A0A060VRR2_ONCMY Loading...

Ribosome biogenesis protein NSA2 homolog

Involved in the biogenesis of the 60S ribosomal subunit. May play a part in the quality control of pre-60S particles.

AlphaFold DB , UniProt , Accession A0A060VRR2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523366, Length 265 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
1M41.3Very low66.1Low242 Ų242145.6 Ų145.6100%1.19277%0.771SS**  0101.40-85.2-175.1165.600108.1
2C42.3Very low68Low134 Ų134142.2 Ų142.291%0.90575%0.751SS**  trans-89.4108.7172.7-69.40000108.3L4C2-L4 PolarHBondContact O-N 2.83Å
3L50.8Low69.6Low167 Ų167138.4 Ų138.487%0.87473%0.727SS**  trans-64118.9167.5-74.6157000107.7
4L55.1Low71.1Confident160 Ų160133.6 Ų133.684%0.83870%0.702SS**  trans-60.3126.9170.6-74.9165.3000108.2C2 Q6C2-L4 PolarHBondContact O-N 2.83Å; L4-Q6 PolarHBondContact O-N 2.74Å; L4-Q6 VanDerWaalsContact O-N 3.09Å
5P60.8Low72.4Confident120 Ų120132 Ų13278%0.77969%0.688SS**  trans-64.3115.1179.324.5-30.8000109
6Q64.4Low73.7Confident181 Ų181131.8 Ų131.885%0.84668%0.676SS**PPolyproline II helixtrans-71.4133.6171.1-78.5-176.1-22.600108.9L4 Q8L4-Q6 PolarHBondContact O-N 2.74Å; L4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-Q8 PolarHBondContact O-N 2.73Å
7P76.4Confident74.8Confident89 Ų89133.5 Ų133.558%0.57868%0.677SS**PPolyproline II helixtrans-64.5137.1179.326.8-33.6000110.5H11P7-H11 VanDerWaalsContact CB-CE1 3.48Å; P7-H11 WeakPolarHBondContact CB-CE1 3.02Å; P7-H11 VanDerWaalsContact CG-CE1 3.47Å; P7-H11 WeakPolarHBondContact CG-CE1 3.12Å
8Q76.6Confident75.8Confident165 Ų165136.4 Ų136.477%0.77168%0.678SS**PPolyproline II helixtrans-78.9132.1-174.7-152.8171.79.900110.8Q6Q6-Q8 PolarHBondContact O-N 2.73Å
9N84.6Confident76.7Confident133 Ų133136.4 Ų136.471%0.71168%0.676SS**SBendtrans57.3-167.9176-55.9-22.9000115.2H11N9-H11 PolarHBondContact O-N 2.91Å; N9-H11 PolarHBondContact O-ND1 3.36Å
10E87.4Confident77.4Confident125 Ų125131.3 Ų131.358%0.58466%0.66SS**SBendtrans-78.255.9175.5-61.8-167.2163.500112.9I12 E13 L14E10-I12 PolarHBondContact O-N 3.33Å; E10-I12 VanDerWaalsContact O-N 3.12Å; E10-E13 HydrophobicContact CB-CB 4.24Å; E10-E13 HydrophobicContact CB-CG 4.33Å; E10-E13 PolarHBondContact O-N 2.96Å; E10-L14 PolarHBondContact O-N 3.09Å
11H86.9Confident78.2Confident86 Ų86129.4 Ų129.440%0.39865%0.649SS.*Hα-helixtrans-54.7-30.7-178.566.2-75000113.9P7 N9 H15P7-H11 VanDerWaalsContact CB-CE1 3.48Å; P7-H11 WeakPolarHBondContact CB-CE1 3.02Å; P7-H11 VanDerWaalsContact CG-CE1 3.47Å; P7-H11 WeakPolarHBondContact CG-CE1 3.12Å; N9-H11 PolarHBondContact O-N 2.91Å; N9-H11 PolarHBondContact O-ND1 3.36Å; H11-H15 VanDerWaalsContact O-CB 3.28Å; H11-H15 WeakPolarHBondContact O-CB 3.46Å; H11-H15 PolarHBondContact O-N 3.09Å
12I89.2Confident80.6Confident104 Ų104126.1 Ų126.153%0.53362%0.623SS.*Hα-helixtrans-68.9-41.6176.7-63.1173.6000111.7E10 R16E10-I12 PolarHBondContact O-N 3.33Å; E10-I12 VanDerWaalsContact O-N 3.12Å; I12-R16 WeakPolarHBondContact O-CG 3.03Å; I12-R16 PolarHBondContact O-N 2.89Å
13E89.3Confident83.1Confident93 Ų93128.3 Ų128.344%0.43563%0.625SS.*Hα-helixtrans-68.8-42.6176.2-65.9-150.2165.100111.1E10 H15 R16 K17E10-E13 HydrophobicContact CB-CB 4.24Å; E10-E13 HydrophobicContact CB-CG 4.33Å; E10-E13 PolarHBondContact O-N 2.96Å; E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 PolarHBondContact O-N 3.3Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-R16 VanDerWaalsContact O-N 3.16Å; E13-K17 WeakPolarHBondContact O-CG 3.13Å; E13-K17 PolarHBondContact O-N 2.97Å
14L90.3Very high85.2Confident72 Ų72122.3 Ų122.338%0.37759%0.594SS.*Hα-helixtrans-59.2-43.5175-70.6172.8000111.5E10 R16 K17 R18E10-L14 PolarHBondContact O-N 3.09Å; L14-R16 PolarHBondContact O-N 3.5Å; L14-K17 PolarHBondContact O-N 3.47Å; L14-R18 WeakPolarHBondContact O-CB 3.45Å; L14-R18 VanDerWaalsContact O-CG 3.31Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 3.12Å
15H91.2Very high87Confident109 Ų109118 Ų11851%0.50557%0.569SS.*Hα-helixtrans-61.4-43.4174.7-178.6-76.6000111.6H11 E13 K17 R18 H19H11-H15 VanDerWaalsContact O-CB 3.28Å; H11-H15 WeakPolarHBondContact O-CB 3.46Å; H11-H15 PolarHBondContact O-N 3.09Å; E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 PolarHBondContact O-N 3.3Å; H15-K17 VanDerWaalsContact C-N 3.33Å; H15-K17 PolarHBondContact O-N 3.16Å; H15-R18 PolarHBondContact O-N 3.02Å; H15-H19 AromaticContact CD2-CD2 3.69Å; H15-H19 AromaticContact NE2-CD2 3.79Å; H15-H19 PolarHBondContact O-N 3.44Å
16R92Very high88.7Confident129 Ų129119.9 Ų119.949%0.48757%0.567SS.*Hα-helixtrans-64.3-35.1175.5-77.6178.5174.1177.41113.1I12 E13 L14 G20 Q21I12-R16 WeakPolarHBondContact O-CG 3.03Å; I12-R16 PolarHBondContact O-N 2.89Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-R16 VanDerWaalsContact O-N 3.16Å; L14-R16 PolarHBondContact O-N 3.5Å; R16-G20 WeakPolarHBondContact CA-O 3.48Å; R16-G20 CarbonylContact O-C 3.55Å; R16-G20 WeakPolarHBondContact O-CA 3.47Å; R16-G20 PolarHBondContact O-N 2.94Å; R16-Q21 HydrophobicContact CG-CG 4.14Å
17K92.9Very high90.1Very high160 Ų160115.8 Ų115.870%0.69655%0.548SS*.Hα-helixtrans-70-39.6175.6-71.2174.8-172172.80111.8E13 L14 H15E13-K17 WeakPolarHBondContact O-CG 3.13Å; E13-K17 PolarHBondContact O-N 2.97Å; L14-K17 PolarHBondContact O-N 3.47Å; H15-K17 VanDerWaalsContact C-N 3.33Å; H15-K17 PolarHBondContact O-N 3.16Å
18R93.3Very high91.1Very high186 Ų186118.1 Ų118.170%0.70255%0.546SS*.Hα-helixtrans-78.7-45.2-178-69.9176.3-173.8-179.91.5113.8L14 H15L14-R18 WeakPolarHBondContact O-CB 3.45Å; L14-R18 VanDerWaalsContact O-CG 3.31Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 3.12Å; H15-R18 PolarHBondContact O-N 3.02Å
19H93.1Very high92Very high136 Ų136115.8 Ų115.863%0.6353%0.533SS*.Hα-helixtrans-114.50.9-170.9-57-67000113H15H15-H19 AromaticContact CD2-CD2 3.69Å; H15-H19 AromaticContact NE2-CD2 3.79Å; H15-H19 PolarHBondContact O-N 3.44Å
