaalsContact C-N 3.32Å; Q291-S293 PolarHBondContact O-N 3.02Å; S293-C296 PolarHBondContact O-N 3.28Å; S293-R297 PolarHBondContact O-N 2.81Å
294T59.2Low57Low37 Ų3772.8 Ų72.823%0.22739%0.394CS..Hα-helixtrans-73.2-34.9177.858.30000112.8Q291 A292 H298Q291-T294 HydrophobicContact CB-CG2 4.37Å; Q291-T294 PolarHBondContact O-N 2.8Å; Q291-T294 VanDerWaalsContact O-N 3.08Å; Q291-T294 PolarHBondContact O-OG1 3.35Å; A292-T294 VanDerWaalsContact C-N 3.29Å; A292-T294 PolarHBondContact O-N 3.02Å; T294-H298 WeakPolarHBondContact O-CB 3.25Å; T294-H298 PolarHBondContact O-N 3.37Å
295L57.1Low55.7Low19 Ų1972.3 Ų72.310%0.09939%0.391CS..Hα-helixtrans-66.5-42.7169.6172.361.8000111.2F280 C282 F289 Q291 A292 H298 K299F280-L295 HydrophobicContact CB-CB 3.98Å; F280-L295 HydrophobicContact CB-CD2 3.82Å; C282-L295 HydrophobicContact CB-CD1 3.62Å; F289-L295 HydrophobicContact CB-CB 4.26Å; F289-L295 HydrophobicContact CD2-CB 4.06Å; F289-L295 HydrophobicContact CD2-CD1 3.82Å; F289-L295 HydrophobicContact CE2-CD1 4.06Å; F289-L295 HydrophobicContact CG-CB 4.28Å; Q291-L295 PolarHBondContact O-N 2.83Å; Q291-L295 VanDerWaalsContact O-N 3.16Å; A292-L295 PolarHBondContact O-N 3.03Å; L295-H298 CarbonylContact O-C 3.57Å; L295-H298 WeakPolarHBondContact O-CA 2.85Å; L295-H298 WeakPolarHBondContact O-CB 3.22Å; L295-H298 PolarHBondContact O-N 3.4Å; L295-H298 VanDerWaalsContact O-N 3.08Å; L295-K299 HydrophobicContact CD1-CG 4.42Å; L295-K299 WeakPolarHBondContact O-CG 3.28Å; L295-K299 PolarHBondContact O-N 2.84Å
296C58.6Low54.3Low78 Ų7877.5 Ų77.553%0.52740%0.404SS..Hα-helixtrans-59.1-50.2179.5-171.90000111.2A292 S293 H298 K299A292-C296 WeakPolarHBondContact O-CB 3.47Å; A292-C296 PolarHBondContact O-N 3.06Å; S293-C296 PolarHBondContact O-N 3.28Å; C296-H298 VanDerWaalsContact C-N 3.28Å; C296-H298 PolarHBondContact O-N 2.94Å; C296-K299 WeakPolarHBondContact O-CB 3.38Å; C296-K299 PolarHBondContact O-N 3.07Å; C296-K299 VanDerWaalsContact O-N 3.16Å
297R50.3Low53.1Low128 Ų12878.2 Ų78.248%0.48339%0.392SS..Hα-helixtrans-59.5-37.9172.2-179.4171.460-163.6-1.8112.6S293 K299 I300S293-R297 PolarHBondContact O-N 2.81Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.17Å; R297-I300 WeakPolarHBondContact O-CB 3.29Å; R297-I300 WeakPolarHBondContact O-CG1 3.42Å; R297-I300 PolarHBondContact O-N 3.02Å
298H60.5Low51.3Low21 Ų2178.4 Ų78.410%0.09740%0.404CS..Hα-helixtrans-65.5-32.6177.6174.661.6000113.3C285 F289 T294 L295 C296 I300 I301 H302C285-H298 PolarHBondContact SG-NE2 2.88Å; F289-H298 HydrophobicContact CE1-CB 4.03Å; F289-H298 HydrophobicContact CE2-CB 3.97Å; F289-H298 AromaticContact CE2-CD2 3.28Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.48Å; F289-H298 AromaticContact CE2-CG 3.62Å; F289-H298 AromaticContact CE2-NE2 3.96Å; F289-H298 HydrophobicContact CZ-CB 3.56Å; F289-H298 AromaticContact CZ-CD2 3.37Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.27Å; F289-H298 AromaticContact CZ-CG 3.23Å; F289-H298 AromaticContact CZ-ND1 3.74Å; F289-H298 AromaticContact CZ-NE2 3.93Å; T294-H298 WeakPolarHBondContact O-CB 3.25Å; T294-H298 PolarHBondContact O-N 3.37Å; L295-H298 CarbonylContact O-C 3.57Å; L295-H298 WeakPolarHBondContact O-CA 2.85Å; L295-H298 WeakPolarHBondContact O-CB 3.22Å; L295-H298 PolarHBondContact O-N 3.4Å; L295-H298 VanDerWaalsContact O-N 3.08Å; C296-H298 VanDerWaalsContact C-N 3.28Å; C296-H298 PolarHBondContact O-N 2.94Å; H298-I300 PolarHBondContact O-N 3.13Å; H298-I301 WeakPolarHBondContact O-CB 3.29Å; H298-I301 PolarHBondContact O-N 3.24Å; H298-I301 VanDerWaalsContact O-N 3.12Å; H298-H302 AromaticContact CD2-NE2 3.77Å; H298-H302 AromaticContact CE1-NE2 3.48Å; H298-H302 PolarHBondContact CE1-NE2 3.31Å; H298-H302 AromaticContact NE2-CD2 3.91Å; H298-H302 AromaticContact NE2-CE1 3.9Å; H298-H302 AromaticContact NE2-NE2 3Å; H298-H302 PolarHBondContact NE2-NE2 3.15Å
299K51.7Low49.7Very low79 Ų7979.9 Ų79.934%0.34341%0.412SS..Hα-helixtrans-60.3-28.3177.3-72.7-179.6177.1-172.10113.3I218 L295 C296 R297 I301 H302 T303I218-K299 VanDerWaalsContact CD1-NZ 3.31Å; L295-K299 HydrophobicContact CD1-CG 4.42Å; L295-K299 WeakPolarHBondContact O-CG 3.28Å; L295-K299 PolarHBondContact O-N 2.84Å; C296-K299 WeakPolarHBondContact O-CB 3.38Å; C296-K299 PolarHBondContact O-N 3.07Å; C296-K299 VanDerWaalsContact O-N 3.16Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.17Å; K299-I301 PolarHBondContact O-N 3.08Å; K299-H302 PolarHBondContact O-N 3.44Å; K299-T303 PolarHBondContact O-N 3.02Å; K299-T303 PolarHBondContact O-OG1 3.05Å
300I54.4Low47.9Very low53 Ų5383.8 Ų83.827%0.27245%0.445SS..Hα-helixtrans-59.1-30.5177.4-53.8174.2000111.6R297 H298 H302 T303R297-I300 WeakPolarHBondContact O-CB 3.29Å; R297-I300 WeakPolarHBondContact O-CG1 3.42Å; R297-I300 PolarHBondContact O-N 3.02Å; H298-I300 PolarHBondContact O-N 3.13Å; I300-H302 PolarHBondContact O-N 3.11Å; I300-T303 PolarHBondContact O-N 3.42Å
301I54.1Low46Very low111 Ų11188.2 Ų88.257%0.56946%0.462SS*.Hα-helixtrans-66.7-28.6177.6-54.1-180000111.3H298 K299H298-I301 WeakPolarHBondContact O-CB 3.29Å; H298-I301 PolarHBondContact O-N 3.24Å; H298-I301 VanDerWaalsContact O-N 3.12Å; K299-I301 PolarHBondContact O-N 3.08Å
302H47.3Very low44.1Very low66 Ų6692.1 Ų92.131%0.30649%0.492SS..Hα-helixtrans-90-26.8179.8-58.9-58.2000113.3C282 V284 C285 H298 K299 I300C282-H302 VanDerWaalsContact SG-CD2 3.56Å; C282-H302 PolarHBondContact SG-NE2 3.42Å; C282-H302 VanDerWaalsContact SG-NE2 3.41Å; V284-H302 HydrophobicContact CB-CB 4.48Å; V284-H302 HydrophobicContact CG1-CB 4.1Å; V284-H302 HydrophobicContact CG2-CB 4.46Å; C285-H302 PolarHBondContact SG-NE2 3.19Å; C285-H302 VanDerWaalsContact SG-NE2 3.37Å; H298-H302 AromaticContact CD2-NE2 3.77Å; H298-H302 AromaticContact CE1-NE2 3.48Å; H298-H302 PolarHBondContact CE1-NE2 3.31Å; H298-H302 AromaticContact NE2-CD2 3.91Å; H298-H302 AromaticContact NE2-CE1 3.9Å; H298-H302 AromaticContact NE2-NE2 3Å; H298-H302 PolarHBondContact NE2-NE2 3.15Å; K299-H302 PolarHBondContact O-N 3.44Å; I300-H302 PolarHBondContact O-N 3.11Å
303T43Very low43.2Very low90 Ų9093.6 Ų93.655%0.55251%0.513SS*.Hα-helixtrans-88.7-5.7-174.9540000114.5K299 I300 V305K299-T303 PolarHBondContact O-N 3.02Å; K299-T303 PolarHBondContact O-OG1 3.05Å; I300-T303 PolarHBondContact O-N 3.42Å; T303-V305 WeakPolarHBondContact O-CG2 3.38Å; T303-V305 PolarHBondContact O-N 3.27Å
304Q42.2Very low41.9Very low159 Ų15991.9 Ų91.974%0.74350%0.501SS*.  trans47.623175.1-82.4-163.61.800116.6R306Q304-R306 VanDerWaalsContact C-N 3.28Å; Q304-R306 PolarHBondContact O-N 2.78Å
305V32.1Very low40.7Very low96 Ų9696.6 Ų96.658%0.58252%0.52SS*.  trans-72.786.5174.4-171.30000108.9T303 H307T303-V305 WeakPolarHBondContact O-CG2 3.38Å; T303-V305 PolarHBondContact O-N 3.27Å; V305-H307 PolarHBondContact O-N 3.28Å; V305-H307 VanDerWaalsContact O-N 3.14Å
