A0A087Y8Y2_POEFO Loading...

Zinc finger protein 362a

AlphaFold DB , UniProt , Accession A0A087Y8Y2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 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
1M29.7Very low31.2Very low240 Ų240170.8 Ų170.8100%1.18285%0.848SS**  01020-73.9163.4164.700106.3
2A26.1Very low31.5Very low99 Ų99175.9 Ų175.982%0.81885%0.851SS**  74.4124103.900000111
3E29.9Very low32Very low186 Ų186170.2 Ų170.287%0.86984%0.836SS**  cis-157.2164.711.9-74.8-154.3117.800110.5
4P37.3Very low32.4Very low114 Ų114166.4 Ų166.474%0.7483%0.831SS**PPolyproline II helixtrans-96.314517535.4-27.7000113.8
5R33Very low32.9Very low249 Ų249163.1 Ų163.194%0.9483%0.825SS**PPolyproline II helixtrans-66.8128.8170.3-72.7179.9162.6129.2-3111.3N7R5-N7 PolarHBondContact O-N 3.43Å
6F30.6Very low33Very low217 Ų217160.3 Ų160.395%0.95282%0.822SS**PPolyproline II helixtrans-59.3122.6170.6-87.1-99.8000111.3
7N31.1Very low33.1Very low164 Ų164157.8 Ų157.888%0.87782%0.822SS**  trans-112.3115167.6-140.1-0.8000108.8R5R5-N7 PolarHBondContact O-N 3.43Å
8N31.5Very low33Very low130 Ų130158.9 Ų158.970%0.69583%0.825SS**  trans-90.5118.2-176.6179.68.2000109.8Y10N8-Y10 PolarHBondContact O-N 3.32Å
9P34.5Very low33.1Very low108 Ų108156.7 Ų156.770%0.70182%0.822SS**  trans-94.450.4-169.338-35.5000113.4
10Y31.3Very low33.1Very low170 Ų170152.7 Ų152.767%0.66782%0.82SS**  trans-135.567.7173.3-69.1-74000111.8N8N8-Y10 PolarHBondContact O-N 3.32Å
11F28.7Very low33Very low202 Ų202155 Ų15589%0.88683%0.825SS**  trans-125.6109.8161.6-136.1-97.3000107.4
12W34.8Very low33Very low232 Ų232151.6 Ų151.688%0.87981%0.807SS**PPolyproline II helixtrans-87.1125.3168.8-8179.4000107.5
13P37.2Very low33.2Very low102 Ų102154.8 Ų154.866%0.66281%0.805SS**PPolyproline II helixtrans-73.4151.116729.8-30.1000110.2
14P37.8Very low33.2Very low117 Ų117153.8 Ų153.876%0.7680%0.804SS**PPolyproline II helixtrans-67.6152.8175.729.2-32.9000111.1
15P39.9Very low33Very low116 Ų116157.9 Ų157.975%0.75382%0.816SS**PPolyproline II helixtrans-69.2146.9-177.928.4-33.6000111.9
16P34.9Very low32.9Very low118 Ų118150.8 Ų150.877%0.76681%0.811SS**PPolyproline II helixtrans-72.7137.8175.829-32.2000111.4M18P16-M18 PolarHBondContact O-N 3.36Å
17S33.8Very low32.8Very low119 Ų119148.3 Ų148.383%0.83280%0.803SS**PPolyproline II helixtrans-65.1123.6168.6-20.20000109.4
18M32.6Very low32.8Very low177 Ų177148.5 Ų148.587%0.87280%0.795SS**PPolyproline II helixtrans-81.9127.3174.2-72.8-70.7-123.600110.4P16P16-M18 PolarHBondContact O-N 3.36Å
19P33.5Very low32.8Very low117 Ų117150.3 Ų150.376%0.7680%0.803SS**PPolyproline II helixtrans-78.4153162.332.3-29.2000110.2
20G33.6Very low32.6Very low76 Ų76154.8 Ų154.878%0.78481%0.806SS**PPolyproline II helixtrans-63.6164-16800000116.3
21Q30.5Very low32.8Very low201 Ų201152.1 Ų152.194%0.93981%0.81SS**  trans-143.6102.9154.9-118.3179.6-17.400108.4
22E30Very low33.5Very low170 Ų170147.2 Ų147.279%0.79480%0.798SS**  trans-72.2154.2157.2-78.6-168.996.700110.4
23Q30.8Very low33.4Very low166 Ų166143 Ų14378%0.77679%0.788SS**  trans74.4109.3155.2-75.6165.5-5.900119.4
24L30.5Very low33.2Very low164 Ų164145.1 Ų145.186%0.85979%0.793SS**  179.5106.6102.9-94.9155.8000109.2
25M32.1Very low33.4Very low200 Ų200144.6 Ų144.699%0.98579%0.789SS**  trans-162.8123.8133.4-70.3-151.8-17900108.1
26A31.8Very low32.7Very low101 Ų101143.3 Ų143.384%0.83579%0.789SS**  trans-111.6167.7174.600000110.5
27E29Very low32.4Very low165 Ų165144.2 Ų144.277%0.77179%0.792SS**  trans82.5126.5-174.9-77.8-155.99900115.4
28K31.2Very low32.3Very low167 Ų167143.6 Ų143.673%0.72679%0.788SS**  cis-164.1142.212.4-159.5166.8-161.4138.50108
29I30.9Very low32.1Very low168 Ų168140.1 Ų140.186%0.86279%0.787SS**  trans162.7118.6141.2-78.2151.8000107.5
30R29.8Very low31.9Very low202 Ų202139.1 Ų139.176%0.76279%0.788SS**  trans-86.2156.7177.6-156.6-166.8-95.5-175.6-7.7109.9
31P35Very low31.6Very low115 Ų115140.7 Ų140.775%0.74779%0.788SS**  -145.4-166.995.941.3-22.6000111.9
32P44.3Very low31.8Very low98 Ų98140.2 Ų140.264%0.63679%0.785SS**  -109.7160.2-98.827.4-6.8000115.9
33H31.9Very low31.9Very low143 Ų143140.9 Ų140.966%0.66279%0.789SS**  trans25.9138.8138.1-63.9-90.7000119.3
34L33Very low32.9Very low147 Ų147137.4 Ų137.477%0.7778%0.78SS**  cis178.6-171.912.8-94.8164.2000104.5
35P41.4Very low32.6Very low106 Ų106136.4 Ų136.469%0.68878%0.775SS**  -125.2151-59.738.6-21.6000112
36A27.3Very low32.4Very low90 Ų90134.4 Ų134.474%0.74477%0.765SS**  74.9122.299.600000118.1
37V28.2Very low32.3Very low136 Ų136134.8 Ų134.882%0.82476%0.762SS**  -163.6108.4120-1000000107.9
38S30.6Very low32.9Very low107 Ų107133 Ų13375%0.74877%0.765SS**  76.6100.399.6-52.60000112.6
39A28.9Very low32.8Very low104 Ų104131.1 Ų131.186%0.8677%0.772SS**  79.2121.667.900000114.8
40A28.8Very low32.7Very low95 Ų95127 Ų12779%0.78577%0.771SS**  trans150.110414800000107.8
41S28.7Very low32.6Very low110 Ų110126.8 Ų126.877%0.76978%0.779SS**  59.2107.262.1-155.50000113.5
42Q33.9Very low32.2Very low191 Ų191126.1 Ų126.189%0.89378%0.782SS**  -175.8143.2125.6-96.4168.564.400110.9
43Q32.3Very low31.4Very low184 Ų184131.1 Ų131.186%0.8680%0.797SS**  trans-94.7-151.8-173-62.9-150.4-40.600112.8
44P51.2Low31.2Very low93 Ų93128.2 Ų128.260%0.60481%0.806SS**  -119.2-177.3-115.432.5-8.5000111.4
45L25Very low30.9Very low142 Ų142126.3 Ų126.374%0.74381%0.805SS**  trans165.8142.6130.8-115.272.1000113.5
46M26.4Very low30.4Very low159 Ų159129 Ų12978%0.78381%0.808SS**  trans75.5119.3142-58.9-73.590.900121.9
47S30.8Very low30.5Very low108 Ų108133.2 Ų133.276%0.75581%0.812SS**  trans-70.9165.1143.9-400000110.7
48P41.4Very low30.4Very low129 Ų129129.7 Ų129.784%0.83880%0.804SS**  -149.5178.698.335.5-15.6000116.1
49S29.9Very low30.5Very low127 Ų127133 Ų13389%0.88881%0.81SS**  trans-66.6165.2-167.6-39.20000118.5
50G27.2Very low30.6Very low80 Ų80132.5 Ų132.583%0.82580%0.8SS**  trans-165.3127.6160.200000112.7
51Q28Very low30.9Very low199 Ų199136.9 Ų136.993%0.9380%0.801SS**  trans-91.4166.1-174-64.2171.9-53.700113.5
52A27.5Very low30.9Very low100 Ų100135.3 Ų135.383%0.82680%0.795SS**  139155.9120.300000115.9
53E27.5Very low30.9Very low203 Ų203133.1 Ų133.195%0.94979%0.785SS**  trans-82175.2-155.4-58.3169.5100.900116.9
54G26.5Very low31Very low82 Ų82132.5 Ų132.585%0.84578%0.782SS**  trans164127.9156.500000116.7
55S27.5Very low30Very low108 Ų108130.8 Ų130.876%0.75578%0.781SS**  trans-97.6158.2-164.8-97.70000117
56Q30.3Very low30.2Very low161 Ų161130.3 Ų130.375%0.75279%0.79SS**  trans73.3152.7132.8-73.4179.5-15.800125.6
57H29.8Very low30.2Very low179 Ų179125.7 Ų125.783%0.82978%0.783SS**  trans84.3135.2164.8-64.3-64.3000117.6
58G26.9Very low29.9Very low63 Ų63128.2 Ų128.265%0.64979%0.787SS**  cis149.7125.18.800000107.5
59M32.9Very low29.2Very low175 Ų175130.6 Ų130.686%0.86279%0.787SS**  130.3122.5109.8-77.6-165.6109.600109.1
60S30.6Very low29.1Very low94 Ų94129.9 Ų129.966%0.65778%0.781SS**  83143.798.9-59.20000113.2
61K34Very low29.5Very low188 Ų188132 Ų13282%0.81778%0.781SS**  cis-169.8140.526.1-127.9167.6177.7-179.50107.5
62A30.2Very low29.4Very low76 Ų76127.8 Ų127.863%0.62877%0.773SS**  76.3147.8106.600000115.1
63Q33.8Very low29.8Very low145 Ų145128.8 Ų128.868%0.67877%0.771SS**  cis-168.1130.537.5-146.6148.6-39.300109.1
64Q34.6Very low29.8Very low171 Ų171124.8 Ų124.880%0.79977%0.766SS**  66.2149.7106.6-61.5170.33.700116.3
65G29.1Very low29.9Very low57 Ų57128.4 Ų128.459%0.58876%0.761SS**  cis-170.7152.69.200000109.8
66S29.6Very low30.5Very low133 Ų133129.3 Ų129.393%0.9376%0.764SS**  87139.19955.60000113.5
67G25.8Very low30.3Very low62 Ų62127.7 Ų127.764%0.63976%0.76SS**  cis-169.5155.87.500000109.8
68L25.1Very low30.3Very low160 Ų160127.7 Ų127.784%0.83877%0.765SS**  89.2119.1110.1-74.8166.3000116
69H26.1Very low30.3Very low180 Ų180128.5 Ų128.583%0.83377%0.765SS**  154.1122124.1-90.6-92.8000112.1
70S28.1Very low30Very low111 Ų111127.2 Ų127.278%0.77676%0.761SS**  trans-96157157.1-50.80000108.5
71P35.1Very low29.9Very low125 Ų125131.1 Ų131.181%0.81277%0.768SS**  -150.4159.293.635.7-16.3000116.2
72S25.9Very low29.5Very low111 Ų111126.8 Ų126.878%0.77677%0.768SS**  trans-65.8166.9158.6-60.10000110.7
73P36.9Very low29.5Very low120 Ų120134.7 Ų134.778%0.77978%0.781SS**  cis-152172.346.639.8-17.4000117.6
74S26.5Very low29.3Very low119 Ų119133.5 Ų133.583%0.83279%0.786SS**  trans154.9121.5134.761.60000113.5
75Q30Very low28.7Very low159 Ų159129.2 Ų129.274%0.74378%0.78SS**  trans-82.5172.2158.2-69.9-162.2-73.200110.9
76P39.2Very low28.6Very low127 Ų127132.5 Ų132.583%0.82579%0.794SS**  -139.5153.998.334.2-18.9000115.4
77D25.9Very low28.4Very low127 Ų127131.1 Ų131.168%0.67978%0.784SS**  trans-67.9153162.5-73.9-55.2000112.3
78I29.9Very low28.6Very low179 Ų179133.4 Ų133.492%0.91879%0.79SS**  trans-163.3144.9136.2-90.6146.5000108.8
79A26.3Very low28.6Very low79 Ų79131.5 Ų131.565%0.65379%0.785SS**  trans-100.1-177.2-158.600000115.7
80L26.4Very low28.7Very low149 Ų149129.2 Ų129.278%0.7878%0.784SS**  trans98113.6151.2-85.7109.9000121.2
81H28.6Very low28.6Very low176 Ų176126.7 Ų126.782%0.81578%0.775SS**  trans53.5117.9134.5-70.1-106.7000121.3
82A25.7Very low28.4Very low97 Ų97132.3 Ų132.380%0.80278%0.781SS**  -161.7120.6123.900000111.9
83R31.2Very low28.5Very low242 Ų242134.9 Ų134.991%0.91378%0.784SS**  trans-66.4155.4151.4-85.7174.9158.9-175-4.9108.6
84P28.9Very low28.3Very low119 Ų119137.5 Ų137.577%0.77379%0.79SS**  -129.7126.7116.6145.9000109.9
85A22.7Very low28.4Very low82 Ų82134.5 Ų134.568%0.67878%0.778SS**  70.7107.28900000112.2S87A85-S87 PolarHBondContact O-N 3.14Å
86S26.8Very low28.6Very low126 Ų126134 Ų13488%0.88178%0.78SS**  trans-43.3125.5162.347.60000112
87S25.7Very low28.6Very low103 Ų103131.6 Ų131.672%0.7276%0.763SS**  trans-133.9120.2151.357.20000109.4A85 V89A85-S87 PolarHBondContact O-N 3.14Å; S87-V89 PolarHBondContact O-N 3.26Å
88S29Very low29.2Very low110 Ų110132.9 Ų132.977%0.76977%0.77SS**  trans-56.1117.4161.5172.90000108.4
89V25Very low30Very low120 Ų120127.6 Ų127.673%0.72774%0.743SS**  trans-128.288.2160.8-179.10000107.8S87 G91S87-V89 PolarHBondContact O-N 3.26Å; V89-G91 PolarHBondContact O-N 3.4Å
90T29.4Very low30.7Very low132 Ų132128.5 Ų128.581%0.8174%0.737SS**  trans-53.8117.3147.341.20000109.1
91G24.8Very low31.4Very low58 Ų58128 Ų12860%0.59874%0.735SS**  trans156.2103.7165.700000115.7V89V89-G91 PolarHBondContact O-N 3.4Å
92R32Very low32.1Very low244 Ų244125.2 Ų125.292%0.92173%0.726SS**  trans43.2103.4144.2-60.8177.3-177.2148.70.5117.6
93I27.5Very low33.3Very low164 Ų164124.9 Ų124.984%0.84171%0.711SS**  trans-134.498.3136.8-59.1-172.6000108.2G95I93-G95 PolarHBondContact O-N 2.83Å; I93-G95 VanDerWaalsContact O-N 3.14Å
94L33.9Very low34.3Very low176 Ų176119.8 Ų119.892%0.92170%0.695SS**  trans-67.293.3149.2-87160.8000105.5
95G26.9Very low35.3Very low55 Ų55116.8 Ų116.857%0.56768%0.68SS**  trans-95.8101.617100000107.4I93 V97I93-G95 PolarHBondContact O-N 2.83Å; I93-G95 VanDerWaalsContact O-N 3.14Å; G95-V97 PolarHBondContact O-N 2.78Å
96D34.9Very low36.6Very low148 Ų148115.3 Ų115.379%0.79167%0.668SS**  trans-46125.4164.3-71.3-52.1000108.6N98D96-N98 PolarHBondContact O-N 3.22Å
97V39.6Very low37.9Very low77 Ų77112 Ų11247%0.46764%0.64SS.*  trans-64.495165.9179.20000105.2G95 L99G95-V97 PolarHBondContact O-N 2.78Å; V97-L99 HydrophobicContact CG1-CD2 4.49Å; V97-L99 PolarHBondContact O-N 3.3Å
98N38Very low39.1Very low154 Ų154114.2 Ų114.282%0.82464%0.637SS**  trans-7185.1-178.6-156.59.3000107.3D96 N100D96-N98 PolarHBondContact O-N 3.22Å; N98-N100 PolarHBondContact O-N 3.19Å
99L47.3Very low40.2Very low69 Ų69111.9 Ų111.936%0.36162%0.624SS.*  trans-63.4126.2163.6-65.4173.2000106.1V97 L107V97-L99 HydrophobicContact CG1-CD2 4.49Å; V97-L99 PolarHBondContact O-N 3.3Å; L99-L107 HydrophobicContact CD1-CD1 4.34Å
100N39.8Very low41.7Very low97 Ų97114.4 Ų114.452%0.51962%0.621SS.*  trans-51.7146.2-179-157.4-12.3000110.1N98 D102 D103 K104N98-N100 PolarHBondContact O-N 3.19Å; N100-D102 PolarHBondContact O-N 2.97Å; N100-D102 VanDerWaalsContact O-N 3.11Å; N100-D103 HydrophobicContact CB-CB 4.43Å; N100-D103 PolarHBondContact O-N 2.82Å; N100-K104 PolarHBondContact O-N 3.35Å
101L41.6Very low43.1Very low139 Ų139108.9 Ų108.973%0.72859%0.59SS**Hα-helixtrans-58.6-32-173.5-155.671.3000111.1A105L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 3.48Å
102D43.6Very low44.6Very low118 Ų118111.4 Ų111.463%0.63159%0.589SS**Hα-helixtrans-71.3-40.3176.5-56.5-39.6000112.7N100 K104 A105 A106N100-D102 PolarHBondContact O-N 2.97Å; N100-D102 VanDerWaalsContact O-N 3.11Å; D102-K104 VanDerWaalsContact C-N 3.34Å; D102-A105 PolarHBondContact O-N 3.01Å; D102-A106 WeakPolarHBondContact O-CB 3.36Å; D102-A106 PolarHBondContact O-N 3.43Å
103D50.8Low45.7Very low90 Ų90107.5 Ų107.548%0.48157%0.574SS.*Hα-helixtrans-68.3-36.5174.9-70.2-37.6000111.3N100 A105 A106 L107N100-D103 HydrophobicContact CB-CB 4.43Å; N100-D103 PolarHBondContact O-N 2.82Å; D103-A105 VanDerWaalsContact C-N 3.35Å; D103-A106 PolarHBondContact O-N 3.05Å; D103-L107 WeakPolarHBondContact O-CB 3.25Å; D103-L107 WeakPolarHBondContact O-CG 3.43Å; D103-L107 PolarHBondContact O-N 3.15Å
104K51.4Low47.3Very low134 Ų134101 Ų10158%0.58354%0.54SS*.Hα-helixtrans-67-38.1175.5-168.3174.6-176.4175.50111.3N100 D102 K108N100-K104 PolarHBondContact O-N 3.35Å; D102-K104 VanDerWaalsContact C-N 3.34Å; K104-K108 WeakPolarHBondContact O-CB 3.49Å; K104-K108 PolarHBondContact O-N 2.96Å
105A49.8Very low48.6Very low56 Ų5696.5 Ų96.546%0.46352%0.517SS..Hα-helixtrans-68.1-42.1174.200000111.8L101 D102 D103 K108 A109L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 3.48Å; D102-A105 PolarHBondContact O-N 3.01Å; D103-A105 VanDerWaalsContact C-N 3.35Å; A105-K108 PolarHBondContact O-N 3.39Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.4Å
106A51.6Low50.4Low52 Ų52100.7 Ų100.743%0.4352%0.516SS..Hα-helixtrans-65.2-42.417700000112.7D102 D103 K108 A109 R110D102-A106 WeakPolarHBondContact O-CB 3.36Å; D102-A106 PolarHBondContact O-N 3.43Å; D103-A106 PolarHBondContact O-N 3.05Å; A106-K108 VanDerWaalsContact C-N 3.34Å; A106-A109 PolarHBondContact O-N 3.5Å; A106-R110 PolarHBondContact O-N 3.2Å
107L52.8Low51.8Low57 Ų5797.2 Ų97.230%0.29850%0.495SS..Hα-helixtrans-65.8-37.1174-70.8170.5000111.8L99 D103 G111 P296L99-L107 HydrophobicContact CD1-CD1 4.34Å; D103-L107 WeakPolarHBondContact O-CB 3.25Å; D103-L107 WeakPolarHBondContact O-CG 3.43Å; D103-L107 PolarHBondContact O-N 3.15Å; L107-G111 PolarHBondContact O-N 3.49Å; L107-P296 VanDerWaalsContact CD2-O 3.32Å; L107-P296 WeakPolarHBondContact CD2-O 3.38Å
108K52.4Low53.2Low149 Ų14993.7 Ų93.765%0.64847%0.474SS*.Hα-helixtrans-67.9-41.9175.4-170178.6-178-173.30111.4K104 A105 A106 G111 L112K104-K108 WeakPolarHBondContact O-CB 3.49Å; K104-K108 PolarHBondContact O-N 2.96Å; A105-K108 PolarHBondContact O-N 3.39Å; A106-K108 VanDerWaalsContact C-N 3.34Å; K108-G111 PolarHBondContact O-N 2.74Å; K108-L112 HydrophobicContact CG-CD1 4.39Å; K108-L112 VanDerWaalsContact O-CG 3.22Å; K108-L112 WeakPolarHBondContact O-CG 3.48Å; K108-L112 PolarHBondContact O-N 3.42Å
109A50.2Low54.6Low60 Ų6094 Ų9450%0.49646%0.463SS..Hα-helixtrans-65.1-43.9177.200000112.1A105 A106 L112 W113A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.4Å; A106-A109 PolarHBondContact O-N 3.5Å; A109-L112 PolarHBondContact O-N 3.35Å; A109-W113 PolarHBondContact O-N 3.21Å; A109-W113 VanDerWaalsContact O-N 3.13Å
110R57.7Low55.4Low174 Ų17494 Ų9466%0.65746%0.462SS*.Hα-helixtrans-61.9-44.6172.1-78-178.6156-163.2-6112A106 L112 W113 E114A106-R110 PolarHBondContact O-N 3.2Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.29Å; R110-W113 PolarHBondContact O-N 2.97Å; R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 VanDerWaalsContact O-CG 3.24Å; R110-E114 WeakPolarHBondContact O-CG 3.41Å; R110-E114 PolarHBondContact O-N 2.94Å
111G58.3Low56.6Low16 Ų1690.1 Ų90.117%0.16544%0.44CS..Hα-helixtrans-58.9-37.7175.100000113.2L107 K108 D115L107-G111 PolarHBondContact O-N 3.49Å; K108-G111 PolarHBondContact O-N 2.74Å; G111-D115 WeakPolarHBondContact O-CB 3.42Å; G111-D115 PolarHBondContact O-N 3.42Å
