A0A096MRF8_PAPAN Loading...

Suppressor of cytokine signaling 4

AlphaFold DB , UniProt , Accession A0A096MRF8, Species PAPAN (Papio anubis, Olive baboon), Gene SOCS4, Length 440 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
1M32.2Very low32.2Very low245 Ų245148.9 Ų148.9100%1.20779%0.787SS**  0137.20-73.3174.1164.700107.3
2A34.8Very low32.2Very low95 Ų95146.7 Ų146.779%0.78578%0.783SS**  trans54.9129.1178.600000116.1
3E36.8Very low31.9Very low169 Ų169146.4 Ų146.479%0.7978%0.781SS**  cis102.8116.627.8-76-162.7109.100115.2
4N32.8Very low32.1Very low128 Ų128145.3 Ų145.368%0.68478%0.782SS**  trans65.6129.8136.4-58.3-23.5000123.8
5N32.5Very low32.1Very low136 Ų136151.4 Ų151.473%0.72779%0.79SS**  trans90.1132.2135.5-83.713.1000123.5
6E33.4Very low33.3Very low163 Ų163148.1 Ų148.176%0.76278%0.78SS**  trans48.4125.7146.8-60.7-168.8110.600120.7
7N30.9Very low32.9Very low172 Ų172150.7 Ų150.792%0.9278%0.784SS**  -153.3169.2115.7-116.3-73.8000113.4
8N27.4Very low32.8Very low137 Ų137149.9 Ų149.973%0.73379%0.787SS**  trans-133.6157.7-161.7-171.5-12.2000111.7
9S31.4Very low32.6Very low74 Ų74148.2 Ų148.252%0.51779%0.788SS.*  trans104.8129139.189.10000121.1
10K33.4Very low32.5Very low179 Ų179153.4 Ų153.478%0.77880%0.796SS**  trans72.9150.6136.8-67.4161.5-165.2162.80117.2
11N29Very low32.6Very low140 Ų140151.2 Ų151.275%0.74979%0.794SS**  cis-164.1-178.35.6-136.4-11000112.7
12V31.3Very low32.7Very low122 Ų122151.6 Ų151.674%0.73978%0.782SS**  trans73.4136.6156.7171.60000115.9
13D29.4Very low32.6Very low143 Ų143152.8 Ų152.877%0.76579%0.785SS**  cis-145.8161-3-141.3-30000112.7
14V34.8Very low32.6Very low131 Ų131149.4 Ų149.479%0.79479%0.786SS**  trans-152.4121173.7176.70000112.3
15R31.9Very low32.7Very low237 Ų237149.6 Ų149.689%0.89479%0.787SS**  trans-164167.3154.4-102.4-131.9136.8113-4.6114.7
16P50.1Low32.9Very low98 Ų98153.1 Ų153.164%0.63679%0.79SS**  trans-134-168.7-13947.3-33.5000115.7
17K28.1Very low33.3Very low193 Ų193153.3 Ų153.384%0.83979%0.789SS**  trans-177.9155.2159-99.3142.1-173.5177.60109.4
18T29.5Very low33.6Very low137 Ų137152.1 Ų152.184%0.8478%0.782SS**  cis-159.7168-18.28.50000109.2
19S30.3Very low33.8Very low117 Ų117149 Ų14982%0.81878%0.782SS**  trans-99.2167.8-17555.40000115.3
20R30.6Very low33.9Very low251 Ų251155.2 Ų155.295%0.94780%0.796SS**  trans-145.2146.2158.2-157.6172.5-169.3172.54.2110
21S34.4Very low34Very low108 Ų108153 Ų15376%0.75580%0.797SS**  trans-140.5159.7-16251.50000114
22R33.4Very low34.2Very low253 Ų253156 Ų15696%0.95580%0.798SS**  trans-147.4158.6159.1-78.4-160167.4173.9-2.7110.5
23S33.7Very low34.2Very low121 Ų121155.2 Ų155.285%0.84680%0.798SS**  trans-161.2150.6-163.153.20000113.3
24A37.4Very low34.3Very low98 Ų98151.9 Ų151.981%0.8180%0.797SS**  trans-149.397.6158.800000107.1
25D33.1Very low34.1Very low132 Ų132154.8 Ų154.871%0.70680%0.799SS**  70.457.983.8-155.421000114.3
26R38.5Very low34.3Very low210 Ų210153.4 Ų153.479%0.79280%0.8SS**  trans-91.7125.4147.5-87.3-178.2155126.13.7107.3E316R26-E316 IonicContact CZ-OE1 2.62Å; R26-E316 IonicContact NH1-OE1 2.7Å; R26-E316 PolarHBondContact NH1-OE1 3.49Å; R26-E316 VanDerWaalsContact NH1-OE1 3.09Å; R26-E316 IonicContact NH2-OE1 2.71Å; R26-E316 PolarHBondContact NH2-OE1 3.02Å
27K40.3Very low33.4Very low167 Ų167156.9 Ų156.973%0.72681%0.812SS**  trans-124.788.4-157-170.3177.1-173.7165.80113.6
28D37.1Very low33.4Very low146 Ų146153.1 Ų153.178%0.78181%0.81SS**  trans-164.679.7148.4-96.8-25.6000109.7
29G31.3Very low33.1Very low72 Ų72158.4 Ų158.474%0.74282%0.815SS**  trans-94.199.5-17700000113.2V31G29-V31 PolarHBondContact O-N 2.88Å; G29-V31 VanDerWaalsContact O-N 3.1Å
30Y35.1Very low33.1Very low205 Ų205158.3 Ų158.380%0.80481%0.814SS**  trans-7887.6171.4-77.1-87.1000111.5W32Y30-W32 PolarHBondContact O-N 3.33Å
31V34.3Very low33Very low132 Ų132156 Ų15680%0.881%0.811SS**  trans-71.8107.4178.5-178.90000111G29 S33G29-V31 PolarHBondContact O-N 2.88Å; G29-V31 VanDerWaalsContact O-N 3.1Å; V31-S33 PolarHBondContact O-N 3.48Å
32W33.2Very low32.8Very low203 Ų203158.5 Ų158.577%0.76981%0.808SS**  trans-70.9113.8170.7-92.755.2000111.2Y30 G34 F385Y30-W32 PolarHBondContact O-N 3.33Å; W32-G34 PolarHBondContact O-N 2.76Å; W32-F385 HydrophobicContact CZ2-CB 4.23Å
33S32.8Very low32.5Very low106 Ų106151.4 Ų151.474%0.74180%0.798SS**  trans-86.993.5174.158.70000111.2V31 K35V31-S33 PolarHBondContact O-N 3.48Å; S33-K35 PolarHBondContact O-N 2.95Å
34G30.7Very low32.2Very low72 Ų72152.9 Ų152.974%0.74279%0.791SS**  trans-68.681.8178.700000113.7W32 K36W32-G34 PolarHBondContact O-N 2.76Å; G34-K36 PolarHBondContact O-N 3.37Å; G34-K36 VanDerWaalsContact O-N 3.09Å
35K30.3Very low31.7Very low193 Ų193153.6 Ų153.684%0.83979%0.79SS**  trans-68.4101.9168.1-83.1-173.1174.8-179.70110.2S33 L37S33-K35 PolarHBondContact O-N 2.95Å; K35-L37 PolarHBondContact O-N 3.22Å
36K35.9Very low31.3Very low207 Ų207158.7 Ų158.790%0.980%0.801SS**PPolyproline II helixtrans-65.8118168.4-62.7-177.4179.8-176.30109.3G34G34-K36 PolarHBondContact O-N 3.37Å; G34-K36 VanDerWaalsContact O-N 3.09Å
37L31.1Very low30.9Very low171 Ų171153.7 Ų153.790%0.89580%0.798SS**PPolyproline II helixtrans-96.5117.6162.4-73.5172.5000108.3K35K35-L37 PolarHBondContact O-N 3.22Å
38S27.7Very low30.4Very low114 Ų114153.3 Ų153.380%0.79780%0.804SS**PPolyproline II helixtrans-76.1138.3176.8480000111.1S40S38-S40 PolarHBondContact O-N 3.3Å
39W24.2Very low30.2Very low248 Ų248151.2 Ų151.294%0.93981%0.807SS**PPolyproline II helixtrans-59.3134.8168-73.4-25.9000111.8
40S29.3Very low30.2Very low115 Ų115156.2 Ų156.280%0.80481%0.811SS**  trans-114.2112.4153.755.70000108.3S38 K42S38-S40 PolarHBondContact O-N 3.3Å; S40-K42 PolarHBondContact O-N 3.46Å
41K29.4Very low30.1Very low204 Ų204152.9 Ų152.989%0.88781%0.812SS**  trans-69.3128.9169.9-68.6-177.8177.5-177.80108.7
42K29.5Very low30Very low159 Ų159152.2 Ų152.269%0.69181%0.808SS**  trans-116.6126.3156.7-166.4-170.6175.4-145.40107.8S40 E44S40-K42 PolarHBondContact O-N 3.46Å; K42-E44 VanDerWaalsContact CE-OE1 3.27Å; K42-E44 WeakPolarHBondContact CE-OE1 3.32Å; K42-E44 IonicContact NZ-OE1 2.6Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å; K42-E44 IonicContact NZ-OE2 3.83Å; K42-E44 PolarHBondContact NZ-OE2 3.13Å
43S26.7Very low29.9Very low105 Ų105150 Ų15073%0.73481%0.812SS**  trans-87.6133.6173.350.50000110.2
44E28Very low29.7Very low152 Ų152148.2 Ų148.271%0.7181%0.81SS**  trans-145.7118.3160.4-120.5127.9-143.900107K42K42-E44 VanDerWaalsContact CE-OE1 3.27Å; K42-E44 WeakPolarHBondContact CE-OE1 3.32Å; K42-E44 IonicContact NZ-OE1 2.6Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å; K42-E44 IonicContact NZ-OE2 3.83Å; K42-E44 PolarHBondContact NZ-OE2 3.13Å
45S26.6Very low29.8Very low113 Ų113152.2 Ų152.279%0.7981%0.813SS**  trans-95.7141.5178.9-55.50000109.5
46Y25.9Very low29.8Very low239 Ų239151.5 Ų151.594%0.93781%0.812SS**  trans-142.6145.3159.8-119-87.6000109.6
47S29.6Very low29.6Very low104 Ų104150.2 Ų150.273%0.72781%0.807SS**  trans-123162.2-176.9560000111.1
48D28.8Very low29.6Very low159 Ų159148.5 Ų148.585%0.8580%0.803SS**  trans-66.8159.1-168.6-50.9-87.4000115.8
49A34.1Very low29.7Very low103 Ų103151.5 Ų151.585%0.85181%0.805SS**  trans-148.5135.2149.700000109.1
50E31.9Very low30Very low177 Ų177146.3 Ų146.383%0.82780%0.8SS**  trans-92.3-172-173.7-58.5177.898.800113.5
51T32.9Very low29.9Very low134 Ų134146.5 Ų146.582%0.82280%0.802SS**  trans103.2144.2158.869.70000119
52V31.3Very low30.1Very low119 Ų119144.3 Ų144.372%0.72180%0.799SS**  cis-172.7150.3-38.6118.90000110.5
53N30.2Very low30.2Very low156 Ų156148.8 Ų148.883%0.83481%0.811SS**  trans71.1150.9162.9-73.9-12.9000123.7
54G29.5Very low30.3Very low68 Ų68151.7 Ų151.770%0.70182%0.819SS**  trans10778.7163.200000115.6
55I32.4Very low30.5Very low157 Ų157155.2 Ų155.281%0.80583%0.825SS**  51.8101.173.6-52.2178.7000113.8
56E30.3Very low30.7Very low177 Ų177157.5 Ų157.583%0.82782%0.824SS**  -164.6-161.393.2-158.9148-137.100110.9
57K32.3Very low31Very low181 Ų181157.1 Ų157.179%0.78782%0.82SS**  trans-121.8161.7-159-55.6161.5-176.3162.50112.6
58T30.8Very low31.4Very low134 Ų134161.2 Ų161.282%0.82283%0.825SS**  168165.7123.6-68.40000111.8
59E29.5Very low31.4Very low178 Ų178161.7 Ų161.783%0.83282%0.822SS**  trans-64.5157.6-150-62.217211600122.2
60V31Very low31.3Very low138 Ų138161.9 Ų161.984%0.83682%0.817SS**  trans-36136.2159.1172.90000116.8
61S28.1Very low30.9Very low120 Ų120159.6 Ų159.684%0.83982%0.819SS**  -163.7164.6124.8-155.90000113.6
62L32.5Very low30.7Very low158 Ų158158.2 Ų158.283%0.82782%0.815SS**  trans-99.8137.2-169.3-67.2161.8000113.5
63R31Very low30.7Very low252 Ų252158.7 Ų158.795%0.95182%0.823SS**  -175150.6123.9-106.6174.6177.9-153.3-2.2114.9
64N30.6Very low30.9Very low167 Ų167158.7 Ų158.789%0.89382%0.822SS**  trans-65.8140.5172.6-71.6-42.8000113
65R31.1Very low31.2Very low226 Ų226164.3 Ų164.385%0.85383%0.83SS**  -158.1151.9124-158.2159.9-177.9179.1-2.1112.7
66E31.8Very low31.3Very low161 Ų161164.8 Ų164.875%0.75283%0.833SS**  trans-61.2151-172.7-48.1125.3111.400114.2
67R32.3Very low31.5Very low230 Ų230164 Ų16487%0.86884%0.835SS**  trans-130.6142.3159.5-68.1-170.5-174.8128.71.9110.6
68K37.4Very low31.5Very low190 Ų190163.6 Ų163.683%0.82684%0.84SS**  trans-104.6118.7177.4-59.7171.8-178.1175.80109.9
69H27.8Very low31.8Very low169 Ų169163.3 Ų163.378%0.78283%0.834SS**  trans-143.5129154.7-62.3-73.8000106.2
70S31.7Very low32.2Very low107 Ų107164 Ų16475%0.74884%0.837SS**  cis79.480.945.2-57.70000113.4
71C24.4Very low32.6Very low130 Ų130163 Ų16388%0.87884%0.836SS**  trans-164.9152.4157.7-910000107.2
72S28.8Very low33Very low105 Ų105163.2 Ų163.273%0.73484%0.836SS**  cis-162.2135.3-25.548.10000107.1
73S31.1Very low33Very low128 Ų128158.6 Ų158.690%0.89583%0.826SS**  trans-75.4137178.8-58.60000111.5
74I34Very low33.8Very low157 Ų157155.1 Ų155.181%0.80582%0.82SS**  trans-136.7115.8160.9-173.8166.9000108.3
75E35.5Very low34.7Very low185 Ų185157.7 Ų157.786%0.86482%0.818SS**  trans-92.2135.1170.4-73.9178.113400109.1
76L34.6Very low35.7Very low168 Ų168153.5 Ų153.588%0.8881%0.806SS**  trans-142.2128.2151.3-76.6-178.2000107.5
77D34.9Very low36.8Very low161 Ų161154 Ų15486%0.86181%0.813SS**  trans-68.1151.4-172.9-87.1-57.4000114.3
78L33.2Very low37.9Very low171 Ų171147 Ų14790%0.89581%0.812SS**  trans-153.2126.3144.6-115.9156.4000110.9
79D36.9Very low39.5Very low129 Ų129142.6 Ų142.669%0.6979%0.79SS**  trans-62.9136.1-162.7-139.7-41.8000114.8
80H37.4Very low42Very low192 Ų192137.9 Ų137.989%0.88978%0.776SS**  trans-154.498.7155.6-104.5-64000111.9C82H80-C82 PolarHBondContact O-N 3.27Å; H80-C82 VanDerWaalsContact O-N 3.09Å
81S40.6Very low44Very low117 Ų117139.9 Ų139.982%0.81878%0.777SS**  trans-66.9100.1-179.9-78.10000114.3
82C34.6Very low46.3Very low125 Ų125141 Ų14185%0.84577%0.767SS**  trans-162.1110.5148.9-167.70000115.4H80 H84H80-C82 PolarHBondContact O-N 3.27Å; H80-C82 VanDerWaalsContact O-N 3.09Å; C82-H84 PolarHBondContact O-N 3.34Å
83G33.5Very low48.6Very low60 Ų60140 Ų14062%0.61975%0.751SS**  7916.6126.100000121.2R85G83-R85 PolarHBondContact O-N 3.35Å; G83-R85 VanDerWaalsContact O-N 3.11Å
84H46.7Very low51.1Low180 Ų180139.1 Ų139.183%0.83373%0.731SS**  trans24.874.9143.3-159.9-76.6000118C82C82-H84 PolarHBondContact O-N 3.34Å
85R51.1Low53Low221 Ų221137.2 Ų137.283%0.83472%0.722SS**  trans-152.323.9177.1-132.8-171.8-62.6-147.94.9119G83G83-R85 PolarHBondContact O-N 3.35Å; G83-R85 VanDerWaalsContact O-N 3.11Å
86F51.5Low54.9Low138 Ų138133.5 Ų133.561%0.60571%0.705SS**  trans-116.1-2.9-170.9-76.7-78.1000117.9G88F86-G88 VanDerWaalsContact C-N 3.26Å; F86-G88 PolarHBondContact O-N 3.39Å
87L54.7Low56.7Low171 Ų171128.3 Ų128.390%0.89568%0.678SS**THydrogen-bonded Turntrans-71.4-9.9-175.1-70.4172.1000115.5
88G56.3Low58.5Low82 Ų82122.8 Ų122.885%0.84566%0.655SS**THydrogen-bonded Turntrans-1013.2-177.600000116.9F86F86-G88 VanDerWaalsContact C-N 3.26Å; F86-G88 PolarHBondContact O-N 3.39Å
89R70.4Confident60.2Low99 Ų99118.3 Ų118.337%0.37463%0.634SS.*  trans-89.9128.2-174.4-64.3-167.3-172.6-147-1.7112.5Q93 K94 D97R89-Q93 HydrophobicContact CB-CB 4.21Å; R89-Q93 HydrophobicContact CB-CG 4.27Å; R89-Q93 HydrophobicContact CG-CG 4.29Å; R89-K94 HydrophobicContact CB-CG 3.99Å; R89-K94 VanDerWaalsContact O-CE 3.28Å; R89-K94 WeakPolarHBondContact O-CE 3.38Å; R89-D97 VanDerWaalsContact CD-OD2 3.28Å; R89-D97 WeakPolarHBondContact CD-OD2 3.43Å; R89-D97 IonicContact CZ-OD2 3.65Å; R89-D97 IonicContact NE-OD2 3.36Å; R89-D97 IonicContact NH1-OD1 2.92Å; R89-D97 PolarHBondContact NH1-OD1 2.87Å; R89-D97 IonicContact NH1-OD2 2.72Å; R89-D97 PolarHBondContact NH1-OD2 2.99Å
90S80.3Confident61.6Low70 Ų70114.6 Ų114.649%0.4963%0.626SS.*  trans-63.5160.1174.674.20000112K92 Q93 K94S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 2.87Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.47Å; S90-Q93 PolarHBondContact OG-N 3.09Å; S90-K94 PolarHBondContact O-N 3.06Å
91L74.3Confident62.8Low148 Ų148113 Ų11378%0.77562%0.619SS**Hα-helixtrans-56.5-40.5178.1-177.862.3000112.1Q93 K94 L95L91-Q93 PolarHBondContact O-N 3.44Å; L91-K94 PolarHBondContact O-N 3.25Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.09Å
92K71.5Confident63.7Low154 Ų154111.4 Ų111.467%0.6761%0.607SS**Hα-helixtrans-61.3-42.7175-175.9176.2179.4178.20112S90 L95 Q96S90-K92 VanDerWaalsContact C-N 3.26Å; S90-K92 PolarHBondContact O-N 2.87Å; K92-L95 PolarHBondContact O-N 3.38Å; K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.43Å
93Q77Confident64.8Low84 Ų84109.6 Ų109.639%0.39359%0.585SS.*Hα-helixtrans-64.5-46.6177.1-164.172.250.600111.1R89 S90 L91 L95 Q96 D97R89-Q93 HydrophobicContact CB-CB 4.21Å; R89-Q93 HydrophobicContact CB-CG 4.27Å; R89-Q93 HydrophobicContact CG-CG 4.29Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.47Å; S90-Q93 PolarHBondContact OG-N 3.09Å; L91-Q93 PolarHBondContact O-N 3.44Å; Q93-L95 VanDerWaalsContact C-N 3.3Å; Q93-L95 PolarHBondContact O-N 2.68Å; Q93-Q96 PolarHBondContact O-N 3.14Å; Q93-D97 WeakPolarHBondContact O-CB 3.49Å; Q93-D97 PolarHBondContact O-N 3.18Å
94K84.6Confident65.5Low109 Ų109111.8 Ų111.847%0.47459%0.588SS.*Hα-helixtrans-60.5-38.5176.4-69.3179.1177.3178.30112.2R89 S90 L91 A98R89-K94 HydrophobicContact CB-CG 3.99Å; R89-K94 VanDerWaalsContact O-CE 3.28Å; R89-K94 WeakPolarHBondContact O-CE 3.38Å; S90-K94 PolarHBondContact O-N 3.06Å; L91-K94 PolarHBondContact O-N 3.25Å; K94-A98 VanDerWaalsContact O-CB 3.31Å; K94-A98 WeakPolarHBondContact O-CB 3.49Å; K94-A98 PolarHBondContact O-N 2.93Å
95L73.1Confident65.6Low117 Ų117109.7 Ų109.761%0.61358%0.582SS**Hα-helixtrans-66.7-41.6175.3-16773.1000111.6L91 K92 Q93 A98 V99L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.09Å; K92-L95 PolarHBondContact O-N 3.38Å; Q93-L95 VanDerWaalsContact C-N 3.3Å; Q93-L95 PolarHBondContact O-N 2.68Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-V99 WeakPolarHBondContact O-CB 3.41Å; L95-V99 VanDerWaalsContact O-CG2 3.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 2.95Å
96Q74.9Confident65.2Low108 Ų108108 Ų10851%0.50558%0.581SS.*Hα-helixtrans-66.4-42175.3-72.5175.6-50.400112.3K92 Q93 A98 V99 G100K92-Q96 WeakPolarHBondContact O-CG 3.28Å; K92-Q96 PolarHBondContact O-N 3.43Å; Q93-Q96 PolarHBondContact O-N 3.14Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.91Å; Q96-V99 PolarHBondContact O-N 3.47Å; Q96-G100 PolarHBondContact O-N 2.91Å
97D73Confident64.5Low58 Ų58107.8 Ų107.831%0.3159%0.586SS.*Hα-helixtrans-59.7-42.7173.2-66.9-41.2000110.9R89 Q93 G100 Q101R89-D97 VanDerWaalsContact CD-OD2 3.28Å; R89-D97 WeakPolarHBondContact CD-OD2 3.43Å; R89-D97 IonicContact CZ-OD2 3.65Å; R89-D97 IonicContact NE-OD2 3.36Å; R89-D97 IonicContact NH1-OD1 2.92Å; R89-D97 PolarHBondContact NH1-OD1 2.87Å; R89-D97 IonicContact NH1-OD2 2.72Å; R89-D97 PolarHBondContact NH1-OD2 2.99Å; Q93-D97 WeakPolarHBondContact O-CB 3.49Å; Q93-D97 PolarHBondContact O-N 3.18Å; D97-G100 PolarHBondContact O-N 3.37Å; D97-Q101 WeakPolarHBondContact O-CG 3.28Å; D97-Q101 PolarHBondContact O-N 3.05Å
98A72.9Confident63.7Low46 Ų46105.7 Ų105.738%0.3858%0.584SS.*Hα-helixtrans-68-42177.200000112.9K94 L95 Q96 G100 Q101 C102K94-A98 VanDerWaalsContact O-CB 3.31Å; K94-A98 WeakPolarHBondContact O-CB 3.49Å; K94-A98 PolarHBondContact O-N 2.93Å; L95-A98 PolarHBondContact O-N 3.48Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.91Å; A98-G100 VanDerWaalsContact C-N 3.26Å; A98-G100 PolarHBondContact O-N 3.39Å; A98-Q101 WeakPolarHBondContact O-CB 3.44Å; A98-Q101 PolarHBondContact O-N 2.9Å; A98-C102 PolarHBondContact O-N 2.62Å; A98-C102 PolarHBondContact O-SG 3.49Å; A98-C102 VanDerWaalsContact O-SG 3.37Å
99V70.1Confident63Low77 Ų77106.9 Ų106.947%0.46758%0.579SS.*Hα-helixtrans-59.3-38.8173.1167.70000110.8L95 Q96 Q101 C102 F103L95-V99 WeakPolarHBondContact O-CB 3.41Å; L95-V99 VanDerWaalsContact O-CG2 3.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 2.95Å; Q96-V99 PolarHBondContact O-N 3.47Å; V99-Q101 VanDerWaalsContact C-N 3.26Å; V99-Q101 PolarHBondContact O-N 3.1Å; V99-C102 PolarHBondContact O-N 2.71Å; V99-F103 HydrophobicContact CG1-CD2 3.99Å; V99-F103 HydrophobicContact CG1-CE2 4.42Å; V99-F103 WeakPolarHBondContact O-CD2 3.26Å; V99-F103 PolarHBondContact O-N 3.05Å
100G65.3Low61.2Low50 Ų50107.8 Ų107.852%0.51560%0.601SS.*Hα-helixtrans-67.2-19.2173.700000115.3Q96 D97 A98Q96-G100 PolarHBondContact O-N 2.91Å; D97-G100 PolarHBondContact O-N 3.37Å; A98-G100 VanDerWaalsContact C-N 3.26Å; A98-G100 PolarHBondContact O-N 3.39Å
101Q63Low59.3Low158 Ų158114.8 Ų114.874%0.73862%0.616SS**Hα-helixtrans-87.7-41.3171.3-65.7-75.1-12.300111.4D97 A98 V99 F103D97-Q101 WeakPolarHBondContact O-CG 3.28Å; D97-Q101 PolarHBondContact O-N 3.05Å; A98-Q101 WeakPolarHBondContact O-CB 3.44Å; A98-Q101 PolarHBondContact O-N 2.9Å; V99-Q101 VanDerWaalsContact C-N 3.26Å; V99-Q101 PolarHBondContact O-N 3.1Å; Q101-F103 VanDerWaalsContact C-N 3.29Å; Q101-F103 PolarHBondContact O-N 2.87Å
102C59.8Low57.6Low84 Ų84116.3 Ų116.357%0.56862%0.619SS**Hα-helixtrans-68.1-25.8177.8-66.50000113.3A98 V99 P104A98-C102 PolarHBondContact O-N 2.62Å; A98-C102 PolarHBondContact O-SG 3.49Å; A98-C102 VanDerWaalsContact O-SG 3.37Å; V99-C102 PolarHBondContact O-N 2.71Å; C102-P104 WeakPolarHBondContact O-CD 3.22Å
103F56.4Low55.6Low88 Ų88115 Ų11539%0.38663%0.629SS.*SBendtrans-116.185.7170.1-64.2-80.5000109.7V99 Q101 I105V99-F103 HydrophobicContact CG1-CD2 3.99Å; V99-F103 HydrophobicContact CG1-CE2 4.42Å; V99-F103 WeakPolarHBondContact O-CD2 3.26Å; V99-F103 PolarHBondContact O-N 3.05Å; Q101-F103 VanDerWaalsContact C-N 3.29Å; Q101-F103 PolarHBondContact O-N 2.87Å; F103-I105 PolarHBondContact O-N 2.86Å
104P48.9Very low53.8Low105 Ų105117 Ų11768%0.68265%0.652SS**  trans-74.165.6-175.931-36.8000112.7C102 K106C102-P104 WeakPolarHBondContact O-CD 3.22Å; P104-K106 PolarHBondContact O-N 3.32Å; P104-K106 VanDerWaalsContact O-N 3.1Å
105I48Very low51.9Low136 Ų136115.2 Ų115.270%0.69767%0.665SS**  trans-65.6107.4168.5-58.1175.5000107.4F103 N107F103-I105 PolarHBondContact O-N 2.86Å; I105-N107 VanDerWaalsContact C-N 3.26Å; I105-N107 PolarHBondContact O-N 3.32Å
