A0A096NI10_PAPAN Loading...

UNC5C-like protein

Inhibits NF-kappa-B-dependent transcription by impairing NF-kappa-B binding to its targets.

AlphaFold DB , UniProt , Accession A0A096NI10, Species PAPAN (Papio anubis, Olive baboon), Gene UNC5CL, Length 518 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
1M33Very low35.8Very low235 Ų235148.6 Ų148.6100%1.15878%0.778SS**  0144.30-75.5174.8166.600107.3
2C31.7Very low36.4Very low112 Ų112150 Ų15076%0.75778%0.778SS**  trans67.4136.7-173.3-46.10000112.2
3F30.2Very low36.9Very low186 Ų186152.8 Ų152.882%0.81678%0.781SS**  cis61.9138.332.6-59.6-92.6000111.7
4Q32.9Very low37.5Very low141 Ų141151.9 Ų151.966%0.65978%0.777SS**  cis-160.7169.41.6-124.3163.4-55.400107.1
5E32.3Very low38.4Very low157 Ų157150.5 Ų150.573%0.73477%0.771SS**  cis-153.7-169.91.7-167.5119.7-10700109.2
6N38.2Very low39.3Very low141 Ų141150.8 Ų150.875%0.75477%0.773SS**  trans-73.7152.1174.6-78-47.3000114.1
7S33.4Very low40Very low117 Ų117147.5 Ų147.582%0.81876%0.762SS**  trans-148.8131140.155.50000111.5
8F37.5Very low40.5Very low200 Ų200141.7 Ų141.788%0.87774%0.744SS**  trans-92.6139.3171.5-96.9-108.5000109.4
9Q37.2Very low41.2Very low161 Ų161139.2 Ų139.275%0.75274%0.735SS**  trans-120.3128163.7-83-165.1-16.900110.8S11Q9-S11 PolarHBondContact O-N 3.29Å; Q9-S11 VanDerWaalsContact O-N 3.16Å
10P43.8Very low41.8Very low118 Ų118136 Ų13677%0.76672%0.723SS**THydrogen-bonded Turntrans-83.920.9-174.735-37.3000114.1
11S43.4Very low42.4Very low67 Ų67133.3 Ų133.347%0.46971%0.711SS.*THydrogen-bonded Turntrans-79.7-26.4-167.2500000115.1Q9Q9-S11 PolarHBondContact O-N 3.29Å; Q9-S11 VanDerWaalsContact O-N 3.16Å
12Q43.6Very low43.4Very low165 Ų165124.7 Ų124.777%0.77168%0.677SS**SBendtrans-83.2-22.8-172.6-70.9-173-18.600115L14Q12-L14 PolarHBondContact O-N 3.21Å
13F42.9Very low44.6Very low187 Ų187122.4 Ų122.482%0.8266%0.663SS**THydrogen-bonded Turntrans-75.1-22.1-179.1-95.8-85.2000114.4
14L44.6Very low46.1Very low140 Ų140118.2 Ų118.273%0.73365%0.652SS**THydrogen-bonded Turntrans-75.4-27.1-179.6-88.8161000113.7Q12 G18Q12-L14 PolarHBondContact O-N 3.21Å; L14-G18 PolarHBondContact O-N 3.35Å
15L51.4Low47.2Very low130 Ų130116.4 Ų116.468%0.68165%0.646SS**Hα-helixtrans-83.3-24.9-172.4-77.9165.6000114.4
16L52.4Low48.3Very low155 Ų155114.1 Ų114.181%0.81264%0.639SS**Hα-helixtrans-85.1-15.8-178.1-124.675.2000114.5
17V51.3Low49.3Very low95 Ų95113 Ų11358%0.57663%0.632SS**Hα-helixtrans-114.7-29.7-175.7-171.70000112.6P20 V21V17-P20 WeakPolarHBondContact O-CD 3.43Å; V17-V21 WeakPolarHBondContact O-CG2 3.45Å
18G49.3Very low50.2Low43 Ų43109.3 Ų109.344%0.44361%0.609SS.*Hα-helixtrans-66.7-37.5-178.400000114.6L14 A22L14-G18 PolarHBondContact O-N 3.35Å; G18-A22 PolarHBondContact O-N 3.16Å; G18-A22 VanDerWaalsContact O-N 3.14Å
19V53.5Low50.7Low95 Ų95105.7 Ų105.758%0.57660%0.595SS**Hα-helixtrans-61.8-54.7-175.3-178.30000113.4V21 A22 S23V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.38Å; V19-A22 PolarHBondContact O-N 3.44Å; V19-S23 PolarHBondContact O-N 3.17Å; V19-S23 PolarHBondContact O-OG 2.93Å
20P53.8Low51.2Low74 Ų74101.8 Ų101.848%0.48158%0.584SS.*Hα-helixtrans-64.7-33.4-178.824.8-34.9000113.2V17 S23 V24V17-P20 WeakPolarHBondContact O-CD 3.43Å; P20-S23 PolarHBondContact O-N 3.15Å; P20-V24 WeakPolarHBondContact O-CG2 3.21Å; P20-V24 PolarHBondContact O-N 3.41Å; P20-V24 VanDerWaalsContact O-N 3.15Å
21V54.7Low51.2Low80 Ų80103 Ų10349%0.48558%0.583SS.*Hα-helixtrans-67.3-40.3178.91780000111.1V17 V19 V24 L25V17-V21 WeakPolarHBondContact O-CG2 3.45Å; V19-V21 VanDerWaalsContact C-N 3.31Å; V19-V21 PolarHBondContact O-N 3.38Å; V21-V24 PolarHBondContact O-N 3.49Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.94Å
22A52.7Low51.1Low54 Ų54109.8 Ų109.845%0.44660%0.599SS.*Hα-helixtrans-61.7-43.2175.400000112.2G18 V19 V24 L25 L26G18-A22 PolarHBondContact O-N 3.16Å; G18-A22 VanDerWaalsContact O-N 3.14Å; V19-A22 PolarHBondContact O-N 3.44Å; A22-V24 PolarHBondContact O-N 3.44Å; A22-L25 PolarHBondContact O-N 3.36Å; A22-L26 PolarHBondContact O-N 3.02Å
23S58.4Low50.7Low65 Ų65112.7 Ų112.746%0.45560%0.603SS.*Hα-helixtrans-63.2-40.4177.8-56.80000113.1V19 P20 L27V19-S23 PolarHBondContact O-N 3.17Å; V19-S23 PolarHBondContact O-OG 2.93Å; P20-S23 PolarHBondContact O-N 3.15Å; S23-L27 WeakPolarHBondContact O-CG 3.42Å; S23-L27 PolarHBondContact O-N 3.4Å; S23-L27 VanDerWaalsContact O-N 3.15Å
24V60.6Low50.5Low98 Ų98111.6 Ų111.659%0.59460%0.6SS**Hα-helixtrans-68-40.2177.3172.50000111.5P20 V21 A22 L27 A28P20-V24 WeakPolarHBondContact O-CG2 3.21Å; P20-V24 PolarHBondContact O-N 3.41Å; P20-V24 VanDerWaalsContact O-N 3.15Å; V21-V24 PolarHBondContact O-N 3.49Å; A22-V24 PolarHBondContact O-N 3.44Å; V24-L27 PolarHBondContact O-N 3.05Å; V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.31Å; V24-A28 PolarHBondContact O-N 3.15Å
25L56.7Low49.9Very low102 Ų102110.5 Ų110.553%0.53460%0.603SS.*Hα-helixtrans-64.8-39.5176.6-76169.2000112.5V21 A22 A28 Q29V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.94Å; A22-L25 PolarHBondContact O-N 3.36Å; L25-A28 PolarHBondContact O-N 3.05Å; L25-Q29 WeakPolarHBondContact O-CG 3.49Å; L25-Q29 PolarHBondContact O-N 3.32Å
26L55.9Low48.9Very low109 Ų109110 Ų11057%0.57161%0.607SS**Hα-helixtrans-63.9-46.8176.3-116.8156000111.7A22 A28 Q29 C30A22-L26 PolarHBondContact O-N 3.02Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.14Å; L26-Q29 PolarHBondContact O-N 3.4Å; L26-C30 PolarHBondContact O-N 3.36Å; L26-C30 PolarHBondContact O-SG 3.28Å; L26-C30 VanDerWaalsContact O-SG 3.35Å
27L57.3Low47.9Very low118 Ų118114 Ų11462%0.61861%0.612SS**Hα-helixtrans-61.6-40.5174.6-73168.9000112.2S23 V24 Q29 C30 L31S23-L27 WeakPolarHBondContact O-CG 3.42Å; S23-L27 PolarHBondContact O-N 3.4Å; S23-L27 VanDerWaalsContact O-N 3.15Å; V24-L27 PolarHBondContact O-N 3.05Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.49Å; L27-C30 PolarHBondContact O-N 3.38Å; L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.47Å
28A52.4Low46.7Very low40 Ų40121.1 Ų121.133%0.33163%0.628SS.*Hα-helixtrans-67.2-28.317600000113.3V24 L25 L26 R32V24-A28 VanDerWaalsContact O-CB 3.31Å; V24-A28 WeakPolarHBondContact O-CB 3.31Å; V24-A28 PolarHBondContact O-N 3.15Å; L25-A28 PolarHBondContact O-N 3.05Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 3.14Å; A28-R32 WeakPolarHBondContact O-CD 3.5Å; A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-N 3.31Å
29Q49.1Very low45.7Very low123 Ų123127 Ų12758%0.57565%0.648SS**Hα-helixtrans-76.9-42.2173-75.4177.7-5.200111.9L25 L26 L27 L31 R32 W33L25-Q29 WeakPolarHBondContact O-CG 3.49Å; L25-Q29 PolarHBondContact O-N 3.32Å; L26-Q29 PolarHBondContact O-N 3.4Å; L27-Q29 VanDerWaalsContact C-N 3.31Å; L27-Q29 PolarHBondContact O-N 3.49Å; Q29-L31 VanDerWaalsContact C-N 3.32Å; Q29-L31 PolarHBondContact O-N 2.83Å; Q29-R32 PolarHBondContact O-N 3.17Å; Q29-W33 PolarHBondContact O-N 3.02Å; Q29-W33 VanDerWaalsContact O-N 3.17Å
30C46.7Very low44.4Very low79 Ų79131 Ų13153%0.53467%0.666SS.*Hα-helixtrans-58.8-42.7173.6-66.60000112L26 L27 R32 W33L26-C30 PolarHBondContact O-N 3.36Å; L26-C30 PolarHBondContact O-SG 3.28Å; L26-C30 VanDerWaalsContact O-SG 3.35Å; L27-C30 PolarHBondContact O-N 3.38Å; C30-R32 PolarHBondContact O-N 3.3Å; C30-W33 PolarHBondContact O-N 3.38Å
31L45.1Very low43Very low143 Ų143131 Ų13175%0.74968%0.678SS**Hα-helixtrans-69.5-13.3175.2-71.8170.2000114.2L27 Q29L27-L31 WeakPolarHBondContact O-CB 3.41Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.47Å; Q29-L31 VanDerWaalsContact C-N 3.32Å; Q29-L31 PolarHBondContact O-N 2.83Å
32R41.7Very low41.5Very low210 Ų210132 Ų13279%0.79270%0.695SS**Hα-helixtrans-97.3-10.6175.3-76.7174.7-178.8-151.60.8113.9A28 Q29 C30A28-R32 WeakPolarHBondContact O-CD 3.5Å; A28-R32 WeakPolarHBondContact O-CG 3.37Å; A28-R32 PolarHBondContact O-N 3.31Å; Q29-R32 PolarHBondContact O-N 3.17Å; C30-R32 PolarHBondContact O-N 3.3Å
33W35.4Very low40Very low227 Ų227134.9 Ų134.986%0.8671%0.711SS**Hα-helixtrans-94.6-21.6-180-142.9-75.3000113.5Q29 C30Q29-W33 PolarHBondContact O-N 3.02Å; Q29-W33 VanDerWaalsContact O-N 3.17Å; C30-W33 PolarHBondContact O-N 3.38Å
34H38Very low38.4Very low163 Ų163143.4 Ų143.476%0.75573%0.733SS**SBendtrans-88.3125.3168.4-94.7-69.3000111.4
35C30.8Very low36.7Very low118 Ų118147.3 Ų147.380%0.79775%0.747SS**  trans75.6114-178.5-570000116
36P30.7Very low35.1Very low118 Ų118150 Ų15077%0.76676%0.761SS**  -126.2152.2121.937.1-32.4000113.5
37R31.2Very low33.5Very low241 Ų241152.2 Ų152.291%0.90977%0.774SS**  trans74.967.2166-56.1-174.8-177.9-152-2119.2
38R26Very low31.9Very low244 Ų244149.9 Ų149.992%0.92178%0.778SS**  -99.9128.8108.9-100.1-171.8172.9-170.7-1.4107.6
39L29.1Very low30.5Very low165 Ų165157.6 Ų157.686%0.86481%0.807SS**  trans152.996.3151.1-88.4165.4000111.8
40L26.8Very low29.5Very low181 Ų181161 Ų16195%0.94882%0.823SS**  trans-179141.3130.1-120.271.5000107
41G23.3Very low28.4Very low72 Ų72166.2 Ų166.274%0.74284%0.839SS**  cis-148.6174.2-6.700000110.5
42A23.9Very low27.5Very low102 Ų102164.5 Ų164.584%0.84384%0.837SS**  trans-101.4124.2-174.800000112.5
43C22.1Very low27.3Very low114 Ų114161.7 Ų161.777%0.7784%0.843SS**  trans-167.7131.3162.1-92.50000106.7
44W24.2Very low26.8Very low245 Ų245155.9 Ų155.993%0.92884%0.837SS**  cis-128.81651.6-66-43000111.9
45M23.8Very low26.4Very low179 Ų179156.8 Ų156.888%0.88284%0.841SS**  trans-115131.9161-95-86.6-7300107.9
46L23.2Very low26.2Very low158 Ų158157.2 Ų157.283%0.82784%0.843SS**  trans-155.2135.6155.3-144.277.7000111
47N23.1Very low26.2Very low157 Ų157157.5 Ų157.584%0.8484%0.843SS**  trans2.1142.9169.2-56-6.8000120.9
48G23.3Very low26.1Very low68 Ų68151.4 Ų151.470%0.70183%0.834SS**  cis158.9-164.3-100000114.5
49Q23.3Very low26.3Very low203 Ų203145.2 Ų145.295%0.94983%0.826SS**  trans66119.7180-71.6-178.7-106.800117.7
50E27.4Very low26.3Very low195 Ų195143.3 Ų143.391%0.91182%0.823SS**  trans-91.5132.7160.2-61.4170.6105.100109.2
51E24Very low26.8Very low187 Ų187143.5 Ų143.587%0.87482%0.819SS**  trans-162.2171.8149.1-124.7-168.9-157.500109.9
52P27.4Very low27.6Very low108 Ų108147 Ų14770%0.70182%0.821SS**  -103.1174.6-10239.4-35.4000115.2S54P52-S54 PolarHBondContact O-N 3.41Å
53V37.3Very low27.7Very low151 Ų151150.7 Ų150.792%0.91582%0.821SS**  trans-57.2119.8-178.3179.30000112.7
54S25Very low28.1Very low105 Ų105151.5 Ų151.573%0.73482%0.821SS**  trans-106.3146.6165.457.20000111.1P52P52-S54 PolarHBondContact O-N 3.41Å
55Q29.1Very low28.1Very low181 Ų181144.2 Ų144.285%0.84681%0.808SS**  trans-71.8145.1-177.3-65.2171.9-15.500111.4T57Q55-T57 PolarHBondContact O-N 3.07Å
56P26.9Very low28.4Very low127 Ų127146.6 Ų146.683%0.82581%0.807SS**  trans-73.2110.9174.729.4-33.1000111.1
57T30Very low28.9Very low125 Ų125146.9 Ų146.977%0.76780%0.804SS**PPolyproline II helixtrans-58.9138.2164.1-45.70000109.6Q55Q55-T57 PolarHBondContact O-N 3.07Å
58P28.6Very low29.6Very low112 Ų112145.4 Ų145.473%0.72779%0.792SS**PPolyproline II helixtrans-65.1137.3-179.925.9-34.9000111.9
59P31.5Very low30.1Very low115 Ų115148.2 Ų148.275%0.74779%0.791SS**PPolyproline II helixtrans-69.5154.9168.331.2-34.4000110.8
60P27.4Very low31.4Very low124 Ų124142.9 Ų142.981%0.80577%0.774SS**PPolyproline II helixtrans-72.8152.4-173.130-36.1000113.5N62P60-N62 PolarHBondContact O-N 2.78Å; P60-N62 VanDerWaalsContact O-N 3.16Å
61E38.4Very low32.9Very low186 Ų186134.1 Ų134.187%0.86973%0.734SS**SBendtrans-69.2104.7171.2-60.8177.3129.700110.5
62N40.4Very low35.2Very low144 Ų144128.1 Ų128.177%0.7771%0.71SS**  trans17094.6136.4-95-64.4000112P60P60-N62 PolarHBondContact O-N 2.78Å; P60-N62 VanDerWaalsContact O-N 3.16Å
63E25.2Very low37.5Very low181 Ų181129.9 Ų129.985%0.84671%0.713SS**  trans-137.3115.7146.6-79.3-156.8146.200109.3S65E63-S65 PolarHBondContact O-N 2.81Å
64V31.4Very low39.7Very low130 Ų130127.2 Ų127.279%0.78870%0.699SS**  trans-79.975.1-178-175.70000109.7R66V64-R66 PolarHBondContact O-N 3.4Å
65S24.2Very low42.4Very low93 Ų93127.1 Ų127.165%0.6569%0.687SS**  trans-59105.8168.6-76.80000110E63 Q67E63-S65 PolarHBondContact O-N 2.81Å; S65-Q67 PolarHBondContact O-N 3.4Å
66R30.1Very low45.1Very low229 Ų229121.4 Ų121.486%0.86466%0.661SS**  trans-68.584.3167.3-80-173.1175.7171.4-0.6109.9V64V64-R66 PolarHBondContact O-N 3.4Å
67Q32.8Very low47.8Very low163 Ų163117.4 Ų117.476%0.76264%0.638SS**  trans-53.4138.9156.5-62.6173.7-2.500108.2S65 L69S65-Q67 PolarHBondContact O-N 3.4Å; Q67-L69 PolarHBondContact O-N 2.95Å; Q67-L69 VanDerWaalsContact O-N 3.17Å
68H37.8Very low50.6Low127 Ų127114 Ų11459%0.58862%0.623SS**  trans-45.6122.7179.5-58.786.4000110.3P70 H436H68-P70 WeakPolarHBondContact O-CD 3.4Å; H68-H436 AromaticContact NE2-CD2 3.57Å; H68-H436 AromaticContact NE2-NE2 3.58Å
69L33.8Very low53.4Low127 Ų127109.1 Ų109.167%0.66559%0.59SS**PPolyproline II helixtrans-59126.2-172.7-111.473.8000110.2Q67Q67-L69 PolarHBondContact O-N 2.95Å; Q67-L69 VanDerWaalsContact O-N 3.17Å
70P50.5Low56.1Low91 Ų91106.8 Ų106.859%0.59157%0.567SS**PPolyproline II helixtrans-55.1155.4157.5-20.333.2000109.4H68 T72H68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-T72 PolarHBondContact O-N 2.79Å
71A58.9Low59Low10 Ų10107.4 Ų107.48%0.08356%0.559CS.*PPolyproline II helixtrans-50.8132.3161.800000108.1E75 M76 L96 M97A71-E75 HydrophobicContact CB-CB 4.47Å; A71-M76 HydrophobicContact CB-CG 3.63Å; A71-M76 HydrophobicContact CB-SD 4.47Å; A71-L96 HydrophobicContact CB-CD1 4.15Å; A71-L96 HydrophobicContact CB-CG 4.43Å; A71-M97 HydrophobicContact CB-CG 3.51Å; A71-M97 HydrophobicContact CB-SD 3.88Å; A71-M97 PolarHBondContact N-SD 3.35Å; A71-M97 VanDerWaalsContact N-SD 3.42Å
72T72.4Confident61.4Low61 Ų61101.3 Ų101.337%0.37453%0.531SS..PPolyproline II helixtrans-62.1148-178.365.30000108.9P70 P74 E75 M76P70-T72 PolarHBondContact O-N 2.79Å; T72-P74 VanDerWaalsContact O-N 3.13Å; T72-E75 VanDerWaalsContact CB-OE2 3.28Å; T72-E75 WeakPolarHBondContact CB-OE2 3.27Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.41Å; T72-E75 PolarHBondContact N-OE2 3.17Å; T72-E75 WeakPolarHBondContact O-CA 3.01Å; T72-E75 WeakPolarHBondContact O-CB 3.42Å; T72-E75 PolarHBondContact O-N 3.18Å; T72-E75 VanDerWaalsContact OG1-CG 3.27Å; T72-E75 WeakPolarHBondContact OG1-CG 3.27Å; T72-E75 PolarHBondContact OG1-OE2 2.83Å; T72-M76 PolarHBondContact O-N 3.5Å
73L76.3Confident63.6Low146 Ų14694.8 Ų94.876%0.76450%0.496SS*.Hα-helixtrans-54-35-177.1-158.2152.9000112.7A77L73-A77 WeakPolarHBondContact O-CB 3.31Å; L73-A77 PolarHBondContact O-N 3.48Å
74P82.3Confident66.5Low94 Ų9489.2 Ų89.261%0.6147%0.47SS*.Hα-helixtrans-63.1-42.6167.9-24.736.5000115.3T72 A77 A78T72-P74 VanDerWaalsContact O-N 3.13Å; P74-A77 PolarHBondContact O-N 3.16Å; P74-A78 WeakPolarHBondContact O-CB 3.11Å; P74-A78 PolarHBondContact O-N 3.41Å
75E83.3Confident69.3Low104 Ų10486.9 Ų86.949%0.48646%0.456SS..Hα-helixtrans-65.3-42.1177.5-71163.1136.700111.6A71 T72 A77 A78 F79A71-E75 HydrophobicContact CB-CB 4.47Å; T72-E75 VanDerWaalsContact CB-OE2 3.28Å; T72-E75 WeakPolarHBondContact CB-OE2 3.27Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.41Å; T72-E75 PolarHBondContact N-OE2 3.17Å; T72-E75 WeakPolarHBondContact O-CA 3.01Å; T72-E75 WeakPolarHBondContact O-CB 3.42Å; T72-E75 PolarHBondContact O-N 3.18Å; T72-E75 VanDerWaalsContact OG1-CG 3.27Å; T72-E75 WeakPolarHBondContact OG1-CG 3.27Å; T72-E75 PolarHBondContact OG1-OE2 2.83Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.96Å; E75-A78 PolarHBondContact O-N 3.27Å; E75-F79 WeakPolarHBondContact O-CB 3.17Å; E75-F79 PolarHBondContact O-N 2.91Å
76M84.6Confident72.4Confident61 Ų6184.5 Ų84.530%0.344%0.438SS..Hα-helixtrans-60.2-44.5173.1-64.3179.774.600111.1A71 T72 F79 Y80 L201A71-M76 HydrophobicContact CB-CG 3.63Å; A71-M76 HydrophobicContact CB-SD 4.47Å; T72-M76 PolarHBondContact O-N 3.5Å; M76-F79 PolarHBondContact O-N 3.24Å; M76-Y80 VanDerWaalsContact O-CD2 3.23Å; M76-Y80 WeakPolarHBondContact O-CD2 3.2Å; M76-Y80 PolarHBondContact O-N 3.12Å; M76-L201 HydrophobicContact CE-CB 4.24Å; M76-L201 HydrophobicContact CE-CD1 3.65Å; M76-L201 HydrophobicContact CG-CD1 4.36Å
77A84.9Confident75.2Confident42 Ų4274 Ų7435%0.34740%0.4SS..Hα-helixtrans-64.5-42.5177.700000112.3L73 P74 E75 Y80 Q81L73-A77 WeakPolarHBondContact O-CB 3.31Å; L73-A77 PolarHBondContact O-N 3.48Å; P74-A77 PolarHBondContact O-N 3.16Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.96Å; A77-Y80 PolarHBondContact O-N 3.28Å; A77-Q81 WeakPolarHBondContact O-CG 3.44Å; A77-Q81 PolarHBondContact O-N 2.99Å
78A87.3Confident77.8Confident53 Ų5375.3 Ų75.344%0.43841%0.405SS..Hα-helixtrans-64-44.4176.600000111.8P74 E75 Y80 Q81 E82P74-A78 WeakPolarHBondContact O-CB 3.11Å; P74-A78 PolarHBondContact O-N 3.41Å; E75-A78 PolarHBondContact O-N 3.27Å; A78-Y80 PolarHBondContact O-N 3.09Å; A78-Q81 WeakPolarHBondContact O-CB 3.49Å; A78-Q81 PolarHBondContact O-N 2.89Å; A78-Q81 VanDerWaalsContact O-N 3.15Å; A78-E82 PolarHBondContact O-N 3.27Å
79F88.6Confident79.7Confident10 Ų1072 Ų724%0.04441%0.406CS..Hα-helixtrans-60.7-42.7173.6172.7-100.6000112E75 M76 Q81 E82 L83 R94 L96 L101 F103 L200E75-F79 WeakPolarHBondContact O-CB 3.17Å; E75-F79 PolarHBondContact O-N 2.91Å; M76-F79 PolarHBondContact O-N 3.24Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3Å; F79-E82 PolarHBondContact O-N 2.86Å; F79-L83 HydrophobicContact CE1-CD2 4.09Å; F79-L83 HydrophobicContact CZ-CD2 4.34Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 PolarHBondContact O-N 2.85Å; F79-R94 HydrophobicContact CE2-CB 4.32Å; F79-L96 HydrophobicContact CB-CD1 4.16Å; F79-L96 HydrophobicContact CB-CD2 4.06Å; F79-L96 HydrophobicContact CD1-CD2 3.66Å; F79-L96 HydrophobicContact CD2-CD2 4.38Å; F79-L96 HydrophobicContact CE1-CD2 4.24Å; F79-L96 HydrophobicContact CG-CD2 3.75Å; F79-L101 HydrophobicContact CE1-CD1 4.07Å; F79-L101 HydrophobicContact CE2-CD1 3.99Å; F79-L101 HydrophobicContact CZ-CD1 3.47Å; F79-L101 VanDerWaalsContact CZ-CD1 3.47Å; F79-F103 HydrophobicContact CE2-CE1 4.09Å; F79-L200 HydrophobicContact CE1-CD2 3.99Å; F79-L200 HydrophobicContact CZ-CD2 4.27Å
80Y88.5Confident82.3Confident67 Ų6771.9 Ų71.926%0.26340%0.402SS..Hα-helixtrans-66.4-32.1174.5-83.7-62.8000112.7M76 A77 A78 L83 H84 L201M76-Y80 VanDerWaalsContact O-CD2 3.23Å; M76-Y80 WeakPolarHBondContact O-CD2 3.2Å; M76-Y80 PolarHBondContact O-N 3.12Å; A77-Y80 PolarHBondContact O-N 3.28Å; A78-Y80 PolarHBondContact O-N 3.09Å; Y80-L83 HydrophobicContact CD1-CD2 4.11Å; Y80-L83 HydrophobicContact CE1-CD2 4.21Å; Y80-H84 PolarHBondContact O-N 3.06Å; Y80-H84 PolarHBondContact O-ND1 3.39Å; Y80-L201 HydrophobicContact CE2-CD1 3.78Å; Y80-L201 HydrophobicContact CE2-CG 4.37Å
81Q87.1Confident84.2Confident136 Ų13670 Ų7064%0.63639%0.389SS*.Hα-helixtrans-65.6-42.9171.7-72.4171.511.600111.5A77 A78 F79 H84 T85A77-Q81 WeakPolarHBondContact O-CG 3.44Å; A77-Q81 PolarHBondContact O-N 2.99Å; A78-Q81 WeakPolarHBondContact O-CB 3.49Å; A78-Q81 PolarHBondContact O-N 2.89Å; A78-Q81 VanDerWaalsContact O-N 3.15Å; F79-Q81 VanDerWaalsContact C-N 3.32Å; F79-Q81 PolarHBondContact O-N 3Å; Q81-H84 PolarHBondContact O-N 3.34Å; Q81-T85 PolarHBondContact O-N 3.16Å; Q81-T85 PolarHBondContact O-OG1 3.01Å
82E89.2Confident85.8Confident59 Ų5971.7 Ų71.728%0.27640%0.395SS..Hα-helixtrans-63.1-43.5174.4-166.6179.2-147.800111.9A78 F79 H84 T85 R94 F103A78-E82 PolarHBondContact O-N 3.27Å; F79-E82 PolarHBondContact O-N 2.86Å; E82-H84 PolarHBondContact O-N 3.29Å; E82-T85 WeakPolarHBondContact O-CB 3.36Å; E82-T85 PolarHBondContact O-N 3.17Å; E82-R94 VanDerWaalsContact CD-NE 3.28Å; E82-R94 IonicContact OE1-CZ 2.7Å; E82-R94 IonicContact OE1-NE 2.73Å; E82-R94 PolarHBondContact OE1-NE 3.1Å; E82-R94 IonicContact OE1-NH2 3.01Å; E82-R94 PolarHBondContact OE1-NH2 2.84Å; E82-R94 WeakPolarHBondContact OE2-CD 3.15Å; E82-R94 WeakPolarHBondContact OE2-CG 3.43Å; E82-R94 IonicContact OE2-CZ 3.27Å; E82-R94 IonicContact OE2-NE 2.82Å; E82-R94 PolarHBondContact OE2-NE 2.88Å; E82-F103 HydrophobicContact CG-CZ 4.04Å
83L87.4Confident86.6Confident7 Ų772 Ų724%0.03740%0.397CS..Hα-helixtrans-63.9-25.9178.9-173.663.3000113.5F79 Y80 F103 A105 I142 L200F79-L83 HydrophobicContact CE1-CD2 4.09Å; F79-L83 HydrophobicContact CZ-CD2 4.34Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 PolarHBondContact O-N 2.85Å; Y80-L83 HydrophobicContact CD1-CD2 4.11Å; Y80-L83 HydrophobicContact CE1-CD2 4.21Å; L83-F103 HydrophobicContact CD1-CB 4.13Å; L83-F103 HydrophobicContact CD1-CD1 4.43Å; L83-F103 HydrophobicContact CD1-CD2 3.66Å; L83-F103 HydrophobicContact CD1-CE2 4.12Å; L83-F103 HydrophobicContact CD1-CG 3.84Å; L83-A105 WeakPolarHBondContact O-CB 3.48Å; L83-I142 HydrophobicContact CD1-CD1 4.11Å; L83-I142 HydrophobicContact CD1-CG1 3.71Å; L83-I142 HydrophobicContact CD2-CD1 4.48Å; L83-L200 HydrophobicContact CD2-CD2 3.87Å
84H85.1Confident87.2Confident64 Ų6469.5 Ų69.530%0.29638%0.377SS..THydrogen-bonded Turntrans-91.6-0.1172.6-63.7117.4000113.5Y80 Q81 E82 R138Y80-H84 PolarHBondContact O-N 3.06Å; Y80-H84 PolarHBondContact O-ND1 3.39Å; Q81-H84 PolarHBondContact O-N 3.34Å; E82-H84 PolarHBondContact O-N 3.29Å; H84-R138 WeakPolarHBondContact O-CD 3.26Å
85T89.6Confident87.3Confident81 Ų8172 Ų7250%0.49738%0.381SS..SBendtrans-92.5121.5-179.7-64.10000109.7Q81 E82 T87Q81-T85 PolarHBondContact O-N 3.16Å; Q81-T85 PolarHBondContact O-OG1 3.01Å; E82-T85 WeakPolarHBondContact O-CB 3.36Å; E82-T85 PolarHBondContact O-N 3.17Å; T85-T87 PolarHBondContact O-N 3.31Å
86P90.2Very high87.2Confident42 Ų4268 Ų6827%0.27336%0.363SS..  trans-61119.9-175.3-26.336.2000113.1Q88 A105 E107P86-Q88 PolarHBondContact O-N 2.95Å; P86-Q88 VanDerWaalsContact O-N 3.1Å; P86-A105 CarbonylContact C-O 3.56Å; P86-A105 WeakPolarHBondContact CA-O 3.26Å; P86-E107 HydrophobicContact CG-CG 3.9Å
87T89.5Confident86.9Confident10 Ų1069.2 Ų69.26%0.06137%0.369CS..  trans-79.610.8-175.665.70000113.5T85 G89 Q90 M92 F103 S104 A105T85-T87 PolarHBondContact O-N 3.31Å; T87-G89 PolarHBondContact O-N 3.36Å; T87-Q90 WeakPolarHBondContact CB-O 3.34Å; T87-Q90 VanDerWaalsContact O-CB 3.29Å; T87-Q90 WeakPolarHBondContact O-CB 3.43Å; T87-Q90 PolarHBondContact O-N 3.37Å; T87-Q90 PolarHBondContact OG1-O 3.48Å; T87-M92 HydrophobicContact CG2-CE 4.33Å; T87-M92 HydrophobicContact CG2-CG 3.65Å; T87-F103 HydrophobicContact CG2-CD2 4.38Å; T87-F103 HydrophobicContact CG2-CE2 4.11Å; T87-S104 PolarHBondContact OG1-OG 3.1Å; T87-A105 HydrophobicContact CG2-CB 4.21Å; T87-A105 PolarHBondContact N-O 3.26Å; T87-A105 PolarHBondContact OG1-N 2.78Å; T87-A105 PolarHBondContact OG1-O 2.78Å
88Q86.1Confident86.1Confident189 Ų18972.7 Ų72.788%0.88338%0.378SS*.THydrogen-bonded Turntrans5323-179-54.1-172.39.900114.8P86P86-Q88 PolarHBondContact O-N 2.95Å; P86-Q88 VanDerWaalsContact O-N 3.1Å
89G79.2Confident85.8Confident58 Ų5871 Ų7160%0.59836%0.361SS*.THydrogen-bonded Turntrans91.7-2.7-176.300000114.8T87T87-G89 PolarHBondContact O-N 3.36Å
90Q87.6Confident85.7Confident125 Ų12572.9 Ų72.958%0.58437%0.371SS*.PPolyproline II helixtrans-72.7155.4168.5-59.3-178.7-13.200110.9T87 S104T87-Q90 WeakPolarHBondContact CB-O 3.34Å; T87-Q90 VanDerWaalsContact O-CB 3.29Å; T87-Q90 WeakPolarHBondContact O-CB 3.43Å; T87-Q90 PolarHBondContact O-N 3.37Å; T87-Q90 PolarHBondContact OG1-O 3.48Å; Q90-S104 PolarHBondContact O-OG 3.27Å
91T91.1Very high85.8Confident52 Ų5269.7 Ų69.732%0.31936%0.358SS..PPolyproline II helixtrans-99125.2169.3-64.50000108.8V102 F103 L117T91-V102 HydrophobicContact CG2-CG1 3.34Å; T91-F103 WeakPolarHBondContact CA-O 3.33Å; T91-L117 HydrophobicContact CG2-CD2 3.98Å
92M91.3Very high86.2Confident44 Ų4463.8 Ų63.822%0.21733%0.331CS..EExtended strand (participates in β ladder)trans-97.4142.2175.9-64.8-62.4175.900110.2T87 V102 F103T87-M92 HydrophobicContact CG2-CE 4.33Å; T87-M92 HydrophobicContact CG2-CG 3.65Å; M92-V102 CarbonylContact O-C 3.53Å; M92-V102 WeakPolarHBondContact O-CA 3.47Å; M92-F103 HydrophobicContact CB-CD1 4.16Å; M92-F103 HydrophobicContact CB-CD2 4.29Å; M92-F103 HydrophobicContact CB-CE1 3.79Å; M92-F103 HydrophobicContact CB-CE2 3.93Å; M92-F103 HydrophobicContact CB-CG 4.4Å; M92-F103 HydrophobicContact CB-CZ 3.67Å; M92-F103 HydrophobicContact CG-CE2 4.19Å; M92-F103 HydrophobicContact CG-CZ 4.2Å; M92-F103 PolarHBondContact N-O 3.34Å; M92-F103 PolarHBondContact O-N 2.92Å
93V90.1Very high86.5Confident67 Ų6761 Ų6141%0.40632%0.318SS..EExtended strand (participates in β ladder)trans-115.6128170.6-175.50000108.3L100 L101 V102V93-L100 HydrophobicContact CG1-CD1 3.83Å; V93-L100 HydrophobicContact CG1-CG 4.39Å; V93-L101 WeakPolarHBondContact CA-O 3.39Å; V93-V102 HydrophobicContact CG1-CG2 4.35Å; V93-V102 HydrophobicContact CG2-CG1 4.39Å; V93-V102 HydrophobicContact CG2-CG2 4.22Å
94R88.2Confident86.9Confident94 Ų9460.9 Ų60.936%0.35532%0.318SS..EExtended strand (participates in β ladder)trans-138.7136.3178.4-67.4-65.9175-105.24110.9F79 E82 L101 F103F79-R94 HydrophobicContact CE2-CB 4.32Å; E82-R94 VanDerWaalsContact CD-NE 3.28Å; E82-R94 IonicContact OE1-CZ 2.7Å; E82-R94 IonicContact OE1-NE 2.73Å; E82-R94 PolarHBondContact OE1-NE 3.1Å; E82-R94 IonicContact OE1-NH2 3.01Å; E82-R94 PolarHBondContact OE1-NH2 2.84Å; E82-R94 WeakPolarHBondContact OE2-CD 3.15Å; E82-R94 WeakPolarHBondContact OE2-CG 3.43Å; E82-R94 IonicContact OE2-CZ 3.27Å; E82-R94 IonicContact OE2-NE 2.82Å; E82-R94 PolarHBondContact OE2-NE 2.88Å; R94-L101 PolarHBondContact N-O 2.93Å; R94-L101 PolarHBondContact O-N 2.81Å; R94-F103 HydrophobicContact CB-CE1 4.24Å; R94-F103 HydrophobicContact CG-CE1 3.71Å; R94-F103 HydrophobicContact CG-CZ 4.32Å
95Q84.3Confident87.4Confident148 Ų14858 Ų5869%0.69231%0.305SS*.EExtended strand (participates in β ladder)trans-94.3127.3164.5-174.8171.7-16.100108.4M97 K99 L100Q95-M97 WeakPolarHBondContact CG-O 3.4Å; Q95-M97 PolarHBondContact NE2-O 3.42Å; Q95-K99 WeakPolarHBondContact CA-O 3.41Å; Q95-L100 HydrophobicContact CB-CD1 4.03Å
96L81.3Confident87.6Confident19 Ų1959.8 Ų59.810%0.09930%0.303CS..EExtended strand (participates in β ladder)trans-130.2119.3172.4-175.273.2000107.9A71 F79 H98 K99 L201A71-L96 HydrophobicContact CB-CD1 4.15Å; A71-L96 HydrophobicContact CB-CG 4.43Å; F79-L96 HydrophobicContact CB-CD1 4.16Å; F79-L96 HydrophobicContact CB-CD2 4.06Å; F79-L96 HydrophobicContact CD1-CD2 3.66Å; F79-L96 HydrophobicContact CD2-CD2 4.38Å; F79-L96 HydrophobicContact CE1-CD2 4.24Å; F79-L96 HydrophobicContact CG-CD2 3.75Å; L96-H98 PolarHBondContact O-N 3.48Å; L96-K99 PolarHBondContact N-O 2.94Å; L96-K99 WeakPolarHBondContact O-CA 3.24Å; L96-K99 WeakPolarHBondContact O-CB 3.18Å; L96-K99 PolarHBondContact O-N 2.71Å; L96-L201 HydrophobicContact CD2-CD1 3.67Å; L96-L201 HydrophobicContact CD2-CD2 3.81Å; L96-L201 HydrophobicContact CD2-CG 4.43Å
97M77.8Confident87.8Confident87 Ų8761.3 Ų61.343%0.42931%0.306SS..THydrogen-bonded Turntrans54.4-129.7-164.8-49.2175.160.300110A71 Q95 K99A71-M97 HydrophobicContact CB-CG 3.51Å; A71-M97 HydrophobicContact CB-SD 3.88Å; A71-M97 PolarHBondContact N-SD 3.35Å; A71-M97 VanDerWaalsContact N-SD 3.42Å; Q95-M97 WeakPolarHBondContact CG-O 3.4Å; Q95-M97 PolarHBondContact NE2-O 3.42Å; M97-K99 VanDerWaalsContact C-N 3.33Å
98H69.5Low88Confident115 Ų11561 Ų6153%0.53230%0.304SS..THydrogen-bonded Turntrans-85.10.8171.651.9-95000113.6L96 D146L96-H98 PolarHBondContact O-N 3.48Å; H98-D146 IonicContact CD2-OD2 3.41Å; H98-D146 PolarHBondContact CD2-OD2 3.48Å; H98-D146 IonicContact NE2-OD2 2.69Å
99K79.8Confident88.4Confident18 Ų1853.3 Ų53.38%0.07827%0.27CS..EExtended strand (participates in β ladder)trans-96.8113.5-171-56.1-165.6172.3-173.10111Q95 L96 M97 L101 D146 D149Q95-K99 WeakPolarHBondContact CA-O 3.41Å; L96-K99 PolarHBondContact N-O 2.94Å; L96-K99 WeakPolarHBondContact O-CA 3.24Å; L96-K99 WeakPolarHBondContact O-CB 3.18Å; L96-K99 PolarHBondContact O-N 2.71Å; M97-K99 VanDerWaalsContact C-N 3.33Å; K99-L101 HydrophobicContact CB-CD2 4.3Å; K99-L101 HydrophobicContact CB-CG 4.32Å; K99-D146 HydrophobicContact CB-CB 4.32Å; K99-D146 WeakPolarHBondContact CE-OD2 3.28Å; K99-D146 HydrophobicContact CG-CB 4.07Å; K99-D149 IonicContact NZ-OD1 2.69Å; K99-D149 PolarHBondContact NZ-OD1 3.14Å; K99-D149 IonicContact NZ-OD2 2.82Å; K99-D149 PolarHBondContact NZ-OD2 3.37Å
100L86.1Confident89.2Confident48 Ų4854 Ų5425%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-86.6116.8170.1-164.256.5000109.1V93 Q95 W145V93-L100 HydrophobicContact CG1-CD1 3.83Å; V93-L100 HydrophobicContact CG1-CG 4.39Å; Q95-L100 HydrophobicContact CB-CD1 4.03Å; L100-W145 HydrophobicContact CB-CE3 4.19Å; L100-W145 HydrophobicContact CD2-CE3 3.56Å; L100-W145 HydrophobicContact CD2-CZ3 3.7Å; L100-W145 HydrophobicContact CG-CE3 3.65Å; L100-W145 HydrophobicContact CG-CZ3 3.99Å; L100-W145 PolarHBondContact O-N 2.77Å
101L92.4Very high89.4Confident1 Ų155.9 Ų55.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-118.9132.8-171.5-59.1178000109.6F79 V93 R94 K99 I142 V144F79-L101 HydrophobicContact CE1-CD1 4.07Å; F79-L101 HydrophobicContact CE2-CD1 3.99Å; F79-L101 HydrophobicContact CZ-CD1 3.47Å; F79-L101 VanDerWaalsContact CZ-CD1 3.47Å; V93-L101 WeakPolarHBondContact CA-O 3.39Å; R94-L101 PolarHBondContact N-O 2.93Å; R94-L101 PolarHBondContact O-N 2.81Å; K99-L101 HydrophobicContact CB-CD2 4.3Å; K99-L101 HydrophobicContact CB-CG 4.32Å; L101-I142 HydrophobicContact CB-CG2 4.38Å; L101-I142 HydrophobicContact CD2-CG2 4.35Å; L101-V144 HydrophobicContact CD2-CB 4.18Å; L101-V144 HydrophobicContact CD2-CG1 3.96Å; L101-V144 HydrophobicContact CD2-CG2 3.88Å
102V94.1Very high89.6Confident11 Ų1154 Ų547%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-120.9118.4179.5-177.90000108.1T91 M92 V93 I142 L143 W145T91-V102 HydrophobicContact CG2-CG1 3.34Å; M92-V102 CarbonylContact O-C 3.53Å; M92-V102 WeakPolarHBondContact O-CA 3.47Å; V93-V102 HydrophobicContact CG1-CG2 4.35Å; V93-V102 HydrophobicContact CG2-CG1 4.39Å; V93-V102 HydrophobicContact CG2-CG2 4.22Å; V102-I142 CarbonylContact O-C 3.58Å; V102-I142 WeakPolarHBondContact O-CA 3.25Å; V102-L143 HydrophobicContact CB-CB 4.18Å; V102-L143 HydrophobicContact CB-CD2 4.26Å; V102-L143 HydrophobicContact CB-CG 4.39Å; V102-L143 PolarHBondContact N-O 3Å; V102-L143 PolarHBondContact O-N 2.73Å; V102-W145 HydrophobicContact CG2-CD2 4.11Å; V102-W145 HydrophobicContact CG2-CE3 3.8Å; V102-W145 HydrophobicContact CG2-CH2 3.72Å; V102-W145 HydrophobicContact CG2-CZ2 4.01Å; V102-W145 HydrophobicContact CG2-CZ3 3.6Å
103F95.6Very high89.6Confident0 Ų052.6 Ų52.60%025%0.247CC..EExtended strand (participates in β ladder)trans-141.8161.4-17169.5-88.3000115.5F79 E82 L83 T87 T91 M92 R94 L141 I142F79-F103 HydrophobicContact CE2-CE1 4.09Å; E82-F103 HydrophobicContact CG-CZ 4.04Å; L83-F103 HydrophobicContact CD1-CB 4.13Å; L83-F103 HydrophobicContact CD1-CD1 4.43Å; L83-F103 HydrophobicContact CD1-CD2 3.66Å; L83-F103 HydrophobicContact CD1-CE2 4.12Å; L83-F103 HydrophobicContact CD1-CG 3.84Å; T87-F103 HydrophobicContact CG2-CD2 4.38Å; T87-F103 HydrophobicContact CG2-CE2 4.11Å; T91-F103 WeakPolarHBondContact CA-O 3.33Å; M92-F103 HydrophobicContact CB-CD1 4.16Å; M92-F103 HydrophobicContact CB-CD2 4.29Å; M92-F103 HydrophobicContact CB-CE1 3.79Å; M92-F103 HydrophobicContact CB-CE2 3.93Å; M92-F103 HydrophobicContact CB-CG 4.4Å; M92-F103 HydrophobicContact CB-CZ 3.67Å; M92-F103 HydrophobicContact CG-CE2 4.19Å; M92-F103 HydrophobicContact CG-CZ 4.2Å; M92-F103 PolarHBondContact N-O 3.34Å; M92-F103 PolarHBondContact O-N 2.92Å; R94-F103 HydrophobicContact CB-CE1 4.24Å; R94-F103 HydrophobicContact CG-CE1 3.71Å; R94-F103 HydrophobicContact CG-CZ 4.32Å; F103-L141 WeakPolarHBondContact CA-O 3.41Å; F103-L141 WeakPolarHBondContact CB-O 3.35Å; F103-I142 HydrophobicContact CB-CB 4.26Å; F103-I142 HydrophobicContact CB-CG1 3.89Å; F103-I142 HydrophobicContact CB-CG2 4.25Å
104S95.9Very high89.8Confident5 Ų551.5 Ų51.54%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-135.7142.5168.7-173.30000108.3T87 Q90 L115 S140 L141T87-S104 PolarHBondContact OG1-OG 3.1Å; Q90-S104 PolarHBondContact O-OG 3.27Å; S104-L115 WeakPolarHBondContact O-CD2 3.37Å; S104-S140 WeakPolarHBondContact O-CA 3.36Å; S104-L141 PolarHBondContact N-O 2.86Å; S104-L141 PolarHBondContact O-N 3.09Å
105A95.7Very high90.1Very high4 Ų447.2 Ų47.23%0.03323%0.226CC..EExtended strand (participates in β ladder)trans-134.5146.8-17800000111.4L83 P86 T87 V139L83-A105 WeakPolarHBondContact O-CB 3.48Å; P86-A105 CarbonylContact C-O 3.56Å; P86-A105 WeakPolarHBondContact CA-O 3.26Å; T87-A105 HydrophobicContact CG2-CB 4.21Å; T87-A105 PolarHBondContact N-O 3.26Å; T87-A105 PolarHBondContact OG1-N 2.78Å; T87-A105 PolarHBondContact OG1-O 2.78Å; A105-V139 CarbonylContact C-O 3.56Å; A105-V139 WeakPolarHBondContact CA-O 3.48Å
106R93.9Very high90.6Very high118 Ų11844.5 Ų44.545%0.44521%0.214SC..EExtended strand (participates in β ladder)trans-153.1147.1-169.2-170.7173.2-177.5155.811.2111.5V108 C114 L115 V139R106-V108 HydrophobicContact CG-CG2 4.16Å; R106-C114 PolarHBondContact NH1-O 3.12Å; R106-L115 HydrophobicContact CB-CD1 4.27Å; R106-L115 HydrophobicContact CB-CD2 3.93Å; R106-L115 HydrophobicContact CB-CG 3.98Å; R106-V139 HydrophobicContact CB-CG2 4.41Å; R106-V139 PolarHBondContact N-O 2.71Å; R106-V139 WeakPolarHBondContact O-CG2 3.26Å; R106-V139 PolarHBondContact O-N 3.45Å