112L57.3Low57.8Low110 Ų11085.4 Ų85.458%0.57642%0.416SS*.Hα-helixtrans-70.1-39.4177.6-72.1169.5000113.1K108 A109 R110 W116K108-L112 HydrophobicContact CG-CD1 4.39Å; K108-L112 VanDerWaalsContact O-CG 3.22Å; K108-L112 WeakPolarHBondContact O-CG 3.48Å; K108-L112 PolarHBondContact O-N 3.42Å; A109-L112 PolarHBondContact O-N 3.35Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.29Å; L112-W116 WeakPolarHBondContact O-CB 3.45Å; L112-W116 PolarHBondContact O-N 2.91Å
113W53.7Low58.7Low163 Ų16385 Ų8562%0.61741%0.413SS*.Hα-helixtrans-68.1-43.1174.4179.382.3000111.7A109 R110 W116 H117A109-W113 PolarHBondContact O-N 3.21Å; A109-W113 VanDerWaalsContact O-N 3.13Å; R110-W113 PolarHBondContact O-N 2.97Å; W113-W116 WeakPolarHBondContact O-CB 3.38Å; W113-W116 PolarHBondContact O-N 3.01Å; W113-H117 PolarHBondContact O-N 2.74Å; W113-H117 VanDerWaalsContact O-N 3.12Å
114E61.5Low58.9Low26 Ų2685.9 Ų85.912%0.12141%0.414CS..Hα-helixtrans-64.8-45176.7-70.3175.5-168.100111.1R110 W116 H117 L118 L294 P296R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 VanDerWaalsContact O-CG 3.24Å; R110-E114 WeakPolarHBondContact O-CG 3.41Å; R110-E114 PolarHBondContact O-N 2.94Å; E114-W116 VanDerWaalsContact C-N 3.29Å; E114-W116 PolarHBondContact O-N 3.01Å; E114-H117 PolarHBondContact O-N 3.46Å; E114-H117 VanDerWaalsContact O-N 3.13Å; E114-L118 VanDerWaalsContact O-CD1 3.3Å; E114-L118 WeakPolarHBondContact O-CD1 3.36Å; E114-L118 PolarHBondContact O-N 2.9Å; E114-L294 HydrophobicContact CB-CD1 4.09Å; E114-L294 HydrophobicContact CG-CD1 4.12Å; E114-L294 HydrophobicContact CG-CD2 4.06Å; E114-P296 WeakPolarHBondContact OE2-CB 3.49Å
115D61.6Low58.9Low83 Ų8383.9 Ų83.944%0.44442%0.415SS..Hα-helixtrans-63.1-34.2175.9-83.1-7.4000112.1G111 R119G111-D115 WeakPolarHBondContact O-CB 3.42Å; G111-D115 PolarHBondContact O-N 3.42Å; D115-R119 WeakPolarHBondContact O-CB 3.41Å; D115-R119 WeakPolarHBondContact O-CD 3.25Å; D115-R119 WeakPolarHBondContact O-CG 3.37Å; D115-R119 PolarHBondContact O-N 3.11Å
116W64.7Low58.5Low142 Ų14286.9 Ų86.954%0.53843%0.432SS..Hα-helixtrans-62.4-45.5171.8177.990.6000111.4L112 W113 E114 L118 R119 Q120L112-W116 WeakPolarHBondContact O-CB 3.45Å; L112-W116 PolarHBondContact O-N 2.91Å; W113-W116 WeakPolarHBondContact O-CB 3.38Å; W113-W116 PolarHBondContact O-N 3.01Å; E114-W116 VanDerWaalsContact C-N 3.29Å; E114-W116 PolarHBondContact O-N 3.01Å; W116-L118 VanDerWaalsContact C-N 3.34Å; W116-L118 PolarHBondContact O-N 3.48Å; W116-R119 WeakPolarHBondContact O-CB 3.35Å; W116-R119 PolarHBondContact O-N 2.85Å; W116-Q120 HydrophobicContact CD2-CG 4.25Å; W116-Q120 HydrophobicContact CE3-CG 4.34Å; W116-Q120 HydrophobicContact CH2-CG 4.04Å; W116-Q120 HydrophobicContact CZ2-CG 3.95Å; W116-Q120 HydrophobicContact CZ3-CG 4.23Å; W116-Q120 WeakPolarHBondContact O-CG 3.46Å; W116-Q120 PolarHBondContact O-N 3.15Å
117H63.9Low58.1Low75 Ų7595.2 Ų95.235%0.34745%0.453SS..Hα-helixtrans-67.1-36.8179.8-161.1-160.3000112.1W113 E114 Q120 L121W113-H117 PolarHBondContact O-N 2.74Å; W113-H117 VanDerWaalsContact O-N 3.12Å; E114-H117 PolarHBondContact O-N 3.46Å; E114-H117 VanDerWaalsContact O-N 3.13Å; H117-Q120 PolarHBondContact O-N 2.83Å; H117-L121 PolarHBondContact O-N 3.07Å
118L68.4Low57.5Low4 Ų495.2 Ų95.22%0.02146%0.455CS..Hα-helixtrans-63.8-39.3171.3-85.9139.9000112.7E114 W116 L121 I122 A285 L288 R289 L292 L294E114-L118 VanDerWaalsContact O-CD1 3.3Å; E114-L118 WeakPolarHBondContact O-CD1 3.36Å; E114-L118 PolarHBondContact O-N 2.9Å; W116-L118 VanDerWaalsContact C-N 3.34Å; W116-L118 PolarHBondContact O-N 3.48Å; L118-L121 PolarHBondContact O-N 3.37Å; L118-I122 WeakPolarHBondContact O-CD1 3.28Å; L118-I122 VanDerWaalsContact O-CG1 3.22Å; L118-I122 WeakPolarHBondContact O-CG1 3.44Å; L118-I122 PolarHBondContact O-N 3.18Å; L118-I122 VanDerWaalsContact O-N 3.11Å; L118-A285 HydrophobicContact CD2-CB 3.94Å; L118-A285 WeakPolarHBondContact CD2-O 3.37Å; L118-L288 HydrophobicContact CD2-CB 3.54Å; L118-L288 HydrophobicContact CD2-CD1 4.14Å; L118-L288 HydrophobicContact CD2-CG 4.49Å; L118-R289 HydrophobicContact CD1-CG 4.05Å; L118-L292 HydrophobicContact CG-CD1 4.43Å; L118-L294 HydrophobicContact CD1-CD1 4.04Å
119R67.6Low56.9Low161 Ų16195.5 Ų95.561%0.60846%0.464SS*.Hα-helixtrans-62.5-43.6174.1-77.4161.6165-91.62.1111.7D115 W116 L121 I122 D123D115-R119 WeakPolarHBondContact O-CB 3.41Å; D115-R119 WeakPolarHBondContact O-CD 3.25Å; D115-R119 WeakPolarHBondContact O-CG 3.37Å; D115-R119 PolarHBondContact O-N 3.11Å; W116-R119 WeakPolarHBondContact O-CB 3.35Å; W116-R119 PolarHBondContact O-N 2.85Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 2.82Å; R119-I122 PolarHBondContact O-N 2.93Å; R119-I122 VanDerWaalsContact O-N 3.09Å; R119-D123 WeakPolarHBondContact O-CB 3.28Å; R119-D123 PolarHBondContact O-N 3.15Å
120Q64.6Low56.4Low69 Ų69101.2 Ų101.232%0.32248%0.48SS..Hα-helixtrans-58.4-40.1175.5-64.8-57.9-29.100112.4W116 H117 I122 H124W116-Q120 HydrophobicContact CD2-CG 4.25Å; W116-Q120 HydrophobicContact CE3-CG 4.34Å; W116-Q120 HydrophobicContact CH2-CG 4.04Å; W116-Q120 HydrophobicContact CZ2-CG 3.95Å; W116-Q120 HydrophobicContact CZ3-CG 4.23Å; W116-Q120 WeakPolarHBondContact O-CG 3.46Å; W116-Q120 PolarHBondContact O-N 3.15Å; H117-Q120 PolarHBondContact O-N 2.83Å; Q120-I122 VanDerWaalsContact C-N 3.33Å; Q120-I122 PolarHBondContact O-N 3.06Å; Q120-H124 WeakPolarHBondContact O-CB 3.36Å; Q120-H124 PolarHBondContact O-N 3.37Å
121L66Low55.2Low14 Ų1499.6 Ų99.67%0.07349%0.489CS..Hα-helixtrans-69.2-29.4177-74.3163.8000113.6H117 L118 R119 T128 L288 L292H117-L121 PolarHBondContact O-N 3.07Å; L118-L121 PolarHBondContact O-N 3.37Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 2.82Å; L121-T128 HydrophobicContact CD2-CG2 3.54Å; L121-L288 HydrophobicContact CB-CD1 3.94Å; L121-L288 HydrophobicContact CD1-CD1 4.4Å; L121-L292 HydrophobicContact CD1-CD1 3.81Å; L121-L292 HydrophobicContact CD1-CD2 4.39Å
122I66.9Low54Low41 Ų41104.8 Ų104.821%0.2152%0.523CS..Hα-helixtrans-82-37.9179.9-67.5163000111L118 R119 Q120 A281 L284 A285 L288L118-I122 WeakPolarHBondContact O-CD1 3.28Å; L118-I122 VanDerWaalsContact O-CG1 3.22Å; L118-I122 WeakPolarHBondContact O-CG1 3.44Å; L118-I122 PolarHBondContact O-N 3.18Å; L118-I122 VanDerWaalsContact O-N 3.11Å; R119-I122 PolarHBondContact O-N 2.93Å; R119-I122 VanDerWaalsContact O-N 3.09Å; Q120-I122 VanDerWaalsContact C-N 3.33Å; Q120-I122 PolarHBondContact O-N 3.06Å; I122-A281 HydrophobicContact CG2-CB 4.14Å; I122-L284 HydrophobicContact CG1-CD2 4.33Å; I122-A285 HydrophobicContact CD1-CB 3.67Å; I122-L288 HydrophobicContact CG1-CD1 4.24Å
123D62.3Low52.6Low108 Ų108103.2 Ų103.258%0.57853%0.533SS*.Hα-helixtrans-86.8-23-176-68.3-32.5000113.1R119R119-D123 WeakPolarHBondContact O-CB 3.28Å; R119-D123 PolarHBondContact O-N 3.15Å
124H54.4Low51.5Low110 Ų110102.8 Ų102.851%0.50955%0.548SS..  trans-127.671.6178.6-64.2-58.3000113.1Q120 S126Q120-H124 WeakPolarHBondContact O-CB 3.36Å; Q120-H124 PolarHBondContact O-N 3.37Å; H124-S126 PolarHBondContact O-N 3.44Å
125P50.6Low49.9Very low92 Ų92106.1 Ų106.160%0.59758%0.58SS**THydrogen-bonded Turntrans-64.9-9.6178.525-33000114.4
126S41.3Very low48.3Very low118 Ų118110.6 Ų110.683%0.82560%0.603SS**THydrogen-bonded Turntrans-105.66.8-170.6-46.10000115.6H124H124-S126 PolarHBondContact O-N 3.44Å
127R43.3Very low46.7Very low228 Ų228108.2 Ų108.286%0.8661%0.613SS**SBendtrans-128.23.3-174.5-98.1-171.8178.2-160.60117.3N129R127-N129 PolarHBondContact O-N 3.2Å
128T41.1Very low44.9Very low56 Ų56110.6 Ų110.634%0.34464%0.639SS.*  trans-91.111.4-174.261.30000115.9L121 H130L121-T128 HydrophobicContact CD2-CG2 3.54Å; T128-H130 PolarHBondContact O-N 3.2Å
129N40Very low43.1Very low155 Ų155122 Ų12283%0.82968%0.682SS**SBendtrans-81.967.5165.4-73.4-9.1000109.7R127R127-N129 PolarHBondContact O-N 3.2Å
130H39.6Very low41.3Very low181 Ų181121.1 Ų121.184%0.83869%0.694SS**  trans16579.5154-100.6-79.5000109.7T128T128-H130 PolarHBondContact O-N 3.2Å
131V32Very low39.5Very low139 Ų139121.2 Ų121.284%0.84271%0.713SS**  trans-142.283.5151.9-172.10000108.6
132S32.8Very low37.8Very low126 Ų126128 Ų12888%0.88175%0.75SS**  trans-139.8117.4152.6-76.20000106.5
133G27.7Very low36Very low76 Ų76134.5 Ų134.578%0.78478%0.784SS**  trans137.780169.700000114
134V32.2Very low34.2Very low155 Ų155134.6 Ų134.694%0.93979%0.794SS**  trans-73.2122.1146.2172.50000106.2
135A27.3Very low33Very low96 Ų96135.5 Ų135.579%0.79381%0.807SS**  trans-146.7146.1160.900000110.1
136L28.5Very low31.9Very low176 Ų176136.1 Ų136.192%0.92181%0.814SS**  trans-71.3165.7-163.4-72.7144.8000114.3
137A29.4Very low31.3Very low92 Ų92140 Ų14076%0.7682%0.818SS**  trans-41.8145.7174.900000115.9
138S27.4Very low30.5Very low126 Ų126136.2 Ų136.288%0.88181%0.814SS**  trans-162.2133.1130.2-81.70000111.4
139R30Very low29.8Very low243 Ų243141.3 Ų141.392%0.91784%0.837SS**  trans-65.7143.8173.6-84.9168.6149.2-173.9-6.3112
140T30.8Very low29.2Very low143 Ų143139.9 Ų139.988%0.87783%0.834SS**  -157.6114.6128.741.10000106.8
141G26.7Very low29.2Very low70 Ų70136.7 Ų136.772%0.72283%0.83SS**  66124.3109.800000112.4
142N28.8Very low28.8Very low158 Ų158137 Ų13785%0.84583%0.832SS**  cis-161.4144.816.5-89.8-24.5000106.7
143L29.2Very low28.6Very low176 Ų176137.1 Ų137.192%0.92183%0.828SS**  trans-162.7116.4132.1-132.775.8000109.2
144S25.4Very low29Very low111 Ų111138.5 Ų138.578%0.77682%0.823SS**  trans-75.7141.4172.7-78.60000111.4
145T28Very low28.6Very low128 Ų128137.3 Ų137.379%0.78582%0.816SS**  -177.3104.5117.923.50000106.8
146S28.4Very low28.5Very low106 Ų106137.9 Ų137.974%0.74181%0.814SS**  61.5103.2108.1-38.80000111.1
147E28.2Very low28.3Very low198 Ų198134.6 Ų134.693%0.92581%0.806SS**  -149.9152.680.8-85.9-178.1152.100114.8
148I27.5Very low28.2Very low150 Ų150134.3 Ų134.377%0.76980%0.799SS**  trans-86141.1-176.2-63.5157.8000107.1
149I26.9Very low28.2Very low162 Ų162136.2 Ų136.283%0.83179%0.793SS**  -161.414791.4-75.8157.3000110.3
150T25.7Very low28.1Very low126 Ų126129 Ų12977%0.77378%0.78SS**  trans-81.7176-166.432.50000116.5
151P39.8Very low28Very low113 Ų113132.6 Ų132.673%0.73478%0.777SS**  trans-107.9168.8-155.641.1-32.3000114.3
152T23.6Very low28.1Very low145 Ų145137 Ų13789%0.8978%0.784SS**  trans-159.7131.4151.434.60000112
153T28.5Very low27.9Very low130 Ų130133.2 Ų133.280%0.79878%0.782SS**  trans-96.3-179.7148.456.30000107.1
154P37.6Very low27.7Very low105 Ų105128.8 Ų128.868%0.68278%0.779SS**  cis-139.8-179.1-6.632.8-8.8000115.9
155T24Very low27.8Very low130 Ų130128.1 Ų128.180%0.79878%0.78SS**  trans67.2144145.541.60000126.1
156S23.9Very low28.3Very low107 Ų107128 Ų12875%0.74878%0.781SS**  trans104111.5152.578.70000118.8
157S24.2Very low28.4Very low108 Ų108129 Ų12976%0.75578%0.783SS**  61.3141.7108.672.60000115.7
158S27.3Very low29.3Very low86 Ų86124.2 Ų124.260%0.60177%0.77SS**  cis-177.2146.710.926.10000106
159H27.6Very low29.2Very low166 Ų166126 Ų12677%0.76977%0.774SS**  173117.2100-93-77.6000108.2
160S28.2Very low29.1Very low92 Ų92125.4 Ų125.464%0.64377%0.772SS**  80.3110.788.4-49.60000116.4
161R28.8Very low29.2Very low217 Ų217126.1 Ų126.182%0.81977%0.769SS**  164.4128.6102.2-86.7-175.8-150.5-107.80.8114.7
162L28.8Very low28.5Very low163 Ų163126.3 Ų126.385%0.85377%0.774SS**  trans61.5135134.1-53.1169.4000119.6
163G24.5Very low28.6Very low78 Ų78122.9 Ų122.980%0.80477%0.767SS**  cis154.1149.34.400000109.8
164G25.3Very low28.6Very low84 Ų84125.2 Ų125.287%0.86677%0.774SS**  trans122108.2154.600000118.8
165A27.2Very low28.1Very low97 Ų97124.9 Ų124.980%0.80278%0.78SS**  trans-87.5171.2148.900000108.4
166P37.3Very low28.2Very low124 Ų124122.3 Ų122.381%0.80578%0.779SS**  cis-150.7-177.447.936.5-11.4000117.1
167T30.9Very low28.5Very low128 Ų128121.8 Ų121.879%0.78578%0.776SS**  trans-71.6-176.9161.148.50000111.2
168P47.7Very low28.7Very low98 Ų98125.6 Ų125.664%0.63678%0.781SS**  cis-138.6-171.96.139.5-17.7000114.8
169H25.7Very low28.6Very low187 Ų187124.7 Ų124.787%0.86679%0.786SS**  trans172.2160.1130.7-93.3-70.8000114.7
170L24.8Very low28.7Very low150 Ų150125.2 Ų125.279%0.78579%0.792SS**  trans-116.2156.2-159.5-101.5162.7000111.7
171I27.1Very low28.6Very low140 Ų140128.9 Ų128.972%0.71880%0.799SS**  trans86.6115142.5-66.1162.8000121.9
172S26.3Very low29.3Very low118 Ų118124.2 Ų124.283%0.82580%0.797SS**  53.6138.5129.6-56.10000127.8
173G25.4Very low29.1Very low73 Ų73120.3 Ų120.375%0.75380%0.796SS**  trans96.8147.713700000116.4
174L29.1Very low29.4Very low179 Ų179126.2 Ų126.294%0.93780%0.8SS**  cis-174156.40.4-104171.1000108
175A26.1Very low29.5Very low98 Ų98129.4 Ų129.481%0.8180%0.802SS**  trans150.7116.1149.100000109.1
176G25.9Very low29.5Very low76 Ų76133 Ų13378%0.78481%0.808SS**  97.7133.671.800000108.3
177S29.8Very low29Very low96 Ų96131 Ų13167%0.67181%0.81SS**  cis-179.4167.216.136.30000110
178H29.4Very low28.7Very low187 Ų187128.5 Ų128.587%0.86681%0.809SS**  trans78.7137.5166.5-50.8-73.6000117.8
179G25.7Very low27.6Very low68 Ų68133.5 Ų133.570%0.70182%0.822SS**  cis153.2126.10.200000110.9
180I29.3Very low27.8Very low176 Ų176130.9 Ų130.990%0.90382%0.818SS**  trans80.9120.9148.6-52.6179.5000120.5
181E26.5Very low27.9Very low169 Ų169126.9 Ų126.979%0.7981%0.814SS**  trans-67.8-162.6165.3-75.1-90.4128.900113.5
182P42.5Very low27.9Very low119 Ų119128 Ų12877%0.77382%0.821SS**  cis-136-176.3-1817.69000113.6
183G25.6Very low28.1Very low81 Ų81130.2 Ų130.284%0.83582%0.822SS**  trans176.1102.7155.700000117.2
184K29.9Very low28.1Very low203 Ų203130.1 Ų130.188%0.88382%0.821SS**  trans-81.1153.5170.6-71168.3172.4171.70111.6
185T28.1Very low28.6Very low150 Ų150127.7 Ų127.792%0.9282%0.816SS**  -171.5151.3129.442.30000113.7
186N26.1Very low29.1Very low173 Ų173128.5 Ų128.593%0.92581%0.813SS**  trans-80.7171.3-175.2-61.1-43.6000115.1
187G27.5Very low29.2Very low82 Ų82130.4 Ų130.485%0.84581%0.812SS**  trans136.8130.9146.200000115.4
188G23.8Very low29.1Very low75 Ų75136.2 Ų136.277%0.77383%0.825SS**  trans-127.3-164.4-173.100000116.5
189F25.2Very low29.1Very low203 Ų203136.4 Ų136.489%0.8983%0.826SS**  trans73.3141.9175.8-107.2-83.7000115.8
190V29.6Very low29.1Very low132 Ų132140.5 Ų140.580%0.883%0.832SS**  cis-150.6138.615.5-164.70000105.2
191G26.1Very low29Very low67 Ų67143.6 Ų143.669%0.69183%0.832SS**  131.1133.695.400000115.4
192L29.1Very low29Very low164 Ų164138.9 Ų138.986%0.85983%0.83SS**  trans95.2113.4153.2-65.2167.9000122.1
193L29.4Very low28.3Very low163 Ų163145.3 Ų145.385%0.85384%0.838SS**  trans70.6107.5144.6-71.3149.7000119.4
194G26.3Very low28.4Very low72 Ų72150.9 Ų150.974%0.74284%0.839SS**  trans-86.2-157.617100000114
195P38.1Very low28.2Very low127 Ų127151.4 Ų151.483%0.82584%0.842SS**  cis-132.4-159-18.138.9-18000111.7
196P37.3Very low28.2Very low115 Ų115152 Ų15275%0.74784%0.838SS**  -117.8170-84.437.4-20.9000115
197P27.5Very low28.2Very low116 Ų116153.1 Ų153.175%0.75383%0.834SS**PPolyproline II helixtrans-89.7156.5-179.135.6-32.9000113.9Q199P197-Q199 PolarHBondContact O-N 2.98Å
198K28Very low28.1Very low218 Ų218153.5 Ų153.595%0.94883%0.829SS**PPolyproline II helixtrans-65.7121.8172.2-65.8172.2179.6173.80109.8
199Q28.8Very low28.2Very low191 Ų191158.6 Ų158.689%0.89383%0.833SS**PPolyproline II helixtrans-103.7135.8174.4-108.2-174.92.400113.1P197P197-Q199 PolarHBondContact O-N 2.98Å
200D26.4Very low28.3Very low155 Ų155157 Ų15783%0.82983%0.834SS**PPolyproline II helixtrans-67.4149.9-179.4-173.922.3000113.2G202D200-G202 PolarHBondContact O-N 3.06Å; D200-G202 VanDerWaalsContact O-N 3.1Å
201R28.2Very low28.1Very low240 Ų240153.9 Ų153.991%0.90683%0.828SS**  trans-80.687.8-176.1-78177.9170.2164.9-2.1110.5R203R201-R203 PolarHBondContact O-N 2.92Å
202G25.5Very low28.2Very low71 Ų71155.9 Ų155.973%0.73283%0.832SS**  trans-76.9104.4165.300000112.7D200 K204D200-G202 PolarHBondContact O-N 3.06Å; D200-G202 VanDerWaalsContact O-N 3.1Å; G202-K204 PolarHBondContact O-N 3.01Å
203R28.5Very low28Very low253 Ų253153.4 Ų153.496%0.95583%0.828SS**  trans-66.8103.4171.5-172.8179.1-170.7172.11.9110.4R201R201-R203 PolarHBondContact O-N 2.92Å
204K27.6Very low27.9Very low198 Ų198152.9 Ų152.986%0.86183%0.825SS**  trans-110.8131.4165.9-74.6-176.5-179.1176.90111.1G202G202-K204 PolarHBondContact O-N 3.01Å