106K42.8Very low50.5Low187 Ų187117.7 Ų117.781%0.81368%0.678SS**  trans-7179.4177.9-70-179.6179.61740111.1P104 C108P104-K106 PolarHBondContact O-N 3.32Å; P104-K106 VanDerWaalsContact O-N 3.1Å; K106-C108 PolarHBondContact O-N 3.31Å
107N38.5Very low49Very low133 Ų133117.6 Ų117.671%0.71169%0.687SS**  trans-6699.8164.2-86.615.7000108.9I105 S109I105-N107 VanDerWaalsContact C-N 3.26Å; I105-N107 PolarHBondContact O-N 3.32Å; N107-S109 PolarHBondContact O-N 3.18Å
108C36.6Very low47.5Very low126 Ų126120.2 Ų120.285%0.85171%0.71SS**  trans-70.668.5175.5-67.10000111.6K106K106-C108 PolarHBondContact O-N 3.31Å
109S42.7Very low46.8Very low107 Ų107128.2 Ų128.275%0.74874%0.736SS**  trans-130.542-178.7-65.50000112.3N107N107-S109 PolarHBondContact O-N 3.18Å
110S31.8Very low46.8Very low119 Ų119133.6 Ų133.683%0.83275%0.748SS**  trans-98.1132157.1-169.20000108.8
111R40.4Very low47.1Very low216 Ų216140.7 Ų140.782%0.81577%0.765SS**  trans-90.6152.1179-58-178.4-175.9176.81.5109.9
112H37.7Very low47.6Very low181 Ų181136.4 Ų136.484%0.83875%0.746SS**  trans71.769.5168.5-46.1-73000117.7
113S30.2Very low48.3Very low126 Ų126138.1 Ų138.188%0.88175%0.745SS**  -140.5151.5129.467.60000109.5
114S39.8Very low49.1Very low125 Ų125139.6 Ų139.687%0.87476%0.756SS**  trans-96.4130.3-160.653.70000114.5
115G45.2Very low50.2Low72 Ų72137.6 Ų137.674%0.74275%0.745SS**  trans103.682.8144.200000118.2
116L42.3Very low51.5Low170 Ų170133 Ų13389%0.8972%0.72SS**  trans-140.8150.2144-80.7-174.7000109.4
117P44.2Very low52.9Low106 Ų106126.6 Ų126.669%0.68870%0.695SS**  trans-74.5153.4-17230-35.4000113.3
118S41.3Very low54.5Low112 Ų112127.4 Ų127.478%0.78370%0.696SS**  trans-59.1149.6174.1-176.80000112.1R120S118-R120 PolarHBondContact O-N 3.49Å
119K58.1Low56.5Low214 Ų214125.1 Ų125.193%0.9368%0.675SS**  trans-71.859.7174.4-67.8-174.5177.4-178.40111.9
120R70.6Confident58Low191 Ų191126.8 Ų126.872%0.72168%0.675SS**  trans-65.4133.6170-170.2-177.7-176.5930.1108.8S118 I122 E126S118-R120 PolarHBondContact O-N 3.49Å; R120-I122 PolarHBondContact O-N 2.82Å; R120-E126 IonicContact NE-OE1 2.87Å
121K71.9Confident60.2Low199 Ų199129.8 Ų129.887%0.86567%0.673SS**  trans-67.3112.4164.5-70.1-176.1176.8-177.80107.6H123K121-H123 PolarHBondContact O-N 3.41Å
122I73.6Confident62.2Low68 Ų68121.1 Ų121.135%0.34965%0.646SS.*  trans-70.5119.8172.6-63167.4000106.9R120 E126 L127 F134 L140R120-I122 PolarHBondContact O-N 2.82Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-L127 HydrophobicContact CG2-CD2 3.97Å; I122-L127 HydrophobicContact CG2-CG 4.34Å; I122-F134 HydrophobicContact CD1-CE1 3.95Å; I122-F134 HydrophobicContact CD1-CZ 3.76Å; I122-F134 HydrophobicContact CG1-CE1 4.16Å; I122-F134 HydrophobicContact CG1-CZ 4.13Å; I122-F134 HydrophobicContact CG2-CZ 3.95Å; I122-L140 HydrophobicContact CD1-CD1 4.2Å; I122-L140 HydrophobicContact CD1-CD2 4Å
123H74.1Confident64.2Low119 Ų119115.4 Ų115.455%0.55163%0.625SS**  trans-78.4149.8176.3-166.4-112.1000110.6K121 S125 E126K121-H123 PolarHBondContact O-N 3.41Å; H123-S125 PolarHBondContact ND1-OG 3.04Å; H123-S125 PolarHBondContact O-N 3.02Å; H123-S125 VanDerWaalsContact O-N 3.11Å; H123-E126 HydrophobicContact CB-CG 4.44Å; H123-E126 WeakPolarHBondContact O-CB 3.29Å; H123-E126 PolarHBondContact O-N 3.3Å
124I71.9Confident66.7Low120 Ų120110.8 Ų110.862%0.61559%0.589SS**Hα-helixtrans-59.5-30.6-174.8-156.574.5000112.2E126 L127I124-E126 VanDerWaalsContact C-N 3.29Å; I124-E126 PolarHBondContact O-N 3.06Å; I124-L127 HydrophobicContact CD1-CD1 4.2Å; I124-L127 WeakPolarHBondContact O-CB 3.27Å; I124-L127 PolarHBondContact O-N 3.24Å; I124-L127 VanDerWaalsContact O-N 3.13Å
125S73.7Confident68.8Low63 Ų63109.1 Ų109.144%0.44158%0.575SS.*Hα-helixtrans-64.4-26.3174.759.50000114.1H123 L127 M128H123-S125 PolarHBondContact ND1-OG 3.04Å; H123-S125 PolarHBondContact O-N 3.02Å; H123-S125 VanDerWaalsContact O-N 3.11Å; S125-L127 PolarHBondContact O-N 3.42Å; S125-M128 PolarHBondContact O-N 3.43Å
126E75.3Confident70.1Confident40 Ų40111.6 Ų111.619%0.18758%0.578CS.*Hα-helixtrans-68.9-25.2175.1-61.8178.6-166.600111.5R120 I122 H123 I124 P133 W144R120-E126 IonicContact NE-OE1 2.87Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; H123-E126 HydrophobicContact CB-CG 4.44Å; H123-E126 WeakPolarHBondContact O-CB 3.29Å; H123-E126 PolarHBondContact O-N 3.3Å; I124-E126 VanDerWaalsContact C-N 3.29Å; I124-E126 PolarHBondContact O-N 3.06Å; E126-P133 HydrophobicContact CB-CG 4.47Å; E126-W144 PolarHBondContact O-NE1 3.4Å
127L71.2Confident71.6Confident52 Ų52115.8 Ų115.827%0.27258%0.582SS.*Hα-helixtrans-79.6-22.6174.4-54.5-174.6000112.8I122 I124 S125 F134I122-L127 HydrophobicContact CG2-CD2 3.97Å; I122-L127 HydrophobicContact CG2-CG 4.34Å; I124-L127 HydrophobicContact CD1-CD1 4.2Å; I124-L127 WeakPolarHBondContact O-CB 3.27Å; I124-L127 PolarHBondContact O-N 3.24Å; I124-L127 VanDerWaalsContact O-N 3.13Å; S125-L127 PolarHBondContact O-N 3.42Å; L127-F134 HydrophobicContact CD2-CE2 4.35Å
128M72.9Confident73.4Confident149 Ų149112.3 Ų112.373%0.73456%0.56SS**SBendtrans-90.81.4-178.5-61.2-58.7-66.300113.9S125S125-M128 PolarHBondContact O-N 3.43Å
129L77.8Confident75.2Confident79 Ų79112.6 Ų112.641%0.41455%0.553SS.*  trans-67.5161.2-178.6-67176.9000113P133 W144 K148L129-P133 HydrophobicContact CD1-CB 4.13Å; L129-P133 HydrophobicContact CD1-CG 4.17Å; L129-W144 HydrophobicContact CB-CZ2 4.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.34Å; L129-K148 PolarHBondContact O-NZ 2.8Å
130D73.2Confident76.4Confident142 Ų142105.6 Ų105.676%0.75953%0.525SS*.SBendtrans-79-32.9177-92.1-43000115.4K148D130-K148 VanDerWaalsContact CA-NZ 3.32Å; D130-K148 PolarHBondContact O-NZ 3.13Å; D130-K148 IonicContact OD1-NZ 2.71Å; D130-K148 PolarHBondContact OD1-NZ 2.7Å
131K78.1Confident77.1Confident181 Ų18196.8 Ų96.879%0.78749%0.493SS*.SBendtrans-116.5143.5177-62.8177.1-1781760109.4P133K131-P133 WeakPolarHBondContact O-CD 3.36Å
132C82.4Confident77.7Confident35 Ų3594.5 Ų94.524%0.23648%0.483CS..  trans-65.7124.9-175.5-1680000111.1F134 W144 H145C132-F134 VanDerWaalsContact C-N 3.28Å; C132-F134 PolarHBondContact O-N 3.36Å; C132-W144 HydrophobicContact CB-CD2 3.92Å; C132-W144 HydrophobicContact CB-CE3 3.51Å; C132-W144 HydrophobicContact CB-CH2 4.01Å; C132-W144 HydrophobicContact CB-CZ2 4.34Å; C132-W144 HydrophobicContact CB-CZ3 3.58Å; C132-W144 VanDerWaalsContact N-CH2 3.32Å; C132-W144 VanDerWaalsContact SG-CD2 3.58Å; C132-W144 VanDerWaalsContact SG-CE3 3.56Å; C132-H145 VanDerWaalsContact CB-CE1 3.43Å; C132-H145 WeakPolarHBondContact CB-CE1 3Å
133P80.4Confident78.1Confident61 Ų6198.7 Ų98.740%0.39650%0.495SS..  trans-81.6-3.9-179.633.6-36.6000113.6E126 L129 K131E126-P133 HydrophobicContact CB-CG 4.47Å; L129-P133 HydrophobicContact CD1-CB 4.13Å; L129-P133 HydrophobicContact CD1-CG 4.17Å; K131-P133 WeakPolarHBondContact O-CD 3.36Å
134F83.5Confident78.8Confident29 Ų2993.5 Ų93.513%0.12747%0.471CS..SBendtrans-99.7149.3-174.2-54.8-57.8000112.3I122 L127 C132 L140 A141 W144I122-F134 HydrophobicContact CD1-CE1 3.95Å; I122-F134 HydrophobicContact CD1-CZ 3.76Å; I122-F134 HydrophobicContact CG1-CE1 4.16Å; I122-F134 HydrophobicContact CG1-CZ 4.13Å; I122-F134 HydrophobicContact CG2-CZ 3.95Å; L127-F134 HydrophobicContact CD2-CE2 4.35Å; C132-F134 VanDerWaalsContact C-N 3.28Å; C132-F134 PolarHBondContact O-N 3.36Å; F134-L140 HydrophobicContact CB-CB 4.05Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.14Å; F134-L140 HydrophobicContact CD2-CB 3.84Å; F134-L140 HydrophobicContact CE1-CB 4.44Å; F134-L140 HydrophobicContact CE1-CD1 4.31Å; F134-L140 HydrophobicContact CE2-CB 4.3Å; F134-L140 HydrophobicContact CG-CB 3.66Å; F134-A141 HydrophobicContact CB-CB 3.97Å; F134-W144 HydrophobicContact CD2-CB 3.95Å; F134-W144 HydrophobicContact CD2-CG 4.22Å; F134-W144 HydrophobicContact CE2-CB 4.04Å; F134-W144 AromaticContact CE2-CD1 3.72Å; F134-W144 HydrophobicContact CE2-CG 4.15Å
135P82.2Confident79.4Confident89 Ų8992.2 Ų92.258%0.57846%0.462SS*.PPolyproline II helixtrans-55.4139.5179.3-26.635.1000112.8S138 A141P135-S138 VanDerWaalsContact O-CB 3.28Å; P135-S138 WeakPolarHBondContact O-CB 3.43Å; P135-S138 PolarHBondContact O-N 3.11Å; P135-S138 VanDerWaalsContact O-N 3.14Å; P135-S138 PolarHBondContact O-OG 2.71Å; P135-A141 WeakPolarHBondContact O-CB 3.44Å
136P72.4Confident79.9Confident125 Ų12594.8 Ų94.881%0.81247%0.465SS*.THydrogen-bonded Turntrans-59.6143.7179.125.4-34.2000110.9S138P136-S138 PolarHBondContact O-N 2.6Å
137R74.3Confident80.3Confident258 Ų25896.2 Ų96.297%0.97447%0.473SS*.THydrogen-bonded Turntrans64.111.6-172.8-57.9177.6169.7152.3-3.9116
138S82.2Confident80.8Confident32 Ų3296.7 Ų96.722%0.22447%0.473CS..  trans-81.515116768.10000112.7P135 P136 L140 A141 F142P135-S138 VanDerWaalsContact O-CB 3.28Å; P135-S138 WeakPolarHBondContact O-CB 3.43Å; P135-S138 PolarHBondContact O-N 3.11Å; P135-S138 VanDerWaalsContact O-N 3.14Å; P135-S138 PolarHBondContact O-OG 2.71Å; P136-S138 PolarHBondContact O-N 2.6Å; S138-L140 PolarHBondContact O-N 2.79Å; S138-A141 WeakPolarHBondContact O-CB 3.33Å; S138-A141 PolarHBondContact O-N 3.1Å; S138-A141 WeakPolarHBondContact OG-CB 3.24Å; S138-A141 PolarHBondContact OG-N 3.2Å; S138-F142 PolarHBondContact O-N 3.09Å
139D79.4Confident81Confident118 Ų11899.4 Ų99.463%0.63148%0.475SS*.Hα-helixtrans-55.9-35.1173.5-86.14.4000112.8F142 R143D139-F142 PolarHBondContact O-N 3.28Å; D139-R143 WeakPolarHBondContact O-CB 2.95Å; D139-R143 VanDerWaalsContact O-CG 3.28Å; D139-R143 WeakPolarHBondContact O-CG 3.48Å; D139-R143 PolarHBondContact O-N 3.27Å
140L83.7Confident80.6Confident68 Ų68102.1 Ų102.136%0.35649%0.485SS..Hα-helixtrans-67.2-42.3176.4-64.3177.7000111.1I122 F134 S138 R143 W144I122-L140 HydrophobicContact CD1-CD1 4.2Å; I122-L140 HydrophobicContact CD1-CD2 4Å; F134-L140 HydrophobicContact CB-CB 4.05Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.14Å; F134-L140 HydrophobicContact CD2-CB 3.84Å; F134-L140 HydrophobicContact CE1-CB 4.44Å; F134-L140 HydrophobicContact CE1-CD1 4.31Å; F134-L140 HydrophobicContact CE2-CB 4.3Å; F134-L140 HydrophobicContact CG-CB 3.66Å; S138-L140 PolarHBondContact O-N 2.79Å; L140-R143 PolarHBondContact O-N 3.05Å; L140-W144 VanDerWaalsContact O-CB 3.26Å; L140-W144 WeakPolarHBondContact O-CB 3.36Å; L140-W144 PolarHBondContact O-N 2.81Å
141A85.3Confident80.5Confident6 Ų699.6 Ų99.65%0.0548%0.475CS..Hα-helixtrans-62.7-41.9172.400000111.6F134 P135 S138 W144 H145F134-A141 HydrophobicContact CB-CB 3.97Å; P135-A141 WeakPolarHBondContact O-CB 3.44Å; S138-A141 WeakPolarHBondContact O-CB 3.33Å; S138-A141 PolarHBondContact O-N 3.1Å; S138-A141 WeakPolarHBondContact OG-CB 3.24Å; S138-A141 PolarHBondContact OG-N 3.2Å; A141-W144 PolarHBondContact O-N 3.01Å; A141-H145 PolarHBondContact O-N 3.4Å; A141-H145 PolarHBondContact O-ND1 3.35Å
142F83Confident79.5Confident150 Ų15093.8 Ų93.866%0.65846%0.461SS*.Hα-helixtrans-61.8-48.3177.4-172.3-92000111.8S138 D139 W144 H145 F146S138-F142 PolarHBondContact O-N 3.09Å; D139-F142 PolarHBondContact O-N 3.28Å; F142-W144 PolarHBondContact O-N 3.41Å; F142-H145 PolarHBondContact O-N 3.3Å; F142-F146 WeakPolarHBondContact O-CB 3.47Å; F142-F146 PolarHBondContact O-N 3.48Å
143R83.8Confident77.9Confident157 Ų15797.9 Ų97.959%0.59249%0.487SS*.Hα-helixtrans-63.7-39.4177.7-70173.3-171.3-168.33.4112.4D139 L140 F146 I147D139-R143 WeakPolarHBondContact O-CB 2.95Å; D139-R143 VanDerWaalsContact O-CG 3.28Å; D139-R143 WeakPolarHBondContact O-CG 3.48Å; D139-R143 PolarHBondContact O-N 3.27Å; L140-R143 PolarHBondContact O-N 3.05Å; R143-F146 PolarHBondContact O-N 2.9Å; R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.25Å; R143-I147 PolarHBondContact O-N 3.11Å
144W87.4Confident76.2Confident10 Ų10102.8 Ų102.84%0.03851%0.509CS..Hα-helixtrans-61.7-46.5175.8-174.898.9000112E126 L129 C132 F134 L140 A141 F142 F146 I147 K148E126-W144 PolarHBondContact O-NE1 3.4Å; L129-W144 HydrophobicContact CB-CZ2 4.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.34Å; C132-W144 HydrophobicContact CB-CD2 3.92Å; C132-W144 HydrophobicContact CB-CE3 3.51Å; C132-W144 HydrophobicContact CB-CH2 4.01Å; C132-W144 HydrophobicContact CB-CZ2 4.34Å; C132-W144 HydrophobicContact CB-CZ3 3.58Å; C132-W144 VanDerWaalsContact N-CH2 3.32Å; C132-W144 VanDerWaalsContact SG-CD2 3.58Å; C132-W144 VanDerWaalsContact SG-CE3 3.56Å; F134-W144 HydrophobicContact CD2-CB 3.95Å; F134-W144 HydrophobicContact CD2-CG 4.22Å; F134-W144 HydrophobicContact CE2-CB 4.04Å; F134-W144 AromaticContact CE2-CD1 3.72Å; F134-W144 HydrophobicContact CE2-CG 4.15Å; L140-W144 VanDerWaalsContact O-CB 3.26Å; L140-W144 WeakPolarHBondContact O-CB 3.36Å; L140-W144 PolarHBondContact O-N 2.81Å; A141-W144 PolarHBondContact O-N 3.01Å; F142-W144 PolarHBondContact O-N 3.41Å; W144-F146 VanDerWaalsContact C-N 3.32Å; W144-F146 PolarHBondContact O-N 2.86Å; W144-I147 PolarHBondContact O-N 3.01Å; W144-K148 HydrophobicContact CH2-CD 3.66Å; W144-K148 HydrophobicContact CZ2-CD 4.19Å; W144-K148 HydrophobicContact CZ3-CD 3.98Å; W144-K148 WeakPolarHBondContact O-CB 3.48Å; W144-K148 PolarHBondContact O-N 2.68Å
145H85.3Confident74Confident93 Ų93107.6 Ų107.643%0.43154%0.535SS..Hα-helixtrans-68.3-31.7176.4-70.991.1000112.5C132 A141 F142 R149C132-H145 VanDerWaalsContact CB-CE1 3.43Å; C132-H145 WeakPolarHBondContact CB-CE1 3Å; A141-H145 PolarHBondContact O-N 3.4Å; A141-H145 PolarHBondContact O-ND1 3.35Å; F142-H145 PolarHBondContact O-N 3.3Å; H145-R149 WeakPolarHBondContact O-CG 3.27Å; H145-R149 PolarHBondContact O-N 2.73Å; H145-R149 VanDerWaalsContact O-N 3.15Å
146F83.6Confident71.9Confident117 Ų117108.6 Ų108.651%0.51355%0.545SS..Hα-helixtrans-65.1-49.6173-173.1-91.5000111.2F142 R143 W144 K148 R149 H150F142-F146 WeakPolarHBondContact O-CB 3.47Å; F142-F146 PolarHBondContact O-N 3.48Å; R143-F146 PolarHBondContact O-N 2.9Å; W144-F146 VanDerWaalsContact C-N 3.32Å; W144-F146 PolarHBondContact O-N 2.86Å; F146-K148 PolarHBondContact O-N 3.09Å; F146-R149 PolarHBondContact O-N 2.97Å; F146-H150 AromaticContact CE1-CD2 3.7Å; F146-H150 AromaticContact CE2-NE2 3.74Å; F146-H150 AromaticContact CZ-CD2 3.68Å; F146-H150 AromaticContact CZ-NE2 3.55Å; F146-H150 PolarHBondContact O-CD2 3.29Å; F146-H150 PolarHBondContact O-N 3.23Å
147I83.4Confident69.9Low69 Ų69110.9 Ų110.935%0.35454%0.542SS..Hα-helixtrans-55.9-53.3174.7-68.1163000109.9R143 W144 R149 H150 T151R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.25Å; R143-I147 PolarHBondContact O-N 3.11Å; W144-I147 PolarHBondContact O-N 3.01Å; I147-R149 PolarHBondContact O-N 2.9Å; I147-R149 VanDerWaalsContact O-N 3.13Å; I147-H150 CarbonylContact O-C 3.51Å; I147-H150 WeakPolarHBondContact O-CA 3.39Å; I147-H150 PolarHBondContact O-N 2.73Å; I147-T151 HydrophobicContact CG2-CG2 3.9Å; I147-T151 PolarHBondContact O-N 3.27Å; I147-T151 PolarHBondContact O-OG1 3.11Å; I147-T151 VanDerWaalsContact O-OG1 3.1Å
148K82.2Confident67.8Low62 Ų62103.7 Ų103.727%0.2753%0.531SS..Hα-helixtrans-63.3-22.2-176.5-168.6162.5-173.6170.60114.3L129 D130 W144 F146 A152L129-K148 PolarHBondContact O-NZ 2.8Å; D130-K148 VanDerWaalsContact CA-NZ 3.32Å; D130-K148 PolarHBondContact O-NZ 3.13Å; D130-K148 IonicContact OD1-NZ 2.71Å; D130-K148 PolarHBondContact OD1-NZ 2.7Å; W144-K148 HydrophobicContact CH2-CD 3.66Å; W144-K148 HydrophobicContact CZ2-CD 4.19Å; W144-K148 HydrophobicContact CZ3-CD 3.98Å; W144-K148 WeakPolarHBondContact O-CB 3.48Å; W144-K148 PolarHBondContact O-N 2.68Å; F146-K148 PolarHBondContact O-N 3.09Å; K148-A152 PolarHBondContact O-N 2.89Å
149R78.3Confident65.4Low207 Ų207110.7 Ų110.778%0.78157%0.566SS**Hα-helixtrans-74.4-27.5170.3-78.3173.9175.9-174.9-1.8113.7H145 F146 I147H145-R149 WeakPolarHBondContact O-CG 3.27Å; H145-R149 PolarHBondContact O-N 2.73Å; H145-R149 VanDerWaalsContact O-N 3.15Å; F146-R149 PolarHBondContact O-N 2.97Å; I147-R149 PolarHBondContact O-N 2.9Å; I147-R149 VanDerWaalsContact O-N 3.13Å
150H67.6Low63Low135 Ų135114.3 Ų114.363%0.62558%0.579SS**Hα-helixtrans-102.2-10.7-179.3-71.2-70.6000113.7F146 I147F146-H150 AromaticContact CE1-CD2 3.7Å; F146-H150 AromaticContact CE2-NE2 3.74Å; F146-H150 AromaticContact CZ-CD2 3.68Å; F146-H150 AromaticContact CZ-NE2 3.55Å; F146-H150 PolarHBondContact O-CD2 3.29Å; F146-H150 PolarHBondContact O-N 3.23Å; I147-H150 CarbonylContact O-C 3.51Å; I147-H150 WeakPolarHBondContact O-CA 3.39Å; I147-H150 PolarHBondContact O-N 2.73Å
151T71.8Confident60.4Low89 Ų89121.9 Ų121.955%0.54660%0.603SS.*SBendtrans-110.32.717562.50000114.2I147I147-T151 HydrophobicContact CG2-CG2 3.9Å; I147-T151 PolarHBondContact O-N 3.27Å; I147-T151 PolarHBondContact O-OG1 3.11Å; I147-T151 VanDerWaalsContact O-OG1 3.1Å
152A57.9Low57.6Low60 Ų60128.2 Ų128.250%0.49664%0.641SS.*SBendtrans-62.8130.8167.600000109.6K148 I154K148-A152 PolarHBondContact O-N 2.89Å; A152-I154 PolarHBondContact O-N 2.79Å
153P49.2Very low55Low121 Ų121125.2 Ų125.279%0.78664%0.639SS**  trans-58.3133.8177.7-25.134.4000111.5N155P153-N155 PolarHBondContact O-N 2.84Å; P153-N155 VanDerWaalsContact O-N 3.09Å
154I44.6Very low52.3Low164 Ų164123.5 Ų123.584%0.84165%0.646SS**  trans-63.7112.4166.1-63.3173.5000106.5A152 S156A152-I154 PolarHBondContact O-N 2.79Å; I154-S156 PolarHBondContact O-N 3Å
155N37.2Very low49.3Very low129 Ų129129.5 Ų129.569%0.6968%0.678SS**  trans-67.6103.5180-179.422000109.1P153 K157P153-N155 PolarHBondContact O-N 2.84Å; P153-N155 VanDerWaalsContact O-N 3.09Å; N155-K157 VanDerWaalsContact C-N 3.33Å; N155-K157 PolarHBondContact O-N 3.05Å
156S37.3Very low46.5Very low111 Ų111132.1 Ų132.178%0.77670%0.695SS**  trans-73.282.1-174.9570000111.7I154I154-S156 PolarHBondContact O-N 3Å
157K30Very low43.8Very low172 Ų172131.2 Ų131.275%0.74870%0.703SS**  trans-146.5133.1162.8-62.2-171.9180-169.90109.1N155N155-K157 VanDerWaalsContact C-N 3.33Å; N155-K157 PolarHBondContact O-N 3.05Å
158S31.7Very low41Very low107 Ų107136.6 Ų136.675%0.74873%0.727SS**  cis-171.6109.6-17.540.10000106.3E160S158-E160 PolarHBondContact O-N 3.19Å
159D31.2Very low38.2Very low179 Ų179139.2 Ų139.296%0.95775%0.748SS**  trans-86.3109.4177.3-70.3-42.8000110.3
160E28.9Very low35.8Very low194 Ų194136.8 Ų136.891%0.90775%0.745SS**  trans-141.7152.9155.9-164.1159.3-161.400110.1S158S158-E160 PolarHBondContact O-N 3.19Å
161W29.1Very low34.1Very low228 Ų228136.4 Ų136.486%0.86475%0.748SS**  trans-79.9150.8-161.3-138.2-59.7000113.2
162V26.6Very low32.1Very low139 Ų139141.2 Ų141.284%0.84276%0.756SS**  -178.6150.8128.2145.50000110.2
163S28.3Very low30.7Very low87 Ų87144.1 Ų144.161%0.60876%0.763SS**  trans-94.8179.1-171.9-53.10000114.1
164T26.1Very low29.8Very low121 Ų121141.2 Ų141.274%0.74276%0.755SS**  trans105.8113.1142.8-51.60000119
165D24.6Very low29.2Very low135 Ų135142 Ų14272%0.72276%0.755SS**  trans59.1126.2143.3-61.9-7.1000126.6
166L26.6Very low28.8Very low149 Ų149142.1 Ų142.178%0.7876%0.755SS**  trans63.6146.5132.9-8785000124.8
167S26.7Very low28.5Very low97 Ų97145.3 Ų145.368%0.67876%0.755SS**  trans79.3121.4156.974.60000117.3
168Q25.3Very low28.3Very low182 Ų182144.1 Ų144.185%0.8576%0.756SS**  66.9135.8100.8-60.1179.89.100113
169T24.2Very low28.1Very low118 Ų118148.8 Ų148.872%0.72476%0.757SS**  cis-150.316725.2-39.30000111.9
170E27.2Very low28Very low155 Ų155148.1 Ų148.172%0.72475%0.753SS**  trans-21.9166.4166-52.9-179.8141.300120