107E94.6Very high91.3Very high74 Ų7443.7 Ų43.735%0.34621%0.21SC..EExtended strand (participates in β ladder)trans-89.3131.5163.4-78.5168.6166.800109.9P86 R138P86-E107 HydrophobicContact CG-CG 3.9Å; E107-R138 HydrophobicContact CG-CG 3.62Å; E107-R138 IonicContact OE1-CZ 3.47Å; E107-R138 IonicContact OE1-NE 3.66Å; E107-R138 PolarHBondContact OE1-NE 3.14Å; E107-R138 IonicContact OE1-NH2 2.81Å; E107-R138 PolarHBondContact OE1-NH2 2.81Å
108V93.7Very high91.8Very high3 Ų346.1 Ų46.12%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-127.3130.8-175.5173.90000109.9R106 I126 V131 Q136 E137 V139R106-V108 HydrophobicContact CG-CG2 4.16Å; V108-I126 HydrophobicContact CB-CD1 4.43Å; V108-I126 HydrophobicContact CG1-CB 4.34Å; V108-I126 HydrophobicContact CG1-CD1 4.32Å; V108-I126 HydrophobicContact CG1-CG2 3.91Å; V108-I126 HydrophobicContact CG2-CD1 4.06Å; V108-V131 HydrophobicContact CG1-CG2 4.33Å; V108-Q136 CarbonylContact O-C 3.56Å; V108-Q136 WeakPolarHBondContact O-CA 3.22Å; V108-E137 PolarHBondContact N-O 3.44Å; V108-E137 PolarHBondContact O-N 3.21Å; V108-V139 HydrophobicContact CB-CG2 4.24Å; V108-V139 HydrophobicContact CG2-CG2 3.59Å
109D94.6Very high92.8Very high29 Ų2945.2 Ų45.216%0.15522%0.219CC..EExtended strand (participates in β ladder)trans-104.6-172.2177.673.9-10.3000111.3R111 G112 Q136D109-R111 PolarHBondContact O-N 3.4Å; D109-R111 VanDerWaalsContact OD1-CB 3.26Å; D109-R111 WeakPolarHBondContact OD1-CB 3.34Å; D109-R111 WeakPolarHBondContact OD1-CG 3.36Å; D109-R111 IonicContact OD1-CZ 3.19Å; D109-R111 PolarHBondContact OD1-N 2.88Å; D109-R111 IonicContact OD1-NH1 3.15Å; D109-R111 PolarHBondContact OD1-NH1 3.46Å; D109-R111 IonicContact OD2-CZ 3.92Å; D109-R111 IonicContact OD2-NH1 3.05Å; D109-R111 PolarHBondContact OD2-NH1 2.81Å; D109-G112 PolarHBondContact O-N 2.81Å; D109-Q136 HydrophobicContact CB-CG 4.18Å
110H95.1Very high93.5Very high73 Ų7344.7 Ų44.734%0.33822%0.218SC..THydrogen-bonded Turntrans-53.8-16.9175.175.7-67.6000115.8G112 G129 V131 V133H110-G112 PolarHBondContact O-N 2.95Å; H110-G129 PolarHBondContact O-N 2.71Å; H110-V131 WeakPolarHBondContact CA-O 3.32Å; H110-V133 HydrophobicContact CB-CB 4.47Å; H110-V133 HydrophobicContact CB-CG2 4.01Å
111R93.4Very high93.9Very high163 Ų16343.5 Ų43.562%0.61522%0.217SC*.THydrogen-bonded Turntrans-77.3-10175.2-47.5-169.6-27.6-76.74.6112.2D109 P128D109-R111 PolarHBondContact O-N 3.4Å; D109-R111 VanDerWaalsContact OD1-CB 3.26Å; D109-R111 WeakPolarHBondContact OD1-CB 3.34Å; D109-R111 WeakPolarHBondContact OD1-CG 3.36Å; D109-R111 IonicContact OD1-CZ 3.19Å; D109-R111 PolarHBondContact OD1-N 2.88Å; D109-R111 IonicContact OD1-NH1 3.15Å; D109-R111 PolarHBondContact OD1-NH1 3.46Å; D109-R111 IonicContact OD2-CZ 3.92Å; D109-R111 IonicContact OD2-NH1 3.05Å; D109-R111 PolarHBondContact OD2-NH1 2.81Å; R111-P128 WeakPolarHBondContact O-CG 3.5Å
112G93.8Very high94.2Very high13 Ų1343.6 Ų43.613%0.13422%0.218CC..  trans78.9-173.5-17400000112.3D109 H110 I126D109-G112 PolarHBondContact O-N 2.81Å; H110-G112 PolarHBondContact O-N 2.95Å; G112-I126 CarbonylContact C-O 3.38Å; G112-I126 WeakPolarHBondContact CA-O 3.47Å
113G92.6Very high94.3Very high14 Ų1444.7 Ų44.714%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-170.5167.7-176.200000113I126G113-I126 PolarHBondContact N-O 3.34Å; G113-I126 PolarHBondContact O-N 3.07Å
114C93.3Very high94.4Very high44 Ų4444.7 Ų44.730%0.29723%0.226SC..EExtended strand (participates in β ladder)trans-129.3139.8172.2-169.90000109.3R106 L124 L125R106-C114 PolarHBondContact NH1-O 3.12Å; C114-L124 WeakPolarHBondContact CA-O 3.35Å; C114-L125 HydrophobicContact CB-CD1 4.48Å
115L95.6Very high94.5Very high4 Ų448.4 Ų48.42%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-119.1139.2168.7-64.685.5000107.4S104 R106 S123 L124 I126 V139 L141S104-L115 WeakPolarHBondContact O-CD2 3.37Å; R106-L115 HydrophobicContact CB-CD1 4.27Å; R106-L115 HydrophobicContact CB-CD2 3.93Å; R106-L115 HydrophobicContact CB-CG 3.98Å; L115-S123 CarbonylContact O-C 3.53Å; L115-S123 VanDerWaalsContact O-CA 3.27Å; L115-S123 WeakPolarHBondContact O-CA 3.33Å; L115-L124 PolarHBondContact N-O 2.82Å; L115-L124 PolarHBondContact O-N 3.47Å; L115-I126 HydrophobicContact CD1-CD1 4.16Å; L115-V139 HydrophobicContact CD1-CG2 3.74Å; L115-V139 HydrophobicContact CD2-CG2 4.31Å; L115-L141 HydrophobicContact CB-CB 4.03Å; L115-L141 HydrophobicContact CB-CD2 4.09Å; L115-L141 HydrophobicContact CD2-CB 4.22Å
116M94Very high94.6Very high92 Ų9248.3 Ų48.345%0.45324%0.244SC..EExtended strand (participates in β ladder)trans-142.3128.3-176.5-57.5-170.6-63.700110.5Q118 I122M116-Q118 HydrophobicContact CB-CG 4.06Å; M116-I122 WeakPolarHBondContact CA-O 3.45Å
117L95.5Very high94.6Very high2 Ų244.1 Ų44.11%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-9787.5164-53.5178.1000105.7T91 A120 G121 I122 L141 L143T91-L117 HydrophobicContact CG2-CD2 3.98Å; L117-A120 HydrophobicContact CB-CB 3.93Å; L117-A120 PolarHBondContact O-N 2.93Å; L117-A120 VanDerWaalsContact O-N 3.16Å; L117-G121 PolarHBondContact O-N 2.84Å; L117-G121 VanDerWaalsContact O-N 3.14Å; L117-I122 HydrophobicContact CB-CB 4.31Å; L117-I122 HydrophobicContact CD1-CD1 4.4Å; L117-I122 PolarHBondContact N-O 2.88Å; L117-I122 PolarHBondContact O-N 3.07Å; L117-L141 HydrophobicContact CD1-CG 4.25Å; L117-L141 HydrophobicContact CG-CD2 4.19Å; L117-L141 HydrophobicContact CG-CG 4.23Å; L117-L143 HydrophobicContact CD1-CB 3.69Å
118Q89.3Confident94.6Very high138 Ų13844.8 Ų44.865%0.64524%0.243SC*.G310 helixtrans-61.5-51.4-162.5-60.7-173.228.500111.8M116 A120 G121M116-Q118 HydrophobicContact CB-CG 4.06Å; Q118-A120 PolarHBondContact O-N 3.04Å; Q118-A120 VanDerWaalsContact O-N 3.16Å; Q118-G121 PolarHBondContact O-N 3.23Å
119D90.6Very high94.6Very high96 Ų9645.9 Ų45.951%0.51325%0.254SS..G310 helixtrans-65.6-19.4-179.8-42.1-65.4000113P274 Q278D119-P274 CarbonylContact O-C 3.58Å; D119-P274 WeakPolarHBondContact O-CB 3.43Å; D119-Q278 HydrophobicContact CB-CG 4.22Å
120A93.8Very high94.6Very high6 Ų644.6 Ų44.65%0.0525%0.248CC..G310 helixtrans-88.9-17.417600000113.6L117 Q118 I122 L143 C275L117-A120 HydrophobicContact CB-CB 3.93Å; L117-A120 PolarHBondContact O-N 2.93Å; L117-A120 VanDerWaalsContact O-N 3.16Å; Q118-A120 PolarHBondContact O-N 3.04Å; Q118-A120 VanDerWaalsContact O-N 3.16Å; A120-I122 HydrophobicContact CB-CD1 3.76Å; A120-I122 HydrophobicContact CB-CG1 3.97Å; A120-L143 HydrophobicContact CB-CD2 3.72Å; A120-C275 HydrophobicContact CB-CB 3.89Å; A120-C275 PolarHBondContact O-N 3.16Å
121G94.4Very high94.6Very high23 Ų2341.4 Ų41.424%0.23723%0.234CC..THydrogen-bonded Turntrans6939.5-17300000113.4L117 Q118 K182L117-G121 PolarHBondContact O-N 2.84Å; L117-G121 VanDerWaalsContact O-N 3.14Å; Q118-G121 PolarHBondContact O-N 3.23Å; G121-K182 PolarHBondContact O-N 3.5Å
122I97.9Very high94.6Very high4 Ų436.2 Ų36.22%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-125.7133.9-177.2-53.1168.8000109.6M116 L117 A120 L141 L143 P162 V164 L179 T180 F181M116-I122 WeakPolarHBondContact CA-O 3.45Å; L117-I122 HydrophobicContact CB-CB 4.31Å; L117-I122 HydrophobicContact CD1-CD1 4.4Å; L117-I122 PolarHBondContact N-O 2.88Å; L117-I122 PolarHBondContact O-N 3.07Å; A120-I122 HydrophobicContact CB-CD1 3.76Å; A120-I122 HydrophobicContact CB-CG1 3.97Å; I122-L141 HydrophobicContact CG2-CD1 4Å; I122-L141 HydrophobicContact CG2-CD2 4.17Å; I122-L141 HydrophobicContact CG2-CG 4.36Å; I122-L143 HydrophobicContact CD1-CB 3.94Å; I122-L143 HydrophobicContact CD1-CD1 3.97Å; I122-L143 HydrophobicContact CD1-CD2 4.1Å; I122-L143 HydrophobicContact CD1-CG 4.24Å; I122-P162 HydrophobicContact CD1-CG 4.04Å; I122-V164 HydrophobicContact CD1-CG2 3.98Å; I122-V164 HydrophobicContact CG2-CG1 3.77Å; I122-V164 HydrophobicContact CG2-CG2 4.28Å; I122-L179 HydrophobicContact CG2-CD1 4.45Å; I122-T180 WeakPolarHBondContact CA-O 3.46Å; I122-F181 HydrophobicContact CG1-CB 4.05Å; I122-F181 HydrophobicContact CG2-CB 4.27Å
123S97.2Very high94.7Very high33 Ų3341.4 Ų41.423%0.23125%0.249CC..EExtended strand (participates in β ladder)trans-144.3151.6176.8640000113.7L115 T180L115-S123 CarbonylContact O-C 3.53Å; L115-S123 VanDerWaalsContact O-CA 3.27Å; L115-S123 WeakPolarHBondContact O-CA 3.33Å; S123-T180 PolarHBondContact N-O 3.39Å; S123-T180 PolarHBondContact O-N 3.4Å
124L98.1Very high94.6Very high0 Ų044.5 Ų44.50%028%0.281CS..EExtended strand (participates in β ladder)trans-128.6114.7176.9175.662.8000109.2C114 L115 L141 C166 C177 L179 L225 F228C114-L124 WeakPolarHBondContact CA-O 3.35Å; L115-L124 PolarHBondContact N-O 2.82Å; L115-L124 PolarHBondContact O-N 3.47Å; L124-L141 HydrophobicContact CB-CD1 4.12Å; L124-L141 HydrophobicContact CB-CD2 4.01Å; L124-L141 HydrophobicContact CB-CG 4.45Å; L124-C166 HydrophobicContact CD2-CB 4.19Å; L124-C177 HydrophobicContact CD1-CB 4.19Å; L124-L179 HydrophobicContact CD1-CB 4.34Å; L124-L225 HydrophobicContact CD1-CD1 4.1Å; L124-F228 HydrophobicContact CD1-CE1 4.23Å; L124-F228 HydrophobicContact CD1-CZ 4.37Å; L124-F228 HydrophobicContact CD2-CE1 4.33Å; L124-F228 HydrophobicContact CD2-CE2 4.18Å; L124-F228 HydrophobicContact CD2-CZ 3.79Å; L124-F228 HydrophobicContact CG-CZ 4.47Å
125L97.5Very high94.6Very high84 Ų8449.9 Ų49.944%0.4430%0.295SS..EExtended strand (participates in β ladder)trans-101121.5177.5178.564.8000110.4C114 C177 T178C114-L125 HydrophobicContact CB-CD1 4.48Å; L125-C177 CarbonylContact O-C 3.57Å; L125-C177 WeakPolarHBondContact O-CA 3.36Å; L125-C177 WeakPolarHBondContact O-CB 3.26Å; L125-T178 PolarHBondContact N-O 2.74Å; L125-T178 PolarHBondContact O-N 2.65Å
126I96.9Very high94.4Very high1 Ų156 Ų561%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-105.7108.9172.7-62.9157.6000106.6V108 G112 G113 L115 A130 V139 F173 C177 F228V108-I126 HydrophobicContact CB-CD1 4.43Å; V108-I126 HydrophobicContact CG1-CB 4.34Å; V108-I126 HydrophobicContact CG1-CD1 4.32Å; V108-I126 HydrophobicContact CG1-CG2 3.91Å; V108-I126 HydrophobicContact CG2-CD1 4.06Å; G112-I126 CarbonylContact C-O 3.38Å; G112-I126 WeakPolarHBondContact CA-O 3.47Å; G113-I126 PolarHBondContact N-O 3.34Å; G113-I126 PolarHBondContact O-N 3.07Å; L115-I126 HydrophobicContact CD1-CD1 4.16Å; I126-A130 HydrophobicContact CG2-CB 3.7Å; I126-V139 HydrophobicContact CD1-CB 4.1Å; I126-V139 HydrophobicContact CD1-CG1 3.94Å; I126-V139 HydrophobicContact CD1-CG2 3.69Å; I126-F173 HydrophobicContact CG2-CD1 4.34Å; I126-F173 HydrophobicContact CG2-CE1 4.39Å; I126-C177 HydrophobicContact CG1-CB 4.4Å; I126-F228 HydrophobicContact CD1-CZ 4.27Å; I126-F228 HydrophobicContact CG1-CZ 4.3Å
127P94.3Very high94.3Very high31 Ų3155 Ų5520%0.20132%0.318CS..  trans-74158.8-170.127.5-33.9000113.2G129 A130 K175 P176P127-G129 PolarHBondContact O-N 3.21Å; P127-A130 HydrophobicContact CG-CB 4.17Å; P127-A130 WeakPolarHBondContact O-CB 3.42Å; P127-A130 PolarHBondContact O-N 3.44Å; P127-K175 HydrophobicContact CG-CB 3.95Å; P127-P176 WeakPolarHBondContact CG-O 3.28Å
128P94.7Very high94.2Very high87 Ų8761 Ų6157%0.56534%0.34SS*.THydrogen-bonded Turntrans-56.1130.9176.2-23.432.2000112.3R111 K175R111-P128 WeakPolarHBondContact O-CG 3.5Å; P128-K175 WeakPolarHBondContact O-CD 3.46Å; P128-K175 WeakPolarHBondContact O-CE 3.4Å; P128-K175 PolarHBondContact O-NZ 2.9Å
129G94.4Very high94.5Very high26 Ų2654.6 Ų54.627%0.26831%0.311SS..THydrogen-bonded Turntrans75.516.7-174.100000115H110 P127H110-G129 PolarHBondContact O-N 2.71Å; P127-G129 PolarHBondContact O-N 3.21Å
130A94.8Very high94.8Very high2 Ų250 Ų502%0.01729%0.286CS..SBendtrans-73.7-33.2166.200000112.1I126 P127 F173 L174 K175I126-A130 HydrophobicContact CG2-CB 3.7Å; P127-A130 HydrophobicContact CG-CB 4.17Å; P127-A130 WeakPolarHBondContact O-CB 3.42Å; P127-A130 PolarHBondContact O-N 3.44Å; A130-F173 HydrophobicContact CB-CB 4.11Å; A130-F173 HydrophobicContact CB-CD1 4.26Å; A130-L174 WeakPolarHBondContact O-CB 3.47Å; A130-L174 PolarHBondContact O-N 3.44Å; A130-K175 HydrophobicContact CB-CB 4.2Å
131V94.9Very high95Very high6 Ų649.8 Ų49.84%0.03628%0.284CS..SBendtrans-99.4148.1171.5178.30000109.3V108 H110 R135 E137 F173V108-V131 HydrophobicContact CG1-CG2 4.33Å; H110-V131 WeakPolarHBondContact CA-O 3.32Å; V131-R135 HydrophobicContact CG1-CB 4.07Å; V131-E137 HydrophobicContact CG1-CG 3.89Å; V131-E137 HydrophobicContact CG2-CB 4.25Å; V131-E137 HydrophobicContact CG2-CG 3.85Å; V131-F173 HydrophobicContact CG2-CD1 3.89Å; V131-F173 HydrophobicContact CG2-CE1 3.82Å
132T94.1Very high95.2Very high55 Ų5548.8 Ų48.834%0.33727%0.273SS..PPolyproline II helixtrans-69.2145.8176.640.60000112.2G134 R135 L174T132-G134 PolarHBondContact O-N 3.45Å; T132-R135 PolarHBondContact O-N 3.48Å; T132-R135 VanDerWaalsContact O-N 3.11Å; T132-R135 WeakPolarHBondContact OG1-CB 3.25Å; T132-R135 VanDerWaalsContact OG1-CD 3.22Å; T132-R135 WeakPolarHBondContact OG1-CD 3.32Å; T132-R135 VanDerWaalsContact OG1-CG 3.26Å; T132-R135 WeakPolarHBondContact OG1-CG 3.33Å; T132-L174 HydrophobicContact CG2-CD1 3.73Å
133V94.1Very high95.1Very high122 Ų12248.6 Ų48.674%0.73927%0.272SS*.THydrogen-bonded Turntrans-60.2133.3172.3-175.30000109.4H110 R135H110-V133 HydrophobicContact CB-CB 4.47Å; H110-V133 HydrophobicContact CB-CG2 4.01Å; V133-R135 VanDerWaalsContact C-N 3.33Å
134G90.9Very high95Very high79 Ų7947.2 Ų47.281%0.81426%0.263SS*.THydrogen-bonded Turntrans83.7-2.3-175.600000115.3T132T132-G134 PolarHBondContact O-N 3.45Å
135R93Very high94.5Very high156 Ų15648.9 Ų48.959%0.58927%0.269SS*.  trans-107.1158.5167.8-66.8-160.8-171-178.3-0.4112.5V131 T132 V133V131-R135 HydrophobicContact CG1-CB 4.07Å; T132-R135 PolarHBondContact O-N 3.48Å; T132-R135 VanDerWaalsContact O-N 3.11Å; T132-R135 WeakPolarHBondContact OG1-CB 3.25Å; T132-R135 VanDerWaalsContact OG1-CD 3.22Å; T132-R135 WeakPolarHBondContact OG1-CD 3.32Å; T132-R135 VanDerWaalsContact OG1-CG 3.26Å; T132-R135 WeakPolarHBondContact OG1-CG 3.33Å; V133-R135 VanDerWaalsContact C-N 3.33Å
136Q92.4Very high94Very high134 Ų13446.4 Ų46.463%0.62626%0.256SS*.EExtended strand (participates in β ladder)trans-129.2132.7166.4-69176.5-37.900107.5V108 D109V108-Q136 CarbonylContact O-C 3.56Å; V108-Q136 WeakPolarHBondContact O-CA 3.22Å; D109-Q136 HydrophobicContact CB-CG 4.18Å
137E92.3Very high93.3Very high70 Ų7049.7 Ų49.733%0.32727%0.273SS..EExtended strand (participates in β ladder)trans-109.5135.4175-59.7-61.7160.900108.9V108 V131 F173V108-E137 PolarHBondContact N-O 3.44Å; V108-E137 PolarHBondContact O-N 3.21Å; V131-E137 HydrophobicContact CG1-CG 3.89Å; V131-E137 HydrophobicContact CG2-CB 4.25Å; V131-E137 HydrophobicContact CG2-CG 3.85Å; E137-F173 HydrophobicContact CB-CE1 4.32Å; E137-F173 HydrophobicContact CG-CE1 4.34Å
138R93.6Very high92.9Very high127 Ų12751.8 Ų51.848%0.47929%0.289SS..EExtended strand (participates in β ladder)trans-83.3128.5170.6-77.1176.7176.2-174.1-1.5108.6H84 E107 P168H84-R138 WeakPolarHBondContact O-CD 3.26Å; E107-R138 HydrophobicContact CG-CG 3.62Å; E107-R138 IonicContact OE1-CZ 3.47Å; E107-R138 IonicContact OE1-NE 3.66Å; E107-R138 PolarHBondContact OE1-NE 3.14Å; E107-R138 IonicContact OE1-NH2 2.81Å; E107-R138 PolarHBondContact OE1-NH2 2.81Å; R138-P168 WeakPolarHBondContact O-CD 3.47Å
139V95.7Very high92.7Very high5 Ų548 Ų483%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-135.5147.1-175.6-66.10000111A105 R106 V108 L115 I126 G167 F173 F228A105-V139 CarbonylContact C-O 3.56Å; A105-V139 WeakPolarHBondContact CA-O 3.48Å; R106-V139 HydrophobicContact CB-CG2 4.41Å; R106-V139 PolarHBondContact N-O 2.71Å; R106-V139 WeakPolarHBondContact O-CG2 3.26Å; R106-V139 PolarHBondContact O-N 3.45Å; V108-V139 HydrophobicContact CB-CG2 4.24Å; V108-V139 HydrophobicContact CG2-CG2 3.59Å; L115-V139 HydrophobicContact CD1-CG2 3.74Å; L115-V139 HydrophobicContact CD2-CG2 4.31Å; I126-V139 HydrophobicContact CD1-CB 4.1Å; I126-V139 HydrophobicContact CD1-CG1 3.94Å; I126-V139 HydrophobicContact CD1-CG2 3.69Å; V139-G167 CarbonylContact C-O 3.52Å; V139-G167 VanDerWaalsContact CA-O 3.32Å; V139-G167 WeakPolarHBondContact CA-O 3.49Å; V139-F173 HydrophobicContact CG1-CE1 4.41Å; V139-F173 HydrophobicContact CG1-CZ 3.8Å; V139-F228 HydrophobicContact CB-CE2 4.08Å; V139-F228 HydrophobicContact CG1-CE2 3.73Å; V139-F228 HydrophobicContact CG1-CZ 4.41Å
140S96.6Very high92.6Very high0 Ų047.6 Ų47.60%026%0.258CS..EExtended strand (participates in β ladder)trans-138.2149.8178.254.30000112.3S104 C166 G167S104-S140 WeakPolarHBondContact O-CA 3.36Å; S140-C166 WeakPolarHBondContact O-CA 3.1Å; S140-G167 PolarHBondContact N-O 3Å; S140-G167 PolarHBondContact O-N 3.45Å; S140-G167 WeakPolarHBondContact OG-CA 3.44Å
141L97.7Very high92.6Very high0 Ų048.1 Ų48.10%026%0.261CS..EExtended strand (participates in β ladder)trans-123.5120.1177.7175.161.2000107.7F103 S104 L115 L117 I122 L124 V164 L179F103-L141 WeakPolarHBondContact CA-O 3.41Å; F103-L141 WeakPolarHBondContact CB-O 3.35Å; S104-L141 PolarHBondContact N-O 2.86Å; S104-L141 PolarHBondContact O-N 3.09Å; L115-L141 HydrophobicContact CB-CB 4.03Å; L115-L141 HydrophobicContact CB-CD2 4.09Å; L115-L141 HydrophobicContact CD2-CB 4.22Å; L117-L141 HydrophobicContact CD1-CG 4.25Å; L117-L141 HydrophobicContact CG-CD2 4.19Å; L117-L141 HydrophobicContact CG-CG 4.23Å; I122-L141 HydrophobicContact CG2-CD1 4Å; I122-L141 HydrophobicContact CG2-CD2 4.17Å; I122-L141 HydrophobicContact CG2-CG 4.36Å; L124-L141 HydrophobicContact CB-CD1 4.12Å; L124-L141 HydrophobicContact CB-CD2 4.01Å; L124-L141 HydrophobicContact CB-CG 4.45Å; L141-V164 HydrophobicContact CD1-CG1 3.75Å; L141-L179 HydrophobicContact CD1-CD1 4Å
142I97.6Very high92.4Very high2 Ų253.9 Ų53.91%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-124.5130.5-172.1-48.289.9000109.8L83 L101 V102 F103 V144 V164 A165 L200L83-I142 HydrophobicContact CD1-CD1 4.11Å; L83-I142 HydrophobicContact CD1-CG1 3.71Å; L83-I142 HydrophobicContact CD2-CD1 4.48Å; L101-I142 HydrophobicContact CB-CG2 4.38Å; L101-I142 HydrophobicContact CD2-CG2 4.35Å; V102-I142 CarbonylContact O-C 3.58Å; V102-I142 WeakPolarHBondContact O-CA 3.25Å; F103-I142 HydrophobicContact CB-CB 4.26Å; F103-I142 HydrophobicContact CB-CG1 3.89Å; F103-I142 HydrophobicContact CB-CG2 4.25Å; I142-V144 HydrophobicContact CG2-CG2 4.45Å; I142-V164 CarbonylContact O-C 3.59Å; I142-V164 WeakPolarHBondContact O-CA 3.35Å; I142-V164 WeakPolarHBondContact O-CG1 3.32Å; I142-A165 HydrophobicContact CB-CB 4.25Å; I142-A165 HydrophobicContact CD1-CB 4.22Å; I142-A165 WeakPolarHBondContact CD1-O 3.44Å; I142-A165 PolarHBondContact N-O 2.93Å; I142-A165 PolarHBondContact O-N 3.29Å; I142-L200 HydrophobicContact CG1-CD2 4.3Å; I142-L200 HydrophobicContact CG2-CD1 4.44Å; I142-L200 HydrophobicContact CG2-CD2 4.42Å
143L97.1Very high92.3Very high1 Ų153 Ų531%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-95.5127.2163.2162.161.4000108.4V102 L117 A120 I122 W145 P162 C275V102-L143 HydrophobicContact CB-CB 4.18Å; V102-L143 HydrophobicContact CB-CD2 4.26Å; V102-L143 HydrophobicContact CB-CG 4.39Å; V102-L143 PolarHBondContact N-O 3Å; V102-L143 PolarHBondContact O-N 2.73Å; L117-L143 HydrophobicContact CD1-CB 3.69Å; A120-L143 HydrophobicContact CB-CD2 3.72Å; I122-L143 HydrophobicContact CD1-CB 3.94Å; I122-L143 HydrophobicContact CD1-CD1 3.97Å; I122-L143 HydrophobicContact CD1-CD2 4.1Å; I122-L143 HydrophobicContact CD1-CG 4.24Å; L143-W145 HydrophobicContact CD2-CZ2 4.46Å; L143-P162 HydrophobicContact CD1-CB 3.37Å; L143-P162 HydrophobicContact CD1-CG 4.21Å; L143-C275 HydrophobicContact CD2-CB 3.98Å
144V95.1Very high92.1Very high4 Ų449.8 Ų49.82%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-102.6117.7173.6-173.90000107.9L101 I142 D146 D149 V163 L200L101-V144 HydrophobicContact CD2-CB 4.18Å; L101-V144 HydrophobicContact CD2-CG1 3.96Å; L101-V144 HydrophobicContact CD2-CG2 3.88Å; I142-V144 HydrophobicContact CG2-CG2 4.45Å; V144-D146 HydrophobicContact CG1-CB 4.25Å; V144-D149 HydrophobicContact CG1-CB 4.16Å; V144-V163 HydrophobicContact CB-CB 4.15Å; V144-V163 HydrophobicContact CB-CG1 4.02Å; V144-V163 HydrophobicContact CG2-CG1 4.17Å; V144-V163 PolarHBondContact N-O 2.78Å; V144-L200 HydrophobicContact CG2-CD1 3.96Å
145W87.9Confident92Very high35 Ų3554.3 Ų54.313%0.13327%0.27CS..  trans-88.7-15.9174.8-78.7-35.6000113.4L100 V102 L143 L147 C275 Q278 W279 T282L100-W145 HydrophobicContact CB-CE3 4.19Å; L100-W145 HydrophobicContact CD2-CE3 3.56Å; L100-W145 HydrophobicContact CD2-CZ3 3.7Å; L100-W145 HydrophobicContact CG-CE3 3.65Å; L100-W145 HydrophobicContact CG-CZ3 3.99Å; L100-W145 PolarHBondContact O-N 2.77Å; V102-W145 HydrophobicContact CG2-CD2 4.11Å; V102-W145 HydrophobicContact CG2-CE3 3.8Å; V102-W145 HydrophobicContact CG2-CH2 3.72Å; V102-W145 HydrophobicContact CG2-CZ2 4.01Å; V102-W145 HydrophobicContact CG2-CZ3 3.6Å; L143-W145 HydrophobicContact CD2-CZ2 4.46Å; W145-L147 PolarHBondContact O-N 3.29Å; W145-C275 PolarHBondContact NE1-O 2.76Å; W145-Q278 HydrophobicContact CZ2-CB 4.38Å; W145-Q278 HydrophobicContact CZ2-CG 4.22Å; W145-W279 HydrophobicContact CD2-CB 4.39Å; W145-W279 AromaticContact CD2-CD1 3.81Å; W145-W279 AromaticContact CG-CD1 3.88Å; W145-W279 HydrophobicContact CZ2-CB 4.12Å; W145-T282 HydrophobicContact CH2-CG2 4.48Å; W145-T282 HydrophobicContact CZ3-CG2 4.3Å
146D85.1Confident91.8Very high31 Ų3150.1 Ų50.117%0.16627%0.269CS..  trans-71.4122173.6173.429.1000111.7H98 K99 V144 S148H98-D146 IonicContact CD2-OD2 3.41Å; H98-D146 PolarHBondContact CD2-OD2 3.48Å; H98-D146 IonicContact NE2-OD2 2.69Å; K99-D146 HydrophobicContact CB-CB 4.32Å; K99-D146 WeakPolarHBondContact CE-OD2 3.28Å; K99-D146 HydrophobicContact CG-CB 4.07Å; V144-D146 HydrophobicContact CG1-CB 4.25Å; D146-S148 VanDerWaalsContact C-N 3.3Å; D146-S148 PolarHBondContact O-N 2.95Å; D146-S148 WeakPolarHBondContact OD1-CB 3.49Å; D146-S148 PolarHBondContact OD1-N 3.02Å; D146-S148 WeakPolarHBondContact OD2-CB 3.39Å; D146-S148 PolarHBondContact OD2-OG 3.12Å
147L84.1Confident91.9Very high70 Ų7045.9 Ų45.937%0.36625%0.249SC..G310 helixtrans-79.9-6.8179-61.9176.9000113.5W145 D149 A150 L159 K338W145-L147 PolarHBondContact O-N 3.29Å; L147-D149 PolarHBondContact O-N 2.91Å; L147-A150 HydrophobicContact CD2-CB 4.48Å; L147-A150 VanDerWaalsContact O-CB 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.46Å; L147-A150 PolarHBondContact O-N 3.4Å; L147-A150 VanDerWaalsContact O-N 3.14Å; L147-L159 HydrophobicContact CD2-CD2 3.62Å; L147-K338 HydrophobicContact CD1-CB 4.4Å; L147-K338 HydrophobicContact CD1-CG 4.21Å
148S84.4Confident92Very high76 Ų7642.5 Ų42.553%0.53123%0.234SC..G310 helixtrans-64.3-27.7169.6930000112.2D146 A150D146-S148 VanDerWaalsContact C-N 3.3Å; D146-S148 PolarHBondContact O-N 2.95Å; D146-S148 WeakPolarHBondContact OD1-CB 3.49Å; D146-S148 PolarHBondContact OD1-N 3.02Å; D146-S148 WeakPolarHBondContact OD2-CB 3.39Å; D146-S148 PolarHBondContact OD2-OG 3.12Å; S148-A150 VanDerWaalsContact C-N 3.34Å
149D90.2Very high92.1Very high6 Ų636.7 Ų36.73%0.03221%0.212CC..G310 helixtrans-83.4-5174.1-83.2-20.5000113.7K99 V144 L147 K204 W206K99-D149 IonicContact NZ-OD1 2.69Å; K99-D149 PolarHBondContact NZ-OD1 3.14Å; K99-D149 IonicContact NZ-OD2 2.82Å; K99-D149 PolarHBondContact NZ-OD2 3.37Å; V144-D149 HydrophobicContact CG1-CB 4.16Å; L147-D149 PolarHBondContact O-N 2.91Å; D149-K204 HydrophobicContact CB-CG 4.03Å; D149-K204 WeakPolarHBondContact OD1-CG 3.48Å; D149-K204 IonicContact OD1-NZ 3.8Å; D149-K204 PolarHBondContact OD1-NZ 2.87Å; D149-K204 IonicContact OD2-NZ 3.78Å; D149-K204 PolarHBondContact OD2-NZ 2.95Å; D149-W206 VanDerWaalsContact O-CE2 3.28Å; D149-W206 VanDerWaalsContact O-CZ2 3.25Å; D149-W206 WeakPolarHBondContact O-CZ2 3.46Å; D149-W206 PolarHBondContact O-NE1 3.14Å
150A92.9Very high92.2Very high18 Ų1836.4 Ų36.415%0.14921%0.21CC..SBendtrans-76.4162.1176.700000112.2L147 S148 L159 V163L147-A150 HydrophobicContact CD2-CB 4.48Å; L147-A150 VanDerWaalsContact O-CB 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.46Å; L147-A150 PolarHBondContact O-N 3.4Å; L147-A150 VanDerWaalsContact O-N 3.14Å; S148-A150 VanDerWaalsContact C-N 3.34Å; A150-L159 HydrophobicContact CB-CD2 4.29Å; A150-V163 HydrophobicContact CB-CG2 4.01Å
151P93.9Very high92.2Very high14 Ų1436.6 Ų36.69%0.09121%0.211CC..  trans-61.6142.4174.7-19.930.8000111.9L153 W206 T232 V234P151-L153 HydrophobicContact CB-CD2 4.07Å; P151-L153 WeakPolarHBondContact O-CD2 3.32Å; P151-L153 WeakPolarHBondContact O-CG 3.13Å; P151-L153 PolarHBondContact O-N 2.78Å; P151-L153 VanDerWaalsContact O-N 3.1Å; P151-W206 HydrophobicContact CB-CB 4.18Å; P151-W206 HydrophobicContact CB-CG 3.99Å; P151-W206 HydrophobicContact CG-CB 4.23Å; P151-W206 HydrophobicContact CG-CD2 3.78Å; P151-W206 HydrophobicContact CG-CE3 4.36Å; P151-W206 HydrophobicContact CG-CG 3.71Å; P151-T232 HydrophobicContact CG-CG2 3.61Å; P151-V234 HydrophobicContact CB-CG2 4.35Å; P151-V234 HydrophobicContact CG-CG2 3.93Å
152S91.1Very high92Very high127 Ų12737.3 Ų37.389%0.88822%0.216SC*.  trans-64.9109.2170.7-68.60000110.7
153L92Very high92Very high35 Ų3537.3 Ų37.318%0.18322%0.216CC..  trans-95.7137.1-174.8-57-170.3000113.2P151 Q157 L159 V234 H336P151-L153 HydrophobicContact CB-CD2 4.07Å; P151-L153 WeakPolarHBondContact O-CD2 3.32Å; P151-L153 WeakPolarHBondContact O-CG 3.13Å; P151-L153 PolarHBondContact O-N 2.78Å; P151-L153 VanDerWaalsContact O-N 3.1Å; L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 4.15Å; L153-L159 HydrophobicContact CD1-CB 3.89Å; L153-V234 HydrophobicContact CD2-CB 4.44Å; L153-V234 HydrophobicContact CD2-CG1 3.65Å; L153-V234 HydrophobicContact CD2-CG2 3.86Å; L153-H336 WeakPolarHBondContact CB-NE2 3.44Å; L153-H336 HydrophobicContact CD1-CB 4.45Å; L153-H336 PolarHBondContact O-CE1 2.87Å
154S90.9Very high92.1Very high56 Ų5637.3 Ų37.339%0.39222%0.216SC..  trans-71.4175.1164.169.80000112A156 Q157 H336S154-A156 PolarHBondContact O-N 2.77Å; S154-A156 PolarHBondContact OG-N 3.26Å; S154-Q157 VanDerWaalsContact CB-OE1 3.27Å; S154-Q157 PolarHBondContact O-N 2.95Å; S154-Q157 PolarHBondContact OG-N 3.32Å; S154-Q157 PolarHBondContact OG-OE1 3.28Å; S154-H336 PolarHBondContact O-NE2 3.42Å
155R87.8Confident92.2Very high174 Ų17437.3 Ų37.366%0.65722%0.216SC*.SBendtrans-62.3-30.4174.8-171.3171.3-168.6159.76.3112.9L332 W335R155-L332 HydrophobicContact CG-CD2 4.23Å; R155-W335 PolarHBondContact O-NE1 3.05Å
156A89.4Confident92.6Very high68 Ų6835.9 Ų35.956%0.56221%0.212SC*.SBendtrans-83.8-21-178.600000113.6S154S154-A156 PolarHBondContact O-N 2.77Å; S154-A156 PolarHBondContact OG-N 3.26Å
157Q93.6Very high93.1Very high44 Ų4434.7 Ų34.721%0.20621%0.207CC..  trans-92.8131.8179.6-71.4157.9-48.500110.9L153 S154 V234 M235 E236 W335 H336L153-Q157 HydrophobicContact CB-CB 4.22Å; L153-Q157 HydrophobicContact CD2-CB 4.15Å; S154-Q157 VanDerWaalsContact CB-OE1 3.27Å; S154-Q157 PolarHBondContact O-N 2.95Å; S154-Q157 PolarHBondContact OG-N 3.32Å; S154-Q157 PolarHBondContact OG-OE1 3.28Å; Q157-V234 HydrophobicContact CB-CG1 3.84Å; Q157-V234 HydrophobicContact CG-CG1 4.2Å; Q157-M235 WeakPolarHBondContact CA-O 3.22Å; Q157-E236 HydrophobicContact CG-CG 4.36Å; Q157-E236 PolarHBondContact NE2-OE1 3.49Å; Q157-W335 VanDerWaalsContact O-CD1 3.29Å; Q157-W335 PolarHBondContact O-NE1 3.14Å; Q157-H336 PolarHBondContact O-CD2 2.87Å; Q157-H336 PolarHBondContact O-NE2 2.87Å
158G94.4Very high93.6Very high0 Ų033.5 Ų33.50%020%0.204CC..EExtended strand (participates in β ladder)trans-117.1141.5178.900000112M235 W335G158-M235 PolarHBondContact N-O 3.47Å; G158-M235 PolarHBondContact O-N 2.92Å; G158-W335 WeakPolarHBondContact CA-O 3.42Å
159L96.8Very high94Very high4 Ų433.9 Ų33.92%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-79.5123.9174.5-168.864.6000109.1L147 A150 L153 S161 V234 K245 N271 W335 H336L147-L159 HydrophobicContact CD2-CD2 3.62Å; A150-L159 HydrophobicContact CB-CD2 4.29Å; L153-L159 HydrophobicContact CD1-CB 3.89Å; L159-S161 WeakPolarHBondContact CG-O 3.3Å; L159-V234 HydrophobicContact CD1-CG2 4.47Å; L159-K245 PolarHBondContact O-NZ 2.83Å; L159-N271 PolarHBondContact O-ND2 2.67Å; L159-W335 PolarHBondContact N-O 2.84Å; L159-W335 VanDerWaalsContact N-O 3.14Å; L159-H336 WeakPolarHBondContact CB-O 3.42Å
160V96.9Very high94.2Very high0 Ų035.4 Ų35.40%021%0.214CC..  trans-120-7-173.7-68.60000114.6H183 C184 A185 C233 M235 K245V160-H183 CarbonylContact O-C 3.55Å; V160-H183 WeakPolarHBondContact O-CA 3.46Å; V160-H183 WeakPolarHBondContact O-CB 3.38Å; V160-C184 PolarHBondContact O-N 2.56Å; V160-C184 PolarHBondContact O-SG 2.87Å; V160-A185 HydrophobicContact CB-CB 4.21Å; V160-A185 HydrophobicContact CG1-CB 4.02Å; V160-A185 HydrophobicContact CG2-CB 4.25Å; V160-C233 HydrophobicContact CG2-CB 4.21Å; V160-C233 WeakPolarHBondContact CG2-O 3.22Å; V160-C233 PolarHBondContact N-O 3.12Å; V160-M235 HydrophobicContact CG1-CB 3.76Å; V160-M235 HydrophobicContact CG1-CE 3.82Å; V160-M235 HydrophobicContact CG2-CB 4.37Å; V160-K245 HydrophobicContact CG1-CB 4.25Å; V160-K245 HydrophobicContact CG1-CD 4.18Å
161S96.8Very high94.2Very high3 Ų335.9 Ų35.92%0.02122%0.217CC..SBendtrans-137.4167.6173.881.10000110.7L159 F181 T232 C233L159-S161 WeakPolarHBondContact CG-O 3.3Å; S161-F181 VanDerWaalsContact OG-CE2 3.3Å; S161-F181 WeakPolarHBondContact OG-CE2 3.48Å; S161-T232 PolarHBondContact OG-OG1 3.31Å; S161-C233 PolarHBondContact N-O 2.77Å; S161-C233 WeakPolarHBondContact OG-CB 3.42Å; S161-C233 PolarHBondContact OG-N 2.91Å
162P95Very high94.2Very high15 Ų1539.5 Ų39.510%0.09724%0.243CC..  trans-62.4170165.126.4-35.3000112.7I122 L143 V164 T232I122-P162 HydrophobicContact CD1-CG 4.04Å; L143-P162 HydrophobicContact CD1-CB 3.37Å; L143-P162 HydrophobicContact CD1-CG 4.21Å; P162-V164 HydrophobicContact CB-CG2 4.3Å; P162-V164 HydrophobicContact CG-CG2 3.93Å; P162-T232 WeakPolarHBondContact O-CB 3.33Å; P162-T232 PolarHBondContact O-OG1 3.35Å
163V97.3Very high94.3Very high3 Ų335.1 Ų35.12%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-88127.8158.5173.20000108.1V144 A150 W206 L230V144-V163 HydrophobicContact CB-CB 4.15Å; V144-V163 HydrophobicContact CB-CG1 4.02Å; V144-V163 HydrophobicContact CG2-CG1 4.17Å; V144-V163 PolarHBondContact N-O 2.78Å; A150-V163 HydrophobicContact CB-CG2 4.01Å; V163-W206 HydrophobicContact CG1-CH2 4.07Å; V163-W206 HydrophobicContact CG1-CZ2 3.9Å; V163-W206 HydrophobicContact CG2-CZ2 4.14Å; V163-L230 HydrophobicContact CG1-CD2 4.12Å
164V98Very high94.4Very high0 Ų039.5 Ų39.50%023%0.231CC..EExtended strand (participates in β ladder)trans-127.1132-177.1-170.90000109.2I122 L141 I142 P162 L179 F181 L230 Y231I122-V164 HydrophobicContact CD1-CG2 3.98Å; I122-V164 HydrophobicContact CG2-CG1 3.77Å; I122-V164 HydrophobicContact CG2-CG2 4.28Å; L141-V164 HydrophobicContact CD1-CG1 3.75Å; I142-V164 CarbonylContact O-C 3.59Å; I142-V164 WeakPolarHBondContact O-CA 3.35Å; I142-V164 WeakPolarHBondContact O-CG1 3.32Å; P162-V164 HydrophobicContact CB-CG2 4.3Å; P162-V164 HydrophobicContact CG-CG2 3.93Å; V164-L179 HydrophobicContact CG1-CD1 4.04Å; V164-F181 HydrophobicContact CG2-CB 4.31Å; V164-F181 HydrophobicContact CG2-CD1 4.15Å; V164-F181 HydrophobicContact CG2-CG 4.27Å; V164-L230 CarbonylContact O-C 3.54Å; V164-L230 WeakPolarHBondContact O-CA 3.48Å; V164-Y231 PolarHBondContact N-O 2.99Å; V164-Y231 PolarHBondContact O-N 2.93Å
165A97.6Very high94.6Very high4 Ų441.6 Ų41.63%0.03323%0.233CC..EExtended strand (participates in β ladder)trans-114.1143.517400000111.1I142 L200 S229 L230I142-A165 HydrophobicContact CB-CB 4.25Å; I142-A165 HydrophobicContact CD1-CB 4.22Å; I142-A165 WeakPolarHBondContact CD1-O 3.44Å; I142-A165 PolarHBondContact N-O 2.93Å; I142-A165 PolarHBondContact O-N 3.29Å; A165-L200 HydrophobicContact CB-CD1 3.87Å; A165-S229 WeakPolarHBondContact CA-O 3.43Å; A165-L230 HydrophobicContact CB-CD2 4.01Å; A165-L230 HydrophobicContact CB-CG 3.79Å
166C97.4Very high95Very high5 Ų536.9 Ų36.93%0.03423%0.225CC..EExtended strand (participates in β ladder)trans-107.4135.4165.9-55.70000108.3L124 S140 L225 F228 S229L124-C166 HydrophobicContact CD2-CB 4.19Å; S140-C166 WeakPolarHBondContact O-CA 3.1Å; C166-L225 HydrophobicContact CB-CD1 4.32Å; C166-F228 HydrophobicContact CB-CB 3.85Å; C166-F228 HydrophobicContact CB-CD1 3.85Å; C166-F228 HydrophobicContact CB-CD2 3.91Å; C166-F228 HydrophobicContact CB-CE1 4.36Å; C166-F228 HydrophobicContact CB-CE2 4.4Å; C166-F228 HydrophobicContact CB-CG 3.6Å; C166-S229 PolarHBondContact N-O 2.81Å
167G94.6Very high95.4Very high6 Ų633.7 Ų33.76%0.06220%0.199CC..EExtended strand (participates in β ladder)trans-124.2155.8-178.700000112.6V139 S140 F228V139-G167 CarbonylContact C-O 3.52Å; V139-G167 VanDerWaalsContact CA-O 3.32Å; V139-G167 WeakPolarHBondContact CA-O 3.49Å; S140-G167 PolarHBondContact N-O 3Å; S140-G167 PolarHBondContact O-N 3.45Å; S140-G167 WeakPolarHBondContact OG-CA 3.44Å; G167-F228 VanDerWaalsContact O-CD2 3.32Å; G167-F228 WeakPolarHBondContact O-CD2 3.27Å
168P93.9Very high95.6Very high46 Ų4633 Ų3330%0.29920%0.198SC..SBendcis-70.9153.5-4.125.9-31000112.8R138 A171 F228R138-P168 WeakPolarHBondContact O-CD 3.47Å; P168-A171 HydrophobicContact CG-CB 4.09Å; P168-A171 WeakPolarHBondContact O-CB 3.47Å; P168-A171 PolarHBondContact O-N 3.18Å; P168-F228 WeakPolarHBondContact O-CB 3.36Å