20G90.8Very high92.6Very high34 Ų34116.5 Ų116.535%0.35153%0.526SS..  trans73.8-167.3-17800000113.1R16R16-G20 WeakPolarHBondContact CA-O 3.48Å; R16-G20 CarbonylContact O-C 3.55Å; R16-G20 WeakPolarHBondContact O-CA 3.47Å; R16-G20 PolarHBondContact O-N 2.94Å
21Q92.8Very high93Very high92 Ų92115.2 Ų115.243%0.4352%0.518SS..SBendtrans-101168.6169.1-64.3-17911.100109.3R16 L23 H25R16-Q21 HydrophobicContact CG-CG 4.14Å; Q21-L23 PolarHBondContact O-N 3.06Å; Q21-H25 HydrophobicContact CB-CB 4.24Å; Q21-H25 PolarHBondContact OE1-CD2 2.97Å; Q21-H25 PolarHBondContact OE1-NE2 3.42Å
22R92.7Very high93.4Very high173 Ų173118.7 Ų118.765%0.65353%0.532SS*.  trans-53.3135.2171.8-162.9-178.7165.5144.17.8109.9D24 H25R22-D24 WeakPolarHBondContact CD-OD1 3.4Å; R22-D24 WeakPolarHBondContact CG-OD1 3.31Å; R22-D24 IonicContact NE-OD1 2.96Å; R22-D24 PolarHBondContact NE-OD1 3.25Å; R22-D24 IonicContact NE-OD2 3.5Å; R22-D24 IonicContact NH2-OD2 3.99Å; R22-D24 PolarHBondContact O-N 2.88Å; R22-D24 VanDerWaalsContact O-N 3.09Å; R22-H25 WeakPolarHBondContact O-CB 3.28Å; R22-H25 PolarHBondContact O-N 3.46Å
23L93.5Very high93.7Very high180 Ų180118.9 Ų118.994%0.94253%0.531SS*.THydrogen-bonded Turntrans-54.6-33.8-173.2-63.7173000113.2Q21Q21-L23 PolarHBondContact O-N 3.06Å
24D95.4Very high94.1Very high41 Ų41118.7 Ų118.722%0.21954%0.54CS..THydrogen-bonded Turntrans-90.66179.966-8.9000114.4R22 Q26 E27 R28R22-D24 WeakPolarHBondContact CD-OD1 3.4Å; R22-D24 WeakPolarHBondContact CG-OD1 3.31Å; R22-D24 IonicContact NE-OD1 2.96Å; R22-D24 PolarHBondContact NE-OD1 3.25Å; R22-D24 IonicContact NE-OD2 3.5Å; R22-D24 IonicContact NH2-OD2 3.99Å; R22-D24 PolarHBondContact O-N 2.88Å; R22-D24 VanDerWaalsContact O-N 3.09Å; D24-Q26 PolarHBondContact O-N 3.36Å; D24-E27 PolarHBondContact O-N 2.92Å; D24-R28 VanDerWaalsContact CG-NE 3.34Å; D24-R28 WeakPolarHBondContact O-CB 3.38Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 3.45Å; D24-R28 IonicContact OD1-NE 3.73Å; D24-R28 IonicContact OD2-CZ 3.06Å; D24-R28 IonicContact OD2-NE 2.73Å; D24-R28 PolarHBondContact OD2-NE 2.82Å; D24-R28 IonicContact OD2-NH2 2.74Å; D24-R28 PolarHBondContact OD2-NH2 3.07Å
25H94.3Very high94.4Very high70 Ų70122.5 Ų122.532%0.32455%0.549SS..Hα-helixtrans-60-49-174.617985.5000112.4Q21 R22 R28 K29Q21-H25 HydrophobicContact CB-CB 4.24Å; Q21-H25 PolarHBondContact OE1-CD2 2.97Å; Q21-H25 PolarHBondContact OE1-NE2 3.42Å; R22-H25 WeakPolarHBondContact O-CB 3.28Å; R22-H25 PolarHBondContact O-N 3.46Å; H25-R28 PolarHBondContact O-N 3.23Å; H25-K29 WeakPolarHBondContact O-CB 3.32Å; H25-K29 PolarHBondContact O-N 3.37Å
26Q94.8Very high94.5Very high159 Ų159121.4 Ų121.474%0.74354%0.544SS*.Hα-helixtrans-65.1-42.4-177.3-64.8-178-2.200111.1D24 K29 R30D24-Q26 PolarHBondContact O-N 3.36Å; Q26-K29 PolarHBondContact O-N 2.93Å; Q26-R30 WeakPolarHBondContact O-CB 3.44Å; Q26-R30 PolarHBondContact O-N 3.37Å
27E95.1Very high94.7Very high96 Ų96118 Ų11845%0.44954%0.544SS..Hα-helixtrans-62.8-44.1176.5-65.4-151.1142.500112.5D24 K31D24-E27 PolarHBondContact O-N 2.92Å; E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 WeakPolarHBondContact O-CG 3.39Å; E27-K31 PolarHBondContact O-N 2.91Å; E27-K31 IonicContact OE2-NZ 3.96Å
28R96.1Very high94.8Very high138 Ų138117.5 Ų117.552%0.52154%0.543SS..Hα-helixtrans-63.3-43.7177.1-74.6-177.6-174.6-150.82.8111.4D24 H25 K31 K32D24-R28 VanDerWaalsContact CG-NE 3.34Å; D24-R28 WeakPolarHBondContact O-CB 3.38Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 3.45Å; D24-R28 IonicContact OD1-NE 3.73Å; D24-R28 IonicContact OD2-CZ 3.06Å; D24-R28 IonicContact OD2-NE 2.73Å; D24-R28 PolarHBondContact OD2-NE 2.82Å; D24-R28 IonicContact OD2-NH2 2.74Å; D24-R28 PolarHBondContact OD2-NH2 3.07Å; H25-R28 PolarHBondContact O-N 3.23Å; R28-K31 PolarHBondContact O-N 3.15Å; R28-K32 WeakPolarHBondContact O-CB 3.39Å; R28-K32 PolarHBondContact O-N 2.95Å
29K96.3Very high94.9Very high115 Ų115112.9 Ų112.950%0.553%0.53SS..Hα-helixtrans-62-48.9178.4-172.5178.5175.6-1740111.1H25 Q26 K31 K32 E33H25-K29 WeakPolarHBondContact O-CB 3.32Å; H25-K29 PolarHBondContact O-N 3.37Å; Q26-K29 PolarHBondContact O-N 2.93Å; K29-K31 PolarHBondContact O-N 3.44Å; K29-K32 WeakPolarHBondContact O-CB 3.33Å; K29-K32 PolarHBondContact O-N 3.05Å; K29-K32 VanDerWaalsContact O-N 3.14Å; K29-E33 WeakPolarHBondContact CE-OE1 3.49Å; K29-E33 WeakPolarHBondContact O-CG 3.22Å; K29-E33 PolarHBondContact O-N 3.34Å
30R96.4Very high94.9Very high149 Ų149110.1 Ų110.156%0.56251%0.514SS*.Hα-helixtrans-56.4-48.9175.2-174.6-170.770.9-156.8-5.2112Q26 K32 E33 S34Q26-R30 WeakPolarHBondContact O-CB 3.44Å; Q26-R30 PolarHBondContact O-N 3.37Å; R30-K32 VanDerWaalsContact C-N 3.3Å; R30-K32 PolarHBondContact O-N 3.46Å; R30-E33 PolarHBondContact O-N 3.41Å; R30-S34 WeakPolarHBondContact O-CB 3.47Å; R30-S34 PolarHBondContact O-N 3.14Å
31K96.7Very high95Very high97 Ų97111.8 Ų111.842%0.42252%0.52SS..Hα-helixtrans-63-35.8178.3-75173.3179.4167.40111.8E27 R28 K29 R35E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 WeakPolarHBondContact O-CG 3.39Å; E27-K31 PolarHBondContact O-N 2.91Å; E27-K31 IonicContact OE2-NZ 3.96Å; R28-K31 PolarHBondContact O-N 3.15Å; K29-K31 PolarHBondContact O-N 3.44Å; K31-R35 VanDerWaalsContact O-CG 3.22Å; K31-R35 WeakPolarHBondContact O-CG 3.34Å; K31-R35 PolarHBondContact O-N 3.42Å; K31-R35 VanDerWaalsContact O-N 3.15Å
32K96.1Very high95.1Very high159 Ų159112 Ų11269%0.69152%0.521SS*.Hα-helixtrans-68.1-48.1177.6-174.9177.4179.6-178.50112R28 K29 R30 S34 R35 E36R28-K32 WeakPolarHBondContact O-CB 3.39Å; R28-K32 PolarHBondContact O-N 2.95Å; K29-K32 WeakPolarHBondContact O-CB 3.33Å; K29-K32 PolarHBondContact O-N 3.05Å; K29-K32 VanDerWaalsContact O-N 3.14Å; R30-K32 VanDerWaalsContact C-N 3.3Å; R30-K32 PolarHBondContact O-N 3.46Å; K32-S34 VanDerWaalsContact C-N 3.34Å; K32-S34 PolarHBondContact O-N 2.87Å; K32-R35 PolarHBondContact O-N 3.11Å; K32-E36 PolarHBondContact O-N 3.11Å; K32-E36 VanDerWaalsContact O-N 3.11Å