171L31.8Very low28Very low128 Ų128145.2 Ų145.267%0.6774%0.741SS**  cis-155.9142.439.2-80.1165.6000114.5
172R29.8Very low28Very low189 Ų189140.7 Ų140.771%0.71373%0.73SS**  trans53.4147.8132.4-64.9-173.1178.5-72.7-9.7122
173D28.4Very low28.1Very low122 Ų122141.5 Ų141.565%0.65273%0.725SS**  cis-155.2153.3-5.3-124.8-32.3000113.7
174G30.8Very low27.9Very low59 Ų59142.6 Ų142.661%0.60872%0.724SS**  trans54.2136.5151.600000121.4
175Q31.3Very low27.9Very low180 Ų180143.3 Ų143.384%0.84172%0.721SS**  cis-166179.88.8-117.1171.810400108.2
176L29.8Very low27.8Very low133 Ų133143.3 Ų143.370%0.69672%0.721SS**  cis-148-93.722-146.4174.9000114.9
177K29.3Very low27.7Very low178 Ų178141.4 Ų141.477%0.77472%0.719SS**  trans-133.6164.5-173.9-83.2168.2-176.3170.40108.9
178L27.8Very low27.6Very low147 Ų147144 Ų14477%0.7772%0.719SS**  cis-153.3151.422.9-139.4145.5000112.4
179R25.8Very low27.6Very low205 Ų205140 Ų14077%0.77471%0.71SS**  trans-18.9141.8178.2-62.8177.5169.7-165.6-7.1120.9
180N29.9Very low27.7Very low164 Ų164141.8 Ų141.888%0.87771%0.71SS**  trans-105.2155.3134.8-83.5-16.2000109.6
181M29.8Very low27.7Very low133 Ų133140.2 Ų140.266%0.65571%0.711SS**  trans-170.2148.1170.8-121.8105.7174.800105.1
182E28.8Very low27.2Very low133 Ų133141.3 Ų141.362%0.62172%0.718SS**  cis-155.5146.10.7-125.8147.7-160.400105.1
183E27.4Very low27Very low157 Ų157138.4 Ų138.473%0.73472%0.721SS**  58.6150.9101.5-66.4-166.5-165.500116.8
184N24.8Very low26.8Very low110 Ų110140.9 Ų140.959%0.58873%0.728SS**  cis-146.5149.4-4.1-100.7-30.6000107.5
185I25Very low27.2Very low136 Ų136143 Ų14370%0.69773%0.732SS**  68.710966.9-60.3-176.6000115
186N24.2Very low26.8Very low135 Ų135140.8 Ų140.872%0.72273%0.734SS**  trans64.6166.1155.7-69.7-5.3000118.1
187C23.3Very low26.6Very low108 Ų108140.1 Ų140.173%0.7374%0.736SS**  cis-147.5175.921.3-1480000116
188F24.2Very low26.5Very low153 Ų153139.5 Ų139.567%0.67174%0.739SS**  trans-48.9170.6171.3-68.1-117.5000113.4
189S27Very low26.3Very low96 Ų96137.5 Ų137.567%0.67173%0.733SS**  cis-170.2156.737.7-24.20000114.2
190H25.8Very low26.4Very low156 Ų156133.2 Ų133.272%0.72273%0.73SS**  trans42.9147.3132.5-55.4-36.6000122.1
191T26.2Very low26.3Very low122 Ų122131.4 Ų131.475%0.74872%0.72SS**  cis-168.5142.91.512.80000113.8
192N22.8Very low26.2Very low151 Ų151131.8 Ų131.881%0.80773%0.725SS**  trans73.1163.3131.2-156.525.5000122.9
193V25.4Very low26.1Very low128 Ų128130 Ų13078%0.77673%0.733SS**  trans88.3143.3169-165.90000116.6
194Q23.7Very low26.1Very low174 Ų174130.1 Ų130.181%0.81374%0.738SS**  trans-133.2-158.4-164.5-157.9-156.75.900110.6
195P39.6Very low26Very low105 Ų105130.3 Ų130.368%0.68275%0.746SS**  -87.3175.8-117.141.2-29.9000115.4
196C22.8Very low26Very low132 Ų132133.9 Ų133.989%0.89275%0.751SS**  trans-151.1163.9155.9-146.20000113.6
197V25Very low25.9Very low119 Ų119135.1 Ų135.172%0.72175%0.753SS**  trans-113.4147.9-177.4173.90000109.6
198I28.1Very low26Very low166 Ų166137.1 Ų137.185%0.85176%0.756SS**  trans-137.5147.2163.9-60.1-176.2000109.9
199T22.5Very low26.9Very low105 Ų105134.8 Ų134.864%0.64476%0.756SS**  trans-136176.4-178.4-35.20000109.1
200T29.1Very low27Very low114 Ų114137.8 Ų137.870%0.69976%0.761SS**  trans70149162.560.10000117.2
201D26.1Very low27Very low127 Ų127136.8 Ų136.868%0.67977%0.766SS**  cis-164.2158.2-3.5-117.31.7000117.8
202N29.3Very low26.9Very low141 Ų141134.6 Ų134.675%0.75477%0.768SS**  trans78.3149.1136.6-76.3-38.9000128.9
203A26.9Very low27.1Very low96 Ų96132.5 Ų132.579%0.79377%0.765SS**  trans84.3145.9152.300000121.2
204L25.6Very low27.2Very low159 Ų159132.2 Ų132.283%0.83276%0.763SS**  cis-171.2146.2-23.6174.762.1000110.9
205C23.1Very low27.4Very low113 Ų113131.4 Ų131.476%0.76476%0.762SS**  trans146.9123.4149.7-82.10000110.6
206R25.1Very low26.8Very low212 Ų212132.6 Ų132.680%0.876%0.762SS**  62.3122.162.7-108.4-170.5-179.2-114.93.8112.7
207E22.2Very low27.1Very low161 Ų161132.8 Ų132.875%0.75275%0.754SS**  cis-153.4-172.543.2-64.3-15612300115.1
208D26.3Very low27.2Very low150 Ų150132.8 Ų132.880%0.80275%0.754SS**  trans-155.7164.6-178.2-133.3-13.2000106
209P43.3Very low27.3Very low103 Ų103129.5 Ų129.567%0.66975%0.746SS**  cis-158.7-16834.845.9-22.5000119.7
210M28.8Very low27.5Very low160 Ų160130.4 Ų130.479%0.78875%0.747SS**  trans95.1133.3137.6-82.3-52.4173.400126.4
211T25.6Very low27.5Very low134 Ų134131.8 Ų131.882%0.82275%0.75SS**  trans81.4125.814046.20000125.7
212G24.4Very low27.6Very low77 Ų77130.1 Ų130.179%0.79475%0.748SS**  trans107.9150.9144.300000117.9
213S27.2Very low27.8Very low106 Ų106130 Ų13074%0.74175%0.746SS**  cis-168.2114.7-15-165.30000114.4
214V26.1Very low28.2Very low122 Ų122134.5 Ų134.574%0.73975%0.751SS**  trans62.6159.2134.5-168.80000121.6
215M28.8Very low28.5Very low157 Ų157133.9 Ų133.977%0.77375%0.748SS**  trans85.1144.6169.8-53.8-167.2-159.500116.7
216N27.2Very low29Very low131 Ų131134.2 Ų134.270%0.70175%0.751SS**  cis-169.1169-9.3-95.6-12.6000107
217L29.1Very low29.6Very low135 Ų135131.4 Ų131.471%0.70775%0.753SS**  cis-154.7133.2-2.7-137.590.3000105.6
218V26.9Very low30.3Very low120 Ų120132.5 Ų132.573%0.72776%0.76SS**  66.4137.490.8-179.30000118.2
219S29.6Very low30.6Very low97 Ų97132 Ų13268%0.67876%0.757SS**  trans80143163.4-76.90000120.2
220N27.1Very low30.5Very low124 Ų124132.1 Ų132.166%0.66376%0.76SS**  cis-170.9145.8-21.9-114.14.1000110.9
221N28.3Very low30.9Very low143 Ų143131.9 Ų131.977%0.76576%0.762SS**  trans60.1152.3150.9-60.53.2000119.7
222S28Very low31.5Very low92 Ų92133.8 Ų133.864%0.64377%0.768SS**  cis-171.5148.9-17.748.20000109.8
223I34.4Very low32.2Very low139 Ų139139.4 Ų139.471%0.71377%0.773SS**  trans34126.8134.6-46.1173.4000116.1
224E34.3Very low32.8Very low190 Ų190141.3 Ų141.389%0.88877%0.773SS**  -145.7174.366.3-35.9-165.1137.500115.7
225D32.6Very low32.9Very low145 Ų145143.8 Ų143.878%0.77578%0.781SS**  trans-89.6159.6-155.8-44.6-67000117.6
226S34.7Very low33.2Very low120 Ų120141.4 Ų141.484%0.83978%0.776SS**  trans-172.3147.9130.217.80000112.6
227D36.8Very low33.5Very low154 Ų154142.3 Ų142.382%0.82478%0.78SS**  trans-82.6158.7-168.4-43.7-94.8000115.6
228M37.1Very low33.4Very low183 Ų183140.7 Ų140.790%0.90178%0.779SS**  trans-168.890.8136.3-103.2-63.3156.600113.3
229D33Very low34.1Very low141 Ų141141.6 Ų141.675%0.75479%0.785SS**  trans36.7138.7140.7-138.7-25.4000124.7
230S41.3Very low34.2Very low104 Ų104142.6 Ų142.673%0.72779%0.792SS**  trans89.8131.2147.1-81.80000122.7
231D37.3Very low34.8Very low156 Ų156142.7 Ų142.783%0.83480%0.802SS**  trans-112167.6-172-48.1-79.1000113.4
232D37.9Very low35.4Very low174 Ų174148.1 Ų148.193%0.9381%0.812SS**  trans-159.4115.3145.2-120.2-25.1000109.6
233E38.2Very low36.1Very low195 Ų195153.4 Ų153.491%0.91182%0.823SS**  trans-108.3153.8-174.1-96.9-152.7139.300115.3
234I40Very low36Very low145 Ų145157.2 Ų157.274%0.74483%0.829SS**  trans-75.7139.7177.2-64163.3000110.7
235L28.9Very low35.8Very low174 Ų174154.4 Ų154.491%0.91182%0.82SS**  trans-146.5147.8147.3-141.371.2000114.9
236T33.7Very low36.2Very low108 Ų108157.1 Ų157.166%0.66383%0.825SS**  trans-111.3151.1-175.5-510000110.2
237L34.3Very low36.2Very low150 Ų150156.3 Ų156.379%0.78582%0.817SS**  154.4127.1127.3-80.2167.6000116.3
238C27.7Very low36.2Very low101 Ų101156.2 Ų156.268%0.68281%0.809SS**  trans43.2108.7132.6-63.70000122.9
239T41Very low36Very low138 Ų138159 Ų15985%0.84781%0.809SS**  37.9120.2122.360.50000120.9
240S31.4Very low36.4Very low119 Ų119159.1 Ų159.183%0.83281%0.806SS**  trans-147.7147.6140.467.80000111.8
241S40.7Very low36Very low125 Ų125161.5 Ų161.587%0.87481%0.809SS**  trans-97131.9178.5-55.70000111.7
242R39.3Very low35.7Very low258 Ų258160.3 Ų160.397%0.97480%0.803SS**  trans-134.9147.2161.9-95.4-175.7174-175.7-0.9112.6
243K43.3Very low35.7Very low202 Ų202160.2 Ų160.288%0.87880%0.802SS**  trans-115.3113.6-163171.3-173.6-179178.80109.9
244R32.9Very low35.9Very low220 Ų220160 Ų16083%0.8380%0.802SS**  trans-161.4138.2163.8-120179.5154.179.3-0.8114.1
245N29.9Very low35.9Very low131 Ų131160.7 Ų160.770%0.70181%0.805SS**  trans54.4115.1151.2-60.11.2000120.5
246K40Very low36.5Very low202 Ų202160.6 Ų160.688%0.87881%0.805SS**  trans-69.6134.1153.4-60.6179.7177.4-174.70109.6
247P35.8Very low37Very low103 Ų103164.4 Ų164.467%0.66982%0.815SS**  trans-69.8138.2149.9-926.4000108.7
248K37.5Very low37.5Very low151 Ų151165.4 Ų165.466%0.65782%0.82SS**  trans-104.4116165.9-168.7-162.1-167.9-155.20107.3E250K248-E250 WeakPolarHBondContact CE-OE1 3.17Å; K248-E250 WeakPolarHBondContact CE-OE2 3.2Å; K248-E250 IonicContact NZ-OE1 3.09Å; K248-E250 PolarHBondContact NZ-OE1 2.97Å; K248-E250 IonicContact NZ-OE2 3.46Å; K248-E250 PolarHBondContact NZ-OE2 2.82Å
249W32Very low38.1Very low241 Ų241169.4 Ų169.491%0.91383%0.829SS**  trans-121.3106.1168.9-63.3115.6000107.7
250E40.6Very low38.4Very low145 Ų145168.6 Ų168.668%0.67882%0.824SS**  trans-109.7109.6161.4-77.8166.2-178.900105.5K248K248-E250 WeakPolarHBondContact CE-OE1 3.17Å; K248-E250 WeakPolarHBondContact CE-OE2 3.2Å; K248-E250 IonicContact NZ-OE1 3.09Å; K248-E250 PolarHBondContact NZ-OE1 2.97Å; K248-E250 IonicContact NZ-OE2 3.46Å; K248-E250 PolarHBondContact NZ-OE2 2.82Å
251L33.6Very low39.1Very low154 Ų154168.2 Ų168.281%0.80682%0.818SS**  trans-161.9140161-149.753.3000110.5
252D31.1Very low39.6Very low131 Ų131165.9 Ų165.970%0.70180%0.8SS**  trans60.384.5165.7-53.6-22.2000119.5E254D252-E254 VanDerWaalsContact C-N 3.28Å; D252-E254 PolarHBondContact O-N 2.93Å
253D37.1Very low40.2Very low172 Ų172162.5 Ų162.592%0.9279%0.792SS**THydrogen-bonded Turntrans-77.111.2172.1-86.3-57.7000115.2
254E43.3Very low40.5Very low191 Ų191159 Ų15989%0.89377%0.774SS**THydrogen-bonded Turntrans-106.87.8-167.3-69.1-159.1138.900117.1D252D252-E254 VanDerWaalsContact C-N 3.28Å; D252-E254 PolarHBondContact O-N 2.93Å
255I40.3Very low41.8Very low158 Ų158154.1 Ų154.181%0.8176%0.761SS**SBendtrans-130.137.6177.8-32.6-179000113.5
256L40.9Very low43.3Very low173 Ų173151.4 Ų151.491%0.90675%0.75SS**  trans-136.437.4178.8-74.3178.2000114.7
257Q43.6Very low44.6Very low187 Ų187145.8 Ų145.887%0.87473%0.726SS**  trans-119.6144.5162.5-63.8-166.119.300110.6
258L46.4Very low46.4Very low172 Ų172144.2 Ų144.290%0.90171%0.712SS**SBendtrans69.560.8-178-62.8161000116.7
259E39.1Very low48.4Very low185 Ų185140.1 Ų140.186%0.86470%0.697SS**  -139.8113.4114-78.7-150.8157.600109.9
260T47.4Very low51Low121 Ų121133.6 Ų133.674%0.74267%0.673SS**PPolyproline II helixtrans-77.2131.8162.552.10000108.3
261P45.3Very low53.3Low111 Ų111129.8 Ų129.872%0.72166%0.659SS**PPolyproline II helixtrans-57131.8-178.322.9-33.5000110.3K263P261-K263 PolarHBondContact O-N 3.44Å
262P52.2Low56.1Low75 Ų75125.6 Ų125.649%0.48764%0.636SS.*PPolyproline II helixtrans-55.3127.5-173.716.9-30.4000111.5Y264P262-Y264 HydrophobicContact CB-CE1 4.25Å; P262-Y264 HydrophobicContact CB-CE2 4.36Å; P262-Y264 HydrophobicContact CG-CE1 4.19Å; P262-Y264 HydrophobicContact CG-CE2 3.81Å; P262-Y264 WeakPolarHBondContact CG-OH 3.34Å; P262-Y264 VanDerWaalsContact O-CD2 3.3Å; P262-Y264 WeakPolarHBondContact O-CD2 3.32Å; P262-Y264 PolarHBondContact O-N 2.73Å
263K51.2Low59Low187 Ų187120.6 Ų120.681%0.81361%0.61SS**  trans-7770.9-179.2-70.4178.3-179.8169.30110.6P261 H265P261-K263 PolarHBondContact O-N 3.44Å; K263-H265 PolarHBondContact O-N 2.89Å
264Y49.8Very low61.8Low128 Ų128113.3 Ų113.350%0.50257%0.571SS.*  trans-54111.6174.9-58.8-67.5000110.6P262P262-Y264 HydrophobicContact CB-CE1 4.25Å; P262-Y264 HydrophobicContact CB-CE2 4.36Å; P262-Y264 HydrophobicContact CG-CE1 4.19Å; P262-Y264 HydrophobicContact CG-CE2 3.81Å; P262-Y264 WeakPolarHBondContact CG-OH 3.34Å; P262-Y264 VanDerWaalsContact O-CD2 3.3Å; P262-Y264 WeakPolarHBondContact O-CD2 3.32Å; P262-Y264 PolarHBondContact O-N 2.73Å
265H59.9Low64.2Low118 Ų118104.4 Ų104.455%0.54653%0.53SS..EExtended strand (participates in β ladder)trans-91.5107.4171.9-170.782.9000109K263 Q267 I433K263-H265 PolarHBondContact O-N 2.89Å; H265-Q267 PolarHBondContact O-N 2.93Å; H265-I433 HydrophobicContact CB-CB 4.37Å; H265-I433 PolarHBondContact N-O 3.49Å; H265-I433 PolarHBondContact O-N 2.91Å
266T62.3Low66.6Low75 Ų75100 Ų10046%0.4651%0.511SS..EExtended strand (participates in β ladder)trans-90.2100.217651.50000110.5V430 L431 R432T266-V430 HydrophobicContact CG2-CG1 3.98Å; T266-L431 WeakPolarHBondContact CA-O 3.46Å; T266-R432 HydrophobicContact CG2-CG 4.16Å
267Q67.1Low69.1Low83 Ų8391.8 Ų91.839%0.38847%0.468SS..EExtended strand (participates in β ladder)trans-81.5133168.7-174.7171.2-42.200109.4H265 D269 V430 L431H265-Q267 PolarHBondContact O-N 2.93Å; Q267-D269 PolarHBondContact NE2-OD1 2.86Å; Q267-V430 CarbonylContact O-C 3.57Å; Q267-V430 WeakPolarHBondContact O-CA 3.5Å; Q267-L431 PolarHBondContact N-O 2.89Å; Q267-L431 PolarHBondContact O-N 3.49Å
268I73.7Confident71.5Confident71 Ų7183 Ų8336%0.36443%0.428SS..EExtended strand (participates in β ladder)trans-111.2109.3176.6-51.4-177.6000108Y270 K427 V430I268-Y270 HydrophobicContact CB-CE2 4.08Å; I268-Y270 HydrophobicContact CG2-CD2 4.37Å; I268-Y270 HydrophobicContact CG2-CE2 3.7Å; I268-Y270 WeakPolarHBondContact O-CD2 3.41Å; I268-Y270 WeakPolarHBondContact O-CE2 3.29Å; I268-K427 HydrophobicContact CG2-CG 4.3Å; I268-V430 HydrophobicContact CG1-CG1 4.35Å; I268-V430 HydrophobicContact CG1-CG2 4.17Å
269D80.3Confident73.9Confident65 Ų6576.6 Ų76.635%0.34839%0.394SS..EExtended strand (participates in β ladder)trans-91134.2179.4-66.4-37.7000111.2Q267 V428 R429Q267-D269 PolarHBondContact NE2-OD1 2.86Å; D269-V428 PolarHBondContact O-N 2.87Å; D269-R429 PolarHBondContact N-O 2.94Å
270Y85.7Confident76.6Confident104 Ų10472.3 Ų72.341%0.40837%0.374SS..EExtended strand (participates in β ladder)trans-114136-178.7-65.2-97.9000110.7I268 K425 S426 K427I268-Y270 HydrophobicContact CB-CE2 4.08Å; I268-Y270 HydrophobicContact CG2-CD2 4.37Å; I268-Y270 HydrophobicContact CG2-CE2 3.7Å; I268-Y270 WeakPolarHBondContact O-CD2 3.41Å; I268-Y270 WeakPolarHBondContact O-CE2 3.29Å; Y270-K425 HydrophobicContact CD1-CB 3.88Å; Y270-S426 CarbonylContact C-O 3.57Å; Y270-S426 VanDerWaalsContact CA-O 3.31Å; Y270-S426 WeakPolarHBondContact CA-O 3.29Å; Y270-K427 HydrophobicContact CD1-CG 3.77Å; Y270-K427 HydrophobicContact CE1-CD 4.1Å; Y270-K427 HydrophobicContact CE1-CG 3.38Å; Y270-K427 WeakPolarHBondContact OH-CE 3.47Å
271V89.3Confident78.9Confident65 Ų6566.6 Ų66.639%0.39434%0.339SS..EExtended strand (participates in β ladder)trans-106.3135.5168.3172.10000109K425 S426 V428V271-K425 CarbonylContact O-C 3.56Å; V271-S426 PolarHBondContact N-O 2.93Å; V271-S426 PolarHBondContact O-N 3.29Å; V271-V428 HydrophobicContact CB-CG2 3.7Å; V271-V428 HydrophobicContact CG2-CB 4.23Å; V271-V428 HydrophobicContact CG2-CG2 3.45Å; V271-V428 VanDerWaalsContact CG2-CG2 3.45Å
272H91.4Very high81.3Confident66 Ų6661.8 Ų61.831%0.30631%0.307SS..EExtended strand (participates in β ladder)trans-91124179.9-64.5-107.2000109.5Y403 H423 Y424H272-Y403 HydrophobicContact CB-CD1 3.64Å; H272-Y403 HydrophobicContact CB-CD2 3.99Å; H272-Y403 HydrophobicContact CB-CE1 3.4Å; H272-Y403 VanDerWaalsContact CB-CE1 3.4Å; H272-Y403 HydrophobicContact CB-CE2 3.78Å; H272-Y403 HydrophobicContact CB-CG 3.92Å; H272-Y403 VanDerWaalsContact CB-CZ 3.46Å; H272-Y403 AromaticContact CG-CZ 3.9Å; H272-Y403 VanDerWaalsContact O-CB 3.24Å; H272-Y403 WeakPolarHBondContact O-CB 2.88Å; H272-H423 AromaticContact CE1-NE2 3.63Å; H272-H423 AromaticContact CG-CD2 3.88Å; H272-H423 AromaticContact ND1-CD2 3.11Å; H272-H423 PolarHBondContact ND1-CD2 3.43Å; H272-H423 AromaticContact ND1-CE1 3.86Å; H272-H423 AromaticContact ND1-NE2 2.92Å; H272-H423 PolarHBondContact ND1-NE2 3.35Å; H272-Y424 WeakPolarHBondContact CA-O 3.4Å
273C92.6Very high83.4Confident25 Ų2563.9 Ų63.917%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-122136.1-178.9-60.60000109.9H423 Y424C273-H423 CarbonylContact O-C 3.54Å; C273-H423 WeakPolarHBondContact O-CA 2.95Å; C273-H423 VanDerWaalsContact O-CB 3.28Å; C273-H423 WeakPolarHBondContact O-CB 3.41Å; C273-Y424 HydrophobicContact CB-CD1 4.31Å; C273-Y424 HydrophobicContact CB-CD2 3.96Å; C273-Y424 HydrophobicContact CB-CE1 3.84Å; C273-Y424 HydrophobicContact CB-CE2 3.48Å; C273-Y424 VanDerWaalsContact CB-CE2 3.48Å; C273-Y424 HydrophobicContact CB-CG 4.39Å; C273-Y424 VanDerWaalsContact CB-CZ 3.42Å; C273-Y424 PolarHBondContact N-O 3.44Å; C273-Y424 WeakPolarHBondContact O-CD1 3.36Å; C273-Y424 PolarHBondContact O-N 3.21Å
274L94.9Very high85.5Confident19 Ų1957.2 Ų57.210%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-65.6150.4170.8-63.7174.3000110C398 T401 Y403 I406 Y424L274-C398 HydrophobicContact CD1-CB 4.26Å; L274-T401 HydrophobicContact CD1-CG2 4.37Å; L274-Y403 HydrophobicContact CD2-CD2 4.03Å; L274-Y403 HydrophobicContact CG-CD2 4.43Å; L274-I406 HydrophobicContact CD1-CD1 3.96Å; L274-I406 HydrophobicContact CD2-CD1 4.02Å; L274-I406 HydrophobicContact CG-CD1 4.49Å; L274-Y424 WeakPolarHBondContact O-CE1 3.49Å
275V94.9Very high87.7Confident5 Ų554.1 Ų54.13%0.0328%0.283CS..  trans-64.5124.2170.9177.70000109.1D277 L278 I281 L319 F320 I357 Y422V275-D277 VanDerWaalsContact CG1-OD1 3.29Å; V275-D277 WeakPolarHBondContact CG1-OD1 3.41Å; V275-L278 HydrophobicContact CB-CB 4.22Å; V275-L278 HydrophobicContact CG1-CB 4.35Å; V275-I281 HydrophobicContact CG1-CD1 4.09Å; V275-L319 HydrophobicContact CG2-CD1 3.24Å; V275-F320 HydrophobicContact CG1-CE2 4.18Å; V275-F320 HydrophobicContact CG2-CE2 4.06Å; V275-I357 HydrophobicContact CG1-CD1 4.3Å; V275-Y422 PolarHBondContact N-O 3.4Å
276P90.6Very high89.5Confident64 Ų6448.5 Ų48.542%0.41626%0.257SS..THydrogen-bonded Turntrans-67.2-43-171.225.7-34000112.8L278 F342 D356P276-L278 PolarHBondContact O-N 2.78Å; P276-F342 HydrophobicContact CG-CE2 4.2Å; P276-D356 WeakPolarHBondContact CG-OD1 3.37Å
277D92.6Very high91.1Very high1 Ų144.9 Ų44.91%0.00524%0.235CC..THydrogen-bonded Turntrans-92.716.4-175.474-27.9000114V275 L279 Q280 I281 D356 I357 T358V275-D277 VanDerWaalsContact CG1-OD1 3.29Å; V275-D277 WeakPolarHBondContact CG1-OD1 3.41Å; D277-L279 CarbonylContact O-C 3.57Å; D277-L279 PolarHBondContact O-N 3.1Å; D277-Q280 HydrophobicContact CB-CB 4.18Å; D277-Q280 HydrophobicContact CB-CG 4.17Å; D277-Q280 CarbonylContact O-C 3.59Å; D277-Q280 WeakPolarHBondContact O-CA 3.36Å; D277-Q280 WeakPolarHBondContact O-CB 3.3Å; D277-Q280 PolarHBondContact O-N 3.41Å; D277-I281 PolarHBondContact O-N 3.47Å; D277-I281 WeakPolarHBondContact OD1-CD1 3.3Å; D277-D356 HydrophobicContact CB-CB 4.14Å; D277-I357 WeakPolarHBondContact OD2-CA 3.11Å; D277-I357 WeakPolarHBondContact OD2-CB 3.37Å; D277-I357 PolarHBondContact OD2-N 3.14Å; D277-T358 PolarHBondContact OD2-N 2.96Å
278L95Very high92.6Very high3 Ų341.7 Ų41.72%0.01622%0.219CC..Hα-helixtrans-53.1-32.2-173.5-175.964.2000114V275 P276 N282 F320 T395 C398 Y422V275-L278 HydrophobicContact CB-CB 4.22Å; V275-L278 HydrophobicContact CG1-CB 4.35Å; P276-L278 PolarHBondContact O-N 2.78Å; L278-N282 WeakPolarHBondContact O-CB 3.43Å; L278-N282 PolarHBondContact O-N 3.39Å; L278-N282 PolarHBondContact O-ND2 3.28Å; L278-F320 HydrophobicContact CD1-CZ 4.13Å; L278-T395 HydrophobicContact CG-CG2 4.32Å; L278-C398 HydrophobicContact CD2-CB 4.05Å; L278-Y422 HydrophobicContact CD1-CD1 4.41Å; L278-Y422 HydrophobicContact CD1-CD2 3.82Å; L278-Y422 HydrophobicContact CD1-CE2 4.43Å; L278-Y422 HydrophobicContact CD1-CG 3.85Å; L278-Y422 HydrophobicContact CD2-CD2 3.93Å; L278-Y422 HydrophobicContact CD2-CG 4.24Å