169H94.6Very high95.8Very high84 Ų8433 Ų3339%0.38920%0.198SC..THydrogen-bonded Turntrans-62.1138.3-177174.169.1000111.7A171 N197 T198H169-A171 PolarHBondContact O-N 2.79Å; H169-N197 PolarHBondContact CE1-OD1 2.89Å; H169-N197 VanDerWaalsContact CE1-OD1 3.29Å; H169-T198 PolarHBondContact CE1-N 2.77Å; H169-T198 PolarHBondContact CE1-O 3.42Å; H169-T198 VanDerWaalsContact CE1-O 3.28Å; H169-T198 PolarHBondContact ND1-O 2.78Å; H169-T198 VanDerWaalsContact ND1-O 3.09Å
170G92.9Very high95.9Very high38 Ų3833.9 Ų33.939%0.39220%0.203SC..THydrogen-bonded Turntrans77.5-7.3179.600000115.2S172 F228G170-S172 PolarHBondContact O-N 3.35Å; G170-F228 PolarHBondContact N-O 3.29Å
171A92.9Very high95.9Very high27 Ų2733.9 Ų33.922%0.22320%0.203CC..  trans-61129.2-179.500000111.8P168 H169 F173 H227 F228P168-A171 HydrophobicContact CG-CB 4.09Å; P168-A171 WeakPolarHBondContact O-CB 3.47Å; P168-A171 PolarHBondContact O-N 3.18Å; H169-A171 PolarHBondContact O-N 2.79Å; A171-F173 HydrophobicContact CB-CE2 4.31Å; A171-H227 CarbonylContact O-C 3.49Å; A171-H227 WeakPolarHBondContact O-CA 3.37Å; A171-F228 HydrophobicContact CB-CB 4.31Å; A171-F228 HydrophobicContact CB-CD2 4.25Å; A171-F228 HydrophobicContact CB-CG 4.44Å; A171-F228 PolarHBondContact O-N 2.88Å
172S93.6Very high95.9Very high90 Ų9036 Ų3663%0.62921%0.212SC*.  trans-121.7152.3-178.960.90000111.1G170 S226G170-S172 PolarHBondContact O-N 3.35Å; S172-S226 WeakPolarHBondContact CB-O 3.44Å
173F93.3Very high96Very high36 Ų3635.4 Ų35.416%0.15821%0.208CC..  trans-127.6154.8-170.2-66.8-93.6000110.7I126 A130 V131 E137 V139 A171 K175 F228I126-F173 HydrophobicContact CG2-CD1 4.34Å; I126-F173 HydrophobicContact CG2-CE1 4.39Å; A130-F173 HydrophobicContact CB-CB 4.11Å; A130-F173 HydrophobicContact CB-CD1 4.26Å; V131-F173 HydrophobicContact CG2-CD1 3.89Å; V131-F173 HydrophobicContact CG2-CE1 3.82Å; E137-F173 HydrophobicContact CB-CE1 4.32Å; E137-F173 HydrophobicContact CG-CE1 4.34Å; V139-F173 HydrophobicContact CG1-CE1 4.41Å; V139-F173 HydrophobicContact CG1-CZ 3.8Å; A171-F173 HydrophobicContact CB-CE2 4.31Å; F173-K175 WeakPolarHBondContact CB-O 3.46Å; F173-K175 PolarHBondContact O-N 2.86Å; F173-K175 VanDerWaalsContact O-N 3.1Å; F173-F228 HydrophobicContact CD2-CE1 4.05Å; F173-F228 HydrophobicContact CD2-CZ 4.18Å; F173-F228 AromaticContact CE2-CD1 4Å; F173-F228 HydrophobicContact CE2-CD1 4Å; F173-F228 AromaticContact CE2-CD2 3.98Å; F173-F228 HydrophobicContact CE2-CD2 3.98Å; F173-F228 AromaticContact CE2-CE1 3.56Å; F173-F228 HydrophobicContact CE2-CE1 3.56Å; F173-F228 AromaticContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CG 4.2Å; F173-F228 AromaticContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CZ-CD2 4.46Å; F173-F228 HydrophobicContact CZ-CE1 4.42Å; F173-F228 AromaticContact CZ-CE2 3.78Å; F173-F228 HydrophobicContact CZ-CE2 3.78Å; F173-F228 AromaticContact CZ-CZ 3.75Å; F173-F228 HydrophobicContact CZ-CZ 3.75Å
174L94.9Very high96Very high126 Ų12635.4 Ų35.466%0.6621%0.208SC*.SBendtrans-62.7-18179.6-61.6-177.8000113.6A130 T132A130-L174 WeakPolarHBondContact O-CB 3.47Å; A130-L174 PolarHBondContact O-N 3.44Å; T132-L174 HydrophobicContact CG2-CD1 3.73Å
175K94.9Very high96Very high100 Ų10035.4 Ų35.444%0.43521%0.208SC..SBendtrans-136.5142.2175.1-61.6-178.6-173.7179.90108P127 P128 A130 F173 C177P127-K175 HydrophobicContact CG-CB 3.95Å; P128-K175 WeakPolarHBondContact O-CD 3.46Å; P128-K175 WeakPolarHBondContact O-CE 3.4Å; P128-K175 PolarHBondContact O-NZ 2.9Å; A130-K175 HydrophobicContact CB-CB 4.2Å; F173-K175 WeakPolarHBondContact CB-O 3.46Å; F173-K175 PolarHBondContact O-N 2.86Å; F173-K175 VanDerWaalsContact O-N 3.1Å; K175-C177 PolarHBondContact O-N 2.85Å
176P95.6Very high95.8Very high76 Ų7638.4 Ų38.449%0.49422%0.221SC..  trans-61.8137.317926.5-34.4000110.6P127 H224 L225P127-P176 WeakPolarHBondContact CG-O 3.28Å; P176-H224 HydrophobicContact CB-CB 4.38Å; P176-L225 VanDerWaalsContact CA-O 3.25Å; P176-L225 WeakPolarHBondContact CA-O 3.34Å; P176-L225 WeakPolarHBondContact CB-O 3.47Å
177C97.7Very high95.7Very high1 Ų142.6 Ų42.61%0.00724%0.241CC..EExtended strand (participates in β ladder)trans-85.5156.5173.4-60.50000109.7L124 L125 I126 K175 H224 L225 F228L124-C177 HydrophobicContact CD1-CB 4.19Å; L125-C177 CarbonylContact O-C 3.57Å; L125-C177 WeakPolarHBondContact O-CA 3.36Å; L125-C177 WeakPolarHBondContact O-CB 3.26Å; I126-C177 HydrophobicContact CG1-CB 4.4Å; K175-C177 PolarHBondContact O-N 2.85Å; C177-H224 CarbonylContact O-C 3.49Å; C177-H224 WeakPolarHBondContact O-CA 3.29Å; C177-L225 HydrophobicContact CB-CB 4.4Å; C177-L225 PolarHBondContact N-O 3.31Å; C177-L225 PolarHBondContact O-N 3.05Å; C177-F228 HydrophobicContact CB-CE1 4.01Å
178T98.1Very high95.7Very high29 Ų2944.1 Ų44.118%0.17825%0.249CC..EExtended strand (participates in β ladder)trans-110.9112.4177.7-520000109.9L125 I223 H224L125-T178 PolarHBondContact N-O 2.74Å; L125-T178 PolarHBondContact O-N 2.65Å; T178-I223 WeakPolarHBondContact CA-O 3.42Å; T178-H224 PolarHBondContact OG1-CD2 3.11Å
179L98.5Very high95.7Very high0 Ų044.8 Ų44.80%026%0.255CS..EExtended strand (participates in β ladder)trans-89.7130.3169.1173.664000109.3I122 L124 L141 V164 F181 R222 I223 L225 Y231I122-L179 HydrophobicContact CG2-CD1 4.45Å; L124-L179 HydrophobicContact CD1-CB 4.34Å; L141-L179 HydrophobicContact CD1-CD1 4Å; V164-L179 HydrophobicContact CG1-CD1 4.04Å; L179-F181 HydrophobicContact CD1-CD1 4.5Å; L179-F181 HydrophobicContact CD2-CD1 4.12Å; L179-F181 HydrophobicContact CD2-CE1 4.03Å; L179-F181 HydrophobicContact CG-CD1 4.01Å; L179-F181 HydrophobicContact CG-CE1 4.3Å; L179-R222 CarbonylContact O-C 3.52Å; L179-R222 WeakPolarHBondContact O-CA 3.47Å; L179-I223 PolarHBondContact N-O 2.86Å; L179-I223 PolarHBondContact O-N 2.86Å; L179-L225 HydrophobicContact CB-CD1 3.99Å; L179-L225 HydrophobicContact CB-CD2 4.06Å; L179-L225 HydrophobicContact CB-CG 4.05Å; L179-L225 HydrophobicContact CD2-CD2 4.49Å; L179-Y231 HydrophobicContact CD2-CD2 3.47Å; L179-Y231 VanDerWaalsContact CD2-CD2 3.47Å; L179-Y231 HydrophobicContact CD2-CE2 4.32Å; L179-Y231 HydrophobicContact CD2-CG 3.77Å
180T98.3Very high95.7Very high22 Ų2241.4 Ų41.414%0.13524%0.239CC..EExtended strand (participates in β ladder)trans-125134.5175.4-55.90000110.4I122 S123 E220 C221 R222I122-T180 WeakPolarHBondContact CA-O 3.46Å; S123-T180 PolarHBondContact N-O 3.39Å; S123-T180 PolarHBondContact O-N 3.4Å; T180-E220 HydrophobicContact CG2-CB 4.47Å; T180-E220 HydrophobicContact CG2-CG 4.22Å; T180-E220 WeakPolarHBondContact CG2-OE2 3.02Å; T180-C221 VanDerWaalsContact CA-O 3.32Å; T180-C221 WeakPolarHBondContact CA-O 3.38Å; T180-R222 HydrophobicContact CG2-CG 3.91Å
181F98.1Very high95.9Very high0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-148.7152171.654.2-100.1000111.9I122 S161 V164 L179 E220 C221 I223 C233I122-F181 HydrophobicContact CG1-CB 4.05Å; I122-F181 HydrophobicContact CG2-CB 4.27Å; S161-F181 VanDerWaalsContact OG-CE2 3.3Å; S161-F181 WeakPolarHBondContact OG-CE2 3.48Å; V164-F181 HydrophobicContact CG2-CB 4.31Å; V164-F181 HydrophobicContact CG2-CD1 4.15Å; V164-F181 HydrophobicContact CG2-CG 4.27Å; L179-F181 HydrophobicContact CD1-CD1 4.5Å; L179-F181 HydrophobicContact CD2-CD1 4.12Å; L179-F181 HydrophobicContact CD2-CE1 4.03Å; L179-F181 HydrophobicContact CG-CD1 4.01Å; L179-F181 HydrophobicContact CG-CE1 4.3Å; F181-E220 WeakPolarHBondContact O-CA 3.21Å; F181-C221 HydrophobicContact CD2-CB 3.87Å; F181-C221 HydrophobicContact CE1-CB 4.33Å; F181-C221 HydrophobicContact CE2-CB 3.42Å; F181-C221 VanDerWaalsContact CE2-CB 3.42Å; F181-C221 HydrophobicContact CZ-CB 3.68Å; F181-C221 PolarHBondContact N-O 3.39Å; F181-C221 PolarHBondContact O-N 2.84Å; F181-I223 HydrophobicContact CE1-CD1 3.76Å; F181-I223 HydrophobicContact CE1-CG1 4.42Å; F181-I223 HydrophobicContact CZ-CD1 3.98Å; F181-C233 HydrophobicContact CE2-CB 3.98Å; F181-C233 HydrophobicContact CZ-CB 4.44Å
182K97.6Very high96Very high47 Ų4740.7 Ų40.720%0.20422%0.22CC..EExtended strand (participates in β ladder)trans-71.4150177.8-64.8-66-176.5-175.10113.1G121 D219 E220 T273 P274G121-K182 PolarHBondContact O-N 3.5Å; K182-D219 CarbonylContact C-O 3.55Å; K182-D219 VanDerWaalsContact CA-O 3.22Å; K182-D219 WeakPolarHBondContact CA-O 3.07Å; K182-D219 VanDerWaalsContact CD-O 3.28Å; K182-D219 WeakPolarHBondContact CD-O 3.32Å; K182-D219 IonicContact NZ-OD2 2.68Å; K182-D219 PolarHBondContact NZ-OD2 3.4Å; K182-E220 HydrophobicContact CD-CG 3.71Å; K182-E220 IonicContact NZ-OE1 2.67Å; K182-E220 PolarHBondContact NZ-OE1 2.76Å; K182-T273 HydrophobicContact CB-CG2 4.11Å; K182-P274 HydrophobicContact CG-CG 4.2Å
183H96.8Very high96.2Very high4 Ų436.5 Ų36.52%0.01919%0.19CC..  trans-140.6159.6169.267.665.3000113V160 S217 D219 E220 C221V160-H183 CarbonylContact O-C 3.55Å; V160-H183 WeakPolarHBondContact O-CA 3.46Å; V160-H183 WeakPolarHBondContact O-CB 3.38Å; H183-S217 PolarHBondContact CE1-O 2.55Å; H183-S217 PolarHBondContact NE2-O 3.47Å; H183-S217 VanDerWaalsContact NE2-O 3.15Å; H183-D219 PolarHBondContact N-O 3.08Å; H183-E220 PolarHBondContact NE2-N 3.41Å; H183-E220 PolarHBondContact NE2-O 2.87Å; H183-C221 PolarHBondContact CD2-N 3.48Å; H183-C221 PolarHBondContact CD2-SG 2.87Å
184C97.2Very high96.4Very high2 Ų236 Ų361%0.01419%0.188CC..  trans-110.14.5-17669.40000116.3V160 Q186 K245 W246 N271 N272 T273V160-C184 PolarHBondContact O-N 2.56Å; V160-C184 PolarHBondContact O-SG 2.87Å; C184-Q186 PolarHBondContact O-N 2.92Å; C184-K245 CarbonylContact O-C 3.49Å; C184-K245 WeakPolarHBondContact O-CA 3.28Å; C184-K245 WeakPolarHBondContact O-CB 3.35Å; C184-W246 VanDerWaalsContact CB-O 3.23Å; C184-W246 WeakPolarHBondContact CB-O 3.32Å; C184-W246 PolarHBondContact O-N 2.99Å; C184-N271 HydrophobicContact CB-CB 4.45Å; C184-N271 PolarHBondContact SG-OD1 2.82Å; C184-N272 HydrophobicContact CB-CB 3.96Å; C184-T273 HydrophobicContact CB-CG2 4.29Å
185A96.6Very high96.5Very high1 Ų131 Ų311%0.00816%0.163CC..BIsolated β-bridgetrans-54.4131.7175.300000111.4V160 A191 M235V160-A185 HydrophobicContact CB-CB 4.21Å; V160-A185 HydrophobicContact CG1-CB 4.02Å; V160-A185 HydrophobicContact CG2-CB 4.25Å; A185-A191 HydrophobicContact CB-CB 3.91Å; A185-M235 HydrophobicContact CB-SD 4.27Å
186Q95.1Very high96.6Very high66 Ų6626.2 Ų26.231%0.30814%0.142SC..SBendtrans-66.9-40-179.6177.4-17880.400111.8C184 R244 W246 D299C184-Q186 PolarHBondContact O-N 2.92Å; Q186-R244 HydrophobicContact CB-CB 4.01Å; Q186-R244 VanDerWaalsContact CB-O 3.26Å; Q186-R244 WeakPolarHBondContact CB-O 3.28Å; Q186-R244 PolarHBondContact N-O 3.47Å; Q186-W246 HydrophobicContact CG-CZ2 4.02Å; Q186-D299 PolarHBondContact NE2-OD1 3.07Å; Q186-D299 PolarHBondContact NE2-OD2 3.06Å
187Q94.8Very high96.6Very high94 Ų9427.1 Ų27.144%0.43914%0.143SC..SBendtrans-117.1107.3-177.8177.31576.900109.8S189 H190Q187-S189 VanDerWaalsContact CG-OG 3.26Å; Q187-S189 WeakPolarHBondContact CG-OG 3.37Å; Q187-S189 PolarHBondContact NE2-OG 3.15Å; Q187-S189 VanDerWaalsContact NE2-OG 3.07Å; Q187-S189 PolarHBondContact O-N 3.15Å; Q187-S189 VanDerWaalsContact O-N 3.15Å; Q187-H190 VanDerWaalsContact CD-CE1 3.42Å; Q187-H190 PolarHBondContact O-N 3.37Å; Q187-H190 PolarHBondContact OE1-CE1 3.41Å; Q187-H190 VanDerWaalsContact OE1-CE1 3.23Å
188P94.3Very high96.5Very high37 Ų3727.9 Ų27.924%0.2415%0.147CC..G310 helixtrans-58.5-29.5-174.6-29.737.4000114.8H190 A191 G213 A216 S217P188-H190 PolarHBondContact O-N 3.12Å; P188-H190 VanDerWaalsContact O-N 3.12Å; P188-A191 WeakPolarHBondContact O-CB 3.45Å; P188-A191 PolarHBondContact O-N 3.39Å; P188-G213 WeakPolarHBondContact O-CA 3.32Å; P188-A216 HydrophobicContact CB-CB 4.15Å; P188-S217 WeakPolarHBondContact CB-O 3.45Å; P188-S217 WeakPolarHBondContact CG-O 3.04Å
189S94.3Very high96.2Very high61 Ų6127.5 Ų27.543%0.42715%0.147SC..G310 helixtrans-65.6-11.1175.359.10000114.3Q187 P212Q187-S189 VanDerWaalsContact CG-OG 3.26Å; Q187-S189 WeakPolarHBondContact CG-OG 3.37Å; Q187-S189 PolarHBondContact NE2-OG 3.15Å; Q187-S189 VanDerWaalsContact NE2-OG 3.07Å; Q187-S189 PolarHBondContact O-N 3.15Å; Q187-S189 VanDerWaalsContact O-N 3.15Å; S189-P212 VanDerWaalsContact O-CB 3.27Å; S189-P212 WeakPolarHBondContact O-CB 3.18Å
190H94.6Very high95.8Very high13 Ų1328.1 Ų28.16%0.0615%0.15CC..G310 helixtrans-99.4-7171-54.2155.4000112.4Q187 P188 M235 E236 P238Q187-H190 VanDerWaalsContact CD-CE1 3.42Å; Q187-H190 PolarHBondContact O-N 3.37Å; Q187-H190 PolarHBondContact OE1-CE1 3.41Å; Q187-H190 VanDerWaalsContact OE1-CE1 3.23Å; P188-H190 PolarHBondContact O-N 3.12Å; P188-H190 VanDerWaalsContact O-N 3.12Å; H190-M235 HydrophobicContact CB-CG 4.08Å; H190-M235 CarbonylContact O-C 3.58Å; H190-M235 WeakPolarHBondContact O-CA 3.46Å; H190-E236 PolarHBondContact O-N 3.42Å; H190-P238 VanDerWaalsContact CD2-CD 3.41Å; H190-P238 WeakPolarHBondContact CD2-CD 3.4Å
191A95.9Very high95.5Very high2 Ų228.6 Ų28.62%0.01715%0.152CC..EExtended strand (participates in β ladder)trans-85.3119.9178.900000109.9A185 P188 G213 A216A185-A191 HydrophobicContact CB-CB 3.91Å; P188-A191 WeakPolarHBondContact O-CB 3.45Å; P188-A191 PolarHBondContact O-N 3.39Å; A191-G213 PolarHBondContact O-N 2.97Å; A191-A216 HydrophobicContact CB-CB 3.8Å
192R96.6Very high95.1Very high48 Ų4832.8 Ų32.818%0.18117%0.174CC..EExtended strand (participates in β ladder)trans-119123.1-179-168.3179.8-154.2157.18.9111Y194 G210 P212 C233 V234 E236R192-Y194 HydrophobicContact CB-CE2 4.17Å; R192-Y194 HydrophobicContact CG-CE2 4.02Å; R192-Y194 WeakPolarHBondContact O-CD2 3.48Å; R192-G210 PolarHBondContact NE-O 2.82Å; R192-G210 PolarHBondContact NH2-O 3.02Å; R192-G210 VanDerWaalsContact NH2-O 3.17Å; R192-P212 HydrophobicContact CB-CB 4.48Å; R192-P212 HydrophobicContact CB-CG 4.44Å; R192-P212 HydrophobicContact CG-CG 4.42Å; R192-C233 VanDerWaalsContact C-SG 3.55Å; R192-C233 WeakPolarHBondContact O-CA 3.32Å; R192-C233 PolarHBondContact O-SG 2.78Å; R192-V234 PolarHBondContact N-O 3.36Å; R192-V234 PolarHBondContact O-N 2.71Å; R192-E236 HydrophobicContact CB-CG 4.3Å; R192-E236 WeakPolarHBondContact CD-OE2 3.47Å; R192-E236 IonicContact CZ-OE2 3.07Å; R192-E236 IonicContact NE-OE2 3.85Å; R192-E236 IonicContact NH1-OE2 3.87Å; R192-E236 PolarHBondContact NH1-OE2 3.05Å
193T97.4Very high94.7Very high2 Ų234.8 Ų34.81%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-71.6143.9173.341.50000112L209 H215 C221 I223 T232T193-L209 PolarHBondContact O-N 2.9Å; T193-L209 PolarHBondContact OG1-O 3.27Å; T193-H215 HydrophobicContact CG2-CB 3.78Å; T193-H215 PolarHBondContact OG1-ND1 3.02Å; T193-C221 HydrophobicContact CG2-CB 4.37Å; T193-I223 HydrophobicContact CG2-CD1 3.69Å; T193-I223 HydrophobicContact CG2-CG1 4.04Å; T193-T232 CarbonylContact C-O 3.52Å; T193-T232 VanDerWaalsContact CA-O 3.3Å; T193-T232 WeakPolarHBondContact CA-O 3.12Å
194Y97.7Very high94.5Very high26 Ų2636.2 Ų36.210%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-124.9153.9172.5-78.3-107.7000109.7R192 W206 R207 P208 Y231 T232 V234 E236R192-Y194 HydrophobicContact CB-CE2 4.17Å; R192-Y194 HydrophobicContact CG-CE2 4.02Å; R192-Y194 WeakPolarHBondContact O-CD2 3.48Å; Y194-W206 HydrophobicContact CD1-CB 4.33Å; Y194-R207 CarbonylContact C-O 3.58Å; Y194-R207 VanDerWaalsContact CA-O 3.27Å; Y194-R207 WeakPolarHBondContact CA-O 3.34Å; Y194-R207 WeakPolarHBondContact CD1-O 3.38Å; Y194-P208 HydrophobicContact CD1-CB 4.38Å; Y194-P208 HydrophobicContact CE1-CB 3.89Å; Y194-P208 HydrophobicContact CE1-CG 4.45Å; Y194-Y231 WeakPolarHBondContact O-CA 3.38Å; Y194-T232 PolarHBondContact N-O 3.08Å; Y194-T232 PolarHBondContact O-N 3.4Å; Y194-T232 VanDerWaalsContact O-N 3.09Å; Y194-V234 HydrophobicContact CD2-CB 4.09Å; Y194-V234 HydrophobicContact CD2-CG2 3.98Å; Y194-V234 HydrophobicContact CE2-CB 3.96Å; Y194-V234 HydrophobicContact CE2-CG2 4.23Å; Y194-E236 VanDerWaalsContact OH-CD 3.32Å; Y194-E236 PolarHBondContact OH-OE1 3.17Å; Y194-E236 VanDerWaalsContact OH-OE1 3.07Å; Y194-E236 PolarHBondContact OH-OE2 3.1Å
195S97.5Very high94.5Very high20 Ų2040 Ų4014%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-129.1150.1168.461.20000112.1W206 R207 L230S195-W206 CarbonylContact O-C 3.55Å; S195-W206 WeakPolarHBondContact O-CA 3.26Å; S195-R207 PolarHBondContact N-O 2.78Å; S195-R207 PolarHBondContact O-N 3.49Å; S195-L230 CarbonylContact C-O 3.57Å; S195-L230 WeakPolarHBondContact CA-O 3.46Å; S195-L230 WeakPolarHBondContact CB-O 3.3Å
196S97.1Very high94.5Very high0 Ų041.9 Ų41.90%024%0.236CC..EExtended strand (participates in β ladder)trans-124.6109.5172.6178.10000109.2T198 V205 S229 L230S196-T198 VanDerWaalsContact C-N 3.29Å; S196-T198 PolarHBondContact O-N 3.22Å; S196-T198 PolarHBondContact OG-OG1 2.97Å; S196-V205 PolarHBondContact OG-N 2.89Å; S196-S229 PolarHBondContact O-OG 3.23Å; S196-L230 PolarHBondContact N-O 2.89Å; S196-L230 PolarHBondContact O-N 3.27Å
197N95.6Very high94.6Very high95 Ų9547 Ų4751%0.50825%0.252SS..  trans-86.872.9179.8-162.561.4000111.3H169 H227 S229H169-N197 PolarHBondContact CE1-OD1 2.89Å; H169-N197 VanDerWaalsContact CE1-OD1 3.29Å; N197-H227 PolarHBondContact OD1-CD2 3.08Å; N197-H227 VanDerWaalsContact OD1-CD2 3.31Å; N197-H227 PolarHBondContact OD1-NE2 3.32Å; N197-S229 WeakPolarHBondContact CA-OG 3.49Å; N197-S229 PolarHBondContact OD1-OG 2.97Å
198T94.1Very high94.7Very high17 Ų1745.9 Ų45.910%0.10425%0.253CS..SBendtrans-142.1161.3-176.556.10000108.2H169 S196 K204 V205 L230H169-T198 PolarHBondContact CE1-N 2.77Å; H169-T198 PolarHBondContact CE1-O 3.42Å; H169-T198 VanDerWaalsContact CE1-O 3.28Å; H169-T198 PolarHBondContact ND1-O 2.78Å; H169-T198 VanDerWaalsContact ND1-O 3.09Å; S196-T198 VanDerWaalsContact C-N 3.29Å; S196-T198 PolarHBondContact O-N 3.22Å; S196-T198 PolarHBondContact OG-OG1 2.97Å; T198-K204 VanDerWaalsContact OG1-CD 3.25Å; T198-K204 WeakPolarHBondContact OG1-CD 3.22Å; T198-V205 HydrophobicContact CG2-CB 4.16Å; T198-V205 HydrophobicContact CG2-CG2 4.13Å; T198-L230 WeakPolarHBondContact O-CD1 3.35Å
199A91.6Very high94.7Very high20 Ų2046.5 Ų46.517%0.16525%0.254CS..  trans-68.5168.5172.800000111.8L201 D202 K204A199-L201 VanDerWaalsContact C-N 3.27Å; A199-L201 PolarHBondContact O-N 2.87Å; A199-D202 WeakPolarHBondContact CA-OD2 3.42Å; A199-D202 HydrophobicContact CB-CB 4.47Å; A199-D202 WeakPolarHBondContact CB-OD2 3.37Å; A199-D202 PolarHBondContact N-OD2 3.3Å; A199-D202 PolarHBondContact O-N 3.03Å; A199-K204 WeakPolarHBondContact O-CE 3.24Å
200L91.6Very high94.5Very high14 Ų1445.6 Ų45.67%0.07325%0.254CS..SBendtrans-59.5-34.5-177.6179.358.5000113F79 L83 I142 V144 A165 K204 L230F79-L200 HydrophobicContact CE1-CD2 3.99Å; F79-L200 HydrophobicContact CZ-CD2 4.27Å; L83-L200 HydrophobicContact CD2-CD2 3.87Å; I142-L200 HydrophobicContact CG1-CD2 4.3Å; I142-L200 HydrophobicContact CG2-CD1 4.44Å; I142-L200 HydrophobicContact CG2-CD2 4.42Å; V144-L200 HydrophobicContact CG2-CD1 3.96Å; A165-L200 HydrophobicContact CB-CD1 3.87Å; L200-K204 WeakPolarHBondContact O-CE 3.23Å; L200-K204 PolarHBondContact O-NZ 3.19Å; L200-L230 HydrophobicContact CD1-CD2 4.45Å
201L90.3Very high94.4Very high32 Ų3251.2 Ų51.217%0.16828%0.28CS..SBendtrans-99.9-16.8-175.9-55.6-178.1000113.8M76 Y80 L96 A199M76-L201 HydrophobicContact CE-CB 4.24Å; M76-L201 HydrophobicContact CE-CD1 3.65Å; M76-L201 HydrophobicContact CG-CD1 4.36Å; Y80-L201 HydrophobicContact CE2-CD1 3.78Å; Y80-L201 HydrophobicContact CE2-CG 4.37Å; L96-L201 HydrophobicContact CD2-CD1 3.67Å; L96-L201 HydrophobicContact CD2-CD2 3.81Å; L96-L201 HydrophobicContact CD2-CG 4.43Å; A199-L201 VanDerWaalsContact C-N 3.27Å; A199-L201 PolarHBondContact O-N 2.87Å
202D89.9Confident94.2Very high87 Ų8753.5 Ų53.547%0.46530%0.295SS..SBendtrans-64.4163.6179.6-60-14.8000113.2A199 K204A199-D202 WeakPolarHBondContact CA-OD2 3.42Å; A199-D202 HydrophobicContact CB-CB 4.47Å; A199-D202 WeakPolarHBondContact CB-OD2 3.37Å; A199-D202 PolarHBondContact N-OD2 3.3Å; A199-D202 PolarHBondContact O-N 3.03Å; D202-K204 WeakPolarHBondContact O-CD 3.15Å; D202-K204 PolarHBondContact O-N 3.49Å; D202-K204 PolarHBondContact O-NZ 3.21Å
203A89.1Confident94Very high89 Ų8952.3 Ų52.374%0.73630%0.297SS*.PPolyproline II helixtrans-62.5128.3166.700000111.1
204K94.3Very high93.9Very high34 Ų3455.2 Ų55.215%0.14832%0.322CS..PPolyproline II helixtrans-82.3139.1-171.2-53.2-55.3-174.5-66.10112.7D149 T198 A199 L200 D202 L230D149-K204 HydrophobicContact CB-CG 4.03Å; D149-K204 WeakPolarHBondContact OD1-CG 3.48Å; D149-K204 IonicContact OD1-NZ 3.8Å; D149-K204 PolarHBondContact OD1-NZ 2.87Å; D149-K204 IonicContact OD2-NZ 3.78Å; D149-K204 PolarHBondContact OD2-NZ 2.95Å; T198-K204 VanDerWaalsContact OG1-CD 3.25Å; T198-K204 WeakPolarHBondContact OG1-CD 3.22Å; A199-K204 WeakPolarHBondContact O-CE 3.24Å; L200-K204 WeakPolarHBondContact O-CE 3.23Å; L200-K204 PolarHBondContact O-NZ 3.19Å; D202-K204 WeakPolarHBondContact O-CD 3.15Å; D202-K204 PolarHBondContact O-N 3.49Å; D202-K204 PolarHBondContact O-NZ 3.21Å; K204-L230 HydrophobicContact CD-CD1 4.01Å; K204-L230 HydrophobicContact CD-CD2 4.03Å
205V95.8Very high93.8Very high82 Ų8256.2 Ų56.250%0.49733%0.327SS..  trans-12479.7-179.6-1750000109.3S196 T198S196-V205 PolarHBondContact OG-N 2.89Å; T198-V205 HydrophobicContact CG2-CB 4.16Å; T198-V205 HydrophobicContact CG2-CG2 4.13Å
206W97.3Very high93.6Very high41 Ų4156.1 Ų56.116%0.15533%0.328CS..EExtended strand (participates in β ladder)trans-70.3134.9-175.4-68.9103.7000113.5D149 P151 V163 Y194 S195 L230 T232D149-W206 VanDerWaalsContact O-CE2 3.28Å; D149-W206 VanDerWaalsContact O-CZ2 3.25Å; D149-W206 WeakPolarHBondContact O-CZ2 3.46Å; D149-W206 PolarHBondContact O-NE1 3.14Å; P151-W206 HydrophobicContact CB-CB 4.18Å; P151-W206 HydrophobicContact CB-CG 3.99Å; P151-W206 HydrophobicContact CG-CB 4.23Å; P151-W206 HydrophobicContact CG-CD2 3.78Å; P151-W206 HydrophobicContact CG-CE3 4.36Å; P151-W206 HydrophobicContact CG-CG 3.71Å; V163-W206 HydrophobicContact CG1-CH2 4.07Å; V163-W206 HydrophobicContact CG1-CZ2 3.9Å; V163-W206 HydrophobicContact CG2-CZ2 4.14Å; Y194-W206 HydrophobicContact CD1-CB 4.33Å; S195-W206 CarbonylContact O-C 3.55Å; S195-W206 WeakPolarHBondContact O-CA 3.26Å; W206-L230 HydrophobicContact CH2-CB 3.86Å; W206-L230 HydrophobicContact CZ2-CB 4.4Å; W206-L230 HydrophobicContact CZ3-CB 4.41Å; W206-T232 HydrophobicContact CD2-CG2 4.49Å; W206-T232 HydrophobicContact CE3-CG2 4.07Å; W206-T232 HydrophobicContact CH2-CG2 3.71Å; W206-T232 HydrophobicContact CZ2-CG2 4.17Å; W206-T232 HydrophobicContact CZ3-CG2 3.66Å
207R96.7Very high93.4Very high174 Ų17458.7 Ų58.766%0.65735%0.346SS*.EExtended strand (participates in β ladder)trans-131.3145.1175.6-61.8-177-177.9-123.6-0.9110.4Y194 S195 L209Y194-R207 CarbonylContact C-O 3.58Å; Y194-R207 VanDerWaalsContact CA-O 3.27Å; Y194-R207 WeakPolarHBondContact CA-O 3.34Å; Y194-R207 WeakPolarHBondContact CD1-O 3.38Å; S195-R207 PolarHBondContact N-O 2.78Å; S195-R207 PolarHBondContact O-N 3.49Å; R207-L209 PolarHBondContact O-N 3.13Å
208P96.3Very high93.2Very high70 Ų7064.3 Ų64.346%0.45536%0.36SS..EExtended strand (participates in β ladder)trans-67.5127.917927-33.5000110.7Y194Y194-P208 HydrophobicContact CD1-CB 4.38Å; Y194-P208 HydrophobicContact CE1-CB 3.89Å; Y194-P208 HydrophobicContact CE1-CG 4.45Å
209L94.5Very high93.1Very high49 Ų4966.6 Ų66.626%0.25737%0.372SS..  trans-98.390.2178.6-173.568.5000109.2T193 R207 H215 I223 Y231T193-L209 PolarHBondContact O-N 2.9Å; T193-L209 PolarHBondContact OG1-O 3.27Å; R207-L209 PolarHBondContact O-N 3.13Å; L209-H215 PolarHBondContact O-ND1 3.02Å; L209-I223 HydrophobicContact CD2-CD1 4.3Å; L209-I223 HydrophobicContact CD2-CG2 3.47Å; L209-I223 VanDerWaalsContact CD2-CG2 3.47Å; L209-Y231 HydrophobicContact CD2-CD1 4.1Å; L209-Y231 HydrophobicContact CD2-CE1 4.1Å
210G90.6Very high93.3Very high42 Ų4267.3 Ų67.343%0.43337%0.371SS..SBendtrans82.1-159.918000000114.7R192R192-G210 PolarHBondContact NE-O 2.82Å; R192-G210 PolarHBondContact NH2-O 3.02Å; R192-G210 VanDerWaalsContact NH2-O 3.17Å
211Q92.6Very high93.6Very high132 Ų13266.6 Ų66.662%0.61737%0.368SS*.SBendtrans-90.8157178.7-57.4-60.6-0.700111.4G213 A214Q211-G213 PolarHBondContact O-N 2.99Å; Q211-A214 WeakPolarHBondContact O-CB 3.4Å; Q211-A214 PolarHBondContact O-N 3.23Å; Q211-A214 VanDerWaalsContact O-N 3.12Å
212P92.3Very high93.9Very high49 Ų4971.1 Ų71.132%0.31838%0.383SS..THydrogen-bonded Turntrans-52.2138.7169.2-24.535.2000111.4S189 R192 A214S189-P212 VanDerWaalsContact O-CB 3.27Å; S189-P212 WeakPolarHBondContact O-CB 3.18Å; R192-P212 HydrophobicContact CB-CB 4.48Å; R192-P212 HydrophobicContact CB-CG 4.44Å; R192-P212 HydrophobicContact CG-CG 4.42Å; P212-A214 PolarHBondContact O-N 3Å
213G92.4Very high94.3Very high23 Ų2367 Ų6724%0.23736%0.361CS..THydrogen-bonded Turntrans76.9-15.1-175.400000116.3P188 A191 Q211 H215 A216P188-G213 WeakPolarHBondContact O-CA 3.32Å; A191-G213 PolarHBondContact O-N 2.97Å; Q211-G213 PolarHBondContact O-N 2.99Å; G213-H215 PolarHBondContact O-N 3.21Å; G213-A216 PolarHBondContact O-N 3.49Å; G213-A216 VanDerWaalsContact O-N 3.16Å
214A93.7Very high94.7Very high63 Ų6368.7 Ų68.752%0.52135%0.353SS..THydrogen-bonded Turntrans-60.9-24-170.600000115.1Q211 P212Q211-A214 WeakPolarHBondContact O-CB 3.4Å; Q211-A214 PolarHBondContact O-N 3.23Å; Q211-A214 VanDerWaalsContact O-N 3.12Å; P212-A214 PolarHBondContact O-N 3Å
215H95.7Very high94.8Very high47 Ų4767.4 Ų67.422%0.21835%0.348CS..THydrogen-bonded Turntrans-121.71178.8-59114.3000113.2T193 L209 G213 C221 R222 I223T193-H215 HydrophobicContact CG2-CB 3.78Å; T193-H215 PolarHBondContact OG1-ND1 3.02Å; L209-H215 PolarHBondContact O-ND1 3.02Å; G213-H215 PolarHBondContact O-N 3.21Å; H215-C221 CarbonylContact O-C 3.6Å; H215-C221 VanDerWaalsContact O-CA 3.27Å; H215-C221 WeakPolarHBondContact O-CA 3.49Å; H215-R222 PolarHBondContact O-N 2.86Å; H215-I223 HydrophobicContact CB-CG1 4.31Å
216A94.4Very high94.5Very high18 Ų1867.8 Ų67.815%0.14935%0.354CS..BIsolated β-bridgetrans-105.9122.8-168.100000112.4P188 A191 G213P188-A216 HydrophobicContact CB-CB 4.15Å; A191-A216 HydrophobicContact CB-CB 3.8Å; G213-A216 PolarHBondContact O-N 3.49Å; G213-A216 VanDerWaalsContact O-N 3.16Å
217S93.3Very high94.4Very high55 Ų5568.2 Ų68.239%0.38536%0.358SS..  trans-92.1-165.1168.3-169.80000109.9H183 P188 D219 E220H183-S217 PolarHBondContact CE1-O 2.55Å; H183-S217 PolarHBondContact NE2-O 3.47Å; H183-S217 VanDerWaalsContact NE2-O 3.15Å; P188-S217 WeakPolarHBondContact CB-O 3.45Å; P188-S217 WeakPolarHBondContact CG-O 3.04Å; S217-D219 VanDerWaalsContact C-N 3.34Å; S217-D219 PolarHBondContact O-N 2.81Å; S217-E220 WeakPolarHBondContact CB-O 3.32Å; S217-E220 PolarHBondContact N-O 3.42Å
218R90.9Very high94.4Very high212 Ų21260 Ų6080%0.833%0.327SS*.SBendtrans-54.7-46.2178.9-174.2179.1-178.8-177.3-0.1113.1
219D92.1Very high94.4Very high66 Ų6656.7 Ų56.735%0.35331%0.305SS..SBendtrans-141.56.3-172.366.8-50.6000113K182 H183 S217K182-D219 CarbonylContact C-O 3.55Å; K182-D219 VanDerWaalsContact CA-O 3.22Å; K182-D219 WeakPolarHBondContact CA-O 3.07Å; K182-D219 VanDerWaalsContact CD-O 3.28Å; K182-D219 WeakPolarHBondContact CD-O 3.32Å; K182-D219 IonicContact NZ-OD2 2.68Å; K182-D219 PolarHBondContact NZ-OD2 3.4Å; H183-D219 PolarHBondContact N-O 3.08Å; S217-D219 VanDerWaalsContact C-N 3.34Å; S217-D219 PolarHBondContact O-N 2.81Å
220E95.9Very high94.6Very high34 Ų3454.5 Ų54.516%0.15929%0.294CS..EExtended strand (participates in β ladder)trans-134.6131.3-174.9-82.4179.7-154.900112.3T180 F181 K182 H183 S217 R222T180-E220 HydrophobicContact CG2-CB 4.47Å; T180-E220 HydrophobicContact CG2-CG 4.22Å; T180-E220 WeakPolarHBondContact CG2-OE2 3.02Å; F181-E220 WeakPolarHBondContact O-CA 3.21Å; K182-E220 HydrophobicContact CD-CG 3.71Å; K182-E220 IonicContact NZ-OE1 2.67Å; K182-E220 PolarHBondContact NZ-OE1 2.76Å; H183-E220 PolarHBondContact NE2-N 3.41Å; H183-E220 PolarHBondContact NE2-O 2.87Å; S217-E220 WeakPolarHBondContact CB-O 3.32Å; S217-E220 PolarHBondContact N-O 3.42Å; E220-R222 IonicContact OE2-CZ 3.77Å; E220-R222 IonicContact OE2-NE 3.36Å; E220-R222 PolarHBondContact OE2-NE 2.9Å; E220-R222 IonicContact OE2-NH2 3.87Å; E220-R222 PolarHBondContact OE2-NH2 2.91Å
221C97.1Very high94.9Very high0 Ų052.8 Ų52.80%027%0.274CS..EExtended strand (participates in β ladder)trans-92.5131.6162-88.90000109.3T180 F181 H183 T193 H215T180-C221 VanDerWaalsContact CA-O 3.32Å; T180-C221 WeakPolarHBondContact CA-O 3.38Å; F181-C221 HydrophobicContact CD2-CB 3.87Å; F181-C221 HydrophobicContact CE1-CB 4.33Å; F181-C221 HydrophobicContact CE2-CB 3.42Å; F181-C221 VanDerWaalsContact CE2-CB 3.42Å; F181-C221 HydrophobicContact CZ-CB 3.68Å; F181-C221 PolarHBondContact N-O 3.39Å; F181-C221 PolarHBondContact O-N 2.84Å; H183-C221 PolarHBondContact CD2-N 3.48Å; H183-C221 PolarHBondContact CD2-SG 2.87Å; T193-C221 HydrophobicContact CG2-CB 4.37Å; H215-C221 CarbonylContact O-C 3.6Å; H215-C221 VanDerWaalsContact O-CA 3.27Å; H215-C221 WeakPolarHBondContact O-CA 3.49Å
222R97.8Very high95.2Very high127 Ų12746.5 Ų46.548%0.47925%0.245SC..EExtended strand (participates in β ladder)trans-126.4112177.2-61.9-175.3-171.1156.2-1.2109.7L179 T180 H215 E220L179-R222 CarbonylContact O-C 3.52Å; L179-R222 WeakPolarHBondContact O-CA 3.47Å; T180-R222 HydrophobicContact CG2-CG 3.91Å; H215-R222 PolarHBondContact O-N 2.86Å; E220-R222 IonicContact OE2-CZ 3.77Å; E220-R222 IonicContact OE2-NE 3.36Å; E220-R222 PolarHBondContact OE2-NE 2.9Å; E220-R222 IonicContact OE2-NH2 3.87Å; E220-R222 PolarHBondContact OE2-NH2 2.91Å
223I97.8Very high95.4Very high1 Ų144.1 Ų44.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-114.1129.4-172.7-46.9-179.5000109.5T178 L179 F181 T193 L209 H215 L225 Y231T178-I223 WeakPolarHBondContact CA-O 3.42Å; L179-I223 PolarHBondContact N-O 2.86Å; L179-I223 PolarHBondContact O-N 2.86Å; F181-I223 HydrophobicContact CE1-CD1 3.76Å; F181-I223 HydrophobicContact CE1-CG1 4.42Å; F181-I223 HydrophobicContact CZ-CD1 3.98Å; T193-I223 HydrophobicContact CG2-CD1 3.69Å; T193-I223 HydrophobicContact CG2-CG1 4.04Å; L209-I223 HydrophobicContact CD2-CD1 4.3Å; L209-I223 HydrophobicContact CD2-CG2 3.47Å; L209-I223 VanDerWaalsContact CD2-CG2 3.47Å; H215-I223 HydrophobicContact CB-CG1 4.31Å; I223-L225 HydrophobicContact CB-CD2 4.02Å; I223-L225 HydrophobicContact CG2-CD2 3.73Å; I223-Y231 HydrophobicContact CD1-CD1 4Å; I223-Y231 HydrophobicContact CD1-CG 4.23Å
224H96.9Very high95.6Very high124 Ų12443.1 Ų43.157%0.57422%0.219SC*.EExtended strand (participates in β ladder)trans-86.4113.5170.8-67.5100.4000109.7P176 C177 T178P176-H224 HydrophobicContact CB-CB 4.38Å; C177-H224 CarbonylContact O-C 3.49Å; C177-H224 WeakPolarHBondContact O-CA 3.29Å; T178-H224 PolarHBondContact OG1-CD2 3.11Å
225L96.1Very high95.7Very high6 Ų640.1 Ų40.13%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-89.6122.7-173.5-54.5-163000111L124 C166 P176 C177 L179 I223 F228 Y231L124-L225 HydrophobicContact CD1-CD1 4.1Å; C166-L225 HydrophobicContact CB-CD1 4.32Å; P176-L225 VanDerWaalsContact CA-O 3.25Å; P176-L225 WeakPolarHBondContact CA-O 3.34Å; P176-L225 WeakPolarHBondContact CB-O 3.47Å; C177-L225 HydrophobicContact CB-CB 4.4Å; C177-L225 PolarHBondContact N-O 3.31Å; C177-L225 PolarHBondContact O-N 3.05Å; L179-L225 HydrophobicContact CB-CD1 3.99Å; L179-L225 HydrophobicContact CB-CD2 4.06Å; L179-L225 HydrophobicContact CB-CG 4.05Å; L179-L225 HydrophobicContact CD2-CD2 4.49Å; I223-L225 HydrophobicContact CB-CD2 4.02Å; I223-L225 HydrophobicContact CG2-CD2 3.73Å; L225-F228 HydrophobicContact CD1-CD1 3.88Å; L225-F228 HydrophobicContact CD1-CE1 4.07Å; L225-Y231 HydrophobicContact CD1-CE2 3.91Å; L225-Y231 HydrophobicContact CD2-CD1 4.4Å; L225-Y231 HydrophobicContact CD2-CD2 4.29Å; L225-Y231 HydrophobicContact CD2-CE1 3.87Å; L225-Y231 HydrophobicContact CD2-CE2 3.73Å; L225-Y231 HydrophobicContact CG-CE2 4.47Å
226S90.6Very high95.4Very high90 Ų9039.8 Ų39.863%0.62919%0.192SC*.SBendtrans-82.2-25.516757.70000113S172S172-S226 WeakPolarHBondContact CB-O 3.44Å
227H94.6Very high95.1Very high51 Ų5140.4 Ų40.424%0.23620%0.198CC..SBendtrans-151.6164.3177.162.5-71.2000109A171 N197 Y231A171-H227 CarbonylContact O-C 3.49Å; A171-H227 WeakPolarHBondContact O-CA 3.37Å; N197-H227 PolarHBondContact OD1-CD2 3.08Å; N197-H227 VanDerWaalsContact OD1-CD2 3.31Å; N197-H227 PolarHBondContact OD1-NE2 3.32Å; H227-Y231 PolarHBondContact O-OH 2.73Å