205K25.2Very low27.8Very low215 Ų215157 Ų15794%0.93583%0.83SS**  trans-78.9119.3-173.2-158.7172.9-174.7178.80108.4
206I28.8Very low27.2Very low162 Ų162156.8 Ų156.883%0.83183%0.826SS**  trans-117.6127.2170.5-53.2177.5000108.6
207K25.1Very low26.5Very low196 Ų196156.5 Ų156.585%0.85282%0.822SS**  trans-70.2116.7-176.7-163.4173.9-179-177.70108.5
208A25.7Very low26.8Very low90 Ų90156.1 Ų156.174%0.74482%0.819SS**  trans-85.6115.2174.100000109
209E25.1Very low26.6Very low183 Ų183153.8 Ų153.886%0.85581%0.805SS**  trans-74.3140.4170.6-64.2-168.3141.700110.4G211E209-G211 PolarHBondContact O-N 3.5Å
210N28.4Very low26.7Very low169 Ų169150 Ų15090%0.90480%0.798SS**  trans-69.892.8-174.5-64.1-21.1000111
211G26.1Very low26.8Very low66 Ų66150.4 Ų150.468%0.6880%0.798SS**  trans-85.6104.316800000111.3E209 S213E209-G211 PolarHBondContact O-N 3.5Å; G211-S213 PolarHBondContact O-N 3.34Å; G211-S213 VanDerWaalsContact O-N 3.14Å
212S26.3Very low27Very low110 Ų110147.2 Ų147.277%0.76980%0.798SS**  trans-54.9109.4169.820.80000111.2L214S212-L214 PolarHBondContact O-N 2.91Å
213S26.5Very low27.1Very low111 Ų111148.4 Ų148.478%0.77680%0.801SS**  trans-72.892.2170.8-69.40000110G211 L215G211-S213 PolarHBondContact O-N 3.34Å; G211-S213 VanDerWaalsContact O-N 3.14Å; S213-L215 PolarHBondContact O-N 2.92Å; S213-L215 VanDerWaalsContact O-N 3.15Å
214L25.8Very low27.4Very low152 Ų152142.6 Ų142.680%0.79680%0.799SS**  trans-65.4106.1159.1-70.8173.4000107.4S212 V216S212-L214 PolarHBondContact O-N 2.91Å; L214-V216 PolarHBondContact O-N 3.18Å
215L26Very low27.6Very low160 Ų160136.5 Ų136.584%0.83879%0.792SS**  trans-64.986.7166.4-68.3170000108.1S213 V217S213-L215 PolarHBondContact O-N 2.92Å; S213-L215 VanDerWaalsContact O-N 3.15Å; L215-V217 PolarHBondContact O-N 3.44Å; L215-V217 VanDerWaalsContact O-N 3.16Å
216V24.2Very low28.2Very low121 Ų121134 Ų13473%0.73379%0.789SS**  trans-70102.6159.2178.90000105.3L214 P218L214-V216 PolarHBondContact O-N 3.18Å; V216-P218 WeakPolarHBondContact O-CD 3.35Å
217V23.7Very low28.3Very low110 Ų110133.8 Ų133.867%0.66779%0.79SS**  trans-72.3113.1165.9178.40000106.5L215 Y219L215-V217 PolarHBondContact O-N 3.44Å; L215-V217 VanDerWaalsContact O-N 3.16Å; V217-Y219 PolarHBondContact O-N 3.06Å
218P32.6Very low29.2Very low107 Ų107133.3 Ų133.370%0.69579%0.79SS**  trans-75.2114.9168.5-625.4000107.1V216V216-P218 WeakPolarHBondContact O-CD 3.35Å
219Y24Very low29.7Very low169 Ų169134 Ų13466%0.66379%0.79SS**PPolyproline II helixtrans-58.2135.8157.7-100-101.3000108.1V217 I221V217-Y219 PolarHBondContact O-N 3.06Å; Y219-I221 PolarHBondContact O-N 3.1Å
220P32.1Very low29.8Very low113 Ų113131.4 Ų131.473%0.73479%0.791SS**PPolyproline II helixtrans-69.8120.3177.727.3-31.1000109.7L222P220-L222 PolarHBondContact O-N 3.35Å
221I28.1Very low30.1Very low162 Ų162131.1 Ų131.183%0.83179%0.788SS**PPolyproline II helixtrans-74.2119.3161.9-61.8173.8000106.1Y219 A223Y219-I221 PolarHBondContact O-N 3.1Å; I221-A223 PolarHBondContact O-N 3.22Å
222L32Very low30.5Very low173 Ų173133.3 Ų133.391%0.90679%0.788SS**  trans-65.8110171.4-70.2164.7000108.4P220P220-L222 PolarHBondContact O-N 3.35Å
223A27.9Very low30.9Very low96 Ų96136.4 Ų136.479%0.79380%0.795SS**  trans-113.5110163.600000108.1I221I221-A223 PolarHBondContact O-N 3.22Å
224S35.3Very low31.5Very low132 Ų132136.7 Ų136.792%0.92379%0.792SS**  trans-73131.8166.8175.70000108.6
225G30.1Very low32.1Very low69 Ų69134 Ų13471%0.71179%0.791SS**  trans162103.3174.200000110.6D227G225-D227 PolarHBondContact O-N 3.14Å
226N39.1Very low32.8Very low162 Ų162135.9 Ų135.987%0.86679%0.793SS**  trans-58.8125161.5-82-11.1000107.8
227D30.6Very low34Very low159 Ų159140.3 Ų140.385%0.8581%0.806SS**  trans-163.2129.9139.8-85.3-31000109.3G225G225-D227 PolarHBondContact O-N 3.14Å
228Q43Very low35.7Very low185 Ų185137.2 Ų137.286%0.86480%0.795SS**  trans-73.1132.4178.6-160.383.1-3.800108.3
229S36.7Very low37.4Very low104 Ų104140.4 Ų140.473%0.72780%0.799SS**  trans89.5114.6-177.184.80000114.9
230C28Very low39.9Very low130 Ų130136.5 Ų136.588%0.87879%0.792SS**  -178.8129.1129.4-90.10000110.6
231L35Very low42Very low162 Ų162134.6 Ų134.685%0.84877%0.771SS**  trans-72.7144.7167.6-86.6149.8000110.4
232T34.6Very low44.5Very low112 Ų112135.4 Ų135.469%0.68776%0.764SS**  trans60.5122.6155.133.40000120.7T234T232-T234 HydrophobicContact CG2-CG2 4.04Å
233I34Very low46.6Very low176 Ų176127.4 Ų127.490%0.90372%0.722SS**  trans-119.8111.8135.5-58.5177.7000106.9
234T38.2Very low48.8Very low116 Ų116133 Ų13371%0.71273%0.729SS**  trans-83.4130.2178.544.90000111T232T232-T234 HydrophobicContact CG2-CG2 4.04Å
235A39Very low50.8Low95 Ų95131.8 Ų131.879%0.78572%0.715SS**SBendtrans-139.3102149.900000108.8
236K40.1Very low53.2Low201 Ų201129.7 Ų129.787%0.87469%0.689SS**SBendtrans76.5121.8-177.3-54.9-171.6177.9-176.20114.7G238K236-G238 VanDerWaalsContact C-N 3.32Å; K236-G238 PolarHBondContact O-N 2.99Å
237E49.9Very low54.9Low214 Ų214127.2 Ų127.2100%168%0.682SS**SBendtrans-59.384-174.4-60.7179164.400112.2
238G58.8Low57Low44 Ų44124 Ų12445%0.45466%0.664SS.*  trans-126.9127.4165.200000107.6K236 T240K236-G238 VanDerWaalsContact C-N 3.32Å; K236-G238 PolarHBondContact O-N 2.99Å; G238-T240 PolarHBondContact O-N 3.15Å
239K68.7Low58.8Low175 Ų175119.1 Ų119.176%0.76165%0.648SS**  trans-56.4113.4170.5-69.7174.1-178.6175.70107.8Y241K239-Y241 HydrophobicContact CB-CE2 4.23Å; K239-Y241 WeakPolarHBondContact O-CD2 3.39Å; K239-Y241 VanDerWaalsContact O-CE2 3.28Å; K239-Y241 WeakPolarHBondContact O-CE2 3.21Å
240T75.9Confident60.8Low87 Ų87116.1 Ų116.153%0.53462%0.621SS.*  trans-90145.3174.357.50000109.9G238 F250 F251G238-T240 PolarHBondContact O-N 3.15Å; T240-F250 CarbonylContact C-O 3.58Å; T240-F250 WeakPolarHBondContact CA-O 3.06Å; T240-F251 HydrophobicContact CG2-CD1 3.91Å; T240-F251 HydrophobicContact CG2-CE1 3.97Å
241Y77.1Confident63.2Low72 Ų72117.9 Ų117.928%0.28262%0.615SS.*EExtended strand (participates in β ladder)trans-117.9110.5-176.9-63-88.1000108.6K239 F250 K253 M256K239-Y241 HydrophobicContact CB-CE2 4.23Å; K239-Y241 WeakPolarHBondContact O-CD2 3.39Å; K239-Y241 VanDerWaalsContact O-CE2 3.28Å; K239-Y241 WeakPolarHBondContact O-CE2 3.21Å; Y241-F250 PolarHBondContact N-O 2.84Å; Y241-F250 PolarHBondContact O-N 3Å; Y241-K253 HydrophobicContact CD1-CB 3.92Å; Y241-K253 HydrophobicContact CD1-CG 3.95Å; Y241-K253 HydrophobicContact CD2-CB 4.17Å; Y241-K253 HydrophobicContact CE1-CB 3.58Å; Y241-K253 HydrophobicContact CE1-CD 4.02Å; Y241-K253 HydrophobicContact CE1-CG 3.71Å; Y241-K253 HydrophobicContact CE2-CB 3.85Å; Y241-K253 HydrophobicContact CG-CB 4.2Å; Y241-M256 HydrophobicContact CD1-CE 4.24Å
242R79.5Confident65.3Low180 Ų180112 Ų11268%0.67959%0.587SS**EExtended strand (participates in β ladder)trans-86.8138.8179.1-175.9172.5172.8167.1-0.6111T249R242-T249 HydrophobicContact CB-CG2 4Å; R242-T249 HydrophobicContact CG-CG2 3.99Å
243C76.8Confident67.3Low5 Ų5112.1 Ų112.13%0.03458%0.578CS.*  trans-71.1140170-169.80000110.5L248 F250 H259 H263C243-L248 PolarHBondContact N-O 2.84Å; C243-F250 HydrophobicContact CB-CE2 4.35Å; C243-H259 PolarHBondContact SG-CD2 3.07Å; C243-H259 PolarHBondContact SG-NE2 2.9Å; C243-H259 VanDerWaalsContact SG-NE2 3.4Å; C243-H263 PolarHBondContact SG-CD2 3.3Å; C243-H263 PolarHBondContact SG-NE2 3.38Å; C243-H263 VanDerWaalsContact SG-NE2 3.44Å
244K74.8Confident69.2Low214 Ų214106.3 Ų106.393%0.9355%0.553SS**SBendtrans-78.6-20.5179.5-64-175.1178.9-176.20113.3
245V78Confident70.8Confident106 Ų106104.5 Ų104.564%0.64254%0.539SS*.SBendtrans-101.2-27.9-174.2-177.30000111.9H263V245-H263 HydrophobicContact CB-CB 4.18Å; V245-H263 HydrophobicContact CG1-CB 4.1Å; V245-H263 HydrophobicContact CG2-CB 4.08Å
246C78.8Confident72.7Confident24 Ų24101.6 Ų101.616%0.16251%0.51CS..SBendtrans-135.5164.7-177.480.90000111.4L248 H259C246-L248 PolarHBondContact O-N 3.28Å; C246-L248 VanDerWaalsContact O-N 3.08Å; C246-L248 VanDerWaalsContact SG-CB 3.6Å; C246-H259 PolarHBondContact SG-NE2 2.98Å
247P75.4Confident74.2Confident110 Ų11096.6 Ų96.671%0.71449%0.489SS*.SBendtrans-744.3-176.729.5-34.4000114.3
248L74.9Confident75.2Confident92 Ų9288.5 Ų88.548%0.48245%0.452SS..  trans-72.6136.5-177.7-65.1172.5000112.2C243 C246 F250C243-L248 PolarHBondContact N-O 2.84Å; C246-L248 PolarHBondContact O-N 3.28Å; C246-L248 VanDerWaalsContact O-N 3.08Å; C246-L248 VanDerWaalsContact SG-CB 3.6Å; L248-F250 HydrophobicContact CB-CE2 3.76Å; L248-F250 HydrophobicContact CB-CZ 3.85Å; L248-F250 HydrophobicContact CD1-CZ 4.32Å
249T80.3Confident75.8Confident83 Ų8387.7 Ų87.751%0.50944%0.437SS..EExtended strand (participates in β ladder)trans-117.1140.6175.153.30000109.8R242R242-T249 HydrophobicContact CB-CG2 4Å; R242-T249 HydrophobicContact CG-CG2 3.99Å
250F79.6Confident75.9Confident41 Ų4181.3 Ų81.318%0.1841%0.414CS..EExtended strand (participates in β ladder)trans-123.1149.4-175.8-59.6-90.5000110.1T240 Y241 C243 L248 S252 D255 M256 H259T240-F250 CarbonylContact C-O 3.58Å; T240-F250 WeakPolarHBondContact CA-O 3.06Å; Y241-F250 PolarHBondContact N-O 2.84Å; Y241-F250 PolarHBondContact O-N 3Å; C243-F250 HydrophobicContact CB-CE2 4.35Å; L248-F250 HydrophobicContact CB-CE2 3.76Å; L248-F250 HydrophobicContact CB-CZ 3.85Å; L248-F250 HydrophobicContact CD1-CZ 4.32Å; F250-S252 VanDerWaalsContact C-N 3.34Å; F250-D255 HydrophobicContact CB-CB 4.27Å; F250-D255 HydrophobicContact CD1-CB 3.93Å; F250-D255 HydrophobicContact CG-CB 4.39Å; F250-M256 HydrophobicContact CB-CB 3.94Å; F250-M256 HydrophobicContact CD2-CB 3.66Å; F250-M256 HydrophobicContact CD2-CG 4.02Å; F250-M256 HydrophobicContact CG-CB 3.94Å; F250-H259 HydrophobicContact CE1-CB 3.76Å; F250-H259 HydrophobicContact CE2-CB 3.77Å; F250-H259 AromaticContact CE2-CD2 3.28Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.35Å; F250-H259 AromaticContact CE2-CG 3.52Å; F250-H259 HydrophobicContact CZ-CB 3.3Å; F250-H259 AromaticContact CZ-CD2 3.36Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.32Å; F250-H259 AromaticContact CZ-CG 3.1Å; F250-H259 AromaticContact CZ-ND1 3.7Å
251F78.3Confident75.6Confident167 Ų16780.7 Ų80.773%0.73240%0.404SS*.SBendtrans-86.6-7.7177.3-63.7-79.6000113.1T240T240-F251 HydrophobicContact CG2-CD1 3.91Å; T240-F251 HydrophobicContact CG2-CE1 3.97Å
252S79.3Confident75Confident39 Ų3981.5 Ų81.527%0.27342%0.416SS..SBendtrans-129.5142.8175.8-179.70000111.8F250 S254 D255 M256F250-S252 VanDerWaalsContact C-N 3.34Å; S252-S254 VanDerWaalsContact C-N 3.26Å; S252-S254 PolarHBondContact O-N 3.32Å; S252-S254 PolarHBondContact OG-N 3.12Å; S252-S254 PolarHBondContact OG-OG 2.82Å; S252-D255 WeakPolarHBondContact CB-OD2 3.44Å; S252-D255 PolarHBondContact O-N 3.35Å; S252-M256 PolarHBondContact O-N 2.86Å; S252-M256 VanDerWaalsContact O-N 3.1Å
253K75.3Confident74.4Confident113 Ų11376.4 Ų76.449%0.49140%0.4SS..Hα-helixtrans-61-38.5173-166.3176.7176.2-179.70110.9Y241 D255 M256 Q257Y241-K253 HydrophobicContact CD1-CB 3.92Å; Y241-K253 HydrophobicContact CD1-CG 3.95Å; Y241-K253 HydrophobicContact CD2-CB 4.17Å; Y241-K253 HydrophobicContact CE1-CB 3.58Å; Y241-K253 HydrophobicContact CE1-CD 4.02Å; Y241-K253 HydrophobicContact CE1-CG 3.71Å; Y241-K253 HydrophobicContact CE2-CB 3.85Å; Y241-K253 HydrophobicContact CG-CB 4.2Å; K253-D255 VanDerWaalsContact C-N 3.31Å; K253-D255 PolarHBondContact O-N 3.27Å; K253-M256 HydrophobicContact CG-CE 4.24Å; K253-Q257 WeakPolarHBondContact O-CB 3.44Å; K253-Q257 VanDerWaalsContact O-CG 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.46Å; K253-Q257 PolarHBondContact O-N 2.92Å
254S74Confident73.7Confident54 Ų5479.7 Ų79.738%0.37842%0.421SS..Hα-helixtrans-62.1-41.9178.659.50000111.3S252 Q257 I258S252-S254 VanDerWaalsContact C-N 3.26Å; S252-S254 PolarHBondContact O-N 3.32Å; S252-S254 PolarHBondContact OG-N 3.12Å; S252-S254 PolarHBondContact OG-OG 2.82Å; S254-Q257 PolarHBondContact O-N 3.39Å; S254-I258 WeakPolarHBondContact O-CD1 3.45Å; S254-I258 WeakPolarHBondContact O-CG1 3.44Å; S254-I258 PolarHBondContact O-N 3.46Å
255D72.8Confident72.8Confident78 Ų7879.1 Ų79.142%0.41742%0.421SS..Hα-helixtrans-72.7-40.9-176.2-60.7-17.1000110.8F250 S252 K253 Q257 I258 H259F250-D255 HydrophobicContact CB-CB 4.27Å; F250-D255 HydrophobicContact CD1-CB 3.93Å; F250-D255 HydrophobicContact CG-CB 4.39Å; S252-D255 WeakPolarHBondContact CB-OD2 3.44Å; S252-D255 PolarHBondContact O-N 3.35Å; K253-D255 VanDerWaalsContact C-N 3.31Å; K253-D255 PolarHBondContact O-N 3.27Å; D255-Q257 VanDerWaalsContact C-N 3.31Å; D255-Q257 PolarHBondContact O-N 3.28Å; D255-I258 PolarHBondContact O-N 3.45Å; D255-H259 VanDerWaalsContact O-CB 3.25Å; D255-H259 WeakPolarHBondContact O-CB 3.36Å; D255-H259 PolarHBondContact O-N 3.42Å
256M77.9Confident71.7Confident35 Ų3577 Ų7717%0.17242%0.415CS..Hα-helixtrans-60.8-40.2170.7179.5-83-59.700111.7Y241 F250 S252 K253 H259 S260Y241-M256 HydrophobicContact CD1-CE 4.24Å; F250-M256 HydrophobicContact CB-CB 3.94Å; F250-M256 HydrophobicContact CD2-CB 3.66Å; F250-M256 HydrophobicContact CD2-CG 4.02Å; F250-M256 HydrophobicContact CG-CB 3.94Å; S252-M256 PolarHBondContact O-N 2.86Å; S252-M256 VanDerWaalsContact O-N 3.1Å; K253-M256 HydrophobicContact CG-CE 4.24Å; M256-H259 CarbonylContact O-C 3.28Å; M256-H259 PolarHBondContact O-N 3.16Å; M256-S260 WeakPolarHBondContact O-CB 3.34Å; M256-S260 PolarHBondContact O-N 3.08Å; M256-S260 PolarHBondContact O-OG 2.86Å
257Q72.8Confident70.6Confident96 Ų9683.9 Ų83.945%0.44944%0.442SS..Hα-helixtrans-68.8-38.2176.9-77.9177.9-21.600113.1K253 S254 D255 H259 S260 K261K253-Q257 WeakPolarHBondContact O-CB 3.44Å; K253-Q257 VanDerWaalsContact O-CG 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.46Å; K253-Q257 PolarHBondContact O-N 2.92Å; S254-Q257 PolarHBondContact O-N 3.39Å; D255-Q257 VanDerWaalsContact C-N 3.31Å; D255-Q257 PolarHBondContact O-N 3.28Å; Q257-H259 VanDerWaalsContact C-N 3.33Å; Q257-S260 WeakPolarHBondContact CA-OG 3.48Å; Q257-S260 PolarHBondContact O-N 3.02Å; Q257-S260 PolarHBondContact O-OG 3.48Å; Q257-K261 WeakPolarHBondContact O-CG 3.39Å; Q257-K261 PolarHBondContact O-N 2.9Å
258I69.8Low70.2Confident43 Ų4380.4 Ų80.422%0.22142%0.423CS..Hα-helixtrans-65.2-43.4173.4-68.7159.3000109.4S254 D255 K261 A279 N280S254-I258 WeakPolarHBondContact O-CD1 3.45Å; S254-I258 WeakPolarHBondContact O-CG1 3.44Å; S254-I258 PolarHBondContact O-N 3.46Å; D255-I258 PolarHBondContact O-N 3.45Å; I258-K261 WeakPolarHBondContact O-CB 3.44Å; I258-K261 PolarHBondContact O-N 3.43Å; I258-A279 HydrophobicContact CG2-CB 3.7Å; I258-N280 HydrophobicContact CG1-CB 4.38Å; I258-N280 HydrophobicContact CG2-CB 4.44Å
259H72.4Confident70.1Confident28 Ų2878.8 Ų78.813%0.1341%0.412CS..Hα-helixtrans-65.3-38.6175.9171.668.4000112.5C243 C246 F250 D255 M256 Q257 K261 T262 H263C243-H259 PolarHBondContact SG-CD2 3.07Å; C243-H259 PolarHBondContact SG-NE2 2.9Å; C243-H259 VanDerWaalsContact SG-NE2 3.4Å; C246-H259 PolarHBondContact SG-NE2 2.98Å; F250-H259 HydrophobicContact CE1-CB 3.76Å; F250-H259 HydrophobicContact CE2-CB 3.77Å; F250-H259 AromaticContact CE2-CD2 3.28Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.35Å; F250-H259 AromaticContact CE2-CG 3.52Å; F250-H259 HydrophobicContact CZ-CB 3.3Å; F250-H259 AromaticContact CZ-CD2 3.36Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.32Å; F250-H259 AromaticContact CZ-CG 3.1Å; F250-H259 AromaticContact CZ-ND1 3.7Å; D255-H259 VanDerWaalsContact O-CB 3.25Å; D255-H259 WeakPolarHBondContact O-CB 3.36Å; D255-H259 PolarHBondContact O-N 3.42Å; M256-H259 CarbonylContact O-C 3.28Å; M256-H259 PolarHBondContact O-N 3.16Å; Q257-H259 VanDerWaalsContact C-N 3.33Å; H259-K261 PolarHBondContact O-N 2.97Å; H259-K261 VanDerWaalsContact O-N 3.17Å; H259-T262 WeakPolarHBondContact O-CB 3.18Å; H259-T262 PolarHBondContact O-N 2.81Å; H259-T262 PolarHBondContact O-OG1 3.18Å; H259-H263 AromaticContact CD2-NE2 3.88Å; H259-H263 AromaticContact CE1-NE2 3.33Å; H259-H263 PolarHBondContact CE1-NE2 3.33Å; H259-H263 VanDerWaalsContact CE1-NE2 3.33Å; H259-H263 AromaticContact NE2-CD2 3.67Å; H259-H263 AromaticContact NE2-CE1 3.98Å; H259-H263 AromaticContact NE2-NE2 2.93Å; H259-H263 PolarHBondContact NE2-NE2 3.41Å