33E95.8Very high95.2Very high109 Ų109108.1 Ų108.151%0.50951%0.509SS..Hα-helixtrans-61.6-42.3178.1-71.3170.7-178.700111.4K29 R30 R35 E36K29-E33 WeakPolarHBondContact CE-OE1 3.49Å; K29-E33 WeakPolarHBondContact O-CG 3.22Å; K29-E33 PolarHBondContact O-N 3.34Å; R30-E33 PolarHBondContact O-N 3.41Å; E33-R35 PolarHBondContact O-N 3.2Å; E33-E36 VanDerWaalsContact O-CB 3.3Å; E33-E36 WeakPolarHBondContact O-CB 3.13Å; E33-E36 PolarHBondContact O-N 3.47Å
34S96Very high95.2Very high89 Ų89101.1 Ų101.162%0.62248%0.477SS*.Hα-helixtrans-60.9-43.2175.4174.50000112.9R30 K32 E36R30-S34 WeakPolarHBondContact O-CB 3.47Å; R30-S34 PolarHBondContact O-N 3.14Å; K32-S34 VanDerWaalsContact C-N 3.34Å; K32-S34 PolarHBondContact O-N 2.87Å; S34-E36 VanDerWaalsContact C-N 3.28Å; S34-E36 PolarHBondContact O-N 3.29Å
35R96.6Very high95.1Very high152 Ų152109.4 Ų109.457%0.57451%0.505SS*.Hα-helixtrans-73-18.9179.1-69.9173.2-160-177.32.9113.8K31 K32 E33 A37 H38 E39K31-R35 VanDerWaalsContact O-CG 3.22Å; K31-R35 WeakPolarHBondContact O-CG 3.34Å; K31-R35 PolarHBondContact O-N 3.42Å; K31-R35 VanDerWaalsContact O-N 3.15Å; K32-R35 PolarHBondContact O-N 3.11Å; E33-R35 PolarHBondContact O-N 3.2Å; R35-A37 PolarHBondContact O-N 2.94Å; R35-H38 PolarHBondContact O-N 3.4Å; R35-H38 VanDerWaalsContact O-N 3.11Å; R35-E39 PolarHBondContact O-N 3.27Å
36E94.8Very high95.2Very high85 Ų85112.8 Ų112.840%0.39752%0.519SS..Hα-helixtrans-60.6-33.8-170.8-158.7-162.9158.400112.6K32 E33 S34 R40K32-E36 PolarHBondContact O-N 3.11Å; K32-E36 VanDerWaalsContact O-N 3.11Å; E33-E36 VanDerWaalsContact O-CB 3.3Å; E33-E36 WeakPolarHBondContact O-CB 3.13Å; E33-E36 PolarHBondContact O-N 3.47Å; S34-E36 VanDerWaalsContact C-N 3.28Å; S34-E36 PolarHBondContact O-N 3.29Å; E36-R40 VanDerWaalsContact O-CB 3.24Å; E36-R40 WeakPolarHBondContact O-CB 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.11Å; E36-R40 PolarHBondContact O-N 3Å; E36-R40 PolarHBondContact O-NE 3.48Å; E36-R40 IonicContact OE1-CZ 3.44Å; E36-R40 IonicContact OE1-NE 3.57Å; E36-R40 IonicContact OE1-NH1 3.77Å; E36-R40 IonicContact OE1-NH2 2.72Å; E36-R40 IonicContact OE2-CZ 3.9Å; E36-R40 IonicContact OE2-NH2 3.96Å; E36-R40 PolarHBondContact OE2-NH2 2.97Å
37A94.6Very high95.2Very high58 Ų58107.9 Ų107.948%0.47950%0.496SS..Hα-helixtrans-64.1-44.4176.900000112.1R35 R40 S41R35-A37 PolarHBondContact O-N 2.94Å; A37-R40 PolarHBondContact O-N 3.38Å; A37-S41 PolarHBondContact O-N 3.13Å; A37-S41 VanDerWaalsContact O-N 3.15Å
38H96.2Very high95.2Very high149 Ų149110.4 Ų110.469%0.6951%0.511SS*.Hα-helixtrans-69-44.4177.1-64.8-66.5000111.7R35 R40 S41 H42R35-H38 PolarHBondContact O-N 3.4Å; R35-H38 VanDerWaalsContact O-N 3.11Å; H38-R40 VanDerWaalsContact C-N 3.27Å; H38-R40 PolarHBondContact O-N 3.49Å; H38-S41 PolarHBondContact O-N 2.88Å; H38-H42 WeakPolarHBondContact O-CB 3.43Å; H38-H42 PolarHBondContact O-N 3.38Å
39E95.1Very high95.2Very high89 Ų89105.9 Ų105.942%0.41651%0.508SS..Hα-helixtrans-58.2-41.5174.6-78.9-163.6-169.500111.7R35 H42 K43R35-E39 PolarHBondContact O-N 3.27Å; E39-H42 PolarHBondContact O-N 3.37Å; E39-K43 VanDerWaalsContact O-CB 3.28Å; E39-K43 WeakPolarHBondContact O-CB 3.25Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 3.36Å; E39-K43 IonicContact OE2-NZ 2.87Å; E39-K43 PolarHBondContact OE2-NZ 2.81Å
40R92.9Very high95.3Very high78 Ų78106.6 Ų106.629%0.29452%0.517SS..Hα-helixtrans-62.7-42.7178.4-81.6179.4-79.6-172.3-8.3112.2E36 A37 H38 A44 Y55E36-R40 VanDerWaalsContact O-CB 3.24Å; E36-R40 WeakPolarHBondContact O-CB 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.11Å; E36-R40 PolarHBondContact O-N 3Å; E36-R40 PolarHBondContact O-NE 3.48Å; E36-R40 IonicContact OE1-CZ 3.44Å; E36-R40 IonicContact OE1-NE 3.57Å; E36-R40 IonicContact OE1-NH1 3.77Å; E36-R40 IonicContact OE1-NH2 2.72Å; E36-R40 IonicContact OE2-CZ 3.9Å; E36-R40 IonicContact OE2-NH2 3.96Å; E36-R40 PolarHBondContact OE2-NH2 2.97Å; A37-R40 PolarHBondContact O-N 3.38Å; H38-R40 VanDerWaalsContact C-N 3.27Å; H38-R40 PolarHBondContact O-N 3.49Å; R40-A44 WeakPolarHBondContact O-CB 3.36Å; R40-A44 PolarHBondContact O-N 2.92Å; R40-A44 VanDerWaalsContact O-N 3.07Å; R40-Y55 WeakPolarHBondContact CA-OH 3.42Å; R40-Y55 PolarHBondContact O-OH 2.83Å
41S93.6Very high95.2Very high69 Ų69107.1 Ų107.148%0.48352%0.523SS..Hα-helixtrans-66-44.1176-178.40000111.6A37 H38 A44 R45A37-S41 PolarHBondContact O-N 3.13Å; A37-S41 VanDerWaalsContact O-N 3.15Å; H38-S41 PolarHBondContact O-N 2.88Å; S41-A44 WeakPolarHBondContact O-CB 3.21Å; S41-A44 PolarHBondContact O-N 3.43Å; S41-R45 WeakPolarHBondContact O-CG 3.28Å; S41-R45 PolarHBondContact O-N 3.03Å; S41-R45 VanDerWaalsContact O-N 3.1Å
42H95.3Very high95.3Very high98 Ų98103.1 Ų103.145%0.45451%0.508SS..Hα-helixtrans-62.9-46.7178-179.2-85.9000112.4H38 E39 A44 R45 K46H38-H42 WeakPolarHBondContact O-CB 3.43Å; H38-H42 PolarHBondContact O-N 3.38Å; E39-H42 PolarHBondContact O-N 3.37Å; H42-A44 VanDerWaalsContact C-N 3.29Å; H42-A44 PolarHBondContact O-N 2.89Å; H42-R45 PolarHBondContact O-N 3.24Å; H42-R45 VanDerWaalsContact O-N 3.13Å; H42-K46 WeakPolarHBondContact CE1-CD 3.24Å; H42-K46 VanDerWaalsContact CE1-CE 3.42Å; H42-K46 WeakPolarHBondContact CE1-CE 3.37Å; H42-K46 WeakPolarHBondContact NE2-CE 3.28Å; H42-K46 PolarHBondContact NE2-NZ 3.27Å; H42-K46 WeakPolarHBondContact O-CB 3.16Å; H42-K46 PolarHBondContact O-N 3.35Å
43K93.9Very high95.3Very high91 Ų91103.3 Ų103.340%0.39651%0.509SS..Hα-helixtrans-56.9-43.4173.7-75.6170.1-173.1161.60110.9E39 R45 K46 M47E39-K43 VanDerWaalsContact O-CB 3.28Å; E39-K43 WeakPolarHBondContact O-CB 3.25Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 3.36Å; E39-K43 IonicContact OE2-NZ 2.87Å; E39-K43 PolarHBondContact OE2-NZ 2.81Å; K43-R45 VanDerWaalsContact C-N 3.31Å; K43-R45 PolarHBondContact O-N 3.15Å; K43-K46 PolarHBondContact O-N 3.37Å; K43-M47 HydrophobicContact CB-CE 3.97Å; K43-M47 VanDerWaalsContact O-CB 3.3Å; K43-M47 WeakPolarHBondContact O-CB 3.47Å; K43-M47 WeakPolarHBondContact O-CE 3.3Å; K43-M47 VanDerWaalsContact O-CG 3.25Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 2.97Å