306R31.2Very low39.7Very low159 Ų15999.8 Ų99.860%0.653%0.534SS*.  trans-59.8111.2171.4-82.9-179.2157.2102.6-6.6109Q304 T308 Q315Q304-R306 VanDerWaalsContact C-N 3.28Å; Q304-R306 PolarHBondContact O-N 2.78Å; R306-T308 PolarHBondContact O-N 3.32Å; R306-T308 VanDerWaalsContact O-N 3.1Å; R306-Q315 VanDerWaalsContact NE-OE1 3.08Å
307H35.5Very low38.8Very low71 Ų71102.5 Ų102.533%0.32954%0.543SS..  trans-69.6105164.8-67.5-71.1000109.1V305 C309 F319 L322V305-H307 PolarHBondContact O-N 3.28Å; V305-H307 VanDerWaalsContact O-N 3.14Å; H307-C309 PolarHBondContact O-N 3.48Å; H307-F319 AromaticContact NE2-CD2 3.69Å; H307-L322 HydrophobicContact CB-CD1 4.17Å; H307-L322 HydrophobicContact CB-CD2 3.82Å
308T22.4Very low38.3Very low131 Ų13199.9 Ų99.980%0.80454%0.538SS*.  trans-74.9117.5176.7440000110.4R306R306-T308 PolarHBondContact O-N 3.32Å; R306-T308 VanDerWaalsContact O-N 3.1Å
309C28.3Very low37.1Very low41 Ų41104.4 Ų104.428%0.27756%0.558SS.*  trans-84.4133.8166.9-172.10000109.2H307 R311H307-C309 PolarHBondContact O-N 3.48Å; C309-R311 PolarHBondContact O-N 3.3Å
310S29.8Very low36.5Very low128 Ų128104 Ų10490%0.89557%0.565SS**SBendtrans-79.349.9-179-169.20000113.6
311R25.5Very low36Very low196 Ų196104.1 Ų104.174%0.7457%0.568SS**SBendtrans-139.9139.2158.2-83.5-176.193.598.3-6.3108.4C309 G313C309-R311 PolarHBondContact O-N 3.3Å; R311-G313 PolarHBondContact O-N 3.09Å
312P27.4Very low35.2Very low142 Ų142101.2 Ų101.292%0.92255%0.554SS**THydrogen-bonded Turntrans-68.2124.5-173.927.1-33.9000111.3
313G38.8Very low34.7Very low84 Ų84102.4 Ų102.487%0.86657%0.566SS**THydrogen-bonded Turntrans123.1-3.916100000118.5R311R311-G313 PolarHBondContact O-N 3.09Å
314S31.2Very low34.3Very low41 Ų41102.8 Ų102.829%0.28756%0.56SS.*  trans-121.3109.3-179.654.50000113.7
315Q33.2Very low34.2Very low135 Ų13598.9 Ų98.963%0.63154%0.542SS*.  trans-99.2133.1171.2-56.3-175.715.300108.7R306R306-Q315 VanDerWaalsContact NE-OE1 3.08Å
316F36.8Very low34.5Very low87 Ų87100 Ų10038%0.38255%0.549SS..  trans-133.5128.8-179.4-62.7-72.6000111.9N318F316-N318 VanDerWaalsContact C-N 3.27Å; F316-N318 PolarHBondContact O-N 3.14Å
317D38.8Very low34.9Very low135 Ų135101.8 Ų101.872%0.72256%0.557SS**SBendtrans-84.714.5-172.7-49.7-47.6000114.5
318N39.3Very low34.8Very low72 Ų72104 Ų10439%0.38557%0.57SS.*  trans-145.9131.9-173.7-78.4-74.5000113.5F316 S320 T321F316-N318 VanDerWaalsContact C-N 3.27Å; F316-N318 PolarHBondContact O-N 3.14Å; N318-S320 VanDerWaalsContact C-N 3.29Å; N318-S320 PolarHBondContact O-N 3.14Å; N318-T321 WeakPolarHBondContact CB-OG1 3.39Å; N318-T321 PolarHBondContact O-N 3.02Å; N318-T321 VanDerWaalsContact O-N 3.13Å; N318-T321 PolarHBondContact O-OG1 3.36Å
319F35.2Very low35.4Very low117 Ų117104.2 Ų104.251%0.51357%0.566SS.*Hα-helixtrans-58.8-37.3171.8-173.3-102.9000112.7H307 T321 L322 T323H307-F319 AromaticContact NE2-CD2 3.69Å; F319-T321 PolarHBondContact O-N 2.92Å; F319-T321 VanDerWaalsContact O-N 3.12Å; F319-L322 WeakPolarHBondContact O-CB 3.46Å; F319-L322 PolarHBondContact O-N 3.04Å; F319-T323 PolarHBondContact O-N 3.49Å; F319-T323 PolarHBondContact O-OG1 3.17Å
320S39.6Very low35.7Very low70 Ų70111.4 Ų111.449%0.4959%0.592SS.*Hα-helixtrans-63.3-16.2177.3-52.60000114.6N318N318-S320 VanDerWaalsContact C-N 3.29Å; N318-S320 PolarHBondContact O-N 3.14Å
321T43.5Very low35.8Very low55 Ų55110.6 Ų110.634%0.33758%0.584SS.*Hα-helixtrans-92.4-18.9172.317.10000113.1N318 F319 F324 H325N318-T321 WeakPolarHBondContact CB-OG1 3.39Å; N318-T321 PolarHBondContact O-N 3.02Å; N318-T321 VanDerWaalsContact O-N 3.13Å; N318-T321 PolarHBondContact O-OG1 3.36Å; F319-T321 PolarHBondContact O-N 2.92Å; F319-T321 VanDerWaalsContact O-N 3.12Å; T321-F324 VanDerWaalsContact O-CB 3.28Å; T321-F324 WeakPolarHBondContact O-CB 3.29Å; T321-F324 PolarHBondContact O-N 3.31Å; T321-H325 PolarHBondContact O-N 3.17Å
322L38.5Very low36.3Very low51 Ų51108.4 Ų108.427%0.26759%0.587SS.*Hα-helixtrans-76.6-46.5-179.4-166.574.1000111.3H307 F319 F324 H325H307-L322 HydrophobicContact CB-CD1 4.17Å; H307-L322 HydrophobicContact CB-CD2 3.82Å; F319-L322 WeakPolarHBondContact O-CB 3.46Å; F319-L322 PolarHBondContact O-N 3.04Å; L322-F324 PolarHBondContact O-N 3.47Å; L322-F324 VanDerWaalsContact O-N 3.08Å; L322-H325 PolarHBondContact O-N 3.43Å; L322-H325 VanDerWaalsContact O-N 3.16Å
323T37.2Very low36.5Very low91 Ų91106.6 Ų106.656%0.55856%0.564SS**Hα-helixtrans-59.7-18.3169.6-22.40000112.4F319 T326F319-T323 PolarHBondContact O-N 3.49Å; F319-T323 PolarHBondContact O-OG1 3.17Å; T323-T326 PolarHBondContact O-OG1 3.05Å
324F33.6Very low36.2Very low98 Ų98105.8 Ų105.843%0.4355%0.545SS..Hα-helixtrans-86-20.4-177.8-146.1-90.2000113.5T321 L322 F333 L337T321-F324 VanDerWaalsContact O-CB 3.28Å; T321-F324 WeakPolarHBondContact O-CB 3.29Å; T321-F324 PolarHBondContact O-N 3.31Å; L322-F324 PolarHBondContact O-N 3.47Å; L322-F324 VanDerWaalsContact O-N 3.08Å; F324-F333 HydrophobicContact CE1-CE1 4.23Å; F324-F333 HydrophobicContact CE1-CZ 4.19Å; F324-F333 AromaticContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CE1 4.49Å; F324-F333 AromaticContact CE2-CE2 3.4Å; F324-F333 HydrophobicContact CE2-CE2 3.4Å; F324-F333 VanDerWaalsContact CE2-CE2 3.4Å; F324-F333 AromaticContact CE2-CZ 3.72Å; F324-F333 HydrophobicContact CE2-CZ 3.72Å; F324-F333 AromaticContact CZ-CD1 3.94Å; F324-F333 HydrophobicContact CZ-CD1 3.94Å; F324-F333 AromaticContact CZ-CD2 3.64Å; F324-F333 HydrophobicContact CZ-CD2 3.64Å; F324-F333 AromaticContact CZ-CE1 3.57Å; F324-F333 HydrophobicContact CZ-CE1 3.57Å; F324-F333 AromaticContact CZ-CE2 3.25Å; F324-F333 HydrophobicContact CZ-CE2 3.25Å; F324-F333 AromaticContact CZ-CG 3.97Å; F324-F333 HydrophobicContact CZ-CG 3.97Å; F324-F333 AromaticContact CZ-CZ 3.22Å; F324-F333 HydrophobicContact CZ-CZ 3.22Å; F324-L337 HydrophobicContact CE2-CD1 4.17Å
325H40.4Very low36.1Very low77 Ų77111.1 Ų111.136%0.35657%0.567SS.*Hα-helixtrans-91.3-18.5-178.9-166-72.4000113T321 L322 I328T321-H325 PolarHBondContact O-N 3.17Å; L322-H325 PolarHBondContact O-N 3.43Å; L322-H325 VanDerWaalsContact O-N 3.16Å; H325-I328 WeakPolarHBondContact O-CD1 3.46Å; H325-I328 WeakPolarHBondContact O-CG1 3.33Å
326T38.7Very low36Very low119 Ų119113 Ų11373%0.7357%0.574SS**SBendtrans-85.7-11.1-178.144.50000114.4T323T323-T326 PolarHBondContact O-OG1 3.05Å
327Y39.3Very low35.9Very low197 Ų197114.1 Ų114.177%0.77358%0.583SS**  trans-120.455.4178.5-157.4-95.9000112.4N329Y327-N329 PolarHBondContact O-N 3.36Å; Y327-N329 VanDerWaalsContact O-N 3.11Å
328I34Very low35.8Very low117 Ų117111.5 Ų111.560%0.659%0.588SS**  trans-82.382.1175-58.9172.1000109.1H325H325-I328 WeakPolarHBondContact O-CD1 3.46Å; H325-I328 WeakPolarHBondContact O-CG1 3.33Å