260S69.4Low69.9Low41 Ų4182.5 Ų82.529%0.28742%0.421SS..Hα-helixtrans-61.8-28.3177.7610000112.4M256 Q257 T262 H263 T264M256-S260 WeakPolarHBondContact O-CB 3.34Å; M256-S260 PolarHBondContact O-N 3.08Å; M256-S260 PolarHBondContact O-OG 2.86Å; Q257-S260 WeakPolarHBondContact CA-OG 3.48Å; Q257-S260 PolarHBondContact O-N 3.02Å; Q257-S260 PolarHBondContact O-OG 3.48Å; S260-T262 PolarHBondContact O-N 3.35Å; S260-H263 WeakPolarHBondContact O-CB 3.47Å; S260-H263 PolarHBondContact O-N 3.17Å; S260-T264 PolarHBondContact O-N 2.9Å; S260-T264 PolarHBondContact O-OG1 3.45Å
261K70Confident69.9Low73 Ų7381 Ų8132%0.31742%0.416SS..THydrogen-bonded Turntrans-69.3-9.2172.9-63.7172.5-175.8-177.70113.9Q257 I258 H259 H263 A279Q257-K261 WeakPolarHBondContact O-CG 3.39Å; Q257-K261 PolarHBondContact O-N 2.9Å; I258-K261 WeakPolarHBondContact O-CB 3.44Å; I258-K261 PolarHBondContact O-N 3.43Å; H259-K261 PolarHBondContact O-N 2.97Å; H259-K261 VanDerWaalsContact O-N 3.17Å; K261-H263 VanDerWaalsContact C-N 3.34Å; K261-A279 WeakPolarHBondContact CD-O 3.45Å
262T65.3Low69.7Low89 Ų8976 Ų7655%0.54640%0.4SS..THydrogen-bonded Turntrans-81.6-19.3169.170.50000112H259 S260 A279H259-T262 WeakPolarHBondContact O-CB 3.18Å; H259-T262 PolarHBondContact O-N 2.81Å; H259-T262 PolarHBondContact O-OG1 3.18Å; S260-T262 PolarHBondContact O-N 3.35Å; T262-A279 HydrophobicContact CG2-CB 4.33Å
263H66.6Low69.4Low73 Ų7378.7 Ų78.734%0.33841%0.408SS..THydrogen-bonded Turntrans-91.5-26176.3-62.2-61.1000112.7C243 V245 H259 S260 K261C243-H263 PolarHBondContact SG-CD2 3.3Å; C243-H263 PolarHBondContact SG-NE2 3.38Å; C243-H263 VanDerWaalsContact SG-NE2 3.44Å; V245-H263 HydrophobicContact CB-CB 4.18Å; V245-H263 HydrophobicContact CG1-CB 4.1Å; V245-H263 HydrophobicContact CG2-CB 4.08Å; H259-H263 AromaticContact CD2-NE2 3.88Å; H259-H263 AromaticContact CE1-NE2 3.33Å; H259-H263 PolarHBondContact CE1-NE2 3.33Å; H259-H263 VanDerWaalsContact CE1-NE2 3.33Å; H259-H263 AromaticContact NE2-CD2 3.67Å; H259-H263 AromaticContact NE2-CE1 3.98Å; H259-H263 AromaticContact NE2-NE2 2.93Å; H259-H263 PolarHBondContact NE2-NE2 3.41Å; S260-H263 WeakPolarHBondContact O-CB 3.47Å; S260-H263 PolarHBondContact O-N 3.17Å; K261-H263 VanDerWaalsContact C-N 3.34Å
264T62Low69.8Low75 Ų7575.4 Ų75.446%0.4640%0.399SS..SBendtrans-107.1129.2176.759.30000109.4S260 A266S260-T264 PolarHBondContact O-N 2.9Å; S260-T264 PolarHBondContact O-OG1 3.45Å; T264-A266 PolarHBondContact O-N 3.27Å
265E56.9Low70.1Confident201 Ų20179.8 Ų79.894%0.93942%0.423SS*.  trans-61.7-1.7171.2-62.2-174.6161.600113.6K267E265-K267 PolarHBondContact O-N 3.24Å
266A53.9Low70.3Confident62 Ų6281.9 Ų81.951%0.51243%0.429SS..THydrogen-bonded Turntrans-71.7111178.600000112.3T264T264-A266 PolarHBondContact O-N 3.27Å
267K56.7Low70.3Confident169 Ų16984 Ų8474%0.73544%0.444SS*.THydrogen-bonded Turntrans7348.1162-146170.8-171.7172.90115.1E265E265-K267 PolarHBondContact O-N 3.24Å
268A66.9Low70.6Confident37 Ų3781.4 Ų81.431%0.30643%0.431SS..  trans-76131.3162.700000110.5K270 F278A268-K270 PolarHBondContact O-N 3.45Å; A268-F278 CarbonylContact C-O 3.46Å; A268-F278 WeakPolarHBondContact CA-O 3.19Å
269H72.6Confident70.9Confident57 Ų5780.4 Ų80.426%0.26443%0.43SS..EExtended strand (participates in β ladder)trans-74.9104.1174.7-67.9-93.3000108.8F278 N280 A281 L284H269-F278 HydrophobicContact CB-CB 4.5Å; H269-F278 PolarHBondContact N-O 3.21Å; H269-F278 PolarHBondContact O-N 3.13Å; H269-N280 VanDerWaalsContact CD2-CA 3.44Å; H269-N280 WeakPolarHBondContact CD2-CA 3.46Å; H269-A281 PolarHBondContact CD2-N 3.22Å; H269-A281 VanDerWaalsContact CD2-N 3.3Å; H269-A281 PolarHBondContact NE2-N 3.06Å; H269-L284 HydrophobicContact CB-CB 4Å; H269-L284 HydrophobicContact CB-CD2 3.77Å; H269-L284 HydrophobicContact CB-CG 4.46Å
270K76Confident71.1Confident162 Ų16280.1 Ų80.170%0.70443%0.429SS*.EExtended strand (participates in β ladder)trans-76.9140.6-178.7-54.3-166.5176.3-178.50110.4A268 T277A268-K270 PolarHBondContact O-N 3.45Å; K270-T277 HydrophobicContact CB-CG2 4.35Å; K270-T277 HydrophobicContact CD-CG2 4.39Å; K270-T277 HydrophobicContact CG-CG2 3.8Å
271C78.9Confident71.3Confident10 Ų1079.6 Ų79.67%0.06843%0.427CS..  trans-74.5133.3169.6-174.60000110.1H273 C274 K276 F278 L284 H287 H291C271-H273 PolarHBondContact O-N 2.07Å; C271-H273 PolarHBondContact SG-N 2.89Å; C271-H273 VanDerWaalsContact SG-N 3.42Å; C271-C274 VanDerWaalsContact SG-SG 3.68Å; C271-K276 WeakPolarHBondContact CB-O 3.32Å; C271-K276 PolarHBondContact N-O 3.45Å; C271-F278 HydrophobicContact CB-CE2 4.33Å; C271-L284 HydrophobicContact CB-CD1 3.98Å; C271-H287 VanDerWaalsContact SG-CD2 3.52Å; C271-H287 PolarHBondContact SG-NE2 2.74Å; C271-H291 PolarHBondContact SG-NE2 3.47Å
272P74Confident71.7Confident61 Ų6180.4 Ų80.440%0.39644%0.442SS..SBendtrans-70.1-20.3174.627.3-34000113L288P272-L288 HydrophobicContact CG-CD2 4.14Å
273H74.3Confident72.5Confident96 Ų9682.1 Ų82.144%0.44444%0.439SS..SBendtrans-105.8-6.5-174.3-58.7-63.8000114.1C271 H291C271-H273 PolarHBondContact O-N 2.07Å; C271-H273 PolarHBondContact SG-N 2.89Å; C271-H273 VanDerWaalsContact SG-N 3.42Å; H273-H291 HydrophobicContact CB-CB 4.39Å; H273-H291 VanDerWaalsContact CB-CE1 3.43Å; H273-H291 WeakPolarHBondContact CB-CE1 3.38Å; H273-H291 WeakPolarHBondContact CB-ND1 3.28Å; H273-H291 AromaticContact CD2-CG 3.95Å
274C82.4Confident73.1Confident43 Ų4379 Ų7929%0.29143%0.425SS..SBendtrans-155.9169.817570.30000112.3C271 K276 H287C271-C274 VanDerWaalsContact SG-SG 3.68Å; C274-K276 PolarHBondContact O-N 2.95Å; C274-H287 PolarHBondContact SG-NE2 3.41Å
275T81.1Confident73.9Confident146 Ų14676.4 Ų76.490%0.89641%0.411SS*.SBendtrans-71.81.1-178.4560000114.5
276K76.3Confident75.1Confident123 Ų12369.6 Ų69.654%0.53538%0.379SS..  trans-75.8137.9-176.5-62.5-169.5178.6-161.30111.6C271 C274 F278C271-K276 WeakPolarHBondContact CB-O 3.32Å; C271-K276 PolarHBondContact N-O 3.45Å; C274-K276 PolarHBondContact O-N 2.95Å; K276-F278 HydrophobicContact CB-CE2 3.85Å; K276-F278 HydrophobicContact CB-CZ 3.87Å; K276-F278 HydrophobicContact CD-CZ 4.39Å
277T78.9Confident76.5Confident80 Ų8067.4 Ų67.449%0.49136%0.358SS..EExtended strand (participates in β ladder)trans-119.7141.8176.9640000109.9K270K270-T277 HydrophobicContact CB-CG2 4.35Å; K270-T277 HydrophobicContact CD-CG2 4.39Å; K270-T277 HydrophobicContact CG-CG2 3.8Å
278F78.9Confident77.5Confident41 Ų4159.3 Ų59.318%0.1832%0.323CS..EExtended strand (participates in β ladder)trans-121.8143.4-174-62.1-84.2000111.3A268 H269 C271 K276 N280 L284 H287A268-F278 CarbonylContact C-O 3.46Å; A268-F278 WeakPolarHBondContact CA-O 3.19Å; H269-F278 HydrophobicContact CB-CB 4.5Å; H269-F278 PolarHBondContact N-O 3.21Å; H269-F278 PolarHBondContact O-N 3.13Å; C271-F278 HydrophobicContact CB-CE2 4.33Å; K276-F278 HydrophobicContact CB-CE2 3.85Å; K276-F278 HydrophobicContact CB-CZ 3.87Å; K276-F278 HydrophobicContact CD-CZ 4.39Å; F278-N280 PolarHBondContact O-N 3.01Å; F278-L284 HydrophobicContact CB-CB 4.21Å; F278-L284 HydrophobicContact CD2-CB 4Å; F278-L284 HydrophobicContact CD2-CD1 3.74Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CD1 4.03Å; F278-L284 HydrophobicContact CG-CB 4.28Å; F278-H287 HydrophobicContact CD2-CB 4.5Å; F278-H287 HydrophobicContact CE1-CB 3.81Å; F278-H287 HydrophobicContact CE2-CB 3.72Å; F278-H287 AromaticContact CE2-CD2 3.29Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.22Å; F278-H287 AromaticContact CE2-CG 3.45Å; F278-H287 VanDerWaalsContact CE2-CG 3.45Å; F278-H287 AromaticContact CE2-NE2 3.94Å; F278-H287 HydrophobicContact CZ-CB 3.33Å; F278-H287 AromaticContact CZ-CD2 3.47Å; F278-H287 VanDerWaalsContact CZ-CD2 3.47Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.48Å; F278-H287 AromaticContact CZ-CG 3.11Å; F278-H287 AromaticContact CZ-ND1 3.52Å; F278-H287 AromaticContact CZ-NE2 4Å
279A76.4Confident78.3Confident22 Ų2259.2 Ų59.218%0.18232%0.315CS..SBendtrans-67.9-19.2-178.500000113.7I258 K261 T262I258-A279 HydrophobicContact CG2-CB 3.7Å; K261-A279 WeakPolarHBondContact CD-O 3.45Å; T262-A279 HydrophobicContact CG2-CB 4.33Å
280N75.3Confident78.9Confident21 Ų2160.3 Ų60.311%0.11232%0.322CS..SBendtrans-148.6163.2176.469.626.9000112.3I258 H269 F278 S282 Y283 L284I258-N280 HydrophobicContact CG1-CB 4.38Å; I258-N280 HydrophobicContact CG2-CB 4.44Å; H269-N280 VanDerWaalsContact CD2-CA 3.44Å; H269-N280 WeakPolarHBondContact CD2-CA 3.46Å; F278-N280 PolarHBondContact O-N 3.01Å; N280-S282 VanDerWaalsContact C-N 3.32Å; N280-S282 PolarHBondContact O-N 3.18Å; N280-S282 PolarHBondContact OD1-N 3.32Å; N280-Y283 WeakPolarHBondContact ND2-CD2 3.19Å; N280-Y283 VanDerWaalsContact ND2-CE2 3.28Å; N280-Y283 WeakPolarHBondContact ND2-CE2 3.42Å; N280-Y283 PolarHBondContact O-N 3.34Å; N280-Y283 VanDerWaalsContact OD1-CB 3.28Å; N280-Y283 WeakPolarHBondContact OD1-CB 3.31Å; N280-Y283 WeakPolarHBondContact OD1-CD2 3.28Å; N280-Y283 VanDerWaalsContact OD1-CG 3.26Å; N280-Y283 PolarHBondContact OD1-N 3.38Å; N280-L284 PolarHBondContact O-N 3.2Å
281A74.1Confident78.9Confident31 Ų3156.4 Ų56.426%0.25631%0.306SS..Hα-helixtrans-63.4-34.3178.500000112.8I122 H269 Y283 L284 A285I122-A281 HydrophobicContact CG2-CB 4.14Å; H269-A281 PolarHBondContact CD2-N 3.22Å; H269-A281 VanDerWaalsContact CD2-N 3.3Å; H269-A281 PolarHBondContact NE2-N 3.06Å; A281-Y283 PolarHBondContact O-N 2.8Å; A281-L284 PolarHBondContact O-N 2.87Å; A281-A285 WeakPolarHBondContact O-CB 3.39Å; A281-A285 PolarHBondContact O-N 3.1Å
282S78.4Confident78.7Confident89 Ų8958.7 Ų58.762%0.62232%0.318SS*.Hα-helixtrans-64.8-39.1-179.5-50.60000112.7N280 A285 Q286N280-S282 VanDerWaalsContact C-N 3.32Å; N280-S282 PolarHBondContact O-N 3.18Å; N280-S282 PolarHBondContact OD1-N 3.32Å; S282-A285 PolarHBondContact O-N 3.31Å; S282-Q286 WeakPolarHBondContact O-CB 3.39Å; S282-Q286 PolarHBondContact O-N 3.27Å
283Y81.5Confident78.9Confident125 Ų12558 Ų5849%0.4932%0.322SS..Hα-helixtrans-71.2-37.8174.2-71.3-52.2000111.3N280 A281 Q286 H287N280-Y283 WeakPolarHBondContact ND2-CD2 3.19Å; N280-Y283 VanDerWaalsContact ND2-CE2 3.28Å; N280-Y283 WeakPolarHBondContact ND2-CE2 3.42Å; N280-Y283 PolarHBondContact O-N 3.34Å; N280-Y283 VanDerWaalsContact OD1-CB 3.28Å; N280-Y283 WeakPolarHBondContact OD1-CB 3.31Å; N280-Y283 WeakPolarHBondContact OD1-CD2 3.28Å; N280-Y283 VanDerWaalsContact OD1-CG 3.26Å; N280-Y283 PolarHBondContact OD1-N 3.38Å; A281-Y283 PolarHBondContact O-N 2.8Å; Y283-Q286 PolarHBondContact O-N 3.41Å; Y283-H287 VanDerWaalsContact O-CB 3.31Å; Y283-H287 WeakPolarHBondContact O-CB 2.99Å; Y283-H287 PolarHBondContact O-N 3.13Å
284L79.4Confident79Confident8 Ų854.9 Ų54.94%0.04231%0.308CS..Hα-helixtrans-61-46.9171.1174.662.1000111I122 H269 C271 F278 N280 A281 Q286 H287 L288I122-L284 HydrophobicContact CG1-CD2 4.33Å; H269-L284 HydrophobicContact CB-CB 4Å; H269-L284 HydrophobicContact CB-CD2 3.77Å; H269-L284 HydrophobicContact CB-CG 4.46Å; C271-L284 HydrophobicContact CB-CD1 3.98Å; F278-L284 HydrophobicContact CB-CB 4.21Å; F278-L284 HydrophobicContact CD2-CB 4Å; F278-L284 HydrophobicContact CD2-CD1 3.74Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CD1 4.03Å; F278-L284 HydrophobicContact CG-CB 4.28Å; N280-L284 PolarHBondContact O-N 3.2Å; A281-L284 PolarHBondContact O-N 2.87Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.91Å; L284-H287 CarbonylContact O-C 3.53Å; L284-H287 WeakPolarHBondContact O-CA 3.37Å; L284-H287 WeakPolarHBondContact O-CB 3.37Å; L284-H287 PolarHBondContact O-N 3.35Å; L284-H287 VanDerWaalsContact O-N 3.07Å; L284-L288 HydrophobicContact CD1-CD1 4.34Å; L284-L288 HydrophobicContact CD1-CD2 4.47Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CG-CD1 4.1Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.48Å
285A78.7Confident79Confident21 Ų2158.1 Ų58.117%0.17432%0.317CS..Hα-helixtrans-56.8-47.7175.800000111L118 I122 A281 S282 H287 L288 R289L118-A285 HydrophobicContact CD2-CB 3.94Å; L118-A285 WeakPolarHBondContact CD2-O 3.37Å; I122-A285 HydrophobicContact CD1-CB 3.67Å; A281-A285 WeakPolarHBondContact O-CB 3.39Å; A281-A285 PolarHBondContact O-N 3.1Å; S282-A285 PolarHBondContact O-N 3.31Å; A285-H287 VanDerWaalsContact C-N 3.26Å; A285-H287 PolarHBondContact O-N 3.45Å; A285-L288 PolarHBondContact O-N 3.24Å; A285-R289 PolarHBondContact O-N 3.16Å
286Q81.9Confident78.8Confident57 Ų5752.1 Ų52.127%0.26628%0.281SS..Hα-helixtrans-60.2-38.6176.3179.3175.269.900112.6S282 Y283 L284 R289 Q308S282-Q286 WeakPolarHBondContact O-CB 3.39Å; S282-Q286 PolarHBondContact O-N 3.27Å; Y283-Q286 PolarHBondContact O-N 3.41Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.91Å; Q286-R289 WeakPolarHBondContact O-CB 3.4Å; Q286-Q308 HydrophobicContact CG-CG 4.37Å
287H83.7Confident79Confident16 Ų1649.9 Ų49.97%0.07427%0.269CS..Hα-helixtrans-69.9-40177169.370.8000112.9C271 C274 F278 Y283 L284 A285 R289 I290 H291C271-H287 VanDerWaalsContact SG-CD2 3.52Å; C271-H287 PolarHBondContact SG-NE2 2.74Å; C274-H287 PolarHBondContact SG-NE2 3.41Å; F278-H287 HydrophobicContact CD2-CB 4.5Å; F278-H287 HydrophobicContact CE1-CB 3.81Å; F278-H287 HydrophobicContact CE2-CB 3.72Å; F278-H287 AromaticContact CE2-CD2 3.29Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.22Å; F278-H287 AromaticContact CE2-CG 3.45Å; F278-H287 VanDerWaalsContact CE2-CG 3.45Å; F278-H287 AromaticContact CE2-NE2 3.94Å; F278-H287 HydrophobicContact CZ-CB 3.33Å; F278-H287 AromaticContact CZ-CD2 3.47Å; F278-H287 VanDerWaalsContact CZ-CD2 3.47Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.48Å; F278-H287 AromaticContact CZ-CG 3.11Å; F278-H287 AromaticContact CZ-ND1 3.52Å; F278-H287 AromaticContact CZ-NE2 4Å; Y283-H287 VanDerWaalsContact O-CB 3.31Å; Y283-H287 WeakPolarHBondContact O-CB 2.99Å; Y283-H287 PolarHBondContact O-N 3.13Å; L284-H287 CarbonylContact O-C 3.53Å; L284-H287 WeakPolarHBondContact O-CA 3.37Å; L284-H287 WeakPolarHBondContact O-CB 3.37Å; L284-H287 PolarHBondContact O-N 3.35Å; L284-H287 VanDerWaalsContact O-N 3.07Å; A285-H287 VanDerWaalsContact C-N 3.26Å; A285-H287 PolarHBondContact O-N 3.45Å; H287-R289 PolarHBondContact O-N 3.35Å; H287-I290 WeakPolarHBondContact O-CB 3.29Å; H287-I290 VanDerWaalsContact O-CG1 3.26Å; H287-I290 WeakPolarHBondContact O-CG1 3.22Å; H287-I290 PolarHBondContact O-N 3.13Å; H287-H291 AromaticContact CE1-NE2 3.67Å; H287-H291 AromaticContact NE2-CD2 3.59Å; H287-H291 AromaticContact NE2-NE2 3.24Å; H287-H291 PolarHBondContact NE2-NE2 3.12Å
288L78.3Confident79.2Confident0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-59.3-28.3178.5-77.3174.2000112.6L118 L121 I122 P272 L284 A285 I290 H291 L292L118-L288 HydrophobicContact CD2-CB 3.54Å; L118-L288 HydrophobicContact CD2-CD1 4.14Å; L118-L288 HydrophobicContact CD2-CG 4.49Å; L121-L288 HydrophobicContact CB-CD1 3.94Å; L121-L288 HydrophobicContact CD1-CD1 4.4Å; I122-L288 HydrophobicContact CG1-CD1 4.24Å; P272-L288 HydrophobicContact CG-CD2 4.14Å; L284-L288 HydrophobicContact CD1-CD1 4.34Å; L284-L288 HydrophobicContact CD1-CD2 4.47Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CG-CD1 4.1Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.48Å; A285-L288 PolarHBondContact O-N 3.24Å; L288-I290 PolarHBondContact O-N 2.89Å; L288-I290 VanDerWaalsContact O-N 3.07Å; L288-H291 PolarHBondContact O-N 3.09Å; L288-L292 PolarHBondContact O-N 3.27Å
289R84.3Confident79.5Confident34 Ų3451.1 Ų51.113%0.12826%0.264CS..Hα-helixtrans-56.3-23.3170-67.6-173.6-83.9-158.4-14.5113.7L118 A285 Q286 H287 G293 L294 R307L118-R289 HydrophobicContact CD1-CG 4.05Å; A285-R289 PolarHBondContact O-N 3.16Å; Q286-R289 WeakPolarHBondContact O-CB 3.4Å; H287-R289 PolarHBondContact O-N 3.35Å; R289-G293 CarbonylContact O-C 3.59Å; R289-G293 PolarHBondContact O-N 2.98Å; R289-L294 HydrophobicContact CB-CB 4.19Å; R289-L294 HydrophobicContact CG-CB 4.15Å; R289-L294 PolarHBondContact O-N 3.07Å; R289-R307 VanDerWaalsContact CZ-O 3.24Å; R289-R307 PolarHBondContact NH1-O 3.5Å
290I83.8Confident80Confident81 Ų8153.4 Ų53.442%0.41528%0.279SS..Hα-helixtrans-70.8-47.2174.8-56.1179.8000110.2H287 L288 G293H287-I290 WeakPolarHBondContact O-CB 3.29Å; H287-I290 VanDerWaalsContact O-CG1 3.26Å; H287-I290 WeakPolarHBondContact O-CG1 3.22Å; H287-I290 PolarHBondContact O-N 3.13Å; L288-I290 PolarHBondContact O-N 2.89Å; L288-I290 VanDerWaalsContact O-N 3.07Å; I290-G293 PolarHBondContact O-N 3.42Å