228F97Very high94.7Very high1 Ų141.1 Ų41.10%0.00420%0.201CC..  trans-88.7135.3175.9-77.34.6000111.9L124 I126 V139 C166 G167 P168 G170 A171 F173 C177 L225L124-F228 HydrophobicContact CD1-CE1 4.23Å; L124-F228 HydrophobicContact CD1-CZ 4.37Å; L124-F228 HydrophobicContact CD2-CE1 4.33Å; L124-F228 HydrophobicContact CD2-CE2 4.18Å; L124-F228 HydrophobicContact CD2-CZ 3.79Å; L124-F228 HydrophobicContact CG-CZ 4.47Å; I126-F228 HydrophobicContact CD1-CZ 4.27Å; I126-F228 HydrophobicContact CG1-CZ 4.3Å; V139-F228 HydrophobicContact CB-CE2 4.08Å; V139-F228 HydrophobicContact CG1-CE2 3.73Å; V139-F228 HydrophobicContact CG1-CZ 4.41Å; C166-F228 HydrophobicContact CB-CB 3.85Å; C166-F228 HydrophobicContact CB-CD1 3.85Å; C166-F228 HydrophobicContact CB-CD2 3.91Å; C166-F228 HydrophobicContact CB-CE1 4.36Å; C166-F228 HydrophobicContact CB-CE2 4.4Å; C166-F228 HydrophobicContact CB-CG 3.6Å; G167-F228 VanDerWaalsContact O-CD2 3.32Å; G167-F228 WeakPolarHBondContact O-CD2 3.27Å; P168-F228 WeakPolarHBondContact O-CB 3.36Å; G170-F228 PolarHBondContact N-O 3.29Å; A171-F228 HydrophobicContact CB-CB 4.31Å; A171-F228 HydrophobicContact CB-CD2 4.25Å; A171-F228 HydrophobicContact CB-CG 4.44Å; A171-F228 PolarHBondContact O-N 2.88Å; F173-F228 HydrophobicContact CD2-CE1 4.05Å; F173-F228 HydrophobicContact CD2-CZ 4.18Å; F173-F228 AromaticContact CE2-CD1 4Å; F173-F228 HydrophobicContact CE2-CD1 4Å; F173-F228 AromaticContact CE2-CD2 3.98Å; F173-F228 HydrophobicContact CE2-CD2 3.98Å; F173-F228 AromaticContact CE2-CE1 3.56Å; F173-F228 HydrophobicContact CE2-CE1 3.56Å; F173-F228 AromaticContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CE2 3.56Å; F173-F228 HydrophobicContact CE2-CG 4.2Å; F173-F228 AromaticContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CE2-CZ 3.32Å; F173-F228 HydrophobicContact CZ-CD2 4.46Å; F173-F228 HydrophobicContact CZ-CE1 4.42Å; F173-F228 AromaticContact CZ-CE2 3.78Å; F173-F228 HydrophobicContact CZ-CE2 3.78Å; F173-F228 AromaticContact CZ-CZ 3.75Å; F173-F228 HydrophobicContact CZ-CZ 3.75Å; C177-F228 HydrophobicContact CB-CE1 4.01Å; L225-F228 HydrophobicContact CD1-CD1 3.88Å; L225-F228 HydrophobicContact CD1-CE1 4.07Å
229S96.3Very high94.4Very high1 Ų138.6 Ų38.61%0.00721%0.209CC..  trans-165-173-165.6-137.20000110.2A165 C166 S196 N197 Y231A165-S229 WeakPolarHBondContact CA-O 3.43Å; C166-S229 PolarHBondContact N-O 2.81Å; S196-S229 PolarHBondContact O-OG 3.23Å; N197-S229 WeakPolarHBondContact CA-OG 3.49Å; N197-S229 PolarHBondContact OD1-OG 2.97Å; S229-Y231 VanDerWaalsContact CB-OH 3.24Å; S229-Y231 WeakPolarHBondContact CB-OH 3.23Å; S229-Y231 WeakPolarHBondContact O-CD2 3.15Å; S229-Y231 VanDerWaalsContact O-CE2 3.28Å; S229-Y231 WeakPolarHBondContact O-CE2 3.44Å
230L97.8Very high93.9Very high3 Ų339.4 Ų39.42%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-93.7145.5167.7-61.9100.2000111.9V163 V164 A165 S195 S196 T198 L200 K204 W206V163-L230 HydrophobicContact CG1-CD2 4.12Å; V164-L230 CarbonylContact O-C 3.54Å; V164-L230 WeakPolarHBondContact O-CA 3.48Å; A165-L230 HydrophobicContact CB-CD2 4.01Å; A165-L230 HydrophobicContact CB-CG 3.79Å; S195-L230 CarbonylContact C-O 3.57Å; S195-L230 WeakPolarHBondContact CA-O 3.46Å; S195-L230 WeakPolarHBondContact CB-O 3.3Å; S196-L230 PolarHBondContact N-O 2.89Å; S196-L230 PolarHBondContact O-N 3.27Å; T198-L230 WeakPolarHBondContact O-CD1 3.35Å; L200-L230 HydrophobicContact CD1-CD2 4.45Å; K204-L230 HydrophobicContact CD-CD1 4.01Å; K204-L230 HydrophobicContact CD-CD2 4.03Å; W206-L230 HydrophobicContact CH2-CB 3.86Å; W206-L230 HydrophobicContact CZ2-CB 4.4Å; W206-L230 HydrophobicContact CZ3-CB 4.41Å
231Y98.1Very high93.5Very high5 Ų546.6 Ų46.62%0.0226%0.258CS..EExtended strand (participates in β ladder)trans-140.1148.2-176.4-58-79.3000111.8V164 L179 Y194 L209 I223 L225 H227 S229V164-Y231 PolarHBondContact N-O 2.99Å; V164-Y231 PolarHBondContact O-N 2.93Å; L179-Y231 HydrophobicContact CD2-CD2 3.47Å; L179-Y231 VanDerWaalsContact CD2-CD2 3.47Å; L179-Y231 HydrophobicContact CD2-CE2 4.32Å; L179-Y231 HydrophobicContact CD2-CG 3.77Å; Y194-Y231 WeakPolarHBondContact O-CA 3.38Å; L209-Y231 HydrophobicContact CD2-CD1 4.1Å; L209-Y231 HydrophobicContact CD2-CE1 4.1Å; I223-Y231 HydrophobicContact CD1-CD1 4Å; I223-Y231 HydrophobicContact CD1-CG 4.23Å; L225-Y231 HydrophobicContact CD1-CE2 3.91Å; L225-Y231 HydrophobicContact CD2-CD1 4.4Å; L225-Y231 HydrophobicContact CD2-CD2 4.29Å; L225-Y231 HydrophobicContact CD2-CE1 3.87Å; L225-Y231 HydrophobicContact CD2-CE2 3.73Å; L225-Y231 HydrophobicContact CG-CE2 4.47Å; H227-Y231 PolarHBondContact O-OH 2.73Å; S229-Y231 VanDerWaalsContact CB-OH 3.24Å; S229-Y231 WeakPolarHBondContact CB-OH 3.23Å; S229-Y231 WeakPolarHBondContact O-CD2 3.15Å; S229-Y231 VanDerWaalsContact O-CE2 3.28Å; S229-Y231 WeakPolarHBondContact O-CE2 3.44Å
232T97.9Very high93Very high0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-160.2178.6172-166.20000110.2P151 S161 P162 T193 Y194 W206P151-T232 HydrophobicContact CG-CG2 3.61Å; S161-T232 PolarHBondContact OG-OG1 3.31Å; P162-T232 WeakPolarHBondContact O-CB 3.33Å; P162-T232 PolarHBondContact O-OG1 3.35Å; T193-T232 CarbonylContact C-O 3.52Å; T193-T232 VanDerWaalsContact CA-O 3.3Å; T193-T232 WeakPolarHBondContact CA-O 3.12Å; Y194-T232 PolarHBondContact N-O 3.08Å; Y194-T232 PolarHBondContact O-N 3.4Å; Y194-T232 VanDerWaalsContact O-N 3.09Å; W206-T232 HydrophobicContact CD2-CG2 4.49Å; W206-T232 HydrophobicContact CE3-CG2 4.07Å; W206-T232 HydrophobicContact CH2-CG2 3.71Å; W206-T232 HydrophobicContact CZ2-CG2 4.17Å; W206-T232 HydrophobicContact CZ3-CG2 3.66Å
233C97.1Very high92.7Very high0 Ų044.3 Ų44.30%026%0.255CS..EExtended strand (participates in β ladder)trans-134.9128.5177.5-165.90000111.5V160 S161 F181 R192V160-C233 HydrophobicContact CG2-CB 4.21Å; V160-C233 WeakPolarHBondContact CG2-O 3.22Å; V160-C233 PolarHBondContact N-O 3.12Å; S161-C233 PolarHBondContact N-O 2.77Å; S161-C233 WeakPolarHBondContact OG-CB 3.42Å; S161-C233 PolarHBondContact OG-N 2.91Å; F181-C233 HydrophobicContact CE2-CB 3.98Å; F181-C233 HydrophobicContact CZ-CB 4.44Å; R192-C233 VanDerWaalsContact C-SG 3.55Å; R192-C233 WeakPolarHBondContact O-CA 3.32Å; R192-C233 PolarHBondContact O-SG 2.78Å
234V97Very high92.6Very high1 Ų148.4 Ų48.41%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-116.5139-179.21780000108.1P151 L153 Q157 L159 R192 Y194 E236P151-V234 HydrophobicContact CB-CG2 4.35Å; P151-V234 HydrophobicContact CG-CG2 3.93Å; L153-V234 HydrophobicContact CD2-CB 4.44Å; L153-V234 HydrophobicContact CD2-CG1 3.65Å; L153-V234 HydrophobicContact CD2-CG2 3.86Å; Q157-V234 HydrophobicContact CB-CG1 3.84Å; Q157-V234 HydrophobicContact CG-CG1 4.2Å; L159-V234 HydrophobicContact CD1-CG2 4.47Å; R192-V234 PolarHBondContact N-O 3.36Å; R192-V234 PolarHBondContact O-N 2.71Å; Y194-V234 HydrophobicContact CD2-CB 4.09Å; Y194-V234 HydrophobicContact CD2-CG2 3.98Å; Y194-V234 HydrophobicContact CE2-CB 3.96Å; Y194-V234 HydrophobicContact CE2-CG2 4.23Å; V234-E236 HydrophobicContact CG1-CG 4.45Å
235M95.1Very high92.5Very high0 Ų042.5 Ų42.50%024%0.243CC..EExtended strand (participates in β ladder)trans-85.4122.8173.8177.9164.541.800111Q157 G158 V160 A185 H190 A243 R244 K245 W335Q157-M235 WeakPolarHBondContact CA-O 3.22Å; G158-M235 PolarHBondContact N-O 3.47Å; G158-M235 PolarHBondContact O-N 2.92Å; V160-M235 HydrophobicContact CG1-CB 3.76Å; V160-M235 HydrophobicContact CG1-CE 3.82Å; V160-M235 HydrophobicContact CG2-CB 4.37Å; A185-M235 HydrophobicContact CB-SD 4.27Å; H190-M235 HydrophobicContact CB-CG 4.08Å; H190-M235 CarbonylContact O-C 3.58Å; H190-M235 WeakPolarHBondContact O-CA 3.46Å; M235-A243 HydrophobicContact CE-CB 4.33Å; M235-A243 HydrophobicContact CG-CB 4.21Å; M235-A243 HydrophobicContact SD-CB 4.05Å; M235-R244 WeakPolarHBondContact CE-O 3.36Å; M235-K245 HydrophobicContact CE-CB 3.82Å; M235-K245 HydrophobicContact CE-CG 4.25Å; M235-W335 HydrophobicContact CE-CH2 3.2Å; M235-W335 HydrophobicContact CE-CZ2 3.88Å; M235-W335 HydrophobicContact CE-CZ3 3.77Å; M235-W335 HydrophobicContact SD-CH2 4.45Å
236E90.5Very high92.5Very high40 Ų4046.9 Ų46.919%0.18726%0.259CS..  trans-123.299.6174.9-51.5-155.2118.100108.9Q157 H190 R192 Y194 V234Q157-E236 HydrophobicContact CG-CG 4.36Å; Q157-E236 PolarHBondContact NE2-OE1 3.49Å; H190-E236 PolarHBondContact O-N 3.42Å; R192-E236 HydrophobicContact CB-CG 4.3Å; R192-E236 WeakPolarHBondContact CD-OE2 3.47Å; R192-E236 IonicContact CZ-OE2 3.07Å; R192-E236 IonicContact NE-OE2 3.85Å; R192-E236 IonicContact NH1-OE2 3.87Å; R192-E236 PolarHBondContact NH1-OE2 3.05Å; Y194-E236 VanDerWaalsContact OH-CD 3.32Å; Y194-E236 PolarHBondContact OH-OE1 3.17Å; Y194-E236 VanDerWaalsContact OH-OE1 3.07Å; Y194-E236 PolarHBondContact OH-OE2 3.1Å; V234-E236 HydrophobicContact CG1-CG 4.45Å
237A86.7Confident92.8Very high31 Ų3142.7 Ų42.726%0.25623%0.229SC..PPolyproline II helixtrans-78.6141.8171.700000110.8R241 A243A237-R241 HydrophobicContact CB-CB 4.37Å; A237-A243 HydrophobicContact CB-CB 3.72Å
238P86.5Confident92.9Very high71 Ų7140.9 Ų40.946%0.46122%0.221SC..PPolyproline II helixtrans-57.3152.9170-25.134.3000112.5H190 G240 R241H190-P238 VanDerWaalsContact CD2-CD 3.41Å; H190-P238 WeakPolarHBondContact CD2-CD 3.4Å; P238-G240 PolarHBondContact O-N 3.09Å; P238-R241 HydrophobicContact CB-CG 4.25Å; P238-R241 WeakPolarHBondContact O-CB 3.37Å; P238-R241 PolarHBondContact O-N 3.4Å
239V83.9Confident92.8Very high159 Ų15940.9 Ų40.996%0.96422%0.221SC*.THydrogen-bonded Turntrans-54.1128.3177.4-177.10000110.4R241V239-R241 VanDerWaalsContact C-N 3.34Å
240G81.8Confident92.8Very high83 Ų8340.8 Ų40.886%0.85622%0.221SC*.THydrogen-bonded Turntrans814.2-176.700000115.4P238P238-G240 PolarHBondContact O-N 3.09Å
241R87.1Confident92.6Very high184 Ų18441.2 Ų41.269%0.69422%0.223SC*.SBendtrans-105.1144.7168-63.9-62.5-174.2162.3-0.9110.8A237 P238 V239A237-R241 HydrophobicContact CB-CB 4.37Å; P238-R241 HydrophobicContact CB-CG 4.25Å; P238-R241 WeakPolarHBondContact O-CB 3.37Å; P238-R241 PolarHBondContact O-N 3.4Å; V239-R241 VanDerWaalsContact C-N 3.34Å
242E86.9Confident92.2Very high70 Ų7041 Ų4133%0.32722%0.222SC..  trans-79.8126.3175.9-168.6175.4-149.700109.9R244 S301 A303E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-NE 3.2Å; E242-R244 IonicContact OE2-CZ 2.9Å; E242-R244 IonicContact OE2-NE 2.76Å; E242-R244 PolarHBondContact OE2-NE 2.95Å; E242-R244 IonicContact OE2-NH2 3Å; E242-R244 PolarHBondContact OE2-NH2 3.02Å; E242-S301 VanDerWaalsContact CD-OG 3.28Å; E242-S301 WeakPolarHBondContact CG-OG 3.34Å; E242-S301 VanDerWaalsContact OE1-CB 3.28Å; E242-S301 WeakPolarHBondContact OE1-CB 3.21Å; E242-S301 PolarHBondContact OE1-OG 3.49Å; E242-A303 HydrophobicContact CG-CB 4.03Å
243A92.1Very high91.7Very high9 Ų941.1 Ų41.17%0.07422%0.223CC..  trans-82.2131.6169.800000109.1M235 A237 G302 W335M235-A243 HydrophobicContact CE-CB 4.33Å; M235-A243 HydrophobicContact CG-CB 4.21Å; M235-A243 HydrophobicContact SD-CB 4.05Å; A237-A243 HydrophobicContact CB-CB 3.72Å; A243-G302 PolarHBondContact O-N 3.02Å; A243-W335 HydrophobicContact CB-CH2 3.57Å; A243-W335 HydrophobicContact CB-CZ2 3.64Å; A243-W335 WeakPolarHBondContact O-CH2 3.27Å
244R94.4Very high91.1Very high87 Ų8741.2 Ų41.233%0.32822%0.224SC..EExtended strand (participates in β ladder)trans-140.2145.8178.2-57.8-157.9-172.1179.62.2112.7Q186 M235 E242 D299 F300Q186-R244 HydrophobicContact CB-CB 4.01Å; Q186-R244 VanDerWaalsContact CB-O 3.26Å; Q186-R244 WeakPolarHBondContact CB-O 3.28Å; Q186-R244 PolarHBondContact N-O 3.47Å; M235-R244 WeakPolarHBondContact CE-O 3.36Å; E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-NE 3.2Å; E242-R244 IonicContact OE2-CZ 2.9Å; E242-R244 IonicContact OE2-NE 2.76Å; E242-R244 PolarHBondContact OE2-NE 2.95Å; E242-R244 IonicContact OE2-NH2 3Å; E242-R244 PolarHBondContact OE2-NH2 3.02Å; R244-D299 WeakPolarHBondContact CB-OD1 3.33Å; R244-D299 WeakPolarHBondContact CD-OD2 3.27Å; R244-D299 IonicContact CZ-OD2 2.73Å; R244-D299 IonicContact NE-OD2 3.64Å; R244-D299 IonicContact NH1-OD2 3.27Å; R244-D299 PolarHBondContact NH1-OD2 2.79Å; R244-F300 VanDerWaalsContact CA-O 3.29Å; R244-F300 WeakPolarHBondContact CA-O 3.37Å
245K95.3Very high90.1Very high0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-133.8148174.559.1175.2175.8168.40112.2L159 V160 C184 M235 L247 N271 F300 I334 W335L159-K245 PolarHBondContact O-NZ 2.83Å; V160-K245 HydrophobicContact CG1-CB 4.25Å; V160-K245 HydrophobicContact CG1-CD 4.18Å; C184-K245 CarbonylContact O-C 3.49Å; C184-K245 WeakPolarHBondContact O-CA 3.28Å; C184-K245 WeakPolarHBondContact O-CB 3.35Å; M235-K245 HydrophobicContact CE-CB 3.82Å; M235-K245 HydrophobicContact CE-CG 4.25Å; K245-L247 HydrophobicContact CD-CD2 4.06Å; K245-L247 HydrophobicContact CG-CD2 4.16Å; K245-N271 PolarHBondContact NZ-OD1 2.89Å; K245-F300 PolarHBondContact N-O 3.21Å; K245-F300 PolarHBondContact O-N 3.28Å; K245-I334 PolarHBondContact NZ-O 2.87Å; K245-W335 HydrophobicContact CD-CE3 4.35Å; K245-W335 HydrophobicContact CD-CZ3 4.34Å; K245-W335 HydrophobicContact CG-CE3 4.3Å; K245-W335 HydrophobicContact CG-CZ3 3.91Å; K245-W335 PolarHBondContact NZ-O 2.69Å
246W96.3Very high89Confident99 Ų9945.1 Ų45.138%0.37525%0.247SC..EExtended strand (participates in β ladder)trans-71.6129.2168.7-63110.8000109.8C184 Q186 N272 F298 D299C184-W246 VanDerWaalsContact CB-O 3.23Å; C184-W246 WeakPolarHBondContact CB-O 3.32Å; C184-W246 PolarHBondContact O-N 2.99Å; Q186-W246 HydrophobicContact CG-CZ2 4.02Å; W246-N272 HydrophobicContact CB-CB 3.8Å; W246-N272 VanDerWaalsContact O-CB 3.28Å; W246-N272 WeakPolarHBondContact O-CB 3.49Å; W246-N272 PolarHBondContact O-N 2.73Å; W246-N272 VanDerWaalsContact O-N 3.15Å; W246-F298 WeakPolarHBondContact CA-O 3.42Å; W246-D299 HydrophobicContact CE3-CB 4.24Å; W246-D299 HydrophobicContact CH2-CB 4.31Å; W246-D299 HydrophobicContact CZ3-CB 3.8Å
247L96.1Very high87.7Confident1 Ų144.6 Ų44.61%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-114.2163.2170.9-62.3-178.2000109.6K245 L270 L297 F298 F300 I334K245-L247 HydrophobicContact CD-CD2 4.06Å; K245-L247 HydrophobicContact CG-CD2 4.16Å; L247-L270 CarbonylContact C-O 3.54Å; L247-L270 VanDerWaalsContact CA-O 3.26Å; L247-L270 WeakPolarHBondContact CA-O 3.5Å; L247-L270 WeakPolarHBondContact CB-O 3.46Å; L247-L270 WeakPolarHBondContact CD2-O 3.38Å; L247-L297 WeakPolarHBondContact O-CA 3.41Å; L247-F298 HydrophobicContact CB-CD1 3.83Å; L247-F298 HydrophobicContact CB-CE1 3.44Å; L247-F298 VanDerWaalsContact CB-CE1 3.44Å; L247-F298 HydrophobicContact CB-CZ 3.9Å; L247-F298 HydrophobicContact CD1-CE1 4Å; L247-F298 HydrophobicContact CD1-CE2 4.17Å; L247-F298 HydrophobicContact CD1-CZ 3.57Å; L247-F298 HydrophobicContact CG-CE1 4.35Å; L247-F298 HydrophobicContact CG-CZ 4.34Å; L247-F298 PolarHBondContact N-O 2.94Å; L247-F298 PolarHBondContact O-N 2.57Å; L247-F300 HydrophobicContact CD1-CB 3.4Å; L247-F300 VanDerWaalsContact CD1-CB 3.4Å; L247-F300 HydrophobicContact CD1-CD1 4.41Å; L247-F300 HydrophobicContact CD1-CD2 3.63Å; L247-F300 HydrophobicContact CD1-CG 3.57Å; L247-F300 HydrophobicContact CG-CB 3.82Å; L247-F300 HydrophobicContact CG-CG 4.44Å; L247-I334 HydrophobicContact CD1-CG2 3.27Å; L247-I334 HydrophobicContact CD2-CG2 4.28Å; L247-I334 HydrophobicContact CG-CG2 4.43Å
248Q95.9Very high86.5Confident14 Ų1447.4 Ų47.47%0.06527%0.265CS..EExtended strand (participates in β ladder)trans-127.1132.9170.968.1-173-41.500109.1L270 N271 T273 C295 Q296 L297Q248-L270 HydrophobicContact CG-CB 3.7Å; Q248-L270 HydrophobicContact CG-CD1 4.37Å; Q248-L270 PolarHBondContact N-O 2.82Å; Q248-L270 PolarHBondContact O-N 3Å; Q248-N271 PolarHBondContact NE2-O 3.35Å; Q248-T273 PolarHBondContact NE2-O 2.87Å; Q248-C295 HydrophobicContact CB-CB 4.19Å; Q248-Q296 CarbonylContact C-O 3.54Å; Q248-Q296 WeakPolarHBondContact CA-O 3.34Å; Q248-L297 HydrophobicContact CB-CD2 3.7Å
249L96.3Very high85.2Confident0 Ų048.5 Ų48.50%029%0.289CS..EExtended strand (participates in β ladder)trans-93117174.8-63.3163.9000108.1I267 Y268 F269 C295 Q296 F298 T370 E381 L383L249-I267 HydrophobicContact CD2-CG2 4.4Å; L249-Y268 WeakPolarHBondContact CA-O 3.26Å; L249-F269 HydrophobicContact CD2-CD1 3.51Å; L249-F269 HydrophobicContact CD2-CE1 3.4Å; L249-F269 VanDerWaalsContact CD2-CE1 3.4Å; L249-F269 HydrophobicContact CD2-CE2 4.49Å; L249-F269 HydrophobicContact CD2-CG 4.12Å; L249-F269 HydrophobicContact CD2-CZ 3.93Å; L249-C295 CarbonylContact O-C 3.57Å; L249-C295 VanDerWaalsContact O-CA 3.23Å; L249-C295 WeakPolarHBondContact O-CA 3.39Å; L249-Q296 HydrophobicContact CB-CB 4.3Å; L249-Q296 PolarHBondContact N-O 2.88Å; L249-Q296 PolarHBondContact O-N 2.84Å; L249-F298 HydrophobicContact CD1-CD1 3.81Å; L249-F298 HydrophobicContact CD1-CE1 3.92Å; L249-F298 HydrophobicContact CD2-CD1 4.28Å; L249-F298 HydrophobicContact CD2-CE1 3.58Å; L249-F298 HydrophobicContact CD2-CZ 4.25Å; L249-F298 HydrophobicContact CG-CD1 3.72Å; L249-F298 HydrophobicContact CG-CE1 3.53Å; L249-T370 HydrophobicContact CD1-CG2 3.71Å; L249-E381 HydrophobicContact CD1-CB 4.41Å; L249-L383 HydrophobicContact CB-CD2 3.9Å; L249-L383 HydrophobicContact CD1-CD1 4.18Å; L249-L383 HydrophobicContact CD1-CD2 3.93Å; L249-L383 HydrophobicContact CD1-CG 4.14Å
250A95.2Very high84.3Confident0 Ų045.1 Ų45.10%026%0.263CS..EExtended strand (participates in β ladder)trans-109.3122.2176.900000109.4F252 Y268 L270 L277 L291A250-F252 HydrophobicContact CB-CD2 4.39Å; A250-F252 HydrophobicContact CB-CE2 3.79Å; A250-Y268 PolarHBondContact N-O 2.96Å; A250-Y268 PolarHBondContact O-N 3.02Å; A250-L270 HydrophobicContact CB-CD1 3.75Å; A250-L277 HydrophobicContact CB-CD1 4Å; A250-L291 HydrophobicContact CB-CD1 3.88Å
251V93.4Very high83.7Confident12 Ų1243.6 Ų43.67%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-105.5114.8-173.8-173.80000109.3L265 I267 L291 R292 L383 F385V251-L265 HydrophobicContact CG1-CD1 3.49Å; V251-L265 VanDerWaalsContact CG1-CD1 3.49Å; V251-L265 HydrophobicContact CG1-CG 4.27Å; V251-I267 HydrophobicContact CG1-CG1 4.14Å; V251-I267 HydrophobicContact CG2-CG1 4.25Å; V251-L291 CarbonylContact O-C 3.59Å; V251-L291 WeakPolarHBondContact O-CA 3.48Å; V251-R292 PolarHBondContact O-N 3.49Å; V251-L383 HydrophobicContact CG2-CD2 3.92Å; V251-F385 HydrophobicContact CG1-CB 4.19Å; V251-F385 HydrophobicContact CG1-CD1 4.3Å; V251-F385 HydrophobicContact CG1-CG 4.37Å
252F91.1Very high83.4Confident0 Ų037 Ų370%022%0.216CC..EExtended strand (participates in β ladder)trans-109.9150.3177.9-70.2-99.2000111.3A250 L265 R266 Y268 A280 L281 E284 R290 L291A250-F252 HydrophobicContact CB-CD2 4.39Å; A250-F252 HydrophobicContact CB-CE2 3.79Å; F252-L265 CarbonylContact O-C 3.55Å; F252-L265 WeakPolarHBondContact O-CA 3.24Å; F252-R266 HydrophobicContact CB-CB 4.47Å; F252-R266 PolarHBondContact N-O 3.37Å; F252-R266 PolarHBondContact O-N 2.85Å; F252-Y268 AromaticContact CD2-CD2 3.63Å; F252-Y268 HydrophobicContact CD2-CD2 3.63Å; F252-Y268 AromaticContact CD2-CE2 3.81Å; F252-Y268 HydrophobicContact CD2-CE2 3.81Å; F252-Y268 AromaticContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CE2 4.26Å; F252-Y268 HydrophobicContact CG-CE2 4.45Å; F252-A280 HydrophobicContact CE2-CB 4.06Å; F252-A280 HydrophobicContact CZ-CB 4.22Å; F252-L281 HydrophobicContact CE1-CD2 3.91Å; F252-L281 HydrophobicContact CZ-CD2 3.98Å; F252-L281 HydrophobicContact CZ-CG 4.24Å; F252-E284 HydrophobicContact CB-CG 4.12Å; F252-E284 WeakPolarHBondContact CB-OE2 3.34Å; F252-E284 HydrophobicContact CD1-CB 3.69Å; F252-E284 HydrophobicContact CD1-CG 3.45Å; F252-E284 VanDerWaalsContact CD1-CG 3.45Å; F252-E284 HydrophobicContact CD2-CG 4Å; F252-E284 HydrophobicContact CE1-CB 3.76Å; F252-E284 HydrophobicContact CE1-CG 3.71Å; F252-E284 HydrophobicContact CE2-CG 4.22Å; F252-E284 HydrophobicContact CG-CB 4.34Å; F252-E284 HydrophobicContact CG-CG 3.6Å; F252-E284 HydrophobicContact CZ-CB 4.48Å; F252-E284 HydrophobicContact CZ-CG 4.09Å; F252-R290 WeakPolarHBondContact CA-O 3.38Å; F252-L291 HydrophobicContact CD1-CB 4.18Å; F252-L291 HydrophobicContact CD2-CD1 4.22Å; F252-L291 HydrophobicContact CE1-CB 3.87Å; F252-L291 HydrophobicContact CE1-CD1 4.4Å; F252-L291 HydrophobicContact CE2-CD1 3.87Å; F252-L291 HydrophobicContact CZ-CB 4.21Å; F252-L291 HydrophobicContact CZ-CD1 3.97Å
253C87.4Confident83.1Confident2 Ų234.1 Ų34.11%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-140.8137.2175.5-177.80000111Q264 R290 R292C253-Q264 WeakPolarHBondContact CA-O 3.3Å; C253-R290 PolarHBondContact N-O 3.18Å; C253-R290 PolarHBondContact O-N 3.36Å; C253-R290 VanDerWaalsContact O-N 3.08Å; C253-R292 HydrophobicContact CB-CG 3.9Å
254S84.1Confident82.8Confident2 Ų234.1 Ų34.11%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-138.7169.7169.668.30000109.7Q264 R266 H287S254-Q264 PolarHBondContact N-O 3.04Å; S254-Q264 VanDerWaalsContact N-O 3.1Å; S254-Q264 PolarHBondContact O-N 2.89Å; S254-R266 PolarHBondContact OG-NH1 3.43Å; S254-R266 PolarHBondContact OG-NH2 3.37Å; S254-H287 WeakPolarHBondContact CB-O 3.36Å; S254-H287 PolarHBondContact OG-O 2.87Å
255P76Confident82.5Confident45 Ų4530 Ų3029%0.29219%0.186SC..EExtended strand (participates in β ladder)trans-63.8154.8158.3-10.128.7000108.9H262 W393P255-H262 CarbonylContact C-O 3.59Å; P255-H262 WeakPolarHBondContact CA-O 3.37Å; P255-W393 VanDerWaalsContact CD-CH2 3.47Å; P255-W393 HydrophobicContact CG-CD2 4.5Å; P255-W393 HydrophobicContact CG-CE3 4.46Å; P255-W393 HydrophobicContact CG-CH2 3.96Å; P255-W393 HydrophobicContact CG-CZ2 3.92Å; P255-W393 HydrophobicContact CG-CZ3 4.22Å
256L71.6Confident82.3Confident38 Ų3830.1 Ų30.120%0.19919%0.186CC..SBendtrans-74.4-35174.2-176.862.6000112H262 Q264L256-H262 HydrophobicContact CB-CB 3.77Å; L256-H262 HydrophobicContact CD2-CB 4.07Å; L256-H262 PolarHBondContact N-O 3.47Å; L256-Q264 HydrophobicContact CB-CB 4.46Å; L256-Q264 HydrophobicContact CD1-CB 4.11Å; L256-Q264 HydrophobicContact CD1-CG 4.32Å
257A64.3Low82.1Confident30 Ų3025.4 Ų25.425%0.24817%0.169CC..SBendtrans-153.6153.9175.400000110.7G259 Q260A257-G259 PolarHBondContact O-N 3.43Å; A257-Q260 HydrophobicContact CB-CG 4.15Å; A257-Q260 PolarHBondContact O-N 2.92Å
258P61.2Low82.1Confident90 Ų9025.4 Ų25.458%0.58417%0.168SC*.THydrogen-bonded Turntrans-56.3129.2175.3-24.834.9000112.2Q260 P402 P403P258-Q260 VanDerWaalsContact C-N 3.32Å; P258-Q260 PolarHBondContact O-N 2.76Å; P258-P402 HydrophobicContact CG-CB 4.15Å; P258-P403 HydrophobicContact CG-CG 4.48Å
259G58.3Low82.1Confident93 Ų9324.8 Ų24.896%0.95917%0.166SC*.THydrogen-bonded Turntrans79.42.317900000115.9A257A257-G259 PolarHBondContact O-N 3.43Å
260Q65.4Low82.1Confident89 Ų8924.8 Ų24.842%0.41617%0.166SC..  trans-98.6140169.3-62.8-173.79.200111A257 P258 H262A257-Q260 HydrophobicContact CB-CG 4.15Å; A257-Q260 PolarHBondContact O-N 2.92Å; P258-Q260 VanDerWaalsContact C-N 3.32Å; P258-Q260 PolarHBondContact O-N 2.76Å; Q260-H262 HydrophobicContact CB-CB 4.31Å; Q260-H262 PolarHBondContact O-N 3.45Å; Q260-H262 PolarHBondContact OE1-ND1 3.24Å
261S69.1Low82.1Confident50 Ų5025.3 Ų25.335%0.3517%0.168SC..  trans-7910.3169.8550000113.5
262H80.1Confident82.2Confident47 Ų4727.2 Ų27.222%0.21818%0.178CC..  trans-75.3124.8172.6-65.8152.2000110.2P255 L256 Q260 F346 R347P255-H262 CarbonylContact C-O 3.59Å; P255-H262 WeakPolarHBondContact CA-O 3.37Å; L256-H262 HydrophobicContact CB-CB 3.77Å; L256-H262 HydrophobicContact CD2-CB 4.07Å; L256-H262 PolarHBondContact N-O 3.47Å; Q260-H262 HydrophobicContact CB-CB 4.31Å; Q260-H262 PolarHBondContact O-N 3.45Å; Q260-H262 PolarHBondContact OE1-ND1 3.24Å; H262-F346 WeakPolarHBondContact CA-O 3.43Å; H262-R347 WeakPolarHBondContact NE2-CD 3.32Å
263L81.9Confident82.5Confident9 Ų927.4 Ų27.45%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-99.8128.2176-64.1178.2000110.1W318 C345 F346 I364 W393L263-W318 HydrophobicContact CD1-CH2 3.49Å; L263-W318 VanDerWaalsContact CD1-CH2 3.49Å; L263-W318 HydrophobicContact CD1-CZ2 4.18Å; L263-W318 HydrophobicContact CD1-CZ3 3.78Å; L263-W318 HydrophobicContact CG-CH2 3.9Å; L263-W318 HydrophobicContact CG-CZ3 3.95Å; L263-C345 WeakPolarHBondContact O-CA 3.29Å; L263-F346 PolarHBondContact N-O 2.9Å; L263-F346 PolarHBondContact O-N 3.45Å; L263-I364 HydrophobicContact CD1-CB 4.35Å; L263-I364 HydrophobicContact CD1-CG2 3.63Å; L263-W393 HydrophobicContact CD2-CZ2 3.94Å
264Q85.4Confident82.9Confident8 Ų829.7 Ų29.74%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-102.3114.7171.4-169.5-176.315.200109.4C253 S254 L256 R266 S343C253-Q264 WeakPolarHBondContact CA-O 3.3Å; S254-Q264 PolarHBondContact N-O 3.04Å; S254-Q264 VanDerWaalsContact N-O 3.1Å; S254-Q264 PolarHBondContact O-N 2.89Å; L256-Q264 HydrophobicContact CB-CB 4.46Å; L256-Q264 HydrophobicContact CD1-CB 4.11Å; L256-Q264 HydrophobicContact CD1-CG 4.32Å; Q264-R266 HydrophobicContact CG-CG 4.32Å; Q264-S343 WeakPolarHBondContact CG-OG 3.36Å; Q264-S343 PolarHBondContact NE2-OG 2.76Å
265L87.8Confident83.4Confident1 Ų130 Ų301%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-89.9137.6170.5-172.982.3000109.8V251 F252 I267 S343 F344 F346 M368 F385V251-L265 HydrophobicContact CG1-CD1 3.49Å; V251-L265 VanDerWaalsContact CG1-CD1 3.49Å; V251-L265 HydrophobicContact CG1-CG 4.27Å; F252-L265 CarbonylContact O-C 3.55Å; F252-L265 WeakPolarHBondContact O-CA 3.24Å; L265-I267 HydrophobicContact CD2-CD1 3.53Å; L265-I267 HydrophobicContact CD2-CG1 3.88Å; L265-I267 HydrophobicContact CG-CD1 4.39Å; L265-I267 HydrophobicContact CG-CG1 4.21Å; L265-S343 CarbonylContact O-C 3.59Å; L265-S343 WeakPolarHBondContact O-CA 3.29Å; L265-S343 PolarHBondContact O-OG 3.46Å; L265-F344 HydrophobicContact CB-CB 4.45Å; L265-F344 WeakPolarHBondContact CB-O 3.45Å; L265-F344 HydrophobicContact CD2-CB 4.43Å; L265-F344 PolarHBondContact N-O 2.95Å; L265-F344 PolarHBondContact O-N 3.13Å; L265-F346 HydrophobicContact CB-CD2 4.4Å; L265-F346 HydrophobicContact CB-CE2 3.85Å; L265-F346 HydrophobicContact CD2-CE2 4.14Å; L265-M368 HydrophobicContact CD2-SD 3.76Å; L265-F385 HydrophobicContact CB-CZ 4.34Å; L265-F385 HydrophobicContact CD1-CD1 3.67Å; L265-F385 HydrophobicContact CD1-CD2 3.95Å; L265-F385 HydrophobicContact CD1-CE1 3.38Å; L265-F385 HydrophobicContact CD1-CE2 3.69Å; L265-F385 HydrophobicContact CD1-CG 3.94Å; L265-F385 HydrophobicContact CD1-CZ 3.39Å; L265-F385 HydrophobicContact CD2-CD1 3.94Å; L265-F385 HydrophobicContact CD2-CE1 3.16Å; L265-F385 HydrophobicContact CD2-CZ 3.66Å; L265-F385 HydrophobicContact CG-CD1 4.44Å; L265-F385 HydrophobicContact CG-CE1 3.83Å; L265-F385 HydrophobicContact CG-CZ 3.97Å
266R90.8Very high84.3Confident2 Ų228.1 Ų28.11%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-130.4116.8173.5-67.3174.4-62.6-86.4-9.2110.1F252 S254 Q264 Y268 E284 F341 R342F252-R266 HydrophobicContact CB-CB 4.47Å; F252-R266 PolarHBondContact N-O 3.37Å; F252-R266 PolarHBondContact O-N 2.85Å; S254-R266 PolarHBondContact OG-NH1 3.43Å; S254-R266 PolarHBondContact OG-NH2 3.37Å; Q264-R266 HydrophobicContact CG-CG 4.32Å; R266-Y268 HydrophobicContact CB-CE2 4.04Å; R266-E284 WeakPolarHBondContact CD-OE1 3.21Å; R266-E284 IonicContact CZ-OE1 3.17Å; R266-E284 IonicContact CZ-OE2 2.77Å; R266-E284 VanDerWaalsContact CZ-OE2 3.27Å; R266-E284 VanDerWaalsContact NE-CD 3.31Å; R266-E284 IonicContact NE-OE1 2.79Å; R266-E284 PolarHBondContact NE-OE1 3.46Å; R266-E284 IonicContact NE-OE2 2.75Å; R266-E284 PolarHBondContact NE-OE2 3.36Å; R266-E284 IonicContact NH2-OE1 2.7Å; R266-E284 IonicContact NH2-OE2 2.68Å; R266-E284 PolarHBondContact NH2-OE2 2.91Å; R266-F341 HydrophobicContact CB-CD2 3.84Å; R266-F341 HydrophobicContact CB-CE2 4.25Å; R266-F341 HydrophobicContact CG-CD2 3.92Å; R266-F341 HydrophobicContact CG-CE2 3.83Å; R266-R342 CarbonylContact C-O 3.54Å; R266-R342 WeakPolarHBondContact CA-O 3.45Å
267I93.3Very high85.3Confident1 Ų128 Ų281%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-107.1112-177.4-66.4167.2000109.4L249 V251 L265 F269 L309 F341 R342 M368 L383L249-I267 HydrophobicContact CD2-CG2 4.4Å; V251-I267 HydrophobicContact CG1-CG1 4.14Å; V251-I267 HydrophobicContact CG2-CG1 4.25Å; L265-I267 HydrophobicContact CD2-CD1 3.53Å; L265-I267 HydrophobicContact CD2-CG1 3.88Å; L265-I267 HydrophobicContact CG-CD1 4.39Å; L265-I267 HydrophobicContact CG-CG1 4.21Å; I267-F269 HydrophobicContact CG2-CE2 4.04Å; I267-F269 HydrophobicContact CG2-CZ 4.34Å; I267-L309 HydrophobicContact CB-CD2 3.91Å; I267-L309 HydrophobicContact CD1-CD1 4.19Å; I267-L309 HydrophobicContact CD1-CD2 3.72Å; I267-L309 HydrophobicContact CD1-CG 4.49Å; I267-L309 HydrophobicContact CG1-CD2 4.4Å; I267-L309 HydrophobicContact CG2-CD2 3.99Å; I267-F341 CarbonylContact O-C 3.48Å; I267-F341 WeakPolarHBondContact O-CA 3.46Å; I267-F341 WeakPolarHBondContact O-CB 3.48Å; I267-R342 PolarHBondContact N-O 2.85Å; I267-R342 PolarHBondContact O-N 3.13Å; I267-M368 HydrophobicContact CD1-SD 3.43Å; I267-M368 WeakPolarHBondContact CD1-SD 3.19Å; I267-L383 HydrophobicContact CD1-CD1 4Å; I267-L383 HydrophobicContact CG2-CD1 3.95Å
268Y95.4Very high86.7Confident0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-92.5140-178.3-73.3-105.1000112.4L249 A250 F252 R266 L270 W279 A280 N283 E284 F341L249-Y268 WeakPolarHBondContact CA-O 3.26Å; A250-Y268 PolarHBondContact N-O 2.96Å; A250-Y268 PolarHBondContact O-N 3.02Å; F252-Y268 AromaticContact CD2-CD2 3.63Å; F252-Y268 HydrophobicContact CD2-CD2 3.63Å; F252-Y268 AromaticContact CD2-CE2 3.81Å; F252-Y268 HydrophobicContact CD2-CE2 3.81Å; F252-Y268 AromaticContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CD2 3.98Å; F252-Y268 HydrophobicContact CE2-CE2 4.26Å; F252-Y268 HydrophobicContact CG-CE2 4.45Å; R266-Y268 HydrophobicContact CB-CE2 4.04Å; Y268-L270 HydrophobicContact CD1-CD2 4.1Å; Y268-L270 HydrophobicContact CG-CD2 4.37Å; Y268-W279 AromaticContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CE1-CH2 4.36Å; Y268-W279 AromaticContact CE1-CZ3 3.79Å; Y268-W279 HydrophobicContact CE1-CZ3 3.79Å; Y268-A280 HydrophobicContact CD1-CB 3.93Å; Y268-A280 HydrophobicContact CE1-CB 4.19Å; Y268-A280 HydrophobicContact CG-CB 4.18Å; Y268-N283 PolarHBondContact OH-ND2 3.39Å; Y268-E284 HydrophobicContact CE2-CG 3.82Å; Y268-E284 WeakPolarHBondContact CE2-OE1 3.33Å; Y268-E284 VanDerWaalsContact CZ-OE1 3.32Å; Y268-E284 PolarHBondContact OH-OE1 3.34Å; Y268-F341 HydrophobicContact CD1-CB 3.7Å; Y268-F341 HydrophobicContact CD1-CD1 4.36Å; Y268-F341 HydrophobicContact CD1-CG 4.35Å; Y268-F341 HydrophobicContact CD2-CB 3.77Å; Y268-F341 HydrophobicContact CD2-CG 4.44Å; Y268-F341 HydrophobicContact CE1-CB 3.87Å; Y268-F341 AromaticContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CG 4.01Å; Y268-F341 HydrophobicContact CE2-CB 3.94Å; Y268-F341 HydrophobicContact CE2-CG 4.11Å; Y268-F341 HydrophobicContact CG-CB 3.64Å; Y268-F341 AromaticContact CZ-CD1 3.86Å; Y268-F341 AromaticContact CZ-CG 3.88Å
269F95.3Very high88.1Confident2 Ų228.2 Ų28.21%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-105.585.8176.7-68.1-98.4000109.4L249 I267 F298 Q307 L309 V329 I334 P340L249-F269 HydrophobicContact CD2-CD1 3.51Å; L249-F269 HydrophobicContact CD2-CE1 3.4Å; L249-F269 VanDerWaalsContact CD2-CE1 3.4Å; L249-F269 HydrophobicContact CD2-CE2 4.49Å; L249-F269 HydrophobicContact CD2-CG 4.12Å; L249-F269 HydrophobicContact CD2-CZ 3.93Å; I267-F269 HydrophobicContact CG2-CE2 4.04Å; I267-F269 HydrophobicContact CG2-CZ 4.34Å; F269-F298 HydrophobicContact CD1-CE1 4.45Å; F269-F298 HydrophobicContact CD1-CZ 4.1Å; F269-F298 HydrophobicContact CE1-CZ 4.41Å; F269-Q307 HydrophobicContact CE1-CG 3.85Å; F269-L309 HydrophobicContact CE2-CD2 4.22Å; F269-L309 HydrophobicContact CZ-CB 4.27Å; F269-L309 HydrophobicContact CZ-CD2 4.2Å; F269-V329 HydrophobicContact CD2-CG1 4.37Å; F269-V329 HydrophobicContact CD2-CG2 4.1Å; F269-V329 HydrophobicContact CE2-CG2 3.73Å; F269-V329 HydrophobicContact CZ-CG2 4.02Å; F269-I334 HydrophobicContact CB-CD1 4.09Å; F269-I334 HydrophobicContact CB-CG1 3.95Å; F269-I334 HydrophobicContact CD1-CD1 3.89Å; F269-I334 HydrophobicContact CG-CD1 4.08Å; F269-I334 HydrophobicContact CG-CG1 4.45Å; F269-P340 HydrophobicContact CB-CG 4.34Å; F269-P340 PolarHBondContact N-O 2.93Å
270L96.3Very high89.7Confident0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-99148-169.1-54.1178.5000111.7L247 Q248 A250 Y268 A276 L277 A280 C339L247-L270 CarbonylContact C-O 3.54Å; L247-L270 VanDerWaalsContact CA-O 3.26Å; L247-L270 WeakPolarHBondContact CA-O 3.5Å; L247-L270 WeakPolarHBondContact CB-O 3.46Å; L247-L270 WeakPolarHBondContact CD2-O 3.38Å; Q248-L270 HydrophobicContact CG-CB 3.7Å; Q248-L270 HydrophobicContact CG-CD1 4.37Å; Q248-L270 PolarHBondContact N-O 2.82Å; Q248-L270 PolarHBondContact O-N 3Å; A250-L270 HydrophobicContact CB-CD1 3.75Å; Y268-L270 HydrophobicContact CD1-CD2 4.1Å; Y268-L270 HydrophobicContact CG-CD2 4.37Å; L270-A276 HydrophobicContact CB-CB 4.25Å; L270-L277 HydrophobicContact CD1-CB 4.42Å; L270-L277 HydrophobicContact CD1-CD1 4.14Å; L270-A280 HydrophobicContact CD1-CB 3.8Å; L270-A280 HydrophobicContact CD2-CB 4.08Å; L270-C339 HydrophobicContact CD2-CB 3.49Å; L270-C339 VanDerWaalsContact CD2-CB 3.49Å
271N96.1Very high90.9Very high10 Ų1022.6 Ų22.65%0.05312%0.12CC..EExtended strand (participates in β ladder)trans-56.4140.3161-86.3-8.6000109.2L159 C184 K245 Q248 T273 A276L159-N271 PolarHBondContact O-ND2 2.67Å; C184-N271 HydrophobicContact CB-CB 4.45Å; C184-N271 PolarHBondContact SG-OD1 2.82Å; K245-N271 PolarHBondContact NZ-OD1 2.89Å; Q248-N271 PolarHBondContact NE2-O 3.35Å; N271-T273 PolarHBondContact O-N 2.83Å; N271-A276 HydrophobicContact CB-CB 4.31Å
272N96.4Very high91.8Very high52 Ų5222.7 Ų22.728%0.27812%0.118SC..SBendtrans-73.171.7172.7-173.615.4000111C184 W246 L297C184-N272 HydrophobicContact CB-CB 3.96Å; W246-N272 HydrophobicContact CB-CB 3.8Å; W246-N272 VanDerWaalsContact O-CB 3.28Å; W246-N272 WeakPolarHBondContact O-CB 3.49Å; W246-N272 PolarHBondContact O-N 2.73Å; W246-N272 VanDerWaalsContact O-N 3.15Å; N272-L297 HydrophobicContact CB-CD2 4.43Å
273T96Very high92Very high4 Ų421.9 Ų21.93%0.02512%0.116CC..SBendtrans-144.8141.1176.652.70000109.1K182 C184 Q248 N271 C275 A276K182-T273 HydrophobicContact CB-CG2 4.11Å; C184-T273 HydrophobicContact CB-CG2 4.29Å; Q248-T273 PolarHBondContact NE2-O 2.87Å; N271-T273 PolarHBondContact O-N 2.83Å; T273-C275 VanDerWaalsContact C-N 3.3Å; T273-C275 PolarHBondContact O-N 2.99Å; T273-C275 PolarHBondContact OG1-SG 3.22Å; T273-C275 VanDerWaalsContact OG1-SG 3.41Å; T273-A276 PolarHBondContact O-N 2.89Å; T273-A276 VanDerWaalsContact O-N 3.08Å