329N33.7Very low36.2Very low136 Ų136112.4 Ų112.473%0.72759%0.593SS**  trans-158.970.9164.9-102.6-43.4000114.7Y327Y327-N329 PolarHBondContact O-N 3.36Å; Y327-N329 VanDerWaalsContact O-N 3.11Å
330K35.5Very low36.4Very low191 Ų191112.8 Ų112.883%0.8359%0.592SS**  trans51.4-164.2161.7-72.8-179.6174.3175.20115.6L332K330-L332 PolarHBondContact O-N 3.37Å
331P31.4Very low36.9Very low111 Ų111117.4 Ų117.472%0.72160%0.603SS**SBend-98.4-0.4-69.834.7-31.6000113.8F333P331-F333 PolarHBondContact O-N 3.02Å; P331-F333 VanDerWaalsContact O-N 3.15Å
332L35.5Very low37Very low151 Ų151116 Ų11679%0.79159%0.593SS**G310 helixtrans-71.4-8.4-171.8-71.2169.1000114.5K330 C334K330-L332 PolarHBondContact O-N 3.37Å; L332-C334 VanDerWaalsContact C-N 3.33Å; L332-C334 PolarHBondContact O-N 3.22Å
333F32.6Very low37.4Very low103 Ų103117.5 Ų117.545%0.45260%0.599SS.*G310 helixtrans-75.4-13-169.7-178.3-109.5000115.5F324 P331 M335 L337F324-F333 HydrophobicContact CE1-CE1 4.23Å; F324-F333 HydrophobicContact CE1-CZ 4.19Å; F324-F333 AromaticContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CD2 3.96Å; F324-F333 HydrophobicContact CE2-CE1 4.49Å; F324-F333 AromaticContact CE2-CE2 3.4Å; F324-F333 HydrophobicContact CE2-CE2 3.4Å; F324-F333 VanDerWaalsContact CE2-CE2 3.4Å; F324-F333 AromaticContact CE2-CZ 3.72Å; F324-F333 HydrophobicContact CE2-CZ 3.72Å; F324-F333 AromaticContact CZ-CD1 3.94Å; F324-F333 HydrophobicContact CZ-CD1 3.94Å; F324-F333 AromaticContact CZ-CD2 3.64Å; F324-F333 HydrophobicContact CZ-CD2 3.64Å; F324-F333 AromaticContact CZ-CE1 3.57Å; F324-F333 HydrophobicContact CZ-CE1 3.57Å; F324-F333 AromaticContact CZ-CE2 3.25Å; F324-F333 HydrophobicContact CZ-CE2 3.25Å; F324-F333 AromaticContact CZ-CG 3.97Å; F324-F333 HydrophobicContact CZ-CG 3.97Å; F324-F333 AromaticContact CZ-CZ 3.22Å; F324-F333 HydrophobicContact CZ-CZ 3.22Å; P331-F333 PolarHBondContact O-N 3.02Å; P331-F333 VanDerWaalsContact O-N 3.15Å; F333-M335 PolarHBondContact O-N 2.98Å; F333-L337 HydrophobicContact CE2-CB 4.09Å; F333-L337 HydrophobicContact CE2-CD1 3.78Å; F333-L337 HydrophobicContact CE2-CG 3.66Å; F333-L337 HydrophobicContact CZ-CB 3.7Å; F333-L337 HydrophobicContact CZ-CD1 3.65Å; F333-L337 HydrophobicContact CZ-CG 3.7Å
334C32.8Very low37.7Very low68 Ų68118.4 Ų118.446%0.45960%0.595SS.*G310 helixtrans-59.1-20.9-179.3-169.10000114L332 H343L332-C334 VanDerWaalsContact C-N 3.33Å; L332-C334 PolarHBondContact O-N 3.22Å; C334-H343 VanDerWaalsContact SG-CD2 3.57Å
335M28.2Very low38.3Very low153 Ų153114.1 Ų114.175%0.75458%0.576SS**G310 helixtrans-88.8-22.4-169.5-172.9155.250.400115.3F333F333-M335 PolarHBondContact O-N 2.98Å
336F32.3Very low38.7Very low175 Ų175114.6 Ų114.677%0.76859%0.585SS**THydrogen-bonded Turntrans-114-23.8-157.9-144.2-99.5000118.7
337L33.8Very low38.8Very low109 Ų109115.7 Ų115.757%0.57158%0.581SS**SBendtrans-112.2113.7-176.7-68.1-167.1000115.7F324 F333 N339F324-L337 HydrophobicContact CE2-CD1 4.17Å; F333-L337 HydrophobicContact CE2-CB 4.09Å; F333-L337 HydrophobicContact CE2-CD1 3.78Å; F333-L337 HydrophobicContact CE2-CG 3.66Å; F333-L337 HydrophobicContact CZ-CB 3.7Å; F333-L337 HydrophobicContact CZ-CD1 3.65Å; F333-L337 HydrophobicContact CZ-CG 3.7Å; L337-N339 PolarHBondContact O-N 2.99Å
338G37.6Very low39.1Very low81 Ų81109.4 Ų109.484%0.83557%0.566SS**SBend75.2-18.3125.800000118.9
339N46.2Very low39.9Very low91 Ų91106.2 Ų106.249%0.48756%0.562SS.*  trans-154.632.3177.7-112.2-27.3000112.7L337 K341 N342 H343L337-N339 PolarHBondContact O-N 2.99Å; N339-K341 PolarHBondContact O-N 3.22Å; N339-K341 VanDerWaalsContact O-N 3.09Å; N339-N342 HydrophobicContact CB-CB 4.32Å; N339-N342 PolarHBondContact O-N 2.79Å; N339-N342 PolarHBondContact OD1-ND2 3.22Å; N339-H343 PolarHBondContact O-N 3.48Å
340Y40.9Very low40.6Very low125 Ų125104.9 Ų104.949%0.4955%0.552SS.*Hα-helixtrans-48-41.3-178.8172.4-100000113.1H343 K344Y340-H343 PolarHBondContact O-N 3.42Å; Y340-K344 HydrophobicContact CE1-CD 4.02Å; Y340-K344 WeakPolarHBondContact O-CB 3.37Å; Y340-K344 PolarHBondContact O-N 3.14Å; Y340-K344 PolarHBondContact OH-NZ 3.45Å
341K48.8Very low41.5Very low167 Ų167100.9 Ų100.973%0.72653%0.534SS*.Hα-helixtrans-55.5-58.6173.7-65.7-171.9177.6-172.70110.7N339 H343 K344 L345N339-K341 PolarHBondContact O-N 3.22Å; N339-K341 VanDerWaalsContact O-N 3.09Å; K341-H343 VanDerWaalsContact C-N 3.35Å; K341-H343 PolarHBondContact O-N 3.34Å; K341-K344 WeakPolarHBondContact O-CB 3.43Å; K341-K344 PolarHBondContact O-N 3.47Å; K341-K344 VanDerWaalsContact O-N 3.14Å; K341-L345 WeakPolarHBondContact O-CG 3.45Å; K341-L345 PolarHBondContact O-N 2.98Å
342N45.4Very low43.1Very low24 Ų24100.8 Ų100.813%0.12852%0.524CS..Hα-helixtrans-64.9-31.5-177.6-69.7-27.3000114.4N339 Q364N339-N342 HydrophobicContact CB-CB 4.32Å; N339-N342 PolarHBondContact O-N 2.79Å; N339-N342 PolarHBondContact OD1-ND2 3.22Å; N342-Q364 PolarHBondContact ND2-NE2 3.14Å; N342-Q364 PolarHBondContact ND2-OE1 3.39Å
343H47.3Very low44.4Very low83 Ų8397 Ų9738%0.38450%0.5SS..Hα-helixtrans-76.5-33.6173.2-176.261.5000112.2C334 N339 Y340 K341 L345 T346 H347C334-H343 VanDerWaalsContact SG-CD2 3.57Å; N339-H343 PolarHBondContact O-N 3.48Å; Y340-H343 PolarHBondContact O-N 3.42Å; K341-H343 VanDerWaalsContact C-N 3.35Å; K341-H343 PolarHBondContact O-N 3.34Å; H343-L345 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 3.34Å; H343-T346 PolarHBondContact O-N 2.68Å; H343-T346 PolarHBondContact O-OG1 2.67Å; H343-H347 AromaticContact CD2-NE2 3.79Å; H343-H347 AromaticContact CE1-NE2 3.4Å; H343-H347 PolarHBondContact CE1-NE2 3.07Å; H343-H347 AromaticContact NE2-CD2 3.77Å; H343-H347 AromaticContact NE2-NE2 3.03Å; H343-H347 PolarHBondContact NE2-NE2 3.39Å; H343-H347 PolarHBondContact O-CD2 3.38Å; H343-H347 VanDerWaalsContact O-CD2 3.28Å
344K44Very low46Very low111 Ų11199 Ų9948%0.48351%0.508SS..Hα-helixtrans-64.2-35.7170.2-167.1177.8-171.7172.60111.3Y340 K341 T346 H347 S348Y340-K344 HydrophobicContact CE1-CD 4.02Å; Y340-K344 WeakPolarHBondContact O-CB 3.37Å; Y340-K344 PolarHBondContact O-N 3.14Å; Y340-K344 PolarHBondContact OH-NZ 3.45Å; K341-K344 WeakPolarHBondContact O-CB 3.43Å; K341-K344 PolarHBondContact O-N 3.47Å; K341-K344 VanDerWaalsContact O-N 3.14Å; K344-T346 PolarHBondContact O-N 2.92Å; K344-H347 PolarHBondContact O-N 2.94Å; K344-S348 VanDerWaalsContact O-CB 3.26Å; K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.48Å
345L47.1Very low47.9Very low7 Ų795.8 Ų95.84%0.03749%0.487CS..Hα-helixtrans-60.3-29.2172.9-63.1-179.2000113.4K341 H343 G349 E350 Q352 H363K341-L345 WeakPolarHBondContact O-CG 3.45Å; K341-L345 PolarHBondContact O-N 2.98Å; H343-L345 VanDerWaalsContact C-N 3.29Å; H343-L345 PolarHBondContact O-N 3.34Å; L345-G349 PolarHBondContact O-N 3Å; L345-G349 VanDerWaalsContact O-N 3.08Å; L345-E350 HydrophobicContact CD2-CB 3.64Å; L345-Q352 HydrophobicContact CD1-CB 4.5Å; L345-Q352 HydrophobicContact CD1-CG 3.92Å; L345-Q352 HydrophobicContact CD2-CG 3.96Å; L345-H363 HydrophobicContact CB-CB 4.46Å