44A93.5Very high95.3Very high32 Ų32103 Ų10326%0.26451%0.51SS..Hα-helixtrans-59.6-40.3177.500000112.8R40 S41 H42 Y55R40-A44 WeakPolarHBondContact O-CB 3.36Å; R40-A44 PolarHBondContact O-N 2.92Å; R40-A44 VanDerWaalsContact O-N 3.07Å; S41-A44 WeakPolarHBondContact O-CB 3.21Å; S41-A44 PolarHBondContact O-N 3.43Å; H42-A44 VanDerWaalsContact C-N 3.29Å; H42-A44 PolarHBondContact O-N 2.89Å; A44-Y55 HydrophobicContact CB-CD1 4.48Å; A44-Y55 HydrophobicContact CB-CE1 3.75Å
45R93.3Very high95.4Very high216 Ų216100.3 Ų100.382%0.81549%0.487SS*.Hα-helixtrans-79.8-35.5-178.1-66.9176.674.1-179.63.8113.3S41 H42 K43S41-R45 WeakPolarHBondContact O-CG 3.28Å; S41-R45 PolarHBondContact O-N 3.03Å; S41-R45 VanDerWaalsContact O-N 3.1Å; H42-R45 PolarHBondContact O-N 3.24Å; H42-R45 VanDerWaalsContact O-N 3.13Å; K43-R45 VanDerWaalsContact C-N 3.31Å; K43-R45 PolarHBondContact O-N 3.15Å
46K95.8Very high95.3Very high140 Ų14097.8 Ų97.861%0.60948%0.481SS*.Hα-helixtrans-91.1-24.2-173.5-72.7-150.4-178.7-178.50114.5H42 K43H42-K46 WeakPolarHBondContact CE1-CD 3.24Å; H42-K46 VanDerWaalsContact CE1-CE 3.42Å; H42-K46 WeakPolarHBondContact CE1-CE 3.37Å; H42-K46 WeakPolarHBondContact NE2-CE 3.28Å; H42-K46 PolarHBondContact NE2-NZ 3.27Å; H42-K46 WeakPolarHBondContact O-CB 3.16Å; H42-K46 PolarHBondContact O-N 3.35Å; K43-K46 PolarHBondContact O-N 3.37Å
47M94.9Very high95.5Very high56 Ų56101.3 Ų101.328%0.27650%0.495SS..  trans-70.3135.9179.1-75.1-167.3-67.300110.5K43 K51 A52 Y55K43-M47 HydrophobicContact CB-CE 3.97Å; K43-M47 VanDerWaalsContact O-CB 3.3Å; K43-M47 WeakPolarHBondContact O-CB 3.47Å; K43-M47 WeakPolarHBondContact O-CE 3.3Å; K43-M47 VanDerWaalsContact O-CG 3.25Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 2.97Å; M47-K51 HydrophobicContact SD-CB 4.41Å; M47-A52 HydrophobicContact CB-CB 4Å; M47-A52 VanDerWaalsContact O-CB 3.28Å; M47-A52 WeakPolarHBondContact O-CB 3.45Å; M47-Y55 HydrophobicContact CE-CD1 3.35Å; M47-Y55 HydrophobicContact CE-CD2 3.51Å; M47-Y55 HydrophobicContact CE-CE1 3.96Å; M47-Y55 HydrophobicContact CE-CE2 4.1Å; M47-Y55 HydrophobicContact CE-CG 3.07Å
48I95.5Very high95.6Very high149 Ų149103.8 Ų103.876%0.76450%0.497SS*.  trans-122.1153.1-178.6-58.2171.1000109.2
49G96.5Very high95.5Very high44 Ų44100 Ų10045%0.45448%0.476SS..Hα-helixtrans69.2-140.617200000113.8K51 A52 K53G49-K51 VanDerWaalsContact C-N 3.31Å; G49-K51 PolarHBondContact O-N 3.05Å; G49-A52 WeakPolarHBondContact O-CB 3.37Å; G49-A52 PolarHBondContact O-N 3.47Å; G49-K53 PolarHBondContact O-N 3.23Å
50L97.1Very high95.6Very high130 Ų130101.6 Ų101.668%0.68148%0.484SS*.Hα-helixtrans-64.3-34.1-173.7-170.9134.2000112.7A52 K53 L54L50-A52 VanDerWaalsContact C-N 3.35Å; L50-A52 PolarHBondContact O-N 3.25Å; L50-K53 PolarHBondContact O-N 3.45Å; L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.09Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.26Å
51K95.9Very high95.9Very high159 Ų159100.9 Ų100.969%0.69149%0.491SS*.Hα-helixtrans-62.7-41.2176.6-69-177.3178.4178.10111.8M47 G49 L54 Y55M47-K51 HydrophobicContact SD-CB 4.41Å; G49-K51 VanDerWaalsContact C-N 3.31Å; G49-K51 PolarHBondContact O-N 3.05Å; K51-L54 PolarHBondContact O-N 2.93Å; K51-Y55 WeakPolarHBondContact O-CB 3.5Å; K51-Y55 PolarHBondContact O-N 2.93Å
52A97.1Very high96Very high13 Ų13100.4 Ų100.411%0.10748%0.481CS..Hα-helixtrans-63.1-46175.100000111.6M47 G49 L50 L54 Y55 H56M47-A52 HydrophobicContact CB-CB 4Å; M47-A52 VanDerWaalsContact O-CB 3.28Å; M47-A52 WeakPolarHBondContact O-CB 3.45Å; G49-A52 WeakPolarHBondContact O-CB 3.37Å; G49-A52 PolarHBondContact O-N 3.47Å; L50-A52 VanDerWaalsContact C-N 3.35Å; L50-A52 PolarHBondContact O-N 3.25Å; A52-L54 PolarHBondContact O-N 3.07Å; A52-Y55 PolarHBondContact O-N 3.23Å; A52-H56 PolarHBondContact O-CD2 3.03Å; A52-H56 PolarHBondContact O-N 3.1Å
53K96.8Very high96.1Very high163 Ų163102.1 Ų102.171%0.70949%0.487SS*.Hα-helixtrans-59.5-45.7178.5-68.3-177.6178.1-177.60112.1G49 L50 H56 K57G49-K53 PolarHBondContact O-N 3.23Å; L50-K53 PolarHBondContact O-N 3.45Å; K53-H56 PolarHBondContact O-N 3.28Å; K53-K57 WeakPolarHBondContact O-CB 3.4Å; K53-K57 PolarHBondContact O-N 3.48Å
54L97.1Very high96.3Very high103 Ų103101 Ų10154%0.53948%0.484SS..Hα-helixtrans-62.5-44.7176.7-72.4177.1000111.8L50 K51 A52 K57 Q58L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.09Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.26Å; K51-L54 PolarHBondContact O-N 2.93Å; A52-L54 PolarHBondContact O-N 3.07Å; L54-K57 WeakPolarHBondContact O-CB 3.41Å; L54-K57 PolarHBondContact O-N 2.97Å; L54-Q58 PolarHBondContact O-N 3.5Å
55Y96.6Very high96.4Very high33 Ų33105.7 Ų105.713%0.12950%0.501CS..Hα-helixtrans-61.3-46.4178178.9-107.9000112.5R40 A44 M47 K51 A52 K57 Q58 R59R40-Y55 WeakPolarHBondContact CA-OH 3.42Å; R40-Y55 PolarHBondContact O-OH 2.83Å; A44-Y55 HydrophobicContact CB-CD1 4.48Å; A44-Y55 HydrophobicContact CB-CE1 3.75Å; M47-Y55 HydrophobicContact CE-CD1 3.35Å; M47-Y55 HydrophobicContact CE-CD2 3.51Å; M47-Y55 HydrophobicContact CE-CE1 3.96Å; M47-Y55 HydrophobicContact CE-CE2 4.1Å; M47-Y55 HydrophobicContact CE-CG 3.07Å; K51-Y55 WeakPolarHBondContact O-CB 3.5Å; K51-Y55 PolarHBondContact O-N 2.93Å; A52-Y55 PolarHBondContact O-N 3.23Å; Y55-K57 VanDerWaalsContact C-N 3.32Å; Y55-K57 PolarHBondContact O-N 3.42Å; Y55-Q58 PolarHBondContact O-N 3.29Å; Y55-R59 HydrophobicContact CD1-CG 4.28Å; Y55-R59 HydrophobicContact CD2-CG 4.4Å; Y55-R59 HydrophobicContact CE1-CG 4Å; Y55-R59 HydrophobicContact CE2-CG 4.12Å; Y55-R59 HydrophobicContact CG-CG 4.49Å; Y55-R59 VanDerWaalsContact O-CG 3.3Å; Y55-R59 WeakPolarHBondContact O-CG 3.36Å; Y55-R59 PolarHBondContact O-N 2.63Å