279L95.8Very high93.7Very high37 Ų3738.5 Ų38.519%0.19420%0.203CC..Hα-helixtrans-73.6-38.6173.4-177.959.9000112.4D277 N282 N283 V396 N399D277-L279 CarbonylContact O-C 3.57Å; D277-L279 PolarHBondContact O-N 3.1Å; L279-N282 PolarHBondContact O-N 3.44Å; L279-N283 PolarHBondContact O-N 2.7Å; L279-N283 PolarHBondContact O-ND2 3.35Å; L279-V396 HydrophobicContact CD1-CG2 4.12Å; L279-N399 HydrophobicContact CB-CB 4.1Å; L279-N399 WeakPolarHBondContact CB-OD1 3.42Å; L279-N399 HydrophobicContact CD2-CB 3.9Å; L279-N399 WeakPolarHBondContact CD2-OD1 3.37Å
280Q95.9Very high94.4Very high95 Ų9541.8 Ų41.844%0.44423%0.226SC..Hα-helixtrans-65-46174-51-172.232.400111D277 N282 N283 N284 T358D277-Q280 HydrophobicContact CB-CB 4.18Å; D277-Q280 HydrophobicContact CB-CG 4.17Å; D277-Q280 CarbonylContact O-C 3.59Å; D277-Q280 WeakPolarHBondContact O-CA 3.36Å; D277-Q280 WeakPolarHBondContact O-CB 3.3Å; D277-Q280 PolarHBondContact O-N 3.41Å; Q280-N282 PolarHBondContact O-N 3.27Å; Q280-N283 PolarHBondContact O-N 3.31Å; Q280-N283 VanDerWaalsContact O-N 3.15Å; Q280-N284 WeakPolarHBondContact O-CB 3.25Å; Q280-N284 PolarHBondContact O-N 3.02Å; Q280-T358 HydrophobicContact CB-CG2 3.78Å; Q280-T358 PolarHBondContact OE1-OG1 2.7Å
281I96.4Very high94.9Very high2 Ų238.2 Ų38.21%0.0121%0.213CC..Hα-helixtrans-50.4-46.5172-70176000110.6V275 D277 N284 Y287 L310 F320 I357V275-I281 HydrophobicContact CG1-CD1 4.09Å; D277-I281 PolarHBondContact O-N 3.47Å; D277-I281 WeakPolarHBondContact OD1-CD1 3.3Å; I281-N284 WeakPolarHBondContact O-CB 3.09Å; I281-N284 PolarHBondContact O-N 2.89Å; I281-Y287 HydrophobicContact CG2-CD1 3.75Å; I281-Y287 HydrophobicContact CG2-CD2 3.72Å; I281-Y287 HydrophobicContact CG2-CE1 3.98Å; I281-Y287 HydrophobicContact CG2-CE2 3.95Å; I281-Y287 HydrophobicContact CG2-CG 3.6Å; I281-Y287 VanDerWaalsContact O-CB 3.23Å; I281-Y287 WeakPolarHBondContact O-CB 3.28Å; I281-L310 HydrophobicContact CG1-CD2 4.44Å; I281-L310 HydrophobicContact CG2-CD2 3.83Å; I281-F320 HydrophobicContact CD1-CD2 4.48Å; I281-F320 HydrophobicContact CD1-CE2 3.81Å; I281-F320 HydrophobicContact CD1-CZ 3.84Å; I281-I357 HydrophobicContact CD1-CB 3.99Å; I281-I357 HydrophobicContact CD1-CD1 4.02Å; I281-I357 HydrophobicContact CD1-CG2 4.07Å; I281-I357 HydrophobicContact CG1-CB 4.43Å; I281-I357 HydrophobicContact CG1-CG2 4.37Å
282N96.3Very high95.2Very high10 Ų1038.7 Ų38.75%0.05321%0.214CC..Hα-helixtrans-72.9-28.5-177-91.2-91.7000114.7L278 L279 Q280 R383 F387 H391 T395L278-N282 WeakPolarHBondContact O-CB 3.43Å; L278-N282 PolarHBondContact O-N 3.39Å; L278-N282 PolarHBondContact O-ND2 3.28Å; L279-N282 PolarHBondContact O-N 3.44Å; Q280-N282 PolarHBondContact O-N 3.27Å; N282-R383 PolarHBondContact O-NH2 3.48Å; N282-F387 WeakPolarHBondContact OD1-CD2 3.49Å; N282-F387 VanDerWaalsContact OD1-CE2 3.24Å; N282-F387 WeakPolarHBondContact OD1-CE2 3.42Å; N282-H391 PolarHBondContact ND2-NE2 3.29Å; N282-H391 PolarHBondContact OD1-CD2 3.05Å; N282-H391 PolarHBondContact OD1-NE2 2.97Å; N282-T395 HydrophobicContact CB-CG2 3.91Å; N282-T395 VanDerWaalsContact CG-CG2 3.42Å; N282-T395 VanDerWaalsContact ND2-CG2 3.34Å; N282-T395 WeakPolarHBondContact ND2-CG2 3.24Å
283N95.8Very high95.4Very high119 Ų11939.3 Ų39.364%0.63622%0.215SC*.Hα-helixtrans-78.9-22.4172.8-66.4-22.8000112L279 Q280 P285L279-N283 PolarHBondContact O-N 2.7Å; L279-N283 PolarHBondContact O-ND2 3.35Å; Q280-N283 PolarHBondContact O-N 3.31Å; Q280-N283 VanDerWaalsContact O-N 3.15Å; N283-P285 WeakPolarHBondContact O-CD 3.38Å
284N95.5Very high95.6Very high47 Ų4744.9 Ų44.925%0.25123%0.234SC..SBendtrans-70.5121.9177.4-169.8-26.8000110.8Q280 I281 C286 Y287Q280-N284 WeakPolarHBondContact O-CB 3.25Å; Q280-N284 PolarHBondContact O-N 3.02Å; I281-N284 WeakPolarHBondContact O-CB 3.09Å; I281-N284 PolarHBondContact O-N 2.89Å; N284-C286 VanDerWaalsContact CG-SG 3.54Å; N284-C286 PolarHBondContact O-N 3.36Å; N284-C286 PolarHBondContact OD1-N 3.01Å; N284-C286 PolarHBondContact OD1-SG 2.82Å; N284-Y287 PolarHBondContact O-N 3.42Å
285P95.8Very high95.7Very high62 Ų6246 Ų4640%0.40325%0.246SC..THydrogen-bonded Turntrans-68.3-11.7-178.928.4-36.5000114.4N283 Y287 I382 R383N283-P285 WeakPolarHBondContact O-CD 3.38Å; P285-Y287 VanDerWaalsContact C-N 3.27Å; P285-I382 HydrophobicContact CB-CD1 3.81Å; P285-I382 HydrophobicContact CB-CG2 4.17Å; P285-I382 HydrophobicContact CG-CD1 3.83Å; P285-R383 PolarHBondContact O-N 3.5Å
286C96.4Very high95.8Very high0 Ų045.8 Ų45.80%025%0.245CC..THydrogen-bonded Turntrans-78.5-8.617486.20000113.7N284 W288 F308 L310 P380N284-C286 VanDerWaalsContact CG-SG 3.54Å; N284-C286 PolarHBondContact O-N 3.36Å; N284-C286 PolarHBondContact OD1-N 3.01Å; N284-C286 PolarHBondContact OD1-SG 2.82Å; C286-W288 VanDerWaalsContact O-CD1 3.31Å; C286-F308 HydrophobicContact CB-CE2 4.19Å; C286-F308 HydrophobicContact CB-CZ 4.33Å; C286-L310 PolarHBondContact O-N 2.79Å; C286-P380 HydrophobicContact CB-CB 3.57Å
287Y97.9Very high96.2Very high0 Ų045.4 Ų45.40%024%0.237CC..BIsolated β-bridgetrans-88.9123.1178.7177.9-119.7000111.9I281 N284 P285 G289 L310 D312 F320 R383 F387 H391 Y422I281-Y287 HydrophobicContact CG2-CD1 3.75Å; I281-Y287 HydrophobicContact CG2-CD2 3.72Å; I281-Y287 HydrophobicContact CG2-CE1 3.98Å; I281-Y287 HydrophobicContact CG2-CE2 3.95Å; I281-Y287 HydrophobicContact CG2-CG 3.6Å; I281-Y287 VanDerWaalsContact O-CB 3.23Å; I281-Y287 WeakPolarHBondContact O-CB 3.28Å; N284-Y287 PolarHBondContact O-N 3.42Å; P285-Y287 VanDerWaalsContact C-N 3.27Å; Y287-G289 VanDerWaalsContact CZ-CA 3.49Å; Y287-L310 WeakPolarHBondContact CA-O 3.26Å; Y287-L310 HydrophobicContact CD2-CB 4.3Å; Y287-L310 HydrophobicContact CD2-CD2 3.83Å; Y287-L310 HydrophobicContact CD2-CG 3.93Å; Y287-L310 HydrophobicContact CG-CD2 4.44Å; Y287-D312 VanDerWaalsContact CE2-OD1 3.24Å; Y287-D312 WeakPolarHBondContact CE2-OD1 3.5Å; Y287-D312 PolarHBondContact OH-OD1 3.2Å; Y287-F320 HydrophobicContact CE2-CD1 4.11Å; Y287-F320 AromaticContact CE2-CE1 3.86Å; Y287-F320 HydrophobicContact CE2-CE1 3.86Å; Y287-R383 VanDerWaalsContact O-CD 3.32Å; Y287-R383 WeakPolarHBondContact O-CD 3.41Å; Y287-R383 PolarHBondContact O-NE 2.91Å; Y287-F387 AromaticContact CD1-CE2 3.65Å; Y287-F387 HydrophobicContact CD1-CE2 3.65Å; Y287-F387 AromaticContact CD1-CZ 3.57Å; Y287-F387 HydrophobicContact CD1-CZ 3.57Å; Y287-F387 AromaticContact CE1-CE2 3.82Å; Y287-F387 HydrophobicContact CE1-CE2 3.82Å; Y287-F387 AromaticContact CE1-CZ 3.7Å; Y287-F387 HydrophobicContact CE1-CZ 3.7Å; Y287-H391 AromaticContact CE1-NE2 3.48Å; Y287-H391 WeakPolarHBondContact CE1-NE2 3.37Å; Y287-Y422 PolarHBondContact OH-OH 3.49Å
288W97.6Very high96.4Very high16 Ų1648.5 Ų48.56%0.06126%0.263CS..  trans-102.1-8.7-177.7-72.469.9000114.3C286 M291 L299 L310 L381 I382 R383 F385C286-W288 VanDerWaalsContact O-CD1 3.31Å; W288-M291 HydrophobicContact CB-CE 3.77Å; W288-M291 HydrophobicContact CB-SD 4.33Å; W288-M291 HydrophobicContact CD2-CE 3.76Å; W288-M291 HydrophobicContact CE3-CE 3.39Å; W288-M291 HydrophobicContact CG-CE 3.94Å; W288-M291 HydrophobicContact CZ3-CE 4.22Å; W288-L299 HydrophobicContact CD2-CD1 4.37Å; W288-L299 HydrophobicContact CE3-CD1 3.97Å; W288-L299 HydrophobicContact CH2-CD1 3.91Å; W288-L299 HydrophobicContact CH2-CD2 4.25Å; W288-L299 HydrophobicContact CZ2-CD1 4.31Å; W288-L299 HydrophobicContact CZ3-CD1 3.73Å; W288-L310 PolarHBondContact N-O 3.1Å; W288-L381 HydrophobicContact CZ2-CD2 4.12Å; W288-L381 HydrophobicContact CZ2-CG 4.14Å; W288-L381 PolarHBondContact NE1-O 2.75Å; W288-I382 VanDerWaalsContact CZ2-O 3.29Å; W288-I382 WeakPolarHBondContact CZ2-O 3.27Å; W288-R383 HydrophobicContact CD2-CB 4.11Å; W288-R383 HydrophobicContact CD2-CG 4.46Å; W288-R383 HydrophobicContact CE3-CG 4.48Å; W288-R383 HydrophobicContact CG-CB 4.36Å; W288-R383 HydrophobicContact CZ2-CB 4.48Å; W288-F385 AromaticContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CZ 4.24Å; W288-F385 HydrophobicContact CZ3-CD1 4.43Å; W288-F385 AromaticContact CZ3-CE1 3.83Å; W288-F385 HydrophobicContact CZ3-CE1 3.83Å
289G96.1Very high96.5Very high3 Ų351.1 Ų51.13%0.03128%0.276CS..  trans72.5-145.1-175.500000113.2Y287 M291 R311 D312Y287-G289 VanDerWaalsContact CZ-CA 3.49Å; G289-M291 PolarHBondContact O-N 2.49Å; G289-R311 WeakPolarHBondContact O-CB 3.28Å; G289-D312 PolarHBondContact O-N 3.32Å
290V95.6Very high96.5Very high135 Ų13549.3 Ų49.382%0.81827%0.267SS*.SBendtrans-62.5103-179.6-176.90000110.6D312V290-D312 VanDerWaalsContact CG2-OD2 3.29Å; V290-D312 WeakPolarHBondContact CG2-OD2 3.47Å; V290-D312 PolarHBondContact N-OD2 2.78Å
291M95.4Very high96.6Very high28 Ų2851.8 Ų51.814%0.13828%0.279CS..  trans-147.1137.4179.3177.9-175.3-76.800109.4W288 G289 A295 A296 L299 L309 R311W288-M291 HydrophobicContact CB-CE 3.77Å; W288-M291 HydrophobicContact CB-SD 4.33Å; W288-M291 HydrophobicContact CD2-CE 3.76Å; W288-M291 HydrophobicContact CE3-CE 3.39Å; W288-M291 HydrophobicContact CG-CE 3.94Å; W288-M291 HydrophobicContact CZ3-CE 4.22Å; G289-M291 PolarHBondContact O-N 2.49Å; M291-A295 HydrophobicContact CG-CB 3.81Å; M291-A295 HydrophobicContact SD-CB 4.39Å; M291-A296 HydrophobicContact SD-CB 3.89Å; M291-L299 HydrophobicContact CE-CD1 3.4Å; M291-L299 HydrophobicContact SD-CD1 4.04Å; M291-L309 HydrophobicContact SD-CD1 3.97Å; M291-L309 HydrophobicContact SD-CD2 4.47Å; M291-R311 HydrophobicContact CB-CB 3.98Å; M291-R311 WeakPolarHBondContact O-CD 3.5Å; M291-R311 PolarHBondContact O-NH1 2.91Å
292D95.8Very high96.4Very high76 Ų7655 Ų5541%0.40631%0.313SS..  trans-81.9175.2175.180.2-12.4000112.1Y294 A295 A296D292-Y294 VanDerWaalsContact C-N 3.33Å; D292-Y294 PolarHBondContact O-N 2.88Å; D292-Y294 PolarHBondContact OD1-N 3.46Å; D292-Y294 WeakPolarHBondContact OD2-CD2 3.09Å; D292-A295 VanDerWaalsContact OD1-CB 3.25Å; D292-A295 WeakPolarHBondContact OD1-CB 3.46Å; D292-A295 PolarHBondContact OD1-N 3.48Å; D292-A296 PolarHBondContact O-N 2.67Å
293K96.4Very high96.4Very high78 Ų7858.5 Ų58.534%0.33933%0.327SS..Hα-helixtrans-68.2-33.5-179.977.8-178.2-163.379.70112.5A296 E297K293-A296 WeakPolarHBondContact O-CB 3.47Å; K293-A296 PolarHBondContact O-N 2.77Å; K293-E297 IonicContact NZ-OE1 3.36Å; K293-E297 PolarHBondContact NZ-OE1 3.43Å; K293-E297 WeakPolarHBondContact O-CB 3.47Å; K293-E297 VanDerWaalsContact O-CG 3.24Å; K293-E297 WeakPolarHBondContact O-CG 3.42Å; K293-E297 PolarHBondContact O-N 2.61Å
294Y97.1Very high96.4Very high143 Ų14357 Ų5756%0.56132%0.324SS*.Hα-helixtrans-73.7-38.2-173.9-57.9-68.9000112.4D292 A296 E297 A298D292-Y294 VanDerWaalsContact C-N 3.33Å; D292-Y294 PolarHBondContact O-N 2.88Å; D292-Y294 PolarHBondContact OD1-N 3.46Å; D292-Y294 WeakPolarHBondContact OD2-CD2 3.09Å; Y294-A296 VanDerWaalsContact C-N 3.32Å; Y294-E297 WeakPolarHBondContact CD1-OE2 3.49Å; Y294-E297 PolarHBondContact O-N 2.89Å; Y294-A298 WeakPolarHBondContact O-CB 3.46Å; Y294-A298 PolarHBondContact O-N 3.31Å
295A96.8Very high96.4Very high43 Ų4358.6 Ų58.636%0.35533%0.33SS..Hα-helixtrans-64.7-37.5170.500000111.7M291 D292 L299M291-A295 HydrophobicContact CG-CB 3.81Å; M291-A295 HydrophobicContact SD-CB 4.39Å; D292-A295 VanDerWaalsContact OD1-CB 3.25Å; D292-A295 WeakPolarHBondContact OD1-CB 3.46Å; D292-A295 PolarHBondContact OD1-N 3.48Å; A295-L299 WeakPolarHBondContact O-CG 3.39Å; A295-L299 PolarHBondContact O-N 2.84Å
296A97.6Very high96.3Very high0 Ų055.6 Ų55.60%031%0.31CS..Hα-helixtrans-67.6-43.1173.800000112.3M291 D292 K293 Y294 A298 L299 L300 L309M291-A296 HydrophobicContact SD-CB 3.89Å; D292-A296 PolarHBondContact O-N 2.67Å; K293-A296 WeakPolarHBondContact O-CB 3.47Å; K293-A296 PolarHBondContact O-N 2.77Å; Y294-A296 VanDerWaalsContact C-N 3.32Å; A296-A298 VanDerWaalsContact C-N 3.32Å; A296-A298 PolarHBondContact O-N 2.91Å; A296-L299 PolarHBondContact O-N 2.8Å; A296-L300 WeakPolarHBondContact O-CB 3.46Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 2.94Å; A296-L300 PolarHBondContact O-N 3.3Å; A296-L309 HydrophobicContact CB-CD1 4.07Å; A296-L309 HydrophobicContact CB-CD2 4.26Å
297E97.5Very high96.3Very high56 Ų5655.8 Ų55.826%0.26231%0.312SS..Hα-helixtrans-54.8-46.8173.5-75.2162.4-161.500110.9K293 Y294 L300 E301 H332K293-E297 IonicContact NZ-OE1 3.36Å; K293-E297 PolarHBondContact NZ-OE1 3.43Å; K293-E297 WeakPolarHBondContact O-CB 3.47Å; K293-E297 VanDerWaalsContact O-CG 3.24Å; K293-E297 WeakPolarHBondContact O-CG 3.42Å; K293-E297 PolarHBondContact O-N 2.61Å; Y294-E297 WeakPolarHBondContact CD1-OE2 3.49Å; Y294-E297 PolarHBondContact O-N 2.89Å; E297-L300 CarbonylContact O-C 3.54Å; E297-L300 PolarHBondContact O-N 3.15Å; E297-E301 PolarHBondContact O-N 2.9Å; E297-H332 IonicContact OE1-NE2 2.68Å; E297-H332 PolarHBondContact OE1-NE2 2.78Å
298A97.4Very high96.3Very high65 Ų6556.4 Ų56.454%0.53731%0.314SS..Hα-helixtrans-68.6-33.5179.100000114Y294 A296 L300 E301Y294-A298 WeakPolarHBondContact O-CB 3.46Å; Y294-A298 PolarHBondContact O-N 3.31Å; A296-A298 VanDerWaalsContact C-N 3.32Å; A296-A298 PolarHBondContact O-N 2.91Å; A298-L300 VanDerWaalsContact C-N 3.33Å; A298-E301 PolarHBondContact O-N 2.85Å
299L96.9Very high96.3Very high58 Ų5855.7 Ų55.730%0.30431%0.311SS..Hα-helixtrans-73.4-26.3174.3-75.5172.3000113W288 M291 A295 A296 K303 L309 L381W288-L299 HydrophobicContact CD2-CD1 4.37Å; W288-L299 HydrophobicContact CE3-CD1 3.97Å; W288-L299 HydrophobicContact CH2-CD1 3.91Å; W288-L299 HydrophobicContact CH2-CD2 4.25Å; W288-L299 HydrophobicContact CZ2-CD1 4.31Å; W288-L299 HydrophobicContact CZ3-CD1 3.73Å; M291-L299 HydrophobicContact CE-CD1 3.4Å; M291-L299 HydrophobicContact SD-CD1 4.04Å; A295-L299 WeakPolarHBondContact O-CG 3.39Å; A295-L299 PolarHBondContact O-N 2.84Å; A296-L299 PolarHBondContact O-N 2.8Å; L299-K303 WeakPolarHBondContact O-CE 3.32Å; L299-L309 HydrophobicContact CB-CD2 4.36Å; L299-L309 HydrophobicContact CD1-CD2 4.47Å; L299-L381 HydrophobicContact CB-CD2 3.86Å
300L96.9Very high96.4Very high0 Ų055.6 Ų55.60%031%0.31CS..SBendtrans-91.3-3.4176.3-65.6169000112.9A296 E297 A298 K303 T307 L309 R325 L381A296-L300 WeakPolarHBondContact O-CB 3.46Å; A296-L300 VanDerWaalsContact O-CG 3.27Å; A296-L300 WeakPolarHBondContact O-CG 2.94Å; A296-L300 PolarHBondContact O-N 3.3Å; E297-L300 CarbonylContact O-C 3.54Å; E297-L300 PolarHBondContact O-N 3.15Å; A298-L300 VanDerWaalsContact C-N 3.33Å; L300-K303 PolarHBondContact O-N 3.48Å; L300-T307 HydrophobicContact CD2-CG2 3.79Å; L300-L309 HydrophobicContact CD1-CD2 4.43Å; L300-L309 HydrophobicContact CD2-CD2 4.48Å; L300-L309 HydrophobicContact CG-CD2 4.25Å; L300-R325 WeakPolarHBondContact O-CD 3.31Å; L300-R325 PolarHBondContact O-NH1 3.22Å; L300-L381 HydrophobicContact CD2-CD2 4.47Å
301E96.3Very high96.5Very high147 Ų14749.6 Ų49.669%0.68727%0.273SS*.THydrogen-bonded Turntrans-64.6138.2174.8-166.3168.2-156.800111.3E297 A298 K303E297-E301 PolarHBondContact O-N 2.9Å; A298-E301 PolarHBondContact O-N 2.85Å; E301-K303 PolarHBondContact O-N 3.19Å
302G93.9Very high96.6Very high70 Ų7048.8 Ų48.872%0.72227%0.269SS*.THydrogen-bonded Turntrans65.90.5-177.300000116.8
303K96.4Very high96.6Very high83 Ų8346.4 Ų46.436%0.36126%0.259SS..PPolyproline II helixtrans-75.1160.5-177.8-59.5-58.1-178.4179.10113.2L299 L300 E301 T307 R325L299-K303 WeakPolarHBondContact O-CE 3.32Å; L300-K303 PolarHBondContact O-N 3.48Å; E301-K303 PolarHBondContact O-N 3.19Å; K303-T307 HydrophobicContact CB-CG2 4Å; K303-T307 HydrophobicContact CG-CG2 4.13Å; K303-R325 WeakPolarHBondContact O-CD 3.24Å; K303-R325 PolarHBondContact O-NE 2.86Å
304P95.9Very high96.4Very high86 Ų8646.5 Ų46.556%0.55827%0.274SS*.PPolyproline II helixtrans-68.2161.4169.327.3-32.6000112.2T307P304-T307 WeakPolarHBondContact CD-OG1 3.4Å; P304-T307 WeakPolarHBondContact CG-OG1 2.97Å; P304-T307 WeakPolarHBondContact O-CB 3.33Å; P304-T307 PolarHBondContact O-N 3.45Å; P304-T307 PolarHBondContact O-OG1 3.09Å
305E94.1Very high96.2Very high81 Ų8143.3 Ų43.338%0.37926%0.264SS..THydrogen-bonded Turntrans-60.7144.5171.8-173.1131.516000111.2T307 R325 R326 Y327 L376E305-T307 VanDerWaalsContact C-N 3.25Å; E305-T307 PolarHBondContact O-N 2.78Å; E305-R325 WeakPolarHBondContact CA-O 3.48Å; E305-R326 HydrophobicContact CG-CG 4.24Å; E305-R326 WeakPolarHBondContact OE1-CG 3.4Å; E305-Y327 VanDerWaalsContact CD-N 3.28Å; E305-Y327 PolarHBondContact OE1-N 3.28Å; E305-Y327 WeakPolarHBondContact OE2-CA 3.42Å; E305-Y327 PolarHBondContact OE2-N 2.85Å; E305-L376 HydrophobicContact CG-CD2 4.17Å
306G93.9Very high95.8Very high0 Ų048.3 Ų48.30%028%0.28CS..THydrogen-bonded Turntrans79.8-1.1-174.200000114.8F308 R325 L376 S378 T379G306-F308 PolarHBondContact O-N 3.11Å; G306-R325 PolarHBondContact N-O 3.06Å; G306-L376 WeakPolarHBondContact CA-O 3.24Å; G306-S378 WeakPolarHBondContact CA-OG 3.41Å; G306-S378 PolarHBondContact O-N 3.28Å; G306-S378 PolarHBondContact O-OG 2.63Å; G306-T379 PolarHBondContact O-N 2.76Å
307T97.1Very high95.4Very high4 Ų454.4 Ų54.43%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-68.9127170.5-51.30000110L300 K303 P304 E305 F324 R325 T379 L381L300-T307 HydrophobicContact CD2-CG2 3.79Å; K303-T307 HydrophobicContact CB-CG2 4Å; K303-T307 HydrophobicContact CG-CG2 4.13Å; P304-T307 WeakPolarHBondContact CD-OG1 3.4Å; P304-T307 WeakPolarHBondContact CG-OG1 2.97Å; P304-T307 WeakPolarHBondContact O-CB 3.33Å; P304-T307 PolarHBondContact O-N 3.45Å; P304-T307 PolarHBondContact O-OG1 3.09Å; E305-T307 VanDerWaalsContact C-N 3.25Å; E305-T307 PolarHBondContact O-N 2.78Å; T307-F324 CarbonylContact O-C 3.6Å; T307-F324 VanDerWaalsContact O-CA 3.28Å; T307-F324 WeakPolarHBondContact O-CA 3.28Å; T307-R325 PolarHBondContact O-N 3.35Å; T307-T379 CarbonylContact C-O 3.55Å; T307-T379 VanDerWaalsContact CA-O 3.3Å; T307-T379 WeakPolarHBondContact CA-O 3.37Å; T307-L381 HydrophobicContact CG2-CB 4.13Å; T307-L381 HydrophobicContact CG2-CD1 4.21Å
308F97.7Very high95.2Very high13 Ų1354.4 Ų54.46%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-140.8163-178.381.8-78000114.2C286 G306 V322 S323 F324 L361 L377 T379 P380 L381C286-F308 HydrophobicContact CB-CE2 4.19Å; C286-F308 HydrophobicContact CB-CZ 4.33Å; G306-F308 PolarHBondContact O-N 3.11Å; F308-V322 HydrophobicContact CB-CG1 4.33Å; F308-V322 HydrophobicContact CD2-CG1 4.01Å; F308-S323 CarbonylContact C-O 3.47Å; F308-S323 VanDerWaalsContact CA-O 3.25Å; F308-S323 WeakPolarHBondContact CA-O 3.28Å; F308-F324 HydrophobicContact CB-CB 3.67Å; F308-L361 HydrophobicContact CE2-CD2 4.19Å; F308-L377 HydrophobicContact CB-CD2 3.66Å; F308-L377 VanDerWaalsContact CD1-C 3.45Å; F308-L377 HydrophobicContact CD1-CB 3.77Å; F308-L377 HydrophobicContact CD1-CD2 4.49Å; F308-L377 WeakPolarHBondContact CD1-O 3.21Å; F308-L377 HydrophobicContact CD2-CB 4.15Å; F308-L377 HydrophobicContact CD2-CD2 4.03Å; F308-L377 HydrophobicContact CD2-CG 4.47Å; F308-L377 HydrophobicContact CE1-CB 3.93Å; F308-L377 WeakPolarHBondContact CE1-O 3.3Å; F308-L377 HydrophobicContact CE2-CB 4.28Å; F308-L377 HydrophobicContact CG-CB 3.88Å; F308-L377 HydrophobicContact CG-CD2 3.82Å; F308-L377 HydrophobicContact CG-CG 4.39Å; F308-L377 HydrophobicContact CZ-CB 4.17Å; F308-T379 WeakPolarHBondContact CD1-O 3.45Å; F308-T379 PolarHBondContact N-O 3.4Å; F308-P380 HydrophobicContact CE1-CB 3.81Å; F308-P380 HydrophobicContact CE1-CG 4.47Å; F308-P380 HydrophobicContact CZ-CB 3.95Å; F308-L381 WeakPolarHBondContact O-CB 3.41Å; F308-L381 PolarHBondContact O-N 3.29Å