346T47Very low49.9Very low88 Ų8893.3 Ų93.354%0.5449%0.485SS..Hα-helixtrans-74.1-24.3173.840.10000114H343 K344H343-T346 PolarHBondContact O-N 2.68Å; H343-T346 PolarHBondContact O-OG1 2.67Å; K344-T346 PolarHBondContact O-N 2.92Å
347H41.6Very low51.7Low141 Ų14189.8 Ų89.865%0.65347%0.473SS*.Hα-helixtrans-88.1-29.7171.1-63-70.6000112.6H343 K344H343-H347 AromaticContact CD2-NE2 3.79Å; H343-H347 AromaticContact CE1-NE2 3.4Å; H343-H347 PolarHBondContact CE1-NE2 3.07Å; H343-H347 AromaticContact NE2-CD2 3.77Å; H343-H347 AromaticContact NE2-NE2 3.03Å; H343-H347 PolarHBondContact NE2-NE2 3.39Å; H343-H347 PolarHBondContact O-CD2 3.38Å; H343-H347 VanDerWaalsContact O-CD2 3.28Å; K344-H347 PolarHBondContact O-N 2.94Å
348S44.8Very low53.7Low65 Ų6587 Ų8746%0.45546%0.462SS..Hα-helixtrans-91.9-6.7-174.4-159.90000114.3K344 E350K344-S348 VanDerWaalsContact O-CB 3.26Å; K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.48Å; S348-E350 PolarHBondContact O-N 3.5Å
349G51.4Low55.1Low50 Ų5089.1 Ų89.152%0.51545%0.454SS..  trans69-12.1-177.400000115.9L345 K351 H363L345-G349 PolarHBondContact O-N 3Å; L345-G349 VanDerWaalsContact O-N 3.08Å; G349-K351 PolarHBondContact O-N 3.18Å; G349-H363 PolarHBondContact O-CE1 2.67Å
350E47.7Very low56.3Low109 Ų10991 Ų9151%0.50946%0.458SS..  trans-64.2124-176.1-73-175.9-176.600113L345 S348 H363L345-E350 HydrophobicContact CD2-CB 3.64Å; S348-E350 PolarHBondContact O-N 3.5Å; E350-H363 PolarHBondContact O-ND1 3.2Å
351K55.9Low57.5Low106 Ų10686.5 Ų86.546%0.46145%0.446SS..  trans-110.591.6-179.9-72.1165170.9-179.90109.6G349 Y353 A361 F362 H363G349-K351 PolarHBondContact O-N 3.18Å; K351-Y353 PolarHBondContact O-N 3.44Å; K351-A361 HydrophobicContact CB-CB 3.41Å; K351-A361 VanDerWaalsContact CB-CB 3.41Å; K351-A361 HydrophobicContact CD-CB 4.11Å; K351-A361 WeakPolarHBondContact CD-O 3.26Å; K351-A361 HydrophobicContact CG-CB 4.33Å; K351-F362 CarbonylContact C-O 3.21Å; K351-H363 WeakPolarHBondContact CE-NE2 3.44Å; K351-H363 WeakPolarHBondContact CG-CE1 3.41Å; K351-H363 WeakPolarHBondContact CG-NE2 3.26Å
352Q63.3Low58.4Low109 Ų10980.8 Ų80.851%0.50942%0.421SS..  trans-71.9-23.7-170.5-65.2-173.3-2200114.4L345 F362L345-Q352 HydrophobicContact CD1-CB 4.5Å; L345-Q352 HydrophobicContact CD1-CG 3.92Å; L345-Q352 HydrophobicContact CD2-CG 3.96Å; Q352-F362 PolarHBondContact N-O 3.16Å
353Y63.7Low58.8Low72 Ų7281.9 Ų81.928%0.28243%0.426SS..EExtended strand (participates in β ladder)trans-10799.8-172.9-60.5-77.2000111.1K351 A361 F362 Q364 I365K351-Y353 PolarHBondContact O-N 3.44Å; Y353-A361 CarbonylContact O-C 3.6Å; Y353-A361 WeakPolarHBondContact O-CA 3.45Å; Y353-F362 PolarHBondContact N-O 3.37Å; Y353-F362 PolarHBondContact O-N 3.45Å; Y353-Q364 VanDerWaalsContact CD2-C 3.49Å; Y353-I365 HydrophobicContact CD1-CB 3.95Å; Y353-I365 HydrophobicContact CD1-CD1 4.39Å; Y353-I365 HydrophobicContact CD1-CG1 4.03Å; Y353-I365 HydrophobicContact CD2-CB 4.49Å; Y353-I365 HydrophobicContact CE1-CB 3.79Å; Y353-I365 HydrophobicContact CE1-CD1 4.03Å; Y353-I365 HydrophobicContact CE1-CG1 4.04Å; Y353-I365 HydrophobicContact CE2-CB 4.33Å; Y353-I365 HydrophobicContact CG-CB 4.29Å
354K66.6Low59.6Low145 Ų14579.5 Ų79.563%0.6341%0.414SS*.EExtended strand (participates in β ladder)trans-92.1140.2-179.3-63.2-177.6-178.5177.90112.1A361K354-A361 HydrophobicContact CG-CB 3.95Å
355C71.7Confident60.6Low1 Ų178.9 Ų78.91%0.00742%0.416CS..  trans-73.4125.4169.7176.60000111I357 C358 N359 K360 L368 H371 M372C355-I357 VanDerWaalsContact C-N 3.26Å; C355-I357 PolarHBondContact O-N 3.38Å; C355-I357 PolarHBondContact SG-N 3.04Å; C355-C358 PolarHBondContact SG-N 3.06Å; C355-C358 VanDerWaalsContact SG-N 3.43Å; C355-N359 WeakPolarHBondContact O-CA 3.2Å; C355-N359 PolarHBondContact O-N 3.48Å; C355-K360 HydrophobicContact CB-CB 4.4Å; C355-K360 VanDerWaalsContact CB-O 3.24Å; C355-K360 WeakPolarHBondContact CB-O 3.33Å; C355-K360 PolarHBondContact N-O 3.01Å; C355-L368 HydrophobicContact CB-CD1 3.94Å; C355-H371 VanDerWaalsContact SG-CD2 3.55Å; C355-H371 PolarHBondContact SG-NE2 3.11Å; C355-M372 WeakPolarHBondContact SG-CE 3.44Å
356S70.3Confident61.5Low101 Ų10184.2 Ų84.271%0.70644%0.436SS*.THydrogen-bonded Turntrans-68.1-21.9177.947.80000114.3
357I70.4Confident62.5Low101 Ų10183 Ų8352%0.51843%0.426SS..THydrogen-bonded Turntrans-95.2-40-172-57.5175000112.1C355 M372 H375C355-I357 VanDerWaalsContact C-N 3.26Å; C355-I357 PolarHBondContact O-N 3.38Å; C355-I357 PolarHBondContact SG-N 3.04Å; I357-M372 HydrophobicContact CB-CE 4.39Å; I357-M372 HydrophobicContact CD1-CE 3.76Å; I357-M372 HydrophobicContact CG1-CE 4.05Å; I357-H375 HydrophobicContact CD1-CB 3.57Å; I357-H375 HydrophobicContact CG2-CB 4.48Å; I357-H375 WeakPolarHBondContact CG2-ND1 3.5Å
358C76.2Confident63.8Low50 Ų5077.5 Ų77.534%0.33840%0.402SS..THydrogen-bonded Turntrans-130.317.2-179.972.70000114.7C355 K360 H371 H375C355-C358 PolarHBondContact SG-N 3.06Å; C355-C358 VanDerWaalsContact SG-N 3.43Å; C358-K360 PolarHBondContact O-N 3.25Å; C358-H371 PolarHBondContact SG-NE2 3.01Å; C358-H375 PolarHBondContact SG-CE1 2.8Å; C358-H375 PolarHBondContact SG-NE2 3.11Å
359N67.3Low65Low126 Ų12677.9 Ų77.967%0.67440%0.401SS*.  trans55.67.6175.7-73.5-50.2000116.7C355 A361C355-N359 WeakPolarHBondContact O-CA 3.2Å; C355-N359 PolarHBondContact O-N 3.48Å; N359-A361 PolarHBondContact O-N 3.2Å
360K70.1Confident65.7Low131 Ų13178.9 Ų78.957%0.5739%0.391SS*.  trans-61.9125.4173.4-72-173.5-179-174.60110.3C355 C358 F362C355-K360 HydrophobicContact CB-CB 4.4Å; C355-K360 VanDerWaalsContact CB-O 3.24Å; C355-K360 WeakPolarHBondContact CB-O 3.33Å; C355-K360 PolarHBondContact N-O 3.01Å; C358-K360 PolarHBondContact O-N 3.25Å; K360-F362 HydrophobicContact CB-CE2 3.93Å; K360-F362 HydrophobicContact CB-CZ 4.07Å; K360-F362 WeakPolarHBondContact O-CD2 3.41Å; K360-F362 VanDerWaalsContact O-CE2 3.26Å; K360-F362 WeakPolarHBondContact O-CE2 3.48Å
361A66.4Low66.9Low29 Ų2974.8 Ų74.824%0.2437%0.372CS..EExtended strand (participates in β ladder)trans-101141.3-176.300000111.4K351 Y353 K354 N359K351-A361 HydrophobicContact CB-CB 3.41Å; K351-A361 VanDerWaalsContact CB-CB 3.41Å; K351-A361 HydrophobicContact CD-CB 4.11Å; K351-A361 WeakPolarHBondContact CD-O 3.26Å; K351-A361 HydrophobicContact CG-CB 4.33Å; Y353-A361 CarbonylContact O-C 3.6Å; Y353-A361 WeakPolarHBondContact O-CA 3.45Å; K354-A361 HydrophobicContact CG-CB 3.95Å; N359-A361 PolarHBondContact O-N 3.2Å