274P95.4Very high92.2Very high51 Ų5121.5 Ų21.533%0.33111%0.114SC..Hα-helixtrans-58.9-39.7-175.8-25.335000113.1D119 K182 A276 L277 Q278D119-P274 CarbonylContact O-C 3.58Å; D119-P274 WeakPolarHBondContact O-CB 3.43Å; K182-P274 HydrophobicContact CG-CG 4.2Å; P274-A276 PolarHBondContact O-N 3.06Å; P274-A276 VanDerWaalsContact O-N 3.11Å; P274-L277 PolarHBondContact O-N 3.27Å; P274-L277 VanDerWaalsContact O-N 3.11Å; P274-Q278 PolarHBondContact O-N 3Å
275C94.5Very high92.1Very high7 Ų727.8 Ų27.85%0.04714%0.143CC..Hα-helixtrans-58.2-24177.266.40000115.2A120 L143 W145 T273 W279A120-C275 HydrophobicContact CB-CB 3.89Å; A120-C275 PolarHBondContact O-N 3.16Å; L143-C275 HydrophobicContact CD2-CB 3.98Å; W145-C275 PolarHBondContact NE1-O 2.76Å; T273-C275 VanDerWaalsContact C-N 3.3Å; T273-C275 PolarHBondContact O-N 2.99Å; T273-C275 PolarHBondContact OG1-SG 3.22Å; T273-C275 VanDerWaalsContact OG1-SG 3.41Å; C275-W279 WeakPolarHBondContact O-CB 3.36Å; C275-W279 PolarHBondContact O-N 2.77Å; C275-W279 VanDerWaalsContact O-N 3.16Å
276A94.9Very high91.6Very high6 Ų631.2 Ų31.25%0.0517%0.165CC..Hα-helixtrans-83.7-36.1177.600000111.7L270 N271 T273 P274 W279 A280L270-A276 HydrophobicContact CB-CB 4.25Å; N271-A276 HydrophobicContact CB-CB 4.31Å; T273-A276 PolarHBondContact O-N 2.89Å; T273-A276 VanDerWaalsContact O-N 3.08Å; P274-A276 PolarHBondContact O-N 3.06Å; P274-A276 VanDerWaalsContact O-N 3.11Å; A276-W279 PolarHBondContact O-N 3.02Å; A276-A280 PolarHBondContact O-N 3.5Å; A276-A280 VanDerWaalsContact O-N 3.1Å
277L94.6Very high90.7Very high37 Ų3732 Ų3219%0.19417%0.169CC..Hα-helixtrans-67.4-41.2170-178.358.4000111A250 L270 P274 W279 A280 L281A250-L277 HydrophobicContact CB-CD1 4Å; L270-L277 HydrophobicContact CD1-CB 4.42Å; L270-L277 HydrophobicContact CD1-CD1 4.14Å; P274-L277 PolarHBondContact O-N 3.27Å; P274-L277 VanDerWaalsContact O-N 3.11Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-W279 PolarHBondContact O-N 2.64Å; L277-A280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CD1-CD1 4.49Å; L277-L281 HydrophobicContact CD1-CG 4.46Å; L277-L281 HydrophobicContact CG-CD1 4.06Å; L277-L281 WeakPolarHBondContact O-CB 3.42Å; L277-L281 WeakPolarHBondContact O-CG 3.43Å; L277-L281 PolarHBondContact O-N 3.37Å
278Q92.7Very high90Very high64 Ų6433.9 Ų33.930%0.29919%0.189SC..Hα-helixtrans-63.4-36.2175.1-168.164.55.400112.5D119 W145 P274 T282D119-Q278 HydrophobicContact CB-CG 4.22Å; W145-Q278 HydrophobicContact CZ2-CB 4.38Å; W145-Q278 HydrophobicContact CZ2-CG 4.22Å; P274-Q278 PolarHBondContact O-N 3Å; Q278-T282 WeakPolarHBondContact O-CB 3.38Å; Q278-T282 PolarHBondContact O-N 2.88Å; Q278-T282 PolarHBondContact O-OG1 3.29Å
279W90.8Very high89.4Confident60 Ų6034.6 Ų34.623%0.22720%0.196CC..Hα-helixtrans-61.7-49.1170.9178.385.2000111.5W145 Y268 C275 A276 L277 L281 T282 N283 C339W145-W279 HydrophobicContact CD2-CB 4.39Å; W145-W279 AromaticContact CD2-CD1 3.81Å; W145-W279 AromaticContact CG-CD1 3.88Å; W145-W279 HydrophobicContact CZ2-CB 4.12Å; Y268-W279 AromaticContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CD1-CZ3 3.99Å; Y268-W279 HydrophobicContact CE1-CH2 4.36Å; Y268-W279 AromaticContact CE1-CZ3 3.79Å; Y268-W279 HydrophobicContact CE1-CZ3 3.79Å; C275-W279 WeakPolarHBondContact O-CB 3.36Å; C275-W279 PolarHBondContact O-N 2.77Å; C275-W279 VanDerWaalsContact O-N 3.16Å; A276-W279 PolarHBondContact O-N 3.02Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-W279 PolarHBondContact O-N 2.64Å; W279-L281 PolarHBondContact O-N 2.73Å; W279-T282 WeakPolarHBondContact O-CB 3.47Å; W279-T282 PolarHBondContact O-N 3.27Å; W279-T282 VanDerWaalsContact O-N 3.12Å; W279-N283 HydrophobicContact CH2-CB 4.48Å; W279-N283 WeakPolarHBondContact O-CB 3.34Å; W279-N283 PolarHBondContact O-N 2.97Å; W279-C339 HydrophobicContact CD2-CB 4.41Å; W279-C339 HydrophobicContact CE3-CB 3.53Å; W279-C339 HydrophobicContact CH2-CB 4.2Å; W279-C339 HydrophobicContact CZ3-CB 3.41Å; W279-C339 VanDerWaalsContact CZ3-CB 3.41Å; W279-C339 WeakPolarHBondContact CZ3-O 3.2Å
280A92.2Very high88.9Confident0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-63-42.1178.800000112.6F252 Y268 L270 A276 L277 T282 N283 E284F252-A280 HydrophobicContact CE2-CB 4.06Å; F252-A280 HydrophobicContact CZ-CB 4.22Å; Y268-A280 HydrophobicContact CD1-CB 3.93Å; Y268-A280 HydrophobicContact CE1-CB 4.19Å; Y268-A280 HydrophobicContact CG-CB 4.18Å; L270-A280 HydrophobicContact CD1-CB 3.8Å; L270-A280 HydrophobicContact CD2-CB 4.08Å; A276-A280 PolarHBondContact O-N 3.5Å; A276-A280 VanDerWaalsContact O-N 3.1Å; L277-A280 PolarHBondContact O-N 2.9Å; A280-T282 VanDerWaalsContact C-N 3.27Å; A280-T282 PolarHBondContact O-N 3.14Å; A280-N283 PolarHBondContact O-N 2.97Å; A280-E284 WeakPolarHBondContact O-CB 3.39Å; A280-E284 VanDerWaalsContact O-CG 3.3Å; A280-E284 WeakPolarHBondContact O-CG 3.43Å; A280-E284 PolarHBondContact O-N 2.9Å
281L90.6Very high88.6Confident63 Ų6342 Ų4233%0.3323%0.228SC..Hα-helixtrans-58.2-38.9172.8-73.3163.8000112.1F252 L277 W279 Q285 L291F252-L281 HydrophobicContact CE1-CD2 3.91Å; F252-L281 HydrophobicContact CZ-CD2 3.98Å; F252-L281 HydrophobicContact CZ-CG 4.24Å; L277-L281 HydrophobicContact CD1-CD1 4.49Å; L277-L281 HydrophobicContact CD1-CG 4.46Å; L277-L281 HydrophobicContact CG-CD1 4.06Å; L277-L281 WeakPolarHBondContact O-CB 3.42Å; L277-L281 WeakPolarHBondContact O-CG 3.43Å; L277-L281 PolarHBondContact O-N 3.37Å; W279-L281 PolarHBondContact O-N 2.73Å; L281-Q285 WeakPolarHBondContact O-CG 3.2Å; L281-Q285 PolarHBondContact O-N 2.85Å; L281-L291 HydrophobicContact CD2-CB 4.49Å
282T86.9Confident88.3Confident53 Ų5343.4 Ų43.433%0.32523%0.232SC..Hα-helixtrans-71.9-38.3176.5-53.80000111.5W145 Q278 W279 A280 E284W145-T282 HydrophobicContact CH2-CG2 4.48Å; W145-T282 HydrophobicContact CZ3-CG2 4.3Å; Q278-T282 WeakPolarHBondContact O-CB 3.38Å; Q278-T282 PolarHBondContact O-N 2.88Å; Q278-T282 PolarHBondContact O-OG1 3.29Å; W279-T282 WeakPolarHBondContact O-CB 3.47Å; W279-T282 PolarHBondContact O-N 3.27Å; W279-T282 VanDerWaalsContact O-N 3.12Å; A280-T282 VanDerWaalsContact C-N 3.27Å; A280-T282 PolarHBondContact O-N 3.14Å; T282-E284 VanDerWaalsContact C-N 3.32Å; T282-E284 PolarHBondContact O-N 2.89Å
283N84.9Confident87.7Confident30 Ų3043.5 Ų43.516%0.1625%0.245CC..Hα-helixtrans-67.9-29.9178.2-164.447.1000112.7Y268 W279 A280 H287 N465Y268-N283 PolarHBondContact OH-ND2 3.39Å; W279-N283 HydrophobicContact CH2-CB 4.48Å; W279-N283 WeakPolarHBondContact O-CB 3.34Å; W279-N283 PolarHBondContact O-N 2.97Å; A280-N283 PolarHBondContact O-N 2.97Å; N283-H287 PolarHBondContact O-CE1 2.94Å; N283-H287 PolarHBondContact O-ND1 3.38Å; N283-N465 WeakPolarHBondContact ND2-CB 3.39Å; N283-N465 VanDerWaalsContact ND2-CG 3.34Å; N283-N465 PolarHBondContact ND2-ND2 2.9Å; N283-N465 PolarHBondContact O-ND2 2.84Å; N283-N465 PolarHBondContact OD1-ND2 2.87Å
284E86.1Confident87.4Confident1 Ų149.3 Ų49.31%0.00528%0.283CS..Hα-helixtrans-86.8-20.2-178.5-74.6-76.713300114F252 R266 Y268 A280 T282 H287 G288 G289F252-E284 HydrophobicContact CB-CG 4.12Å; F252-E284 WeakPolarHBondContact CB-OE2 3.34Å; F252-E284 HydrophobicContact CD1-CB 3.69Å; F252-E284 HydrophobicContact CD1-CG 3.45Å; F252-E284 VanDerWaalsContact CD1-CG 3.45Å; F252-E284 HydrophobicContact CD2-CG 4Å; F252-E284 HydrophobicContact CE1-CB 3.76Å; F252-E284 HydrophobicContact CE1-CG 3.71Å; F252-E284 HydrophobicContact CE2-CG 4.22Å; F252-E284 HydrophobicContact CG-CB 4.34Å; F252-E284 HydrophobicContact CG-CG 3.6Å; F252-E284 HydrophobicContact CZ-CB 4.48Å; F252-E284 HydrophobicContact CZ-CG 4.09Å; R266-E284 WeakPolarHBondContact CD-OE1 3.21Å; R266-E284 IonicContact CZ-OE1 3.17Å; R266-E284 IonicContact CZ-OE2 2.77Å; R266-E284 VanDerWaalsContact CZ-OE2 3.27Å; R266-E284 VanDerWaalsContact NE-CD 3.31Å; R266-E284 IonicContact NE-OE1 2.79Å; R266-E284 PolarHBondContact NE-OE1 3.46Å; R266-E284 IonicContact NE-OE2 2.75Å; R266-E284 PolarHBondContact NE-OE2 3.36Å; R266-E284 IonicContact NH2-OE1 2.7Å; R266-E284 IonicContact NH2-OE2 2.68Å; R266-E284 PolarHBondContact NH2-OE2 2.91Å; Y268-E284 HydrophobicContact CE2-CG 3.82Å; Y268-E284 WeakPolarHBondContact CE2-OE1 3.33Å; Y268-E284 VanDerWaalsContact CZ-OE1 3.32Å; Y268-E284 PolarHBondContact OH-OE1 3.34Å; A280-E284 WeakPolarHBondContact O-CB 3.39Å; A280-E284 VanDerWaalsContact O-CG 3.3Å; A280-E284 WeakPolarHBondContact O-CG 3.43Å; A280-E284 PolarHBondContact O-N 2.9Å; T282-E284 VanDerWaalsContact C-N 3.32Å; T282-E284 PolarHBondContact O-N 2.89Å; E284-H287 PolarHBondContact O-N 3.27Å; E284-H287 VanDerWaalsContact O-N 3.1Å; E284-G288 PolarHBondContact O-N 3.15Å; E284-G289 PolarHBondContact O-N 2.76Å; E284-G289 WeakPolarHBondContact OE2-CA 3.36Å
285Q82.9Confident87.3Confident139 Ų13948.3 Ų48.365%0.6528%0.277SS*.G310 helixtrans-54.1-50.2-177.9-91.7-75.1-12.300114.9L281 H287 G288L281-Q285 WeakPolarHBondContact O-CG 3.2Å; L281-Q285 PolarHBondContact O-N 2.85Å; Q285-H287 PolarHBondContact O-N 3.46Å; Q285-G288 PolarHBondContact O-N 2.85Å
286P77Confident87.2Confident73 Ų7350.5 Ų50.547%0.47429%0.286SS..G310 helixtrans-65.1-16.2-178.5-15.228.1000113.2P403P286-P403 WeakPolarHBondContact O-CA 3.47Å; P286-P403 VanDerWaalsContact O-CB 3.24Å; P286-P403 WeakPolarHBondContact O-CB 3.48Å
287H73.6Confident87.2Confident19 Ų1954.6 Ų54.69%0.08831%0.307CS..G310 helixtrans-104.47.1-171.1-44.4106.9000112.2S254 N283 E284 Q285 G289 P404 N406 N465S254-H287 WeakPolarHBondContact CB-O 3.36Å; S254-H287 PolarHBondContact OG-O 2.87Å; N283-H287 PolarHBondContact O-CE1 2.94Å; N283-H287 PolarHBondContact O-ND1 3.38Å; E284-H287 PolarHBondContact O-N 3.27Å; E284-H287 VanDerWaalsContact O-N 3.1Å; Q285-H287 PolarHBondContact O-N 3.46Å; H287-G289 PolarHBondContact O-N 3.23Å; H287-P404 PolarHBondContact CD2-O 3.27Å; H287-N406 PolarHBondContact CD2-ND2 3.16Å; H287-N406 PolarHBondContact CD2-OD1 2.8Å; H287-N406 VanDerWaalsContact CD2-OD1 3.29Å; H287-N406 PolarHBondContact CE1-ND2 3.14Å; H287-N406 PolarHBondContact ND1-ND2 3.16Å; H287-N406 PolarHBondContact NE2-ND2 2.91Å; H287-N406 PolarHBondContact NE2-OD1 3.21Å; H287-N465 PolarHBondContact CE1-ND2 3.1Å; H287-N465 PolarHBondContact ND1-ND2 2.85Å
288G77.4Confident87.1Confident41 Ų4153.2 Ų53.242%0.42330%0.299SS..THydrogen-bonded Turntrans64.515.2-175.700000114E284 Q285 R290E284-G288 PolarHBondContact O-N 3.15Å; Q285-G288 PolarHBondContact O-N 2.85Å; G288-R290 PolarHBondContact O-N 2.9Å
289G83.2Confident87.1Confident14 Ų1452.1 Ų52.114%0.14430%0.296CS..  trans-68.8120.4-175.500000112.3E284 H287E284-G289 PolarHBondContact O-N 2.76Å; E284-G289 WeakPolarHBondContact OE2-CA 3.36Å; H287-G289 PolarHBondContact O-N 3.23Å
290R85Confident87.3Confident101 Ų10149.3 Ų49.338%0.38129%0.285SS..EExtended strand (participates in β ladder)trans-106.2131.7172.6-59.4-164.7-173.1-72.86.3110.1F252 C253 G288 R292 S392 A394F252-R290 WeakPolarHBondContact CA-O 3.38Å; C253-R290 PolarHBondContact N-O 3.18Å; C253-R290 PolarHBondContact O-N 3.36Å; C253-R290 VanDerWaalsContact O-N 3.08Å; G288-R290 PolarHBondContact O-N 2.9Å; R290-R292 PolarHBondContact O-N 2.71Å; R290-S392 PolarHBondContact NE-O 3.13Å; R290-A394 PolarHBondContact NH2-O 3.11Å
291L90.3Very high87.3Confident58 Ų5849.4 Ų49.430%0.30429%0.286SS..EExtended strand (participates in β ladder)trans-61.2130170.5-176.672.3000109.1A250 V251 F252 L281A250-L291 HydrophobicContact CB-CD1 3.88Å; V251-L291 CarbonylContact O-C 3.59Å; V251-L291 WeakPolarHBondContact O-CA 3.48Å; F252-L291 HydrophobicContact CD1-CB 4.18Å; F252-L291 HydrophobicContact CD2-CD1 4.22Å; F252-L291 HydrophobicContact CE1-CB 3.87Å; F252-L291 HydrophobicContact CE1-CD1 4.4Å; F252-L291 HydrophobicContact CE2-CD1 3.87Å; F252-L291 HydrophobicContact CZ-CB 4.21Å; F252-L291 HydrophobicContact CZ-CD1 3.97Å; L281-L291 HydrophobicContact CD2-CB 4.49Å
292R88.3Confident87.4Confident39 Ų3947.1 Ų47.115%0.14728%0.277CS..  trans-115.7112.2179.8-61.3-62-174.91572.9109.3V251 C253 R290 E391V251-R292 PolarHBondContact O-N 3.49Å; C253-R292 HydrophobicContact CB-CG 3.9Å; R290-R292 PolarHBondContact O-N 2.71Å; R292-E391 PolarHBondContact NH1-O 2.67Å
293G85.1Confident87.5Confident53 Ų5348.1 Ų48.155%0.54629%0.291SS..SBendtrans81.1176.9-178.200000114.6
294P88.4Confident87.6Confident126 Ų12650.8 Ų50.882%0.81830%0.299SS*.PPolyproline II helixtrans-72153.3173.932-35.1000111.2Q296P294-Q296 PolarHBondContact O-N 3.07Å
295C93.5Very high87.7Confident30 Ų3051.5 Ų51.520%0.20331%0.306CS..PPolyproline II helixtrans-72129.4174.4-63.30000110.9Q248 L249Q248-C295 HydrophobicContact CB-CB 4.19Å; L249-C295 CarbonylContact O-C 3.57Å; L249-C295 VanDerWaalsContact O-CA 3.23Å; L249-C295 WeakPolarHBondContact O-CA 3.39Å
296Q93.6Very high88.1Confident53 Ų5348.1 Ų48.125%0.24829%0.293CS..EExtended strand (participates in β ladder)trans-87.8119.4-177.1177.9166.1-7.100111Q248 L249 P294 E381 I382 L383Q248-Q296 CarbonylContact C-O 3.54Å; Q248-Q296 WeakPolarHBondContact CA-O 3.34Å; L249-Q296 HydrophobicContact CB-CB 4.3Å; L249-Q296 PolarHBondContact N-O 2.88Å; L249-Q296 PolarHBondContact O-N 2.84Å; P294-Q296 PolarHBondContact O-N 3.07Å; Q296-E381 PolarHBondContact NE2-OE2 3.1Å; Q296-I382 PolarHBondContact NE2-O 2.84Å; Q296-I382 PolarHBondContact OE1-O 3.39Å; Q296-L383 HydrophobicContact CB-CD2 4.26Å
297L93.9Very high88.8Confident92 Ų9244.8 Ų44.848%0.48227%0.271SS..EExtended strand (participates in β ladder)trans-81.9136.5180-61.4-175.9000111.5L247 Q248 N272L247-L297 WeakPolarHBondContact O-CA 3.41Å; Q248-L297 HydrophobicContact CB-CD2 3.7Å; N272-L297 HydrophobicContact CB-CD2 4.43Å
298F93.3Very high89.7Confident8 Ų844.4 Ų44.44%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-147.4164174.179.6-76.9000113.2W246 L247 L249 F269 F300 E381W246-F298 WeakPolarHBondContact CA-O 3.42Å; L247-F298 HydrophobicContact CB-CD1 3.83Å; L247-F298 HydrophobicContact CB-CE1 3.44Å; L247-F298 VanDerWaalsContact CB-CE1 3.44Å; L247-F298 HydrophobicContact CB-CZ 3.9Å; L247-F298 HydrophobicContact CD1-CE1 4Å; L247-F298 HydrophobicContact CD1-CE2 4.17Å; L247-F298 HydrophobicContact CD1-CZ 3.57Å; L247-F298 HydrophobicContact CG-CE1 4.35Å; L247-F298 HydrophobicContact CG-CZ 4.34Å; L247-F298 PolarHBondContact N-O 2.94Å; L247-F298 PolarHBondContact O-N 2.57Å; L249-F298 HydrophobicContact CD1-CD1 3.81Å; L249-F298 HydrophobicContact CD1-CE1 3.92Å; L249-F298 HydrophobicContact CD2-CD1 4.28Å; L249-F298 HydrophobicContact CD2-CE1 3.58Å; L249-F298 HydrophobicContact CD2-CZ 4.25Å; L249-F298 HydrophobicContact CG-CD1 3.72Å; L249-F298 HydrophobicContact CG-CE1 3.53Å; F269-F298 HydrophobicContact CD1-CE1 4.45Å; F269-F298 HydrophobicContact CD1-CZ 4.1Å; F269-F298 HydrophobicContact CE1-CZ 4.41Å; F298-F300 HydrophobicContact CE2-CB 4.33Å; F298-F300 HydrophobicContact CE2-CD2 4.13Å; F298-F300 HydrophobicContact CZ-CD2 4.45Å; F298-E381 HydrophobicContact CB-CG 3.52Å; F298-E381 HydrophobicContact CD2-CG 4.36Å; F298-E381 HydrophobicContact CG-CG 4.05Å
299D92.5Very high90.4Very high42 Ų4242.4 Ų42.423%0.22525%0.25CC..EExtended strand (participates in β ladder)trans-95.2132.7179.3-172.124.3000111.4Q186 R244 W246Q186-D299 PolarHBondContact NE2-OD1 3.07Å; Q186-D299 PolarHBondContact NE2-OD2 3.06Å; R244-D299 WeakPolarHBondContact CB-OD1 3.33Å; R244-D299 WeakPolarHBondContact CD-OD2 3.27Å; R244-D299 IonicContact CZ-OD2 2.73Å; R244-D299 IonicContact NE-OD2 3.64Å; R244-D299 IonicContact NH1-OD2 3.27Å; R244-D299 PolarHBondContact NH1-OD2 2.79Å; W246-D299 HydrophobicContact CE3-CB 4.24Å; W246-D299 HydrophobicContact CH2-CB 4.31Å; W246-D299 HydrophobicContact CZ3-CB 3.8Å
300F94.5Very high90.8Very high0 Ų045.7 Ų45.70%026%0.26CS..EExtended strand (participates in β ladder)trans-125.8121.3-178.7-174-82.2000111.5R244 K245 L247 F298 H331 I334 W335 Q372R244-F300 VanDerWaalsContact CA-O 3.29Å; R244-F300 WeakPolarHBondContact CA-O 3.37Å; K245-F300 PolarHBondContact N-O 3.21Å; K245-F300 PolarHBondContact O-N 3.28Å; L247-F300 HydrophobicContact CD1-CB 3.4Å; L247-F300 VanDerWaalsContact CD1-CB 3.4Å; L247-F300 HydrophobicContact CD1-CD1 4.41Å; L247-F300 HydrophobicContact CD1-CD2 3.63Å; L247-F300 HydrophobicContact CD1-CG 3.57Å; L247-F300 HydrophobicContact CG-CB 3.82Å; L247-F300 HydrophobicContact CG-CG 4.44Å; F298-F300 HydrophobicContact CE2-CB 4.33Å; F298-F300 HydrophobicContact CE2-CD2 4.13Å; F298-F300 HydrophobicContact CZ-CD2 4.45Å; F300-H331 AromaticContact CE1-CD2 3.7Å; F300-H331 AromaticContact CE1-NE2 3.86Å; F300-H331 AromaticContact CZ-CD2 3.69Å; F300-I334 HydrophobicContact CD1-CG2 4.22Å; F300-I334 HydrophobicContact CD2-CG2 3.94Å; F300-I334 HydrophobicContact CE1-CB 4.49Å; F300-I334 HydrophobicContact CE1-CG2 4.02Å; F300-I334 HydrophobicContact CE2-CB 4.16Å; F300-I334 HydrophobicContact CE2-CD1 3.75Å; F300-I334 HydrophobicContact CE2-CG2 3.72Å; F300-I334 HydrophobicContact CG-CG2 4.19Å; F300-I334 HydrophobicContact CZ-CB 3.96Å; F300-I334 HydrophobicContact CZ-CD1 4.26Å; F300-I334 HydrophobicContact CZ-CG2 3.75Å; F300-W335 AromaticContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CZ3 4.1Å; F300-W335 HydrophobicContact CE1-CB 4.46Å; F300-W335 AromaticContact CE1-CE3 3.8Å; F300-W335 HydrophobicContact CE1-CE3 3.8Å; F300-Q372 HydrophobicContact CD2-CG 4.01Å; F300-Q372 HydrophobicContact CE2-CG 4.01Å; F300-Q372 VanDerWaalsContact CE2-NE2 3.26Å; F300-Q372 VanDerWaalsContact CZ-NE2 3.31Å
301S93.3Very high91.1Very high3 Ų341.7 Ų41.72%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-86.1131177.4173.90000112.5E242 A303 Q372E242-S301 VanDerWaalsContact CD-OG 3.28Å; E242-S301 WeakPolarHBondContact CG-OG 3.34Å; E242-S301 VanDerWaalsContact OE1-CB 3.28Å; E242-S301 WeakPolarHBondContact OE1-CB 3.21Å; E242-S301 PolarHBondContact OE1-OG 3.49Å; S301-A303 PolarHBondContact O-N 3.42Å; S301-A303 PolarHBondContact OG-N 2.9Å; S301-A303 VanDerWaalsContact OG-N 3.08Å; S301-Q372 PolarHBondContact O-NE2 3.1Å
302G91.2Very high91.2Very high14 Ų1444.5 Ų44.514%0.14426%0.256CS..THydrogen-bonded Turntrans-78.10.4170.700000114.8A243 H331 W335A243-G302 PolarHBondContact O-N 3.02Å; G302-H331 WeakPolarHBondContact CA-NE2 3.28Å; G302-W335 VanDerWaalsContact CA-CH2 3.4Å; G302-W335 VanDerWaalsContact CA-CZ3 3.44Å
303A88.7Confident91.4Very high75 Ų7548.5 Ų48.562%0.6227%0.272SS*.THydrogen-bonded Turntrans-1001.9177.900000113.2E242 S301E242-A303 HydrophobicContact CG-CB 4.03Å; S301-A303 PolarHBondContact O-N 3.42Å; S301-A303 PolarHBondContact OG-N 2.9Å; S301-A303 VanDerWaalsContact OG-N 3.08Å
304R87.8Confident91.7Very high86 Ų8647.7 Ų47.733%0.32526%0.255SS..SBendtrans-106.9173.1-176.3-70.6-172.6173.4-82.2-12.3112.7H331 Q372 D373 L375R304-H331 PolarHBondContact O-CD2 2.93Å; R304-Q372 HydrophobicContact CB-CB 4.27Å; R304-D373 PolarHBondContact NH1-O 2.81Å; R304-L375 VanDerWaalsContact CZ-CD2 3.45Å
305G88.5Confident91.7Very high15 Ų1542.2 Ų42.216%0.15522%0.219CC..  trans-76.4-157.917000000113
306D90.9Very high91.3Very high69 Ų6948.6 Ų48.637%0.36925%0.246SC..  trans-69.9170.1-176.1-57.6-34.9000112.4V329 P330 H331 D373D306-V329 WeakPolarHBondContact CB-O 3.48Å; D306-P330 WeakPolarHBondContact OD1-CA 3.35Å; D306-H331 WeakPolarHBondContact OD1-CB 3.35Å; D306-H331 PolarHBondContact OD1-N 2.89Å; D306-D373 PolarHBondContact O-N 3.25Å
307Q92.6Very high90.7Very high2 Ų246.4 Ų46.41%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-104.3124.6176.6-172.2101.912.300109.7F269 L328 V329 I334 T370 F371F269-Q307 HydrophobicContact CE1-CG 3.85Å; Q307-L328 CarbonylContact O-C 3.55Å; Q307-L328 WeakPolarHBondContact O-CA 3.5Å; Q307-V329 HydrophobicContact CB-CB 4.34Å; Q307-V329 PolarHBondContact N-O 3.05Å; Q307-V329 VanDerWaalsContact N-O 3.09Å; Q307-V329 PolarHBondContact O-N 2.86Å; Q307-I334 HydrophobicContact CB-CD1 3.97Å; Q307-T370 VanDerWaalsContact CG-OG1 3.3Å; Q307-T370 WeakPolarHBondContact CG-OG1 3.22Å; Q307-T370 PolarHBondContact NE2-OG1 2.74Å; Q307-F371 CarbonylContact C-O 3.57Å; Q307-F371 WeakPolarHBondContact CA-O 3.47Å; Q307-F371 WeakPolarHBondContact CG-O 3.29Å
308C91.8Very high90.4Very high11 Ų1142.3 Ų42.37%0.07422%0.216CC..EExtended strand (participates in β ladder)trans-89134.6165.11680000109.2C326 L328 T370 F371C308-C326 WeakPolarHBondContact CB-SG 3.49Å; C308-C326 WeakPolarHBondContact SG-CB 3.26Å; C308-C326 CovalentContact SG-SG 2.05Å; C308-C326 PolarHBondContact SG-SG 2.76Å; C308-L328 HydrophobicContact CB-CD2 3.84Å; C308-T370 VanDerWaalsContact O-CA 3.3Å; C308-T370 WeakPolarHBondContact O-CA 3.38Å; C308-T370 PolarHBondContact O-OG1 3.2Å; C308-F371 HydrophobicContact CB-CD2 4.32Å; C308-F371 HydrophobicContact CB-CE1 4.3Å; C308-F371 HydrophobicContact CB-CE2 3.56Å; C308-F371 HydrophobicContact CB-CZ 3.55Å; C308-F371 PolarHBondContact N-O 2.73Å; C308-F371 PolarHBondContact O-N 2.83Å; C308-F371 VanDerWaalsContact O-N 3.16Å; C308-F371 VanDerWaalsContact SG-CZ 3.57Å
309L92.2Very high90.1Very high0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-106.7110.3164.3172.359.5000107.8I267 F269 C326 Q327 R342 F344 M368 L383I267-L309 HydrophobicContact CB-CD2 3.91Å; I267-L309 HydrophobicContact CD1-CD1 4.19Å; I267-L309 HydrophobicContact CD1-CD2 3.72Å; I267-L309 HydrophobicContact CD1-CG 4.49Å; I267-L309 HydrophobicContact CG1-CD2 4.4Å; I267-L309 HydrophobicContact CG2-CD2 3.99Å; F269-L309 HydrophobicContact CE2-CD2 4.22Å; F269-L309 HydrophobicContact CZ-CB 4.27Å; F269-L309 HydrophobicContact CZ-CD2 4.2Å; L309-C326 VanDerWaalsContact O-CA 3.3Å; L309-C326 WeakPolarHBondContact O-CA 3.42Å; L309-Q327 PolarHBondContact N-O 2.95Å; L309-Q327 PolarHBondContact O-N 3.07Å; L309-R342 HydrophobicContact CD2-CB 3.93Å; L309-F344 HydrophobicContact CD2-CE2 3.73Å; L309-F344 HydrophobicContact CG-CE2 4.01Å; L309-F344 HydrophobicContact CG-CZ 4.37Å; L309-M368 HydrophobicContact CD1-CB 3.85Å; L309-M368 HydrophobicContact CD1-CE 4.26Å; L309-M368 HydrophobicContact CD1-SD 4.37Å; L309-M368 HydrophobicContact CG-CE 4.14Å; L309-L383 HydrophobicContact CD1-CD1 3.98Å
310K91.8Very high89.8Confident82 Ų8244.4 Ų44.436%0.35723%0.226SC..EExtended strand (participates in β ladder)trans-113.2118.4-173-170.3155.4-171.3164.30112.2S325 C326 M368 H369 F371K310-S325 CarbonylContact C-O 3.54Å; K310-S325 VanDerWaalsContact CA-O 3.3Å; K310-S325 WeakPolarHBondContact CA-O 3.26Å; K310-C326 HydrophobicContact CB-CB 4.19Å; K310-C326 HydrophobicContact CD-CB 4.33Å; K310-C326 HydrophobicContact CG-CB 4.19Å; K310-M368 CarbonylContact O-C 3.52Å; K310-M368 WeakPolarHBondContact O-CA 3.4Å; K310-H369 PolarHBondContact N-O 3.32Å; K310-H369 PolarHBondContact O-N 3.18Å; K310-F371 HydrophobicContact CB-CE1 4.32Å
311L91.4Very high89.2Confident18 Ų1847.3 Ų47.39%0.09424%0.244CC..EExtended strand (participates in β ladder)trans-57.9136.6165.5-175.461.9000110.4I314 N320 S325 F346 V366 M368L311-I314 HydrophobicContact CD1-CG1 3.94Å; L311-I314 HydrophobicContact CD2-CD1 3.86Å; L311-I314 HydrophobicContact CD2-CG1 4.15Å; L311-I314 HydrophobicContact CG-CG1 4.37Å; L311-N320 HydrophobicContact CD2-CB 3.94Å; L311-N320 WeakPolarHBondContact CD2-OD1 3.18Å; L311-S325 WeakPolarHBondContact CB-O 3.35Å; L311-S325 PolarHBondContact N-O 2.78Å; L311-F346 HydrophobicContact CD1-CE1 4.18Å; L311-F346 HydrophobicContact CD1-CZ 4.3Å; L311-F346 HydrophobicContact CD2-CE1 4.31Å; L311-V366 HydrophobicContact CD1-CG1 3.48Å; L311-V366 VanDerWaalsContact CD1-CG1 3.48Å; L311-M368 HydrophobicContact CB-CE 3.94Å; L311-M368 HydrophobicContact CD1-CE 4.15Å; L311-M368 HydrophobicContact CD1-CG 4.27Å
312K92.6Very high88.5Confident117 Ų11747.9 Ų47.951%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-128.8-32-179-72.3-68-166.7159.60114.2T367 H369K312-T367 PolarHBondContact N-O 3.18Å; K312-H369 HydrophobicContact CG-CB 4.03Å
313Y92Very high87.4Confident122 Ų12255.8 Ų55.848%0.47829%0.285SS..EExtended strand (participates in β ladder)trans-150.1143-179.3174.1-95.6000109.6I365 V366 T367Y313-I365 HydrophobicContact CE1-CG2 4.37Å; Y313-V366 VanDerWaalsContact O-CA 3.31Å; Y313-V366 WeakPolarHBondContact O-CA 3.45Å; Y313-V366 WeakPolarHBondContact O-CG1 3.4Å; Y313-T367 PolarHBondContact N-O 2.89Å; Y313-T367 PolarHBondContact O-N 2.99Å
314I90.9Very high87Confident36 Ų3655 Ų5519%0.18528%0.275CS..EExtended strand (participates in β ladder)trans-129144.9165.4-51.4168.8000105.6L311 W318 N320 F346 I364 I365 V366L311-I314 HydrophobicContact CD1-CG1 3.94Å; L311-I314 HydrophobicContact CD2-CD1 3.86Å; L311-I314 HydrophobicContact CD2-CG1 4.15Å; L311-I314 HydrophobicContact CG-CG1 4.37Å; I314-W318 HydrophobicContact CG2-CB 3.53Å; I314-N320 HydrophobicContact CD1-CB 3.98Å; I314-F346 HydrophobicContact CD1-CD1 3.95Å; I314-F346 HydrophobicContact CD1-CE1 3.85Å; I314-F346 HydrophobicContact CG1-CD1 4.39Å; I314-F346 HydrophobicContact CG1-CE1 4.06Å; I314-I364 HydrophobicContact CG2-CD1 4.12Å; I314-I364 HydrophobicContact CG2-CG1 4.16Å; I314-I365 CarbonylContact C-O 3.57Å; I314-I365 WeakPolarHBondContact CA-O 3.27Å; I314-V366 HydrophobicContact CB-CG2 4.41Å; I314-V366 HydrophobicContact CG1-CG2 4.28Å; I314-V366 HydrophobicContact CG2-CG2 4.09Å
315S88.4Confident87Confident11 Ų1153.7 Ų53.78%0.07728%0.279CS..  trans-60.4158.1171.149.80000112.7W318 I364 I365S315-W318 PolarHBondContact O-N 2.85Å; S315-I364 WeakPolarHBondContact OG-CA 3.3Å; S315-I365 PolarHBondContact N-O 3.01Å; S315-I365 PolarHBondContact OG-N 3.03Å
316E84.7Confident86.9Confident164 Ų16454.5 Ų54.577%0.76628%0.282SS*.THydrogen-bonded Turntrans-59.1152.8173-170.2157.8-149.800111.5W318E316-W318 PolarHBondContact O-N 3.21Å
317G82.8Confident86.7Confident7 Ų753.1 Ų53.17%0.07227%0.274CS..THydrogen-bonded Turntrans77.4-8.4-172.700000115.9R348 K349 L360G317-R348 CarbonylContact O-C 3.57Å; G317-R348 WeakPolarHBondContact O-CA 3.49Å; G317-K349 PolarHBondContact O-N 2.91Å; G317-L360 VanDerWaalsContact CA-CD2 3.44Å
318W86.8Confident86.4Confident7 Ų758.2 Ų58.23%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-119.6158.7179.8-66.687.3000112.7L263 I314 S315 E316 F346 R347 R348 K349 E363 I364L263-W318 HydrophobicContact CD1-CH2 3.49Å; L263-W318 VanDerWaalsContact CD1-CH2 3.49Å; L263-W318 HydrophobicContact CD1-CZ2 4.18Å; L263-W318 HydrophobicContact CD1-CZ3 3.78Å; L263-W318 HydrophobicContact CG-CH2 3.9Å; L263-W318 HydrophobicContact CG-CZ3 3.95Å; I314-W318 HydrophobicContact CG2-CB 3.53Å; S315-W318 PolarHBondContact O-N 2.85Å; E316-W318 PolarHBondContact O-N 3.21Å; W318-F346 HydrophobicContact CE3-CB 4.16Å; W318-R347 CarbonylContact C-O 3.53Å; W318-R347 WeakPolarHBondContact CA-O 3.23Å; W318-R348 HydrophobicContact CE3-CB 4.41Å; W318-R348 HydrophobicContact CH2-CB 4.45Å; W318-R348 HydrophobicContact CZ3-CB 4.31Å; W318-K349 WeakPolarHBondContact O-CE 3.43Å; W318-E363 PolarHBondContact NE1-O 3.26Å; W318-I364 HydrophobicContact CB-CD1 4.15Å; W318-I364 HydrophobicContact CB-CG1 4.08Å; W318-I364 HydrophobicContact CD2-CB 3.88Å; W318-I364 HydrophobicContact CD2-CD1 3.91Å; W318-I364 HydrophobicContact CD2-CG1 3.83Å; W318-I364 HydrophobicContact CE3-CB 4.41Å; W318-I364 HydrophobicContact CE3-CD1 3.89Å; W318-I364 HydrophobicContact CE3-CG1 4.31Å; W318-I364 HydrophobicContact CG-CB 4.13Å; W318-I364 HydrophobicContact CG-CD1 4.04Å; W318-I364 HydrophobicContact CG-CG1 3.71Å; W318-I364 HydrophobicContact CZ2-CB 4.22Å
319E86.4Confident86.2Confident55 Ų5557.7 Ų57.726%0.25730%0.297SS..EExtended strand (participates in β ladder)trans-147.3157.1175.856.8-177-156.200112.8F346 R347 K349E319-F346 CarbonylContact O-C 3.46Å; E319-F346 VanDerWaalsContact O-CA 3.28Å; E319-F346 WeakPolarHBondContact O-CA 3.34Å; E319-R347 HydrophobicContact CG-CB 4.21Å; E319-R347 PolarHBondContact N-O 3.32Å; E319-R347 PolarHBondContact O-N 2.88Å; E319-R347 IonicContact OE1-CZ 3.17Å; E319-R347 IonicContact OE1-NE 2.76Å; E319-R347 PolarHBondContact OE1-NE 2.85Å; E319-R347 IonicContact OE1-NH2 3.75Å; E319-R347 PolarHBondContact OE1-NH2 3.03Å; E319-K349 HydrophobicContact CB-CG 4.24Å; E319-K349 HydrophobicContact CG-CG 3.93Å; E319-K349 WeakPolarHBondContact OE2-CE 3.4Å
320N86Confident86Confident38 Ų3859.6 Ų59.620%0.20331%0.309CS..EExtended strand (participates in β ladder)trans-78.6132.5173.5-158.972.9000109.4L311 I314 D322 F346L311-N320 HydrophobicContact CD2-CB 3.94Å; L311-N320 WeakPolarHBondContact CD2-OD1 3.18Å; I314-N320 HydrophobicContact CD1-CB 3.98Å; N320-D322 WeakPolarHBondContact ND2-CB 3.49Å; N320-D322 PolarHBondContact ND2-N 2.77Å; N320-D322 PolarHBondContact ND2-O 2.68Å; N320-F346 WeakPolarHBondContact OD1-CE1 3.3Å
321V83.1Confident85.9Confident62 Ų6255.8 Ų55.838%0.37629%0.293SS..  trans-87.5-19.8175.7-1750000111.4C345 R347V321-C345 HydrophobicContact CB-CB 4.04Å; V321-C345 HydrophobicContact CG2-CB 4.4Å; V321-C345 PolarHBondContact N-O 2.9Å; V321-R347 HydrophobicContact CG2-CB 3.5Å; V321-R347 VanDerWaalsContact CG2-CB 3.5Å
322D77.3Confident85.8Confident15 Ų1558 Ų588%0.0831%0.305CS..SBendtrans-84.1144-174.7-42.2-54.2000112.9N320 S324 F344 C345 R407N320-D322 WeakPolarHBondContact ND2-CB 3.49Å; N320-D322 PolarHBondContact ND2-N 2.77Å; N320-D322 PolarHBondContact ND2-O 2.68Å; D322-S324 PolarHBondContact O-N 2.75Å; D322-S324 VanDerWaalsContact O-N 3.1Å; D322-F344 VanDerWaalsContact OD2-CA 3.27Å; D322-F344 WeakPolarHBondContact OD2-CA 3.35Å; D322-C345 PolarHBondContact OD2-N 3.41Å; D322-R407 IonicContact OD1-CZ 3.17Å; D322-R407 IonicContact OD1-NH1 2.73Å; D322-R407 PolarHBondContact OD1-NH1 3.03Å; D322-R407 IonicContact OD1-NH2 2.74Å; D322-R407 PolarHBondContact OD1-NH2 2.83Å
323D69.6Low85.6Confident179 Ų17954 Ų5496%0.95729%0.287SS*.SBendtrans-59.7-22.8179.5-53.8-65.9000114.2
324S79.9Confident85.7Confident58 Ų5848.2 Ų48.241%0.40627%0.265SS..  trans-124.8135.1-176.5-173.70000113.6D322 C326D322-S324 PolarHBondContact O-N 2.75Å; D322-S324 VanDerWaalsContact O-N 3.1Å; S324-C326 PolarHBondContact OG-N 2.77Å; S324-C326 VanDerWaalsContact OG-N 3.16Å; S324-C326 PolarHBondContact OG-O 3.18Å
325S86.9Confident85.8Confident59 Ų5946.5 Ų46.541%0.41326%0.256SS..SBendtrans-89.3-1.217153.90000114.1K310 L311K310-S325 CarbonylContact C-O 3.54Å; K310-S325 VanDerWaalsContact CA-O 3.3Å; K310-S325 WeakPolarHBondContact CA-O 3.26Å; L311-S325 WeakPolarHBondContact CB-O 3.35Å; L311-S325 PolarHBondContact N-O 2.78Å
326C87.8Confident86Confident33 Ų3348.3 Ų48.322%0.22326%0.263CS..EExtended strand (participates in β ladder)trans-127.7137.5161.2165.60000110.6C308 L309 K310 S324C308-C326 WeakPolarHBondContact CB-SG 3.49Å; C308-C326 WeakPolarHBondContact SG-CB 3.26Å; C308-C326 CovalentContact SG-SG 2.05Å; C308-C326 PolarHBondContact SG-SG 2.76Å; L309-C326 VanDerWaalsContact O-CA 3.3Å; L309-C326 WeakPolarHBondContact O-CA 3.42Å; K310-C326 HydrophobicContact CB-CB 4.19Å; K310-C326 HydrophobicContact CD-CB 4.33Å; K310-C326 HydrophobicContact CG-CB 4.19Å; S324-C326 PolarHBondContact OG-N 2.77Å; S324-C326 VanDerWaalsContact OG-N 3.16Å; S324-C326 PolarHBondContact OG-O 3.18Å
327Q86.3Confident86.2Confident40 Ų4040.9 Ų40.919%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-117.2133.8167.1-62.8175.412.700109L309 R342 S343 F344L309-Q327 PolarHBondContact N-O 2.95Å; L309-Q327 PolarHBondContact O-N 3.07Å; Q327-R342 HydrophobicContact CB-CG 4.16Å; Q327-R342 VanDerWaalsContact OE1-CD 3.29Å; Q327-S343 PolarHBondContact NE2-O 3.09Å; Q327-S343 PolarHBondContact OE1-O 3.48Å; Q327-F344 HydrophobicContact CB-CE2 4.36Å; Q327-F344 HydrophobicContact CB-CZ 3.98Å; Q327-F344 VanDerWaalsContact CD-CZ 3.48Å; Q327-F344 HydrophobicContact CG-CE1 4.09Å; Q327-F344 HydrophobicContact CG-CE2 4.11Å; Q327-F344 HydrophobicContact CG-CZ 3.56Å
328L86.3Confident86.4Confident108 Ų10843.5 Ų43.557%0.56524%0.24SC*.EExtended strand (participates in β ladder)trans-88.2140.3175.9-70.4169.9000110.3Q307 C308 R342Q307-L328 CarbonylContact O-C 3.55Å; Q307-L328 WeakPolarHBondContact O-CA 3.5Å; C308-L328 HydrophobicContact CB-CD2 3.84Å; L328-R342 PolarHBondContact O-NE 2.77Å; L328-R342 PolarHBondContact O-NH2 3.36Å
329V88.1Confident86.6Confident0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-114.5117.4175-164.40000108.9F269 D306 Q307 H331 I334 P340 R342F269-V329 HydrophobicContact CD2-CG1 4.37Å; F269-V329 HydrophobicContact CD2-CG2 4.1Å; F269-V329 HydrophobicContact CE2-CG2 3.73Å; F269-V329 HydrophobicContact CZ-CG2 4.02Å; D306-V329 WeakPolarHBondContact CB-O 3.48Å; Q307-V329 HydrophobicContact CB-CB 4.34Å; Q307-V329 PolarHBondContact N-O 3.05Å; Q307-V329 VanDerWaalsContact N-O 3.09Å; Q307-V329 PolarHBondContact O-N 2.86Å; V329-H331 PolarHBondContact O-N 2.86Å; V329-I334 HydrophobicContact CB-CD1 4.02Å; V329-I334 HydrophobicContact CG1-CD1 3.78Å; V329-I334 HydrophobicContact CG1-CG1 3.85Å; V329-P340 HydrophobicContact CG1-CB 4.19Å; V329-P340 HydrophobicContact CG1-CG 3.8Å; V329-R342 HydrophobicContact CG2-CG 3.57Å
330P88Confident86.8Confident40 Ų4041.3 Ų41.326%0.2623%0.232SC..  trans-56.6128-176.9-28.334.7000112.9D306 L332 H333 I334D306-P330 WeakPolarHBondContact OD1-CA 3.35Å; P330-L332 PolarHBondContact O-N 3.41Å; P330-L332 VanDerWaalsContact O-N 3.12Å; P330-H333 HydrophobicContact CB-CB 4.31Å; P330-H333 WeakPolarHBondContact O-CB 3.38Å; P330-H333 PolarHBondContact O-N 3.29Å; P330-I334 PolarHBondContact O-N 3.4Å