309L97.9Very high95.1Very high0 Ų053.3 Ų53.30%030%0.295CS..EExtended strand (participates in β ladder)trans-143.4147.1168.963.392000111M291 A296 L299 L300 R311 V322 S323 L381M291-L309 HydrophobicContact SD-CD1 3.97Å; M291-L309 HydrophobicContact SD-CD2 4.47Å; A296-L309 HydrophobicContact CB-CD1 4.07Å; A296-L309 HydrophobicContact CB-CD2 4.26Å; L299-L309 HydrophobicContact CB-CD2 4.36Å; L299-L309 HydrophobicContact CD1-CD2 4.47Å; L300-L309 HydrophobicContact CD1-CD2 4.43Å; L300-L309 HydrophobicContact CD2-CD2 4.48Å; L300-L309 HydrophobicContact CG-CD2 4.25Å; L309-R311 HydrophobicContact CD1-CB 4.02Å; L309-R311 HydrophobicContact CD1-CG 3.91Å; L309-V322 WeakPolarHBondContact O-CA 3.3Å; L309-S323 PolarHBondContact N-O 2.86Å; L309-S323 PolarHBondContact O-N 3.36Å; L309-L381 HydrophobicContact CB-CB 4.39Å; L309-L381 HydrophobicContact CD2-CD2 3.91Å
310L98.1Very high95.1Very high1 Ų150.7 Ų50.71%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-94136.9168.6-175.972.2000109.1I281 C286 Y287 W288 F320 V322 I335 I357 L361I281-L310 HydrophobicContact CG1-CD2 4.44Å; I281-L310 HydrophobicContact CG2-CD2 3.83Å; C286-L310 PolarHBondContact O-N 2.79Å; Y287-L310 WeakPolarHBondContact CA-O 3.26Å; Y287-L310 HydrophobicContact CD2-CB 4.3Å; Y287-L310 HydrophobicContact CD2-CD2 3.83Å; Y287-L310 HydrophobicContact CD2-CG 3.93Å; Y287-L310 HydrophobicContact CG-CD2 4.44Å; W288-L310 PolarHBondContact N-O 3.1Å; L310-F320 HydrophobicContact CD1-CB 4.13Å; L310-V322 HydrophobicContact CD1-CG2 3.83Å; L310-I335 HydrophobicContact CD1-CD1 3.74Å; L310-I357 HydrophobicContact CD2-CG2 4.29Å; L310-L361 HydrophobicContact CD2-CD1 4.18Å
311R97.6Very high95.1Very high9 Ų950.8 Ų50.83%0.03428%0.283CS..EExtended strand (participates in β ladder)trans-146.4165.8175.356.9175.8-173.173.210.1110.8G289 M291 L309 F320 S321 S323G289-R311 WeakPolarHBondContact O-CB 3.28Å; M291-R311 HydrophobicContact CB-CB 3.98Å; M291-R311 WeakPolarHBondContact O-CD 3.5Å; M291-R311 PolarHBondContact O-NH1 2.91Å; L309-R311 HydrophobicContact CD1-CB 4.02Å; L309-R311 HydrophobicContact CD1-CG 3.91Å; R311-F320 CarbonylContact O-C 3.6Å; R311-F320 WeakPolarHBondContact O-CA 3.32Å; R311-S321 VanDerWaalsContact CG-O 3.3Å; R311-S321 WeakPolarHBondContact CG-O 3.28Å; R311-S321 PolarHBondContact N-O 2.88Å; R311-S321 VanDerWaalsContact N-O 3.15Å; R311-S321 PolarHBondContact O-N 3.26Å; R311-S323 PolarHBondContact NE-OG 3.37Å; R311-S323 PolarHBondContact NH2-OG 2.95Å
312D97.1Very high95.1Very high12 Ų1243.8 Ų43.86%0.06425%0.25CC..EExtended strand (participates in β ladder)trans-66.9149.5171.7-56.7-15.9000109.6Y287 G289 V290 L319 F320 Y422Y287-D312 VanDerWaalsContact CE2-OD1 3.24Å; Y287-D312 WeakPolarHBondContact CE2-OD1 3.5Å; Y287-D312 PolarHBondContact OH-OD1 3.2Å; G289-D312 PolarHBondContact O-N 3.32Å; V290-D312 VanDerWaalsContact CG2-OD2 3.29Å; V290-D312 WeakPolarHBondContact CG2-OD2 3.47Å; V290-D312 PolarHBondContact N-OD2 2.78Å; D312-L319 CarbonylContact C-O 3.45Å; D312-L319 VanDerWaalsContact CA-O 3.3Å; D312-L319 WeakPolarHBondContact CA-O 3.37Å; D312-F320 WeakPolarHBondContact OD1-CE1 3.39Å; D312-Y422 PolarHBondContact OD2-OH 3.43Å
313S96.1Very high95.3Very high26 Ų2640.5 Ų40.518%0.18222%0.216CC..  trans-79.1155.2175.4-146.40000111.8Q315 Y318 L319 S321S313-Q315 VanDerWaalsContact C-N 3.34Å; S313-Y318 WeakPolarHBondContact CB-O 3.33Å; S313-L319 PolarHBondContact N-O 2.72Å; S313-S321 WeakPolarHBondContact CB-OG 3.44Å; S313-S321 PolarHBondContact OG-OG 3.4Å
314A92.1Very high95.4Very high80 Ų8037 Ų3766%0.66120%0.201SC*.SBendtrans-92.44172.300000112.6
315Q92.4Very high95.4Very high76 Ų7634.7 Ų34.736%0.35518%0.181SC..SBendtrans-106.1146.9175.2-58.8-164.7145.400110.5S313 D317 Y318 R334S313-Q315 VanDerWaalsContact C-N 3.34Å; Q315-D317 VanDerWaalsContact C-N 3.33Å; Q315-D317 PolarHBondContact O-N 3.36Å; Q315-Y318 HydrophobicContact CB-CD2 4.06Å; Q315-Y318 PolarHBondContact O-N 2.92Å; Q315-Y318 VanDerWaalsContact O-O 3.13Å; Q315-R334 VanDerWaalsContact CD-CZ 3.46Å
316E87.9Confident95.4Very high147 Ų14731.8 Ų31.869%0.68717%0.166SC*.THydrogen-bonded Turntrans-80.8-13.8-169.5-57.1-178.1-17700113.5R26R26-E316 IonicContact CZ-OE1 2.62Å; R26-E316 IonicContact NH1-OE1 2.7Å; R26-E316 PolarHBondContact NH1-OE1 3.49Å; R26-E316 VanDerWaalsContact NH1-OE1 3.09Å; R26-E316 IonicContact NH2-OE1 2.71Å; R26-E316 PolarHBondContact NH2-OE1 3.02Å
317D89.5Confident95.3Very high129 Ų12937.6 Ų37.669%0.6919%0.189SC*.THydrogen-bonded Turntrans-92.5-5.9176.8-60.6-61.9000114.3Q315Q315-D317 VanDerWaalsContact C-N 3.33Å; Q315-D317 PolarHBondContact O-N 3.36Å
318Y93.8Very high95.1Very high55 Ų5541.9 Ų41.922%0.21622%0.219CC..  trans-130.9124.5-173.7-62.1-98000110.5S313 Q315 R334 E336S313-Y318 WeakPolarHBondContact CB-O 3.33Å; Q315-Y318 HydrophobicContact CB-CD2 4.06Å; Q315-Y318 PolarHBondContact O-N 2.92Å; Q315-Y318 VanDerWaalsContact O-O 3.13Å; Y318-R334 HydrophobicContact CD1-CB 3.67Å; Y318-R334 HydrophobicContact CD1-CG 4.35Å; Y318-R334 HydrophobicContact CE1-CB 3.83Å; Y318-R334 HydrophobicContact CE1-CG 4.48Å; Y318-R334 HydrophobicContact CG-CB 4.36Å; Y318-E336 HydrophobicContact CE1-CG 3.97Å; Y318-E336 VanDerWaalsContact CE1-OE1 3.28Å; Y318-E336 WeakPolarHBondContact CE1-OE1 3.48Å; Y318-E336 PolarHBondContact OH-OE1 3.23Å; Y318-E336 VanDerWaalsContact OH-OE1 3.1Å
319L94.8Very high94.9Very high42 Ų4249.9 Ų49.922%0.2225%0.249CC..SBendtrans-71.6-43.1178-63.9-178.8000112.2V275 D312 S313 Y422V275-L319 HydrophobicContact CG2-CD1 3.24Å; D312-L319 CarbonylContact C-O 3.45Å; D312-L319 VanDerWaalsContact CA-O 3.3Å; D312-L319 WeakPolarHBondContact CA-O 3.37Å; S313-L319 PolarHBondContact N-O 2.72Å; L319-Y422 HydrophobicContact CD2-CD1 4.46Å
320F97.1Very high94.9Very high3 Ų351.6 Ų51.61%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-130.4158.7-169.5-57.1-68.4000113.2V275 L278 I281 Y287 L310 R311 D312 I335 I357 Y422V275-F320 HydrophobicContact CG1-CE2 4.18Å; V275-F320 HydrophobicContact CG2-CE2 4.06Å; L278-F320 HydrophobicContact CD1-CZ 4.13Å; I281-F320 HydrophobicContact CD1-CD2 4.48Å; I281-F320 HydrophobicContact CD1-CE2 3.81Å; I281-F320 HydrophobicContact CD1-CZ 3.84Å; Y287-F320 HydrophobicContact CE2-CD1 4.11Å; Y287-F320 AromaticContact CE2-CE1 3.86Å; Y287-F320 HydrophobicContact CE2-CE1 3.86Å; L310-F320 HydrophobicContact CD1-CB 4.13Å; R311-F320 CarbonylContact O-C 3.6Å; R311-F320 WeakPolarHBondContact O-CA 3.32Å; D312-F320 WeakPolarHBondContact OD1-CE1 3.39Å; F320-I335 HydrophobicContact CB-CB 4.4Å; F320-I335 HydrophobicContact CB-CD1 4.1Å; F320-I335 HydrophobicContact CB-CG1 4.42Å; F320-I335 PolarHBondContact O-N 3Å; F320-I357 HydrophobicContact CD2-CD1 3.39Å; F320-I357 HydrophobicContact CE2-CD1 3.69Å; F320-I357 HydrophobicContact CG-CD1 4.42Å; F320-Y422 HydrophobicContact CE1-CD1 4.26Å; F320-Y422 HydrophobicContact CE1-CE1 4.06Å; F320-Y422 AromaticContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CE1 4.24Å
321S97.3Very high94.8Very high3 Ų354.6 Ų54.62%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-149.2134.2170.9-59.50000110.2R311 S313 A333R311-S321 VanDerWaalsContact CG-O 3.3Å; R311-S321 WeakPolarHBondContact CG-O 3.28Å; R311-S321 PolarHBondContact N-O 2.88Å; R311-S321 VanDerWaalsContact N-O 3.15Å; R311-S321 PolarHBondContact O-N 3.26Å; S313-S321 WeakPolarHBondContact CB-OG 3.44Å; S313-S321 PolarHBondContact OG-OG 3.4Å; S321-A333 CarbonylContact C-O 3.58Å; S321-A333 VanDerWaalsContact CA-O 3.26Å; S321-A333 WeakPolarHBondContact CA-O 3.43Å; S321-A333 WeakPolarHBondContact CB-O 3.38Å
322V97.6Very high94.7Very high0 Ų057.3 Ų57.30%029%0.29CS..EExtended strand (participates in β ladder)trans-85.4135.4172.8-175.30000108.3F308 L309 L310 F324 H332 A333 I335 F344 L361 L377F308-V322 HydrophobicContact CB-CG1 4.33Å; F308-V322 HydrophobicContact CD2-CG1 4.01Å; L309-V322 WeakPolarHBondContact O-CA 3.3Å; L310-V322 HydrophobicContact CD1-CG2 3.83Å; V322-F324 HydrophobicContact CG1-CD1 4.45Å; V322-H332 CarbonylContact O-C 3.48Å; V322-H332 VanDerWaalsContact O-CA 3.28Å; V322-H332 WeakPolarHBondContact O-CA 3.39Å; V322-A333 PolarHBondContact N-O 3.48Å; V322-A333 PolarHBondContact O-N 2.94Å; V322-I335 HydrophobicContact CG2-CD1 4.07Å; V322-I335 HydrophobicContact CG2-CG1 4.31Å; V322-F344 HydrophobicContact CB-CE1 4.26Å; V322-F344 HydrophobicContact CB-CZ 4.46Å; V322-F344 HydrophobicContact CG2-CE1 3.82Å; V322-F344 HydrophobicContact CG2-CZ 3.89Å; V322-L361 HydrophobicContact CG2-CD2 3.64Å; V322-L377 HydrophobicContact CG1-CD1 4.17Å; V322-L377 HydrophobicContact CG1-CD2 3.51Å
323S97.9Very high94.7Very high0 Ų057.5 Ų57.50%029%0.293CS..EExtended strand (participates in β ladder)trans-117.5124.7172-53.60000107.9F308 L309 R311 L331 H332F308-S323 CarbonylContact C-O 3.47Å; F308-S323 VanDerWaalsContact CA-O 3.25Å; F308-S323 WeakPolarHBondContact CA-O 3.28Å; L309-S323 PolarHBondContact N-O 2.86Å; L309-S323 PolarHBondContact O-N 3.36Å; R311-S323 PolarHBondContact NE-OG 3.37Å; R311-S323 PolarHBondContact NH2-OG 2.95Å; S323-L331 WeakPolarHBondContact CA-O 3.41Å; S323-H332 VanDerWaalsContact CB-ND1 3.34Å; S323-H332 WeakPolarHBondContact CB-ND1 3.42Å; S323-H332 PolarHBondContact OG-ND1 3.31Å
324F97.1Very high94.7Very high11 Ų1161.6 Ų61.65%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-141.9163.4-170.466.3-81.4000111.5T307 F308 V322 R326 L331 A333 P375 L377T307-F324 CarbonylContact O-C 3.6Å; T307-F324 VanDerWaalsContact O-CA 3.28Å; T307-F324 WeakPolarHBondContact O-CA 3.28Å; F308-F324 HydrophobicContact CB-CB 3.67Å; V322-F324 HydrophobicContact CG1-CD1 4.45Å; F324-R326 HydrophobicContact CD2-CB 4.16Å; F324-R326 HydrophobicContact CE2-CB 4Å; F324-L331 HydrophobicContact CD1-CB 4.32Å; F324-L331 HydrophobicContact CD2-CB 4.35Å; F324-L331 HydrophobicContact CE1-CB 3.85Å; F324-L331 HydrophobicContact CE2-CB 3.89Å; F324-L331 HydrophobicContact CE2-CD1 3.8Å; F324-L331 HydrophobicContact CE2-CG 4.44Å; F324-L331 HydrophobicContact CZ-CB 3.61Å; F324-L331 HydrophobicContact CZ-CD1 3.96Å; F324-L331 HydrophobicContact CZ-CG 4.45Å; F324-L331 PolarHBondContact N-O 3.37Å; F324-L331 PolarHBondContact O-N 3.06Å; F324-A333 HydrophobicContact CE1-CB 4.17Å; F324-P375 HydrophobicContact CD1-CB 4.18Å; F324-P375 HydrophobicContact CE1-CB 3.87Å; F324-P375 HydrophobicContact CE1-CG 4.16Å; F324-P375 HydrophobicContact CE2-CB 4.36Å; F324-P375 HydrophobicContact CZ-CB 3.97Å; F324-P375 HydrophobicContact CZ-CG 4.29Å; F324-L377 HydrophobicContact CB-CD2 3.85Å; F324-L377 HydrophobicContact CD1-CD2 4.43Å; F324-L377 HydrophobicContact CG-CD2 4.15Å
325R96.2Very high94.9Very high37 Ų3758.2 Ų58.214%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-112.8119.5-179.4-174.9160.5174.9108.55.2111.3L300 K303 E305 G306 T307 R329L300-R325 WeakPolarHBondContact O-CD 3.31Å; L300-R325 PolarHBondContact O-NH1 3.22Å; K303-R325 WeakPolarHBondContact O-CD 3.24Å; K303-R325 PolarHBondContact O-NE 2.86Å; E305-R325 WeakPolarHBondContact CA-O 3.48Å; G306-R325 PolarHBondContact N-O 3.06Å; T307-R325 PolarHBondContact O-N 3.35Å; R325-R329 WeakPolarHBondContact CA-O 3.31Å
326R93.9Very high95Very high19 Ų1956.3 Ų56.37%0.07227%0.266CS..EExtended strand (participates in β ladder)trans-145.2146.3178.4-152.1179.9-174.8173.81.4110.7E305 F324 S328 R329 L331 C370 M371 F372 E374E305-R326 HydrophobicContact CG-CG 4.24Å; E305-R326 WeakPolarHBondContact OE1-CG 3.4Å; F324-R326 HydrophobicContact CD2-CB 4.16Å; F324-R326 HydrophobicContact CE2-CB 4Å; R326-S328 PolarHBondContact O-N 3.13Å; R326-R329 PolarHBondContact N-O 3.32Å; R326-R329 PolarHBondContact O-N 2.85Å; R326-R329 VanDerWaalsContact O-O 3.07Å; R326-L331 HydrophobicContact CB-CD1 4.02Å; R326-C370 PolarHBondContact NH2-O 3.07Å; R326-M371 PolarHBondContact NH1-O 3.45Å; R326-M371 PolarHBondContact NH2-O 3.23Å; R326-F372 PolarHBondContact NH1-O 3.43Å; R326-E374 PolarHBondContact NH1-O 3.38Å
327Y93Very high95.2Very high122 Ų12251.4 Ų51.448%0.47824%0.243SC..THydrogen-bonded Turntrans50.940.9-176.2-51.1-60.8000113.3E305 R329 F372E305-Y327 VanDerWaalsContact CD-N 3.28Å; E305-Y327 PolarHBondContact OE1-N 3.28Å; E305-Y327 WeakPolarHBondContact OE2-CA 3.42Å; E305-Y327 PolarHBondContact OE2-N 2.85Å; Y327-R329 PolarHBondContact O-N 3.11Å; Y327-R329 VanDerWaalsContact O-N 3.11Å; Y327-F372 WeakPolarHBondContact OH-CA 3.4Å; Y327-F372 WeakPolarHBondContact OH-CB 3.44Å; Y327-F372 PolarHBondContact OH-O 3.47Å
328S92.1Very high95.2Very high94 Ų9451.3 Ų51.366%0.65723%0.233SC*.THydrogen-bonded Turntrans56.514.2-172-64.50000116.5R326R326-S328 PolarHBondContact O-N 3.13Å
329R94.6Very high94.9Very high182 Ų18253 Ų5369%0.68725%0.246SC*.EExtended strand (participates in β ladder)trans-112.7150.1177.8-65.5172.9-177.8-102-0.3111R325 R326 Y327 L331R325-R329 WeakPolarHBondContact CA-O 3.31Å; R326-R329 PolarHBondContact N-O 3.32Å; R326-R329 PolarHBondContact O-N 2.85Å; R326-R329 VanDerWaalsContact O-O 3.07Å; Y327-R329 PolarHBondContact O-N 3.11Å; Y327-R329 VanDerWaalsContact O-N 3.11Å; R329-L331 HydrophobicContact CB-CD2 4.48Å
330S96.8Very high94.7Very high36 Ų3655.1 Ų55.125%0.25226%0.255SS..EExtended strand (participates in β ladder)trans-81.8129164.6-58.10000108.7
331L96.3Very high94.5Very high63 Ų6356.9 Ų56.933%0.3326%0.264SS..EExtended strand (participates in β ladder)trans-126.7160.6-178.3-62.8178.2000109.9S323 F324 R326 R329S323-L331 WeakPolarHBondContact CA-O 3.41Å; F324-L331 HydrophobicContact CD1-CB 4.32Å; F324-L331 HydrophobicContact CD2-CB 4.35Å; F324-L331 HydrophobicContact CE1-CB 3.85Å; F324-L331 HydrophobicContact CE2-CB 3.89Å; F324-L331 HydrophobicContact CE2-CD1 3.8Å; F324-L331 HydrophobicContact CE2-CG 4.44Å; F324-L331 HydrophobicContact CZ-CB 3.61Å; F324-L331 HydrophobicContact CZ-CD1 3.96Å; F324-L331 HydrophobicContact CZ-CG 4.45Å; F324-L331 PolarHBondContact N-O 3.37Å; F324-L331 PolarHBondContact O-N 3.06Å; R326-L331 HydrophobicContact CB-CD1 4.02Å; R329-L331 HydrophobicContact CB-CD2 4.48Å
332H96.3Very high94.4Very high67 Ų6757.1 Ų57.131%0.3127%0.265SS..EExtended strand (participates in β ladder)trans-137132178.5-48.1-76.3000110.6E297 V322 S323E297-H332 IonicContact OE1-NE2 2.68Å; E297-H332 PolarHBondContact OE1-NE2 2.78Å; V322-H332 CarbonylContact O-C 3.48Å; V322-H332 VanDerWaalsContact O-CA 3.28Å; V322-H332 WeakPolarHBondContact O-CA 3.39Å; S323-H332 VanDerWaalsContact CB-ND1 3.34Å; S323-H332 WeakPolarHBondContact CB-ND1 3.42Å; S323-H332 PolarHBondContact OG-ND1 3.31Å
333A95.9Very high94.3Very high16 Ų1657.4 Ų57.413%0.13227%0.267CS..EExtended strand (participates in β ladder)trans-114.814216900000109.1S321 V322 F324 F344 P375S321-A333 CarbonylContact C-O 3.58Å; S321-A333 VanDerWaalsContact CA-O 3.26Å; S321-A333 WeakPolarHBondContact CA-O 3.43Å; S321-A333 WeakPolarHBondContact CB-O 3.38Å; V322-A333 PolarHBondContact N-O 3.48Å; V322-A333 PolarHBondContact O-N 2.94Å; F324-A333 HydrophobicContact CE1-CB 4.17Å; A333-F344 HydrophobicContact CB-CD1 3.45Å; A333-F344 VanDerWaalsContact CB-CD1 3.45Å; A333-F344 HydrophobicContact CB-CE1 3.73Å; A333-F344 HydrophobicContact CB-CG 4.16Å; A333-P375 HydrophobicContact CB-CG 3.85Å
334R96.3Very high94.1Very high111 Ų11158.9 Ų58.942%0.41927%0.273SS..EExtended strand (participates in β ladder)trans-94.2140.8176.3-62.2172.9-172.6159.7-3108Q315 Y318 E336 F344Q315-R334 VanDerWaalsContact CD-CZ 3.46Å; Y318-R334 HydrophobicContact CD1-CB 3.67Å; Y318-R334 HydrophobicContact CD1-CG 4.35Å; Y318-R334 HydrophobicContact CE1-CB 3.83Å; Y318-R334 HydrophobicContact CE1-CG 4.48Å; Y318-R334 HydrophobicContact CG-CB 4.36Å; R334-E336 PolarHBondContact O-N 2.89Å; R334-F344 WeakPolarHBondContact O-CD1 3.36Å
335I96.1Very high93.8Very high9 Ų961.7 Ų61.75%0.04629%0.289CS..  trans-87.2112.2173.4-57.6-175.2000107L310 F320 V322 F342 F344 I357 L360L310-I335 HydrophobicContact CD1-CD1 3.74Å; F320-I335 HydrophobicContact CB-CB 4.4Å; F320-I335 HydrophobicContact CB-CD1 4.1Å; F320-I335 HydrophobicContact CB-CG1 4.42Å; F320-I335 PolarHBondContact O-N 3Å; V322-I335 HydrophobicContact CG2-CD1 4.07Å; V322-I335 HydrophobicContact CG2-CG1 4.31Å; I335-F342 HydrophobicContact CG2-CB 3.87Å; I335-F342 HydrophobicContact CG2-CD1 4.02Å; I335-F342 HydrophobicContact CG2-CG 4.32Å; I335-F344 HydrophobicContact CG1-CD1 4.46Å; I335-F344 HydrophobicContact CG1-CE1 3.88Å; I335-I357 HydrophobicContact CD1-CD1 4.42Å; I335-I357 HydrophobicContact CD1-CG2 3.66Å; I335-I357 HydrophobicContact CG2-CD1 4.16Å; I335-I357 HydrophobicContact CG2-CG1 4.23Å; I335-L360 HydrophobicContact CD1-CD2 4.38Å; I335-L360 HydrophobicContact CG1-CD2 4.34Å; I335-L360 HydrophobicContact CG2-CD2 3.9Å
336E95Very high93.3Very high37 Ų3760.4 Ų60.417%0.17329%0.286CS..EExtended strand (participates in β ladder)trans-89.4167.1177.1-46.9-141131.100109.9Y318 R334 F342 S343 A346Y318-E336 HydrophobicContact CE1-CG 3.97Å; Y318-E336 VanDerWaalsContact CE1-OE1 3.28Å; Y318-E336 WeakPolarHBondContact CE1-OE1 3.48Å; Y318-E336 PolarHBondContact OH-OE1 3.23Å; Y318-E336 VanDerWaalsContact OH-OE1 3.1Å; R334-E336 PolarHBondContact O-N 2.89Å; E336-F342 WeakPolarHBondContact O-CA 3.45Å; E336-S343 PolarHBondContact N-O 3.04Å; E336-S343 PolarHBondContact O-N 3.15Å; E336-A346 HydrophobicContact CB-CB 3.45Å; E336-A346 VanDerWaalsContact CB-CB 3.45Å; E336-A346 HydrophobicContact CG-CB 4.39Å; E336-A346 WeakPolarHBondContact OE2-CB 3.37Å; E336-A346 PolarHBondContact OE2-N 3.04Å
337Q91.9Very high92.8Very high43 Ų4366.7 Ų66.720%0.20132%0.316CS..EExtended strand (participates in β ladder)trans-140.6126.1-177.9-174.1-77.9-61.100110.8H340 N341 F342 Y424Q337-H340 VanDerWaalsContact NE2-N 3.15Å; Q337-N341 WeakPolarHBondContact CA-O 3.37Å; Q337-F342 HydrophobicContact CB-CD1 3.96Å; Q337-F342 HydrophobicContact CB-CE1 4Å; Q337-F342 HydrophobicContact CG-CD1 3.97Å; Q337-F342 HydrophobicContact CG-CE1 3.68Å; Q337-F342 HydrophobicContact CG-CZ 4.33Å; Q337-Y424 HydrophobicContact CG-CD1 4.32Å; Q337-Y424 HydrophobicContact CG-CD2 3.71Å; Q337-Y424 HydrophobicContact CG-CE2 4.2Å; Q337-Y424 HydrophobicContact CG-CG 3.75Å
338W89.8Confident92.5Very high128 Ų12864.3 Ų64.349%0.48531%0.312SS..EExtended strand (participates in β ladder)trans-147.7142173.8-177.276.2000111.2H340 N341 A346W338-H340 PolarHBondContact O-N 2.01Å; W338-H340 VanDerWaalsContact O-N 3.09Å; W338-N341 PolarHBondContact N-O 3.17Å; W338-N341 WeakPolarHBondContact O-CA 3.39Å; W338-N341 PolarHBondContact O-N 2.9Å; W338-N341 VanDerWaalsContact O-O 3.1Å; W338-A346 HydrophobicContact CB-CB 3.92Å
339N87.4Confident92.1Very high90 Ų9065 Ų6548%0.48131%0.313SS..THydrogen-bonded Turntrans45.441.9-179-65.2-7000115.1N341N339-N341 PolarHBondContact O-N 2.92Å