56H95.8Very high96.6Very high98 Ų98100.9 Ų100.945%0.45449%0.489SS..Hα-helixtrans-63.9-37.7177.1-70-57.1000112.4A52 K53 R59 H60A52-H56 PolarHBondContact O-CD2 3.03Å; A52-H56 PolarHBondContact O-N 3.1Å; K53-H56 PolarHBondContact O-N 3.28Å; H56-R59 PolarHBondContact O-N 3.05Å; H56-H60 WeakPolarHBondContact O-CB 3.3Å; H56-H60 PolarHBondContact O-N 3.03Å
57K97.3Very high96.7Very high160 Ų160101.5 Ų101.570%0.69649%0.492SS*.Hα-helixtrans-60.7-46.4174.5-173.3178.9-179.2-178.50111.5K53 L54 Y55 H60 S61K53-K57 WeakPolarHBondContact O-CB 3.4Å; K53-K57 PolarHBondContact O-N 3.48Å; L54-K57 WeakPolarHBondContact O-CB 3.41Å; L54-K57 PolarHBondContact O-N 2.97Å; Y55-K57 VanDerWaalsContact C-N 3.32Å; Y55-K57 PolarHBondContact O-N 3.42Å; K57-H60 WeakPolarHBondContact O-CB 3.37Å; K57-H60 PolarHBondContact O-N 2.9Å; K57-S61 PolarHBondContact O-N 3.37Å; K57-S61 VanDerWaalsContact O-N 3.1Å; K57-S61 PolarHBondContact O-OG 3.37Å
58Q96.7Very high96.8Very high109 Ų109105.3 Ų105.351%0.50951%0.507SS..Hα-helixtrans-62-45.5176.3-177.3-177.3-6.700111.8L54 Y55 H60 S61 E62L54-Q58 PolarHBondContact O-N 3.5Å; Y55-Q58 PolarHBondContact O-N 3.29Å; Q58-H60 VanDerWaalsContact C-N 3.27Å; Q58-H60 PolarHBondContact O-N 3.09Å; Q58-S61 WeakPolarHBondContact CA-OG 3.44Å; Q58-S61 PolarHBondContact O-N 2.89Å; Q58-S61 PolarHBondContact O-OG 3.1Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.48Å; Q58-E62 PolarHBondContact NE2-OE1 3.22Å; Q58-E62 WeakPolarHBondContact O-CG 3.36Å; Q58-E62 PolarHBondContact O-N 3.31Å
59R95.7Very high96.9Very high70 Ų70100.9 Ų100.926%0.26449%0.487SS..Hα-helixtrans-63.8-33.8177.8-67.2-60.6-63.8168.1-4.8112.4Y55 H56 E62 K63Y55-R59 HydrophobicContact CD1-CG 4.28Å; Y55-R59 HydrophobicContact CD2-CG 4.4Å; Y55-R59 HydrophobicContact CE1-CG 4Å; Y55-R59 HydrophobicContact CE2-CG 4.12Å; Y55-R59 HydrophobicContact CG-CG 4.49Å; Y55-R59 VanDerWaalsContact O-CG 3.3Å; Y55-R59 WeakPolarHBondContact O-CG 3.36Å; Y55-R59 PolarHBondContact O-N 2.63Å; H56-R59 PolarHBondContact O-N 3.05Å; R59-E62 WeakPolarHBondContact CD-OE2 3.34Å; R59-E62 IonicContact CZ-OE2 3.62Å; R59-E62 IonicContact NE-OE2 3.54Å; R59-E62 IonicContact NH1-OE2 3.56Å; R59-E62 PolarHBondContact NH1-OE2 3.34Å; R59-K63 WeakPolarHBondContact O-CG 3.49Å; R59-K63 PolarHBondContact O-N 3.35Å; R59-K63 VanDerWaalsContact O-N 3.09Å
60H96.9Very high96.8Very high123 Ų123103.4 Ų103.457%0.56949%0.489SS*.Hα-helixtrans-65.9-44.7174.8-177-100.2000111.6H56 K57 Q58 K63 I64H56-H60 WeakPolarHBondContact O-CB 3.3Å; H56-H60 PolarHBondContact O-N 3.03Å; K57-H60 WeakPolarHBondContact O-CB 3.37Å; K57-H60 PolarHBondContact O-N 2.9Å; Q58-H60 VanDerWaalsContact C-N 3.27Å; Q58-H60 PolarHBondContact O-N 3.09Å; H60-K63 PolarHBondContact O-N 3Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.5Å; H60-I64 WeakPolarHBondContact O-CG1 3.38Å; H60-I64 PolarHBondContact O-N 2.75Å; H60-I64 VanDerWaalsContact O-N 3.07Å
61S97.8Very high96.7Very high63 Ų63103.1 Ų103.144%0.44148%0.483SS..Hα-helixtrans-63.7-41.6175.648.20000112.8K57 Q58 K63 I64 Q65K57-S61 PolarHBondContact O-N 3.37Å; K57-S61 VanDerWaalsContact O-N 3.1Å; K57-S61 PolarHBondContact O-OG 3.37Å; Q58-S61 WeakPolarHBondContact CA-OG 3.44Å; Q58-S61 PolarHBondContact O-N 2.89Å; Q58-S61 PolarHBondContact O-OG 3.1Å; S61-K63 PolarHBondContact O-N 3.22Å; S61-I64 PolarHBondContact O-N 3.47Å; S61-Q65 WeakPolarHBondContact O-CB 3.38Å; S61-Q65 PolarHBondContact O-N 2.97Å
62E96.6Very high96.5Very high59 Ų59101 Ų10128%0.27648%0.477SS..Hα-helixtrans-61.6-43.1177.2-72.1168.8-171.100111.6Q58 R59 I64 Q65 M66Q58-E62 WeakPolarHBondContact CG-OE1 3.48Å; Q58-E62 PolarHBondContact NE2-OE1 3.22Å; Q58-E62 WeakPolarHBondContact O-CG 3.36Å; Q58-E62 PolarHBondContact O-N 3.31Å; R59-E62 WeakPolarHBondContact CD-OE2 3.34Å; R59-E62 IonicContact CZ-OE2 3.62Å; R59-E62 IonicContact NE-OE2 3.54Å; R59-E62 IonicContact NH1-OE2 3.56Å; R59-E62 PolarHBondContact NH1-OE2 3.34Å; E62-I64 PolarHBondContact O-N 3.48Å; E62-Q65 PolarHBondContact O-N 3.34Å; E62-M66 WeakPolarHBondContact O-CG 3.25Å; E62-M66 PolarHBondContact O-N 3.37Å
63K96.9Very high96.3Very high134 Ų134105.1 Ų105.158%0.58349%0.494SS*.Hα-helixtrans-62-41.9175-76.4179.8178.7-174.70112R59 H60 S61 K67R59-K63 WeakPolarHBondContact O-CG 3.49Å; R59-K63 PolarHBondContact O-N 3.35Å; R59-K63 VanDerWaalsContact O-N 3.09Å; H60-K63 PolarHBondContact O-N 3Å; S61-K63 PolarHBondContact O-N 3.22Å; K63-K67 WeakPolarHBondContact O-CB 3.43Å; K63-K67 VanDerWaalsContact O-CG 3.29Å; K63-K67 WeakPolarHBondContact O-CG 3.46Å; K63-K67 PolarHBondContact O-N 3.07Å
64I97.6Very high96.1Very high67 Ų67103.1 Ų103.134%0.34449%0.486SS..Hα-helixtrans-64.6-44.4177.2-71.6171.8000110.7H60 S61 E62 K67 K68H60-I64 WeakPolarHBondContact CE1-CD1 3.5Å; H60-I64 WeakPolarHBondContact O-CG1 3.38Å; H60-I64 PolarHBondContact O-N 2.75Å; H60-I64 VanDerWaalsContact O-N 3.07Å; S61-I64 PolarHBondContact O-N 3.47Å; E62-I64 PolarHBondContact O-N 3.48Å; I64-K67 PolarHBondContact O-N 3.4Å; I64-K68 HydrophobicContact CG2-CD 4.24Å; I64-K68 HydrophobicContact CG2-CG 4.47Å; I64-K68 WeakPolarHBondContact O-CG 3.19Å; I64-K68 PolarHBondContact O-N 2.86Å
65Q97.6Very high95.6Very high131 Ų131103.7 Ų103.761%0.61249%0.487SS*.Hα-helixtrans-60-48.8178.6-174.8174.53.100111S61 E62 K67 K68 T69S61-Q65 WeakPolarHBondContact O-CB 3.38Å; S61-Q65 PolarHBondContact O-N 2.97Å; E62-Q65 PolarHBondContact O-N 3.34Å; Q65-K67 VanDerWaalsContact C-N 3.35Å; Q65-K67 PolarHBondContact O-N 3.32Å; Q65-K68 PolarHBondContact O-N 2.98Å; Q65-K68 VanDerWaalsContact O-N 3.15Å; Q65-T69 WeakPolarHBondContact O-CG2 3.32Å; Q65-T69 PolarHBondContact O-N 3.38Å; Q65-T69 PolarHBondContact O-OG1 3.38Å