331H88.8Confident87Confident2 Ų240 Ų401%0.00922%0.224CC..Hα-helixtrans-46-47.7178.5167.4-87.1000111.3F300 G302 R304 D306 V329 H333 I334 W335F300-H331 AromaticContact CE1-CD2 3.7Å; F300-H331 AromaticContact CE1-NE2 3.86Å; F300-H331 AromaticContact CZ-CD2 3.69Å; G302-H331 WeakPolarHBondContact CA-NE2 3.28Å; R304-H331 PolarHBondContact O-CD2 2.93Å; D306-H331 WeakPolarHBondContact OD1-CB 3.35Å; D306-H331 PolarHBondContact OD1-N 2.89Å; V329-H331 PolarHBondContact O-N 2.86Å; H331-H333 VanDerWaalsContact C-N 3.34Å; H331-H333 PolarHBondContact O-N 3.01Å; H331-I334 PolarHBondContact O-N 2.88Å; H331-W335 AromaticContact CE1-CD1 3.81Å; H331-W335 AromaticContact CE1-CG 3.61Å; H331-W335 WeakPolarHBondContact O-CB 3.41Å; H331-W335 PolarHBondContact O-N 3.01Å
332L89.2Confident87.2Confident66 Ų6638.5 Ų38.535%0.34621%0.212SC..Hα-helixtrans-70.8-24.7-177.1-71.1176.9000113.9R155 P330 H336R155-L332 HydrophobicContact CG-CD2 4.23Å; P330-L332 PolarHBondContact O-N 3.41Å; P330-L332 VanDerWaalsContact O-N 3.12Å; L332-H336 WeakPolarHBondContact O-CB 3.36Å; L332-H336 PolarHBondContact O-N 2.83Å
333H89.1Confident87.7Confident31 Ų3138.7 Ų38.714%0.14421%0.214CC..Hα-helixtrans-69.3-44.7174.8-68.9-166.2000109.6P330 H331 G337 K338 P340 E463P330-H333 HydrophobicContact CB-CB 4.31Å; P330-H333 WeakPolarHBondContact O-CB 3.38Å; P330-H333 PolarHBondContact O-N 3.29Å; H331-H333 VanDerWaalsContact C-N 3.34Å; H331-H333 PolarHBondContact O-N 3.01Å; H333-G337 PolarHBondContact O-N 2.89Å; H333-K338 HydrophobicContact CB-CB 4.36Å; H333-K338 HydrophobicContact CB-CD 3.98Å; H333-K338 HydrophobicContact CB-CG 4.46Å; H333-K338 PolarHBondContact CD2-NZ 3.41Å; H333-K338 VanDerWaalsContact CD2-NZ 3.29Å; H333-K338 PolarHBondContact CE1-NZ 3.15Å; H333-K338 VanDerWaalsContact CE1-NZ 3.31Å; H333-K338 PolarHBondContact NE2-NZ 2.89Å; H333-K338 VanDerWaalsContact O-CB 3.29Å; H333-K338 WeakPolarHBondContact O-CB 3.22Å; H333-K338 PolarHBondContact O-N 2.8Å; H333-P340 HydrophobicContact CB-CB 4.12Å; H333-P340 HydrophobicContact CB-CG 3.85Å; H333-E463 IonicContact CE1-OE2 3.9Å; H333-E463 PolarHBondContact CE1-OE2 2.87Å; H333-E463 IonicContact ND1-OE1 2.9Å; H333-E463 IonicContact ND1-OE2 3.67Å; H333-E463 PolarHBondContact ND1-OE2 2.88Å
334I92.5Very high88.5Confident2 Ų230.2 Ų30.21%0.0117%0.169CC..Hα-helixtrans-65.6-51.5172.8-61.9176.5000111K245 L247 F269 F300 Q307 V329 P330 H331 H336 G337 P340K245-I334 PolarHBondContact NZ-O 2.87Å; L247-I334 HydrophobicContact CD1-CG2 3.27Å; L247-I334 HydrophobicContact CD2-CG2 4.28Å; L247-I334 HydrophobicContact CG-CG2 4.43Å; F269-I334 HydrophobicContact CB-CD1 4.09Å; F269-I334 HydrophobicContact CB-CG1 3.95Å; F269-I334 HydrophobicContact CD1-CD1 3.89Å; F269-I334 HydrophobicContact CG-CD1 4.08Å; F269-I334 HydrophobicContact CG-CG1 4.45Å; F300-I334 HydrophobicContact CD1-CG2 4.22Å; F300-I334 HydrophobicContact CD2-CG2 3.94Å; F300-I334 HydrophobicContact CE1-CB 4.49Å; F300-I334 HydrophobicContact CE1-CG2 4.02Å; F300-I334 HydrophobicContact CE2-CB 4.16Å; F300-I334 HydrophobicContact CE2-CD1 3.75Å; F300-I334 HydrophobicContact CE2-CG2 3.72Å; F300-I334 HydrophobicContact CG-CG2 4.19Å; F300-I334 HydrophobicContact CZ-CB 3.96Å; F300-I334 HydrophobicContact CZ-CD1 4.26Å; F300-I334 HydrophobicContact CZ-CG2 3.75Å; Q307-I334 HydrophobicContact CB-CD1 3.97Å; V329-I334 HydrophobicContact CB-CD1 4.02Å; V329-I334 HydrophobicContact CG1-CD1 3.78Å; V329-I334 HydrophobicContact CG1-CG1 3.85Å; P330-I334 PolarHBondContact O-N 3.4Å; H331-I334 PolarHBondContact O-N 2.88Å; I334-H336 PolarHBondContact O-N 2.72Å; I334-G337 PolarHBondContact O-N 3.05Å; I334-G337 VanDerWaalsContact O-N 3.09Å; I334-P340 HydrophobicContact CG1-CG 3.92Å
335W93.8Very high88.8Confident0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-64.9-42.6-170.4-169.7-118.7000113.4R155 Q157 G158 L159 M235 A243 K245 F300 G302 H331 G337R155-W335 PolarHBondContact O-NE1 3.05Å; Q157-W335 VanDerWaalsContact O-CD1 3.29Å; Q157-W335 PolarHBondContact O-NE1 3.14Å; G158-W335 WeakPolarHBondContact CA-O 3.42Å; L159-W335 PolarHBondContact N-O 2.84Å; L159-W335 VanDerWaalsContact N-O 3.14Å; M235-W335 HydrophobicContact CE-CH2 3.2Å; M235-W335 HydrophobicContact CE-CZ2 3.88Å; M235-W335 HydrophobicContact CE-CZ3 3.77Å; M235-W335 HydrophobicContact SD-CH2 4.45Å; A243-W335 HydrophobicContact CB-CH2 3.57Å; A243-W335 HydrophobicContact CB-CZ2 3.64Å; A243-W335 WeakPolarHBondContact O-CH2 3.27Å; K245-W335 HydrophobicContact CD-CE3 4.35Å; K245-W335 HydrophobicContact CD-CZ3 4.34Å; K245-W335 HydrophobicContact CG-CE3 4.3Å; K245-W335 HydrophobicContact CG-CZ3 3.91Å; K245-W335 PolarHBondContact NZ-O 2.69Å; F300-W335 AromaticContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CE3 3.76Å; F300-W335 HydrophobicContact CD1-CZ3 4.1Å; F300-W335 HydrophobicContact CE1-CB 4.46Å; F300-W335 AromaticContact CE1-CE3 3.8Å; F300-W335 HydrophobicContact CE1-CE3 3.8Å; G302-W335 VanDerWaalsContact CA-CH2 3.4Å; G302-W335 VanDerWaalsContact CA-CZ3 3.44Å; H331-W335 AromaticContact CE1-CD1 3.81Å; H331-W335 AromaticContact CE1-CG 3.61Å; H331-W335 WeakPolarHBondContact O-CB 3.41Å; H331-W335 PolarHBondContact O-N 3.01Å; W335-G337 PolarHBondContact O-N 2.69Å
336H93.1Very high88.8Confident48 Ų4824.7 Ų24.722%0.22213%0.13CC..THydrogen-bonded Turntrans-834.3175.9-63.2173.7000113.7L153 S154 Q157 L159 L332 I334L153-H336 WeakPolarHBondContact CB-NE2 3.44Å; L153-H336 HydrophobicContact CD1-CB 4.45Å; L153-H336 PolarHBondContact O-CE1 2.87Å; S154-H336 PolarHBondContact O-NE2 3.42Å; Q157-H336 PolarHBondContact O-CD2 2.87Å; Q157-H336 PolarHBondContact O-NE2 2.87Å; L159-H336 WeakPolarHBondContact CB-O 3.42Å; L332-H336 WeakPolarHBondContact O-CB 3.36Å; L332-H336 PolarHBondContact O-N 2.83Å; I334-H336 PolarHBondContact O-N 2.72Å
337G89.2Confident88.6Confident8 Ų828.2 Ų28.28%0.08214%0.139CC..THydrogen-bonded Turntrans83.722.5167.500000115.5H333 I334 W335 C339H333-G337 PolarHBondContact O-N 2.89Å; I334-G337 PolarHBondContact O-N 3.05Å; I334-G337 VanDerWaalsContact O-N 3.09Å; W335-G337 PolarHBondContact O-N 2.69Å; G337-C339 PolarHBondContact O-N 3.25Å
338K87.1Confident88.4Confident62 Ų6229.6 Ų29.627%0.2714%0.142SC..  trans-63.7-6.7178.6-66.7-164.1179.9-1770115.3L147 H333 P340L147-K338 HydrophobicContact CD1-CB 4.4Å; L147-K338 HydrophobicContact CD1-CG 4.21Å; H333-K338 HydrophobicContact CB-CB 4.36Å; H333-K338 HydrophobicContact CB-CD 3.98Å; H333-K338 HydrophobicContact CB-CG 4.46Å; H333-K338 PolarHBondContact CD2-NZ 3.41Å; H333-K338 VanDerWaalsContact CD2-NZ 3.29Å; H333-K338 PolarHBondContact CE1-NZ 3.15Å; H333-K338 VanDerWaalsContact CE1-NZ 3.31Å; H333-K338 PolarHBondContact NE2-NZ 2.89Å; H333-K338 VanDerWaalsContact O-CB 3.29Å; H333-K338 WeakPolarHBondContact O-CB 3.22Å; H333-K338 PolarHBondContact O-N 2.8Å; K338-P340 VanDerWaalsContact C-N 3.33Å
339C89.7Confident88.1Confident13 Ų1329.4 Ų29.49%0.08814%0.137CC..  trans51.442.7-174.2-61.50000114.2L270 W279 G337L270-C339 HydrophobicContact CD2-CB 3.49Å; L270-C339 VanDerWaalsContact CD2-CB 3.49Å; W279-C339 HydrophobicContact CD2-CB 4.41Å; W279-C339 HydrophobicContact CE3-CB 3.53Å; W279-C339 HydrophobicContact CH2-CB 4.2Å; W279-C339 HydrophobicContact CZ3-CB 3.41Å; W279-C339 VanDerWaalsContact CZ3-CB 3.41Å; W279-C339 WeakPolarHBondContact CZ3-O 3.2Å; G337-C339 PolarHBondContact O-N 3.25Å
340P90.4Very high87.3Confident4 Ų433.6 Ų33.63%0.02617%0.172CC..  trans-65.8155.6-173.832.9-38.1000111.6F269 V329 H333 I334 K338F269-P340 HydrophobicContact CB-CG 4.34Å; F269-P340 PolarHBondContact N-O 2.93Å; V329-P340 HydrophobicContact CG1-CB 4.19Å; V329-P340 HydrophobicContact CG1-CG 3.8Å; H333-P340 HydrophobicContact CB-CB 4.12Å; H333-P340 HydrophobicContact CB-CG 3.85Å; I334-P340 HydrophobicContact CG1-CG 3.92Å; K338-P340 VanDerWaalsContact C-N 3.33Å
341F90.9Very high86Confident10 Ų1034.8 Ų34.84%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-125.2172173.473.2-81.2000112.8R266 I267 Y268 E462 E463 N465R266-F341 HydrophobicContact CB-CD2 3.84Å; R266-F341 HydrophobicContact CB-CE2 4.25Å; R266-F341 HydrophobicContact CG-CD2 3.92Å; R266-F341 HydrophobicContact CG-CE2 3.83Å; I267-F341 CarbonylContact O-C 3.48Å; I267-F341 WeakPolarHBondContact O-CA 3.46Å; I267-F341 WeakPolarHBondContact O-CB 3.48Å; Y268-F341 HydrophobicContact CD1-CB 3.7Å; Y268-F341 HydrophobicContact CD1-CD1 4.36Å; Y268-F341 HydrophobicContact CD1-CG 4.35Å; Y268-F341 HydrophobicContact CD2-CB 3.77Å; Y268-F341 HydrophobicContact CD2-CG 4.44Å; Y268-F341 HydrophobicContact CE1-CB 3.87Å; Y268-F341 AromaticContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CD1 3.75Å; Y268-F341 HydrophobicContact CE1-CG 4.01Å; Y268-F341 HydrophobicContact CE2-CB 3.94Å; Y268-F341 HydrophobicContact CE2-CG 4.11Å; Y268-F341 HydrophobicContact CG-CB 3.64Å; Y268-F341 AromaticContact CZ-CD1 3.86Å; Y268-F341 AromaticContact CZ-CG 3.88Å; F341-E462 WeakPolarHBondContact CE1-O 3.36Å; F341-E462 WeakPolarHBondContact CZ-O 3.21Å; F341-E463 WeakPolarHBondContact CE1-O 3.43Å; F341-N465 HydrophobicContact CE1-CB 3.86Å; F341-N465 HydrophobicContact CZ-CB 4.23Å; F341-N465 WeakPolarHBondContact CZ-OD1 3.42Å
342R87.9Confident84.5Confident31 Ų3139.7 Ų39.712%0.11721%0.211CC..EExtended strand (participates in β ladder)trans-132140.4170.9-74.1-60.7177.4-107.219.9110.5R266 I267 L309 Q327 L328 V329 F344 E463R266-R342 CarbonylContact C-O 3.54Å; R266-R342 WeakPolarHBondContact CA-O 3.45Å; I267-R342 PolarHBondContact N-O 2.85Å; I267-R342 PolarHBondContact O-N 3.13Å; L309-R342 HydrophobicContact CD2-CB 3.93Å; Q327-R342 HydrophobicContact CB-CG 4.16Å; Q327-R342 VanDerWaalsContact OE1-CD 3.29Å; L328-R342 PolarHBondContact O-NE 2.77Å; L328-R342 PolarHBondContact O-NH2 3.36Å; V329-R342 HydrophobicContact CG2-CG 3.57Å; R342-F344 HydrophobicContact CB-CE2 4.26Å; R342-E463 IonicContact CZ-OE1 2.89Å; R342-E463 IonicContact NH1-OE1 2.89Å; R342-E463 PolarHBondContact NH1-OE1 3.05Å; R342-E463 IonicContact NH2-OE1 3.55Å; R342-E463 PolarHBondContact NH2-OE1 2.7Å
343S87.7Confident82.8Confident19 Ų1946.1 Ų46.113%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-111.6132.1-173.3-178.40000110.6Q264 L265 Q327Q264-S343 WeakPolarHBondContact CG-OG 3.36Å; Q264-S343 PolarHBondContact NE2-OG 2.76Å; L265-S343 CarbonylContact O-C 3.59Å; L265-S343 WeakPolarHBondContact O-CA 3.29Å; L265-S343 PolarHBondContact O-OG 3.46Å; Q327-S343 PolarHBondContact NE2-O 3.09Å; Q327-S343 PolarHBondContact OE1-O 3.48Å
344F86.3Confident81.1Confident0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-125132.1172.2-71.4-99.2000109.5L265 L309 D322 Q327 R342 F346 M368L265-F344 HydrophobicContact CB-CB 4.45Å; L265-F344 WeakPolarHBondContact CB-O 3.45Å; L265-F344 HydrophobicContact CD2-CB 4.43Å; L265-F344 PolarHBondContact N-O 2.95Å; L265-F344 PolarHBondContact O-N 3.13Å; L309-F344 HydrophobicContact CD2-CE2 3.73Å; L309-F344 HydrophobicContact CG-CE2 4.01Å; L309-F344 HydrophobicContact CG-CZ 4.37Å; D322-F344 VanDerWaalsContact OD2-CA 3.27Å; D322-F344 WeakPolarHBondContact OD2-CA 3.35Å; Q327-F344 HydrophobicContact CB-CE2 4.36Å; Q327-F344 HydrophobicContact CB-CZ 3.98Å; Q327-F344 VanDerWaalsContact CD-CZ 3.48Å; Q327-F344 HydrophobicContact CG-CE1 4.09Å; Q327-F344 HydrophobicContact CG-CE2 4.11Å; Q327-F344 HydrophobicContact CG-CZ 3.56Å; R342-F344 HydrophobicContact CB-CE2 4.26Å; F344-F346 HydrophobicContact CB-CE2 3.7Å; F344-F346 HydrophobicContact CB-CZ 3.68Å; F344-M368 HydrophobicContact CD1-CE 3.87Å; F344-M368 HydrophobicContact CD2-CE 3.7Å; F344-M368 HydrophobicContact CD2-SD 4.42Å; F344-M368 HydrophobicContact CE1-CE 3.75Å; F344-M368 HydrophobicContact CE2-CE 3.59Å; F344-M368 HydrophobicContact CG-CE 3.84Å; F344-M368 HydrophobicContact CZ-CE 3.59Å
345C86.8Confident79.4Confident1 Ų158.6 Ų58.61%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-105.8131.4179.5-77.90000111.1L263 V321 D322 R407L263-C345 WeakPolarHBondContact O-CA 3.29Å; V321-C345 HydrophobicContact CB-CB 4.04Å; V321-C345 HydrophobicContact CG2-CB 4.4Å; V321-C345 PolarHBondContact N-O 2.9Å; D322-C345 PolarHBondContact OD2-N 3.41Å; C345-R407 PolarHBondContact SG-NH1 3.19Å
346F85.3Confident77.1Confident1 Ų166.2 Ų66.20%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-119.9137.4-179.5-56.7-78.4000111.2H262 L263 L265 L311 I314 W318 E319 N320 F344 I364 V366 F385H262-F346 WeakPolarHBondContact CA-O 3.43Å; L263-F346 PolarHBondContact N-O 2.9Å; L263-F346 PolarHBondContact O-N 3.45Å; L265-F346 HydrophobicContact CB-CD2 4.4Å; L265-F346 HydrophobicContact CB-CE2 3.85Å; L265-F346 HydrophobicContact CD2-CE2 4.14Å; L311-F346 HydrophobicContact CD1-CE1 4.18Å; L311-F346 HydrophobicContact CD1-CZ 4.3Å; L311-F346 HydrophobicContact CD2-CE1 4.31Å; I314-F346 HydrophobicContact CD1-CD1 3.95Å; I314-F346 HydrophobicContact CD1-CE1 3.85Å; I314-F346 HydrophobicContact CG1-CD1 4.39Å; I314-F346 HydrophobicContact CG1-CE1 4.06Å; W318-F346 HydrophobicContact CE3-CB 4.16Å; E319-F346 CarbonylContact O-C 3.46Å; E319-F346 VanDerWaalsContact O-CA 3.28Å; E319-F346 WeakPolarHBondContact O-CA 3.34Å; N320-F346 WeakPolarHBondContact OD1-CE1 3.3Å; F344-F346 HydrophobicContact CB-CE2 3.7Å; F344-F346 HydrophobicContact CB-CZ 3.68Å; F346-I364 HydrophobicContact CB-CD1 3.44Å; F346-I364 VanDerWaalsContact CB-CD1 3.44Å; F346-I364 HydrophobicContact CD1-CD1 3.91Å; F346-I364 HydrophobicContact CD2-CD1 3.95Å; F346-I364 HydrophobicContact CG-CD1 3.47Å; F346-I364 VanDerWaalsContact CG-CD1 3.47Å; F346-V366 HydrophobicContact CE1-CG2 4.15Å; F346-V366 HydrophobicContact CZ-CG1 4.26Å; F346-V366 HydrophobicContact CZ-CG2 4.14Å; F346-F385 HydrophobicContact CD2-CZ 4.41Å; F346-F385 AromaticContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CZ-CZ 4.37Å
347R84.6Confident74.9Confident106 Ų10667.5 Ų67.540%0.436%0.357SS..EExtended strand (participates in β ladder)trans-117139.4178.9171.2168.172.1-1622.5109.7H262 W318 E319 V321 K349H262-R347 WeakPolarHBondContact NE2-CD 3.32Å; W318-R347 CarbonylContact C-O 3.53Å; W318-R347 WeakPolarHBondContact CA-O 3.23Å; E319-R347 HydrophobicContact CG-CB 4.21Å; E319-R347 PolarHBondContact N-O 3.32Å; E319-R347 PolarHBondContact O-N 2.88Å; E319-R347 IonicContact OE1-CZ 3.17Å; E319-R347 IonicContact OE1-NE 2.76Å; E319-R347 PolarHBondContact OE1-NE 2.85Å; E319-R347 IonicContact OE1-NH2 3.75Å; E319-R347 PolarHBondContact OE1-NH2 3.03Å; V321-R347 HydrophobicContact CG2-CB 3.5Å; V321-R347 VanDerWaalsContact CG2-CB 3.5Å; R347-K349 PolarHBondContact O-N 3.43Å
348R81.2Confident72.9Confident69 Ų6972.7 Ų72.726%0.2639%0.392SS..EExtended strand (participates in β ladder)trans-70.2125.7164.6-170-179.3-1681435.8108.2G317 W318 L360 N362 E389G317-R348 CarbonylContact O-C 3.57Å; G317-R348 WeakPolarHBondContact O-CA 3.49Å; W318-R348 HydrophobicContact CE3-CB 4.41Å; W318-R348 HydrophobicContact CH2-CB 4.45Å; W318-R348 HydrophobicContact CZ3-CB 4.31Å; R348-L360 PolarHBondContact NH2-O 2.68Å; R348-N362 PolarHBondContact NH1-OD1 3.33Å; R348-N362 PolarHBondContact NH2-OD1 3.38Å; R348-E389 IonicContact NH1-OE2 3.9Å
349K80.8Confident71.1Confident104 Ų10473.5 Ų73.545%0.45241%0.411SS..PPolyproline II helixtrans-58140.9175.3-70.2-179174178.70109.7G317 W318 E319 R347G317-K349 PolarHBondContact O-N 2.91Å; W318-K349 WeakPolarHBondContact O-CE 3.43Å; E319-K349 HydrophobicContact CB-CG 4.24Å; E319-K349 HydrophobicContact CG-CG 3.93Å; E319-K349 WeakPolarHBondContact OE2-CE 3.4Å; R347-K349 PolarHBondContact O-N 3.43Å
350A70.4Confident69.6Low89 Ų8975.5 Ų75.574%0.73642%0.42SS*.PPolyproline II helixtrans-60.5140.3168.700000109.2N352A350-N352 PolarHBondContact O-N 2.8Å
351A61.7Low68.3Low65 Ų6579.2 Ų79.254%0.53744%0.443SS..PPolyproline II helixtrans-67.3119.6172.900000109.3
352N56.7Low67.3Low104 Ų10481.3 Ų81.356%0.55645%0.454SS*.PPolyproline II helixtrans-67.5133.5165.1-67-38.7000108.1A350 N354 E355A350-N352 PolarHBondContact O-N 2.8Å; N352-N354 PolarHBondContact O-N 3.33Å; N352-E355 PolarHBondContact ND2-OE2 3.46Å; N352-E355 PolarHBondContact O-N 2.88Å
353E54.6Low66.9Low202 Ų20282.1 Ų82.194%0.94446%0.46SS*.THydrogen-bonded Turntrans-65.74.7-175.3-58-177.5139.200114.9
354N52.5Low66.7Low164 Ų16481.3 Ų81.388%0.87745%0.454SS*.THydrogen-bonded Turntrans-128.36-172.2-94-19.6000114.6N352N352-N354 PolarHBondContact O-N 3.33Å
355E56.3Low66.8Low131 Ų13182.7 Ų82.761%0.61246%0.461SS*.SBendtrans-117.4136.1177.1-69.8177.9120.700110.9N352 C357N352-E355 PolarHBondContact ND2-OE2 3.46Å; N352-E355 PolarHBondContact O-N 2.88Å; E355-C357 PolarHBondContact O-N 2.89Å; E355-C357 PolarHBondContact O-SG 2.89Å
356D45.2Very low67Low159 Ų15982.6 Ų82.685%0.8546%0.46SS*.  trans-63.197.8-176.1-82.6-52.4000111.5S358D356-S358 PolarHBondContact O-N 2.82Å
357C47.3Very low67.3Low75 Ų7583.5 Ų83.551%0.50747%0.466SS..G310 helixtrans-6917.6-172.4-700000115.5E355 L360E355-C357 PolarHBondContact O-N 2.89Å; E355-C357 PolarHBondContact O-SG 2.89Å; C357-L360 HydrophobicContact CB-CD1 4.37Å
358S48Very low67.7Low117 Ų11778.5 Ų78.582%0.81845%0.447SS*.G310 helixtrans-79.5-13.4-175.661.60000114.7D356D356-S358 PolarHBondContact O-N 2.82Å
359A49.9Very low68.2Low79 Ų7976.6 Ų76.665%0.65344%0.441SS*.G310 helixtrans-105.4-2.8-17500000115.3T361A359-T361 PolarHBondContact O-N 2.9Å
360L58.3Low68.8Low56 Ų5671.7 Ų71.729%0.29342%0.42SS..  trans-78.688.3-174-67.8170.5000112.1G317 R348 C357G317-L360 VanDerWaalsContact CA-CD2 3.44Å; R348-L360 PolarHBondContact NH2-O 2.68Å; C357-L360 HydrophobicContact CB-CD1 4.37Å
361T62.8Low69.9Low81 Ų8168.3 Ų68.350%0.49739%0.389SS..  trans-60.6137.2177.351.30000112.6A359 E363A359-T361 PolarHBondContact O-N 2.9Å; T361-E363 PolarHBondContact O-N 2.83Å; T361-E363 PolarHBondContact OG1-O 3.02Å
362N68.4Low71.4Confident54 Ų5465.6 Ų65.629%0.28937%0.365SS..SBendtrans-7023.3169.7-63.6-14.7000112.9R348 S388 E389 E390R348-N362 PolarHBondContact NH1-OD1 3.33Å; R348-N362 PolarHBondContact NH2-OD1 3.38Å; N362-S388 WeakPolarHBondContact O-CA 3.4Å; N362-E389 HydrophobicContact CB-CB 4.25Å; N362-E389 PolarHBondContact O-N 3.46Å; N362-E390 PolarHBondContact ND2-OE1 3.19Å
363E80.1Confident72.8Confident49 Ų4965.4 Ų65.423%0.22936%0.364CS..EExtended strand (participates in β ladder)trans-124.6130.8-176.6179172.5-107.800109.2W318 T361 I365 Q386 A387W318-E363 PolarHBondContact NE1-O 3.26Å; T361-E363 PolarHBondContact O-N 2.83Å; T361-E363 PolarHBondContact OG1-O 3.02Å; E363-I365 HydrophobicContact CG-CG1 4.37Å; E363-Q386 VanDerWaalsContact CD-CG 3.42Å; E363-Q386 HydrophobicContact CG-CG 3.99Å; E363-Q386 WeakPolarHBondContact OE1-CG 3.36Å; E363-Q386 PolarHBondContact OE1-NE2 3.12Å; E363-Q386 PolarHBondContact OE2-NE2 3.46Å; E363-A387 WeakPolarHBondContact CA-O 3.34Å
364I84.7Confident74Confident1 Ų158.4 Ų58.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-98.2130.1169.4-162.7-177.3000109.5L263 I314 S315 W318 F346 V366 F385 Q386 A387L263-I364 HydrophobicContact CD1-CB 4.35Å; L263-I364 HydrophobicContact CD1-CG2 3.63Å; I314-I364 HydrophobicContact CG2-CD1 4.12Å; I314-I364 HydrophobicContact CG2-CG1 4.16Å; S315-I364 WeakPolarHBondContact OG-CA 3.3Å; W318-I364 HydrophobicContact CB-CD1 4.15Å; W318-I364 HydrophobicContact CB-CG1 4.08Å; W318-I364 HydrophobicContact CD2-CB 3.88Å; W318-I364 HydrophobicContact CD2-CD1 3.91Å; W318-I364 HydrophobicContact CD2-CG1 3.83Å; W318-I364 HydrophobicContact CE3-CB 4.41Å; W318-I364 HydrophobicContact CE3-CD1 3.89Å; W318-I364 HydrophobicContact CE3-CG1 4.31Å; W318-I364 HydrophobicContact CG-CB 4.13Å; W318-I364 HydrophobicContact CG-CD1 4.04Å; W318-I364 HydrophobicContact CG-CG1 3.71Å; W318-I364 HydrophobicContact CZ2-CB 4.22Å; F346-I364 HydrophobicContact CB-CD1 3.44Å; F346-I364 VanDerWaalsContact CB-CD1 3.44Å; F346-I364 HydrophobicContact CD1-CD1 3.91Å; F346-I364 HydrophobicContact CD2-CD1 3.95Å; F346-I364 HydrophobicContact CG-CD1 3.47Å; F346-I364 VanDerWaalsContact CG-CD1 3.47Å; I364-V366 HydrophobicContact CD1-CG2 3.75Å; I364-V366 HydrophobicContact CG1-CG2 3.87Å; I364-F385 HydrophobicContact CG2-CE2 3.97Å; I364-Q386 WeakPolarHBondContact O-CA 3.37Å; I364-A387 HydrophobicContact CG2-CB 4.06Å; I364-A387 PolarHBondContact N-O 3.42Å; I364-A387 PolarHBondContact O-N 3.16Å
365I88.1Confident75.6Confident29 Ų2951.9 Ų51.915%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-116127.2168.4-58.3175.9000107.4Y313 I314 S315 E363 R384 F385 Q386Y313-I365 HydrophobicContact CE1-CG2 4.37Å; I314-I365 CarbonylContact C-O 3.57Å; I314-I365 WeakPolarHBondContact CA-O 3.27Å; S315-I365 PolarHBondContact N-O 3.01Å; S315-I365 PolarHBondContact OG-N 3.03Å; E363-I365 HydrophobicContact CG-CG1 4.37Å; I365-R384 HydrophobicContact CG2-CG 4.47Å; I365-F385 WeakPolarHBondContact CA-O 3.39Å; I365-Q386 HydrophobicContact CG1-CG 4.14Å
366V89.4Confident76.7Confident0 Ų051.4 Ų51.40%031%0.308CS..EExtended strand (participates in β ladder)trans-132.6140.7179.5169.80000110L311 Y313 I314 F346 I364 M368 R384 F385L311-V366 HydrophobicContact CD1-CG1 3.48Å; L311-V366 VanDerWaalsContact CD1-CG1 3.48Å; Y313-V366 VanDerWaalsContact O-CA 3.31Å; Y313-V366 WeakPolarHBondContact O-CA 3.45Å; Y313-V366 WeakPolarHBondContact O-CG1 3.4Å; I314-V366 HydrophobicContact CB-CG2 4.41Å; I314-V366 HydrophobicContact CG1-CG2 4.28Å; I314-V366 HydrophobicContact CG2-CG2 4.09Å; F346-V366 HydrophobicContact CE1-CG2 4.15Å; F346-V366 HydrophobicContact CZ-CG1 4.26Å; F346-V366 HydrophobicContact CZ-CG2 4.14Å; I364-V366 HydrophobicContact CD1-CG2 3.75Å; I364-V366 HydrophobicContact CG1-CG2 3.87Å; V366-M368 HydrophobicContact CG1-CG 3.61Å; V366-M368 HydrophobicContact CG1-SD 4.23Å; V366-R384 WeakPolarHBondContact O-CA 3.42Å; V366-F385 HydrophobicContact CB-CD1 3.88Å; V366-F385 HydrophobicContact CB-CE1 3.28Å; V366-F385 HydrophobicContact CB-CE2 4.02Å; V366-F385 HydrophobicContact CB-CG 4.47Å; V366-F385 HydrophobicContact CB-CZ 3.37Å; V366-F385 HydrophobicContact CG1-CD1 4.19Å; V366-F385 HydrophobicContact CG1-CE1 3.43Å; V366-F385 VanDerWaalsContact CG1-CE1 3.43Å; V366-F385 HydrophobicContact CG1-CZ 3.87Å; V366-F385 HydrophobicContact CG2-CE1 3.92Å; V366-F385 HydrophobicContact CG2-CE2 4.02Å; V366-F385 HydrophobicContact CG2-CZ 3.45Å; V366-F385 VanDerWaalsContact CG2-CZ 3.45Å; V366-F385 PolarHBondContact N-O 3.09Å; V366-F385 VanDerWaalsContact N-O 3.09Å; V366-F385 PolarHBondContact O-N 3.34Å
367T92.3Very high78Confident20 Ų2050 Ų5012%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-114.7125.9170.7-490000109.2K312 Y313 I382 L383K312-T367 PolarHBondContact N-O 3.18Å; Y313-T367 PolarHBondContact N-O 2.89Å; Y313-T367 PolarHBondContact O-N 2.99Å; T367-I382 HydrophobicContact CG2-CG2 3.5Å; T367-I382 VanDerWaalsContact CG2-CG2 3.5Å; T367-L383 CarbonylContact C-O 3.56Å; T367-L383 WeakPolarHBondContact CA-O 3.36Å
368M92.6Very high78.9Confident0 Ų054 Ų540%032%0.315CS..EExtended strand (participates in β ladder)trans-125.3140.9176.5-46.1-165.575.700109.9L265 I267 L309 K310 L311 F344 V366 L383 F385L265-M368 HydrophobicContact CD2-SD 3.76Å; I267-M368 HydrophobicContact CD1-SD 3.43Å; I267-M368 WeakPolarHBondContact CD1-SD 3.19Å; L309-M368 HydrophobicContact CD1-CB 3.85Å; L309-M368 HydrophobicContact CD1-CE 4.26Å; L309-M368 HydrophobicContact CD1-SD 4.37Å; L309-M368 HydrophobicContact CG-CE 4.14Å; K310-M368 CarbonylContact O-C 3.52Å; K310-M368 WeakPolarHBondContact O-CA 3.4Å; L311-M368 HydrophobicContact CB-CE 3.94Å; L311-M368 HydrophobicContact CD1-CE 4.15Å; L311-M368 HydrophobicContact CD1-CG 4.27Å; F344-M368 HydrophobicContact CD1-CE 3.87Å; F344-M368 HydrophobicContact CD2-CE 3.7Å; F344-M368 HydrophobicContact CD2-SD 4.42Å; F344-M368 HydrophobicContact CE1-CE 3.75Å; F344-M368 HydrophobicContact CE2-CE 3.59Å; F344-M368 HydrophobicContact CG-CE 3.84Å; F344-M368 HydrophobicContact CZ-CE 3.59Å; V366-M368 HydrophobicContact CG1-CG 3.61Å; V366-M368 HydrophobicContact CG1-SD 4.23Å; M368-L383 HydrophobicContact CB-CB 4.34Å; M368-L383 PolarHBondContact N-O 3.28Å; M368-L383 PolarHBondContact O-N 3.48Å; M368-F385 HydrophobicContact SD-CE1 4.45Å
369H93.3Very high79.9Confident30 Ų3056.6 Ų56.614%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-111.1130.6180-73.6-158.2000108.8K310 K312 M380 E381K310-H369 PolarHBondContact N-O 3.32Å; K310-H369 PolarHBondContact O-N 3.18Å; K312-H369 HydrophobicContact CG-CB 4.03Å; H369-M380 HydrophobicContact CB-CG 3.75Å; H369-M380 HydrophobicContact CB-SD 3.68Å; H369-M380 VanDerWaalsContact ND1-CE 3.29Å; H369-M380 WeakPolarHBondContact ND1-CE 3.38Å; H369-M380 PolarHBondContact ND1-SD 3.2Å; H369-E381 CarbonylContact C-O 3.56Å; H369-E381 WeakPolarHBondContact CA-O 3.45Å
370T92.7Very high81.2Confident1 Ų156.2 Ų56.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-126.7135.5177.7-172.70000112.4L249 Q307 C308 M380 E381 L383L249-T370 HydrophobicContact CD1-CG2 3.71Å; Q307-T370 VanDerWaalsContact CG-OG1 3.3Å; Q307-T370 WeakPolarHBondContact CG-OG1 3.22Å; Q307-T370 PolarHBondContact NE2-OG1 2.74Å; C308-T370 VanDerWaalsContact O-CA 3.3Å; C308-T370 WeakPolarHBondContact O-CA 3.38Å; C308-T370 PolarHBondContact O-OG1 3.2Å; T370-M380 WeakPolarHBondContact O-CA 3.34Å; T370-E381 HydrophobicContact CG2-CB 3.76Å; T370-E381 PolarHBondContact N-O 3.28Å; T370-E381 PolarHBondContact O-N 3.18Å; T370-L383 HydrophobicContact CG2-CD1 4.38Å
371F92.9Very high82.4Confident18 Ų1856.5 Ų56.58%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-151.7151.3-17351.3-93.4000110.7Q307 C308 K310 E376 Y379 M380Q307-F371 CarbonylContact C-O 3.57Å; Q307-F371 WeakPolarHBondContact CA-O 3.47Å; Q307-F371 WeakPolarHBondContact CG-O 3.29Å; C308-F371 HydrophobicContact CB-CD2 4.32Å; C308-F371 HydrophobicContact CB-CE1 4.3Å; C308-F371 HydrophobicContact CB-CE2 3.56Å; C308-F371 HydrophobicContact CB-CZ 3.55Å; C308-F371 PolarHBondContact N-O 2.73Å; C308-F371 PolarHBondContact O-N 2.83Å; C308-F371 VanDerWaalsContact O-N 3.16Å; C308-F371 VanDerWaalsContact SG-CZ 3.57Å; K310-F371 HydrophobicContact CB-CE1 4.32Å; F371-E376 HydrophobicContact CD2-CB 4.45Å; F371-E376 HydrophobicContact CD2-CG 3.6Å; F371-E376 HydrophobicContact CE1-CG 4.39Å; F371-E376 HydrophobicContact CE2-CB 4.4Å; F371-E376 HydrophobicContact CE2-CG 3.22Å; F371-E376 HydrophobicContact CG-CG 4.34Å; F371-E376 HydrophobicContact CZ-CG 3.66Å; F371-Y379 WeakPolarHBondContact CB-O 3.49Å; F371-M380 HydrophobicContact CB-CB 4.45Å; F371-M380 HydrophobicContact CD1-CG 4.18Å; F371-M380 HydrophobicContact CD1-SD 4.32Å
372Q92.4Very high83.3Confident8 Ų856.9 Ų56.94%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-78157.7167.4-65.7-167.6-79.400111.1F300 S301 R304 G374 L375F300-Q372 HydrophobicContact CD2-CG 4.01Å; F300-Q372 HydrophobicContact CE2-CG 4.01Å; F300-Q372 VanDerWaalsContact CE2-NE2 3.26Å; F300-Q372 VanDerWaalsContact CZ-NE2 3.31Å; S301-Q372 PolarHBondContact O-NE2 3.1Å; R304-Q372 HydrophobicContact CB-CB 4.27Å; Q372-G374 PolarHBondContact O-N 2.89Å; Q372-L375 HydrophobicContact CB-CD1 4.18Å; Q372-L375 WeakPolarHBondContact O-CB 3.49Å; Q372-L375 PolarHBondContact O-N 2.87Å
373D86.1Confident84Confident100 Ų10054.6 Ų54.654%0.53528%0.279SS..THydrogen-bonded Turntrans-44.7134170.4-17928000113.1R304 D306 L375R304-D373 PolarHBondContact NH1-O 2.81Å; D306-D373 PolarHBondContact O-N 3.25Å; D373-L375 VanDerWaalsContact C-N 3.29Å; D373-L375 PolarHBondContact O-N 3.46Å
374G81.8Confident84.1Confident55 Ų5560 Ų6057%0.56730%0.297SS*.THydrogen-bonded Turntrans69.310.2-175.400000116.4Q372Q372-G374 PolarHBondContact O-N 2.89Å
375L84.9Confident83.9Confident26 Ų2660.4 Ų60.414%0.13630%0.299CS..  trans-112.7-2.1178.7-63.5-175.1000115.9R304 Q372 D373 T377 K378 Y379R304-L375 VanDerWaalsContact CZ-CD2 3.45Å; Q372-L375 HydrophobicContact CB-CD1 4.18Å; Q372-L375 WeakPolarHBondContact O-CB 3.49Å; Q372-L375 PolarHBondContact O-N 2.87Å; D373-L375 VanDerWaalsContact C-N 3.29Å; D373-L375 PolarHBondContact O-N 3.46Å; L375-T377 PolarHBondContact O-N 3.1Å; L375-K378 PolarHBondContact O-N 3.24Å; L375-Y379 HydrophobicContact CD2-CD2 4.24Å; L375-Y379 PolarHBondContact O-N 2.72Å
376E79.8Confident83.6Confident121 Ų12163.8 Ų63.857%0.56531%0.314SS*.THydrogen-bonded Turntrans-34.8-40.6-178.2-80-179.2-14200116.7F371F371-E376 HydrophobicContact CD2-CB 4.45Å; F371-E376 HydrophobicContact CD2-CG 3.6Å; F371-E376 HydrophobicContact CE1-CG 4.39Å; F371-E376 HydrophobicContact CE2-CB 4.4Å; F371-E376 HydrophobicContact CE2-CG 3.22Å; F371-E376 HydrophobicContact CG-CG 4.34Å; F371-E376 HydrophobicContact CZ-CG 3.66Å
377T72Confident82.9Confident129 Ų12964 Ų6479%0.79132%0.315SS*.THydrogen-bonded Turntrans-108.76.6-172.5540000113.9L375L375-T377 PolarHBondContact O-N 3.1Å
378K65.9Low81.8Confident161 Ų16164 Ų6470%0.732%0.316SS*.THydrogen-bonded Turntrans-131.3-44.2-172.1-62.9-172.9-179.7-179.60114.7L375L375-K378 PolarHBondContact O-N 3.24Å
379Y69.4Low80.2Confident171 Ų17166.8 Ų66.867%0.67133%0.329SS*.  trans-142.5116.9-177-68.2-78.6000109.1F371 L375F371-Y379 WeakPolarHBondContact CB-O 3.49Å; L375-Y379 HydrophobicContact CD2-CD2 4.24Å; L375-Y379 PolarHBondContact O-N 2.72Å
380M77.5Confident78.3Confident71 Ų7172.1 Ų72.135%0.3536%0.355SS..  trans-158.4114.4-164.2176.2173.263.200108.4H369 T370 F371H369-M380 HydrophobicContact CB-CG 3.75Å; H369-M380 HydrophobicContact CB-SD 3.68Å; H369-M380 VanDerWaalsContact ND1-CE 3.29Å; H369-M380 WeakPolarHBondContact ND1-CE 3.38Å; H369-M380 PolarHBondContact ND1-SD 3.2Å; T370-M380 WeakPolarHBondContact O-CA 3.34Å; F371-M380 HydrophobicContact CB-CB 4.45Å; F371-M380 HydrophobicContact CD1-CG 4.18Å; F371-M380 HydrophobicContact CD1-SD 4.32Å
381E82.4Confident76.2Confident62 Ų6278.5 Ų78.529%0.2938%0.384SS..EExtended strand (participates in β ladder)trans-79.2132.6178.1-66.9-60.4148.700109.9L249 Q296 F298 H369 T370L249-E381 HydrophobicContact CD1-CB 4.41Å; Q296-E381 PolarHBondContact NE2-OE2 3.1Å; F298-E381 HydrophobicContact CB-CG 3.52Å; F298-E381 HydrophobicContact CD2-CG 4.36Å; F298-E381 HydrophobicContact CG-CG 4.05Å; H369-E381 CarbonylContact C-O 3.56Å; H369-E381 WeakPolarHBondContact CA-O 3.45Å; T370-E381 HydrophobicContact CG2-CB 3.76Å; T370-E381 PolarHBondContact N-O 3.28Å; T370-E381 PolarHBondContact O-N 3.18Å
382I83.4Confident74.1Confident89 Ų8980.7 Ų80.746%0.45640%0.402SS..EExtended strand (participates in β ladder)trans-101.9104.4178.2-56.4-178.1000108.2Q296 T367Q296-I382 PolarHBondContact NE2-O 2.84Å; Q296-I382 PolarHBondContact OE1-O 3.39Å; T367-I382 HydrophobicContact CG2-CG2 3.5Å; T367-I382 VanDerWaalsContact CG2-CG2 3.5Å
383L82.4Confident72Confident6 Ų684.5 Ų84.53%0.03142%0.416CS..EExtended strand (participates in β ladder)trans-81.3122.9167.2-69.4163.9000108.2L249 V251 I267 Q296 L309 T367 M368 T370L249-L383 HydrophobicContact CB-CD2 3.9Å; L249-L383 HydrophobicContact CD1-CD1 4.18Å; L249-L383 HydrophobicContact CD1-CD2 3.93Å; L249-L383 HydrophobicContact CD1-CG 4.14Å; V251-L383 HydrophobicContact CG2-CD2 3.92Å; I267-L383 HydrophobicContact CD1-CD1 4Å; I267-L383 HydrophobicContact CG2-CD1 3.95Å; Q296-L383 HydrophobicContact CB-CD2 4.26Å; L309-L383 HydrophobicContact CD1-CD1 3.98Å; T367-L383 CarbonylContact C-O 3.56Å; T367-L383 WeakPolarHBondContact CA-O 3.36Å; M368-L383 HydrophobicContact CB-CB 4.34Å; M368-L383 PolarHBondContact N-O 3.28Å; M368-L383 PolarHBondContact O-N 3.48Å; T370-L383 HydrophobicContact CG2-CD1 4.38Å
384R82.8Confident69.9Low162 Ų16282.9 Ų82.961%0.61142%0.416SS*.EExtended strand (participates in β ladder)trans-118.6121.4165.9-178.1178175.6135.7-2.6108.4I365 V366I365-R384 HydrophobicContact CG2-CG 4.47Å; V366-R384 WeakPolarHBondContact O-CA 3.42Å
385F80.1Confident68Low9 Ų984.4 Ų84.44%0.03942%0.424CS..EExtended strand (participates in β ladder)trans-116.3158.6170.375-96.5000111.2V251 L265 F346 I364 I365 V366 M368V251-F385 HydrophobicContact CG1-CB 4.19Å; V251-F385 HydrophobicContact CG1-CD1 4.3Å; V251-F385 HydrophobicContact CG1-CG 4.37Å; L265-F385 HydrophobicContact CB-CZ 4.34Å; L265-F385 HydrophobicContact CD1-CD1 3.67Å; L265-F385 HydrophobicContact CD1-CD2 3.95Å; L265-F385 HydrophobicContact CD1-CE1 3.38Å; L265-F385 HydrophobicContact CD1-CE2 3.69Å; L265-F385 HydrophobicContact CD1-CG 3.94Å; L265-F385 HydrophobicContact CD1-CZ 3.39Å; L265-F385 HydrophobicContact CD2-CD1 3.94Å; L265-F385 HydrophobicContact CD2-CE1 3.16Å; L265-F385 HydrophobicContact CD2-CZ 3.66Å; L265-F385 HydrophobicContact CG-CD1 4.44Å; L265-F385 HydrophobicContact CG-CE1 3.83Å; L265-F385 HydrophobicContact CG-CZ 3.97Å; F346-F385 HydrophobicContact CD2-CZ 4.41Å; F346-F385 AromaticContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CE2-CZ 3.86Å; F346-F385 HydrophobicContact CZ-CZ 4.37Å; I364-F385 HydrophobicContact CG2-CE2 3.97Å; I365-F385 WeakPolarHBondContact CA-O 3.39Å; V366-F385 HydrophobicContact CB-CD1 3.88Å; V366-F385 HydrophobicContact CB-CE1 3.28Å; V366-F385 HydrophobicContact CB-CE2 4.02Å; V366-F385 HydrophobicContact CB-CG 4.47Å; V366-F385 HydrophobicContact CB-CZ 3.37Å; V366-F385 HydrophobicContact CG1-CD1 4.19Å; V366-F385 HydrophobicContact CG1-CE1 3.43Å; V366-F385 VanDerWaalsContact CG1-CE1 3.43Å; V366-F385 HydrophobicContact CG1-CZ 3.87Å; V366-F385 HydrophobicContact CG2-CE1 3.92Å; V366-F385 HydrophobicContact CG2-CE2 4.02Å; V366-F385 HydrophobicContact CG2-CZ 3.45Å; V366-F385 VanDerWaalsContact CG2-CZ 3.45Å; V366-F385 PolarHBondContact N-O 3.09Å; V366-F385 VanDerWaalsContact N-O 3.09Å; V366-F385 PolarHBondContact O-N 3.34Å; M368-F385 HydrophobicContact SD-CE1 4.45Å