340H90.2Very high91.6Very high87 Ų8761.9 Ų61.940%0.40332%0.318SS..THydrogen-bonded Turntrans644.9-175.4-56.9-87.6000116.4Q337 W338 Y424 S426Q337-H340 VanDerWaalsContact NE2-N 3.15Å; W338-H340 PolarHBondContact O-N 2.01Å; W338-H340 VanDerWaalsContact O-N 3.09Å; H340-Y424 AromaticContact ND1-CE2 3.54Å; H340-Y424 AromaticContact ND1-CZ 3.68Å; H340-Y424 PolarHBondContact ND1-OH 3.16Å; H340-S426 PolarHBondContact CE1-OG 3.2Å; H340-S426 PolarHBondContact NE2-OG 3.18Å
341N93.4Very high91.3Very high40 Ų4061.2 Ų61.221%0.21431%0.313CS..EExtended strand (participates in β ladder)trans-97.1161.5168.4-59.1-27.5000111.2Q337 W338 N339 H353 S354Q337-N341 WeakPolarHBondContact CA-O 3.37Å; W338-N341 PolarHBondContact N-O 3.17Å; W338-N341 WeakPolarHBondContact O-CA 3.39Å; W338-N341 PolarHBondContact O-N 2.9Å; W338-N341 VanDerWaalsContact O-O 3.1Å; N339-N341 PolarHBondContact O-N 2.92Å; N341-H353 HydrophobicContact CB-CB 4.07Å; N341-H353 PolarHBondContact ND2-CE1 3.4Å; N341-H353 PolarHBondContact ND2-ND1 3Å; N341-S354 CarbonylContact C-O 3.48Å; N341-S354 WeakPolarHBondContact CA-O 3.23Å
342F95.1Very high91.1Very high7 Ų761.8 Ų61.83%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-119.8141175.3-59.1-80.5000110.8P276 I335 E336 Q337 H353 S354 P355 I357 L360 Y424P276-F342 HydrophobicContact CG-CE2 4.2Å; I335-F342 HydrophobicContact CG2-CB 3.87Å; I335-F342 HydrophobicContact CG2-CD1 4.02Å; I335-F342 HydrophobicContact CG2-CG 4.32Å; E336-F342 WeakPolarHBondContact O-CA 3.45Å; Q337-F342 HydrophobicContact CB-CD1 3.96Å; Q337-F342 HydrophobicContact CB-CE1 4Å; Q337-F342 HydrophobicContact CG-CD1 3.97Å; Q337-F342 HydrophobicContact CG-CE1 3.68Å; Q337-F342 HydrophobicContact CG-CZ 4.33Å; F342-H353 CarbonylContact O-C 3.58Å; F342-H353 VanDerWaalsContact O-CA 3.29Å; F342-H353 WeakPolarHBondContact O-CA 3.43Å; F342-S354 PolarHBondContact N-O 3.39Å; F342-S354 PolarHBondContact O-N 2.96Å; F342-P355 WeakPolarHBondContact CD2-O 3.44Å; F342-P355 WeakPolarHBondContact CE2-O 3.5Å; F342-I357 HydrophobicContact CB-CG1 4.15Å; F342-I357 HydrophobicContact CD1-CD1 4.06Å; F342-I357 HydrophobicContact CD1-CG1 4.02Å; F342-I357 HydrophobicContact CD2-CG1 3.84Å; F342-I357 HydrophobicContact CE1-CD1 4.12Å; F342-I357 HydrophobicContact CE1-CG1 4.38Å; F342-I357 HydrophobicContact CE2-CG1 4.22Å; F342-I357 HydrophobicContact CG-CD1 4.29Å; F342-I357 HydrophobicContact CG-CG1 3.73Å; F342-I357 HydrophobicContact CZ-CD1 4.41Å; F342-I357 HydrophobicContact CZ-CG1 4.47Å; F342-L360 HydrophobicContact CB-CD2 4.27Å; F342-Y424 HydrophobicContact CE1-CD1 4.21Å; F342-Y424 AromaticContact CZ-CD1 3.88Å; F342-Y424 HydrophobicContact CZ-CD1 3.88Å; F342-Y424 AromaticContact CZ-CE1 3.84Å; F342-Y424 HydrophobicContact CZ-CE1 3.84Å
343S94.8Very high90.9Very high6 Ų662.7 Ų62.74%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-153.9178.5-179.1550000110.7E336 D345 F352E336-S343 PolarHBondContact N-O 3.04Å; E336-S343 PolarHBondContact O-N 3.15Å; S343-D345 WeakPolarHBondContact CB-O 3.34Å; S343-D345 VanDerWaalsContact OG-C 3.23Å; S343-D345 PolarHBondContact OG-O 3.17Å; S343-F352 WeakPolarHBondContact CB-O 3.48Å
344F94.1Very high90.9Very high32 Ų3262.5 Ų62.514%0.1432%0.315CS..SBendtrans-93.7-12.1172.5-67.3-62.1000114.1V322 A333 R334 I335 L360 Y364 P375 L377V322-F344 HydrophobicContact CB-CE1 4.26Å; V322-F344 HydrophobicContact CB-CZ 4.46Å; V322-F344 HydrophobicContact CG2-CE1 3.82Å; V322-F344 HydrophobicContact CG2-CZ 3.89Å; A333-F344 HydrophobicContact CB-CD1 3.45Å; A333-F344 VanDerWaalsContact CB-CD1 3.45Å; A333-F344 HydrophobicContact CB-CE1 3.73Å; A333-F344 HydrophobicContact CB-CG 4.16Å; R334-F344 WeakPolarHBondContact O-CD1 3.36Å; I335-F344 HydrophobicContact CG1-CD1 4.46Å; I335-F344 HydrophobicContact CG1-CE1 3.88Å; F344-L360 HydrophobicContact CD2-CD1 4.22Å; F344-L360 HydrophobicContact CE1-CD2 4.43Å; F344-L360 HydrophobicContact CE2-CD1 4.1Å; F344-L360 HydrophobicContact CE2-CD2 4.23Å; F344-L360 HydrophobicContact CE2-CG 4.01Å; F344-L360 HydrophobicContact CZ-CD2 4.17Å; F344-L360 HydrophobicContact CZ-CG 4.26Å; F344-Y364 AromaticContact CD2-CD2 3.83Å; F344-Y364 HydrophobicContact CD2-CD2 3.83Å; F344-Y364 AromaticContact CD2-CE2 3.63Å; F344-Y364 HydrophobicContact CD2-CE2 3.63Å; F344-Y364 AromaticContact CE2-CD2 3.46Å; F344-Y364 HydrophobicContact CE2-CD2 3.46Å; F344-Y364 VanDerWaalsContact CE2-CD2 3.46Å; F344-Y364 AromaticContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CG 4.09Å; F344-P375 HydrophobicContact CD1-CG 4.32Å; F344-P375 HydrophobicContact CD2-CG 3.66Å; F344-P375 HydrophobicContact CE1-CG 4.35Å; F344-P375 HydrophobicContact CE2-CB 4.19Å; F344-P375 HydrophobicContact CE2-CG 3.69Å; F344-P375 HydrophobicContact CG-CG 3.98Å; F344-P375 HydrophobicContact CZ-CB 4.42Å; F344-P375 HydrophobicContact CZ-CG 4.06Å; F344-L377 HydrophobicContact CZ-CD1 4.28Å
345D91.6Very high90.8Very high69 Ų6960.8 Ų60.837%0.36932%0.318SS..  trans-138.8123.8163.4-172.2-53.5000106.6S343 H347 D348 V351S343-D345 WeakPolarHBondContact CB-O 3.34Å; S343-D345 VanDerWaalsContact OG-C 3.23Å; S343-D345 PolarHBondContact OG-O 3.17Å; D345-H347 WeakPolarHBondContact OD1-CA 3.49Å; D345-H347 PolarHBondContact OD1-N 3.17Å; D345-D348 PolarHBondContact OD1-N 2.9Å; D345-V351 HydrophobicContact CB-CB 4.49Å; D345-V351 HydrophobicContact CB-CG1 4.41Å; D345-V351 HydrophobicContact CB-CG2 4.22Å
346A85.4Confident90.7Very high10 Ų1062.8 Ų62.88%0.08333%0.329CS..SBendtrans-93.66.8-178.200000113.9E336 W338E336-A346 HydrophobicContact CB-CB 3.45Å; E336-A346 VanDerWaalsContact CB-CB 3.45Å; E336-A346 HydrophobicContact CG-CB 4.39Å; E336-A346 WeakPolarHBondContact OE2-CB 3.37Å; E336-A346 PolarHBondContact OE2-N 3.04Å; W338-A346 HydrophobicContact CB-CB 3.92Å
347H82.1Confident90.7Very high152 Ų15261 Ų6170%0.70432%0.321SS*.SBendtrans-122.3-23-174.6-65.8-14.5000113.1D345 P349D345-H347 WeakPolarHBondContact OD1-CA 3.49Å; D345-H347 PolarHBondContact OD1-N 3.17Å; H347-P349 WeakPolarHBondContact O-CD 3.5Å
348D87.8Confident90.8Very high72 Ų7260.5 Ų60.539%0.38532%0.32SS..  trans-85.8112.1166.9-170.8-8.3000111.8D345 C350 V351D345-D348 PolarHBondContact OD1-N 2.9Å; D348-C350 PolarHBondContact O-N 3.25Å; D348-C350 VanDerWaalsContact OD1-CB 3.27Å; D348-C350 WeakPolarHBondContact OD1-CB 3.4Å; D348-C350 PolarHBondContact OD1-N 3.28Å; D348-V351 HydrophobicContact CB-CB 4.47Å; D348-V351 HydrophobicContact CB-CG2 3.91Å; D348-V351 PolarHBondContact O-N 3.32Å
349P82.8Confident91Very high107 Ų10755.5 Ų55.570%0.69531%0.309SS*.THydrogen-bonded Turntrans-72.7-7.1177.133.1-37.2000114H347H347-P349 WeakPolarHBondContact O-CD 3.5Å
350C85.2Confident91.3Very high117 Ų11751.2 Ų51.279%0.79129%0.286SS*.THydrogen-bonded Turntrans-85.7-13.7173.8-64.10000112.9D348D348-C350 PolarHBondContact O-N 3.25Å; D348-C350 VanDerWaalsContact OD1-CB 3.27Å; D348-C350 WeakPolarHBondContact OD1-CB 3.4Å; D348-C350 PolarHBondContact OD1-N 3.28Å
351V90.1Very high91.6Very high23 Ų2347.6 Ų47.614%0.13927%0.269CS..SBendtrans-80.5139.3175.9172.30000110.2D345 D348 H353D345-V351 HydrophobicContact CB-CB 4.49Å; D345-V351 HydrophobicContact CB-CG1 4.41Å; D345-V351 HydrophobicContact CB-CG2 4.22Å; D348-V351 HydrophobicContact CB-CB 4.47Å; D348-V351 HydrophobicContact CB-CG2 3.91Å; D348-V351 PolarHBondContact O-N 3.32Å; V351-H353 PolarHBondContact O-N 3.22Å
352F91.2Very high91.6Very high74 Ų7451.5 Ų51.533%0.32529%0.286SS..  trans-62.6133.6-178.6179.9-95.3000112.1S343 L360 H363 Y364S343-F352 WeakPolarHBondContact CB-O 3.48Å; F352-L360 HydrophobicContact CD1-CD1 4.05Å; F352-L360 HydrophobicContact CE1-CD1 4.5Å; F352-H363 HydrophobicContact CD1-CB 3.62Å; F352-H363 AromaticContact CD1-CD2 3.55Å; F352-H363 AromaticContact CD1-CG 3.41Å; F352-H363 VanDerWaalsContact CD1-CG 3.41Å; F352-H363 AromaticContact CD1-ND1 3.9Å; F352-H363 AromaticContact CD2-CE1 3.5Å; F352-H363 VanDerWaalsContact CD2-CE1 3.5Å; F352-H363 WeakPolarHBondContact CD2-CE1 3.4Å; F352-H363 AromaticContact CD2-CG 3.93Å; F352-H363 AromaticContact CD2-ND1 3.54Å; F352-H363 AromaticContact CD2-NE2 3.86Å; F352-H363 HydrophobicContact CE1-CB 3.37Å; F352-H363 AromaticContact CE1-CG 3.56Å; F352-H363 AromaticContact CE1-ND1 3.93Å; F352-H363 AromaticContact CE2-CE1 3.96Å; F352-H363 AromaticContact CE2-ND1 3.57Å; F352-H363 HydrophobicContact CG-CB 4.32Å; F352-H363 AromaticContact CG-CD2 3.5Å; F352-H363 AromaticContact CG-CE1 3.67Å; F352-H363 AromaticContact CG-CG 3.6Å; F352-H363 AromaticContact CG-ND1 3.71Å; F352-H363 AromaticContact CG-NE2 3.56Å; F352-H363 HydrophobicContact CZ-CB 3.89Å; F352-H363 AromaticContact CZ-CG 3.88Å; F352-H363 AromaticContact CZ-ND1 3.77Å; F352-Y364 HydrophobicContact CB-CE2 4.28Å; F352-Y364 HydrophobicContact CD1-CE2 4.33Å
353H93.8Very high91.5Very high87 Ų8754.7 Ų54.740%0.40330%0.301SS..  trans-129.5144.9178.76743.1000112.1N341 F342 V351N341-H353 HydrophobicContact CB-CB 4.07Å; N341-H353 PolarHBondContact ND2-CE1 3.4Å; N341-H353 PolarHBondContact ND2-ND1 3Å; F342-H353 CarbonylContact O-C 3.58Å; F342-H353 VanDerWaalsContact O-CA 3.29Å; F342-H353 WeakPolarHBondContact O-CA 3.43Å; V351-H353 PolarHBondContact O-N 3.22Å
354S94.3Very high91.4Very high12 Ų1254.5 Ų54.58%0.08430%0.3CS..BIsolated β-bridgetrans-132.5144.8-178.2-171.10000111.3N341 F342 D356N341-S354 CarbonylContact C-O 3.48Å; N341-S354 WeakPolarHBondContact CA-O 3.23Å; F342-S354 PolarHBondContact N-O 3.39Å; F342-S354 PolarHBondContact O-N 2.96Å; S354-D356 VanDerWaalsContact CB-O 3.32Å; S354-D356 WeakPolarHBondContact CB-O 3.28Å; S354-D356 PolarHBondContact O-N 3.34Å; S354-D356 PolarHBondContact OG-O 3.03Å; S354-D356 VanDerWaalsContact OG-O 3.09Å
355P94.1Very high91.3Very high74 Ų7457.2 Ų57.248%0.48131%0.311SS..SBendtrans-66.6-20.4173.728.8-36.4000113.3F342F342-P355 WeakPolarHBondContact CD2-O 3.44Å; F342-P355 WeakPolarHBondContact CE2-O 3.5Å
356D94.6Very high91.2Very high51 Ų5158.2 Ų58.227%0.27332%0.316SS..SBendtrans-123148.8179.7-66.9-55.8000111P276 D277 S354 G359 L360P276-D356 WeakPolarHBondContact CG-OD1 3.37Å; D277-D356 HydrophobicContact CB-CB 4.14Å; S354-D356 VanDerWaalsContact CB-O 3.32Å; S354-D356 WeakPolarHBondContact CB-O 3.28Å; S354-D356 PolarHBondContact O-N 3.34Å; S354-D356 PolarHBondContact OG-O 3.03Å; S354-D356 VanDerWaalsContact OG-O 3.09Å; D356-G359 PolarHBondContact O-N 3.26Å; D356-L360 PolarHBondContact O-N 3.34Å
357I94.8Very high91.2Very high1 Ų161.8 Ų61.81%0.00534%0.339CS..Hα-helixtrans-74.1-32.9179.9-69.6178.5000111.1V275 D277 I281 L310 F320 I335 F342 G359 L360 L361V275-I357 HydrophobicContact CG1-CD1 4.3Å; D277-I357 WeakPolarHBondContact OD2-CA 3.11Å; D277-I357 WeakPolarHBondContact OD2-CB 3.37Å; D277-I357 PolarHBondContact OD2-N 3.14Å; I281-I357 HydrophobicContact CD1-CB 3.99Å; I281-I357 HydrophobicContact CD1-CD1 4.02Å; I281-I357 HydrophobicContact CD1-CG2 4.07Å; I281-I357 HydrophobicContact CG1-CB 4.43Å; I281-I357 HydrophobicContact CG1-CG2 4.37Å; L310-I357 HydrophobicContact CD2-CG2 4.29Å; F320-I357 HydrophobicContact CD2-CD1 3.39Å; F320-I357 HydrophobicContact CE2-CD1 3.69Å; F320-I357 HydrophobicContact CG-CD1 4.42Å; I335-I357 HydrophobicContact CD1-CD1 4.42Å; I335-I357 HydrophobicContact CD1-CG2 3.66Å; I335-I357 HydrophobicContact CG2-CD1 4.16Å; I335-I357 HydrophobicContact CG2-CG1 4.23Å; F342-I357 HydrophobicContact CB-CG1 4.15Å; F342-I357 HydrophobicContact CD1-CD1 4.06Å; F342-I357 HydrophobicContact CD1-CG1 4.02Å; F342-I357 HydrophobicContact CD2-CG1 3.84Å; F342-I357 HydrophobicContact CE1-CD1 4.12Å; F342-I357 HydrophobicContact CE1-CG1 4.38Å; F342-I357 HydrophobicContact CE2-CG1 4.22Å; F342-I357 HydrophobicContact CG-CD1 4.29Å; F342-I357 HydrophobicContact CG-CG1 3.73Å; F342-I357 HydrophobicContact CZ-CD1 4.41Å; F342-I357 HydrophobicContact CZ-CG1 4.47Å; I357-G359 VanDerWaalsContact C-N 3.31Å; I357-G359 PolarHBondContact O-N 3.47Å; I357-L360 PolarHBondContact O-N 3.08Å; I357-L361 HydrophobicContact CG2-CD1 4.39Å; I357-L361 HydrophobicContact CG2-CG 4.49Å; I357-L361 WeakPolarHBondContact O-CG 3.41Å; I357-L361 PolarHBondContact O-N 3.19Å
358T94.3Very high91.1Very high31 Ų3160.2 Ų60.219%0.1935%0.345CS..Hα-helixtrans-57-43.2169.949.50000112.3D277 Q280 L361 E362D277-T358 PolarHBondContact OD2-N 2.96Å; Q280-T358 HydrophobicContact CB-CG2 3.78Å; Q280-T358 PolarHBondContact OE1-OG1 2.7Å; T358-L361 PolarHBondContact O-N 3.39Å; T358-E362 PolarHBondContact O-N 3.06Å
359G93.9Very high90.6Very high24 Ų2459.4 Ų59.425%0.24735%0.348CS..Hα-helixtrans-66.2-38176.400000113.5D356 I357 E362 H363D356-G359 PolarHBondContact O-N 3.26Å; I357-G359 VanDerWaalsContact C-N 3.31Å; I357-G359 PolarHBondContact O-N 3.47Å; G359-E362 PolarHBondContact O-N 3.38Å; G359-H363 PolarHBondContact O-N 2.77Å; G359-H363 VanDerWaalsContact O-N 3.16Å
360L94.9Very high90.7Very high0 Ų054.8 Ų54.80%032%0.319CS..Hα-helixtrans-61.8-43.2172.3-178.863.6000111.8I335 F342 F344 F352 D356 I357 Y364I335-L360 HydrophobicContact CD1-CD2 4.38Å; I335-L360 HydrophobicContact CG1-CD2 4.34Å; I335-L360 HydrophobicContact CG2-CD2 3.9Å; F342-L360 HydrophobicContact CB-CD2 4.27Å; F344-L360 HydrophobicContact CD2-CD1 4.22Å; F344-L360 HydrophobicContact CE1-CD2 4.43Å; F344-L360 HydrophobicContact CE2-CD1 4.1Å; F344-L360 HydrophobicContact CE2-CD2 4.23Å; F344-L360 HydrophobicContact CE2-CG 4.01Å; F344-L360 HydrophobicContact CZ-CD2 4.17Å; F344-L360 HydrophobicContact CZ-CG 4.26Å; F352-L360 HydrophobicContact CD1-CD1 4.05Å; F352-L360 HydrophobicContact CE1-CD1 4.5Å; D356-L360 PolarHBondContact O-N 3.34Å; I357-L360 PolarHBondContact O-N 3.08Å; L360-Y364 HydrophobicContact CD1-CD2 4.03Å; L360-Y364 HydrophobicContact CD1-CE2 3.86Å; L360-Y364 WeakPolarHBondContact O-CD2 3.35Å
361L94.8Very high90.8Very high11 Ų1154.3 Ų54.36%0.05831%0.306CS..Hα-helixtrans-67.6-33.6177.7-67.2176000112.9F308 L310 V322 I357 T358 L377F308-L361 HydrophobicContact CE2-CD2 4.19Å; L310-L361 HydrophobicContact CD2-CD1 4.18Å; V322-L361 HydrophobicContact CG2-CD2 3.64Å; I357-L361 HydrophobicContact CG2-CD1 4.39Å; I357-L361 HydrophobicContact CG2-CG 4.49Å; I357-L361 WeakPolarHBondContact O-CG 3.41Å; I357-L361 PolarHBondContact O-N 3.19Å; T358-L361 PolarHBondContact O-N 3.39Å; L361-L377 HydrophobicContact CD2-CD1 3.62Å
362E93.8Very high90.5Very high121 Ų12160.2 Ų60.257%0.56533%0.33SS*.Hα-helixtrans-73.8-34.6179.7-177.5142.1-120.400112.9T358 G359 Y364 K365T358-E362 PolarHBondContact O-N 3.06Å; G359-E362 PolarHBondContact O-N 3.38Å; E362-Y364 PolarHBondContact O-N 3.38Å; E362-K365 HydrophobicContact CG-CD 4.38Å; E362-K365 WeakPolarHBondContact O-CB 3.12Å; E362-K365 PolarHBondContact O-N 3.29Å; E362-K365 IonicContact OE1-NZ 2.94Å; E362-K365 PolarHBondContact OE1-NZ 3.24Å
363H92.6Very high90.2Very high74 Ų7463 Ų6334%0.34334%0.342SS..Hα-helixtrans-59.5-45.9173.9-177.884.8000112.2F352 G359 K365F352-H363 HydrophobicContact CD1-CB 3.62Å; F352-H363 AromaticContact CD1-CD2 3.55Å; F352-H363 AromaticContact CD1-CG 3.41Å; F352-H363 VanDerWaalsContact CD1-CG 3.41Å; F352-H363 AromaticContact CD1-ND1 3.9Å; F352-H363 AromaticContact CD2-CE1 3.5Å; F352-H363 VanDerWaalsContact CD2-CE1 3.5Å; F352-H363 WeakPolarHBondContact CD2-CE1 3.4Å; F352-H363 AromaticContact CD2-CG 3.93Å; F352-H363 AromaticContact CD2-ND1 3.54Å; F352-H363 AromaticContact CD2-NE2 3.86Å; F352-H363 HydrophobicContact CE1-CB 3.37Å; F352-H363 AromaticContact CE1-CG 3.56Å; F352-H363 AromaticContact CE1-ND1 3.93Å; F352-H363 AromaticContact CE2-CE1 3.96Å; F352-H363 AromaticContact CE2-ND1 3.57Å; F352-H363 HydrophobicContact CG-CB 4.32Å; F352-H363 AromaticContact CG-CD2 3.5Å; F352-H363 AromaticContact CG-CE1 3.67Å; F352-H363 AromaticContact CG-CG 3.6Å; F352-H363 AromaticContact CG-ND1 3.71Å; F352-H363 AromaticContact CG-NE2 3.56Å; F352-H363 HydrophobicContact CZ-CB 3.89Å; F352-H363 AromaticContact CZ-CG 3.88Å; F352-H363 AromaticContact CZ-ND1 3.77Å; G359-H363 PolarHBondContact O-N 2.77Å; G359-H363 VanDerWaalsContact O-N 3.16Å; H363-K365 PolarHBondContact O-N 3Å; H363-K365 VanDerWaalsContact O-N 3.16Å
364Y93.4Very high89.9Confident3 Ų360 Ų601%0.01233%0.328CS..THydrogen-bonded Turntrans-81.815.1-176.1-76.6-67.2000115F344 F352 L360 E362 C370 E374 P375 L377F344-Y364 AromaticContact CD2-CD2 3.83Å; F344-Y364 HydrophobicContact CD2-CD2 3.83Å; F344-Y364 AromaticContact CD2-CE2 3.63Å; F344-Y364 HydrophobicContact CD2-CE2 3.63Å; F344-Y364 AromaticContact CE2-CD2 3.46Å; F344-Y364 HydrophobicContact CE2-CD2 3.46Å; F344-Y364 VanDerWaalsContact CE2-CD2 3.46Å; F344-Y364 AromaticContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CE2 3.79Å; F344-Y364 HydrophobicContact CE2-CG 4.09Å; F352-Y364 HydrophobicContact CB-CE2 4.28Å; F352-Y364 HydrophobicContact CD1-CE2 4.33Å; L360-Y364 HydrophobicContact CD1-CD2 4.03Å; L360-Y364 HydrophobicContact CD1-CE2 3.86Å; L360-Y364 WeakPolarHBondContact O-CD2 3.35Å; E362-Y364 PolarHBondContact O-N 3.38Å; Y364-C370 PolarHBondContact O-SG 3.44Å; Y364-E374 HydrophobicContact CD1-CB 4.18Å; Y364-E374 HydrophobicContact CE1-CB 3.72Å; Y364-E374 VanDerWaalsContact CE1-CD 3.46Å; Y364-E374 HydrophobicContact CE1-CG 4.03Å; Y364-E374 WeakPolarHBondContact CE1-OE1 3.43Å; Y364-E374 PolarHBondContact OH-OE1 3.01Å; Y364-P375 WeakPolarHBondContact CD1-O 3.33Å; Y364-L377 WeakPolarHBondContact O-CA 3.33Å; Y364-L377 WeakPolarHBondContact O-CB 3.39Å; Y364-L377 PolarHBondContact O-N 2.97Å
365K92.8Very high89.8Confident88 Ų8859.9 Ų59.938%0.38333%0.327SS..THydrogen-bonded Turntrans-82.7-37.9-178-177.7-177.1171.2-165.40113E362 H363 P367 S378E362-K365 HydrophobicContact CG-CD 4.38Å; E362-K365 WeakPolarHBondContact O-CB 3.12Å; E362-K365 PolarHBondContact O-N 3.29Å; E362-K365 IonicContact OE1-NZ 2.94Å; E362-K365 PolarHBondContact OE1-NZ 3.24Å; H363-K365 PolarHBondContact O-N 3Å; H363-K365 VanDerWaalsContact O-N 3.16Å; K365-P367 WeakPolarHBondContact O-CD 3.45Å; K365-S378 WeakPolarHBondContact O-CA 3.33Å; K365-S378 WeakPolarHBondContact O-CB 3.42Å
366D89.3Confident89.8Confident90 Ų9057 Ų5748%0.48131%0.308SS..  trans-88.5117.3-168.4-75.8-10.3000111.9S368 A369 C370D366-S368 PolarHBondContact O-N 2.92Å; D366-S368 VanDerWaalsContact O-N 3.09Å; D366-A369 HydrophobicContact CB-CB 4.46Å; D366-A369 PolarHBondContact O-N 3.11Å; D366-C370 PolarHBondContact O-N 2.96Å; D366-C370 PolarHBondContact O-SG 2.84Å
367P84Confident89.8Confident86 Ų8654.7 Ų54.756%0.55830%0.295SS*.THydrogen-bonded Turntrans-62.7-21.5-174.7-21.631.3000114.9K365 L376K365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-L376 HydrophobicContact CB-CD1 4.05Å; P367-L376 HydrophobicContact CG-CD1 4.11Å
368S81.6Confident89.7Confident119 Ų11956.6 Ų56.683%0.83231%0.309SS*.THydrogen-bonded Turntrans-79.1-15.9176.846.80000114D366D366-S368 PolarHBondContact O-N 2.92Å; D366-S368 VanDerWaalsContact O-N 3.09Å
369A76.8Confident89.8Confident54 Ų5458.1 Ų58.145%0.44632%0.318SS..THydrogen-bonded Turntrans-98.1-26.9176.900000112.7D366 M371D366-A369 HydrophobicContact CB-CB 4.46Å; D366-A369 PolarHBondContact O-N 3.11Å; A369-M371 PolarHBondContact O-N 3.16Å
370C85.7Confident89.9Confident11 Ų1159.8 Ų59.87%0.07432%0.324CS..  trans-82.6109-171-58.80000113.4R326 Y364 D366 L376R326-C370 PolarHBondContact NH2-O 3.07Å; Y364-C370 PolarHBondContact O-SG 3.44Å; D366-C370 PolarHBondContact O-N 2.96Å; D366-C370 PolarHBondContact O-SG 2.84Å; C370-L376 HydrophobicContact CB-CD1 4.13Å