362F68.4Low67.2Low47 Ų4771.7 Ų71.721%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-127.4149-177.7-58.7-88000110.5K351 Q352 Y353 K360 Q364 N367 L368 H371K351-F362 CarbonylContact C-O 3.21Å; Q352-F362 PolarHBondContact N-O 3.16Å; Y353-F362 PolarHBondContact N-O 3.37Å; Y353-F362 PolarHBondContact O-N 3.45Å; K360-F362 HydrophobicContact CB-CE2 3.93Å; K360-F362 HydrophobicContact CB-CZ 4.07Å; K360-F362 WeakPolarHBondContact O-CD2 3.41Å; K360-F362 VanDerWaalsContact O-CE2 3.26Å; K360-F362 WeakPolarHBondContact O-CE2 3.48Å; F362-Q364 PolarHBondContact O-N 3.37Å; F362-N367 HydrophobicContact CB-CB 4.17Å; F362-N367 HydrophobicContact CD1-CB 3.92Å; F362-N367 HydrophobicContact CG-CB 4.26Å; F362-L368 HydrophobicContact CD2-CB 4.07Å; F362-L368 HydrophobicContact CD2-CD1 4.07Å; F362-L368 HydrophobicContact CE2-CD1 4.25Å; F362-L368 HydrophobicContact CG-CB 4.5Å; F362-H371 HydrophobicContact CE1-CB 4.16Å; F362-H371 HydrophobicContact CE2-CB 3.77Å; F362-H371 AromaticContact CE2-CD2 3.35Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.27Å; F362-H371 AromaticContact CE2-CG 3.6Å; F362-H371 HydrophobicContact CZ-CB 3.48Å; F362-H371 VanDerWaalsContact CZ-CB 3.48Å; F362-H371 AromaticContact CZ-CD2 3.54Å; F362-H371 AromaticContact CZ-CG 3.33Å; F362-H371 AromaticContact CZ-ND1 3.96Å
363H53.4Low67.6Low48 Ų4868.8 Ų68.822%0.22235%0.346CS..SBendtrans-78.2-5.9175-55.1-81.5000113.3L345 G349 E350 K351L345-H363 HydrophobicContact CB-CB 4.46Å; G349-H363 PolarHBondContact O-CE1 2.67Å; E350-H363 PolarHBondContact O-ND1 3.2Å; K351-H363 WeakPolarHBondContact CE-NE2 3.44Å; K351-H363 WeakPolarHBondContact CG-CE1 3.41Å; K351-H363 WeakPolarHBondContact CG-NE2 3.26Å
364Q65Low67.7Low32 Ų3269 Ų6915%0.1536%0.355CS..SBendtrans-145.4136.6-169.2-71.5-73.38.300111.3N342 Y353 F362 Y366 N367 L368N342-Q364 PolarHBondContact ND2-NE2 3.14Å; N342-Q364 PolarHBondContact ND2-OE1 3.39Å; Y353-Q364 VanDerWaalsContact CD2-C 3.49Å; F362-Q364 PolarHBondContact O-N 3.37Å; Q364-Y366 HydrophobicContact CB-CD1 3.85Å; Q364-Y366 HydrophobicContact CB-CE1 3.5Å; Q364-Y366 HydrophobicContact CB-CE2 4.47Å; Q364-Y366 HydrophobicContact CB-CG 4.47Å; Q364-Y366 HydrophobicContact CG-CD1 4.38Å; Q364-Y366 HydrophobicContact CG-CE1 3.56Å; Q364-Y366 PolarHBondContact O-N 3.11Å; Q364-N367 HydrophobicContact CB-CB 4.21Å; Q364-N367 PolarHBondContact O-N 2.92Å; Q364-L368 PolarHBondContact O-N 3.3Å
365I65.1Low67.7Low99 Ų9965 Ų6551%0.50834%0.338SS..Hα-helixtrans-64.1-38.5-178.5-162.4167.8000112.4Y353 N367 L368 T369Y353-I365 HydrophobicContact CD1-CB 3.95Å; Y353-I365 HydrophobicContact CD1-CD1 4.39Å; Y353-I365 HydrophobicContact CD1-CG1 4.03Å; Y353-I365 HydrophobicContact CD2-CB 4.49Å; Y353-I365 HydrophobicContact CE1-CB 3.79Å; Y353-I365 HydrophobicContact CE1-CD1 4.03Å; Y353-I365 HydrophobicContact CE1-CG1 4.04Å; Y353-I365 HydrophobicContact CE2-CB 4.33Å; Y353-I365 HydrophobicContact CG-CB 4.29Å; I365-N367 VanDerWaalsContact C-N 3.3Å; I365-N367 PolarHBondContact O-N 2.94Å; I365-L368 WeakPolarHBondContact O-CB 3.49Å; I365-L368 PolarHBondContact O-N 3.13Å; I365-L368 VanDerWaalsContact O-N 3.14Å; I365-T369 PolarHBondContact O-N 3.07Å; I365-T369 PolarHBondContact O-OG1 3.18Å; I365-T369 VanDerWaalsContact O-OG1 3.06Å
366Y64.4Low67.3Low119 Ų11969.2 Ų69.247%0.46736%0.361SS..Hα-helixtrans-65-33.4177.766.5-96.5000112.6Q364 T369 F370Q364-Y366 HydrophobicContact CB-CD1 3.85Å; Q364-Y366 HydrophobicContact CB-CE1 3.5Å; Q364-Y366 HydrophobicContact CB-CE2 4.47Å; Q364-Y366 HydrophobicContact CB-CG 4.47Å; Q364-Y366 HydrophobicContact CG-CD1 4.38Å; Q364-Y366 HydrophobicContact CG-CE1 3.56Å; Q364-Y366 PolarHBondContact O-N 3.11Å; Y366-T369 PolarHBondContact O-N 3.37Å; Y366-F370 HydrophobicContact CD2-CD2 4.35Å; Y366-F370 HydrophobicContact CD2-CE2 4.29Å; Y366-F370 WeakPolarHBondContact O-CD2 3.48Å; Y366-F370 PolarHBondContact O-N 2.91Å
367N69.8Low66.9Low61 Ų6170.2 Ų70.233%0.32636%0.359SS..Hα-helixtrans-68.3-38.4174.5-76.7-29.6000111.2F362 Q364 I365 H371F362-N367 HydrophobicContact CB-CB 4.17Å; F362-N367 HydrophobicContact CD1-CB 3.92Å; F362-N367 HydrophobicContact CG-CB 4.26Å; Q364-N367 HydrophobicContact CB-CB 4.21Å; Q364-N367 PolarHBondContact O-N 2.92Å; I365-N367 VanDerWaalsContact C-N 3.3Å; I365-N367 PolarHBondContact O-N 2.94Å; N367-H371 WeakPolarHBondContact O-CB 3.49Å; N367-H371 PolarHBondContact O-N 3.2Å
368L67.5Low66.3Low27 Ų2772.2 Ų72.214%0.14136%0.363CS..Hα-helixtrans-62.9-45.4170.3173.660.5000110.9C355 F362 Q364 I365 F370 H371 M372C355-L368 HydrophobicContact CB-CD1 3.94Å; F362-L368 HydrophobicContact CD2-CB 4.07Å; F362-L368 HydrophobicContact CD2-CD1 4.07Å; F362-L368 HydrophobicContact CE2-CD1 4.25Å; F362-L368 HydrophobicContact CG-CB 4.5Å; Q364-L368 PolarHBondContact O-N 3.3Å; I365-L368 WeakPolarHBondContact O-CB 3.49Å; I365-L368 PolarHBondContact O-N 3.13Å; I365-L368 VanDerWaalsContact O-N 3.14Å; L368-F370 PolarHBondContact O-N 3.28Å; L368-H371 CarbonylContact O-C 3.57Å; L368-H371 WeakPolarHBondContact O-CB 3.3Å; L368-H371 PolarHBondContact O-N 2.98Å; L368-H371 VanDerWaalsContact O-N 3.1Å; L368-M372 HydrophobicContact CD1-CG 4.07Å; L368-M372 HydrophobicContact CD1-SD 4.36Å; L368-M372 HydrophobicContact CG-CG 4.38Å; L368-M372 VanDerWaalsContact O-CG 3.23Å; L368-M372 WeakPolarHBondContact O-CG 3.48Å; L368-M372 PolarHBondContact O-N 3.44Å
369T69.7Low65.9Low72 Ų7274.7 Ų74.744%0.44237%0.368SS..Hα-helixtrans-57.1-47.9176.4-52.50000111.7I365 Y366 H371 M372 H373I365-T369 PolarHBondContact O-N 3.07Å; I365-T369 PolarHBondContact O-OG1 3.18Å; I365-T369 VanDerWaalsContact O-OG1 3.06Å; Y366-T369 PolarHBondContact O-N 3.37Å; T369-H371 VanDerWaalsContact C-N 3.32Å; T369-H371 PolarHBondContact O-N 3.18Å; T369-M372 PolarHBondContact O-N 3.27Å; T369-H373 PolarHBondContact O-CE1 3.24Å; T369-H373 PolarHBondContact O-ND1 2.96Å
370F66Low66Low71 Ų7172.1 Ų72.131%0.31136%0.359SS..Hα-helixtrans-65-34.2175.3-70.9-56.2000113.1Y366 L368 M372 H373 F381 C391 R392Y366-F370 HydrophobicContact CD2-CD2 4.35Å; Y366-F370 HydrophobicContact CD2-CE2 4.29Å; Y366-F370 WeakPolarHBondContact O-CD2 3.48Å; Y366-F370 PolarHBondContact O-N 2.91Å; L368-F370 PolarHBondContact O-N 3.28Å; F370-M372 VanDerWaalsContact C-N 3.35Å; F370-H373 WeakPolarHBondContact O-CB 3.34Å; F370-H373 PolarHBondContact O-N 3.36Å; F370-F381 HydrophobicContact CE1-CE2 4.36Å; F370-C391 VanDerWaalsContact CD1-O 3.28Å; F370-C391 WeakPolarHBondContact CD1-O 3.38Å; F370-R392 HydrophobicContact CB-CG 4.22Å; F370-R392 HydrophobicContact CD1-CG 3.99Å; F370-R392 HydrophobicContact CG-CG 4.03Å