386Q80.5Confident66.1Low101 Ų10188 Ų8847%0.47245%0.448SS..EExtended strand (participates in β ladder)trans-143.1127.5-177.2-179.4167.3-9.400106.4E363 I364 I365E363-Q386 VanDerWaalsContact CD-CG 3.42Å; E363-Q386 HydrophobicContact CG-CG 3.99Å; E363-Q386 WeakPolarHBondContact OE1-CG 3.36Å; E363-Q386 PolarHBondContact OE1-NE2 3.12Å; E363-Q386 PolarHBondContact OE2-NE2 3.46Å; I364-Q386 WeakPolarHBondContact O-CA 3.37Å; I365-Q386 HydrophobicContact CG1-CG 4.14Å
387A75.8Confident64.4Low3 Ų386.4 Ų86.43%0.02545%0.449CS..EExtended strand (participates in β ladder)trans-146.3116.2-178.400000110.8E363 I364E363-A387 WeakPolarHBondContact CA-O 3.34Å; I364-A387 HydrophobicContact CG2-CB 4.06Å; I364-A387 PolarHBondContact N-O 3.42Å; I364-A387 PolarHBondContact O-N 3.16Å
388S69Low62.8Low20 Ų2086.9 Ų86.914%0.1445%0.454CS..EExtended strand (participates in β ladder)trans-85.1142.8169.9163.80000111N362 E390 E391N362-S388 WeakPolarHBondContact O-CA 3.4Å; S388-E390 PolarHBondContact O-N 3.33Å; S388-E390 PolarHBondContact OG-N 3.16Å; S388-E391 PolarHBondContact OG-N 3.43Å
389E58.5Low61.8Low59 Ų5983.9 Ų83.928%0.27645%0.449SS..SBendtrans-69.7-18.5171.9-165.9166.6-148.600112.2R348 N362 W393R348-E389 IonicContact NH1-OE2 3.9Å; N362-E389 HydrophobicContact CB-CB 4.25Å; N362-E389 PolarHBondContact O-N 3.46Å; E389-W393 PolarHBondContact O-NE1 2.83Å
390E54.1Low60.8Low143 Ų14381.5 Ų81.567%0.66846%0.458SS*.SBendtrans-96.8-31.4178.9-69.3163.4-140.400112.1N362 S388 S392N362-E390 PolarHBondContact ND2-OE1 3.19Å; S388-E390 PolarHBondContact O-N 3.33Å; S388-E390 PolarHBondContact OG-N 3.16Å; E390-S392 PolarHBondContact O-N 3Å
391E49.3Very low59.4Low134 Ų13484.5 Ų84.563%0.62647%0.471SS*.SBendtrans-78.194.2178-70.1-155.5146.700113.3R292 S388R292-E391 PolarHBondContact NH1-O 2.67Å; S388-E391 PolarHBondContact OG-N 3.43Å
392S47.3Very low57.9Low65 Ų6585.9 Ų85.946%0.45549%0.485SS..SBendtrans80.839.5161.6-55.90000117.6R290 E390 A394R290-S392 PolarHBondContact NE-O 3.13Å; E390-S392 PolarHBondContact O-N 3Å; S392-A394 PolarHBondContact O-N 2.94Å
393W49.3Very low56.2Low87 Ų8784.6 Ų84.633%0.3348%0.483SS..  trans-7427141.9-55.6137.5000112.6P255 L263 E389 A395P255-W393 VanDerWaalsContact CD-CH2 3.47Å; P255-W393 HydrophobicContact CG-CD2 4.5Å; P255-W393 HydrophobicContact CG-CE3 4.46Å; P255-W393 HydrophobicContact CG-CH2 3.96Å; P255-W393 HydrophobicContact CG-CZ2 3.92Å; P255-W393 HydrophobicContact CG-CZ3 4.22Å; L263-W393 HydrophobicContact CD2-CZ2 3.94Å; E389-W393 PolarHBondContact O-NE1 2.83Å; W393-A395 PolarHBondContact O-N 2.89Å
394A41Very low54.9Low66 Ų6686 Ų8655%0.54549%0.492SS..PPolyproline II helixtrans-46.9127.1167.200000108.7R290 S392R290-A394 PolarHBondContact NH2-O 3.11Å; S392-A394 PolarHBondContact O-N 2.94Å
395A43.5Very low53.7Low88 Ų8880 Ų8073%0.72747%0.474SS*.PPolyproline II helixtrans-50.1138.6-151.800000112.9W393W393-A395 PolarHBondContact O-N 2.89Å
396P44.9Very low52.9Low100 Ų10080 Ų8065%0.64948%0.475SS*.PPolyproline II helixtrans-57.6153170.828.3-35000109.4
397P42.2Very low52.4Low88 Ų8878.1 Ų78.157%0.57146%0.464SS*.PPolyproline II helixtrans-53.7154.916227.7-34.5000109V399P397-V399 HydrophobicContact CG-CG2 4.3Å; P397-V399 PolarHBondContact O-N 3.11Å
398P39.9Very low52.5Low139 Ų13978.3 Ų78.390%0.90346%0.464SS*.  trans-7077.3-176.529-35.7000111.7
399V44.7Very low52.9Low99 Ų9978.2 Ų78.260%0.646%0.463SS*.  trans-76.1123.9169.1-172.70000107.2P397 Q401P397-V399 HydrophobicContact CG-CG2 4.3Å; P397-V399 PolarHBondContact O-N 3.11Å; V399-Q401 WeakPolarHBondContact CG1-O 3.39Å; V399-Q401 PolarHBondContact O-N 3.08Å; V399-Q401 VanDerWaalsContact O-N 3.07Å
400S48.2Very low53.7Low121 Ų12179.4 Ų79.485%0.84648%0.476SS*.SBendtrans-74.69.9-176.549.70000114.4
401Q48.9Very low54.9Low133 Ų13378.3 Ų78.362%0.62147%0.471SS*.SBendtrans-145148.8-175.8-63.6-176.1-8.400109.2V399V399-Q401 WeakPolarHBondContact CG1-O 3.39Å; V399-Q401 PolarHBondContact O-N 3.08Å; V399-Q401 VanDerWaalsContact O-N 3.07Å
402P49.4Very low56.6Low91 Ų9172.2 Ų72.259%0.59144%0.442SS*.PPolyproline II helixtrans-62.5149170.328.9-34.8000110.3P258P258-P402 HydrophobicContact CG-CB 4.15Å
403P48.5Very low58.4Low63 Ų6370.7 Ų70.741%0.40943%0.428SS..PPolyproline II helixtrans-58.2132173.225.8-33.9000109.2P258 P286P258-P403 HydrophobicContact CG-CG 4.48Å; P286-P403 WeakPolarHBondContact O-CA 3.47Å; P286-P403 VanDerWaalsContact O-CB 3.24Å; P286-P403 WeakPolarHBondContact O-CB 3.48Å
404P55.1Low60.2Low34 Ų3472.6 Ų72.622%0.22144%0.44CS..PPolyproline II helixtrans-62.9141.3176.422.4-28.3000110.2H287 N406H287-P404 PolarHBondContact CD2-O 3.27Å; P404-N406 PolarHBondContact O-OD1 3.16Å
405C56.3Low62.6Low36 Ų3674 Ų7424%0.24344%0.435CS..PPolyproline II helixtrans-82.8121.5167.8-1590000107.9R407C405-R407 VanDerWaalsContact C-N 3.26Å
406N63.8Low64.8Low10 Ų1069.9 Ų69.95%0.05340%0.401CS..  trans-93.47.7179.5-54.6-14.8000112.3H287 P404 N465H287-N406 PolarHBondContact CD2-ND2 3.16Å; H287-N406 PolarHBondContact CD2-OD1 2.8Å; H287-N406 VanDerWaalsContact CD2-OD1 3.29Å; H287-N406 PolarHBondContact CE1-ND2 3.14Å; H287-N406 PolarHBondContact ND1-ND2 3.16Å; H287-N406 PolarHBondContact NE2-ND2 2.91Å; H287-N406 PolarHBondContact NE2-OD1 3.21Å; P404-N406 PolarHBondContact O-OD1 3.16Å; N406-N465 PolarHBondContact ND2-ND2 2.05Å; N406-N465 PolarHBondContact ND2-OD1 3.01Å
407R71.4Confident67.1Low62 Ų6267.5 Ų67.523%0.23438%0.381CS..SBendtrans-104.4131.9166.3-162.3-171.6-174.9162.91.8108.1D322 C345 C405 E462D322-R407 IonicContact OD1-CZ 3.17Å; D322-R407 IonicContact OD1-NH1 2.73Å; D322-R407 PolarHBondContact OD1-NH1 3.03Å; D322-R407 IonicContact OD1-NH2 2.74Å; D322-R407 PolarHBondContact OD1-NH2 2.83Å; C345-R407 PolarHBondContact SG-NH1 3.19Å; C405-R407 VanDerWaalsContact C-N 3.26Å; R407-E462 VanDerWaalsContact CA-OE1 3.29Å; R407-E462 WeakPolarHBondContact CA-OE1 3.48Å; R407-E462 WeakPolarHBondContact CG-OE1 3.27Å
408L76.9Confident69.5Low7 Ų770.2 Ų70.24%0.03739%0.388CS..  trans-69.7128.7169.7-62172.6000108.1F413 L416 L458 E462 L468 L471L408-F413 HydrophobicContact CB-CB 3.96Å; L408-F413 HydrophobicContact CB-CD2 4.03Å; L408-F413 HydrophobicContact CD1-CD2 3.78Å; L408-F413 HydrophobicContact CD1-CE2 4.45Å; L408-L416 HydrophobicContact CD2-CD1 4.39Å; L408-L458 HydrophobicContact CD1-CB 3.96Å; L408-L458 HydrophobicContact CD1-CD2 3.91Å; L408-L458 HydrophobicContact CD1-CG 4.36Å; L408-E462 HydrophobicContact CD1-CG 4.5Å; L408-E462 HydrophobicContact CG-CG 4.36Å; L408-E462 PolarHBondContact N-OE1 2.64Å; L408-L468 HydrophobicContact CD2-CD2 3.62Å; L408-L471 HydrophobicContact CD1-CD2 4.27Å; L408-L471 HydrophobicContact CD2-CD2 3.71Å
409P77.8Confident72Confident17 Ų1765.8 Ų65.811%0.1136%0.357CS..  trans-52.9140167.9-2028000109.6E411 L412 F413 Y490P409-E411 PolarHBondContact O-N 2.88Å; P409-E411 VanDerWaalsContact O-N 3.16Å; P409-L412 HydrophobicContact CB-CB 4.17Å; P409-L412 HydrophobicContact CG-CB 4.19Å; P409-L412 HydrophobicContact CG-CD2 4.45Å; P409-L412 CarbonylContact O-C 3.59Å; P409-L412 PolarHBondContact O-N 2.88Å; P409-F413 PolarHBondContact O-N 3.09Å; P409-Y490 HydrophobicContact CB-CE2 3.95Å; P409-Y490 HydrophobicContact CG-CD1 4.08Å; P409-Y490 HydrophobicContact CG-CD2 4.05Å; P409-Y490 HydrophobicContact CG-CE1 3.51Å; P409-Y490 HydrophobicContact CG-CE2 3.48Å; P409-Y490 VanDerWaalsContact CG-CE2 3.48Å; P409-Y490 HydrophobicContact CG-CG 4.33Å; P409-Y490 WeakPolarHBondContact CG-OH 3.48Å
410P74.3Confident74.3Confident84 Ų8461.1 Ų61.155%0.54533%0.328SS..Hα-helixtrans-51.8-42.3-176.4-28.435.8000113.4L412 F413 E414P410-L412 PolarHBondContact O-N 3.23Å; P410-F413 PolarHBondContact O-N 3.03Å; P410-E414 WeakPolarHBondContact O-CG 3.34Å; P410-E414 PolarHBondContact O-N 2.8Å
411E80Confident76.4Confident121 Ų12158.3 Ų58.357%0.56530%0.302SS*.Hα-helixtrans-64.6-38.9179.5-5481.6177.300112P409 Q415P409-E411 PolarHBondContact O-N 2.88Å; P409-E411 VanDerWaalsContact O-N 3.16Å; E411-Q415 VanDerWaalsContact O-CB 3.28Å; E411-Q415 WeakPolarHBondContact O-CB 3.14Å; E411-Q415 PolarHBondContact O-N 2.86Å
412L84.5Confident78.4Confident5 Ų555.8 Ų55.83%0.02630%0.297CS..Hα-helixtrans-76.7-34.1176.7-176.962.3000111.5P409 P410 L416 L468 A486 I487 Y490P409-L412 HydrophobicContact CB-CB 4.17Å; P409-L412 HydrophobicContact CG-CB 4.19Å; P409-L412 HydrophobicContact CG-CD2 4.45Å; P409-L412 CarbonylContact O-C 3.59Å; P409-L412 PolarHBondContact O-N 2.88Å; P410-L412 PolarHBondContact O-N 3.23Å; L412-L416 HydrophobicContact CD1-CD1 4.08Å; L412-L416 HydrophobicContact CD1-CG 4.07Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.32Å; L412-L416 VanDerWaalsContact O-CB 3.29Å; L412-L416 WeakPolarHBondContact O-CB 3.18Å; L412-L416 WeakPolarHBondContact O-CG 3.17Å; L412-L416 PolarHBondContact O-N 3.18Å; L412-L468 HydrophobicContact CD2-CD2 3.68Å; L412-A486 HydrophobicContact CD1-CB 3.98Å; L412-I487 HydrophobicContact CD1-CG1 4.26Å; L412-I487 HydrophobicContact CD2-CG1 4.32Å; L412-Y490 HydrophobicContact CD2-CD1 4.16Å; L412-Y490 HydrophobicContact CD2-CG 4.05Å
413F86.3Confident80Confident34 Ų3457.1 Ų57.115%0.14930%0.299CS..Hα-helixtrans-62.8-51.7173.6-174.9-75.6000110.2L408 P409 P410 Q415 L416 Q417 A455 L458 E459L408-F413 HydrophobicContact CB-CB 3.96Å; L408-F413 HydrophobicContact CB-CD2 4.03Å; L408-F413 HydrophobicContact CD1-CD2 3.78Å; L408-F413 HydrophobicContact CD1-CE2 4.45Å; P409-F413 PolarHBondContact O-N 3.09Å; P410-F413 PolarHBondContact O-N 3.03Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.45Å; F413-L416 PolarHBondContact O-N 3.45Å; F413-Q417 VanDerWaalsContact O-CB 3.23Å; F413-Q417 WeakPolarHBondContact O-CB 3.3Å; F413-Q417 PolarHBondContact O-N 3.27Å; F413-A455 HydrophobicContact CE1-CB 3.96Å; F413-A455 HydrophobicContact CZ-CB 3.94Å; F413-L458 HydrophobicContact CD2-CB 4.1Å; F413-L458 HydrophobicContact CE2-CB 3.57Å; F413-L458 HydrophobicContact CZ-CB 4Å; F413-E459 HydrophobicContact CE2-CG 4.26Å; F413-E459 HydrophobicContact CZ-CG 4.09Å
414E86.9Confident81.7Confident127 Ų12755.8 Ų55.859%0.59329%0.291SS*.Hα-helixtrans-59.8-43.6176.6-73.5-172.8172.100111.6P410 Q417 M418P410-E414 WeakPolarHBondContact O-CG 3.34Å; P410-E414 PolarHBondContact O-N 2.8Å; E414-Q417 PolarHBondContact O-N 3.34Å; E414-M418 WeakPolarHBondContact O-CB 3.3Å; E414-M418 VanDerWaalsContact O-CG 3.29Å; E414-M418 WeakPolarHBondContact O-CG 3.3Å; E414-M418 PolarHBondContact O-N 3.46Å
415Q90.6Very high82.6Confident96 Ų9662.9 Ų62.945%0.44933%0.325SS..Hα-helixtrans-62-47.8176.8-174176.71100111.9E411 F413 M418 L419 A486E411-Q415 VanDerWaalsContact O-CB 3.28Å; E411-Q415 WeakPolarHBondContact O-CB 3.14Å; E411-Q415 PolarHBondContact O-N 2.86Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.45Å; Q415-M418 PolarHBondContact O-N 3.28Å; Q415-L419 HydrophobicContact CG-CD1 4.21Å; Q415-L419 VanDerWaalsContact O-CG 3.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.4Å; Q415-L419 PolarHBondContact O-N 2.87Å; Q415-A486 HydrophobicContact CG-CB 4.29Å
416L91Very high83.6Confident0 Ų066.5 Ų66.50%035%0.347CS..Hα-helixtrans-67.1-37.6178.5-72171.8000112L408 L412 F413 L419 L420 L458 L471 C483 I487L408-L416 HydrophobicContact CD2-CD1 4.39Å; L412-L416 HydrophobicContact CD1-CD1 4.08Å; L412-L416 HydrophobicContact CD1-CG 4.07Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.32Å; L412-L416 VanDerWaalsContact O-CB 3.29Å; L412-L416 WeakPolarHBondContact O-CB 3.18Å; L412-L416 WeakPolarHBondContact O-CG 3.17Å; L412-L416 PolarHBondContact O-N 3.18Å; F413-L416 PolarHBondContact O-N 3.45Å; L416-L419 PolarHBondContact O-N 2.97Å; L416-L420 HydrophobicContact CB-CD1 4.47Å; L416-L420 VanDerWaalsContact O-CB 3.26Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 WeakPolarHBondContact O-CD1 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 3.06Å; L416-L458 HydrophobicContact CB-CD1 3.81Å; L416-L458 HydrophobicContact CB-CD2 4.33Å; L416-L471 HydrophobicContact CD1-CD2 3.76Å; L416-C483 HydrophobicContact CD2-CB 3.65Å; L416-I487 HydrophobicContact CD1-CD1 4.11Å; L416-I487 HydrophobicContact CD1-CG1 3.92Å; L416-I487 HydrophobicContact CD2-CD1 4.1Å; L416-I487 HydrophobicContact CD2-CG1 4.1Å
417Q93.1Very high84.4Confident51 Ų5166.8 Ų66.824%0.23835%0.351CS..Hα-helixtrans-58.5-52172.9-178-172.20.700110.1F413 E414 L419 L420 E421 S452 A454 A455 L458F413-Q417 VanDerWaalsContact O-CB 3.23Å; F413-Q417 WeakPolarHBondContact O-CB 3.3Å; F413-Q417 PolarHBondContact O-N 3.27Å; E414-Q417 PolarHBondContact O-N 3.34Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.07Å; Q417-L420 PolarHBondContact O-N 3.45Å; Q417-L420 VanDerWaalsContact O-N 3.14Å; Q417-E421 VanDerWaalsContact O-CB 3.24Å; Q417-E421 WeakPolarHBondContact O-CB 3.21Å; Q417-E421 PolarHBondContact O-N 3.45Å; Q417-S452 PolarHBondContact NE2-OG 2.84Å; Q417-A454 HydrophobicContact CG-CB 4.04Å; Q417-A455 HydrophobicContact CG-CB 4.24Å; Q417-L458 HydrophobicContact CB-CD1 4.18Å
418M91.5Very high85.3Confident144 Ų14464.7 Ų64.771%0.70935%0.345SS*.Hα-helixtrans-60.9-31.6179-76.3-65.4-63.800113.4E414 Q415 P422E414-M418 WeakPolarHBondContact O-CB 3.3Å; E414-M418 VanDerWaalsContact O-CG 3.29Å; E414-M418 WeakPolarHBondContact O-CG 3.3Å; E414-M418 PolarHBondContact O-N 3.46Å; Q415-M418 PolarHBondContact O-N 3.28Å; M418-P422 VanDerWaalsContact O-CD 3.3Å; M418-P422 WeakPolarHBondContact O-CD 3.48Å
419L92.6Very high86Confident47 Ų4764.4 Ų64.425%0.24634%0.343CS..Hα-helixtrans-78.7-33.6174.7-67.7172.5000113Q415 L416 Q417 R480 C483Q415-L419 HydrophobicContact CG-CD1 4.21Å; Q415-L419 VanDerWaalsContact O-CG 3.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.4Å; Q415-L419 PolarHBondContact O-N 2.87Å; L416-L419 PolarHBondContact O-N 2.97Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.07Å; L419-R480 PolarHBondContact O-NH1 3.43Å; L419-R480 PolarHBondContact O-NH2 3.18Å; L419-C483 VanDerWaalsContact CB-SG 3.55Å
420L92.9Very high86.7Confident0 Ų063.8 Ų63.80%034%0.339CS..Hα-helixtrans-93.3-19-174.2-67.7167.3000114.5L416 Q417 W430 L433 A454 L458 M475L416-L420 HydrophobicContact CB-CD1 4.47Å; L416-L420 VanDerWaalsContact O-CB 3.26Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 WeakPolarHBondContact O-CD1 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.4Å; L416-L420 PolarHBondContact O-N 3.06Å; Q417-L420 PolarHBondContact O-N 3.45Å; Q417-L420 VanDerWaalsContact O-N 3.14Å; L420-W430 HydrophobicContact CB-CB 4.5Å; L420-W430 PolarHBondContact O-N 3.25Å; L420-L433 HydrophobicContact CD1-CD2 4.15Å; L420-A454 HydrophobicContact CB-CB 3.91Å; L420-L458 HydrophobicContact CD1-CD1 4.39Å; L420-L458 HydrophobicContact CD1-CD2 3.98Å; L420-L458 HydrophobicContact CD1-CG 4.33Å; L420-M475 HydrophobicContact CD1-CE 3.68Å; L420-M475 HydrophobicContact CD2-CE 4.18Å; L420-M475 HydrophobicContact CD2-SD 4.13Å; L420-M475 HydrophobicContact CG-CE 4.49Å
421E92.9Very high87.5Confident62 Ų6263.6 Ų63.629%0.2933%0.327SS..SBendtrans-67.3-37.1178.8-171.374-16400114.2Q417 N423 S452 P453 A454Q417-E421 VanDerWaalsContact O-CB 3.24Å; Q417-E421 WeakPolarHBondContact O-CB 3.21Å; Q417-E421 PolarHBondContact O-N 3.45Å; E421-N423 PolarHBondContact O-N 2.94Å; E421-S452 WeakPolarHBondContact OE2-CA 3.37Å; E421-S452 WeakPolarHBondContact OE2-CB 3.21Å; E421-S452 PolarHBondContact OE2-OG 3.16Å; E421-P453 WeakPolarHBondContact OE1-CD 3.32Å; E421-P453 WeakPolarHBondContact OE2-CD 3.47Å; E421-A454 HydrophobicContact CB-CB 3.88Å; E421-A454 WeakPolarHBondContact OE2-CB 3.47Å; E421-A454 PolarHBondContact OE2-N 3.5Å
422P89.8Confident88Confident81 Ų8161.6 Ų61.653%0.52632%0.315SS..SBendtrans-62.1120.7178.6-24.635.6000113M418 S424M418-P422 VanDerWaalsContact O-CD 3.3Å; M418-P422 WeakPolarHBondContact O-CD 3.48Å; P422-S424 PolarHBondContact O-N 3.49Å; P422-S424 VanDerWaalsContact O-N 3.1Å
423N84.3Confident88.2Confident118 Ų11861.3 Ų61.363%0.63131%0.313SS*.  trans-65.9109.6-179.8-71.3-68.7000111.8E421E421-N423 PolarHBondContact O-N 2.94Å
424S82.9Confident88.1Confident35 Ų3559.7 Ų59.725%0.24531%0.306CS..  trans-76.3142.3172.8175.60000111.7P422 T426 G427 N428 D429 R431P422-S424 PolarHBondContact O-N 3.49Å; P422-S424 VanDerWaalsContact O-N 3.1Å; S424-T426 VanDerWaalsContact C-N 3.26Å; S424-T426 PolarHBondContact O-N 3.24Å; S424-T426 PolarHBondContact OG-N 2.88Å; S424-T426 PolarHBondContact OG-OG1 3.28Å; S424-T426 VanDerWaalsContact OG-OG1 3.08Å; S424-G427 PolarHBondContact O-N 2.79Å; S424-N428 PolarHBondContact OG-N 3.1Å; S424-D429 WeakPolarHBondContact CB-OD2 3.36Å; S424-D429 PolarHBondContact N-OD2 2.93Å; S424-R431 PolarHBondContact O-NH2 3Å
425I75.6Confident87.8Confident183 Ų18356.7 Ų56.794%0.93830%0.299SS*.THydrogen-bonded Turntrans-65.9-33.6178-46.5175.2000110.5G427I425-G427 VanDerWaalsContact C-N 3.26Å; I425-G427 PolarHBondContact O-N 3.14Å
426T76.9Confident87.2Confident113 Ų11354.2 Ų54.269%0.69329%0.287SS*.THydrogen-bonded Turntrans-84.42.5175.359.90000113.2S424 N428S424-T426 VanDerWaalsContact C-N 3.26Å; S424-T426 PolarHBondContact O-N 3.24Å; S424-T426 PolarHBondContact OG-N 2.88Å; S424-T426 PolarHBondContact OG-OG1 3.28Å; S424-T426 VanDerWaalsContact OG-OG1 3.08Å; T426-N428 PolarHBondContact O-N 3.45Å
427G80.9Confident86.4Confident15 Ų1555.2 Ų55.216%0.15529%0.292CS..  trans7011.6-173.500000114.5S424 I425 D429 R432S424-G427 PolarHBondContact O-N 2.79Å; I425-G427 VanDerWaalsContact C-N 3.26Å; I425-G427 PolarHBondContact O-N 3.14Å; G427-D429 PolarHBondContact O-N 3.46Å; G427-R432 WeakPolarHBondContact O-CB 3.38Å; G427-R432 PolarHBondContact O-N 2.76Å
428N88.6Confident85.3Confident19 Ų1955.8 Ų55.810%0.10231%0.313CS..THydrogen-bonded Turntrans-77.265.2179.4-163.211.1000113.1S424 T426 R432 M478 R480S424-N428 PolarHBondContact OG-N 3.1Å; T426-N428 PolarHBondContact O-N 3.45Å; N428-R432 WeakPolarHBondContact OD1-CD 3.42Å; N428-M478 VanDerWaalsContact CG-O 3.28Å; N428-M478 PolarHBondContact ND2-O 2.8Å; N428-M478 PolarHBondContact OD1-O 3.09Å; N428-R480 PolarHBondContact O-NH1 2.78Å; N428-R480 VanDerWaalsContact O-NH1 3.08Å
429D91.9Very high84.4Confident0 Ų049.6 Ų49.60%028%0.282CS..THydrogen-bonded Turntrans-147.8-157.1-1765356.9000109.6S424 G427 R431 R432 L433S424-D429 WeakPolarHBondContact CB-OD2 3.36Å; S424-D429 PolarHBondContact N-OD2 2.93Å; G427-D429 PolarHBondContact O-N 3.46Å; D429-R431 PolarHBondContact O-N 2.98Å; D429-R431 WeakPolarHBondContact OD1-CB 3.28Å; D429-R431 VanDerWaalsContact OD1-CG 3.26Å; D429-R431 WeakPolarHBondContact OD1-CG 3.21Å; D429-R431 IonicContact OD1-CZ 3.79Å; D429-R431 PolarHBondContact OD1-N 3.26Å; D429-R431 IonicContact OD1-NE 2.65Å; D429-R431 PolarHBondContact OD1-NE 3.19Å; D429-R431 IonicContact OD1-NH2 2.79Å; D429-R431 IonicContact OD2-CZ 2.72Å; D429-R431 IonicContact OD2-NE 3.47Å; D429-R431 PolarHBondContact OD2-NE 2.96Å; D429-R431 IonicContact OD2-NH2 3.7Å; D429-R431 PolarHBondContact OD2-NH2 3Å; D429-R432 PolarHBondContact O-N 3.27Å; D429-L433 PolarHBondContact O-N 3.29Å
430W92.8Very high83Confident5 Ų550.6 Ų50.62%0.01929%0.292CS..Hα-helixtrans-45.6-29173.268.9-95.9000113.9L420 A434 I444 L447 P453 A454 I457L420-W430 HydrophobicContact CB-CB 4.5Å; L420-W430 PolarHBondContact O-N 3.25Å; W430-A434 VanDerWaalsContact O-CB 3.24Å; W430-A434 WeakPolarHBondContact O-CB 3.39Å; W430-A434 PolarHBondContact O-N 2.79Å; W430-I444 HydrophobicContact CH2-CG2 4.12Å; W430-I444 WeakPolarHBondContact CH2-O 3.38Å; W430-I444 HydrophobicContact CZ3-CG2 3.81Å; W430-I444 WeakPolarHBondContact CZ3-O 3.29Å; W430-L447 HydrophobicContact CE3-CB 4.32Å; W430-L447 HydrophobicContact CH2-CB 4.22Å; W430-L447 HydrophobicContact CZ3-CB 3.61Å; W430-L447 HydrophobicContact CZ3-CD1 4.47Å; W430-P453 HydrophobicContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CE2-CB 3.41Å; W430-P453 HydrophobicContact CE3-CB 3.74Å; W430-P453 HydrophobicContact CG-CB 3.93Å; W430-P453 HydrophobicContact CH2-CB 4.05Å; W430-P453 HydrophobicContact CZ2-CB 3.74Å; W430-P453 HydrophobicContact CZ2-CG 4.1Å; W430-P453 HydrophobicContact CZ3-CB 4.05Å; W430-A454 HydrophobicContact CB-CB 4.31Å; W430-I457 HydrophobicContact CB-CG2 3.84Å
431R92.3Very high81.8Confident79 Ų7952.9 Ų52.930%0.29832%0.316SS..Hα-helixtrans-69.2-38.4176-64.5173.5-74.7174.8-5.1113.2S424 D429 A434 S435 I444S424-R431 PolarHBondContact O-NH2 3Å; D429-R431 PolarHBondContact O-N 2.98Å; D429-R431 WeakPolarHBondContact OD1-CB 3.28Å; D429-R431 VanDerWaalsContact OD1-CG 3.26Å; D429-R431 WeakPolarHBondContact OD1-CG 3.21Å; D429-R431 IonicContact OD1-CZ 3.79Å; D429-R431 PolarHBondContact OD1-N 3.26Å; D429-R431 IonicContact OD1-NE 2.65Å; D429-R431 PolarHBondContact OD1-NE 3.19Å; D429-R431 IonicContact OD1-NH2 2.79Å; D429-R431 IonicContact OD2-CZ 2.72Å; D429-R431 IonicContact OD2-NE 3.47Å; D429-R431 PolarHBondContact OD2-NE 2.96Å; D429-R431 IonicContact OD2-NH2 3.7Å; D429-R431 PolarHBondContact OD2-NH2 3Å; R431-A434 PolarHBondContact O-N 3.47Å; R431-S435 PolarHBondContact O-N 3.12Å; R431-I444 HydrophobicContact CB-CG2 4.08Å; R431-I444 HydrophobicContact CG-CG2 3.83Å
432R88.7Confident80.4Confident79 Ų7957.5 Ų57.530%0.29834%0.339SS..Hα-helixtrans-74.5-38.6176.9-172.9158.1170.4177.8-12.2110.6G427 N428 D429 S435 H436 M478 E479G427-R432 WeakPolarHBondContact O-CB 3.38Å; G427-R432 PolarHBondContact O-N 2.76Å; N428-R432 WeakPolarHBondContact OD1-CD 3.42Å; D429-R432 PolarHBondContact O-N 3.27Å; R432-S435 PolarHBondContact O-N 3.35Å; R432-H436 PolarHBondContact O-N 3.1Å; R432-H436 VanDerWaalsContact O-N 3.13Å; R432-H436 PolarHBondContact O-ND1 2.86Å; R432-M478 HydrophobicContact CG-CB 3.94Å; R432-E479 IonicContact NH2-OE2 2.71Å
433L89.5Confident79.2Confident0 Ų058.4 Ų58.40%034%0.335CS..Hα-helixtrans-56.6-50.6168-179.359.8000110.8L420 D429 S435 H436 L437 I457 L458 L471 L474 M475 M478L420-L433 HydrophobicContact CD1-CD2 4.15Å; D429-L433 PolarHBondContact O-N 3.29Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 2.87Å; L433-H436 PolarHBondContact O-N 3Å; L433-L437 HydrophobicContact CD1-CD1 4.13Å; L433-L437 HydrophobicContact CD1-CG 4.16Å; L433-L437 HydrophobicContact CG-CD1 4.1Å; L433-L437 HydrophobicContact CG-CG 4.42Å; L433-L437 WeakPolarHBondContact O-CG 3.45Å; L433-L437 PolarHBondContact O-N 3.09Å; L433-I457 HydrophobicContact CB-CG1 4.41Å; L433-I457 HydrophobicContact CD2-CG1 3.94Å; L433-I457 HydrophobicContact CD2-CG2 3.83Å; L433-I457 HydrophobicContact CG-CG1 3.95Å; L433-L458 HydrophobicContact CD2-CD2 4.26Å; L433-L471 HydrophobicContact CD1-CD1 4.18Å; L433-L474 HydrophobicContact CD1-CB 4.48Å; L433-L474 HydrophobicContact CD1-CD1 4.18Å; L433-M475 HydrophobicContact CD1-CE 4.22Å; L433-M475 HydrophobicContact CD2-CE 4Å; L433-M478 HydrophobicContact CB-CE 3.88Å; L433-M478 HydrophobicContact CD1-CE 3.84Å; L433-M478 HydrophobicContact CG-CE 4.43Å
434A83.4Confident79.1Confident0 Ų054.1 Ų54.10%031%0.312CS..Hα-helixtrans-57-37.2178.600000113.4W430 R431 L437 L439 I444 L447 I457W430-A434 VanDerWaalsContact O-CB 3.24Å; W430-A434 WeakPolarHBondContact O-CB 3.39Å; W430-A434 PolarHBondContact O-N 2.79Å; R431-A434 PolarHBondContact O-N 3.47Å; A434-L437 CarbonylContact O-C 3.6Å; A434-L437 PolarHBondContact O-N 3.48Å; A434-L439 HydrophobicContact CB-CB 4.38Å; A434-L439 HydrophobicContact CB-CD1 3.75Å; A434-L439 VanDerWaalsContact O-CB 3.26Å; A434-L439 WeakPolarHBondContact O-CB 3.19Å; A434-L439 PolarHBondContact O-N 2.61Å; A434-I444 HydrophobicContact CB-CD1 4.19Å; A434-I444 HydrophobicContact CB-CG1 3.93Å; A434-L447 HydrophobicContact CB-CD1 4.39Å; A434-I457 HydrophobicContact CB-CD1 3.62Å; A434-I457 HydrophobicContact CB-CG1 4.05Å
435S80.6Confident79.1Confident63 Ų6361.7 Ų61.744%0.44134%0.335SS..Hα-helixtrans-69-32175.1-168.30000113.6R431 R432 L433R431-S435 PolarHBondContact O-N 3.12Å; R432-S435 PolarHBondContact O-N 3.35Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 2.87Å
436H78.6Confident79Confident45 Ų4559.5 Ų59.521%0.20832%0.319CS..Hα-helixtrans-73.7-36.2173.9-70.969.4000110.9H68 R432 L433 G438 L474H68-H436 AromaticContact NE2-CD2 3.57Å; H68-H436 AromaticContact NE2-NE2 3.58Å; R432-H436 PolarHBondContact O-N 3.1Å; R432-H436 VanDerWaalsContact O-N 3.13Å; R432-H436 PolarHBondContact O-ND1 2.86Å; L433-H436 PolarHBondContact O-N 3Å; H436-G438 PolarHBondContact O-N 2.79Å; H436-L474 HydrophobicContact CB-CD2 3.97Å
437L75.5Confident79.4Confident20 Ų2054.9 Ų54.911%0.10529%0.29CS..THydrogen-bonded Turntrans-76.225.3172.5-55.3-176.2000113.8L433 A434 L439 I457 L460 F461 L474L433-L437 HydrophobicContact CD1-CD1 4.13Å; L433-L437 HydrophobicContact CD1-CG 4.16Å; L433-L437 HydrophobicContact CG-CD1 4.1Å; L433-L437 HydrophobicContact CG-CG 4.42Å; L433-L437 WeakPolarHBondContact O-CG 3.45Å; L433-L437 PolarHBondContact O-N 3.09Å; A434-L437 CarbonylContact O-C 3.6Å; A434-L437 PolarHBondContact O-N 3.48Å; L437-L439 VanDerWaalsContact C-N 3.29Å; L437-L439 PolarHBondContact O-N 2.8Å; L437-I457 HydrophobicContact CD1-CD1 4.07Å; L437-I457 HydrophobicContact CD1-CG1 4.17Å; L437-L460 HydrophobicContact CB-CD2 4.25Å; L437-L460 HydrophobicContact CD1-CD2 4.03Å; L437-F461 HydrophobicContact CD1-CB 4Å; L437-F461 HydrophobicContact CD1-CD2 4.07Å; L437-F461 HydrophobicContact CD2-CD2 3.88Å; L437-F461 HydrophobicContact CD2-CE2 4.42Å; L437-L474 HydrophobicContact CD2-CD1 3.8Å
438G69.8Low79.6Confident64 Ų6457.5 Ų57.566%0.6631%0.306SS*.THydrogen-bonded Turntrans67.915.4170.800000116.2H436 C440H436-G438 PolarHBondContact O-N 2.79Å; G438-C440 PolarHBondContact O-N 2.9Å
439L71.8Confident79.3Confident13 Ų1361.5 Ų61.57%0.06833%0.334CS..  trans-81.7119.3-177.8-62.9169.3000111.5A434 L437 K443 I444 L447 I457 L460A434-L439 HydrophobicContact CB-CB 4.38Å; A434-L439 HydrophobicContact CB-CD1 3.75Å; A434-L439 VanDerWaalsContact O-CB 3.26Å; A434-L439 WeakPolarHBondContact O-CB 3.19Å; A434-L439 PolarHBondContact O-N 2.61Å; L437-L439 VanDerWaalsContact C-N 3.29Å; L437-L439 PolarHBondContact O-N 2.8Å; L439-K443 HydrophobicContact CB-CB 4.19Å; L439-K443 HydrophobicContact CD2-CB 4.12Å; L439-K443 HydrophobicContact CD2-CD 3.65Å; L439-K443 HydrophobicContact CD2-CG 4.5Å; L439-I444 HydrophobicContact CB-CG1 4.06Å; L439-I444 WeakPolarHBondContact O-CD1 3.35Å; L439-L447 HydrophobicContact CD1-CD1 3.78Å; L439-I457 HydrophobicContact CD1-CD1 3.42Å; L439-I457 VanDerWaalsContact CD1-CD1 3.42Å; L439-L460 HydrophobicContact CD1-CD1 4.1Å; L439-L460 HydrophobicContact CD1-CD2 4.13Å; L439-L460 HydrophobicContact CD2-CD1 4.27Å
440C63.5Low78.7Confident69 Ų6965.3 Ų65.347%0.46635%0.352SS..  trans-64.1154173.865.60000112G438 M442 K443 I444G438-C440 PolarHBondContact O-N 2.9Å; C440-M442 PolarHBondContact O-N 3.37Å; C440-K443 WeakPolarHBondContact O-CA 3.29Å; C440-K443 WeakPolarHBondContact O-CB 3.45Å; C440-K443 PolarHBondContact O-N 2.95Å; C440-I444 PolarHBondContact O-N 3.38Å; C440-I444 VanDerWaalsContact O-N 3.14Å
441G66.5Low78.2Confident48 Ų4877.1 Ų77.150%0.49540%0.397SS..Hα-helixtrans-55.5-23.9-173.800000115.9R445G441-R445 WeakPolarHBondContact O-CB 3.39Å; G441-R445 VanDerWaalsContact O-CG 3.31Å; G441-R445 WeakPolarHBondContact O-CG 3.21Å; G441-R445 PolarHBondContact O-N 3.19Å
442M64.8Low78.1Confident158 Ų15874.3 Ų74.378%0.77839%0.389SS*.Hα-helixtrans-69.3-38.9171.2-70178.971.700112.9C440 F446C440-M442 PolarHBondContact O-N 3.37Å; M442-F446 PolarHBondContact O-N 3.02Å
443K64.8Low78.2Confident101 Ų10171 Ų7144%0.43938%0.378SS..Hα-helixtrans-70.3-39.7174.8-67.2172.4-175.3166.50110.9L439 C440 R445 F446 L447L439-K443 HydrophobicContact CB-CB 4.19Å; L439-K443 HydrophobicContact CD2-CB 4.12Å; L439-K443 HydrophobicContact CD2-CD 3.65Å; L439-K443 HydrophobicContact CD2-CG 4.5Å; C440-K443 WeakPolarHBondContact O-CA 3.29Å; C440-K443 WeakPolarHBondContact O-CB 3.45Å; C440-K443 PolarHBondContact O-N 2.95Å; K443-R445 PolarHBondContact O-N 2.79Å; K443-F446 WeakPolarHBondContact O-CB 3.3Å; K443-F446 PolarHBondContact O-N 2.91Å; K443-F446 VanDerWaalsContact O-N 3.14Å; K443-L447 PolarHBondContact O-N 3.31Å
444I82Confident78.3Confident27 Ų2771 Ų7114%0.13838%0.378CS..Hα-helixtrans-60.7-44.4173.8-58.5-179000110.6W430 R431 A434 L439 C440 F446 L447 S448W430-I444 HydrophobicContact CH2-CG2 4.12Å; W430-I444 WeakPolarHBondContact CH2-O 3.38Å; W430-I444 HydrophobicContact CZ3-CG2 3.81Å; W430-I444 WeakPolarHBondContact CZ3-O 3.29Å; R431-I444 HydrophobicContact CB-CG2 4.08Å; R431-I444 HydrophobicContact CG-CG2 3.83Å; A434-I444 HydrophobicContact CB-CD1 4.19Å; A434-I444 HydrophobicContact CB-CG1 3.93Å; L439-I444 HydrophobicContact CB-CG1 4.06Å; L439-I444 WeakPolarHBondContact O-CD1 3.35Å; C440-I444 PolarHBondContact O-N 3.38Å; C440-I444 VanDerWaalsContact O-N 3.14Å; I444-F446 VanDerWaalsContact C-N 3.34Å; I444-F446 PolarHBondContact O-N 2.74Å; I444-L447 PolarHBondContact O-N 3.1Å; I444-S448 PolarHBondContact O-N 2.85Å
445R81.8Confident78.4Confident195 Ų19571.5 Ų71.574%0.73638%0.382SS*.Hα-helixtrans-63.1-35173.1-75.7174.8177.6-177.1-0.7113.3G441 K443 S448G441-R445 WeakPolarHBondContact O-CB 3.39Å; G441-R445 VanDerWaalsContact O-CG 3.31Å; G441-R445 WeakPolarHBondContact O-CG 3.21Å; G441-R445 PolarHBondContact O-N 3.19Å; K443-R445 PolarHBondContact O-N 2.79Å; R445-S448 PolarHBondContact O-N 2.89Å; R445-S448 PolarHBondContact O-OG 2.87Å
446F75.3Confident78.5Confident136 Ų13669.5 Ų69.560%0.59637%0.369SS*.Hα-helixtrans-67.6-37.1173.5177.9-98.7000112.3M442 K443 I444 S448 C449 Q450M442-F446 PolarHBondContact O-N 3.02Å; K443-F446 WeakPolarHBondContact O-CB 3.3Å; K443-F446 PolarHBondContact O-N 2.91Å; K443-F446 VanDerWaalsContact O-N 3.14Å; I444-F446 VanDerWaalsContact C-N 3.34Å; I444-F446 PolarHBondContact O-N 2.74Å; F446-S448 VanDerWaalsContact C-N 3.32Å; F446-S448 PolarHBondContact O-N 2.84Å; F446-C449 WeakPolarHBondContact O-CB 3.41Å; F446-C449 PolarHBondContact O-N 2.78Å; F446-C449 VanDerWaalsContact O-N 3.12Å; F446-Q450 VanDerWaalsContact CE1-NE2 3.31Å
447L83.8Confident79Confident17 Ų1767.3 Ų67.39%0.08936%0.359CS..Hα-helixtrans-63.5-34.4175.1-74.6173.8000112.4W430 A434 L439 K443 I444 C449 Q450 P453 A456 I457W430-L447 HydrophobicContact CE3-CB 4.32Å; W430-L447 HydrophobicContact CH2-CB 4.22Å; W430-L447 HydrophobicContact CZ3-CB 3.61Å; W430-L447 HydrophobicContact CZ3-CD1 4.47Å; A434-L447 HydrophobicContact CB-CD1 4.39Å; L439-L447 HydrophobicContact CD1-CD1 3.78Å; K443-L447 PolarHBondContact O-N 3.31Å; I444-L447 PolarHBondContact O-N 3.1Å; L447-C449 PolarHBondContact O-N 3.04Å; L447-Q450 HydrophobicContact CD2-CG 4.28Å; L447-Q450 WeakPolarHBondContact O-CB 3.4Å; L447-Q450 WeakPolarHBondContact O-CG 3.42Å; L447-Q450 PolarHBondContact O-N 2.92Å; L447-P453 WeakPolarHBondContact O-CG 3.39Å; L447-A456 HydrophobicContact CD2-CB 3.88Å; L447-I457 HydrophobicContact CD1-CD1 4.07Å
448S85.4Confident79.6Confident70 Ų7066.4 Ų66.449%0.4935%0.354SS..THydrogen-bonded Turntrans-64.5-6.1173.351.30000115.3I444 R445 F446I444-S448 PolarHBondContact O-N 2.85Å; R445-S448 PolarHBondContact O-N 2.89Å; R445-S448 PolarHBondContact O-OG 2.87Å; F446-S448 VanDerWaalsContact C-N 3.32Å; F446-S448 PolarHBondContact O-N 2.84Å
449C82.4Confident80.2Confident102 Ų10268.3 Ų68.369%0.68935%0.346SS*.THydrogen-bonded Turntrans-95-1.1171.7-59.70000113.3F446 L447F446-C449 WeakPolarHBondContact O-CB 3.41Å; F446-C449 PolarHBondContact O-N 2.78Å; F446-C449 VanDerWaalsContact O-N 3.12Å; L447-C449 PolarHBondContact O-N 3.04Å
450Q80.3Confident80.5Confident80 Ų8068.4 Ų68.437%0.37435%0.346SS..SBendtrans-81.8161.7178.7-59.6-57.2-28.300111.9F446 L447 S452 A456F446-Q450 VanDerWaalsContact CE1-NE2 3.31Å; L447-Q450 HydrophobicContact CD2-CG 4.28Å; L447-Q450 WeakPolarHBondContact O-CB 3.4Å; L447-Q450 WeakPolarHBondContact O-CG 3.42Å; L447-Q450 PolarHBondContact O-N 2.92Å; Q450-S452 VanDerWaalsContact C-N 3.29Å; Q450-S452 PolarHBondContact O-N 2.79Å; Q450-A456 HydrophobicContact CB-CB 4.38Å; Q450-A456 HydrophobicContact CG-CB 4.3Å
451R80.6Confident81.4Confident254 Ų25465.4 Ų65.496%0.95833%0.325SS*.SBendtrans-66.4-29.5-178.3-172.2176.9179.1-172.6-2.1113.5
452S90.4Very high82Confident19 Ų1965 Ų6513%0.13331%0.31CS..  trans-146.3108.4164.3166.20000106.8Q417 E421 Q450 A454 A455 A456Q417-S452 PolarHBondContact NE2-OG 2.84Å; E421-S452 WeakPolarHBondContact OE2-CA 3.37Å; E421-S452 WeakPolarHBondContact OE2-CB 3.21Å; E421-S452 PolarHBondContact OE2-OG 3.16Å; Q450-S452 VanDerWaalsContact C-N 3.29Å; Q450-S452 PolarHBondContact O-N 2.79Å; S452-A454 PolarHBondContact O-N 3.28Å; S452-A455 PolarHBondContact O-N 3.25Å; S452-A455 PolarHBondContact OG-N 3.13Å; S452-A455 VanDerWaalsContact OG-N 3.13Å; S452-A456 PolarHBondContact O-N 2.83Å
453P90.7Very high82.1Confident10 Ų1058.9 Ų58.97%0.06528%0.28CS..Hα-helixtrans-64.9-24.8175.5-22.736000112.6E421 W430 L447 I457E421-P453 WeakPolarHBondContact OE1-CD 3.32Å; E421-P453 WeakPolarHBondContact OE2-CD 3.47Å; W430-P453 HydrophobicContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CD2-CB 3.43Å; W430-P453 VanDerWaalsContact CE2-CB 3.41Å; W430-P453 HydrophobicContact CE3-CB 3.74Å; W430-P453 HydrophobicContact CG-CB 3.93Å; W430-P453 HydrophobicContact CH2-CB 4.05Å; W430-P453 HydrophobicContact CZ2-CB 3.74Å; W430-P453 HydrophobicContact CZ2-CG 4.1Å; W430-P453 HydrophobicContact CZ3-CB 4.05Å; L447-P453 WeakPolarHBondContact O-CG 3.39Å; P453-I457 WeakPolarHBondContact O-CG2 3.35Å; P453-I457 PolarHBondContact O-N 3.44Å