371M87.4Confident90Very high106 Ų10661 Ų6152%0.52233%0.331SS..  trans-60.5161.3173.5-65.5-72.3-84.400111.8R326 A369 F373 E374R326-M371 PolarHBondContact NH1-O 3.45Å; R326-M371 PolarHBondContact NH2-O 3.23Å; A369-M371 PolarHBondContact O-N 3.16Å; M371-F373 HydrophobicContact CB-CD1 4.01Å; M371-F373 HydrophobicContact CB-CE1 3.53Å; M371-F373 HydrophobicContact CB-CE2 4.45Å; M371-F373 HydrophobicContact CB-CZ 3.78Å; M371-F373 HydrophobicContact CE-CE1 4.21Å; M371-F373 HydrophobicContact CG-CE1 4.19Å; M371-F373 HydrophobicContact CG-CZ 4.24Å; M371-F373 PolarHBondContact O-N 3.4Å; M371-F373 VanDerWaalsContact O-N 3.11Å; M371-E374 HydrophobicContact CB-CG 4.07Å; M371-E374 VanDerWaalsContact CB-OE2 3.3Å; M371-E374 WeakPolarHBondContact CB-OE2 3.35Å; M371-E374 PolarHBondContact N-OE2 3.09Å; M371-E374 PolarHBondContact O-N 3.23Å; M371-E374 VanDerWaalsContact O-N 3.09Å
372F83.3Confident90.2Very high148 Ų14865 Ų6565%0.64935%0.351SS*.THydrogen-bonded Turntrans-61.5-23.9-171.170.6-92.2000115.2R326 Y327R326-F372 PolarHBondContact NH1-O 3.43Å; Y327-F372 WeakPolarHBondContact OH-CA 3.4Å; Y327-F372 WeakPolarHBondContact OH-CB 3.44Å; Y327-F372 PolarHBondContact OH-O 3.47Å
373F83.6Confident90.3Very high131 Ų13161.5 Ų61.558%0.57533%0.333SS*.THydrogen-bonded Turntrans-89.9-14.2179.755-93.3000113.5M371M371-F373 HydrophobicContact CB-CD1 4.01Å; M371-F373 HydrophobicContact CB-CE1 3.53Å; M371-F373 HydrophobicContact CB-CE2 4.45Å; M371-F373 HydrophobicContact CB-CZ 3.78Å; M371-F373 HydrophobicContact CE-CE1 4.21Å; M371-F373 HydrophobicContact CG-CE1 4.19Å; M371-F373 HydrophobicContact CG-CZ 4.24Å; M371-F373 PolarHBondContact O-N 3.4Å; M371-F373 VanDerWaalsContact O-N 3.11Å
374E89.4Confident90.5Very high25 Ų2563.1 Ų63.112%0.11735%0.348CS..SBendtrans-85.5165.7-171.4-61.3-175.311300113.1R326 Y364 M371R326-E374 PolarHBondContact NH1-O 3.38Å; Y364-E374 HydrophobicContact CD1-CB 4.18Å; Y364-E374 HydrophobicContact CE1-CB 3.72Å; Y364-E374 VanDerWaalsContact CE1-CD 3.46Å; Y364-E374 HydrophobicContact CE1-CG 4.03Å; Y364-E374 WeakPolarHBondContact CE1-OE1 3.43Å; Y364-E374 PolarHBondContact OH-OE1 3.01Å; M371-E374 HydrophobicContact CB-CG 4.07Å; M371-E374 VanDerWaalsContact CB-OE2 3.3Å; M371-E374 WeakPolarHBondContact CB-OE2 3.35Å; M371-E374 PolarHBondContact N-OE2 3.09Å; M371-E374 PolarHBondContact O-N 3.23Å; M371-E374 VanDerWaalsContact O-N 3.09Å
375P90.3Very high90.5Very high9 Ų966.2 Ų66.26%0.05836%0.362CS..  trans-67.1135.2168.3-21.537.1000111.3F324 A333 F344 Y364 L377F324-P375 HydrophobicContact CD1-CB 4.18Å; F324-P375 HydrophobicContact CE1-CB 3.87Å; F324-P375 HydrophobicContact CE1-CG 4.16Å; F324-P375 HydrophobicContact CE2-CB 4.36Å; F324-P375 HydrophobicContact CZ-CB 3.97Å; F324-P375 HydrophobicContact CZ-CG 4.29Å; A333-P375 HydrophobicContact CB-CG 3.85Å; F344-P375 HydrophobicContact CD1-CG 4.32Å; F344-P375 HydrophobicContact CD2-CG 3.66Å; F344-P375 HydrophobicContact CE1-CG 4.35Å; F344-P375 HydrophobicContact CE2-CB 4.19Å; F344-P375 HydrophobicContact CE2-CG 3.69Å; F344-P375 HydrophobicContact CG-CG 3.98Å; F344-P375 HydrophobicContact CZ-CB 4.42Å; F344-P375 HydrophobicContact CZ-CG 4.06Å; Y364-P375 WeakPolarHBondContact CD1-O 3.33Å; P375-L377 HydrophobicContact CB-CD1 4.33Å; P375-L377 HydrophobicContact CB-CD2 3.82Å; P375-L377 HydrophobicContact CB-CG 4.04Å
376L93.9Very high90.7Very high14 Ų1467.4 Ų67.47%0.07338%0.379CS..  trans-108.8112171.217861000108.9E305 G306 P367 C370E305-L376 HydrophobicContact CG-CD2 4.17Å; G306-L376 WeakPolarHBondContact CA-O 3.24Å; P367-L376 HydrophobicContact CB-CD1 4.05Å; P367-L376 HydrophobicContact CG-CD1 4.11Å; C370-L376 HydrophobicContact CB-CD1 4.13Å
377L94.9Very high91.1Very high2 Ų264.8 Ų64.81%0.0136%0.363CS..  trans-12042.4-165.6-48.7-175.3000111.8F308 V322 F324 F344 L361 Y364 P375F308-L377 HydrophobicContact CB-CD2 3.66Å; F308-L377 VanDerWaalsContact CD1-C 3.45Å; F308-L377 HydrophobicContact CD1-CB 3.77Å; F308-L377 HydrophobicContact CD1-CD2 4.49Å; F308-L377 WeakPolarHBondContact CD1-O 3.21Å; F308-L377 HydrophobicContact CD2-CB 4.15Å; F308-L377 HydrophobicContact CD2-CD2 4.03Å; F308-L377 HydrophobicContact CD2-CG 4.47Å; F308-L377 HydrophobicContact CE1-CB 3.93Å; F308-L377 WeakPolarHBondContact CE1-O 3.3Å; F308-L377 HydrophobicContact CE2-CB 4.28Å; F308-L377 HydrophobicContact CG-CB 3.88Å; F308-L377 HydrophobicContact CG-CD2 3.82Å; F308-L377 HydrophobicContact CG-CG 4.39Å; F308-L377 HydrophobicContact CZ-CB 4.17Å; V322-L377 HydrophobicContact CG1-CD1 4.17Å; V322-L377 HydrophobicContact CG1-CD2 3.51Å; F324-L377 HydrophobicContact CB-CD2 3.85Å; F324-L377 HydrophobicContact CD1-CD2 4.43Å; F324-L377 HydrophobicContact CG-CD2 4.15Å; F344-L377 HydrophobicContact CZ-CD1 4.28Å; L361-L377 HydrophobicContact CD2-CD1 3.62Å; Y364-L377 WeakPolarHBondContact O-CA 3.33Å; Y364-L377 WeakPolarHBondContact O-CB 3.39Å; Y364-L377 PolarHBondContact O-N 2.97Å; P375-L377 HydrophobicContact CB-CD1 4.33Å; P375-L377 HydrophobicContact CB-CD2 3.82Å; P375-L377 HydrophobicContact CB-CG 4.04Å
378S93.6Very high91.7Very high41 Ų4163.9 Ų63.929%0.28736%0.359SS..  trans-73-31.9-173.868.20000114.1G306 K365G306-S378 WeakPolarHBondContact CA-OG 3.41Å; G306-S378 PolarHBondContact O-N 3.28Å; G306-S378 PolarHBondContact O-OG 2.63Å; K365-S378 WeakPolarHBondContact O-CA 3.33Å; K365-S378 WeakPolarHBondContact O-CB 3.42Å
379T95.7Very high92.5Very high63 Ų6363 Ų6339%0.38734%0.344SS..EExtended strand (participates in β ladder)trans-126.5101.4-167.9-55.30000111.6G306 T307 F308 L381G306-T379 PolarHBondContact O-N 2.76Å; T307-T379 CarbonylContact C-O 3.55Å; T307-T379 VanDerWaalsContact CA-O 3.3Å; T307-T379 WeakPolarHBondContact CA-O 3.37Å; F308-T379 WeakPolarHBondContact CD1-O 3.45Å; F308-T379 PolarHBondContact N-O 3.4Å; T379-L381 PolarHBondContact O-N 3.3Å
380P97.1Very high93.4Very high59 Ų5964.1 Ų64.138%0.38334%0.34SS..EExtended strand (participates in β ladder)trans-72126.3-17927.3-33.2000112C286 F308 I382C286-P380 HydrophobicContact CB-CB 3.57Å; F308-P380 HydrophobicContact CE1-CB 3.81Å; F308-P380 HydrophobicContact CE1-CG 4.47Å; F308-P380 HydrophobicContact CZ-CB 3.95Å; P380-I382 PolarHBondContact O-N 2.97Å
381L97.2Very high93.9Very high27 Ų2764.4 Ų64.414%0.14134%0.341CS..  trans-80.3106.8172.7-169.273.5000109.7W288 L299 L300 T307 F308 L309 T379 R383W288-L381 HydrophobicContact CZ2-CD2 4.12Å; W288-L381 HydrophobicContact CZ2-CG 4.14Å; W288-L381 PolarHBondContact NE1-O 2.75Å; L299-L381 HydrophobicContact CB-CD2 3.86Å; L300-L381 HydrophobicContact CD2-CD2 4.47Å; T307-L381 HydrophobicContact CG2-CB 4.13Å; T307-L381 HydrophobicContact CG2-CD1 4.21Å; F308-L381 WeakPolarHBondContact O-CB 3.41Å; F308-L381 PolarHBondContact O-N 3.29Å; L309-L381 HydrophobicContact CB-CB 4.39Å; L309-L381 HydrophobicContact CD2-CD2 3.91Å; T379-L381 PolarHBondContact O-N 3.3Å; L381-R383 PolarHBondContact O-N 2.86Å
382I97.3Very high94.4Very high94 Ų9463.1 Ų63.148%0.48234%0.335SS..  trans-66.8124.4-173.7-54.2-58.5000112.2P285 W288 P380P285-I382 HydrophobicContact CB-CD1 3.81Å; P285-I382 HydrophobicContact CB-CG2 4.17Å; P285-I382 HydrophobicContact CG-CD1 3.83Å; W288-I382 VanDerWaalsContact CZ2-O 3.29Å; W288-I382 WeakPolarHBondContact CZ2-O 3.27Å; P380-I382 PolarHBondContact O-N 2.97Å
383R96Very high95Very high47 Ų4758.6 Ų58.618%0.17732%0.321CS..  trans-61.2135.1171.5171.4176.448.2112.6-7.2111.5N282 P285 Y287 W288 L381 F385N282-R383 PolarHBondContact O-NH2 3.48Å; P285-R383 PolarHBondContact O-N 3.5Å; Y287-R383 VanDerWaalsContact O-CD 3.32Å; Y287-R383 WeakPolarHBondContact O-CD 3.41Å; Y287-R383 PolarHBondContact O-NE 2.91Å; W288-R383 HydrophobicContact CD2-CB 4.11Å; W288-R383 HydrophobicContact CD2-CG 4.46Å; W288-R383 HydrophobicContact CE3-CG 4.48Å; W288-R383 HydrophobicContact CG-CB 4.36Å; W288-R383 HydrophobicContact CZ2-CB 4.48Å; L381-R383 PolarHBondContact O-N 2.86Å; R383-F385 VanDerWaalsContact CD-O 3.31Å; R383-F385 WeakPolarHBondContact CD-O 3.43Å; R383-F385 HydrophobicContact CG-CD1 4.01Å; R383-F385 HydrophobicContact CG-CD2 4.41Å; R383-F385 HydrophobicContact CG-CE1 3.92Å; R383-F385 HydrophobicContact CG-CE2 4.32Å; R383-F385 HydrophobicContact CG-CG 4.26Å; R383-F385 HydrophobicContact CG-CZ 4.07Å; R383-F385 WeakPolarHBondContact CG-O 3.3Å; R383-F385 PolarHBondContact NH1-O 3.04Å
384T96.4Very high95.6Very high109 Ų10952.5 Ų52.567%0.66929%0.294SS*.  trans-101.56.3-172.754.10000115.3
385F95.4Very high96Very high68 Ų6851.4 Ų51.430%0.29829%0.289SS..SBendtrans-141.6148-176.860.8-91.8000112.6W32 W288 R383 F387W32-F385 HydrophobicContact CZ2-CB 4.23Å; W288-F385 AromaticContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CE1 3.62Å; W288-F385 HydrophobicContact CE3-CZ 4.24Å; W288-F385 HydrophobicContact CZ3-CD1 4.43Å; W288-F385 AromaticContact CZ3-CE1 3.83Å; W288-F385 HydrophobicContact CZ3-CE1 3.83Å; R383-F385 VanDerWaalsContact CD-O 3.31Å; R383-F385 WeakPolarHBondContact CD-O 3.43Å; R383-F385 HydrophobicContact CG-CD1 4.01Å; R383-F385 HydrophobicContact CG-CD2 4.41Å; R383-F385 HydrophobicContact CG-CE1 3.92Å; R383-F385 HydrophobicContact CG-CE2 4.32Å; R383-F385 HydrophobicContact CG-CG 4.26Å; R383-F385 HydrophobicContact CG-CZ 4.07Å; R383-F385 WeakPolarHBondContact CG-O 3.3Å; R383-F385 PolarHBondContact NH1-O 3.04Å; F385-F387 HydrophobicContact CE2-CD1 4.18Å; F385-F387 HydrophobicContact CE2-CE1 4.07Å
386P96.2Very high96.3Very high113 Ų11354.5 Ų54.573%0.73431%0.308SS*.PPolyproline II helixtrans-75.7154.817432.6-35.5000112
387F96.9Very high96.4Very high34 Ų3457.1 Ų57.115%0.14932%0.321CS..PPolyproline II helixtrans-80.6167.3171.9-65.2-45.9000111.8N282 Y287 F385 H391 I392N282-F387 WeakPolarHBondContact OD1-CD2 3.49Å; N282-F387 VanDerWaalsContact OD1-CE2 3.24Å; N282-F387 WeakPolarHBondContact OD1-CE2 3.42Å; Y287-F387 AromaticContact CD1-CE2 3.65Å; Y287-F387 HydrophobicContact CD1-CE2 3.65Å; Y287-F387 AromaticContact CD1-CZ 3.57Å; Y287-F387 HydrophobicContact CD1-CZ 3.57Å; Y287-F387 AromaticContact CE1-CE2 3.82Å; Y287-F387 HydrophobicContact CE1-CE2 3.82Å; Y287-F387 AromaticContact CE1-CZ 3.7Å; Y287-F387 HydrophobicContact CE1-CZ 3.7Å; F385-F387 HydrophobicContact CE2-CD1 4.18Å; F385-F387 HydrophobicContact CE2-CE1 4.07Å; F387-H391 AromaticContact CE2-NE2 3.97Å; F387-I392 HydrophobicContact CB-CD1 4.43Å; F387-I392 HydrophobicContact CB-CG1 4.2Å
388S97.1Very high96.5Very high67 Ų6757.5 Ų57.547%0.46932%0.324SS..PPolyproline II helixtrans-66.9148.4175.472.80000111.4Q390 H391 I392S388-Q390 PolarHBondContact O-N 2.93Å; S388-H391 PolarHBondContact O-N 2.84Å; S388-H391 WeakPolarHBondContact OG-CB 3.35Å; S388-H391 PolarHBondContact OG-N 2.86Å; S388-I392 WeakPolarHBondContact O-CG1 3.4Å; S388-I392 PolarHBondContact O-N 3.39Å
389L97.6Very high96.6Very high100 Ų10059.6 Ų59.652%0.52433%0.332SS..Hα-helixtrans-56.6-36.4176.5179.961.4000111.9H391 I392 C393L389-H391 VanDerWaalsContact C-N 3.34Å; L389-H391 PolarHBondContact O-N 3.39Å; L389-I392 PolarHBondContact O-N 2.87Å; L389-C393 WeakPolarHBondContact O-CB 3.29Å; L389-C393 PolarHBondContact O-N 3.2Å; L389-C393 PolarHBondContact O-SG 3.37Å
390Q95.9Very high96.5Very high78 Ų7861.6 Ų61.636%0.36435%0.347SS..Hα-helixtrans-61.5-40.6177.2-171.6-173.3-29.900112.3S388 R394 Y418S388-Q390 PolarHBondContact O-N 2.93Å; Q390-R394 WeakPolarHBondContact O-CB 3.49Å; Q390-R394 PolarHBondContact O-N 3.18Å; Q390-Y418 HydrophobicContact CG-CD1 4.28Å; Q390-Y418 HydrophobicContact CG-CE1 3.62Å; Q390-Y418 VanDerWaalsContact NE2-CE1 3.31Å
391H96.9Very high96.5Very high18 Ų1860.7 Ų60.78%0.08334%0.341CS..Hα-helixtrans-70.3-42.1176.8-171.395.1000111.7N282 Y287 F387 S388 L389 R394 T395 Y418 Y422N282-H391 PolarHBondContact ND2-NE2 3.29Å; N282-H391 PolarHBondContact OD1-CD2 3.05Å; N282-H391 PolarHBondContact OD1-NE2 2.97Å; Y287-H391 AromaticContact CE1-NE2 3.48Å; Y287-H391 WeakPolarHBondContact CE1-NE2 3.37Å; F387-H391 AromaticContact CE2-NE2 3.97Å; S388-H391 PolarHBondContact O-N 2.84Å; S388-H391 WeakPolarHBondContact OG-CB 3.35Å; S388-H391 PolarHBondContact OG-N 2.86Å; L389-H391 VanDerWaalsContact C-N 3.34Å; L389-H391 PolarHBondContact O-N 3.39Å; H391-R394 WeakPolarHBondContact O-CB 3.42Å; H391-R394 PolarHBondContact O-N 3.27Å; H391-R394 VanDerWaalsContact O-N 3.17Å; H391-T395 WeakPolarHBondContact O-CG2 3.47Å; H391-T395 PolarHBondContact O-N 3.5Å; H391-Y418 WeakPolarHBondContact CA-OH 3.5Å; H391-Y422 AromaticContact CE1-CE2 2.94Å; H391-Y422 WeakPolarHBondContact CE1-CE2 3.49Å; H391-Y422 AromaticContact CE1-CZ 3.07Å; H391-Y422 PolarHBondContact CE1-OH 2.91Å
392I97.1Very high96.4Very high79 Ų7963.7 Ų63.741%0.40536%0.36SS..Hα-helixtrans-64-41.3176.5-62.6165.2000111.4F387 S388 L389 R394 T395 V396F387-I392 HydrophobicContact CB-CD1 4.43Å; F387-I392 HydrophobicContact CB-CG1 4.2Å; S388-I392 WeakPolarHBondContact O-CG1 3.4Å; S388-I392 PolarHBondContact O-N 3.39Å; L389-I392 PolarHBondContact O-N 2.87Å; I392-R394 VanDerWaalsContact C-N 3.32Å; I392-R394 PolarHBondContact O-N 3.46Å; I392-T395 PolarHBondContact O-OG1 3.48Å; I392-V396 WeakPolarHBondContact O-CG2 3.41Å; I392-V396 PolarHBondContact O-N 3.03Å
393C96.9Very high96.3Very high53 Ų5361.1 Ų61.136%0.35835%0.345SS..Hα-helixtrans-63.8-38.7173.3-71.20000111.8L389 I397L389-C393 WeakPolarHBondContact O-CB 3.29Å; L389-C393 PolarHBondContact O-N 3.2Å; L389-C393 PolarHBondContact O-SG 3.37Å; C393-I397 WeakPolarHBondContact O-CD1 3.34Å; C393-I397 VanDerWaalsContact O-CG1 3.22Å; C393-I397 WeakPolarHBondContact O-CG1 3.39Å; C393-I397 PolarHBondContact O-N 2.88Å
394R96.8Very high96.2Very high2 Ų264 Ų641%0.00836%0.364CS..Hα-helixtrans-62.4-46.4178.1161.1174-178.5-160.512.9112.6Q390 H391 I392 V396 I397 C398 Y418 L419 E421 Y422Q390-R394 WeakPolarHBondContact O-CB 3.49Å; Q390-R394 PolarHBondContact O-N 3.18Å; H391-R394 WeakPolarHBondContact O-CB 3.42Å; H391-R394 PolarHBondContact O-N 3.27Å; H391-R394 VanDerWaalsContact O-N 3.17Å; I392-R394 VanDerWaalsContact C-N 3.32Å; I392-R394 PolarHBondContact O-N 3.46Å; R394-V396 VanDerWaalsContact C-N 3.29Å; R394-V396 PolarHBondContact O-N 3.15Å; R394-I397 PolarHBondContact O-N 2.84Å; R394-I397 VanDerWaalsContact O-N 3.15Å; R394-C398 WeakPolarHBondContact O-CB 3.22Å; R394-C398 PolarHBondContact O-N 2.99Å; R394-C398 PolarHBondContact O-SG 3.4Å; R394-C398 VanDerWaalsContact O-SG 3.37Å; R394-Y418 HydrophobicContact CB-CE1 3.88Å; R394-Y418 VanDerWaalsContact CD-CE1 3.44Å; R394-Y418 HydrophobicContact CG-CE1 4.3Å; R394-Y418 PolarHBondContact NE-O 2.99Å; R394-Y418 PolarHBondContact NH1-O 3.31Å; R394-Y418 PolarHBondContact NH2-O 2.9Å; R394-L419 HydrophobicContact CB-CD2 3.76Å; R394-L419 HydrophobicContact CG-CD2 3.69Å; R394-L419 PolarHBondContact NE-O 3.38Å; R394-L419 PolarHBondContact NH2-O 3.5Å; R394-L419 VanDerWaalsContact NH2-O 3.08Å; R394-E421 IonicContact CZ-OE2 3.48Å; R394-E421 IonicContact NH1-OE2 3.85Å; R394-E421 PolarHBondContact NH1-OE2 2.8Å; R394-E421 IonicContact NH2-OE2 2.67Å; R394-E421 PolarHBondContact NH2-OE2 3.35Å; R394-Y422 VanDerWaalsContact NH1-CE2 3.32Å
395T96.5Very high96.1Very high3 Ų359.7 Ų59.72%0.01834%0.342CS..Hα-helixtrans-63.1-39.7-17758.10000111.1L278 N282 H391 I392 N399L278-T395 HydrophobicContact CG-CG2 4.32Å; N282-T395 HydrophobicContact CB-CG2 3.91Å; N282-T395 VanDerWaalsContact CG-CG2 3.42Å; N282-T395 VanDerWaalsContact ND2-CG2 3.34Å; N282-T395 WeakPolarHBondContact ND2-CG2 3.24Å; H391-T395 WeakPolarHBondContact O-CG2 3.47Å; H391-T395 PolarHBondContact O-N 3.5Å; I392-T395 PolarHBondContact O-OG1 3.48Å; T395-N399 WeakPolarHBondContact O-CB 3.33Å; T395-N399 PolarHBondContact O-N 3.01Å
396V97.2Very high96.1Very high74 Ų7456.5 Ų56.545%0.44833%0.327SS..Hα-helixtrans-64-43.6172.7177.20000111.8L279 I392 R394 N399 C400L279-V396 HydrophobicContact CD1-CG2 4.12Å; I392-V396 WeakPolarHBondContact O-CG2 3.41Å; I392-V396 PolarHBondContact O-N 3.03Å; R394-V396 VanDerWaalsContact C-N 3.29Å; R394-V396 PolarHBondContact O-N 3.15Å; V396-N399 PolarHBondContact O-N 3.37Å; V396-C400 PolarHBondContact O-N 3.01Å; V396-C400 PolarHBondContact O-SG 3.22Å
397I96.2Very high96.1Very high69 Ų6955.1 Ų55.135%0.35431%0.314SS..Hα-helixtrans-63.6-46.4177.1-69162.5000111.1C393 R394 N399 C400 T401 L409 L419C393-I397 WeakPolarHBondContact O-CD1 3.34Å; C393-I397 VanDerWaalsContact O-CG1 3.22Å; C393-I397 WeakPolarHBondContact O-CG1 3.39Å; C393-I397 PolarHBondContact O-N 2.88Å; R394-I397 PolarHBondContact O-N 2.84Å; R394-I397 VanDerWaalsContact O-N 3.15Å; I397-N399 VanDerWaalsContact C-N 3.3Å; I397-N399 PolarHBondContact O-N 3.03Å; I397-C400 CarbonylContact O-C 3.59Å; I397-C400 PolarHBondContact O-N 3.15Å; I397-T401 HydrophobicContact CG2-CG2 4.47Å; I397-T401 WeakPolarHBondContact O-CG2 3.35Å; I397-T401 PolarHBondContact O-N 2.7Å; I397-L409 HydrophobicContact CG2-CD1 4.04Å; I397-L419 HydrophobicContact CB-CD2 4.22Å; I397-L419 HydrophobicContact CD1-CD2 4.37Å; I397-L419 HydrophobicContact CG2-CD1 3.78Å; I397-L419 HydrophobicContact CG2-CD2 4.07Å
398C95.8Very high96.1Very high10 Ų1057.7 Ų57.77%0.06834%0.342CS..Hα-helixtrans-62.5-34.1178.2-71.20000112.5L274 L278 R394 C400 T401L274-C398 HydrophobicContact CD1-CB 4.26Å; L278-C398 HydrophobicContact CD2-CB 4.05Å; R394-C398 WeakPolarHBondContact O-CB 3.22Å; R394-C398 PolarHBondContact O-N 2.99Å; R394-C398 PolarHBondContact O-SG 3.4Å; R394-C398 VanDerWaalsContact O-SG 3.37Å; C398-C400 PolarHBondContact O-N 3.46Å; C398-T401 PolarHBondContact O-N 2.89Å; C398-T401 VanDerWaalsContact O-O 3.06Å
399N95.8Very high96Very high85 Ų8556.8 Ų56.846%0.45533%0.331SS..THydrogen-bonded Turntrans-68.3-14173.4-164.2108.5000113.2L279 T395 V396 I397L279-N399 HydrophobicContact CB-CB 4.1Å; L279-N399 WeakPolarHBondContact CB-OD1 3.42Å; L279-N399 HydrophobicContact CD2-CB 3.9Å; L279-N399 WeakPolarHBondContact CD2-OD1 3.37Å; T395-N399 WeakPolarHBondContact O-CB 3.33Å; T395-N399 PolarHBondContact O-N 3.01Å; V396-N399 PolarHBondContact O-N 3.37Å; I397-N399 VanDerWaalsContact C-N 3.3Å; I397-N399 PolarHBondContact O-N 3.03Å
400C95.1Very high95.9Very high105 Ų10558.5 Ų58.571%0.70935%0.348SS*.THydrogen-bonded Turntrans-113.811.2-177.9-65.10000113.4V396 I397 C398V396-C400 PolarHBondContact O-N 3.01Å; V396-C400 PolarHBondContact O-SG 3.22Å; I397-C400 CarbonylContact O-C 3.59Å; I397-C400 PolarHBondContact O-N 3.15Å; C398-C400 PolarHBondContact O-N 3.46Å
401T95.3Very high95.9Very high39 Ų3957.6 Ų57.624%0.23935%0.345CS..SBendtrans-152.8167.6-177.2-156.60000112.4L274 I397 C398 I406L274-T401 HydrophobicContact CD1-CG2 4.37Å; I397-T401 HydrophobicContact CG2-CG2 4.47Å; I397-T401 WeakPolarHBondContact O-CG2 3.35Å; I397-T401 PolarHBondContact O-N 2.7Å; C398-T401 PolarHBondContact O-N 2.89Å; C398-T401 VanDerWaalsContact O-O 3.06Å; T401-I406 HydrophobicContact CG2-CD1 4.43Å; T401-I406 HydrophobicContact CG2-CG1 3.7Å
402T95.5Very high95.9Very high91 Ų9160.8 Ų60.856%0.55837%0.368SS*.  trans-100.6170.9172.863.70000110.9D404 G405 I406T402-D404 VanDerWaalsContact C-N 3.29Å; T402-D404 PolarHBondContact O-N 2.76Å; T402-G405 PolarHBondContact O-N 2.62Å; T402-G405 VanDerWaalsContact O-N 3.11Å; T402-G405 PolarHBondContact OG1-N 2.85Å; T402-G405 VanDerWaalsContact OG1-N 3.13Å; T402-I406 PolarHBondContact O-N 2.86Å