371H72.8Confident66.1Low23 Ų2368.7 Ų68.711%0.10634%0.344CS..Hα-helixtrans-67.2-33.6173.3176.454.8000112.7C355 C358 F362 N367 L368 T369 H373 T374 H375C355-H371 VanDerWaalsContact SG-CD2 3.55Å; C355-H371 PolarHBondContact SG-NE2 3.11Å; C358-H371 PolarHBondContact SG-NE2 3.01Å; F362-H371 HydrophobicContact CE1-CB 4.16Å; F362-H371 HydrophobicContact CE2-CB 3.77Å; F362-H371 AromaticContact CE2-CD2 3.35Å; F362-H371 WeakPolarHBondContact CE2-CD2 3.27Å; F362-H371 AromaticContact CE2-CG 3.6Å; F362-H371 HydrophobicContact CZ-CB 3.48Å; F362-H371 VanDerWaalsContact CZ-CB 3.48Å; F362-H371 AromaticContact CZ-CD2 3.54Å; F362-H371 AromaticContact CZ-CG 3.33Å; F362-H371 AromaticContact CZ-ND1 3.96Å; N367-H371 WeakPolarHBondContact O-CB 3.49Å; N367-H371 PolarHBondContact O-N 3.2Å; L368-H371 CarbonylContact O-C 3.57Å; L368-H371 WeakPolarHBondContact O-CB 3.3Å; L368-H371 PolarHBondContact O-N 2.98Å; L368-H371 VanDerWaalsContact O-N 3.1Å; T369-H371 VanDerWaalsContact C-N 3.32Å; T369-H371 PolarHBondContact O-N 3.18Å; H371-H373 PolarHBondContact O-N 3.45Å; H371-T374 PolarHBondContact ND1-OG1 3.32Å; H371-T374 PolarHBondContact O-N 3.48Å; H371-T374 PolarHBondContact O-OG1 3Å; H371-H375 AromaticContact CD2-NE2 3.94Å; H371-H375 AromaticContact CE1-CD2 3.91Å; H371-H375 AromaticContact CE1-NE2 3.21Å; H371-H375 PolarHBondContact CE1-NE2 3.44Å; H371-H375 AromaticContact NE2-CD2 3.76Å; H371-H375 AromaticContact NE2-NE2 3.03Å; H371-H375 PolarHBondContact NE2-NE2 3.07Å
372M63.8Low66.4Low42 Ų4271.7 Ų71.721%0.20736%0.359CS..Hα-helixtrans-65.2-23.9176.8-63.1-90.162.400112.7C355 I357 L368 T369 F370 T374 H375 N376C355-M372 WeakPolarHBondContact SG-CE 3.44Å; I357-M372 HydrophobicContact CB-CE 4.39Å; I357-M372 HydrophobicContact CD1-CE 3.76Å; I357-M372 HydrophobicContact CG1-CE 4.05Å; L368-M372 HydrophobicContact CD1-CG 4.07Å; L368-M372 HydrophobicContact CD1-SD 4.36Å; L368-M372 HydrophobicContact CG-CG 4.38Å; L368-M372 VanDerWaalsContact O-CG 3.23Å; L368-M372 WeakPolarHBondContact O-CG 3.48Å; L368-M372 PolarHBondContact O-N 3.44Å; T369-M372 PolarHBondContact O-N 3.27Å; F370-M372 VanDerWaalsContact C-N 3.35Å; M372-T374 PolarHBondContact O-N 3.07Å; M372-H375 HydrophobicContact CE-CB 4.5Å; M372-H375 PolarHBondContact O-N 3.34Å; M372-N376 PolarHBondContact O-N 3.42Å; M372-N376 PolarHBondContact O-ND2 3.11Å
373H70.3Confident66.9Low48 Ų4869.5 Ų69.522%0.22235%0.35CS..THydrogen-bonded Turntrans-68.7-16.5171.2-66.384.3000113.4T369 F370 H371 H375 K378 C391T369-H373 PolarHBondContact O-CE1 3.24Å; T369-H373 PolarHBondContact O-ND1 2.96Å; F370-H373 WeakPolarHBondContact O-CB 3.34Å; F370-H373 PolarHBondContact O-N 3.36Å; H371-H373 PolarHBondContact O-N 3.45Å; H373-H375 VanDerWaalsContact C-N 3.34Å; H373-K378 WeakPolarHBondContact CB-O 3.42Å; H373-K378 PolarHBondContact CD2-O 3.23Å; H373-K378 VanDerWaalsContact CD2-O 3.29Å; H373-C391 HydrophobicContact CB-CB 4.05Å
374T65.9Low67.9Low76 Ų7672.4 Ų72.447%0.46638%0.382SS..THydrogen-bonded Turntrans-84.7-6.8174.475.30000113.7H371 M372H371-T374 PolarHBondContact ND1-OG1 3.32Å; H371-T374 PolarHBondContact O-N 3.48Å; H371-T374 PolarHBondContact O-OG1 3Å; M372-T374 PolarHBondContact O-N 3.07Å
375H67.4Low68.2Low60 Ų6075.7 Ų75.728%0.27840%0.404SS..THydrogen-bonded Turntrans-105.8-22.5176.3-66.9-77.3000113.1I357 C358 H371 M372 H373I357-H375 HydrophobicContact CD1-CB 3.57Å; I357-H375 HydrophobicContact CG2-CB 4.48Å; I357-H375 WeakPolarHBondContact CG2-ND1 3.5Å; C358-H375 PolarHBondContact SG-CE1 2.8Å; C358-H375 PolarHBondContact SG-NE2 3.11Å; H371-H375 AromaticContact CD2-NE2 3.94Å; H371-H375 AromaticContact CE1-CD2 3.91Å; H371-H375 AromaticContact CE1-NE2 3.21Å; H371-H375 PolarHBondContact CE1-NE2 3.44Å; H371-H375 AromaticContact NE2-CD2 3.76Å; H371-H375 AromaticContact NE2-NE2 3.03Å; H371-H375 PolarHBondContact NE2-NE2 3.07Å; M372-H375 HydrophobicContact CE-CB 4.5Å; M372-H375 PolarHBondContact O-N 3.34Å; H373-H375 VanDerWaalsContact C-N 3.34Å
376N62.8Low68.8Low90 Ų9073.4 Ų73.448%0.48140%0.397SS..SBendtrans-100.71.7-177.2-72.1-93.5000112.5M372 K378M372-N376 PolarHBondContact O-N 3.42Å; M372-N376 PolarHBondContact O-ND2 3.11Å; N376-K378 HydrophobicContact CB-CB 4.45Å; N376-K378 HydrophobicContact CB-CD 4.27Å; N376-K378 HydrophobicContact CB-CG 4.29Å; N376-K378 PolarHBondContact O-N 3.29Å
377D61.8Low69.2Low123 Ų12370.4 Ų70.466%0.65840%0.402SS*.  trans49.21.2-168.8-77.4-58.7000117.5K379D377-K379 PolarHBondContact O-N 3.45Å
378K58.8Low69.5Low142 Ų14273.6 Ų73.662%0.61741%0.413SS*.  trans-62.1104.2174.1-71.7174.9-174.7178.60109.2H373 N376 P380H373-K378 WeakPolarHBondContact CB-O 3.42Å; H373-K378 PolarHBondContact CD2-O 3.23Å; H373-K378 VanDerWaalsContact CD2-O 3.29Å; N376-K378 HydrophobicContact CB-CB 4.45Å; N376-K378 HydrophobicContact CB-CD 4.27Å; N376-K378 HydrophobicContact CB-CG 4.29Å; N376-K378 PolarHBondContact O-N 3.29Å; K378-P380 VanDerWaalsContact C-CD 3.48Å; K378-P380 WeakPolarHBondContact O-CD 3.29Å
379K67.2Low69.7Low102 Ų10273.4 Ų73.444%0.44342%0.418SS..  trans-101.983174-77.7154.5171.91670109.3D377 F381 G389 F390D377-K379 PolarHBondContact O-N 3.45Å; K379-F381 PolarHBondContact O-N 3.12Å; K379-F381 VanDerWaalsContact O-N 3.09Å; K379-G389 WeakPolarHBondContact CD-O 3.44Å; K379-F390 CarbonylContact C-O 3.55Å
380P69.1Low69.9Low73 Ų7372 Ų7247%0.47441%0.406SS..  trans-67.7-9-172.827.7-37.2000114.4K378K378-P380 VanDerWaalsContact C-CD 3.48Å; K378-P380 WeakPolarHBondContact O-CD 3.29Å
381F72.3Confident69.9Low59 Ų5969.9 Ų69.926%0.25940%0.399SS..EExtended strand (participates in β ladder)trans-115.590.8179.3-56.6-69.5000110.1F370 K379 F390 N393 L396F370-F381 HydrophobicContact CE1-CE2 4.36Å; K379-F381 PolarHBondContact O-N 3.12Å; K379-F381 VanDerWaalsContact O-N 3.09Å; F381-F390 HydrophobicContact CB-CB 4.44Å; F381-F390 PolarHBondContact N-O 3.42Å; F381-F390 PolarHBondContact O-N 3.38Å; F381-N393 HydrophobicContact CD1-CB 4.06Å; F381-N393 HydrophobicContact CD2-CB 4.37Å; F381-N393 HydrophobicContact CE1-CB 3.94Å; F381-N393 HydrophobicContact CE2-CB 4.26Å; F381-N393 HydrophobicContact CG-CB 4.27Å; F381-N393 HydrophobicContact CZ-CB 4.05Å; F381-L396 HydrophobicContact CB-CB 4.29Å; F381-L396 HydrophobicContact CB-CD2 3.86Å
382T72.2Confident69.6Low91 Ų9174.5 Ų74.556%0.55842%0.416SS*.EExtended strand (participates in β ladder)trans-87145.2173.447.40000111.5
383C78.8Confident69.9Low2 Ų275.7 Ų75.71%0.01442%0.423CS..  trans-82.4119.3168.1-1770000109.6T385 C386 G387 K388 F390 L396 H404C383-T385 PolarHBondContact O-N 3.12Å; C383-C386 PolarHBondContact O-N 3.5Å; C383-C386 VanDerWaalsContact SG-SG 3.68Å; C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.03Å; C383-K388 PolarHBondContact N-O 3.45Å; C383-F390 HydrophobicContact CB-CE2 4.4Å; C383-L396 HydrophobicContact CB-CD1 3.57Å; C383-H404 VanDerWaalsContact SG-CD2 3.54Å; C383-H404 PolarHBondContact SG-NE2 3.27Å
384A74.3Confident70.1Confident109 Ų10979.7 Ų79.790%0.90144%0.44SS*.THydrogen-bonded Turntrans-59.3-35.3177.300000112.7