66M97.2Very high94.9Very high115 Ų115112.1 Ų112.157%0.56752%0.518SS*.Hα-helixtrans-61.5-40.4177.3-70.9-58.8-62.100112.7E62 K68 T69 L70E62-M66 WeakPolarHBondContact O-CG 3.25Å; E62-M66 PolarHBondContact O-N 3.37Å; M66-K68 VanDerWaalsContact C-N 3.35Å; M66-K68 PolarHBondContact O-N 3.42Å; M66-T69 WeakPolarHBondContact CA-OG1 3.49Å; M66-T69 PolarHBondContact O-N 2.88Å; M66-T69 PolarHBondContact O-OG1 3.15Å; M66-L70 WeakPolarHBondContact O-CB 3.29Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.49Å
67K97.6Very high94.3Very high153 Ų153114.7 Ų114.767%0.66553%0.528SS*.Hα-helixtrans-62-42.3174.3-77.2-179.9177.3-168.70111.8K63 I64 Q65 K71K63-K67 WeakPolarHBondContact O-CB 3.43Å; K63-K67 VanDerWaalsContact O-CG 3.29Å; K63-K67 WeakPolarHBondContact O-CG 3.46Å; K63-K67 PolarHBondContact O-N 3.07Å; I64-K67 PolarHBondContact O-N 3.4Å; Q65-K67 VanDerWaalsContact C-N 3.35Å; Q65-K67 PolarHBondContact O-N 3.32Å; K67-K71 WeakPolarHBondContact O-CB 3.43Å; K67-K71 PolarHBondContact O-N 2.98Å
68K97.1Very high93.2Very high135 Ų135111.3 Ų111.359%0.58752%0.521SS*.Hα-helixtrans-64.9-42.6176.5-73.6-178.3178.4-173.10111.7I64 Q65 M66 K71 M72I64-K68 HydrophobicContact CG2-CD 4.24Å; I64-K68 HydrophobicContact CG2-CG 4.47Å; I64-K68 WeakPolarHBondContact O-CG 3.19Å; I64-K68 PolarHBondContact O-N 2.86Å; Q65-K68 PolarHBondContact O-N 2.98Å; Q65-K68 VanDerWaalsContact O-N 3.15Å; M66-K68 VanDerWaalsContact C-N 3.35Å; M66-K68 PolarHBondContact O-N 3.42Å; K68-K71 PolarHBondContact O-N 2.93Å; K68-M72 WeakPolarHBondContact O-CB 3.41Å; K68-M72 VanDerWaalsContact O-CG 3.32Å; K68-M72 WeakPolarHBondContact O-CG 3.29Å; K68-M72 PolarHBondContact O-N 2.92Å
69T96.4Very high91.8Very high57 Ų57115.6 Ų115.635%0.3554%0.538SS..Hα-helixtrans-66.4-40.9179.253.60000112.3Q65 M66 M72 H73Q65-T69 WeakPolarHBondContact O-CG2 3.32Å; Q65-T69 PolarHBondContact O-N 3.38Å; Q65-T69 PolarHBondContact O-OG1 3.38Å; M66-T69 WeakPolarHBondContact CA-OG1 3.49Å; M66-T69 PolarHBondContact O-N 2.88Å; M66-T69 PolarHBondContact O-OG1 3.15Å; T69-M72 HydrophobicContact CG2-CE 4.17Å; T69-M72 PolarHBondContact O-N 3.14Å; T69-H73 WeakPolarHBondContact O-CB 3.41Å; T69-H73 PolarHBondContact O-N 2.92Å
70L95.2Very high90.1Very high96 Ų96120 Ų12050%0.50356%0.562SS.*Hα-helixtrans-62.2-47.5174.2-70.7172000110.9M66 M72 H73 E74M66-L70 WeakPolarHBondContact O-CB 3.29Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.49Å; L70-M72 PolarHBondContact O-N 2.99Å; L70-H73 PolarHBondContact O-N 3.42Å; L70-H73 VanDerWaalsContact O-N 3.14Å; L70-E74 WeakPolarHBondContact O-CG 3.5Å; L70-E74 PolarHBondContact O-N 3Å
71K94.4Very high88.2Confident125 Ų125123.4 Ų123.454%0.54357%0.574SS.*Hα-helixtrans-59.4-44.3176.9-172.5177.1-177.5179.20112.5K67 K68 H73 E74 Q75K67-K71 WeakPolarHBondContact O-CB 3.43Å; K67-K71 PolarHBondContact O-N 2.98Å; K68-K71 PolarHBondContact O-N 2.93Å; K71-H73 VanDerWaalsContact C-N 3.32Å; K71-H73 PolarHBondContact O-N 3.45Å; K71-E74 PolarHBondContact O-N 3.4Å; K71-Q75 HydrophobicContact CG-CG 4.48Å; K71-Q75 WeakPolarHBondContact O-CB 3.4Å; K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 3.19Å
72M92.4Very high86.2Confident115 Ų115127.6 Ų127.657%0.56759%0.592SS**Hα-helixtrans-62.6-39.7176.3-74.4-171.2-59.200111.9K68 T69 L70 R76K68-M72 WeakPolarHBondContact O-CB 3.41Å; K68-M72 VanDerWaalsContact O-CG 3.32Å; K68-M72 WeakPolarHBondContact O-CG 3.29Å; K68-M72 PolarHBondContact O-N 2.92Å; T69-M72 HydrophobicContact CG2-CE 4.17Å; T69-M72 PolarHBondContact O-N 3.14Å; L70-M72 PolarHBondContact O-N 2.99Å; M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 PolarHBondContact O-N 3.46Å
73H93.5Very high84.2Confident99 Ų99131.9 Ų131.946%0.45862%0.617SS.*Hα-helixtrans-68.5-40.3177.8-179.3-106.3000112.3T69 L70 K71 R76 K77T69-H73 WeakPolarHBondContact O-CB 3.41Å; T69-H73 PolarHBondContact O-N 2.92Å; L70-H73 PolarHBondContact O-N 3.42Å; L70-H73 VanDerWaalsContact O-N 3.14Å; K71-H73 VanDerWaalsContact C-N 3.32Å; K71-H73 PolarHBondContact O-N 3.45Å; H73-R76 PolarHBondContact O-N 2.89Å; H73-K77 WeakPolarHBondContact CE1-CE 3.37Å; H73-K77 PolarHBondContact CE1-NZ 3.14Å; H73-K77 WeakPolarHBondContact O-CG 3.39Å; H73-K77 PolarHBondContact O-N 3.39Å; H73-K77 VanDerWaalsContact O-N 3.14Å
74E90.8Very high82.2Confident120 Ų120132.1 Ų132.156%0.56163%0.625SS**Hα-helixtrans-62.4-47.5172.6-72.7169.3-178.300111.6L70 K71 R76 K77 T78L70-E74 WeakPolarHBondContact O-CG 3.5Å; L70-E74 PolarHBondContact O-N 3Å; K71-E74 PolarHBondContact O-N 3.4Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.05Å; E74-K77 WeakPolarHBondContact O-CB 3.44Å; E74-K77 PolarHBondContact O-N 2.92Å; E74-K77 VanDerWaalsContact O-N 3.11Å; E74-T78 PolarHBondContact O-N 3.2Å; E74-T78 PolarHBondContact O-OG1 2.89Å
75Q86.9Confident80.3Confident116 Ų116138.9 Ų138.954%0.54265%0.652SS.*Hα-helixtrans-62.7-34.6176.4-73.3176.9-28.800112.7K71 K77 T78K71-Q75 HydrophobicContact CG-CG 4.48Å; K71-Q75 WeakPolarHBondContact O-CB 3.4Å; K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 3.19Å; Q75-K77 VanDerWaalsContact C-N 3.32Å; Q75-T78 CarbonylContact O-C 3.5Å; Q75-T78 PolarHBondContact O-N 3.5Å
76R83.1Confident78.4Confident209 Ų209138.1 Ų138.179%0.78966%0.656SS**Hα-helixtrans-66.3-35.7174.2-176.3178.1175-179.5-0.4112.1M72 H73 E74M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 PolarHBondContact O-N 3.46Å; H73-R76 PolarHBondContact O-N 2.89Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.05Å
77K81.6Confident76.7Confident152 Ų152137.3 Ų137.366%0.66166%0.659SS**Hα-helixtrans-69.8-35.9176.6-74.6178.8169.8-174.90111.7H73 E74 Q75H73-K77 WeakPolarHBondContact CE1-CE 3.37Å; H73-K77 PolarHBondContact CE1-NZ 3.14Å; H73-K77 WeakPolarHBondContact O-CG 3.39Å; H73-K77 PolarHBondContact O-N 3.39Å; H73-K77 VanDerWaalsContact O-N 3.14Å; E74-K77 WeakPolarHBondContact O-CB 3.44Å; E74-K77 PolarHBondContact O-N 2.92Å; E74-K77 VanDerWaalsContact O-N 3.11Å; Q75-K77 VanDerWaalsContact C-N 3.32Å