291H77.1Confident80.3Confident79 Ų7958 Ų5837%0.36630%0.296SS..Hα-helixtrans-67.5-39.5-179.9-71-69.6000111.9C271 H273 H287 L288 G293C271-H291 PolarHBondContact SG-NE2 3.47Å; H273-H291 HydrophobicContact CB-CB 4.39Å; H273-H291 VanDerWaalsContact CB-CE1 3.43Å; H273-H291 WeakPolarHBondContact CB-CE1 3.38Å; H273-H291 WeakPolarHBondContact CB-ND1 3.28Å; H273-H291 AromaticContact CD2-CG 3.95Å; H287-H291 AromaticContact CE1-NE2 3.67Å; H287-H291 AromaticContact NE2-CD2 3.59Å; H287-H291 AromaticContact NE2-NE2 3.24Å; H287-H291 PolarHBondContact NE2-NE2 3.12Å; L288-H291 PolarHBondContact O-N 3.09Å; H291-G293 VanDerWaalsContact C-N 3.26Å; H291-G293 PolarHBondContact O-N 3.5Å
292L74.6Confident80.9Confident59 Ų5958.4 Ų58.431%0.30930%0.296SS..THydrogen-bonded Turntrans-81.8-3.2179.3-60.7171.7000113.4L118 L121 L288 L294L118-L292 HydrophobicContact CG-CD1 4.43Å; L121-L292 HydrophobicContact CD1-CD1 3.81Å; L121-L292 HydrophobicContact CD1-CD2 4.39Å; L288-L292 PolarHBondContact O-N 3.27Å; L292-L294 HydrophobicContact CB-CD1 3.91Å; L292-L294 HydrophobicContact CB-CG 3.66Å; L292-L294 HydrophobicContact CD1-CD1 3.8Å; L292-L294 HydrophobicContact CD1-CG 4.49Å; L292-L294 PolarHBondContact O-N 2.92Å
293G76.9Confident81.3Confident47 Ų4762 Ų6249%0.48530%0.303SS..  trans64.68.5-176.300000115R289 I290 H291 K295R289-G293 CarbonylContact O-C 3.59Å; R289-G293 PolarHBondContact O-N 2.98Å; I290-G293 PolarHBondContact O-N 3.42Å; H291-G293 VanDerWaalsContact C-N 3.26Å; H291-G293 PolarHBondContact O-N 3.5Å; G293-K295 PolarHBondContact O-N 2.71Å
294L77.2Confident81.3Confident29 Ų2962.8 Ų62.815%0.15231%0.305CS..  trans-65.9126-174.6-62176.4000111.3E114 L118 R289 L292 R307E114-L294 HydrophobicContact CB-CD1 4.09Å; E114-L294 HydrophobicContact CG-CD1 4.12Å; E114-L294 HydrophobicContact CG-CD2 4.06Å; L118-L294 HydrophobicContact CD1-CD1 4.04Å; R289-L294 HydrophobicContact CB-CB 4.19Å; R289-L294 HydrophobicContact CG-CB 4.15Å; R289-L294 PolarHBondContact O-N 3.07Å; L292-L294 HydrophobicContact CB-CD1 3.91Å; L292-L294 HydrophobicContact CB-CG 3.66Å; L292-L294 HydrophobicContact CD1-CD1 3.8Å; L292-L294 HydrophobicContact CD1-CG 4.49Å; L292-L294 PolarHBondContact O-N 2.92Å; L294-R307 WeakPolarHBondContact O-CG 3.47Å
295K81.8Confident81.6Confident111 Ų11164.6 Ų64.648%0.48332%0.318SS..  trans-131.373.4178.3-68.6168.2174.8-178.50109.2G293 Y297 C305 F306 R307G293-K295 PolarHBondContact O-N 2.71Å; K295-Y297 PolarHBondContact O-N 3.13Å; K295-Y297 VanDerWaalsContact O-N 3.12Å; K295-C305 HydrophobicContact CB-CB 3.51Å; K295-C305 HydrophobicContact CD-CB 4.11Å; K295-C305 WeakPolarHBondContact CD-O 2.96Å; K295-C305 HydrophobicContact CG-CB 4.41Å; K295-F306 CarbonylContact C-O 3.53Å; K295-F306 VanDerWaalsContact C-O 3.28Å; K295-F306 WeakPolarHBondContact CA-O 3.42Å; K295-R307 HydrophobicContact CG-CG 3.92Å
296P77.1Confident81.8Confident20 Ų2065.6 Ų65.613%0.1332%0.319CS..  trans-64.2-19.4-172.319.6-30.8000114L107 E114L107-P296 VanDerWaalsContact CD2-O 3.32Å; L107-P296 WeakPolarHBondContact CD2-O 3.38Å; E114-P296 WeakPolarHBondContact OE2-CB 3.49Å
297Y81.5Confident81.8Confident76 Ų7667.5 Ų67.530%0.29832%0.324SS..EExtended strand (participates in β ladder)trans-103.7103.3-172.7-53-74.3000111.2K295 C305 F306 L309K295-Y297 PolarHBondContact O-N 3.13Å; K295-Y297 VanDerWaalsContact O-N 3.12Å; Y297-C305 CarbonylContact O-C 3.53Å; Y297-C305 VanDerWaalsContact O-CA 3.31Å; Y297-C305 WeakPolarHBondContact O-CA 3.45Å; Y297-F306 WeakPolarHBondContact CD2-O 3.35Å; Y297-F306 PolarHBondContact N-O 3.38Å; Y297-F306 VanDerWaalsContact N-O 3.09Å; Y297-F306 PolarHBondContact O-N 3.14Å; Y297-L309 HydrophobicContact CD1-CB 4.16Å; Y297-L309 HydrophobicContact CD1-CD1 4.05Å; Y297-L309 HydrophobicContact CE1-CB 3.96Å; Y297-L309 HydrophobicContact CE1-CD1 4.38Å; Y297-L309 HydrophobicContact CE2-CB 4.41Å; Y297-L309 HydrophobicContact CG-CB 4.48Å
298R81.5Confident81.8Confident142 Ų14268.9 Ų68.954%0.53633%0.33SS..EExtended strand (participates in β ladder)trans-87.8141.3176.4-173176-178.2173.45111.4L312R298-L312 WeakPolarHBondContact O-CD2 3.37Å
299C87Confident81.9Confident5 Ų572.9 Ų72.93%0.03435%0.351CS..  trans-73.8138.5170.2-171.30000110.9Y301 C302 R304 F306 L312 H315C299-Y301 VanDerWaalsContact C-N 3.34Å; C299-Y301 PolarHBondContact SG-N 3.03Å; C299-C302 CarbonylContact C-O 3.47Å; C299-C302 WeakPolarHBondContact CB-O 3.13Å; C299-R304 WeakPolarHBondContact CB-O 3.44Å; C299-R304 PolarHBondContact N-O 3.12Å; C299-F306 HydrophobicContact CB-CE2 4.41Å; C299-L312 HydrophobicContact CB-CD1 3.76Å; C299-H315 VanDerWaalsContact SG-CD2 3.56Å
300S86.2Confident81.9Confident70 Ų7074.3 Ų74.349%0.4937%0.366SS..SBendtrans-76.4-23.9175.652.90000112.8
301Y81.3Confident82Confident119 Ų11974.3 Ų74.347%0.46736%0.364SS..SBendtrans-94.5-15.3-176.5-58.5-79.9000113.6C299 T316 H319C299-Y301 VanDerWaalsContact C-N 3.34Å; C299-Y301 PolarHBondContact SG-N 3.03Å; Y301-T316 HydrophobicContact CD2-CG2 4.47Å; Y301-H319 VanDerWaalsContact CB-CG 3.43Å; Y301-H319 WeakPolarHBondContact CB-ND1 3.5Å; Y301-H319 HydrophobicContact CD1-CB 4.27Å; Y301-H319 HydrophobicContact CD2-CB 3.83Å; Y301-H319 HydrophobicContact CE2-CB 4.37Å; Y301-H319 HydrophobicContact CG-CB 3.78Å; Y301-H319 AromaticContact CG-CG 3.77Å
302C87.1Confident82.5Confident39 Ų3971.4 Ų71.426%0.26435%0.351SS..SBendtrans-155.9169.8177.767.80000111.6C299 R304 H315 H319C299-C302 CarbonylContact C-O 3.47Å; C299-C302 WeakPolarHBondContact CB-O 3.13Å; C302-R304 PolarHBondContact O-N 2.65Å; C302-H315 PolarHBondContact SG-NE2 3.36Å; C302-H319 PolarHBondContact SG-NE2 3.03Å; C302-H319 VanDerWaalsContact SG-NE2 3.44Å
303E85.8Confident83Confident164 Ų16473.9 Ų73.977%0.76636%0.361SS*.SBendtrans-767.1-177.2-57.7-173.3157.800114.5C305E303-C305 PolarHBondContact O-N 3.3Å
304R81.8Confident83.5Confident141 Ų14174.5 Ų74.553%0.53235%0.352SS..  trans-74129.5-179.2-71.8-174.7165.3-168-1.6111.3C299 C302 F306C299-R304 WeakPolarHBondContact CB-O 3.44Å; C299-R304 PolarHBondContact N-O 3.12Å; C302-R304 PolarHBondContact O-N 2.65Å; R304-F306 HydrophobicContact CB-CE2 3.87Å; R304-F306 HydrophobicContact CB-CZ 4.03Å
305C86.1Confident84Confident47 Ų4773.9 Ų73.932%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-109.6145.3173.2-55.20000111.6K295 Y297 E303K295-C305 HydrophobicContact CB-CB 3.51Å; K295-C305 HydrophobicContact CD-CB 4.11Å; K295-C305 WeakPolarHBondContact CD-O 2.96Å; K295-C305 HydrophobicContact CG-CB 4.41Å; Y297-C305 CarbonylContact O-C 3.53Å; Y297-C305 VanDerWaalsContact O-CA 3.31Å; Y297-C305 WeakPolarHBondContact O-CA 3.45Å; E303-C305 PolarHBondContact O-N 3.3Å
306F82.4Confident84.2Confident41 Ų4169.8 Ų69.818%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-123.4149.8-175.5-61.6-88.9000110.9K295 Y297 C299 R304 Q308 H311 L312 H315K295-F306 CarbonylContact C-O 3.53Å; K295-F306 VanDerWaalsContact C-O 3.28Å; K295-F306 WeakPolarHBondContact CA-O 3.42Å; Y297-F306 WeakPolarHBondContact CD2-O 3.35Å; Y297-F306 PolarHBondContact N-O 3.38Å; Y297-F306 VanDerWaalsContact N-O 3.09Å; Y297-F306 PolarHBondContact O-N 3.14Å; C299-F306 HydrophobicContact CB-CE2 4.41Å; R304-F306 HydrophobicContact CB-CE2 3.87Å; R304-F306 HydrophobicContact CB-CZ 4.03Å; F306-Q308 VanDerWaalsContact C-N 3.33Å; F306-H311 HydrophobicContact CB-CB 4.32Å; F306-H311 HydrophobicContact CD1-CB 3.92Å; F306-H311 HydrophobicContact CG-CB 4.4Å; F306-L312 HydrophobicContact CB-CB 4.22Å; F306-L312 HydrophobicContact CD2-CB 3.95Å; F306-L312 HydrophobicContact CD2-CD1 3.76Å; F306-L312 HydrophobicContact CD2-CG 4.46Å; F306-L312 HydrophobicContact CE2-CD1 4Å; F306-L312 HydrophobicContact CG-CB 4.22Å; F306-H315 HydrophobicContact CE1-CB 3.86Å; F306-H315 HydrophobicContact CE2-CB 3.86Å; F306-H315 AromaticContact CE2-CD2 3.28Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.37Å; F306-H315 AromaticContact CE2-CG 3.59Å; F306-H315 AromaticContact CE2-NE2 3.98Å; F306-H315 HydrophobicContact CZ-CB 3.38Å; F306-H315 AromaticContact CZ-CD2 3.35Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.32Å; F306-H315 AromaticContact CZ-CG 3.16Å; F306-H315 AromaticContact CZ-ND1 3.71Å; F306-H315 AromaticContact CZ-NE2 3.94Å
307R83Confident84.8Confident98 Ų9871.7 Ų71.737%0.3734%0.337SS..SBendtrans-80.4-16.1177.3-47.8-168.8-160.5112.21.4113.1R289 L294 K295R289-R307 VanDerWaalsContact CZ-O 3.24Å; R289-R307 PolarHBondContact NH1-O 3.5Å; L294-R307 WeakPolarHBondContact O-CG 3.47Å; K295-R307 HydrophobicContact CG-CG 3.92Å
308Q82.7Confident85.1Confident44 Ų4473.4 Ų73.421%0.20635%0.35CS..SBendtrans-137.9142.7-176.3-57.2-177.45.700110.4Q286 F306 S310 H311 L312Q286-Q308 HydrophobicContact CG-CG 4.37Å; F306-Q308 VanDerWaalsContact C-N 3.33Å; Q308-S310 VanDerWaalsContact C-N 3.34Å; Q308-S310 PolarHBondContact O-N 2.88Å; Q308-S310 PolarHBondContact OE1-OG 3.4Å; Q308-H311 HydrophobicContact CB-CB 4.42Å; Q308-H311 PolarHBondContact O-N 3.36Å; Q308-H311 PolarHBondContact OE1-CE1 3.03Å; Q308-H311 VanDerWaalsContact OE1-CE1 3.27Å; Q308-H311 PolarHBondContact OE1-NE2 2.78Å; Q308-L312 PolarHBondContact O-N 3.01Å; Q308-L312 VanDerWaalsContact O-N 3.17Å
309L81.4Confident85.2Confident85 Ų8570.3 Ų70.345%0.44534%0.341SS..Hα-helixtrans-63.8-39178.4-177.562.3000112.1Y297 H311 L312 Q313Y297-L309 HydrophobicContact CD1-CB 4.16Å; Y297-L309 HydrophobicContact CD1-CD1 4.05Å; Y297-L309 HydrophobicContact CE1-CB 3.96Å; Y297-L309 HydrophobicContact CE1-CD1 4.38Å; Y297-L309 HydrophobicContact CE2-CB 4.41Å; Y297-L309 HydrophobicContact CG-CB 4.48Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.84Å; L309-L312 HydrophobicContact CD1-CD2 4.31Å; L309-L312 WeakPolarHBondContact O-CB 3Å; L309-L312 PolarHBondContact O-N 2.67Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L309-Q313 HydrophobicContact CG-CG 4.47Å; L309-Q313 WeakPolarHBondContact O-CG 3.32Å; L309-Q313 PolarHBondContact O-N 2.87Å
310S83.9Confident85.2Confident63 Ų6373.9 Ų73.944%0.44136%0.363SS..Hα-helixtrans-57-41175.651.60000112.2Q308 Q313 Q314Q308-S310 VanDerWaalsContact C-N 3.34Å; Q308-S310 PolarHBondContact O-N 2.88Å; Q308-S310 PolarHBondContact OE1-OG 3.4Å; S310-Q313 PolarHBondContact O-N 2.88Å; S310-Q314 WeakPolarHBondContact O-CB 3.18Å; S310-Q314 PolarHBondContact O-N 3.21Å
311H86.3Confident85.1Confident81 Ų8172.9 Ų72.938%0.37536%0.364SS..Hα-helixtrans-69.7-37.9176.5-63.1164.7000112F306 Q308 L309 Q314 H315F306-H311 HydrophobicContact CB-CB 4.32Å; F306-H311 HydrophobicContact CD1-CB 3.92Å; F306-H311 HydrophobicContact CG-CB 4.4Å; Q308-H311 HydrophobicContact CB-CB 4.42Å; Q308-H311 PolarHBondContact O-N 3.36Å; Q308-H311 PolarHBondContact OE1-CE1 3.03Å; Q308-H311 VanDerWaalsContact OE1-CE1 3.27Å; Q308-H311 PolarHBondContact OE1-NE2 2.78Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.84Å; H311-Q314 PolarHBondContact O-N 2.74Å; H311-H315 VanDerWaalsContact O-CB 3.28Å; H311-H315 WeakPolarHBondContact O-CB 3.13Å; H311-H315 PolarHBondContact O-N 3.42Å
312L87.3Confident85.3Confident19 Ų1971 Ų7110%0.09936%0.362CS..Hα-helixtrans-61.6-49.5172.4171.861.3000110.6R298 C299 F306 Q308 L309 Q314 H315 T316R298-L312 WeakPolarHBondContact O-CD2 3.37Å; C299-L312 HydrophobicContact CB-CD1 3.76Å; F306-L312 HydrophobicContact CB-CB 4.22Å; F306-L312 HydrophobicContact CD2-CB 3.95Å; F306-L312 HydrophobicContact CD2-CD1 3.76Å; F306-L312 HydrophobicContact CD2-CG 4.46Å; F306-L312 HydrophobicContact CE2-CD1 4Å; F306-L312 HydrophobicContact CG-CB 4.22Å; Q308-L312 PolarHBondContact O-N 3.01Å; Q308-L312 VanDerWaalsContact O-N 3.17Å; L309-L312 HydrophobicContact CD1-CD2 4.31Å; L309-L312 WeakPolarHBondContact O-CB 3Å; L309-L312 PolarHBondContact O-N 2.67Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.26Å; L312-H315 CarbonylContact O-C 3.55Å; L312-H315 WeakPolarHBondContact O-CA 3.4Å; L312-H315 WeakPolarHBondContact O-CB 3.24Å; L312-H315 PolarHBondContact O-N 2.99Å; L312-T316 HydrophobicContact CD1-CG2 4Å; L312-T316 HydrophobicContact CG-CG2 4.38Å; L312-T316 WeakPolarHBondContact O-CG2 3.41Å; L312-T316 PolarHBondContact O-N 3.29Å; L312-T316 PolarHBondContact O-OG1 3.3Å
313Q85.3Confident85.3Confident110 Ų11075.4 Ų75.451%0.51437%0.373SS..Hα-helixtrans-60.5-37.7178.1-72.8178.4-23.900112.7L309 S310 H315 T316L309-Q313 HydrophobicContact CG-CG 4.47Å; L309-Q313 WeakPolarHBondContact O-CG 3.32Å; L309-Q313 PolarHBondContact O-N 2.87Å; S310-Q313 PolarHBondContact O-N 2.88Å; Q313-H315 VanDerWaalsContact C-N 3.33Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.47Å; Q313-T316 PolarHBondContact O-OG1 3Å
314Q86.4Confident85.3Confident61 Ų6170.7 Ų70.729%0.28536%0.357SS..Hα-helixtrans-66.5-38.7173.6-179.6-178.659.400111.4S310 H311 L312 R317 Q338S310-Q314 WeakPolarHBondContact O-CB 3.18Å; S310-Q314 PolarHBondContact O-N 3.21Å; H311-Q314 PolarHBondContact O-N 2.74Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.26Å; Q314-R317 WeakPolarHBondContact O-CB 3.32Å; Q314-Q338 HydrophobicContact CG-CG 4.11Å
315H88.6Confident85.6Confident15 Ų1567.4 Ų67.47%0.06935%0.345CS..Hα-helixtrans-69.5-38.8177.6169.467.6000112.6C299 C302 F306 H311 L312 Q313 R317 I318 H319C299-H315 VanDerWaalsContact SG-CD2 3.56Å; C302-H315 PolarHBondContact SG-NE2 3.36Å; F306-H315 HydrophobicContact CE1-CB 3.86Å; F306-H315 HydrophobicContact CE2-CB 3.86Å; F306-H315 AromaticContact CE2-CD2 3.28Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.37Å; F306-H315 AromaticContact CE2-CG 3.59Å; F306-H315 AromaticContact CE2-NE2 3.98Å; F306-H315 HydrophobicContact CZ-CB 3.38Å; F306-H315 AromaticContact CZ-CD2 3.35Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.32Å; F306-H315 AromaticContact CZ-CG 3.16Å; F306-H315 AromaticContact CZ-ND1 3.71Å; F306-H315 AromaticContact CZ-NE2 3.94Å; H311-H315 VanDerWaalsContact O-CB 3.28Å; H311-H315 WeakPolarHBondContact O-CB 3.13Å; H311-H315 PolarHBondContact O-N 3.42Å; L312-H315 CarbonylContact O-C 3.55Å; L312-H315 WeakPolarHBondContact O-CA 3.4Å; L312-H315 WeakPolarHBondContact O-CB 3.24Å; L312-H315 PolarHBondContact O-N 2.99Å; Q313-H315 VanDerWaalsContact C-N 3.33Å; H315-R317 PolarHBondContact O-N 3.27Å; H315-R317 VanDerWaalsContact O-N 3.15Å; H315-I318 VanDerWaalsContact O-CB 3.25Å; H315-I318 WeakPolarHBondContact O-CB 3.49Å; H315-I318 WeakPolarHBondContact O-CG1 3.38Å; H315-I318 PolarHBondContact O-N 3.37Å; H315-H319 AromaticContact CE1-NE2 3.69Å; H315-H319 AromaticContact NE2-CD2 3.83Å; H315-H319 AromaticContact NE2-NE2 3.37Å; H315-H319 PolarHBondContact NE2-NE2 3.05Å
316T85.9Confident85.7Confident26 Ų2672.2 Ų72.216%0.1636%0.36CS..Hα-helixtrans-61-26.1178.853.10000112.4Y301 L312 Q313 I318 H319 T320Y301-T316 HydrophobicContact CD2-CG2 4.47Å; L312-T316 HydrophobicContact CD1-CG2 4Å; L312-T316 HydrophobicContact CG-CG2 4.38Å; L312-T316 WeakPolarHBondContact O-CG2 3.41Å; L312-T316 PolarHBondContact O-N 3.29Å; L312-T316 PolarHBondContact O-OG1 3.3Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.47Å; Q313-T316 PolarHBondContact O-OG1 3Å; T316-I318 PolarHBondContact O-N 2.81Å; T316-I318 VanDerWaalsContact O-N 3.15Å; T316-H319 PolarHBondContact O-N 2.94Å; T316-T320 PolarHBondContact O-N 3.45Å; T316-T320 PolarHBondContact O-OG1 3.45Å
317R89.4Confident86Confident59 Ų5970.8 Ų70.822%0.22336%0.355CS..Hα-helixtrans-58.6-23.5172.2-64.3177.2-168.7175-0.1113.7Q314 H315 T320 G321 D322 T337Q314-R317 WeakPolarHBondContact O-CB 3.32Å; H315-R317 PolarHBondContact O-N 3.27Å; H315-R317 VanDerWaalsContact O-N 3.15Å; R317-T320 WeakPolarHBondContact CA-OG1 3.41Å; R317-G321 CarbonylContact O-C 3.37Å; R317-G321 WeakPolarHBondContact O-CA 3.29Å; R317-G321 PolarHBondContact O-N 2.74Å; R317-D322 HydrophobicContact CB-CB 4.41Å; R317-D322 HydrophobicContact CG-CB 4.27Å; R317-D322 PolarHBondContact O-N 3.33Å; R317-T337 HydrophobicContact CB-CG2 4.24Å; R317-T337 PolarHBondContact NH1-O 2.88Å
318I86.8Confident86.1Confident112 Ų11273.8 Ų73.857%0.57438%0.378SS*.Hα-helixtrans-70.8-37.1175.2-57.4174.2000110.3H315 T316H315-I318 VanDerWaalsContact O-CB 3.25Å; H315-I318 WeakPolarHBondContact O-CB 3.49Å; H315-I318 WeakPolarHBondContact O-CG1 3.38Å; H315-I318 PolarHBondContact O-N 3.37Å; T316-I318 PolarHBondContact O-N 2.81Å; T316-I318 VanDerWaalsContact O-N 3.15Å