403Y95.1Very high95.8Very high40 Ų4061.7 Ų61.716%0.15738%0.381CS..THydrogen-bonded Turntrans-55.6-44.8178.1-173.3-93.7000112H272 L274 I406 K420 H423H272-Y403 HydrophobicContact CB-CD1 3.64Å; H272-Y403 HydrophobicContact CB-CD2 3.99Å; H272-Y403 HydrophobicContact CB-CE1 3.4Å; H272-Y403 VanDerWaalsContact CB-CE1 3.4Å; H272-Y403 HydrophobicContact CB-CE2 3.78Å; H272-Y403 HydrophobicContact CB-CG 3.92Å; H272-Y403 VanDerWaalsContact CB-CZ 3.46Å; H272-Y403 AromaticContact CG-CZ 3.9Å; H272-Y403 VanDerWaalsContact O-CB 3.24Å; H272-Y403 WeakPolarHBondContact O-CB 2.88Å; L274-Y403 HydrophobicContact CD2-CD2 4.03Å; L274-Y403 HydrophobicContact CG-CD2 4.43Å; Y403-I406 WeakPolarHBondContact O-CB 3.24Å; Y403-K420 HydrophobicContact CD1-CD 4.49Å; Y403-K420 HydrophobicContact CD2-CB 4.36Å; Y403-K420 HydrophobicContact CD2-CD 4.32Å; Y403-K420 HydrophobicContact CD2-CG 3.89Å; Y403-K420 HydrophobicContact CE1-CD 3.97Å; Y403-K420 HydrophobicContact CE2-CB 3.68Å; Y403-K420 HydrophobicContact CE2-CD 3.77Å; Y403-K420 HydrophobicContact CE2-CG 3.53Å; Y403-K420 WeakPolarHBondContact O-CE 3.38Å; Y403-H423 HydrophobicContact CD2-CB 3.83Å; Y403-H423 HydrophobicContact CE2-CB 3.73Å; Y403-H423 AromaticContact CE2-CG 3.68Å; Y403-H423 AromaticContact CE2-ND1 3.83Å
404D94.7Very high95.8Very high106 Ų10662.9 Ų62.957%0.56739%0.39SS*.THydrogen-bonded Turntrans-76-30.4177.3-49.2-51.3000112T402 I406 D407T402-D404 VanDerWaalsContact C-N 3.29Å; T402-D404 PolarHBondContact O-N 2.76Å; D404-I406 PolarHBondContact O-N 2.96Å; D404-D407 WeakPolarHBondContact O-CB 3.43Å; D404-D407 PolarHBondContact O-N 3.36Å
405G94.3Very high95.8Very high20 Ų2066.1 Ų66.121%0.20641%0.406CS..Hα-helixtrans-57.3-29.6173.300000113.6T402 D407 A408T402-G405 PolarHBondContact O-N 2.62Å; T402-G405 VanDerWaalsContact O-N 3.11Å; T402-G405 PolarHBondContact OG1-N 2.85Å; T402-G405 VanDerWaalsContact OG1-N 3.13Å; G405-D407 PolarHBondContact O-N 3.31Å; G405-A408 PolarHBondContact O-N 3.37Å; G405-A408 VanDerWaalsContact O-N 3.16Å
406I96Very high95.8Very high0 Ų067.9 Ų67.90%041%0.413CS..Hα-helixtrans-59.6-32.2172.7-67.6165.3000112L274 T401 T402 Y403 D404 A408 L409 K416 L419 K420L274-I406 HydrophobicContact CD1-CD1 3.96Å; L274-I406 HydrophobicContact CD2-CD1 4.02Å; L274-I406 HydrophobicContact CG-CD1 4.49Å; T401-I406 HydrophobicContact CG2-CD1 4.43Å; T401-I406 HydrophobicContact CG2-CG1 3.7Å; T402-I406 PolarHBondContact O-N 2.86Å; Y403-I406 WeakPolarHBondContact O-CB 3.24Å; D404-I406 PolarHBondContact O-N 2.96Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.92Å; I406-L409 HydrophobicContact CG1-CD1 4.47Å; I406-L409 WeakPolarHBondContact O-CB 3.29Å; I406-L409 PolarHBondContact O-N 3.18Å; I406-K416 HydrophobicContact CG2-CB 3.81Å; I406-K416 HydrophobicContact CG2-CG 4.01Å; I406-K416 VanDerWaalsContact O-CE 3.24Å; I406-K416 WeakPolarHBondContact O-CE 3.47Å; I406-L419 HydrophobicContact CD1-CB 3.76Å; I406-L419 HydrophobicContact CG1-CB 4.25Å; I406-L419 HydrophobicContact CG1-CD1 4.29Å; I406-L419 HydrophobicContact CG2-CB 4.14Å; I406-L419 HydrophobicContact CG2-CD1 4.05Å; I406-K420 HydrophobicContact CB-CG 4.34Å; I406-K420 HydrophobicContact CD1-CG 3.68Å; I406-K420 HydrophobicContact CG2-CD 4.41Å; I406-K420 HydrophobicContact CG2-CG 4.1Å
407D95.6Very high95.7Very high84 Ų8470.6 Ų70.645%0.44943%0.425SS..Hα-helixtrans-73.9-22-179.7-64.5-33.6000112.9D404 G405 L409 K416 K420D404-D407 WeakPolarHBondContact O-CB 3.43Å; D404-D407 PolarHBondContact O-N 3.36Å; G405-D407 PolarHBondContact O-N 3.31Å; D407-L409 VanDerWaalsContact C-N 3.34Å; D407-K416 PolarHBondContact O-NZ 3.39Å; D407-K420 IonicContact OD1-NZ 2.85Å; D407-K420 PolarHBondContact OD1-NZ 3Å; D407-K420 IonicContact OD2-NZ 2.62Å; D407-K420 PolarHBondContact OD2-NZ 2.94Å
408A95.9Very high95.8Very high89 Ų8969.6 Ų69.674%0.73642%0.417SS*.Hα-helixtrans-76.7-17.4171.300000113.5G405 I406G405-A408 PolarHBondContact O-N 3.37Å; G405-A408 VanDerWaalsContact O-N 3.16Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.92Å
409L95.4Very high95.8Very high48 Ų4869.4 Ų69.425%0.25142%0.415SS..SBendtrans-66.2140.6-175-63.1177.5000112.6I397 I406 D407 I411 K416 L419I397-L409 HydrophobicContact CG2-CD1 4.04Å; I406-L409 HydrophobicContact CG1-CD1 4.47Å; I406-L409 WeakPolarHBondContact O-CB 3.29Å; I406-L409 PolarHBondContact O-N 3.18Å; D407-L409 VanDerWaalsContact C-N 3.34Å; L409-I411 HydrophobicContact CB-CD1 3.98Å; L409-I411 HydrophobicContact CB-CG1 3.88Å; L409-I411 HydrophobicContact CD1-CD1 4Å; L409-I411 PolarHBondContact O-N 3.33Å; L409-K416 WeakPolarHBondContact O-CE 3.41Å; L409-K416 PolarHBondContact O-NZ 3.09Å; L409-L419 HydrophobicContact CD1-CD1 3.74Å
410P96.3Very high95.8Very high135 Ų13566.7 Ų66.788%0.87740%0.399SS*.SBendtrans-80.753-17934.8-37.5000112.4
411I95.8Very high95.8Very high59 Ų5966.7 Ų66.730%0.30339%0.389SS..SBendtrans-128.2155.8-175.663.7179.7000111.7L409 M415 K416 L419L409-I411 HydrophobicContact CB-CD1 3.98Å; L409-I411 HydrophobicContact CB-CG1 3.88Å; L409-I411 HydrophobicContact CD1-CD1 4Å; L409-I411 PolarHBondContact O-N 3.33Å; I411-M415 HydrophobicContact CB-CB 4.38Å; I411-M415 HydrophobicContact CD1-CB 4.02Å; I411-M415 HydrophobicContact CG1-CB 4.34Å; I411-K416 HydrophobicContact CD1-CG 4.05Å; I411-K416 HydrophobicContact CG1-CD 4.5Å; I411-K416 HydrophobicContact CG1-CG 3.74Å; I411-K416 WeakPolarHBondContact O-CE 3.49Å; I411-L419 HydrophobicContact CD1-CD1 3.62Å
412P97.4Very high95.8Very high85 Ų8565.3 Ų65.355%0.55238%0.379SS*.  trans-59.6148.2177.9-2434.7000113.1S414 M415 K416P412-S414 PolarHBondContact O-N 2.87Å; P412-S414 VanDerWaalsContact O-N 3.11Å; P412-M415 WeakPolarHBondContact O-CA 3.35Å; P412-M415 WeakPolarHBondContact O-CB 3.45Å; P412-M415 PolarHBondContact O-N 2.75Å; P412-K416 PolarHBondContact O-N 3.16Å; P412-K416 VanDerWaalsContact O-N 3.13Å
413S95.3Very high95.7Very high98 Ų9863 Ų6369%0.68536%0.362SS*.Hα-helixtrans-59.2-27.4-176.9-41.90000114.2M415 K416 L417S413-M415 VanDerWaalsContact C-N 3.33Å; S413-K416 PolarHBondContact O-N 3.18Å; S413-L417 PolarHBondContact O-N 2.86Å
414S96.6Very high95.6Very high79 Ų7962.3 Ų62.355%0.55236%0.36SS*.Hα-helixtrans-65.7-33.317249.80000113P412 Y418P412-S414 PolarHBondContact O-N 2.87Å; P412-S414 VanDerWaalsContact O-N 3.11Å; S414-Y418 WeakPolarHBondContact O-CB 3.29Å; S414-Y418 PolarHBondContact O-N 2.95Å
415M95.9Very high95.4Very high70 Ų7062 Ų6235%0.34535%0.353SS..Hα-helixtrans-77.3-32.9173.4-62.3-67.792.400111.5I411 P412 S413 Y418 L419I411-M415 HydrophobicContact CB-CB 4.38Å; I411-M415 HydrophobicContact CD1-CB 4.02Å; I411-M415 HydrophobicContact CG1-CB 4.34Å; P412-M415 WeakPolarHBondContact O-CA 3.35Å; P412-M415 WeakPolarHBondContact O-CB 3.45Å; P412-M415 PolarHBondContact O-N 2.75Å; S413-M415 VanDerWaalsContact C-N 3.33Å; M415-Y418 PolarHBondContact O-N 3.4Å; M415-L419 WeakPolarHBondContact O-CG 3.32Å; M415-L419 PolarHBondContact O-N 2.85Å
416K96.6Very high95.1Very high39 Ų3961.4 Ų61.417%0.1735%0.346CS..Hα-helixtrans-61.4-46.2171-63.2-173.7170.8178.80111.6I406 D407 L409 I411 P412 S413 L419 K420I406-K416 HydrophobicContact CG2-CB 3.81Å; I406-K416 HydrophobicContact CG2-CG 4.01Å; I406-K416 VanDerWaalsContact O-CE 3.24Å; I406-K416 WeakPolarHBondContact O-CE 3.47Å; D407-K416 PolarHBondContact O-NZ 3.39Å; L409-K416 WeakPolarHBondContact O-CE 3.41Å; L409-K416 PolarHBondContact O-NZ 3.09Å; I411-K416 HydrophobicContact CD1-CG 4.05Å; I411-K416 HydrophobicContact CG1-CD 4.5Å; I411-K416 HydrophobicContact CG1-CG 3.74Å; I411-K416 WeakPolarHBondContact O-CE 3.49Å; P412-K416 PolarHBondContact O-N 3.16Å; P412-K416 VanDerWaalsContact O-N 3.13Å; S413-K416 PolarHBondContact O-N 3.18Å; K416-L419 PolarHBondContact O-N 3.09Å; K416-K420 WeakPolarHBondContact O-CB 3.4Å; K416-K420 WeakPolarHBondContact O-CG 3.31Å; K416-K420 PolarHBondContact O-N 2.9Å
417L96.3Very high94.4Very high131 Ų13167.5 Ų67.569%0.68637%0.372SS*.Hα-helixtrans-61.5-42.6174-173.1148.7000111.7S413 K420 E421S413-L417 PolarHBondContact O-N 2.86Å; L417-K420 PolarHBondContact O-N 3.42Å; L417-E421 PolarHBondContact O-N 2.78Å
418Y96.7Very high93.3Very high48 Ų4866.6 Ų66.619%0.18837%0.37CS..Hα-helixtrans-61.1-44.9174.9178.6-110.1000112.6Q390 H391 R394 S414 M415 K420Q390-Y418 HydrophobicContact CG-CD1 4.28Å; Q390-Y418 HydrophobicContact CG-CE1 3.62Å; Q390-Y418 VanDerWaalsContact NE2-CE1 3.31Å; H391-Y418 WeakPolarHBondContact CA-OH 3.5Å; R394-Y418 HydrophobicContact CB-CE1 3.88Å; R394-Y418 VanDerWaalsContact CD-CE1 3.44Å; R394-Y418 HydrophobicContact CG-CE1 4.3Å; R394-Y418 PolarHBondContact NE-O 2.99Å; R394-Y418 PolarHBondContact NH1-O 3.31Å; R394-Y418 PolarHBondContact NH2-O 2.9Å; S414-Y418 WeakPolarHBondContact O-CB 3.29Å; S414-Y418 PolarHBondContact O-N 2.95Å; M415-Y418 PolarHBondContact O-N 3.4Å; Y418-K420 PolarHBondContact O-N 3.17Å
419L96.6Very high91.7Very high7 Ų771.5 Ų71.54%0.03737%0.369CS..Hα-helixtrans-59.9-47.4175.7-67.4176.3000111R394 I397 I406 L409 I411 M415 K416 E421R394-L419 HydrophobicContact CB-CD2 3.76Å; R394-L419 HydrophobicContact CG-CD2 3.69Å; R394-L419 PolarHBondContact NE-O 3.38Å; R394-L419 PolarHBondContact NH2-O 3.5Å; R394-L419 VanDerWaalsContact NH2-O 3.08Å; I397-L419 HydrophobicContact CB-CD2 4.22Å; I397-L419 HydrophobicContact CD1-CD2 4.37Å; I397-L419 HydrophobicContact CG2-CD1 3.78Å; I397-L419 HydrophobicContact CG2-CD2 4.07Å; I406-L419 HydrophobicContact CD1-CB 3.76Å; I406-L419 HydrophobicContact CG1-CB 4.25Å; I406-L419 HydrophobicContact CG1-CD1 4.29Å; I406-L419 HydrophobicContact CG2-CB 4.14Å; I406-L419 HydrophobicContact CG2-CD1 4.05Å; L409-L419 HydrophobicContact CD1-CD1 3.74Å; I411-L419 HydrophobicContact CD1-CD1 3.62Å; M415-L419 WeakPolarHBondContact O-CG 3.32Å; M415-L419 PolarHBondContact O-N 2.85Å; K416-L419 PolarHBondContact O-N 3.09Å; L419-E421 VanDerWaalsContact C-N 3.26Å; L419-E421 PolarHBondContact O-N 3.32Å; L419-E421 VanDerWaalsContact O-N 3.14Å
420K95.8Very high89.9Confident27 Ų2773 Ų7312%0.11738%0.38CS..Hα-helixtrans-66.1-7.7-175.3-78.9-178.2161.1179.60116.6Y403 I406 D407 K416 L417 Y418 Y422 H423Y403-K420 HydrophobicContact CD1-CD 4.49Å; Y403-K420 HydrophobicContact CD2-CB 4.36Å; Y403-K420 HydrophobicContact CD2-CD 4.32Å; Y403-K420 HydrophobicContact CD2-CG 3.89Å; Y403-K420 HydrophobicContact CE1-CD 3.97Å; Y403-K420 HydrophobicContact CE2-CB 3.68Å; Y403-K420 HydrophobicContact CE2-CD 3.77Å; Y403-K420 HydrophobicContact CE2-CG 3.53Å; Y403-K420 WeakPolarHBondContact O-CE 3.38Å; I406-K420 HydrophobicContact CB-CG 4.34Å; I406-K420 HydrophobicContact CD1-CG 3.68Å; I406-K420 HydrophobicContact CG2-CD 4.41Å; I406-K420 HydrophobicContact CG2-CG 4.1Å; D407-K420 IonicContact OD1-NZ 2.85Å; D407-K420 PolarHBondContact OD1-NZ 3Å; D407-K420 IonicContact OD2-NZ 2.62Å; D407-K420 PolarHBondContact OD2-NZ 2.94Å; K416-K420 WeakPolarHBondContact O-CB 3.4Å; K416-K420 WeakPolarHBondContact O-CG 3.31Å; K416-K420 PolarHBondContact O-N 2.9Å; L417-K420 PolarHBondContact O-N 3.42Å; Y418-K420 PolarHBondContact O-N 3.17Å; K420-Y422 PolarHBondContact O-N 3Å; K420-H423 PolarHBondContact O-ND1 3.39Å
421E94.6Very high87.9Confident105 Ų10571.1 Ų71.149%0.49136%0.362SS..THydrogen-bonded Turntrans-65-31.6-173.9144.6-171.3-105.100114.9R394 L417 L419 H423R394-E421 IonicContact CZ-OE2 3.48Å; R394-E421 IonicContact NH1-OE2 3.85Å; R394-E421 PolarHBondContact NH1-OE2 2.8Å; R394-E421 IonicContact NH2-OE2 2.67Å; R394-E421 PolarHBondContact NH2-OE2 3.35Å; L417-E421 PolarHBondContact O-N 2.78Å; L419-E421 VanDerWaalsContact C-N 3.26Å; L419-E421 PolarHBondContact O-N 3.32Å; L419-E421 VanDerWaalsContact O-N 3.14Å; E421-H423 PolarHBondContact O-N 2.99Å
422Y95Very high85.9Confident11 Ų1176.6 Ų76.64%0.04338%0.379CS..SBendtrans-91.476174.2-67.4-64.4000110.5V275 L278 Y287 D312 L319 F320 H391 R394 K420V275-Y422 PolarHBondContact N-O 3.4Å; L278-Y422 HydrophobicContact CD1-CD1 4.41Å; L278-Y422 HydrophobicContact CD1-CD2 3.82Å; L278-Y422 HydrophobicContact CD1-CE2 4.43Å; L278-Y422 HydrophobicContact CD1-CG 3.85Å; L278-Y422 HydrophobicContact CD2-CD2 3.93Å; L278-Y422 HydrophobicContact CD2-CG 4.24Å; Y287-Y422 PolarHBondContact OH-OH 3.49Å; D312-Y422 PolarHBondContact OD2-OH 3.43Å; L319-Y422 HydrophobicContact CD2-CD1 4.46Å; F320-Y422 HydrophobicContact CE1-CD1 4.26Å; F320-Y422 HydrophobicContact CE1-CE1 4.06Å; F320-Y422 AromaticContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CD1 3.98Å; F320-Y422 HydrophobicContact CZ-CE1 4.24Å; H391-Y422 AromaticContact CE1-CE2 2.94Å; H391-Y422 WeakPolarHBondContact CE1-CE2 3.49Å; H391-Y422 AromaticContact CE1-CZ 3.07Å; H391-Y422 PolarHBondContact CE1-OH 2.91Å; R394-Y422 VanDerWaalsContact NH1-CE2 3.32Å; K420-Y422 PolarHBondContact O-N 3Å
423H94.6Very high84Confident41 Ų4176.4 Ų76.419%0.1937%0.372CS..EExtended strand (participates in β ladder)trans-132.1149.717575.6-90.3000111.9H272 C273 Y403 K420 E421H272-H423 AromaticContact CE1-NE2 3.63Å; H272-H423 AromaticContact CG-CD2 3.88Å; H272-H423 AromaticContact ND1-CD2 3.11Å; H272-H423 PolarHBondContact ND1-CD2 3.43Å; H272-H423 AromaticContact ND1-CE1 3.86Å; H272-H423 AromaticContact ND1-NE2 2.92Å; H272-H423 PolarHBondContact ND1-NE2 3.35Å; C273-H423 CarbonylContact O-C 3.54Å; C273-H423 WeakPolarHBondContact O-CA 2.95Å; C273-H423 VanDerWaalsContact O-CB 3.28Å; C273-H423 WeakPolarHBondContact O-CB 3.41Å; Y403-H423 HydrophobicContact CD2-CB 3.83Å; Y403-H423 HydrophobicContact CE2-CB 3.73Å; Y403-H423 AromaticContact CE2-CG 3.68Å; Y403-H423 AromaticContact CE2-ND1 3.83Å; K420-H423 PolarHBondContact O-ND1 3.39Å; E421-H423 PolarHBondContact O-N 2.99Å
424Y92.9Very high82Confident27 Ų2777.1 Ų77.111%0.10637%0.369CS..EExtended strand (participates in β ladder)trans-105.8165.616962-98.1000111.1H272 C273 L274 Q337 H340 F342H272-Y424 WeakPolarHBondContact CA-O 3.4Å; C273-Y424 HydrophobicContact CB-CD1 4.31Å; C273-Y424 HydrophobicContact CB-CD2 3.96Å; C273-Y424 HydrophobicContact CB-CE1 3.84Å; C273-Y424 HydrophobicContact CB-CE2 3.48Å; C273-Y424 VanDerWaalsContact CB-CE2 3.48Å; C273-Y424 HydrophobicContact CB-CG 4.39Å; C273-Y424 VanDerWaalsContact CB-CZ 3.42Å; C273-Y424 PolarHBondContact N-O 3.44Å; C273-Y424 WeakPolarHBondContact O-CD1 3.36Å; C273-Y424 PolarHBondContact O-N 3.21Å; L274-Y424 WeakPolarHBondContact O-CE1 3.49Å; Q337-Y424 HydrophobicContact CG-CD1 4.32Å; Q337-Y424 HydrophobicContact CG-CD2 3.71Å; Q337-Y424 HydrophobicContact CG-CE2 4.2Å; Q337-Y424 HydrophobicContact CG-CG 3.75Å; H340-Y424 AromaticContact ND1-CE2 3.54Å; H340-Y424 AromaticContact ND1-CZ 3.68Å; H340-Y424 PolarHBondContact ND1-OH 3.16Å; F342-Y424 HydrophobicContact CE1-CD1 4.21Å; F342-Y424 AromaticContact CZ-CD1 3.88Å; F342-Y424 HydrophobicContact CZ-CD1 3.88Å; F342-Y424 AromaticContact CZ-CE1 3.84Å; F342-Y424 HydrophobicContact CZ-CE1 3.84Å
425K90.6Very high79.7Confident99 Ų9976.9 Ų76.943%0.4337%0.371SS..EExtended strand (participates in β ladder)trans-114.391.2-173.7-59170.8-169.2157.20110.2Y270 V271Y270-K425 HydrophobicContact CD1-CB 3.88Å; V271-K425 CarbonylContact O-C 3.56Å
426S86.6Confident77.5Confident8 Ų879 Ų796%0.05639%0.39CS..EExtended strand (participates in β ladder)trans-75.3135.4176.7-164.40000110.8Y270 V271 H340Y270-S426 CarbonylContact C-O 3.57Å; Y270-S426 VanDerWaalsContact CA-O 3.31Å; Y270-S426 WeakPolarHBondContact CA-O 3.29Å; V271-S426 PolarHBondContact N-O 2.93Å; V271-S426 PolarHBondContact O-N 3.29Å; H340-S426 PolarHBondContact CE1-OG 3.2Å; H340-S426 PolarHBondContact NE2-OG 3.18Å
427K82.9Confident75.1Confident128 Ų12885 Ų8556%0.55742%0.419SS*.EExtended strand (participates in β ladder)trans-87.2115.4178.6-69.6171.4-177.5172.40109.3I268 Y270I268-K427 HydrophobicContact CG2-CG 4.3Å; Y270-K427 HydrophobicContact CD1-CG 3.77Å; Y270-K427 HydrophobicContact CE1-CD 4.1Å; Y270-K427 HydrophobicContact CE1-CG 3.38Å; Y270-K427 WeakPolarHBondContact OH-CE 3.47Å
428V70.8Confident72.7Confident65 Ų6587.5 Ų87.539%0.39443%0.427SS..EExtended strand (participates in β ladder)trans-99.7-25.1-166.7175.80000114.3D269 V271D269-V428 PolarHBondContact O-N 2.87Å; V271-V428 HydrophobicContact CB-CG2 3.7Å; V271-V428 HydrophobicContact CG2-CB 4.23Å; V271-V428 HydrophobicContact CG2-CG2 3.45Å; V271-V428 VanDerWaalsContact CG2-CG2 3.45Å
429R62.5Low70.2Confident191 Ų19193.6 Ų93.672%0.72146%0.457SS*.EExtended strand (participates in β ladder)trans-172.5165.7157.8-114.2153.3-74.7-170.7-1.9111.2D269D269-R429 PolarHBondContact N-O 2.94Å
430V59.1Low67.3Low81 Ų81102.4 Ų102.449%0.49152%0.518SS..EExtended strand (participates in β ladder)trans-102.5111.6163.7-174.50000107.4T266 Q267 I268 R432T266-V430 HydrophobicContact CG2-CG1 3.98Å; Q267-V430 CarbonylContact O-C 3.57Å; Q267-V430 WeakPolarHBondContact O-CA 3.5Å; I268-V430 HydrophobicContact CG1-CG1 4.35Å; I268-V430 HydrophobicContact CG1-CG2 4.17Å; V430-R432 PolarHBondContact O-N 3.27Å
431L53.8Low65.9Low94 Ų94106.2 Ų106.249%0.49254%0.538SS..EExtended strand (participates in β ladder)trans-83.4113.5170.9-73.5171.7000108.2T266 Q267 I433T266-L431 WeakPolarHBondContact CA-O 3.46Å; Q267-L431 PolarHBondContact N-O 2.89Å; Q267-L431 PolarHBondContact O-N 3.49Å; L431-I433 PolarHBondContact O-N 3.23Å
432R53.9Low64.4Low174 Ų174106.3 Ų106.366%0.65754%0.54SS*.EExtended strand (participates in β ladder)trans-72.7113158.8-78.5-177.2171.7-179.5-3.7107T266 V430T266-R432 HydrophobicContact CG2-CG 4.16Å; V430-R432 PolarHBondContact O-N 3.27Å
433I56.8Low62.7Low81 Ų81111.6 Ų111.642%0.41557%0.568SS.*EExtended strand (participates in β ladder)trans-88.2104.8167-55.1-179000106.3H265 L431H265-I433 HydrophobicContact CB-CB 4.37Å; H265-I433 PolarHBondContact N-O 3.49Å; H265-I433 PolarHBondContact O-N 2.91Å; L431-I433 PolarHBondContact O-N 3.23Å
434D54.1Low60.8Low114 Ų114115.7 Ų115.761%0.6159%0.59SS**PPolyproline II helixtrans-68.5130.3164-61.6-46.1000107.9
435A48.5Very low58.8Low73 Ų73121.3 Ų121.360%0.60362%0.62SS**PPolyproline II helixtrans-70.2134.4-178.500000109.6E437A435-E437 PolarHBondContact O-N 3.13Å
436P48.7Very low56.7Low114 Ų114122.7 Ų122.774%0.7463%0.633SS**PPolyproline II helixtrans-62.9129.8173.727-33.5000109.3Q438P436-Q438 PolarHBondContact O-N 3.11Å; P436-Q438 VanDerWaalsContact O-N 3.17Å
437E46.9Very low54.6Low167 Ų167130.9 Ų130.978%0.7867%0.674SS**PPolyproline II helixtrans-55.9120.2174.7-66.5179.1163.300109.7A435 Q439A435-E437 PolarHBondContact O-N 3.13Å; E437-Q439 VanDerWaalsContact C-N 3.3Å; E437-Q439 PolarHBondContact O-N 3.42Å
438Q44.7Very low52.4Low182 Ų182131.2 Ų131.285%0.8568%0.683SS**  trans-75.690.3169.3-71.2-173.2-28.100108P436 C440P436-Q438 PolarHBondContact O-N 3.11Å; P436-Q438 VanDerWaalsContact O-N 3.17Å; Q438-C440 PolarHBondContact O-N 3.34Å
439Q44Very low50.8Low176 Ų176136.7 Ų136.782%0.82271%0.707SS**  trans-63.6113.6168.7-67.2-179.5-9.300108.7E437E437-Q439 VanDerWaalsContact C-N 3.3Å; E437-Q439 PolarHBondContact O-N 3.42Å
440C37.2Very low49.8Very low193 Ų193131.7 Ų131.7100%1.30471%0.706SS**  trans-105.10176.3-70.60000110.2Q438Q438-C440 PolarHBondContact O-N 3.34Å

Retrieved 440 of 440 residues in 64.4 ms (Link to these results)