78T74.3Confident74.5Confident89 Ų89140 Ų14055%0.54667%0.674SS.*SBendtrans-100.293.7-179-43.30000110.5E74 Q75 Q80E74-T78 PolarHBondContact O-N 3.2Å; E74-T78 PolarHBondContact O-OG1 2.89Å; Q75-T78 CarbonylContact O-C 3.5Å; Q75-T78 PolarHBondContact O-N 3.5Å; T78-Q80 PolarHBondContact O-N 3.16Å
79K67.2Low73Confident200 Ų200136.1 Ų136.187%0.8767%0.673SS**  trans-67.795170.7-70.3-175.9-178.1179.20109.4K81K79-K81 PolarHBondContact O-N 2.79Å
80Q61.1Low71.6Confident163 Ų163136.6 Ų136.676%0.76268%0.682SS**  trans-72125.5165.1-70.2-175.1-2400108.1T78T78-Q80 PolarHBondContact O-N 3.16Å
81K57.6Low70.2Confident193 Ų193134.4 Ų134.484%0.83967%0.673SS**  trans-70.7125.8166.3-74.7-178.9177.4178.90106.9K79 D83K79-K81 PolarHBondContact O-N 2.79Å; K81-D83 PolarHBondContact O-N 3.18Å
82N55.9Low69.4Low152 Ų152131.2 Ų131.281%0.81367%0.665SS**  trans-74114169-72.2-21000107.5D84N82-D84 VanDerWaalsContact C-N 3.31Å
83D53.5Low68.6Low148 Ų148129.4 Ų129.479%0.79167%0.668SS**  trans-85.60.4178.1-88.8-24.3000113.4K81 K85K81-D83 PolarHBondContact O-N 3.18Å; D83-K85 PolarHBondContact O-N 3.05Å
84D54.2Low67.6Low140 Ų140133.2 Ų133.275%0.74968%0.68SS**  trans-80.5107.3-179.3-71.8-32.9000111.6N82 T86N82-D84 VanDerWaalsContact C-N 3.31Å; D84-T86 PolarHBondContact O-N 3.34Å
85K58.3Low66.5Low209 Ų209130.4 Ų130.491%0.90967%0.668SS**SBendtrans-66.8-13.4-179.3-77.4180-179.8176.20114.8D83D83-K85 PolarHBondContact O-N 3.05Å
86T57.5Low65.5Low114 Ų114130 Ų13070%0.69967%0.67SS**SBendtrans-159.6109.3175.529.70000110.8D84D84-T86 PolarHBondContact O-N 3.34Å
87P61.1Low64.5Low98 Ų98127.8 Ų127.864%0.63667%0.673SS**  trans-69.1134.8174.925.9-31.2000110.8G89 A90P87-G89 PolarHBondContact O-N 3.38Å; P87-A90 PolarHBondContact O-N 2.91Å
88E53.1Low63.6Low209 Ų209129.5 Ų129.598%0.97768%0.675SS**THydrogen-bonded Turntrans-55.5113.6169.7-79.7-172.7152.700109.4
89G64.6Low62.9Low55 Ų55134.9 Ų134.957%0.56770%0.695SS**THydrogen-bonded Turntrans115.213.1-173.500000115P87 V91P87-G89 PolarHBondContact O-N 3.38Å; G89-V91 WeakPolarHBondContact O-CG2 3.23Å; G89-V91 PolarHBondContact O-N 3.08Å
90A66.9Low62Low66 Ų66128.7 Ų128.755%0.54569%0.688SS.*  trans-49116.1168.600000111P87 R103P87-A90 PolarHBondContact O-N 2.91Å; A90-R103 PolarHBondContact O-NH2 2.78Å
91V65.8Low61.3Low50 Ų50130 Ų13030%0.30369%0.694SS.*  trans-113.2143.8175.4-156.50000107G89 L95 L96G89-V91 WeakPolarHBondContact O-CG2 3.23Å; G89-V91 PolarHBondContact O-N 3.08Å; V91-L95 HydrophobicContact CB-CB 4.26Å; V91-L95 HydrophobicContact CG1-CB 3.33Å; V91-L95 HydrophobicContact CG1-CD1 3.73Å; V91-L95 HydrophobicContact CG1-CG 4.17Å; V91-L96 HydrophobicContact CB-CD2 4.46Å; V91-L96 WeakPolarHBondContact O-CD2 3.39Å
92P78.4Confident61Low59 Ų59123.5 Ų123.538%0.38367%0.673SS.*  trans-49.9149.1173.9-31.136000112.9Y94 L95 L96P92-Y94 HydrophobicContact CB-CD1 3.71Å; P92-Y94 HydrophobicContact CB-CE1 3.19Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CB-CG 4.47Å; P92-Y94 HydrophobicContact CG-CE1 4.07Å; P92-Y94 PolarHBondContact O-N 3.3Å; P92-L95 WeakPolarHBondContact O-CA 3.43Å; P92-L95 WeakPolarHBondContact O-CB 3.27Å; P92-L95 PolarHBondContact O-N 3.05Å; P92-L96 PolarHBondContact O-N 3.38Å
93A74.5Confident60.5Low77 Ų77122.6 Ų122.664%0.63666%0.658SS**G310 helixtrans-51.5-36.7-171.700000114.2L95 L96A93-L95 PolarHBondContact O-N 3.11Å; A93-L95 VanDerWaalsContact O-N 3.15Å; A93-L96 HydrophobicContact CB-CD1 4.34Å; A93-L96 PolarHBondContact O-N 3.4Å
94Y73.8Confident60.3Low178 Ų178119.6 Ų119.670%0.69865%0.653SS**G310 helixtrans-71.2-1.4178.262.4-94.2000115P92P92-Y94 HydrophobicContact CB-CD1 3.71Å; P92-Y94 HydrophobicContact CB-CE1 3.19Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CB-CG 4.47Å; P92-Y94 HydrophobicContact CG-CE1 4.07Å; P92-Y94 PolarHBondContact O-N 3.3Å
95L67.5Low59.9Low61 Ų61121.9 Ų121.932%0.31966%0.657SS.*G310 helixtrans-124.72.3179.2-75.5168.6000112.7V91 P92 A93V91-L95 HydrophobicContact CB-CB 4.26Å; V91-L95 HydrophobicContact CG1-CB 3.33Å; V91-L95 HydrophobicContact CG1-CD1 3.73Å; V91-L95 HydrophobicContact CG1-CG 4.17Å; P92-L95 WeakPolarHBondContact O-CA 3.43Å; P92-L95 WeakPolarHBondContact O-CB 3.27Å; P92-L95 PolarHBondContact O-N 3.05Å; A93-L95 PolarHBondContact O-N 3.11Å; A93-L95 VanDerWaalsContact O-N 3.15Å
96L65Low59.4Low109 Ų109116.3 Ų116.357%0.57164%0.636SS**THydrogen-bonded Turntrans-68.8-36.4-178.1-72.9173.6000113V91 P92 A93V91-L96 HydrophobicContact CB-CD2 4.46Å; V91-L96 WeakPolarHBondContact O-CD2 3.39Å; P92-L96 PolarHBondContact O-N 3.38Å; A93-L96 HydrophobicContact CB-CD1 4.34Å; A93-L96 PolarHBondContact O-N 3.4Å
97D63.2Low58.9Low162 Ų162113.8 Ų113.887%0.86662%0.618SS**THydrogen-bonded Turntrans-923.5-175.5-61.8-38.4000114.1
98R62.8Low58.2Low187 Ų187112 Ų11271%0.70661%0.608SS**SBendtrans-95.3109.2175-65.6-174.4-178.1-175.3-0.7108.5G100R98-G100 PolarHBondContact O-N 3.06Å
99E58.3Low58Low203 Ų203107.6 Ų107.695%0.94959%0.591SS**  trans-54.5110.3169.7-70.3-172164.200108.9Q101E99-Q101 PolarHBondContact O-N 2.96Å
100G49.4Very low57.6Low70 Ų70108.4 Ų108.472%0.72258%0.581SS**  trans-64.7129.1-152.700000116.3R98 S102R98-G100 PolarHBondContact O-N 3.06Å; G100-S102 PolarHBondContact O-N 2.71Å
101Q45.5Very low57.1Low191 Ų191107.8 Ų107.889%0.89357%0.568SS**  trans-69.4114.7136.3-80.4179.8-1200107.3E99 R103E99-Q101 PolarHBondContact O-N 2.96Å; Q101-R103 PolarHBondContact O-N 3.49Å
102S51.8Low56.8Low56 Ų56112.9 Ų112.939%0.39259%0.586SS.*  trans-62135.3178.845.30000111.3G100 A104 E192 L193G100-S102 PolarHBondContact O-N 2.71Å; S102-A104 PolarHBondContact O-N 2.84Å; S102-E192 PolarHBondContact OG-O 3.1Å; S102-L193 WeakPolarHBondContact O-CD2 3.14Å; S102-L193 WeakPolarHBondContact OG-CA 3.23Å