319H84.4Confident86Confident77 Ų7775.4 Ų75.436%0.35639%0.385SS..Hα-helixtrans-78.1-39.2179.2-67.8-73.4000112.2Y301 C302 H315 T316 G321Y301-H319 VanDerWaalsContact CB-CG 3.43Å; Y301-H319 WeakPolarHBondContact CB-ND1 3.5Å; Y301-H319 HydrophobicContact CD1-CB 4.27Å; Y301-H319 HydrophobicContact CD2-CB 3.83Å; Y301-H319 HydrophobicContact CE2-CB 4.37Å; Y301-H319 HydrophobicContact CG-CB 3.78Å; Y301-H319 AromaticContact CG-CG 3.77Å; C302-H319 PolarHBondContact SG-NE2 3.03Å; C302-H319 VanDerWaalsContact SG-NE2 3.44Å; H315-H319 AromaticContact CE1-NE2 3.69Å; H315-H319 AromaticContact NE2-CD2 3.83Å; H315-H319 AromaticContact NE2-NE2 3.37Å; H315-H319 PolarHBondContact NE2-NE2 3.05Å; T316-H319 PolarHBondContact O-N 2.94Å; H319-G321 VanDerWaalsContact C-N 3.32Å
320T86.2Confident85.9Confident80 Ų8076.5 Ų76.549%0.49140%0.397SS..Hα-helixtrans-82.5-11.6179.561.20000113.3T316 R317 D322T316-T320 PolarHBondContact O-N 3.45Å; T316-T320 PolarHBondContact O-OG1 3.45Å; R317-T320 WeakPolarHBondContact CA-OG1 3.41Å; T320-D322 PolarHBondContact O-N 3.25Å; T320-D322 WeakPolarHBondContact OG1-CB 3.48Å; T320-D322 PolarHBondContact OG1-N 3.28Å
321G84.1Confident85.7Confident50 Ų5077.9 Ų77.952%0.51542%0.422SS..  trans67.213.3-172.400000113.7R317 H319 R323R317-G321 CarbonylContact O-C 3.37Å; R317-G321 WeakPolarHBondContact O-CA 3.29Å; R317-G321 PolarHBondContact O-N 2.74Å; H319-G321 VanDerWaalsContact C-N 3.32Å; G321-R323 WeakPolarHBondContact O-CG 3.42Å; G321-R323 PolarHBondContact O-N 3.15Å
322D86.3Confident85.6Confident78 Ų7874.9 Ų74.942%0.41741%0.409SS..  trans-68.8119.5-177.1-18024.4000111.4R317 T320 P324R317-D322 HydrophobicContact CB-CB 4.41Å; R317-D322 HydrophobicContact CG-CB 4.27Å; R317-D322 PolarHBondContact O-N 3.33Å; T320-D322 PolarHBondContact O-N 3.25Å; T320-D322 WeakPolarHBondContact OG1-CB 3.48Å; T320-D322 PolarHBondContact OG1-N 3.28Å; D322-P324 WeakPolarHBondContact O-CD 3.35Å
323R86.7Confident85.4Confident132 Ų13283.4 Ų83.450%0.49845%0.449SS..  trans-125.275.7-177.5-63.5173.893.4119.80.6109.3G321 Y325 A335 F336 T337G321-R323 WeakPolarHBondContact O-CG 3.42Å; G321-R323 PolarHBondContact O-N 3.15Å; R323-Y325 PolarHBondContact O-N 2.87Å; R323-A335 HydrophobicContact CB-CB 3.62Å; R323-A335 PolarHBondContact NE-O 2.95Å; R323-A335 PolarHBondContact NH2-O 2.61Å; R323-F336 CarbonylContact C-O 3.47Å; R323-F336 WeakPolarHBondContact CA-O 3.36Å; R323-T337 HydrophobicContact CG-CG2 4.02Å
324P86.1Confident85.3Confident65 Ų6583.9 Ų83.942%0.42245%0.449SS..  trans-68.3-18.7-172.725.5-33.3000113D322D322-P324 WeakPolarHBondContact O-CD 3.35Å
325Y88.4Confident85.4Confident73 Ų7381.9 Ų81.929%0.28644%0.443SS..EExtended strand (participates in β ladder)trans-101.195.5-175.6-53.9-72.7000111R323 A335 F336 T337 L339R323-Y325 PolarHBondContact O-N 2.87Å; Y325-A335 CarbonylContact O-C 3.56Å; Y325-A335 WeakPolarHBondContact O-CA 3.33Å; Y325-F336 PolarHBondContact N-O 3.39Å; Y325-F336 VanDerWaalsContact N-O 3.15Å; Y325-F336 PolarHBondContact O-N 3.41Å; Y325-T337 WeakPolarHBondContact CE2-O 3.35Å; Y325-L339 HydrophobicContact CD1-CB 4.12Å; Y325-L339 HydrophobicContact CD1-CD1 3.96Å; Y325-L339 HydrophobicContact CE1-CB 3.91Å; Y325-L339 HydrophobicContact CE1-CD1 4.23Å; Y325-L339 HydrophobicContact CE2-CB 4.41Å; Y325-L339 HydrophobicContact CG-CB 4.48Å
326K87.2Confident85.3Confident148 Ų14882.7 Ų82.764%0.64345%0.447SS*.EExtended strand (participates in β ladder)trans-90.4142.2178.4-61.4-176.3-179.8-178.70111.4A335K326-A335 HydrophobicContact CG-CB 3.93Å
327C88.7Confident85.3Confident11 Ų1182.7 Ų82.77%0.07445%0.447CS..  trans-71.4133.6166.7-164.60000109.1C332 K334 L342 H349C327-C332 HydrophobicContact CB-CB 4.42Å; C327-K334 VanDerWaalsContact CB-O 3.25Å; C327-K334 WeakPolarHBondContact CB-O 3.28Å; C327-K334 PolarHBondContact N-O 2.8Å; C327-L342 HydrophobicContact CB-CD1 4.03Å; C327-H349 PolarHBondContact SG-NE2 3.24Å
328L85.7Confident85.2Confident160 Ų16082.5 Ų82.584%0.83845%0.448SS*.  trans-103.58.8177-62.1173.7000111.9
329H81.5Confident85.1Confident78 Ų7881.1 Ų81.136%0.36144%0.442SS..SBendtrans-71133.4177.9-170.7-79.3000109.5G331 C332 H349H329-G331 PolarHBondContact O-N 2.77Å; H329-C332 HydrophobicContact CB-CB 4.1Å; H329-C332 WeakPolarHBondContact O-CB 3.21Å; H329-C332 PolarHBondContact O-N 3.15Å; H329-H349 AromaticContact CD2-CD2 3.98Å; H329-H349 AromaticContact CD2-CG 3.61Å; H329-H349 AromaticContact CG-CD2 3.71Å; H329-H349 AromaticContact CG-CG 3.62Å; H329-H349 AromaticContact CG-ND1 3.86Å; H329-H349 AromaticContact CG-NE2 3.97Å; H329-H349 AromaticContact ND1-ND1 3.85Å
330P78.1Confident85Confident108 Ų10880.3 Ų80.370%0.70145%0.445SS*.THydrogen-bonded Turntrans-56133.5178.821.1-31.5000110.8C332P330-C332 VanDerWaalsContact C-N 3.3Å; P330-C332 PolarHBondContact O-N 3.04Å
331G79.6Confident84.9Confident92 Ų9279.9 Ų79.995%0.94844%0.439SS*.THydrogen-bonded Turntrans75.47.8-175.800000115.6H329H329-G331 PolarHBondContact O-N 2.77Å
332C84.4Confident85Confident18 Ų1878.1 Ų78.112%0.12242%0.418CS..  trans-119.7108.2177.5-164.20000112.8C327 H329 P330 K334 H345 H349C327-C332 HydrophobicContact CB-CB 4.42Å; H329-C332 HydrophobicContact CB-CB 4.1Å; H329-C332 WeakPolarHBondContact O-CB 3.21Å; H329-C332 PolarHBondContact O-N 3.15Å; P330-C332 VanDerWaalsContact C-N 3.3Å; P330-C332 PolarHBondContact O-N 3.04Å; C332-K334 VanDerWaalsContact C-N 3.33Å; C332-K334 PolarHBondContact O-N 3.37Å; C332-H345 PolarHBondContact SG-NE2 3.01Å; C332-H349 PolarHBondContact SG-NE2 3.25Å
333E83.9Confident84.9Confident198 Ų19876.9 Ų76.993%0.92541%0.409SS*.  trans-9415.9179.8-61.6-17817700113.5A335E333-A335 PolarHBondContact O-N 3.31Å
334K83.6Confident84.5Confident120 Ų12071.6 Ų71.652%0.52239%0.393SS..  trans-74.5127.9-174.7-69.9178.9-179.31750111.3C327 C332 F336C327-K334 VanDerWaalsContact CB-O 3.25Å; C327-K334 WeakPolarHBondContact CB-O 3.28Å; C327-K334 PolarHBondContact N-O 2.8Å; C332-K334 VanDerWaalsContact C-N 3.33Å; C332-K334 PolarHBondContact O-N 3.37Å; K334-F336 HydrophobicContact CB-CE2 3.88Å; K334-F336 HydrophobicContact CB-CZ 3.95Å
335A87.8Confident84.4Confident19 Ų1969 Ų6916%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-112.9155.5171.700000111.5R323 Y325 K326 E333R323-A335 HydrophobicContact CB-CB 3.62Å; R323-A335 PolarHBondContact NE-O 2.95Å; R323-A335 PolarHBondContact NH2-O 2.61Å; Y325-A335 CarbonylContact O-C 3.56Å; Y325-A335 WeakPolarHBondContact O-CA 3.33Å; K326-A335 HydrophobicContact CG-CB 3.93Å; E333-A335 PolarHBondContact O-N 3.31Å
336F86.4Confident83.9Confident33 Ų3369.1 Ų69.115%0.14538%0.378CS..EExtended strand (participates in β ladder)trans-135.8151.7-175.5-58.7-87.9000111.4R323 Y325 K334 Q338 N341 L342 H345R323-F336 CarbonylContact C-O 3.47Å; R323-F336 WeakPolarHBondContact CA-O 3.36Å; Y325-F336 PolarHBondContact N-O 3.39Å; Y325-F336 VanDerWaalsContact N-O 3.15Å; Y325-F336 PolarHBondContact O-N 3.41Å; K334-F336 HydrophobicContact CB-CE2 3.88Å; K334-F336 HydrophobicContact CB-CZ 3.95Å; F336-Q338 VanDerWaalsContact C-N 3.33Å; F336-N341 HydrophobicContact CB-CB 4.2Å; F336-N341 HydrophobicContact CD1-CB 3.88Å; F336-N341 HydrophobicContact CG-CB 4.23Å; F336-L342 HydrophobicContact CB-CB 4.45Å; F336-L342 HydrophobicContact CD2-CB 3.93Å; F336-L342 HydrophobicContact CD2-CD1 3.88Å; F336-L342 HydrophobicContact CE2-CD1 4.07Å; F336-L342 HydrophobicContact CG-CB 4.4Å; F336-H345 HydrophobicContact CE1-CB 4.13Å; F336-H345 HydrophobicContact CE2-CB 3.76Å; F336-H345 AromaticContact CE2-CD2 3.38Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.44Å; F336-H345 AromaticContact CE2-CG 3.63Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.56Å; F336-H345 AromaticContact CZ-CG 3.33Å
337T85.8Confident83.6Confident26 Ų2665 Ų6516%0.1636%0.359CS..SBendtrans-79.6-17.2176.156.10000112.6R317 R323 Y325R317-T337 HydrophobicContact CB-CG2 4.24Å; R317-T337 PolarHBondContact NH1-O 2.88Å; R323-T337 HydrophobicContact CG-CG2 4.02Å; Y325-T337 WeakPolarHBondContact CE2-O 3.35Å
338Q86.7Confident82.9Confident55 Ų5569.5 Ų69.526%0.25738%0.379SS..SBendtrans-134.4145.3-176.8-47.6-173.58.900111.6Q314 F336 S340 N341 L342Q314-Q338 HydrophobicContact CG-CG 4.11Å; F336-Q338 VanDerWaalsContact C-N 3.33Å; Q338-S340 PolarHBondContact OE1-OG 3.49Å; Q338-N341 HydrophobicContact CB-CB 4.4Å; Q338-N341 PolarHBondContact O-N 3.26Å; Q338-L342 PolarHBondContact O-N 3.43Å
339L85.6Confident82.5Confident83 Ų8364.6 Ų64.644%0.43535%0.351SS..Hα-helixtrans-66.2-41.2178.3-178.463.3000112.4Y325 N341 L342 Q343Y325-L339 HydrophobicContact CD1-CB 4.12Å; Y325-L339 HydrophobicContact CD1-CD1 3.96Å; Y325-L339 HydrophobicContact CE1-CB 3.91Å; Y325-L339 HydrophobicContact CE1-CD1 4.23Å; Y325-L339 HydrophobicContact CE2-CB 4.41Å; Y325-L339 HydrophobicContact CG-CB 4.48Å; L339-N341 PolarHBondContact O-N 3.11Å; L339-L342 HydrophobicContact CD1-CD2 4.36Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 3.43Å; L339-L342 VanDerWaalsContact O-N 3.08Å; L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.28Å; L339-Q343 PolarHBondContact O-N 2.92Å
340S82.5Confident81.9Confident60 Ų6066.7 Ų66.742%0.4237%0.365SS..Hα-helixtrans-55.8-39.1176.949.90000112.3Q338 Q343 S344Q338-S340 PolarHBondContact OE1-OG 3.49Å; S340-Q343 PolarHBondContact O-N 2.89Å; S340-S344 WeakPolarHBondContact O-CB 3.46Å; S340-S344 PolarHBondContact O-N 2.74Å
341N84.3Confident81.4Confident70 Ų7069.9 Ų69.937%0.37437%0.368SS..Hα-helixtrans-69.7-40.5177.6-66.4-6.6000111.3F336 Q338 L339 S344 H345F336-N341 HydrophobicContact CB-CB 4.2Å; F336-N341 HydrophobicContact CD1-CB 3.88Å; F336-N341 HydrophobicContact CG-CB 4.23Å; Q338-N341 HydrophobicContact CB-CB 4.4Å; Q338-N341 PolarHBondContact O-N 3.26Å; L339-N341 PolarHBondContact O-N 3.11Å; N341-S344 PolarHBondContact O-N 3.04Å; N341-H345 VanDerWaalsContact O-CB 3.32Å; N341-H345 WeakPolarHBondContact O-CB 3.2Å; N341-H345 PolarHBondContact O-N 2.75Å
342L85.9Confident80.9Confident13 Ų1369.6 Ų69.67%0.06834%0.344CS..Hα-helixtrans-61.3-47.1172.5173.263.8000111.1C327 F336 Q338 L339 S344 H345 Q346C327-L342 HydrophobicContact CB-CD1 4.03Å; F336-L342 HydrophobicContact CB-CB 4.45Å; F336-L342 HydrophobicContact CD2-CB 3.93Å; F336-L342 HydrophobicContact CD2-CD1 3.88Å; F336-L342 HydrophobicContact CE2-CD1 4.07Å; F336-L342 HydrophobicContact CG-CB 4.4Å; Q338-L342 PolarHBondContact O-N 3.43Å; L339-L342 HydrophobicContact CD1-CD2 4.36Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 3.43Å; L339-L342 VanDerWaalsContact O-N 3.08Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.25Å; L342-H345 CarbonylContact O-C 3.54Å; L342-H345 WeakPolarHBondContact O-CB 2.92Å; L342-H345 PolarHBondContact O-N 3.47Å; L342-H345 VanDerWaalsContact O-N 3.16Å; L342-Q346 HydrophobicContact CD1-CG 4.11Å; L342-Q346 HydrophobicContact CG-CG 4.39Å; L342-Q346 WeakPolarHBondContact O-CG 3.24Å; L342-Q346 PolarHBondContact O-N 3.16Å
343Q83.3Confident80.3Confident52 Ų5274 Ų7424%0.24336%0.362CS..Hα-helixtrans-60.8-42.4178.2-71.6176.7-3300111.8L339 S340 H345 Q346 R347L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.28Å; L339-Q343 PolarHBondContact O-N 2.92Å; S340-Q343 PolarHBondContact O-N 2.89Å; Q343-H345 VanDerWaalsContact C-N 3.34Å; Q343-Q346 PolarHBondContact O-N 2.96Å; Q343-R347 PolarHBondContact O-N 3.49Å
344S79.8Confident79.8Confident21 Ų2168 Ų6815%0.14734%0.34CS..Hα-helixtrans-61.4-43.3174.1-171.70000112.5S340 N341 L342 R347 D366S340-S344 WeakPolarHBondContact O-CB 3.46Å; S340-S344 PolarHBondContact O-N 2.74Å; N341-S344 PolarHBondContact O-N 3.04Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.25Å; S344-R347 VanDerWaalsContact CA-NH2 3.31Å; S344-R347 PolarHBondContact O-N 2.81Å; S344-R347 PolarHBondContact OG-NH2 3.49Å; S344-D366 WeakPolarHBondContact OG-CB 3.38Å
345H83Confident79.4Confident10 Ų1065.5 Ų65.55%0.04633%0.329CS..Hα-helixtrans-64.9-40.6175.7170.757.1000112.5C332 F336 N341 L342 Q343 R347 Q348 H349C332-H345 PolarHBondContact SG-NE2 3.01Å; F336-H345 HydrophobicContact CE1-CB 4.13Å; F336-H345 HydrophobicContact CE2-CB 3.76Å; F336-H345 AromaticContact CE2-CD2 3.38Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.44Å; F336-H345 AromaticContact CE2-CG 3.63Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.56Å; F336-H345 AromaticContact CZ-CG 3.33Å; N341-H345 VanDerWaalsContact O-CB 3.32Å; N341-H345 WeakPolarHBondContact O-CB 3.2Å; N341-H345 PolarHBondContact O-N 2.75Å; L342-H345 CarbonylContact O-C 3.54Å; L342-H345 WeakPolarHBondContact O-CB 2.92Å; L342-H345 PolarHBondContact O-N 3.47Å; L342-H345 VanDerWaalsContact O-N 3.16Å; Q343-H345 VanDerWaalsContact C-N 3.34Å; H345-R347 PolarHBondContact O-N 3.21Å; H345-Q348 PolarHBondContact ND1-OE1 3.24Å; H345-Q348 WeakPolarHBondContact O-CB 3.42Å; H345-Q348 WeakPolarHBondContact O-CG 3.43Å; H345-Q348 PolarHBondContact O-N 3.33Å; H345-H349 AromaticContact CD2-NE2 3.98Å; H345-H349 AromaticContact CE1-CE1 3.86Å; H345-H349 AromaticContact CE1-NE2 3.37Å; H345-H349 PolarHBondContact CE1-NE2 2.9Å; H345-H349 AromaticContact NE2-CD2 3.9Å; H345-H349 AromaticContact NE2-CE1 3.92Å; H345-H349 AromaticContact NE2-NE2 3.07Å; H345-H349 PolarHBondContact NE2-NE2 2.94Å
346Q78.7Confident78.9Confident76 Ų7671.5 Ų71.536%0.35535%0.352SS..Hα-helixtrans-61-33.4177.9-77174.4-38.500112.6L342 Q343 Q348 H349 N350L342-Q346 HydrophobicContact CD1-CG 4.11Å; L342-Q346 HydrophobicContact CG-CG 4.39Å; L342-Q346 WeakPolarHBondContact O-CG 3.24Å; L342-Q346 PolarHBondContact O-N 3.16Å; Q343-Q346 PolarHBondContact O-N 2.96Å; Q346-Q348 PolarHBondContact O-N 3.1Å; Q346-H349 PolarHBondContact O-N 3.27Å; Q346-N350 PolarHBondContact O-N 3.42Å
347R79.9Confident78.3Confident63 Ų6370 Ų7024%0.23835%0.345CS..Hα-helixtrans-61.7-22.8174-70.3-172.1-64.1-97.57.9113.2Q343 S344 H345 K351 D352 S365Q343-R347 PolarHBondContact O-N 3.49Å; S344-R347 VanDerWaalsContact CA-NH2 3.31Å; S344-R347 PolarHBondContact O-N 2.81Å; S344-R347 PolarHBondContact OG-NH2 3.49Å; H345-R347 PolarHBondContact O-N 3.21Å; R347-K351 PolarHBondContact O-N 3.36Å; R347-D352 PolarHBondContact O-N 3.48Å; R347-D352 VanDerWaalsContact O-N 3.13Å; R347-S365 VanDerWaalsContact CZ-O 3.31Å; R347-S365 PolarHBondContact NE-O 3.02Å; R347-S365 PolarHBondContact NH2-O 3.4Å; R347-S365 VanDerWaalsContact NH2-O 3.07Å
348Q74.7Confident77.8Confident105 Ų10573.6 Ų73.649%0.49137%0.371SS..Hα-helixtrans-70.8-34.1174.9-56.5176.3-18.900112.3H345 Q346H345-Q348 PolarHBondContact ND1-OE1 3.24Å; H345-Q348 WeakPolarHBondContact O-CB 3.42Å; H345-Q348 WeakPolarHBondContact O-CG 3.43Å; H345-Q348 PolarHBondContact O-N 3.33Å; Q346-Q348 PolarHBondContact O-N 3.1Å
349H76.2Confident77Confident57 Ų5776.2 Ų76.226%0.26439%0.387SS..Hα-helixtrans-70.8-43.2176.7-65.1-52.8000111.3C327 H329 C332 H345 Q346 K351C327-H349 PolarHBondContact SG-NE2 3.24Å; H329-H349 AromaticContact CD2-CD2 3.98Å; H329-H349 AromaticContact CD2-CG 3.61Å; H329-H349 AromaticContact CG-CD2 3.71Å; H329-H349 AromaticContact CG-CG 3.62Å; H329-H349 AromaticContact CG-ND1 3.86Å; H329-H349 AromaticContact CG-NE2 3.97Å; H329-H349 AromaticContact ND1-ND1 3.85Å; C332-H349 PolarHBondContact SG-NE2 3.25Å; H345-H349 AromaticContact CD2-NE2 3.98Å; H345-H349 AromaticContact CE1-CE1 3.86Å; H345-H349 AromaticContact CE1-NE2 3.37Å; H345-H349 PolarHBondContact CE1-NE2 2.9Å; H345-H349 AromaticContact NE2-CD2 3.9Å; H345-H349 AromaticContact NE2-CE1 3.92Å; H345-H349 AromaticContact NE2-NE2 3.07Å; H345-H349 PolarHBondContact NE2-NE2 2.94Å; Q346-H349 PolarHBondContact O-N 3.27Å; H349-K351 PolarHBondContact O-N 3.49Å
350N69Low76.5Confident121 Ų12174.9 Ų74.965%0.64738%0.384SS*.THydrogen-bonded Turntrans-81.71.1-176.8-62.8-0.3000113.3Q346 D352Q346-N350 PolarHBondContact O-N 3.42Å; N350-D352 HydrophobicContact CB-CB 4.35Å; N350-D352 PolarHBondContact O-N 3.4Å
351K69.2Low75.9Confident176 Ų17679.9 Ų79.977%0.76540%0.399SS*.THydrogen-bonded Turntrans50.520.7-170.3-61.9177.8-177.9173.70113.7R347 H349 K353R347-K351 PolarHBondContact O-N 3.36Å; H349-K351 PolarHBondContact O-N 3.49Å; K351-K353 PolarHBondContact O-N 2.87Å