385T72.9Confident70.5Confident100 Ų10078 Ų7861%0.61343%0.428SS*.THydrogen-bonded Turntrans-75.9-22.4-175.6-36.70000114.2C383C383-T385 PolarHBondContact O-N 3.12Å
386C77.6Confident70.9Confident51 Ų5176 Ų7635%0.34542%0.42SS..THydrogen-bonded Turntrans-143.37.9-174.775.90000115.5C383 K388 H399C383-C386 PolarHBondContact O-N 3.5Å; C383-C386 VanDerWaalsContact SG-SG 3.68Å; C386-K388 PolarHBondContact O-N 3.31Å; C386-H399 PolarHBondContact SG-NE2 3.29Å
387G72.1Confident71.6Confident57 Ų5777.7 Ų77.759%0.58842%0.423SS*.  trans68-11.2-179.800000116.3C383 G389C383-G387 WeakPolarHBondContact O-CA 3.48Å; C383-G387 PolarHBondContact O-N 3.03Å; G387-G389 PolarHBondContact O-N 3.33Å
388K75.3Confident72.3Confident127 Ų12776.7 Ų76.755%0.55241%0.412SS*.  trans-64.3123-174.3-68.7-179.3-179.3177.40111.4C383 C386 F390C383-K388 PolarHBondContact N-O 3.45Å; C386-K388 PolarHBondContact O-N 3.31Å; K388-F390 HydrophobicContact CB-CE2 3.91Å; K388-F390 HydrophobicContact CB-CZ 4.11Å; K388-F390 VanDerWaalsContact O-CD2 3.31Å; K388-F390 WeakPolarHBondContact O-CD2 3.3Å; K388-F390 WeakPolarHBondContact O-CE2 3.29Å
389G73.2Confident73.3Confident23 Ų2371 Ų7124%0.23739%0.388CS..EExtended strand (participates in β ladder)trans-88.4137.5177.500000113.6K379 G387K379-G389 WeakPolarHBondContact CD-O 3.44Å; G387-G389 PolarHBondContact O-N 3.33Å
390F73.9Confident73.8Confident42 Ų4268.6 Ų68.618%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-124.5148.1178.9-60-89.3000111.5K379 F381 C383 K388 D395 L396 H399K379-F390 CarbonylContact C-O 3.55Å; F381-F390 HydrophobicContact CB-CB 4.44Å; F381-F390 PolarHBondContact N-O 3.42Å; F381-F390 PolarHBondContact O-N 3.38Å; C383-F390 HydrophobicContact CB-CE2 4.4Å; K388-F390 HydrophobicContact CB-CE2 3.91Å; K388-F390 HydrophobicContact CB-CZ 4.11Å; K388-F390 VanDerWaalsContact O-CD2 3.31Å; K388-F390 WeakPolarHBondContact O-CD2 3.3Å; K388-F390 WeakPolarHBondContact O-CE2 3.29Å; F390-D395 HydrophobicContact CB-CB 4.49Å; F390-D395 HydrophobicContact CD1-CB 3.98Å; F390-L396 HydrophobicContact CB-CB 4.34Å; F390-L396 HydrophobicContact CD2-CB 3.99Å; F390-L396 HydrophobicContact CD2-CD1 3.78Å; F390-L396 HydrophobicContact CD2-CG 4.48Å; F390-L396 HydrophobicContact CE2-CD1 3.95Å; F390-L396 HydrophobicContact CG-CB 4.28Å; F390-H399 HydrophobicContact CE1-CB 4.07Å; F390-H399 HydrophobicContact CE2-CB 4.04Å; F390-H399 AromaticContact CE2-CD2 3.78Å; F390-H399 AromaticContact CE2-CG 3.75Å; F390-H399 HydrophobicContact CZ-CB 3.56Å; F390-H399 AromaticContact CZ-CD2 3.82Å; F390-H399 AromaticContact CZ-CG 3.34Å; F390-H399 AromaticContact CZ-ND1 3.55Å
391C64.9Low74.2Confident27 Ų2771.8 Ų71.818%0.18238%0.382CS..SBendtrans-82.9-13177.2-50.80000113.1F370 H373F370-C391 VanDerWaalsContact CD1-O 3.28Å; F370-C391 WeakPolarHBondContact CD1-O 3.38Å; H373-C391 HydrophobicContact CB-CB 4.05Å
392R66.9Low74.3Confident121 Ų12175.9 Ų75.946%0.45740%0.4SS..SBendtrans-137136.8-179.3-57.8-179.1-61.9-171.53.6111.3F370 F394 D395 L396F370-R392 HydrophobicContact CB-CG 4.22Å; F370-R392 HydrophobicContact CD1-CG 3.99Å; F370-R392 HydrophobicContact CG-CG 4.03Å; R392-F394 VanDerWaalsContact C-N 3.28Å; R392-F394 PolarHBondContact O-N 3.33Å; R392-D395 IonicContact CZ-OD1 2.67Å; R392-D395 IonicContact CZ-OD2 3.78Å; R392-D395 IonicContact NE-OD1 3.64Å; R392-D395 IonicContact NE-OD2 3.88Å; R392-D395 PolarHBondContact NE-OD2 3.33Å; R392-D395 VanDerWaalsContact NH2-CG 3.27Å; R392-D395 IonicContact NH2-OD1 3.91Å; R392-D395 PolarHBondContact NH2-OD1 3.03Å; R392-D395 IonicContact NH2-OD2 2.96Å; R392-D395 PolarHBondContact NH2-OD2 3.15Å; R392-D395 PolarHBondContact O-N 3.41Å; R392-D395 VanDerWaalsContact O-N 3.12Å; R392-L396 PolarHBondContact O-N 3.5Å
393N71Confident74.3Confident67 Ų6776.8 Ų76.836%0.35840%0.4SS..Hα-helixtrans-60.5-34.7178.3-168.9-79.6000112.9F381 D395 L396 K397F381-N393 HydrophobicContact CD1-CB 4.06Å; F381-N393 HydrophobicContact CD2-CB 4.37Å; F381-N393 HydrophobicContact CE1-CB 3.94Å; F381-N393 HydrophobicContact CE2-CB 4.26Å; F381-N393 HydrophobicContact CG-CB 4.27Å; F381-N393 HydrophobicContact CZ-CB 4.05Å; N393-D395 VanDerWaalsContact C-N 3.33Å; N393-D395 PolarHBondContact O-N 3.19Å; N393-L396 PolarHBondContact O-N 2.96Å; N393-K397 PolarHBondContact O-N 3.33Å; N393-K397 VanDerWaalsContact OD1-CE 3.24Å; N393-K397 WeakPolarHBondContact OD1-CE 3.44Å
394F74.6Confident74Confident131 Ų13178.7 Ų78.758%0.57541%0.409SS*.Hα-helixtrans-61.3-39.2175.4178.8-93.6000112.7R392 K397 K398R392-F394 VanDerWaalsContact C-N 3.28Å; R392-F394 PolarHBondContact O-N 3.33Å; F394-K397 PolarHBondContact O-N 2.77Å; F394-K398 HydrophobicContact CE1-CD 4.35Å; F394-K398 WeakPolarHBondContact O-CB 3.38Å; F394-K398 PolarHBondContact O-N 3.41Å
395D74.4Confident73.4Confident40 Ų4079.1 Ų79.121%0.21439%0.393CS..Hα-helixtrans-69.8-39.4178.3-62.4-36.8000110.7F390 R392 N393 K398 H399F390-D395 HydrophobicContact CB-CB 4.49Å; F390-D395 HydrophobicContact CD1-CB 3.98Å; R392-D395 IonicContact CZ-OD1 2.67Å; R392-D395 IonicContact CZ-OD2 3.78Å; R392-D395 IonicContact NE-OD1 3.64Å; R392-D395 IonicContact NE-OD2 3.88Å; R392-D395 PolarHBondContact NE-OD2 3.33Å; R392-D395 VanDerWaalsContact NH2-CG 3.27Å; R392-D395 IonicContact NH2-OD1 3.91Å; R392-D395 PolarHBondContact NH2-OD1 3.03Å; R392-D395 IonicContact NH2-OD2 2.96Å; R392-D395 PolarHBondContact NH2-OD2 3.15Å; R392-D395 PolarHBondContact O-N 3.41Å; R392-D395 VanDerWaalsContact O-N 3.12Å; N393-D395 VanDerWaalsContact C-N 3.33Å; N393-D395 PolarHBondContact O-N 3.19Å; D395-K398 PolarHBondContact O-N 3.46Å; D395-H399 VanDerWaalsContact O-CB 3.3Å; D395-H399 WeakPolarHBondContact O-CB 3.49Å; D395-H399 PolarHBondContact O-N 3.31Å
396L75.7Confident72.6Confident19 Ų1979.2 Ų79.210%0.09940%0.397CS..Hα-helixtrans-59.5-48.3171175.461.5000111.6F381 C383 F390 R392 N393 K398 H399 I400F381-L396 HydrophobicContact CB-CB 4.29Å; F381-L396 HydrophobicContact CB-CD2 3.86Å; C383-L396 HydrophobicContact CB-CD1 3.57Å; F390-L396 HydrophobicContact CB-CB 4.34Å; F390-L396 HydrophobicContact CD2-CB 3.99Å; F390-L396 HydrophobicContact CD2-CD1 3.78Å; F390-L396 HydrophobicContact CD2-CG 4.48Å; F390-L396 HydrophobicContact CE2-CD1 3.95Å; F390-L396 HydrophobicContact CG-CB 4.28Å; R392-L396 PolarHBondContact O-N 3.5Å; N393-L396 PolarHBondContact O-N 2.96Å; L396-K398 PolarHBondContact O-N 3.2Å; L396-H399 WeakPolarHBondContact O-CB 3.49Å; L396-H399 PolarHBondContact O-N 3.48Å; L396-H399 VanDerWaalsContact O-N 3.14Å; L396-I400 HydrophobicContact CD1-CD1 3.81Å; L396-I400 HydrophobicContact CD1-CG1 4.05Å; L396-I400 HydrophobicContact CG-CD1 3.89Å; L396-I400 WeakPolarHBondContact O-CG1 3.47Å; L396-I400 PolarHBondContact O-N 3.3Å