454A91.4Very high82.2Confident0 Ų058.3 Ų58.30%028%0.279CS..Hα-helixtrans-70.4-46.8175.100000112.7Q417 L420 E421 W430 S452 A456 I457 L458Q417-A454 HydrophobicContact CG-CB 4.04Å; L420-A454 HydrophobicContact CB-CB 3.91Å; E421-A454 HydrophobicContact CB-CB 3.88Å; E421-A454 WeakPolarHBondContact OE2-CB 3.47Å; E421-A454 PolarHBondContact OE2-N 3.5Å; W430-A454 HydrophobicContact CB-CB 4.31Å; S452-A454 PolarHBondContact O-N 3.28Å; A454-A456 PolarHBondContact O-N 3.25Å; A454-I457 WeakPolarHBondContact O-CG2 3.47Å; A454-I457 PolarHBondContact O-N 2.84Å; A454-L458 WeakPolarHBondContact O-CG 3.43Å; A454-L458 PolarHBondContact O-N 2.87Å; A454-L458 VanDerWaalsContact O-N 3.07Å
455A86.9Confident81.2Confident11 Ų1157.5 Ų57.59%0.09128%0.275CS..Hα-helixtrans-59.4-48.5173.700000110.9F413 Q417 S452 I457 L458 E459F413-A455 HydrophobicContact CE1-CB 3.96Å; F413-A455 HydrophobicContact CZ-CB 3.94Å; Q417-A455 HydrophobicContact CG-CB 4.24Å; S452-A455 PolarHBondContact O-N 3.25Å; S452-A455 PolarHBondContact OG-N 3.13Å; S452-A455 VanDerWaalsContact OG-N 3.13Å; A455-I457 PolarHBondContact O-N 3.3Å; A455-I457 VanDerWaalsContact O-N 3.1Å; A455-L458 PolarHBondContact O-N 3.47Å; A455-E459 WeakPolarHBondContact O-CB 3.23Å; A455-E459 WeakPolarHBondContact O-CG 3.36Å; A455-E459 PolarHBondContact O-N 3.34Å
456A81.9Confident80.6Confident20 Ų2048.8 Ų48.817%0.16525%0.246CC..Hα-helixtrans-63.2-19.4-178.800000114.4L447 Q450 S452 A454 L460L447-A456 HydrophobicContact CD2-CB 3.88Å; Q450-A456 HydrophobicContact CB-CB 4.38Å; Q450-A456 HydrophobicContact CG-CB 4.3Å; S452-A456 PolarHBondContact O-N 2.83Å; A454-A456 PolarHBondContact O-N 3.25Å; A456-L460 WeakPolarHBondContact O-CB 3.32Å
457I88.9Confident80.6Confident0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-92.3-29172.5-164.866.3000113.3W430 L433 A434 L437 L439 L447 P453 A454 A455 L460 F461W430-I457 HydrophobicContact CB-CG2 3.84Å; L433-I457 HydrophobicContact CB-CG1 4.41Å; L433-I457 HydrophobicContact CD2-CG1 3.94Å; L433-I457 HydrophobicContact CD2-CG2 3.83Å; L433-I457 HydrophobicContact CG-CG1 3.95Å; A434-I457 HydrophobicContact CB-CD1 3.62Å; A434-I457 HydrophobicContact CB-CG1 4.05Å; L437-I457 HydrophobicContact CD1-CD1 4.07Å; L437-I457 HydrophobicContact CD1-CG1 4.17Å; L439-I457 HydrophobicContact CD1-CD1 3.42Å; L439-I457 VanDerWaalsContact CD1-CD1 3.42Å; L447-I457 HydrophobicContact CD1-CD1 4.07Å; P453-I457 WeakPolarHBondContact O-CG2 3.35Å; P453-I457 PolarHBondContact O-N 3.44Å; A454-I457 WeakPolarHBondContact O-CG2 3.47Å; A454-I457 PolarHBondContact O-N 2.84Å; A455-I457 PolarHBondContact O-N 3.3Å; A455-I457 VanDerWaalsContact O-N 3.1Å; I457-L460 HydrophobicContact CD1-CB 4.39Å; I457-L460 HydrophobicContact CD1-CD2 3.89Å; I457-L460 PolarHBondContact O-N 2.74Å; I457-F461 PolarHBondContact O-N 2.96Å
458L88Confident80.4Confident0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-71.6-43.9171.9-68.3171.3000111L408 F413 L416 Q417 L420 L433 A454 A455 L460 F461 E462 L471L408-L458 HydrophobicContact CD1-CB 3.96Å; L408-L458 HydrophobicContact CD1-CD2 3.91Å; L408-L458 HydrophobicContact CD1-CG 4.36Å; F413-L458 HydrophobicContact CD2-CB 4.1Å; F413-L458 HydrophobicContact CE2-CB 3.57Å; F413-L458 HydrophobicContact CZ-CB 4Å; L416-L458 HydrophobicContact CB-CD1 3.81Å; L416-L458 HydrophobicContact CB-CD2 4.33Å; Q417-L458 HydrophobicContact CB-CD1 4.18Å; L420-L458 HydrophobicContact CD1-CD1 4.39Å; L420-L458 HydrophobicContact CD1-CD2 3.98Å; L420-L458 HydrophobicContact CD1-CG 4.33Å; L433-L458 HydrophobicContact CD2-CD2 4.26Å; A454-L458 WeakPolarHBondContact O-CG 3.43Å; A454-L458 PolarHBondContact O-N 2.87Å; A454-L458 VanDerWaalsContact O-N 3.07Å; A455-L458 PolarHBondContact O-N 3.47Å; L458-L460 PolarHBondContact O-N 2.97Å; L458-F461 WeakPolarHBondContact O-CA 3.34Å; L458-F461 VanDerWaalsContact O-CB 3.32Å; L458-F461 WeakPolarHBondContact O-CB 3.34Å; L458-F461 PolarHBondContact O-N 3.45Å; L458-E462 PolarHBondContact O-N 3.06Å; L458-L471 HydrophobicContact CD2-CD2 4.23Å
459E82.6Confident80.2Confident105 Ų10543.8 Ų43.849%0.49122%0.219SC..Hα-helixtrans-53.8-42.8168.1-72.2169.7-152.500111.3F413 A455 F461 E462 E463F413-E459 HydrophobicContact CE2-CG 4.26Å; F413-E459 HydrophobicContact CZ-CG 4.09Å; A455-E459 WeakPolarHBondContact O-CB 3.23Å; A455-E459 WeakPolarHBondContact O-CG 3.36Å; A455-E459 PolarHBondContact O-N 3.34Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 3.1Å; E459-E462 PolarHBondContact O-N 3.3Å; E459-E463 WeakPolarHBondContact O-CG 3.41Å; E459-E463 PolarHBondContact O-N 3.18Å
460L78.6Confident80.1Confident15 Ų1543 Ų438%0.07921%0.205CC..Hα-helixtrans-70.5-23.9178.5-175.1146.5000113L437 L439 A456 I457 L458 Q464L437-L460 HydrophobicContact CB-CD2 4.25Å; L437-L460 HydrophobicContact CD1-CD2 4.03Å; L439-L460 HydrophobicContact CD1-CD1 4.1Å; L439-L460 HydrophobicContact CD1-CD2 4.13Å; L439-L460 HydrophobicContact CD2-CD1 4.27Å; A456-L460 WeakPolarHBondContact O-CB 3.32Å; I457-L460 HydrophobicContact CD1-CB 4.39Å; I457-L460 HydrophobicContact CD1-CD2 3.89Å; I457-L460 PolarHBondContact O-N 2.74Å; L458-L460 PolarHBondContact O-N 2.97Å; L460-Q464 WeakPolarHBondContact O-CG 3.38Å; L460-Q464 PolarHBondContact O-N 3.16Å
461F82.5Confident80.3Confident5 Ų539.1 Ų39.12%0.02219%0.187CC..Hα-helixtrans-72.7-42.5170.2-179.5-98.4000111.2L437 I457 L458 E459 Q464 N465 G466 S467 E470 L471 L474L437-F461 HydrophobicContact CD1-CB 4Å; L437-F461 HydrophobicContact CD1-CD2 4.07Å; L437-F461 HydrophobicContact CD2-CD2 3.88Å; L437-F461 HydrophobicContact CD2-CE2 4.42Å; I457-F461 PolarHBondContact O-N 2.96Å; L458-F461 WeakPolarHBondContact O-CA 3.34Å; L458-F461 VanDerWaalsContact O-CB 3.32Å; L458-F461 WeakPolarHBondContact O-CB 3.34Å; L458-F461 PolarHBondContact O-N 3.45Å; E459-F461 VanDerWaalsContact C-N 3.29Å; E459-F461 PolarHBondContact O-N 3.1Å; F461-Q464 CarbonylContact O-C 3.58Å; F461-Q464 PolarHBondContact O-N 3.01Å; F461-N465 PolarHBondContact O-N 3.18Å; F461-G466 VanDerWaalsContact CE1-O 3.3Å; F461-G466 WeakPolarHBondContact CE1-O 3.44Å; F461-G466 VanDerWaalsContact CZ-C 3.47Å; F461-G466 VanDerWaalsContact CZ-CA 3.42Å; F461-G466 PolarHBondContact O-N 3.46Å; F461-G466 VanDerWaalsContact O-N 3.09Å; F461-S467 WeakPolarHBondContact CZ-O 3.24Å; F461-E470 HydrophobicContact CE2-CG 4.28Å; F461-E470 HydrophobicContact CZ-CB 4.25Å; F461-E470 HydrophobicContact CZ-CG 4.42Å; F461-L471 HydrophobicContact CD1-CB 4.49Å; F461-L471 HydrophobicContact CD1-CD1 4.09Å; F461-L471 HydrophobicContact CD1-CD2 4.2Å; F461-L471 HydrophobicContact CD2-CD1 4.01Å; F461-L471 HydrophobicContact CE1-CB 3.68Å; F461-L471 HydrophobicContact CE1-CD1 4.04Å; F461-L471 HydrophobicContact CE1-CD2 4.09Å; F461-L471 HydrophobicContact CE1-CG 4.15Å; F461-L471 HydrophobicContact CE2-CB 4.32Å; F461-L471 HydrophobicContact CE2-CD1 3.94Å; F461-L471 HydrophobicContact CG-CD1 4.07Å; F461-L471 HydrophobicContact CZ-CB 3.56Å; F461-L471 HydrophobicContact CZ-CD1 3.95Å; F461-L471 HydrophobicContact CZ-CG 4.24Å; F461-L474 HydrophobicContact CD2-CD1 4.43Å; F461-L474 HydrophobicContact CE2-CD1 3.93Å
462E79.4Confident80.6Confident39 Ų3929.4 Ų29.418%0.18215%0.152CC..Hα-helixtrans-62.6-41.1170.6-60.1-174.1138.300111.5F341 R407 L408 L458 E459 Q464 N465F341-E462 WeakPolarHBondContact CE1-O 3.36Å; F341-E462 WeakPolarHBondContact CZ-O 3.21Å; R407-E462 VanDerWaalsContact CA-OE1 3.29Å; R407-E462 WeakPolarHBondContact CA-OE1 3.48Å; R407-E462 WeakPolarHBondContact CG-OE1 3.27Å; L408-E462 HydrophobicContact CD1-CG 4.5Å; L408-E462 HydrophobicContact CG-CG 4.36Å; L408-E462 PolarHBondContact N-OE1 2.64Å; L458-E462 PolarHBondContact O-N 3.06Å; E459-E462 PolarHBondContact O-N 3.3Å; E462-Q464 PolarHBondContact O-N 3.06Å; E462-N465 WeakPolarHBondContact O-CA 3.46Å; E462-N465 PolarHBondContact O-N 2.86Å
463E67.4Low80.3Confident30 Ų3035 Ų3514%0.1417%0.172CC..Hα-helixtrans-58.4-33.5173-73.3-161.1158.800112.9H333 F341 R342 E459 N465H333-E463 IonicContact CE1-OE2 3.9Å; H333-E463 PolarHBondContact CE1-OE2 2.87Å; H333-E463 IonicContact ND1-OE1 2.9Å; H333-E463 IonicContact ND1-OE2 3.67Å; H333-E463 PolarHBondContact ND1-OE2 2.88Å; F341-E463 WeakPolarHBondContact CE1-O 3.43Å; R342-E463 IonicContact CZ-OE1 2.89Å; R342-E463 IonicContact NH1-OE1 2.89Å; R342-E463 PolarHBondContact NH1-OE1 3.05Å; R342-E463 IonicContact NH2-OE1 3.55Å; R342-E463 PolarHBondContact NH2-OE1 2.7Å; E459-E463 WeakPolarHBondContact O-CG 3.41Å; E459-E463 PolarHBondContact O-N 3.18Å; E463-N465 PolarHBondContact O-N 3.22Å
464Q65Low80.2Confident90 Ų9035.2 Ų35.242%0.42117%0.172SC..THydrogen-bonded Turntrans-83.85.3175.9-71.7-175.133.400112.6L460 F461 E462 G466L460-Q464 WeakPolarHBondContact O-CG 3.38Å; L460-Q464 PolarHBondContact O-N 3.16Å; F461-Q464 CarbonylContact O-C 3.58Å; F461-Q464 PolarHBondContact O-N 3.01Å; E462-Q464 PolarHBondContact O-N 3.06Å; Q464-G466 PolarHBondContact O-N 2.8Å
465N62.4Low80.2Confident9 Ų935.2 Ų35.25%0.04817%0.172CC..THydrogen-bonded Turntrans61.130.7177.8-153.349.9000113.1N283 H287 F341 N406 F461 E462 E463N283-N465 WeakPolarHBondContact ND2-CB 3.39Å; N283-N465 VanDerWaalsContact ND2-CG 3.34Å; N283-N465 PolarHBondContact ND2-ND2 2.9Å; N283-N465 PolarHBondContact O-ND2 2.84Å; N283-N465 PolarHBondContact OD1-ND2 2.87Å; H287-N465 PolarHBondContact CE1-ND2 3.1Å; H287-N465 PolarHBondContact ND1-ND2 2.85Å; F341-N465 HydrophobicContact CE1-CB 3.86Å; F341-N465 HydrophobicContact CZ-CB 4.23Å; F341-N465 WeakPolarHBondContact CZ-OD1 3.42Å; N406-N465 PolarHBondContact ND2-ND2 2.05Å; N406-N465 PolarHBondContact ND2-OD1 3.01Å; F461-N465 PolarHBondContact O-N 3.18Å; E462-N465 WeakPolarHBondContact O-CA 3.46Å; E462-N465 PolarHBondContact O-N 2.86Å; E463-N465 PolarHBondContact O-N 3.22Å
466G68.1Low80.3Confident12 Ų1237.4 Ų37.412%0.12418%0.184CC..  trans-69.6138.9-177.500000112.7F461 Q464F461-G466 VanDerWaalsContact CE1-O 3.3Å; F461-G466 WeakPolarHBondContact CE1-O 3.44Å; F461-G466 VanDerWaalsContact CZ-C 3.47Å; F461-G466 VanDerWaalsContact CZ-CA 3.42Å; F461-G466 PolarHBondContact O-N 3.46Å; F461-G466 VanDerWaalsContact O-N 3.09Å; Q464-G466 PolarHBondContact O-N 2.8Å
467S75.7Confident80.7Confident25 Ų2539.1 Ų39.118%0.17519%0.193CC..  trans-85.7157.9179.268.80000112.3F461 Q469 E470 L471F461-S467 WeakPolarHBondContact CZ-O 3.24Å; S467-Q469 PolarHBondContact O-N 3.2Å; S467-Q469 PolarHBondContact OG-OE1 2.98Å; S467-E470 PolarHBondContact O-N 3.07Å; S467-E470 VanDerWaalsContact O-N 3.1Å; S467-E470 PolarHBondContact OG-N 3.13Å; S467-E470 VanDerWaalsContact OG-N 3.14Å; S467-L471 PolarHBondContact O-N 3.09Å
468L80.6Confident80.8Confident7 Ų739.1 Ų39.14%0.03719%0.193CC..Hα-helixtrans-56.8-33.3172.3-73.1169.5000112.9L408 L412 L471 H472 I487 Y490 L491L408-L468 HydrophobicContact CD2-CD2 3.62Å; L412-L468 HydrophobicContact CD2-CD2 3.68Å; L468-L471 PolarHBondContact O-N 3.34Å; L468-H472 WeakPolarHBondContact O-CB 3.38Å; L468-H472 PolarHBondContact O-N 3.48Å; L468-I487 HydrophobicContact CB-CG2 4.33Å; L468-I487 HydrophobicContact CD2-CG2 4.27Å; L468-I487 WeakPolarHBondContact O-CG2 3.38Å; L468-Y490 HydrophobicContact CD1-CD1 3.98Å; L468-Y490 HydrophobicContact CD1-CE1 3.9Å; L468-L491 HydrophobicContact CB-CD1 4.32Å; L468-L491 HydrophobicContact CB-CD2 3.89Å; L468-L491 HydrophobicContact CB-CG 4.34Å; L468-L491 HydrophobicContact CD1-CD2 3.97Å
469Q79.4Confident80.8Confident87 Ų8745.7 Ų45.741%0.40722%0.223SC..Hα-helixtrans-68.5-40.5175.5-60.986.6-11.300112.1S467 H472 Y473S467-Q469 PolarHBondContact O-N 3.2Å; S467-Q469 PolarHBondContact OG-OE1 2.98Å; Q469-H472 PolarHBondContact O-N 3.22Å; Q469-Y473 WeakPolarHBondContact O-CB 3.45Å; Q469-Y473 PolarHBondContact O-N 3.13Å
470E80.6Confident81.2Confident84 Ų8442.2 Ų42.239%0.39321%0.206SC..Hα-helixtrans-66.3-41.5174.7-176.458.7-149.500110.6F461 S467 H472 Y473 L474F461-E470 HydrophobicContact CE2-CG 4.28Å; F461-E470 HydrophobicContact CZ-CB 4.25Å; F461-E470 HydrophobicContact CZ-CG 4.42Å; S467-E470 PolarHBondContact O-N 3.07Å; S467-E470 VanDerWaalsContact O-N 3.1Å; S467-E470 PolarHBondContact OG-N 3.13Å; S467-E470 VanDerWaalsContact OG-N 3.14Å; E470-H472 PolarHBondContact O-N 2.92Å; E470-Y473 WeakPolarHBondContact O-CB 3.47Å; E470-Y473 PolarHBondContact O-N 3.38Å; E470-L474 HydrophobicContact CG-CD1 4.3Å; E470-L474 HydrophobicContact CG-CG 4.46Å; E470-L474 WeakPolarHBondContact O-CG 3.31Å; E470-L474 PolarHBondContact O-N 3.25Å
471L85.9Confident81.8Confident0 Ų047.1 Ų47.10%023%0.231CC..Hα-helixtrans-64.1-42.1176.5-161.359.7000111.6L408 L416 L433 L458 F461 S467 L468 Y473 L474 M475 I487L408-L471 HydrophobicContact CD1-CD2 4.27Å; L408-L471 HydrophobicContact CD2-CD2 3.71Å; L416-L471 HydrophobicContact CD1-CD2 3.76Å; L433-L471 HydrophobicContact CD1-CD1 4.18Å; L458-L471 HydrophobicContact CD2-CD2 4.23Å; F461-L471 HydrophobicContact CD1-CB 4.49Å; F461-L471 HydrophobicContact CD1-CD1 4.09Å; F461-L471 HydrophobicContact CD1-CD2 4.2Å; F461-L471 HydrophobicContact CD2-CD1 4.01Å; F461-L471 HydrophobicContact CE1-CB 3.68Å; F461-L471 HydrophobicContact CE1-CD1 4.04Å; F461-L471 HydrophobicContact CE1-CD2 4.09Å; F461-L471 HydrophobicContact CE1-CG 4.15Å; F461-L471 HydrophobicContact CE2-CB 4.32Å; F461-L471 HydrophobicContact CE2-CD1 3.94Å; F461-L471 HydrophobicContact CG-CD1 4.07Å; F461-L471 HydrophobicContact CZ-CB 3.56Å; F461-L471 HydrophobicContact CZ-CD1 3.95Å; F461-L471 HydrophobicContact CZ-CG 4.24Å; S467-L471 PolarHBondContact O-N 3.09Å; L468-L471 PolarHBondContact O-N 3.34Å; L471-Y473 VanDerWaalsContact C-N 3.31Å; L471-Y473 PolarHBondContact O-N 3.01Å; L471-L474 PolarHBondContact O-N 3.07Å; L471-M475 HydrophobicContact CD1-CE 3.68Å; L471-M475 HydrophobicContact CG-CE 4.07Å; L471-M475 WeakPolarHBondContact O-CB 3.39Å; L471-M475 WeakPolarHBondContact O-CG 3.38Å; L471-M475 PolarHBondContact O-N 2.7Å; L471-I487 HydrophobicContact CB-CD1 4.03Å; L471-I487 HydrophobicContact CD2-CD1 4Å; L471-I487 HydrophobicContact CG-CD1 3.75Å
472H86.6Confident82.2Confident50 Ų5050.1 Ų50.123%0.23125%0.248CC..Hα-helixtrans-57.4-44.7172.9176.8-81.2000111.7L468 Q469 E470 M475 T476 A484 I487L468-H472 WeakPolarHBondContact O-CB 3.38Å; L468-H472 PolarHBondContact O-N 3.48Å; Q469-H472 PolarHBondContact O-N 3.22Å; E470-H472 PolarHBondContact O-N 2.92Å; H472-M475 PolarHBondContact O-N 2.87Å; H472-T476 PolarHBondContact CE1-OG1 2.88Å; H472-T476 WeakPolarHBondContact O-CB 3.46Å; H472-T476 PolarHBondContact O-N 2.84Å; H472-T476 PolarHBondContact O-OG1 2.92Å; H472-A484 PolarHBondContact CD2-O 2.9Å; H472-A484 VanDerWaalsContact CD2-O 3.28Å; H472-I487 HydrophobicContact CB-CB 4.38Å; H472-I487 HydrophobicContact CB-CG2 3.88Å
473Y84.1Confident82.8Confident137 Ų13748.3 Ų48.354%0.53724%0.239SC..Hα-helixtrans-61.2-49.4176174.8-110.8000111.7Q469 E470 L471 M475 T476 V477Q469-Y473 WeakPolarHBondContact O-CB 3.45Å; Q469-Y473 PolarHBondContact O-N 3.13Å; E470-Y473 WeakPolarHBondContact O-CB 3.47Å; E470-Y473 PolarHBondContact O-N 3.38Å; L471-Y473 VanDerWaalsContact C-N 3.31Å; L471-Y473 PolarHBondContact O-N 3.01Å; Y473-M475 PolarHBondContact O-N 2.93Å; Y473-T476 WeakPolarHBondContact O-CB 3.43Å; Y473-T476 PolarHBondContact O-N 3.47Å; Y473-T476 VanDerWaalsContact O-N 3.13Å; Y473-V477 HydrophobicContact CD1-CG2 4.42Å; Y473-V477 HydrophobicContact CD2-CG2 4Å; Y473-V477 HydrophobicContact CE1-CG2 4.02Å; Y473-V477 HydrophobicContact CE2-CG2 3.57Å; Y473-V477 HydrophobicContact CG-CG2 4.41Å; Y473-V477 WeakPolarHBondContact O-CG2 3.4Å; Y473-V477 PolarHBondContact O-N 3.08Å
474L87.6Confident83.9Confident13 Ų1347.1 Ų47.17%0.06823%0.234CC..Hα-helixtrans-59.7-42.2176.9-68.8176.7000112.6L433 H436 L437 F461 E470 L471 T476 V477 M478L433-L474 HydrophobicContact CD1-CB 4.48Å; L433-L474 HydrophobicContact CD1-CD1 4.18Å; H436-L474 HydrophobicContact CB-CD2 3.97Å; L437-L474 HydrophobicContact CD2-CD1 3.8Å; F461-L474 HydrophobicContact CD2-CD1 4.43Å; F461-L474 HydrophobicContact CE2-CD1 3.93Å; E470-L474 HydrophobicContact CG-CD1 4.3Å; E470-L474 HydrophobicContact CG-CG 4.46Å; E470-L474 WeakPolarHBondContact O-CG 3.31Å; E470-L474 PolarHBondContact O-N 3.25Å; L471-L474 PolarHBondContact O-N 3.07Å; L474-T476 VanDerWaalsContact C-N 3.33Å; L474-T476 PolarHBondContact O-N 3.44Å; L474-V477 PolarHBondContact O-N 2.86Å; L474-M478 HydrophobicContact CB-CE 4.43Å; L474-M478 WeakPolarHBondContact O-CE 3.32Å; L474-M478 WeakPolarHBondContact O-CG 3.32Å; L474-M478 PolarHBondContact O-N 2.99Å
475M91.6Very high85Confident0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-63.5-39.2175.2-67.4-57.7158.200111.9L420 L433 L471 H472 Y473 M478 E479 R480 C483 A484 I487L420-M475 HydrophobicContact CD1-CE 3.68Å; L420-M475 HydrophobicContact CD2-CE 4.18Å; L420-M475 HydrophobicContact CD2-SD 4.13Å; L420-M475 HydrophobicContact CG-CE 4.49Å; L433-M475 HydrophobicContact CD1-CE 4.22Å; L433-M475 HydrophobicContact CD2-CE 4Å; L471-M475 HydrophobicContact CD1-CE 3.68Å; L471-M475 HydrophobicContact CG-CE 4.07Å; L471-M475 WeakPolarHBondContact O-CB 3.39Å; L471-M475 WeakPolarHBondContact O-CG 3.38Å; L471-M475 PolarHBondContact O-N 2.7Å; H472-M475 PolarHBondContact O-N 2.87Å; Y473-M475 PolarHBondContact O-N 2.93Å; M475-M478 HydrophobicContact CE-CE 4.08Å; M475-M478 WeakPolarHBondContact O-CG 3.28Å; M475-M478 HydrophobicContact SD-CE 3.7Å; M475-M478 HydrophobicContact SD-SD 3.88Å; M475-E479 PolarHBondContact O-N 2.96Å; M475-R480 CarbonylContact O-C 3.53Å; M475-R480 PolarHBondContact O-N 2.82Å; M475-R480 HydrophobicContact SD-CB 4.31Å; M475-C483 HydrophobicContact CB-CB 3.99Å; M475-C483 HydrophobicContact CE-CB 4.5Å; M475-C483 HydrophobicContact CG-CB 3.56Å; M475-C483 HydrophobicContact SD-CB 3.36Å; M475-C483 WeakPolarHBondContact SD-CB 3.46Å; M475-A484 HydrophobicContact CB-CB 3.89Å; M475-I487 HydrophobicContact CG-CD1 3.84Å
476T89Confident86.2Confident57 Ų5745.2 Ų45.235%0.3523%0.232SC..Hα-helixtrans-65.9-44.5174.9-54.50000111.7H472 Y473 L474 M478 E479H472-T476 PolarHBondContact CE1-OG1 2.88Å; H472-T476 WeakPolarHBondContact O-CB 3.46Å; H472-T476 PolarHBondContact O-N 2.84Å; H472-T476 PolarHBondContact O-OG1 2.92Å; Y473-T476 WeakPolarHBondContact O-CB 3.43Å; Y473-T476 PolarHBondContact O-N 3.47Å; Y473-T476 VanDerWaalsContact O-N 3.13Å; L474-T476 VanDerWaalsContact C-N 3.33Å; L474-T476 PolarHBondContact O-N 3.44Å; T476-M478 VanDerWaalsContact C-N 3.34Å; T476-M478 PolarHBondContact O-N 3.35Å; T476-E479 PolarHBondContact O-N 3.25Å
477V89.8Confident87.1Confident57 Ų5744.7 Ų44.735%0.34523%0.226SC..Hα-helixtrans-68.3-30.3-179.8170.90000112.6Y473 L474 E479Y473-V477 HydrophobicContact CD1-CG2 4.42Å; Y473-V477 HydrophobicContact CD2-CG2 4Å; Y473-V477 HydrophobicContact CE1-CG2 4.02Å; Y473-V477 HydrophobicContact CE2-CG2 3.57Å; Y473-V477 HydrophobicContact CG-CG2 4.41Å; Y473-V477 WeakPolarHBondContact O-CG2 3.4Å; Y473-V477 PolarHBondContact O-N 3.08Å; L474-V477 PolarHBondContact O-N 2.86Å; V477-E479 VanDerWaalsContact C-N 3.28Å
478M91.3Very high87.5Confident0 Ų047.8 Ų47.80%024%0.238CC..THydrogen-bonded Turntrans-85.15.2169.876.6177.484.200113.9N428 R432 L433 L474 M475 T476 R480N428-M478 VanDerWaalsContact CG-O 3.28Å; N428-M478 PolarHBondContact ND2-O 2.8Å; N428-M478 PolarHBondContact OD1-O 3.09Å; R432-M478 HydrophobicContact CG-CB 3.94Å; L433-M478 HydrophobicContact CB-CE 3.88Å; L433-M478 HydrophobicContact CD1-CE 3.84Å; L433-M478 HydrophobicContact CG-CE 4.43Å; L474-M478 HydrophobicContact CB-CE 4.43Å; L474-M478 WeakPolarHBondContact O-CE 3.32Å; L474-M478 WeakPolarHBondContact O-CG 3.32Å; L474-M478 PolarHBondContact O-N 2.99Å; M475-M478 HydrophobicContact CE-CE 4.08Å; M475-M478 WeakPolarHBondContact O-CG 3.28Å; M475-M478 HydrophobicContact SD-CE 3.7Å; M475-M478 HydrophobicContact SD-SD 3.88Å; T476-M478 VanDerWaalsContact C-N 3.34Å; T476-M478 PolarHBondContact O-N 3.35Å; M478-R480 HydrophobicContact CG-CB 3.78Å; M478-R480 HydrophobicContact CG-CG 3.65Å; M478-R480 PolarHBondContact O-N 3.45Å; M478-R480 HydrophobicContact SD-CB 4.13Å; M478-R480 HydrophobicContact SD-CG 3.75Å
479E88.7Confident87.7Confident138 Ų13851.2 Ų51.265%0.64526%0.257SS*.THydrogen-bonded Turntrans63.818.2179.9-53.7165.1144.600113.9R432 M475 T476 V477 L481R432-E479 IonicContact NH2-OE2 2.71Å; M475-E479 PolarHBondContact O-N 2.96Å; T476-E479 PolarHBondContact O-N 3.25Å; V477-E479 VanDerWaalsContact C-N 3.28Å; E479-L481 PolarHBondContact O-N 2.7Å
480R91.7Very high87.7Confident32 Ų3251.2 Ų51.212%0.12125%0.254CS..  trans-8568.1171.5-70-59.7-56.8-93.2-2.1110.1L419 N428 M475 M478 D482 C483 A484L419-R480 PolarHBondContact O-NH1 3.43Å; L419-R480 PolarHBondContact O-NH2 3.18Å; N428-R480 PolarHBondContact O-NH1 2.78Å; N428-R480 VanDerWaalsContact O-NH1 3.08Å; M475-R480 CarbonylContact O-C 3.53Å; M475-R480 PolarHBondContact O-N 2.82Å; M475-R480 HydrophobicContact SD-CB 4.31Å; M478-R480 HydrophobicContact CG-CB 3.78Å; M478-R480 HydrophobicContact CG-CG 3.65Å; M478-R480 PolarHBondContact O-N 3.45Å; M478-R480 HydrophobicContact SD-CB 4.13Å; M478-R480 HydrophobicContact SD-CG 3.75Å; R480-D482 VanDerWaalsContact C-OD1 3.22Å; R480-D482 WeakPolarHBondContact CA-OD1 3.45Å; R480-D482 IonicContact CZ-OD1 2.8Å; R480-D482 IonicContact CZ-OD2 2.79Å; R480-D482 IonicContact NE-OD1 2.64Å; R480-D482 PolarHBondContact NE-OD1 2.9Å; R480-D482 IonicContact NE-OD2 3.93Å; R480-D482 PolarHBondContact NE-OD2 2.8Å; R480-D482 IonicContact NH2-OD1 3.16Å; R480-D482 IonicContact NH2-OD2 3.78Å; R480-D482 PolarHBondContact NH2-OD2 3.5Å; R480-D482 PolarHBondContact O-N 3.28Å; R480-C483 HydrophobicContact CB-CB 4.15Å; R480-C483 PolarHBondContact O-N 3.21Å; R480-C483 VanDerWaalsContact O-N 3.13Å; R480-A484 PolarHBondContact O-N 3.34Å
481L91.3Very high87.5Confident117 Ų11750.5 Ų50.561%0.61325%0.252SS*.Hα-helixtrans-63.5-22.2-178.3-58.4-177.7000113.1E479 S485E479-L481 PolarHBondContact O-N 2.7Å; L481-S485 WeakPolarHBondContact O-CB 3.49Å; L481-S485 PolarHBondContact O-N 2.79Å
482D91Very high87Confident69 Ų6953.9 Ų53.937%0.36928%0.276SS..Hα-helixtrans-66.4-49.5170.457-28000111.9R480 S485 A486R480-D482 VanDerWaalsContact C-OD1 3.22Å; R480-D482 WeakPolarHBondContact CA-OD1 3.45Å; R480-D482 IonicContact CZ-OD1 2.8Å; R480-D482 IonicContact CZ-OD2 2.79Å; R480-D482 IonicContact NE-OD1 2.64Å; R480-D482 PolarHBondContact NE-OD1 2.9Å; R480-D482 IonicContact NE-OD2 3.93Å; R480-D482 PolarHBondContact NE-OD2 2.8Å; R480-D482 IonicContact NH2-OD1 3.16Å; R480-D482 IonicContact NH2-OD2 3.78Å; R480-D482 PolarHBondContact NH2-OD2 3.5Å; R480-D482 PolarHBondContact O-N 3.28Å; D482-S485 PolarHBondContact O-N 3.01Å; D482-A486 PolarHBondContact O-N 3.39Å; D482-A486 VanDerWaalsContact O-N 3.07Å
483C91.1Very high85.7Confident0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-65.5-41.5173.4-62.80000111.8L416 L419 M475 R480 A486 I487L416-C483 HydrophobicContact CD2-CB 3.65Å; L419-C483 VanDerWaalsContact CB-SG 3.55Å; M475-C483 HydrophobicContact CB-CB 3.99Å; M475-C483 HydrophobicContact CE-CB 4.5Å; M475-C483 HydrophobicContact CG-CB 3.56Å; M475-C483 HydrophobicContact SD-CB 3.36Å; M475-C483 WeakPolarHBondContact SD-CB 3.46Å; R480-C483 HydrophobicContact CB-CB 4.15Å; R480-C483 PolarHBondContact O-N 3.21Å; R480-C483 VanDerWaalsContact O-N 3.13Å; C483-A486 PolarHBondContact O-N 2.95Å; C483-I487 WeakPolarHBondContact O-CD1 3.4Å; C483-I487 WeakPolarHBondContact O-CG1 3.36Å; C483-I487 PolarHBondContact O-N 2.88Å
484A90Very high83.8Confident5 Ų552.5 Ų52.54%0.04130%0.297CS..Hα-helixtrans-62-44.3176.500000111.3H472 M475 R480 A486 I487 Q488H472-A484 PolarHBondContact CD2-O 2.9Å; H472-A484 VanDerWaalsContact CD2-O 3.28Å; M475-A484 HydrophobicContact CB-CB 3.89Å; R480-A484 PolarHBondContact O-N 3.34Å; A484-A486 PolarHBondContact O-N 3.22Å; A484-I487 PolarHBondContact O-N 3.06Å; A484-Q488 WeakPolarHBondContact O-CB 3.38Å; A484-Q488 PolarHBondContact O-N 3.23Å
485S88.7Confident81.8Confident56 Ų5658.9 Ų58.939%0.39233%0.326SS..Hα-helixtrans-62.8-39.8176.3-179.30000112.4L481 D482 I487 Q488 N489L481-S485 WeakPolarHBondContact O-CB 3.49Å; L481-S485 PolarHBondContact O-N 2.79Å; D482-S485 PolarHBondContact O-N 3.01Å; S485-I487 PolarHBondContact O-N 2.99Å; S485-Q488 PolarHBondContact O-N 3.2Å; S485-N489 WeakPolarHBondContact O-CB 3.45Å; S485-N489 PolarHBondContact O-N 3.29Å; S485-N489 PolarHBondContact O-ND2 3.04Å; S485-N489 PolarHBondContact O-OD1 3.47Å
486A87.1Confident79Confident4 Ų462.7 Ų62.73%0.03337%0.365CS..Hα-helixtrans-57.2-47.8174.600000111.9L412 Q415 D482 C483 A484 N489 Y490L412-A486 HydrophobicContact CD1-CB 3.98Å; Q415-A486 HydrophobicContact CG-CB 4.29Å; D482-A486 PolarHBondContact O-N 3.39Å; D482-A486 VanDerWaalsContact O-N 3.07Å; C483-A486 PolarHBondContact O-N 2.95Å; A484-A486 PolarHBondContact O-N 3.22Å; A486-N489 PolarHBondContact O-N 3.44Å; A486-Y490 PolarHBondContact O-N 2.89Å; A486-Y490 VanDerWaalsContact O-N 3.13Å
487I86.5Confident76Confident0 Ų063.8 Ų63.80%039%0.388CS..Hα-helixtrans-65.9-41.8178.1-59.8159.5000111L412 L416 L468 L471 H472 M475 C483 A484 S485 Y490 L491L412-I487 HydrophobicContact CD1-CG1 4.26Å; L412-I487 HydrophobicContact CD2-CG1 4.32Å; L416-I487 HydrophobicContact CD1-CD1 4.11Å; L416-I487 HydrophobicContact CD1-CG1 3.92Å; L416-I487 HydrophobicContact CD2-CD1 4.1Å; L416-I487 HydrophobicContact CD2-CG1 4.1Å; L468-I487 HydrophobicContact CB-CG2 4.33Å; L468-I487 HydrophobicContact CD2-CG2 4.27Å; L468-I487 WeakPolarHBondContact O-CG2 3.38Å; L471-I487 HydrophobicContact CB-CD1 4.03Å; L471-I487 HydrophobicContact CD2-CD1 4Å; L471-I487 HydrophobicContact CG-CD1 3.75Å; H472-I487 HydrophobicContact CB-CB 4.38Å; H472-I487 HydrophobicContact CB-CG2 3.88Å; M475-I487 HydrophobicContact CG-CD1 3.84Å; C483-I487 WeakPolarHBondContact O-CD1 3.4Å; C483-I487 WeakPolarHBondContact O-CG1 3.36Å; C483-I487 PolarHBondContact O-N 2.88Å; A484-I487 PolarHBondContact O-N 3.06Å; S485-I487 PolarHBondContact O-N 2.99Å; I487-Y490 PolarHBondContact O-N 3.01Å; I487-L491 HydrophobicContact CG2-CD1 3.89Å; I487-L491 HydrophobicContact CG2-CG 4.28Å; I487-L491 WeakPolarHBondContact O-CB 3.11Å; I487-L491 WeakPolarHBondContact O-CG 3.45Å; I487-L491 PolarHBondContact O-N 2.82Å
488Q85.3Confident73Confident90 Ų9066.6 Ų66.642%0.42141%0.41SS..Hα-helixtrans-67.4-35.3179.3-174.260.320.600112.8A484 S485 S492A484-Q488 WeakPolarHBondContact O-CB 3.38Å; A484-Q488 PolarHBondContact O-N 3.23Å; S485-Q488 PolarHBondContact O-N 3.2Å; Q488-S492 WeakPolarHBondContact O-CB 3.46Å; Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.35Å
489N83.5Confident70.3Confident79 Ų7972.8 Ų72.842%0.42245%0.45SS..Hα-helixtrans-66.3-43.3174.4-65.4-13.4000110.5S485 A486 S492 G493 T494S485-N489 WeakPolarHBondContact O-CB 3.45Å; S485-N489 PolarHBondContact O-N 3.29Å; S485-N489 PolarHBondContact O-ND2 3.04Å; S485-N489 PolarHBondContact O-OD1 3.47Å; A486-N489 PolarHBondContact O-N 3.44Å; N489-S492 WeakPolarHBondContact CA-OG 3.38Å; N489-S492 PolarHBondContact O-N 3.22Å; N489-S492 PolarHBondContact O-OG 3.28Å; N489-S492 VanDerWaalsContact O-OG 3.13Å; N489-G493 PolarHBondContact O-N 2.76Å; N489-T494 PolarHBondContact O-N 3.23Å; N489-T494 PolarHBondContact O-OG1 3.36Å; N489-T494 VanDerWaalsContact O-OG1 3.09Å
490Y80.9Confident67.4Low88 Ų8869.7 Ų69.735%0.34546%0.456SS..Hα-helixtrans-61.8-49.3173.2-176.8-93.9000112P409 L412 L468 A486 I487 S492 G493 H495P409-Y490 HydrophobicContact CB-CE2 3.95Å; P409-Y490 HydrophobicContact CG-CD1 4.08Å; P409-Y490 HydrophobicContact CG-CD2 4.05Å; P409-Y490 HydrophobicContact CG-CE1 3.51Å; P409-Y490 HydrophobicContact CG-CE2 3.48Å; P409-Y490 VanDerWaalsContact CG-CE2 3.48Å; P409-Y490 HydrophobicContact CG-CG 4.33Å; P409-Y490 WeakPolarHBondContact CG-OH 3.48Å; L412-Y490 HydrophobicContact CD2-CD1 4.16Å; L412-Y490 HydrophobicContact CD2-CG 4.05Å; L468-Y490 HydrophobicContact CD1-CD1 3.98Å; L468-Y490 HydrophobicContact CD1-CE1 3.9Å; A486-Y490 PolarHBondContact O-N 2.89Å; A486-Y490 VanDerWaalsContact O-N 3.13Å; I487-Y490 PolarHBondContact O-N 3.01Å; Y490-S492 PolarHBondContact O-N 3.07Å; Y490-G493 PolarHBondContact O-N 2.87Å; Y490-H495 AromaticContact CD2-NE2 3.84Å
491L76.3Confident64.4Low68 Ų6873.4 Ų73.436%0.35649%0.486SS..Hα-helixtrans-62.7-26178.5-74.8174.9000113.9L468 I487L468-L491 HydrophobicContact CB-CD1 4.32Å; L468-L491 HydrophobicContact CB-CD2 3.89Å; L468-L491 HydrophobicContact CB-CG 4.34Å; L468-L491 HydrophobicContact CD1-CD2 3.97Å; I487-L491 HydrophobicContact CG2-CD1 3.89Å; I487-L491 HydrophobicContact CG2-CG 4.28Å; I487-L491 WeakPolarHBondContact O-CB 3.11Å; I487-L491 WeakPolarHBondContact O-CG 3.45Å; I487-L491 PolarHBondContact O-N 2.82Å
492S75Confident61.5Low71 Ų7177.2 Ų77.250%0.49750%0.501SS..THydrogen-bonded Turntrans-90.91.8174.857.50000114Q488 N489 Y490 T494Q488-S492 WeakPolarHBondContact O-CB 3.46Å; Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.35Å; N489-S492 WeakPolarHBondContact CA-OG 3.38Å; N489-S492 PolarHBondContact O-N 3.22Å; N489-S492 PolarHBondContact O-OG 3.28Å; N489-S492 VanDerWaalsContact O-OG 3.13Å; Y490-S492 PolarHBondContact O-N 3.07Å; S492-T494 PolarHBondContact O-N 3.03Å
493G59.3Low58.5Low59 Ų5985.1 Ų85.161%0.60853%0.525SS*.THydrogen-bonded Turntrans74.421169.500000115.6N489 Y490 H495N489-G493 PolarHBondContact O-N 2.76Å; Y490-G493 PolarHBondContact O-N 2.87Å; G493-H495 PolarHBondContact O-N 2.83Å
494T44.6Very low55.6Low99 Ų9989.3 Ų89.361%0.60757%0.569SS**  trans-78.838.3-173.625.20000115.2N489 S492 G496N489-T494 PolarHBondContact O-N 3.23Å; N489-T494 PolarHBondContact O-OG1 3.36Å; N489-T494 VanDerWaalsContact O-OG1 3.09Å; S492-T494 PolarHBondContact O-N 3.03Å; T494-G496 VanDerWaalsContact C-N 3.34Å; T494-G496 PolarHBondContact O-N 3.09Å; T494-G496 VanDerWaalsContact O-N 3.13Å
495H44.5Very low52.6Low148 Ų14892.5 Ų92.569%0.68560%0.602SS**  trans-83.474.2166.5-81.3-83.8000111.5Y490 G493Y490-H495 AromaticContact CD2-NE2 3.84Å; G493-H495 PolarHBondContact O-N 2.83Å
496G32.5Very low49.8Very low79 Ų7994.9 Ų94.981%0.81463%0.625SS**  trans-126.498.1172.600000111.4T494T494-G496 VanDerWaalsContact C-N 3.34Å; T494-G496 PolarHBondContact O-N 3.09Å; T494-G496 VanDerWaalsContact O-N 3.13Å
497G26.8Very low47Very low80 Ų80106 Ų10683%0.82567%0.666SS**  trans178.630.9-173.400000119.4
498S26.3Very low44.3Very low116 Ų116117 Ų11781%0.81171%0.71SS**SBendtrans-75.8144.9156.9-94.90000109.5G500S498-G500 PolarHBondContact O-N 3.24Å
499P34.8Very low41.5Very low130 Ų130120.3 Ų120.384%0.84473%0.73SS**PPolyproline II helixtrans-64.5122.7-168.924.5-34000112.1S501P499-S501 PolarHBondContact O-N 2.77Å
500G28.1Very low38.9Very low74 Ų74126.1 Ų126.176%0.76376%0.755SS**PPolyproline II helixtrans-66.8121.5178.600000111.7S498 E502S498-G500 PolarHBondContact O-N 3.24Å; G500-E502 PolarHBondContact O-N 2.9Å
501S28.6Very low36.3Very low109 Ų109125.3 Ų125.376%0.76277%0.773SS**PPolyproline II helixtrans-60.7123.4175.3-177.60000111.2P499 R503P499-S501 PolarHBondContact O-N 2.77Å; S501-R503 PolarHBondContact O-N 2.8Å; S501-R503 VanDerWaalsContact O-N 3.09Å
502E30.8Very low34.2Very low197 Ų197130.2 Ų130.292%0.92180%0.799SS**  trans-67.3106.8175.1-69-166.213700110.7G500G500-E502 PolarHBondContact O-N 2.9Å
503R28.1Very low32.1Very low235 Ų235136.4 Ų136.489%0.88782%0.82SS**  trans-122.1118.1162.8-91-170.1166.8-165.4-3.1110.8S501 G505S501-R503 PolarHBondContact O-N 2.8Å; S501-R503 VanDerWaalsContact O-N 3.09Å; R503-G505 PolarHBondContact O-N 3.33Å
504G30.8Very low30.8Very low89 Ų89141.6 Ų141.692%0.91883%0.833SS**  trans-52.3126.3-166.600000115.6
505G26.6Very low30.1Very low71 Ų71144.5 Ų144.573%0.73285%0.845SS**  trans-106.8103.6157.800000108.9R503 R507R503-G505 PolarHBondContact O-N 3.33Å; G505-R507 PolarHBondContact O-N 3.43Å
506A29.1Very low29.5Very low107 Ų107145.6 Ų145.688%0.88485%0.85SS**  trans-62.7126.3-177.300000111.4
507R29.3Very low29.5Very low236 Ų236150.9 Ų150.989%0.89185%0.851SS**  trans-107138.6164.9-75.7-173.2170.3-176.1-2.1109.1G505G505-R507 PolarHBondContact O-N 3.43Å
508Y28.2Very low29.8Very low232 Ų232159 Ų15991%0.9187%0.874SS**  trans-62.1138.5-178-101.9-117.3000111.5
509N27.5Very low30Very low160 Ų160161.1 Ų161.186%0.85688%0.877SS**  trans-68.2132.2166.1-70.9-21.3000109.5
510Q29Very low29.7Very low201 Ų201162.7 Ų162.794%0.93988%0.878SS**  trans-144.2108.2161.4-142.6175.613.900108.4
511G26.7Very low29.8Very low71 Ų71167.7 Ų167.773%0.73289%0.885SS**  trans175.1126.7-177.100000112.8
512L31.2Very low29.9Very low170 Ų170171.1 Ų171.189%0.8989%0.892SS**  trans66.289.2161.2-53.4173.5000116.3
513E30.4Very low29.8Very low202 Ų202169.5 Ų169.594%0.94489%0.89SS**  trans-62137.5143.4-67.3173.6126.100108.8
514L32.5Very low30Very low168 Ų168165.1 Ų165.188%0.8889%0.891SS**  trans-104.5120172.3-86.2162.1000108.1
515D31Very low29.9Very low160 Ų160170.6 Ų170.686%0.85689%0.889SS**  trans-90.1115.1-179.6-155.9-0.1000109.8
516E31.7Very low30.1Very low171 Ų171178.2 Ų178.280%0.79990%0.901SS**  trans-84.9118.3178.3-72.8-170.6135.400111.6
517K32.9Very low30.2Very low190 Ų190184.2 Ų184.283%0.82690%0.902SS**  trans-167.7139.2143.9-103.3134.3-156.4148.60114.6
518L32.5Very low30.3Very low249 Ų249179.5 Ų179.5100%1.30490%0.903SS**  trans69.80165.6-63.9165.7000116

Retrieved 518 of 518 residues in 330.4 ms (Link to these results)