352D68.9Low75.1Confident85 Ų8581.4 Ų81.446%0.45540%0.399SS..  trans-76.3119.3-179.7-175.410000109.2R347 N350 P354R347-D352 PolarHBondContact O-N 3.48Å; R347-D352 VanDerWaalsContact O-N 3.13Å; N350-D352 HydrophobicContact CB-CB 4.35Å; N350-D352 PolarHBondContact O-N 3.4Å; D352-P354 WeakPolarHBondContact O-CD 3.44Å
353K70.4Confident74.4Confident112 Ų11282 Ų8249%0.48741%0.406SS..  trans-128.477.7-174.6-67.2171.1175-173.60109.2K351 F355 A363 Y364K351-K353 PolarHBondContact O-N 2.87Å; K353-F355 PolarHBondContact O-N 3.47Å; K353-A363 HydrophobicContact CB-CB 3.43Å; K353-A363 VanDerWaalsContact CB-CB 3.43Å; K353-A363 HydrophobicContact CD-CB 3.98Å; K353-A363 WeakPolarHBondContact CD-O 3.45Å; K353-A363 HydrophobicContact CG-CB 4.32Å; K353-Y364 CarbonylContact C-O 3.56Å; K353-Y364 VanDerWaalsContact CA-O 3.32Å; K353-Y364 WeakPolarHBondContact CA-O 3.31Å
354P74.8Confident74Confident71 Ų7181.1 Ų81.146%0.46140%0.401SS..  trans-71.1-20.5-175.826.1-32.4000112.7D352 K356D352-P354 WeakPolarHBondContact O-CD 3.44Å; P354-K356 PolarHBondContact O-N 3.45Å
355F75.5Confident73.7Confident67 Ų6781.1 Ų81.129%0.29440%0.401SS..EExtended strand (participates in β ladder)trans-95.499.2-174.7-58.1-74.9000111.1K353 A363 Y364 D366 L370K353-F355 PolarHBondContact O-N 3.47Å; F355-A363 CarbonylContact O-C 3.54Å; F355-A363 WeakPolarHBondContact O-CA 3.48Å; F355-Y364 PolarHBondContact N-O 3.31Å; F355-Y364 PolarHBondContact O-N 3.39Å; F355-D366 VanDerWaalsContact CD2-C 3.42Å; F355-D366 VanDerWaalsContact CD2-CA 3.48Å; F355-L370 HydrophobicContact CB-CB 4.19Å; F355-L370 HydrophobicContact CB-CD2 3.89Å
356K75.7Confident73.5Confident146 Ų14682 Ų8264%0.63541%0.406SS*.EExtended strand (participates in β ladder)trans-97.4139178-63.1-179.3-177.3177.70111.4P354 R362 A363P354-K356 PolarHBondContact O-N 3.45Å; K356-R362 CarbonylContact C-O 3.49Å; K356-R362 WeakPolarHBondContact CA-O 3.3Å; K356-A363 HydrophobicContact CG-CB 3.89Å
357C75.1Confident73.6Confident1 Ų181.7 Ų81.71%0.00741%0.411CS..  trans-77.6126.2170.91790000110N359 C360 F361 R362 Y364 L370 H373C357-N359 VanDerWaalsContact C-N 3.27Å; C357-N359 PolarHBondContact O-N 2.94Å; C357-N359 PolarHBondContact SG-N 3.12Å; C357-N359 VanDerWaalsContact SG-N 3.43Å; C357-C360 VanDerWaalsContact SG-SG 3.65Å; C357-F361 WeakPolarHBondContact O-CA 2.98Å; C357-F361 PolarHBondContact O-N 3.13Å; C357-R362 PolarHBondContact N-O 3.27Å; C357-Y364 HydrophobicContact CB-CE2 4.36Å; C357-L370 HydrophobicContact CB-CD1 3.74Å; C357-H373 VanDerWaalsContact SG-CD2 3.54Å; C357-H373 PolarHBondContact SG-NE2 3.08Å
358S73.8Confident73.6Confident101 Ų10181.3 Ų81.371%0.70642%0.422SS*.THydrogen-bonded Turntrans-70.3-23.3177.7-50.90000113.3
359N70.8Confident73.8Confident110 Ų11078.4 Ų78.459%0.58841%0.413SS*.THydrogen-bonded Turntrans-84.2-33.8-175.9-66.337.7000113.1C357C357-N359 VanDerWaalsContact C-N 3.27Å; C357-N359 PolarHBondContact O-N 2.94Å; C357-N359 PolarHBondContact SG-N 3.12Å; C357-N359 VanDerWaalsContact SG-N 3.43Å
360C75.4Confident74Confident56 Ų5676.5 Ų76.538%0.37841%0.405SS..THydrogen-bonded Turntrans-133.89.9-176.971.60000113.9C357 R362 H373C357-C360 VanDerWaalsContact SG-SG 3.65Å; C360-R362 PolarHBondContact O-N 3.04Å; C360-H373 VanDerWaalsContact SG-CE1 3.5Å; C360-H373 PolarHBondContact SG-NE2 2.85Å
361F69.4Low74.5Confident165 Ų16576.4 Ų76.472%0.72440%0.401SS*.  trans58.69.2176.1-56.3-76.9000115.9C357C357-F361 WeakPolarHBondContact O-CA 2.98Å; C357-F361 PolarHBondContact O-N 3.13Å
362R67.1Low74.9Confident102 Ų10273.8 Ų73.839%0.38539%0.394SS..  trans-72.7136.2178.5-168.8165.4175.5125.5-7111.3K356 C357 C360 Y364 C390 G391K356-R362 CarbonylContact C-O 3.49Å; K356-R362 WeakPolarHBondContact CA-O 3.3Å; C357-R362 PolarHBondContact N-O 3.27Å; C360-R362 PolarHBondContact O-N 3.04Å; R362-Y364 HydrophobicContact CB-CE2 4.04Å; R362-Y364 WeakPolarHBondContact CD-OH 3.44Å; R362-Y364 HydrophobicContact CG-CE2 4.03Å; R362-Y364 WeakPolarHBondContact O-CD2 3.26Å; R362-Y364 WeakPolarHBondContact O-CE2 3.19Å; R362-C390 PolarHBondContact NH2-O 2.8Å; R362-G391 VanDerWaalsContact NH1-C 3.34Å; R362-G391 PolarHBondContact NH1-O 3.24Å; R362-G391 PolarHBondContact NH2-O 3.24Å
363A72.1Confident75.3Confident25 Ų2570.5 Ų70.521%0.20738%0.376CS..EExtended strand (participates in β ladder)trans-103142.6-176.300000112.2K353 F355 K356K353-A363 HydrophobicContact CB-CB 3.43Å; K353-A363 VanDerWaalsContact CB-CB 3.43Å; K353-A363 HydrophobicContact CD-CB 3.98Å; K353-A363 WeakPolarHBondContact CD-O 3.45Å; K353-A363 HydrophobicContact CG-CB 4.32Å; F355-A363 CarbonylContact O-C 3.54Å; F355-A363 WeakPolarHBondContact O-CA 3.48Å; K356-A363 HydrophobicContact CG-CB 3.89Å
364Y74Confident75.6Confident34 Ų3467.4 Ų67.413%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-127.2149.1-175.8-61.7-92.1000110.8K353 F355 C357 R362 D366 L370 H373K353-Y364 CarbonylContact C-O 3.56Å; K353-Y364 VanDerWaalsContact CA-O 3.32Å; K353-Y364 WeakPolarHBondContact CA-O 3.31Å; F355-Y364 PolarHBondContact N-O 3.31Å; F355-Y364 PolarHBondContact O-N 3.39Å; C357-Y364 HydrophobicContact CB-CE2 4.36Å; R362-Y364 HydrophobicContact CB-CE2 4.04Å; R362-Y364 WeakPolarHBondContact CD-OH 3.44Å; R362-Y364 HydrophobicContact CG-CE2 4.03Å; R362-Y364 WeakPolarHBondContact O-CD2 3.26Å; R362-Y364 WeakPolarHBondContact O-CE2 3.19Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; Y364-L370 HydrophobicContact CD2-CB 4.01Å; Y364-L370 HydrophobicContact CD2-CD1 3.7Å; Y364-L370 HydrophobicContact CD2-CG 4.44Å; Y364-L370 HydrophobicContact CE2-CD1 3.89Å; Y364-L370 HydrophobicContact CG-CB 4.19Å; Y364-H373 HydrophobicContact CE1-CB 4Å; Y364-H373 HydrophobicContact CE2-CB 4.11Å; Y364-H373 AromaticContact CE2-CD2 3.65Å; Y364-H373 AromaticContact CE2-CG 3.9Å; Y364-H373 AromaticContact CZ-CD2 3.7Å; Y364-H373 AromaticContact CZ-CG 3.46Å; Y364-H373 VanDerWaalsContact CZ-CG 3.46Å; Y364-H373 WeakPolarHBondContact OH-CB 3.04Å; Y364-H373 PolarHBondContact OH-CD2 3.07Å; Y364-H373 VanDerWaalsContact OH-CD2 3.25Å; Y364-H373 PolarHBondContact OH-CE1 3Å; Y364-H373 PolarHBondContact OH-ND1 3.48Å
365S75.1Confident75.7Confident21 Ų2167 Ų6715%0.14736%0.363CS..SBendtrans-74.5-18177.246.60000113.1R347R347-S365 VanDerWaalsContact CZ-O 3.31Å; R347-S365 PolarHBondContact NE-O 3.02Å; R347-S365 PolarHBondContact NH2-O 3.4Å; R347-S365 VanDerWaalsContact NH2-O 3.07Å
366D78.4Confident75.5Confident29 Ų2964.8 Ų64.816%0.15536%0.357CS..SBendtrans-149.4150.8-174.364.3-56.6000111.9S344 F355 Y364 A368 S369 L370S344-D366 WeakPolarHBondContact OG-CB 3.38Å; F355-D366 VanDerWaalsContact CD2-C 3.42Å; F355-D366 VanDerWaalsContact CD2-CA 3.48Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 2.91Å; D366-S369 PolarHBondContact O-N 3.07Å; D366-S369 WeakPolarHBondContact OD1-CB 3.43Å; D366-S369 PolarHBondContact OD1-OG 3.17Å; D366-S369 PolarHBondContact OD2-N 3.18Å; D366-S369 VanDerWaalsContact OD2-N 3.14Å; D366-S369 PolarHBondContact OD2-OG 3.41Å; D366-L370 PolarHBondContact O-N 2.86Å
367S80.7Confident75.1Confident68 Ų6860.6 Ų60.648%0.47634%0.34SS..Hα-helixtrans-65.7-34.8-177.459.40000112.3L370 Q371S367-L370 PolarHBondContact O-N 3.34Å; S367-Q371 WeakPolarHBondContact O-CG 3.25Å; S367-Q371 PolarHBondContact O-N 3.43Å
368A78.7Confident74.6Confident55 Ų5564.3 Ų64.346%0.45537%0.37SS..Hα-helixtrans-62.6-46.8178.700000111.5D366 L370 Q371 I372D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 2.91Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.41Å; A368-Q371 PolarHBondContact O-N 3.46Å; A368-Q371 VanDerWaalsContact O-N 3.15Å; A368-I372 WeakPolarHBondContact O-CG1 3.38Å; A368-I372 PolarHBondContact O-N 2.82Å
369S79.1Confident74.2Confident45 Ų4564 Ų6432%0.31536%0.36SS..Hα-helixtrans-59.7-39.2173.5-63.20000113.2D366 H373D366-S369 PolarHBondContact O-N 3.07Å; D366-S369 WeakPolarHBondContact OD1-CB 3.43Å; D366-S369 PolarHBondContact OD1-OG 3.17Å; D366-S369 PolarHBondContact OD2-N 3.18Å; D366-S369 VanDerWaalsContact OD2-N 3.14Å; D366-S369 PolarHBondContact OD2-OG 3.41Å; S369-H373 WeakPolarHBondContact O-CB 3.42Å; S369-H373 PolarHBondContact O-N 3.06Å
370L80.7Confident73.5Confident17 Ų1767.4 Ų67.49%0.08937%0.369CS..Hα-helixtrans-64.1-43.5173.3174.763.2000111.2F355 C357 Y364 D366 S367 A368 H373 L374F355-L370 HydrophobicContact CB-CB 4.19Å; F355-L370 HydrophobicContact CB-CD2 3.89Å; C357-L370 HydrophobicContact CB-CD1 3.74Å; Y364-L370 HydrophobicContact CD2-CB 4.01Å; Y364-L370 HydrophobicContact CD2-CD1 3.7Å; Y364-L370 HydrophobicContact CD2-CG 4.44Å; Y364-L370 HydrophobicContact CE2-CD1 3.89Å; Y364-L370 HydrophobicContact CG-CB 4.19Å; D366-L370 PolarHBondContact O-N 2.86Å; S367-L370 PolarHBondContact O-N 3.34Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.41Å; L370-H373 CarbonylContact O-C 3.58Å; L370-H373 WeakPolarHBondContact O-CA 3.22Å; L370-H373 WeakPolarHBondContact O-CB 3.25Å; L370-H373 PolarHBondContact O-N 3Å; L370-H373 VanDerWaalsContact O-N 3.15Å; L370-L374 HydrophobicContact CD1-CD1 4.12Å; L370-L374 HydrophobicContact CD1-CD2 4.38Å; L370-L374 HydrophobicContact CD1-CG 3.94Å; L370-L374 HydrophobicContact CD2-CD1 4.36Å; L370-L374 HydrophobicContact CG-CD1 3.86Å; L370-L374 HydrophobicContact CG-CG 4.15Å; L370-L374 WeakPolarHBondContact O-CB 3.49Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.36Å; L370-L374 PolarHBondContact O-N 3.3Å
371Q80.1Confident72.1Confident119 Ų11972.7 Ų72.756%0.55639%0.394SS*.Hα-helixtrans-64.5-41.1179.5-69.9-58.1-44.100112.4S367 A368 H373 L374 S375S367-Q371 WeakPolarHBondContact O-CG 3.25Å; S367-Q371 PolarHBondContact O-N 3.43Å; A368-Q371 PolarHBondContact O-N 3.46Å; A368-Q371 VanDerWaalsContact O-N 3.15Å; Q371-H373 VanDerWaalsContact C-N 3.28Å; Q371-H373 PolarHBondContact O-N 3.3Å; Q371-L374 PolarHBondContact O-N 3.11Å; Q371-S375 PolarHBondContact O-N 3.45Å
372I77.1Confident71.2Confident120 Ų12067.1 Ų67.162%0.61538%0.378SS*.Hα-helixtrans-59.2-44.5171.9-66.8166.3000109.8A368 S375 A376A368-I372 WeakPolarHBondContact O-CG1 3.38Å; A368-I372 PolarHBondContact O-N 2.82Å; I372-S375 PolarHBondContact O-N 3.48Å; I372-S375 PolarHBondContact O-OG 3.4Å; I372-A376 PolarHBondContact O-N 3.48Å
373H77.6Confident70.5Confident16 Ų1670.4 Ų70.47%0.07440%0.395CS..Hα-helixtrans-63.8-42.2176.417167.7000113.4C357 C360 Y364 S369 L370 Q371 S375 A376 H377C357-H373 VanDerWaalsContact SG-CD2 3.54Å; C357-H373 PolarHBondContact SG-NE2 3.08Å; C360-H373 VanDerWaalsContact SG-CE1 3.5Å; C360-H373 PolarHBondContact SG-NE2 2.85Å; Y364-H373 HydrophobicContact CE1-CB 4Å; Y364-H373 HydrophobicContact CE2-CB 4.11Å; Y364-H373 AromaticContact CE2-CD2 3.65Å; Y364-H373 AromaticContact CE2-CG 3.9Å; Y364-H373 AromaticContact CZ-CD2 3.7Å; Y364-H373 AromaticContact CZ-CG 3.46Å; Y364-H373 VanDerWaalsContact CZ-CG 3.46Å; Y364-H373 WeakPolarHBondContact OH-CB 3.04Å; Y364-H373 PolarHBondContact OH-CD2 3.07Å; Y364-H373 VanDerWaalsContact OH-CD2 3.25Å; Y364-H373 PolarHBondContact OH-CE1 3Å; Y364-H373 PolarHBondContact OH-ND1 3.48Å; S369-H373 WeakPolarHBondContact O-CB 3.42Å; S369-H373 PolarHBondContact O-N 3.06Å; L370-H373 CarbonylContact O-C 3.58Å; L370-H373 WeakPolarHBondContact O-CA 3.22Å; L370-H373 WeakPolarHBondContact O-CB 3.25Å; L370-H373 PolarHBondContact O-N 3Å; L370-H373 VanDerWaalsContact O-N 3.15Å; Q371-H373 VanDerWaalsContact C-N 3.28Å; Q371-H373 PolarHBondContact O-N 3.3Å; H373-S375 VanDerWaalsContact C-N 3.28Å; H373-S375 PolarHBondContact O-N 2.94Å; H373-A376 WeakPolarHBondContact O-CB 3.28Å; H373-A376 PolarHBondContact O-N 3.45Å; H373-A376 VanDerWaalsContact O-N 3.11Å; H373-H377 AromaticContact CD2-CD2 3.96Å; H373-H377 AromaticContact CD2-NE2 3.86Å; H373-H377 AromaticContact CE1-CD2 3.8Å; H373-H377 AromaticContact CE1-NE2 3.16Å; H373-H377 PolarHBondContact CE1-NE2 2.91Å; H373-H377 AromaticContact NE2-CD2 3.47Å; H373-H377 PolarHBondContact NE2-CD2 3.38Å; H373-H377 AromaticContact NE2-NE2 2.92Å; H373-H377 PolarHBondContact NE2-NE2 2.84Å; H373-H377 PolarHBondContact O-N 3.27Å
374L77.3Confident69.9Low47 Ų4772.2 Ų72.225%0.24641%0.41CS..Hα-helixtrans-64.8-33.2176.5-70.6173.2000111.8L370 Q371 A376 H377 A378L370-L374 HydrophobicContact CD1-CD1 4.12Å; L370-L374 HydrophobicContact CD1-CD2 4.38Å; L370-L374 HydrophobicContact CD1-CG 3.94Å; L370-L374 HydrophobicContact CD2-CD1 4.36Å; L370-L374 HydrophobicContact CG-CD1 3.86Å; L370-L374 HydrophobicContact CG-CG 4.15Å; L370-L374 WeakPolarHBondContact O-CB 3.49Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.36Å; L370-L374 PolarHBondContact O-N 3.3Å; Q371-L374 PolarHBondContact O-N 3.11Å; L374-A376 PolarHBondContact O-N 3.34Å; L374-H377 WeakPolarHBondContact O-CB 3.28Å; L374-H377 PolarHBondContact O-N 3.43Å; L374-A378 PolarHBondContact O-N 2.76Å
375S76.5Confident69.5Low62 Ų6272.9 Ų72.943%0.43441%0.413SS..Hα-helixtrans-61.9-30.1173.677.90000112.5Q371 I372 H373 H377 A378Q371-S375 PolarHBondContact O-N 3.45Å; I372-S375 PolarHBondContact O-N 3.48Å; I372-S375 PolarHBondContact O-OG 3.4Å; H373-S375 VanDerWaalsContact C-N 3.28Å; H373-S375 PolarHBondContact O-N 2.94Å; S375-H377 VanDerWaalsContact C-N 3.33Å; S375-A378 PolarHBondContact O-N 2.93Å
376A70.6Confident68.9Low21 Ų2175 Ų7517%0.17443%0.427CS..Hα-helixtrans-71.3-26.9173.500000112.8I372 H373 L374 A393I372-A376 PolarHBondContact O-N 3.48Å; H373-A376 WeakPolarHBondContact O-CB 3.28Å; H373-A376 PolarHBondContact O-N 3.45Å; H373-A376 VanDerWaalsContact O-N 3.11Å; L374-A376 PolarHBondContact O-N 3.34Å; A376-A393 HydrophobicContact CB-CB 4.49Å
377H66.9Low68.4Low59 Ų5973.6 Ų73.627%0.27342%0.42SS..Hα-helixtrans-78.1-27171.7-71.1-68.7000112.8H373 L374 S375 I379H373-H377 AromaticContact CD2-CD2 3.96Å; H373-H377 AromaticContact CD2-NE2 3.86Å; H373-H377 AromaticContact CE1-CD2 3.8Å; H373-H377 AromaticContact CE1-NE2 3.16Å; H373-H377 PolarHBondContact CE1-NE2 2.91Å; H373-H377 AromaticContact NE2-CD2 3.47Å; H373-H377 PolarHBondContact NE2-CD2 3.38Å; H373-H377 AromaticContact NE2-NE2 2.92Å; H373-H377 PolarHBondContact NE2-NE2 2.84Å; H373-H377 PolarHBondContact O-N 3.27Å; L374-H377 WeakPolarHBondContact O-CB 3.28Å; L374-H377 PolarHBondContact O-N 3.43Å; S375-H377 VanDerWaalsContact C-N 3.33Å; H377-I379 VanDerWaalsContact C-N 3.31Å; H377-I379 PolarHBondContact O-N 3.01Å
378A66.4Low67.5Low78 Ų7875.4 Ų75.465%0.64543%0.432SS*.Hα-helixtrans-73.4-21-176.500000113.5L374 S375 K380L374-A378 PolarHBondContact O-N 2.76Å; S375-A378 PolarHBondContact O-N 2.93Å; A378-K380 PolarHBondContact O-N 3.4Å
379I64.3Low66.7Low95 Ų9579.3 Ų79.349%0.48744%0.442SS..SBendtrans-79.572.9174.2-52.2168.4000108.2H377 N381 A382H377-I379 VanDerWaalsContact C-N 3.31Å; H377-I379 PolarHBondContact O-N 3.01Å; I379-N381 PolarHBondContact O-N 3.46Å; I379-N381 VanDerWaalsContact O-N 3.11Å; I379-A382 HydrophobicContact CG2-CB 4.02Å; I379-A382 PolarHBondContact O-N 3.33Å
380K55.8Low66.4Low182 Ų18278.8 Ų78.879%0.79144%0.439SS*.THydrogen-bonded Turntrans-55.8117.7174.4-76.7179.6174.9-179.70109.2A378A378-K380 PolarHBondContact O-N 3.4Å
381N47.2Very low65.5Low167 Ų16778.9 Ų78.989%0.89344%0.444SS*.THydrogen-bonded Turntrans97.72.5174.4-52.4-54.3000119.3I379I379-N381 PolarHBondContact O-N 3.46Å; I379-N381 VanDerWaalsContact O-N 3.11Å
382A50.8Low64.7Low48 Ų4880.1 Ų80.140%0.39744%0.443SS..SBendtrans-93.1114.8157.300000107.1I379 A384I379-A382 HydrophobicContact CG2-CB 4.02Å; I379-A382 PolarHBondContact O-N 3.33Å; A382-A384 PolarHBondContact O-N 3.45Å
383K52.2Low64.1Low170 Ų17076.2 Ų76.274%0.73943%0.429SS*.  trans-37.7115.3171.3-75.8172.6176.6174.20108.6Y385K383-Y385 HydrophobicContact CB-CE1 4.3Å; K383-Y385 HydrophobicContact CB-CE2 4.49Å; K383-Y385 WeakPolarHBondContact O-CD2 3.44Å; K383-Y385 WeakPolarHBondContact O-CE2 3.44Å; K383-Y385 PolarHBondContact O-N 3.29Å
384A59Low63.7Low63 Ų6377.7 Ų77.752%0.52143%0.434SS..  trans-59.7107.7179.200000108A382 C386A382-A384 PolarHBondContact O-N 3.45Å; A384-C386 VanDerWaalsContact C-N 3.27Å; A384-C386 PolarHBondContact O-N 3.34Å