397K76.4Confident71.2Confident126 Ų12679.9 Ų79.955%0.54841%0.412SS..Hα-helixtrans-66.1-23.3176.2-73.2-172.1176.1-171.80113.8N393 F394 R401N393-K397 PolarHBondContact O-N 3.33Å; N393-K397 VanDerWaalsContact OD1-CE 3.24Å; N393-K397 WeakPolarHBondContact OD1-CE 3.44Å; F394-K397 PolarHBondContact O-N 2.77Å; K397-R401 WeakPolarHBondContact O-CB 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.39Å; K397-R401 PolarHBondContact O-N 3.27Å; K397-R401 PolarHBondContact O-NE 3.31Å
398K76.9Confident69.6Low102 Ų10285.4 Ų85.444%0.44342%0.421SS..Hα-helixtrans-81.3-34.3172.2-176.3-179.7177.6-175.90111.2F394 D395 L396 K402F394-K398 HydrophobicContact CE1-CD 4.35Å; F394-K398 WeakPolarHBondContact O-CB 3.38Å; F394-K398 PolarHBondContact O-N 3.41Å; D395-K398 PolarHBondContact O-N 3.46Å; L396-K398 PolarHBondContact O-N 3.2Å; K398-K402 HydrophobicContact CG-CD 4.24Å; K398-K402 VanDerWaalsContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CG 3.35Å; K398-K402 PolarHBondContact O-N 2.89Å
399H79.5Confident68Low21 Ų2185.5 Ų85.510%0.09744%0.437CS..Hα-helixtrans-65.3-51.8174.2169.879000111.2C386 F390 D395 L396 K402 L403 H404C386-H399 PolarHBondContact SG-NE2 3.29Å; F390-H399 HydrophobicContact CE1-CB 4.07Å; F390-H399 HydrophobicContact CE2-CB 4.04Å; F390-H399 AromaticContact CE2-CD2 3.78Å; F390-H399 AromaticContact CE2-CG 3.75Å; F390-H399 HydrophobicContact CZ-CB 3.56Å; F390-H399 AromaticContact CZ-CD2 3.82Å; F390-H399 AromaticContact CZ-CG 3.34Å; F390-H399 AromaticContact CZ-ND1 3.55Å; D395-H399 VanDerWaalsContact O-CB 3.3Å; D395-H399 WeakPolarHBondContact O-CB 3.49Å; D395-H399 PolarHBondContact O-N 3.31Å; L396-H399 WeakPolarHBondContact O-CB 3.49Å; L396-H399 PolarHBondContact O-N 3.48Å; L396-H399 VanDerWaalsContact O-N 3.14Å; H399-K402 PolarHBondContact O-N 2.87Å; H399-K402 VanDerWaalsContact O-N 3.16Å; H399-L403 WeakPolarHBondContact ND1-CD1 3.35Å; H399-L403 PolarHBondContact O-N 3.19Å; H399-H404 AromaticContact CD2-NE2 3.88Å; H399-H404 AromaticContact NE2-CD2 3.81Å; H399-H404 AromaticContact NE2-NE2 3.18Å; H399-H404 PolarHBondContact NE2-NE2 3.29Å; H399-H404 VanDerWaalsContact NE2-NE2 3.18Å
400I76.9Confident66.5Low52 Ų5287.9 Ų87.927%0.26746%0.455SS..Hα-helixtrans-57.5-53.1177.5-63.6167.1000110.4L396 K402 L403 H404 E405L396-I400 HydrophobicContact CD1-CD1 3.81Å; L396-I400 HydrophobicContact CD1-CG1 4.05Å; L396-I400 HydrophobicContact CG-CD1 3.89Å; L396-I400 WeakPolarHBondContact O-CG1 3.47Å; L396-I400 PolarHBondContact O-N 3.3Å; I400-K402 PolarHBondContact O-N 3.19Å; I400-L403 PolarHBondContact O-N 3.09Å; I400-H404 HydrophobicContact CG2-CB 4.3Å; I400-H404 PolarHBondContact O-N 3.38Å; I400-E405 PolarHBondContact O-N 3.17Å
401R78.6Confident64.9Low141 Ų14191.7 Ų91.753%0.53248%0.481SS..Hα-helixtrans-56.1-25.3176.8-81.5-175-62.5159.91115.9K397 E405K397-R401 WeakPolarHBondContact O-CB 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.39Å; K397-R401 PolarHBondContact O-N 3.27Å; K397-R401 PolarHBondContact O-NE 3.31Å; R401-E405 VanDerWaalsContact CA-OE2 3.24Å; R401-E405 WeakPolarHBondContact CA-OE2 3.46Å; R401-E405 WeakPolarHBondContact CG-OE2 3.44Å; R401-E405 PolarHBondContact N-OE2 3.1Å
402K74.2Confident63.5Low144 Ų14496.6 Ų96.663%0.62652%0.516SS*.Hα-helixtrans-100.2-20.1-176.2-81-175.9163.6-107.30114.7K398 H399 I400K398-K402 HydrophobicContact CG-CD 4.24Å; K398-K402 VanDerWaalsContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CB 3.31Å; K398-K402 WeakPolarHBondContact O-CG 3.35Å; K398-K402 PolarHBondContact O-N 2.89Å; H399-K402 PolarHBondContact O-N 2.87Å; H399-K402 VanDerWaalsContact O-N 3.16Å; I400-K402 PolarHBondContact O-N 3.19Å
403L71.6Confident62Low110 Ų110100.1 Ų100.158%0.57654%0.537SS*.Hα-helixtrans-132.2-15.5-168.8-66.7171.7000114.2H399 I400H399-L403 WeakPolarHBondContact ND1-CD1 3.35Å; H399-L403 PolarHBondContact O-N 3.19Å; I400-L403 PolarHBondContact O-N 3.09Å
404H73.2Confident60.5Low42 Ų42100.2 Ų100.219%0.19455%0.547CS..THydrogen-bonded Turntrans-123.1-32179.9-57.8-51000112.8C383 H399 I400C383-H404 VanDerWaalsContact SG-CD2 3.54Å; C383-H404 PolarHBondContact SG-NE2 3.27Å; H399-H404 AromaticContact CD2-NE2 3.88Å; H399-H404 AromaticContact NE2-CD2 3.81Å; H399-H404 AromaticContact NE2-NE2 3.18Å; H399-H404 PolarHBondContact NE2-NE2 3.29Å; H399-H404 VanDerWaalsContact NE2-NE2 3.18Å; I400-H404 HydrophobicContact CG2-CB 4.3Å; I400-H404 PolarHBondContact O-N 3.38Å
405E62.3Low58.4Low119 Ų119101.3 Ų101.356%0.55656%0.559SS**THydrogen-bonded Turntrans-84.1-6.1179.9-105.2166129.900114.1I400 R401 G407I400-E405 PolarHBondContact O-N 3.17Å; R401-E405 VanDerWaalsContact CA-OE2 3.24Å; R401-E405 WeakPolarHBondContact CA-OE2 3.46Å; R401-E405 WeakPolarHBondContact CG-OE2 3.44Å; R401-E405 PolarHBondContact N-OE2 3.1Å; E405-G407 PolarHBondContact O-N 3.24Å
406S55.1Low56.5Low102 Ų102111.1 Ų111.171%0.71359%0.593SS**THydrogen-bonded Turntrans-8718.1172.461.10000113.5
407G49Very low54.3Low64 Ų64117.7 Ų117.766%0.6662%0.623SS**SBendtrans-151.16.7-177.700000115.5E405E405-G407 PolarHBondContact O-N 3.24Å
408F38.8Very low52.5Low174 Ų174117.5 Ų117.576%0.76363%0.634SS**  trans-120.570.6179.1-98.5-88.7000111.5
409S41.7Very low50.8Low129 Ų129121.8 Ų121.890%0.90266%0.656SS**SBendtrans-125.945.2162.9-177.30000110.3
410A40.7Very low48.8Very low73 Ų73130 Ų13060%0.60372%0.715SS**SBendtrans-158142.9165.400000109.7
411V40Very low47.4Very low122 Ų122133.9 Ų133.974%0.73974%0.738SS**  trans63.781.4167.4-158.50000117.1A414V411-A414 HydrophobicContact CG1-CB 4.41Å
412S35.9Very low45.7Very low129 Ų129133.5 Ų133.590%0.90275%0.749SS**SBendtrans-141.132.8136.467.80000112.4
413E36.3Very low44.1Very low196 Ų196132.9 Ų132.992%0.91676%0.755SS**SBendtrans-116.850.2171.4-165.2153.3-149.600109.5
414A38Very low42.5Very low69 Ų69134.2 Ų134.257%0.5777%0.766SS**  trans-157.456.8-179.300000112V411V411-A414 HydrophobicContact CG1-CB 4.41Å
415L32.3Very low40.6Very low154 Ų154140 Ų14081%0.80680%0.802SS**  trans-148.672.7149.4-140.780.6000110.1E417L415-E417 PolarHBondContact O-N 3.37Å
416R34.1Very low39.2Very low246 Ų246141.4 Ų141.493%0.92882%0.818SS**  trans-79.296.9163.2-167.8-174.2-144.1174.46.4106
417E28.6Very low38Very low156 Ų156144.2 Ų144.273%0.72983%0.825SS**PPolyproline II helixtrans-63.4133.9173.9-68.7-151.6139.900109.9L415L415-E417 PolarHBondContact O-N 3.37Å
418P38.5Very low37.2Very low122 Ų122150.4 Ų150.479%0.79284%0.838SS**PPolyproline II helixtrans-75.9121.5163.331.2-28.8000108
419Q42.1Very low37Very low193 Ų193148.4 Ų148.490%0.90284%0.844SS**PPolyproline II helixtrans-73.5136.8161-71.4-162-4000109
420S36.3Very low36.6Very low192 Ų192150.2 Ų150.2100%1.34384%0.839SS**  trans-60.30-178.556.70000114.1

Retrieved 420 of 420 residues in 232.2 ms (Link to these results)