385Y65.6Low63.1Low48 Ų4880.4 Ų80.419%0.18845%0.453CS..EExtended strand (participates in β ladder)trans-78.983.4-177.1-67.6-72.6000108.9K383 Y394 S396 E397 L400K383-Y385 HydrophobicContact CB-CE1 4.3Å; K383-Y385 HydrophobicContact CB-CE2 4.49Å; K383-Y385 WeakPolarHBondContact O-CD2 3.44Å; K383-Y385 WeakPolarHBondContact O-CE2 3.44Å; K383-Y385 PolarHBondContact O-N 3.29Å; Y385-Y394 PolarHBondContact O-N 3.11Å; Y385-S396 VanDerWaalsContact CD2-C 3.44Å; Y385-E397 HydrophobicContact CD1-CB 3.73Å; Y385-E397 HydrophobicContact CD1-CG 3.76Å; Y385-E397 HydrophobicContact CD2-CB 4.27Å; Y385-E397 HydrophobicContact CE1-CB 3.34Å; Y385-E397 HydrophobicContact CE1-CG 3.36Å; Y385-E397 WeakPolarHBondContact CE1-OE2 3.43Å; Y385-E397 HydrophobicContact CE2-CB 3.93Å; Y385-E397 HydrophobicContact CG-CB 4.17Å; Y385-E397 VanDerWaalsContact CZ-CB 3.43Å; Y385-E397 VanDerWaalsContact CZ-OE2 3.29Å; Y385-E397 PolarHBondContact OH-OE2 3.5Å; Y385-L400 HydrophobicContact CD1-CD2 4.07Å; Y385-L400 HydrophobicContact CG-CD2 4.44Å
386C61.9Low62.6Low65 Ų6579.1 Ų79.144%0.43944%0.444SS..EExtended strand (participates in β ladder)trans-94.2127.6178-67.50000109.7A384 S388 R392A384-C386 VanDerWaalsContact C-N 3.27Å; A384-C386 PolarHBondContact O-N 3.34Å; C386-S388 PolarHBondContact O-N 3.3Å; C386-R392 WeakPolarHBondContact CA-O 3.35Å
387C68.5Low62.4Low1 Ų183 Ų831%0.00746%0.458CS..  trans-62.1114.9168161.10000109.6M389 C390 G391 R392 Y394 L400 H403 M404 H407C387-M389 VanDerWaalsContact C-N 3.26Å; C387-M389 PolarHBondContact O-N 2.76Å; C387-C390 HydrophobicContact CB-CB 4.47Å; C387-C390 WeakPolarHBondContact CB-SG 3.34Å; C387-C390 PolarHBondContact O-N 3.24Å; C387-C390 WeakPolarHBondContact SG-CB 3.4Å; C387-C390 PolarHBondContact SG-N 3.32Å; C387-C390 CovalentContact SG-SG 2.07Å; C387-C390 PolarHBondContact SG-SG 2.9Å; C387-G391 WeakPolarHBondContact O-CA 3.22Å; C387-G391 PolarHBondContact O-N 2.78Å; C387-R392 HydrophobicContact CB-CB 4.42Å; C387-R392 PolarHBondContact N-O 3.39Å; C387-Y394 HydrophobicContact CB-CE2 4.17Å; C387-L400 HydrophobicContact CB-CD1 3.86Å; C387-H403 PolarHBondContact SG-NE2 2.88Å; C387-H403 VanDerWaalsContact SG-NE2 3.38Å; C387-M404 HydrophobicContact CB-CE 4.25Å; C387-H407 PolarHBondContact SG-NE2 3.07Å
388S62.4Low62.7Low105 Ų10584.2 Ų84.273%0.73447%0.47SS*.THydrogen-bonded Turntrans-60.3-36.3179.249.20000112.7C386C386-S388 PolarHBondContact O-N 3.3Å
389M61.8Low63.2Low137 Ų13787 Ų8768%0.67547%0.465SS*.THydrogen-bonded Turntrans-77.2-25.7-175-58.4-55.2-73.600114.4C387 H407C387-M389 VanDerWaalsContact C-N 3.26Å; C387-M389 PolarHBondContact O-N 2.76Å; M389-H407 HydrophobicContact CB-CB 4.25Å; M389-H407 HydrophobicContact CG-CB 4.09Å
390C72Confident63.8Low35 Ų3583.3 Ų83.324%0.23645%0.446CS..THydrogen-bonded Turntrans-134.1-9.3-170.270.30000113.6R362 C387 R392 H403 H407R362-C390 PolarHBondContact NH2-O 2.8Å; C387-C390 HydrophobicContact CB-CB 4.47Å; C387-C390 WeakPolarHBondContact CB-SG 3.34Å; C387-C390 PolarHBondContact O-N 3.24Å; C387-C390 WeakPolarHBondContact SG-CB 3.4Å; C387-C390 PolarHBondContact SG-N 3.32Å; C387-C390 CovalentContact SG-SG 2.07Å; C387-C390 PolarHBondContact SG-SG 2.9Å; C390-R392 PolarHBondContact O-N 3.32Å; C390-R392 VanDerWaalsContact O-N 3.12Å; C390-H403 PolarHBondContact SG-NE2 3.09Å; C390-H407 PolarHBondContact SG-NE2 3.17Å
391G61.5Low64.6Low19 Ų1980.3 Ų80.320%0.19644%0.437CS..  trans52.225.9-176.300000115.3R362 C387 A393R362-G391 VanDerWaalsContact NH1-C 3.34Å; R362-G391 PolarHBondContact NH1-O 3.24Å; R362-G391 PolarHBondContact NH2-O 3.24Å; C387-G391 WeakPolarHBondContact O-CA 3.22Å; C387-G391 PolarHBondContact O-N 2.78Å; G391-A393 PolarHBondContact O-N 3.21Å
392R63.2Low66.1Low144 Ų14479.7 Ų79.754%0.54343%0.426SS..  trans-68.4129166.8-70.9-178.4-176.7175.13.9108.4C386 C387 C390 Y394C386-R392 WeakPolarHBondContact CA-O 3.35Å; C387-R392 HydrophobicContact CB-CB 4.42Å; C387-R392 PolarHBondContact N-O 3.39Å; C390-R392 PolarHBondContact O-N 3.32Å; C390-R392 VanDerWaalsContact O-N 3.12Å; R392-Y394 HydrophobicContact CB-CE2 3.64Å; R392-Y394 WeakPolarHBondContact CD-OH 3.41Å; R392-Y394 WeakPolarHBondContact O-CD2 3.47Å; R392-Y394 WeakPolarHBondContact O-CE2 3.29Å
393A64.5Low67.4Low39 Ų3977.9 Ų77.932%0.32241%0.409SS..EExtended strand (participates in β ladder)trans-90.3136.2175.500000109.4A376 G391A376-A393 HydrophobicContact CB-CB 4.49Å; G391-A393 PolarHBondContact O-N 3.21Å
394Y70.1Confident68.1Low46 Ų4672.3 Ų72.318%0.1839%0.386CS..EExtended strand (participates in β ladder)trans-119.1148.7177.6-63.4-87.5000109.7Y385 C387 R392 S396 L400 H403Y385-Y394 PolarHBondContact O-N 3.11Å; C387-Y394 HydrophobicContact CB-CE2 4.17Å; R392-Y394 HydrophobicContact CB-CE2 3.64Å; R392-Y394 WeakPolarHBondContact CD-OH 3.41Å; R392-Y394 WeakPolarHBondContact O-CD2 3.47Å; R392-Y394 WeakPolarHBondContact O-CE2 3.29Å; Y394-S396 PolarHBondContact O-N 3.48Å; Y394-L400 HydrophobicContact CD2-CB 4.1Å; Y394-L400 HydrophobicContact CD2-CD1 3.5Å; Y394-L400 HydrophobicContact CD2-CG 4.46Å; Y394-L400 HydrophobicContact CE2-CD1 3.8Å; Y394-L400 HydrophobicContact CG-CB 4.35Å; Y394-H403 HydrophobicContact CE1-CB 4.14Å; Y394-H403 HydrophobicContact CE2-CB 4.1Å; Y394-H403 AromaticContact CE2-CD2 3.59Å; Y394-H403 AromaticContact CE2-CG 3.9Å; Y394-H403 AromaticContact CZ-CD2 3.59Å; Y394-H403 AromaticContact CZ-CG 3.46Å; Y394-H403 VanDerWaalsContact CZ-CG 3.46Å; Y394-H403 AromaticContact CZ-ND1 3.99Å; Y394-H403 PolarHBondContact OH-CD2 3.44Å; Y394-H403 PolarHBondContact OH-CE1 2.75Å; Y394-H403 PolarHBondContact OH-ND1 3.44Å; Y394-H403 PolarHBondContact OH-NE2 2.99Å
395T64.6Low69.1Low105 Ų10573.7 Ų73.764%0.64439%0.39SS*.SBendtrans-75.3-7.8177.651.90000112.8
396S64.8Low69.5Low34 Ų3478.9 Ų78.924%0.23841%0.414CS..SBendtrans-158.4150.5-178139.70000112Y385 Y394 T398 Y399 L400Y385-S396 VanDerWaalsContact CD2-C 3.44Å; Y394-S396 PolarHBondContact O-N 3.48Å; S396-T398 VanDerWaalsContact C-N 3.29Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 3.27Å; S396-T398 VanDerWaalsContact OG-N 3.1Å; S396-T398 PolarHBondContact OG-OG1 3.24Å; S396-Y399 PolarHBondContact O-N 3.21Å; S396-L400 PolarHBondContact O-N 3.29Å
397E66.1Low69.9Low102 Ų10278.8 Ų78.848%0.47741%0.407SS..Hα-helixtrans-57.5-38.8174.7-159157.2179.600112.4Y385 Y399 L400 M401Y385-E397 HydrophobicContact CD1-CB 3.73Å; Y385-E397 HydrophobicContact CD1-CG 3.76Å; Y385-E397 HydrophobicContact CD2-CB 4.27Å; Y385-E397 HydrophobicContact CE1-CB 3.34Å; Y385-E397 HydrophobicContact CE1-CG 3.36Å; Y385-E397 WeakPolarHBondContact CE1-OE2 3.43Å; Y385-E397 HydrophobicContact CE2-CB 3.93Å; Y385-E397 HydrophobicContact CG-CB 4.17Å; Y385-E397 VanDerWaalsContact CZ-CB 3.43Å; Y385-E397 VanDerWaalsContact CZ-OE2 3.29Å; Y385-E397 PolarHBondContact OH-OE2 3.5Å; E397-Y399 VanDerWaalsContact C-N 3.28Å; E397-Y399 PolarHBondContact O-N 2.92Å; E397-L400 CarbonylContact O-C 3.52Å; E397-L400 WeakPolarHBondContact O-CB 3.37Å; E397-L400 PolarHBondContact O-N 3.38Å; E397-L400 VanDerWaalsContact O-N 3.13Å; E397-M401 HydrophobicContact CG-CG 4.35Å; E397-M401 VanDerWaalsContact O-CG 3.29Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.17Å
398T74.6Confident69.8Low85 Ų8582.6 Ų82.652%0.52144%0.438SS..Hα-helixtrans-67.1-33-176.762.10000111.7S396 K402S396-T398 VanDerWaalsContact C-N 3.29Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 3.27Å; S396-T398 VanDerWaalsContact OG-N 3.1Å; S396-T398 PolarHBondContact OG-OG1 3.24Å; T398-K402 WeakPolarHBondContact O-CG 3.5Å; T398-K402 PolarHBondContact O-N 2.84Å
399Y76.6Confident68.8Low137 Ų13786 Ų8654%0.53745%0.445SS..Hα-helixtrans-74.8-34.4173.4-78.4-79.2000112.4S396 E397 H403S396-Y399 PolarHBondContact O-N 3.21Å; E397-Y399 VanDerWaalsContact C-N 3.28Å; E397-Y399 PolarHBondContact O-N 2.92Å; Y399-H403 WeakPolarHBondContact O-CB 3.43Å; Y399-H403 PolarHBondContact O-N 3.28Å
400L76Confident67.8Low18 Ų1886.2 Ų86.29%0.09445%0.453CS..Hα-helixtrans-62.9-46.5170.6-17970.4000110.9Y385 C387 Y394 S396 E397 K402 H403 M404Y385-L400 HydrophobicContact CD1-CD2 4.07Å; Y385-L400 HydrophobicContact CG-CD2 4.44Å; C387-L400 HydrophobicContact CB-CD1 3.86Å; Y394-L400 HydrophobicContact CD2-CB 4.1Å; Y394-L400 HydrophobicContact CD2-CD1 3.5Å; Y394-L400 HydrophobicContact CD2-CG 4.46Å; Y394-L400 HydrophobicContact CE2-CD1 3.8Å; Y394-L400 HydrophobicContact CG-CB 4.35Å; S396-L400 PolarHBondContact O-N 3.29Å; E397-L400 CarbonylContact O-C 3.52Å; E397-L400 WeakPolarHBondContact O-CB 3.37Å; E397-L400 PolarHBondContact O-N 3.38Å; E397-L400 VanDerWaalsContact O-N 3.13Å; L400-K402 PolarHBondContact O-N 3.43Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CA 3.41Å; L400-H403 VanDerWaalsContact O-CB 3.28Å; L400-H403 WeakPolarHBondContact O-CB 3.41Å; L400-H403 PolarHBondContact O-N 3.26Å; L400-M404 HydrophobicContact CD1-CE 3.39Å; L400-M404 HydrophobicContact CD2-CE 3.95Å; L400-M404 HydrophobicContact CG-CE 3.59Å; L400-M404 WeakPolarHBondContact O-CG 3.46Å; L400-M404 PolarHBondContact O-N 2.86Å
401M72.4Confident66Low119 Ų11993 Ų9359%0.58648%0.481SS*.Hα-helixtrans-65.8-35.1179.9-68.3-59.1-80.600112.5E397 H403 M404 P405E397-M401 HydrophobicContact CG-CG 4.35Å; E397-M401 VanDerWaalsContact O-CG 3.29Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.17Å; M401-H403 PolarHBondContact O-N 3.03Å; M401-M404 PolarHBondContact O-N 3.21Å; M401-P405 WeakPolarHBondContact O-CD 3.49Å
402K79.2Confident64.6Low154 Ų154100.2 Ų100.267%0.6751%0.51SS*.Hα-helixtrans-66.9-22.1169.2-74.3177.9-178.5-177.60113.3T398 L400T398-K402 WeakPolarHBondContact O-CG 3.5Å; T398-K402 PolarHBondContact O-N 2.84Å; L400-K402 PolarHBondContact O-N 3.43Å
403H77.7Confident63.2Low9 Ų999 Ų994%0.04252%0.518CS..Hα-helixtrans-88-32.1178.617467.6000113.2C387 C390 Y394 Y399 L400 M401 P405 K406 H407C387-H403 PolarHBondContact SG-NE2 2.88Å; C387-H403 VanDerWaalsContact SG-NE2 3.38Å; C390-H403 PolarHBondContact SG-NE2 3.09Å; Y394-H403 HydrophobicContact CE1-CB 4.14Å; Y394-H403 HydrophobicContact CE2-CB 4.1Å; Y394-H403 AromaticContact CE2-CD2 3.59Å; Y394-H403 AromaticContact CE2-CG 3.9Å; Y394-H403 AromaticContact CZ-CD2 3.59Å; Y394-H403 AromaticContact CZ-CG 3.46Å; Y394-H403 VanDerWaalsContact CZ-CG 3.46Å; Y394-H403 AromaticContact CZ-ND1 3.99Å; Y394-H403 PolarHBondContact OH-CD2 3.44Å; Y394-H403 PolarHBondContact OH-CE1 2.75Å; Y394-H403 PolarHBondContact OH-ND1 3.44Å; Y394-H403 PolarHBondContact OH-NE2 2.99Å; Y399-H403 WeakPolarHBondContact O-CB 3.43Å; Y399-H403 PolarHBondContact O-N 3.28Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CA 3.41Å; L400-H403 VanDerWaalsContact O-CB 3.28Å; L400-H403 WeakPolarHBondContact O-CB 3.41Å; L400-H403 PolarHBondContact O-N 3.26Å; M401-H403 PolarHBondContact O-N 3.03Å; H403-P405 VanDerWaalsContact C-CD 3.46Å; H403-K406 VanDerWaalsContact O-CB 3.28Å; H403-K406 WeakPolarHBondContact O-CB 3.49Å; H403-K406 WeakPolarHBondContact O-CG 3.42Å; H403-K406 PolarHBondContact O-N 3.45Å; H403-H407 AromaticContact CD2-NE2 3.72Å; H403-H407 AromaticContact CE1-NE2 3.57Å; H403-H407 AromaticContact NE2-CD2 3.92Å; H403-H407 AromaticContact NE2-CE1 3.97Å; H403-H407 AromaticContact NE2-NE2 3.01Å; H403-H407 PolarHBondContact NE2-NE2 2.77Å
404M68.2Low61.8Low53 Ų53106 Ų10626%0.26155%0.546SS..G310 helixtrans-54.3-38.9-177.6-74.9-6316400115.6C387 L400 M401 K406 H407C387-M404 HydrophobicContact CB-CE 4.25Å; L400-M404 HydrophobicContact CD1-CE 3.39Å; L400-M404 HydrophobicContact CD2-CE 3.95Å; L400-M404 HydrophobicContact CG-CE 3.59Å; L400-M404 WeakPolarHBondContact O-CG 3.46Å; L400-M404 PolarHBondContact O-N 2.86Å; M401-M404 PolarHBondContact O-N 3.21Å; M404-K406 PolarHBondContact O-N 3.44Å; M404-H407 PolarHBondContact O-N 3.4Å
405P80.1Confident59.9Low92 Ų92108.6 Ų108.660%0.59757%0.571SS**G310 helixtrans-60.6-16.3176.9-26.233.9000114.3M401 H403 H407 A408M401-P405 WeakPolarHBondContact O-CD 3.49Å; H403-P405 VanDerWaalsContact C-CD 3.46Å; P405-H407 PolarHBondContact O-N 3.04Å; P405-A408 PolarHBondContact O-N 2.93Å
406K73.3Confident58.5Low157 Ų157111.9 Ų111.968%0.68358%0.579SS**G310 helixtrans-74.1-9.6174.7-57.1-174-179-174.70113H403 M404H403-K406 VanDerWaalsContact O-CB 3.28Å; H403-K406 WeakPolarHBondContact O-CB 3.49Å; H403-K406 WeakPolarHBondContact O-CG 3.42Å; H403-K406 PolarHBondContact O-N 3.45Å; M404-K406 PolarHBondContact O-N 3.44Å
407H71.6Confident56.8Low64 Ų64119.2 Ų119.230%0.29661%0.609SS.*G310 helixtrans-108.30.4173.8-56.7-64.6000112.5C387 M389 C390 H403 M404 P405 M409C387-H407 PolarHBondContact SG-NE2 3.07Å; M389-H407 HydrophobicContact CB-CB 4.25Å; M389-H407 HydrophobicContact CG-CB 4.09Å; C390-H407 PolarHBondContact SG-NE2 3.17Å; H403-H407 AromaticContact CD2-NE2 3.72Å; H403-H407 AromaticContact CE1-NE2 3.57Å; H403-H407 AromaticContact NE2-CD2 3.92Å; H403-H407 AromaticContact NE2-CE1 3.97Å; H403-H407 AromaticContact NE2-NE2 3.01Å; H403-H407 PolarHBondContact NE2-NE2 2.77Å; M404-H407 PolarHBondContact O-N 3.4Å; P405-H407 PolarHBondContact O-N 3.04Å; H407-M409 VanDerWaalsContact C-N 3.29Å; H407-M409 PolarHBondContact O-N 3.05Å
408A64.7Low54.9Low80 Ų80119.5 Ų119.566%0.66162%0.622SS**  trans-78.179.2-178.500000110.9P405P405-A408 PolarHBondContact O-N 2.93Å
409M43.2Very low52.9Low178 Ų178121.2 Ų121.288%0.87764%0.635SS**  trans-128.4118.8146.3-76.2-166.4168.700107.8H407H407-M409 VanDerWaalsContact C-N 3.29Å; H407-M409 PolarHBondContact O-N 3.05Å
410V40.4Very low50.7Low141 Ų141123.7 Ų123.786%0.85565%0.651SS**SBendtrans8594.9168.8-163.10000118
411E33.4Very low48.5Very low177 Ų177129.9 Ų129.983%0.82768%0.684SS**  trans29.2130.1140.3-65.6-144.114300125.4
412H32.9Very low46.5Very low171 Ų171135.7 Ų135.779%0.79270%0.7SS**  58.9107.3128.7-135.490.9000120.2
413V33.3Very low44.4Very low117 Ų117134.9 Ų134.971%0.70971%0.708SS**  161.6101.8121.81680000105.7
414M34.3Very low42.1Very low187 Ų187137.8 Ų137.892%0.92174%0.74SS**  trans-126.694.8150.8-78.1-160.681.700107.3
415S30.7Very low40.5Very low101 Ų101141.2 Ų141.271%0.70677%0.769SS**  trans-53.1134.2164-163.80000109.2H417S415-H417 PolarHBondContact O-N 3.25Å
416H35Very low38.6Very low174 Ų174142.2 Ų142.281%0.80678%0.776SS**  trans-57.7127.3173.4-70.1-93.3000110.4
417H28.7Very low36.5Very low188 Ų188142.3 Ų142.387%0.8778%0.784SS**  trans-143.3106.1143.9-97.4-71.4000110.1S415S415-H417 PolarHBondContact O-N 3.25Å
418S25.9Very low34.7Very low107 Ų107145.9 Ų145.975%0.74880%0.804SS**  trans-72.9142.1164.4-156.20000108.9Q420S418-Q420 PolarHBondContact O-N 2.87Å
419P32.8Very low33.5Very low122 Ų122147.6 Ų147.679%0.79281%0.808SS**  trans-86.2115.6-176.532.1-28.7000110.4
420Q30.8Very low32.8Very low189 Ų189145.4 Ų145.488%0.88380%0.799SS**  trans-103.3108.9157.8-72.5-157.913.600109.7S418S418-Q420 PolarHBondContact O-N 2.87Å
421N30.4Very low32.4Very low147 Ų147149.6 Ų149.679%0.78680%0.799SS**  trans4.6119141.2-136.2-0.1000116.1
422R30.7Very low32.2Very low242 Ų242148 Ų14891%0.91380%0.795SS**  -171.8129.2129.6-102.3164.8-168.2-155.33.6111.6
423T35.2Very low32.2Very low136 Ų136144.9 Ų144.983%0.83479%0.792SS**  trans-50.8140.2165.949.40000112.8
424G28Very low32.2Very low70 Ų70146.6 Ų146.672%0.72280%0.797SS**  trans162.6103.116600000111.8
425S34.3Very low32.3Very low125 Ų125148.7 Ų148.787%0.87481%0.809SS**  trans-46.9147.1168.5-50.90000111.9
426P41.3Very low32.3Very low114 Ų114151.1 Ų151.174%0.7481%0.814SS**  -145.5145.5104.324.7-3000112.5
427N29Very low32.2Very low158 Ų158149.8 Ų149.885%0.84582%0.815SS**  62.2112.682.4-127.7-21.2000113.4
428I34.4Very low32.4Very low139 Ų139147.7 Ų147.771%0.71381%0.811SS**  trans-68.7140.3173.2-65.2159.2000108.7I430I428-I430 HydrophobicContact CG2-CD1 4.3Å; I428-I430 HydrophobicContact CG2-CG1 3.82Å
429P38Very low32.8Very low116 Ų116150.1 Ų150.175%0.75382%0.815SS**  -138.7128.410722.9-2.5000111.4
430I29.6Very low32.8Very low133 Ų133151.9 Ų151.968%0.68282%0.817SS**  55.7113.783.9-66175.8000113.9I428I428-I430 HydrophobicContact CG2-CD1 4.3Å; I428-I430 HydrophobicContact CG2-CG1 3.82Å
431R30.8Very low32.9Very low229 Ų229149.4 Ų149.486%0.86481%0.812SS**  trans73.2142.1149.2-93.6-174.5-177.6-159.32.1115.6
432I30.8Very low33.1Very low143 Ų143149.6 Ų149.673%0.73381%0.814SS**  cis-154.2140.834.2-67.9-179000108.5
433S31.9Very low33.3Very low106 Ų106142.5 Ų142.574%0.74181%0.806SS**  trans-65.2142.9163.9-38.20000111.3
434L33.6Very low33.1Very low153 Ų153143 Ų14380%0.80180%0.804SS**  trans-170.8118.9139.4-100155.3000110.2
435I35.9Very low33.6Very low230 Ų230149.6 Ų149.6100%1.17981%0.812SS**  trans75.50155.3-45.9176.1000117

Retrieved 435 of 435 residues in 71.3 ms (Link to these results)