103R45.4Very low55.8Low132 Ų132116.4 Ų116.450%0.49860%0.597SS.*  trans-36.8109.5-175.7-70.3172.3169.3166.9-1115.3A90 Q101 K105 I106A90-R103 PolarHBondContact O-NH2 2.78Å; Q101-R103 PolarHBondContact O-N 3.49Å; R103-K105 PolarHBondContact O-N 3.47Å; R103-K105 VanDerWaalsContact O-N 3.09Å; R103-I106 HydrophobicContact CB-CD1 4.14Å; R103-I106 HydrophobicContact CB-CG1 4.29Å
104A48.9Very low54.9Low85 Ų85115.8 Ų115.870%0.70258%0.58SS**THydrogen-bonded Turntrans-66.3-1.4166.500000114.9S102S102-A104 PolarHBondContact O-N 2.84Å
105K45.9Very low54Low188 Ų188115.1 Ų115.182%0.81758%0.576SS**THydrogen-bonded Turntrans-97.9-2.8-176.3-104.3178.4179.3176.80115.8R103 L107R103-K105 PolarHBondContact O-N 3.47Å; R103-K105 VanDerWaalsContact O-N 3.09Å; K105-L107 VanDerWaalsContact C-N 3.34Å
106I47.7Very low53.6Low92 Ų92121.6 Ų121.647%0.47260%0.602SS.*SBendtrans-86.6-8.7176.8-60172.4000111.8R103 S108 M110R103-I106 HydrophobicContact CB-CD1 4.14Å; R103-I106 HydrophobicContact CB-CG1 4.29Å; I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 2.68Å; I106-M110 HydrophobicContact CG2-CE 3.63Å
107L47.7Very low53Low62 Ų62122.5 Ų122.533%0.32560%0.603SS.*Hα-helixtrans-67.4-28.3179.5-74.1164.8000113.7K105 I111 E192K105-L107 VanDerWaalsContact C-N 3.34Å; L107-I111 VanDerWaalsContact O-CD1 3.25Å; L107-I111 WeakPolarHBondContact O-CD1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 2.95Å; L107-E192 WeakPolarHBondContact CD2-OE2 3.39Å
108S45.3Very low52.5Low60 Ų60122.9 Ų122.942%0.4260%0.597SS.*Hα-helixtrans-75.1-33-172.158.20000114.5I106I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 2.68Å
109N50.6Low51.6Low117 Ų117119 Ų11963%0.62661%0.605SS**Hα-helixtrans-83.8-30.6178.7-76.2-17.7000112.7I111 K112N109-I111 VanDerWaalsContact C-N 3.34Å; N109-I111 PolarHBondContact O-N 3.13Å; N109-K112 PolarHBondContact O-N 2.72Å
110M55.3Low51.1Low71 Ų71112.2 Ų112.235%0.3559%0.59SS.*Hα-helixtrans-67-31.8172.4-97.3-171.6-87.500112.8I106 K112 Q113 K114I106-M110 HydrophobicContact CG2-CE 3.63Å; M110-K112 VanDerWaalsContact C-N 3.25Å; M110-K112 PolarHBondContact O-N 2.86Å; M110-Q113 PolarHBondContact O-N 3.03Å; M110-Q113 VanDerWaalsContact O-N 3.13Å; M110-K114 WeakPolarHBondContact O-CG 3.3Å; M110-K114 PolarHBondContact O-N 3.09Å
111I56.8Low51.4Low54 Ų54117.7 Ų117.728%0.27759%0.594SS.*Hα-helixtrans-61.2-34.2176.7-71162000111.9L107 N109 R115L107-I111 VanDerWaalsContact O-CD1 3.25Å; L107-I111 WeakPolarHBondContact O-CD1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 2.95Å; N109-I111 VanDerWaalsContact C-N 3.34Å; N109-I111 PolarHBondContact O-N 3.13Å; I111-R115 WeakPolarHBondContact O-CG 3.44Å; I111-R115 PolarHBondContact O-N 2.91Å; I111-R115 VanDerWaalsContact O-N 3.11Å
112K58.2Low52.6Low156 Ų156115.8 Ų115.868%0.67858%0.578SS**Hα-helixtrans-70.1-34.3176.3-75.1-179.7175.7177.30112.2N109 M110N109-K112 PolarHBondContact O-N 2.72Å; M110-K112 VanDerWaalsContact C-N 3.25Å; M110-K112 PolarHBondContact O-N 2.86Å
113Q57.4Low54Low134 Ų134120.8 Ų120.863%0.62660%0.596SS**Hα-helixtrans-72.4-44.6171.5-77172-2600111.7M110 R115 K116 E117M110-Q113 PolarHBondContact O-N 3.03Å; M110-Q113 VanDerWaalsContact O-N 3.13Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.4Å; Q113-K116 PolarHBondContact O-N 3.47Å; Q113-E117 PolarHBondContact O-N 2.72Å
114K57.3Low55.9Low63 Ų63116.9 Ų116.927%0.27459%0.587SS.*Hα-helixtrans-59.7-29.1177.1-72.8-167.1164.8-171.20113.6M110 W122 V265M110-K114 WeakPolarHBondContact O-CG 3.3Å; M110-K114 PolarHBondContact O-N 3.09Å; K114-W122 HydrophobicContact CB-CH2 4.01Å; K114-W122 HydrophobicContact CB-CZ2 4.4Å; K114-W122 HydrophobicContact CD-CH2 3.65Å; K114-W122 HydrophobicContact CD-CZ3 4.2Å; K114-W122 HydrophobicContact CG-CH2 3.75Å; K114-V265 PolarHBondContact NZ-O 3Å; K114-V265 PolarHBondContact NZ-OXT 3.2Å
115R54.1Low57.8Low165 Ų165116.5 Ų116.562%0.62358%0.577SS**Hα-helixtrans-72.4-25.5174.8-79-177-177.3-178.44.1113.7I111 Q113I111-R115 WeakPolarHBondContact O-CG 3.44Å; I111-R115 PolarHBondContact O-N 2.91Å; I111-R115 VanDerWaalsContact O-N 3.11Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.4Å
116K58Low59.9Low196 Ų196109.8 Ų109.885%0.85255%0.55SS*.Hα-helixtrans-82-21.6177.2-84.1-178.9172.1-177.10113.1Q113 K118Q113-K116 PolarHBondContact O-N 3.47Å; K116-K118 PolarHBondContact O-N 3.06Å
117E52.7Low61.8Low128 Ų128109.9 Ų109.960%0.59856%0.556SS**SBendtrans-9317.1-177.8-65.6-176.1145.200114.9Q113 A119 G120Q113-E117 PolarHBondContact O-N 2.72Å; E117-A119 PolarHBondContact O-N 3.49Å; E117-G120 PolarHBondContact O-N 2.84Å
118K53.1Low63.7Low170 Ų170116.2 Ų116.274%0.73958%0.581SS**THydrogen-bonded Turntrans-58.9-3.6-156.7-132.6179.8-177.8-173.70118.3K116K116-K118 PolarHBondContact O-N 3.06Å
119A44.7Very low65.9Low106 Ų106115.1 Ų115.188%0.87657%0.572SS**THydrogen-bonded Turntrans-126.4-1.7-177.100000115.6E117E117-A119 PolarHBondContact O-N 3.49Å
120G47.6Very low67.7Low61 Ų61118.6 Ų118.663%0.62958%0.576SS**THydrogen-bonded Turntrans-103.8-44.5-160.100000119E117E117-G120 PolarHBondContact O-N 2.84Å
121K55.2Low69.2Low185 Ų185119.1 Ų119.180%0.80459%0.592SS**  trans-15345.2-154-63.9-177.7-179.1173.50114.8E123K121-E123 VanDerWaalsContact C-N 3.27Å; K121-E123 PolarHBondContact O-N 3.09Å
122W71.8Confident70.7Confident150 Ų150117.9 Ų117.957%0.56859%0.585SS**  trans-90.168.3172.2-57.4107.2000110.4K114K114-W122 HydrophobicContact CB-CH2 4.01Å; K114-W122 HydrophobicContact CB-CZ2 4.4Å; K114-W122 HydrophobicContact CD-CH2 3.65Å; K114-W122 HydrophobicContact CD-CZ3 4.2Å; K114-W122 HydrophobicContact CG-CH2 3.75Å
123E79.4Confident72.1Confident161 Ų161112 Ų11275%0.75257%0.569SS**  trans-80133.8171.9-67.8-171.6174.400110.1K121K121-E123 VanDerWaalsContact C-N 3.27Å; K121-E123 PolarHBondContact O-N 3.09Å
124V86.3Confident73.7Confident51 Ų51112.6 Ų112.631%0.30957%0.572SS.*  trans-69.3149.3167.2-67.20000109.3L126 P127 L264V124-L126 PolarHBondContact O-N 2.87Å; V124-P127 WeakPolarHBondContact O-CD 3.37Å; V124-L264 HydrophobicContact CB-CD2 4.5Å; V124-L264 HydrophobicContact CG1-CD1 4.07Å; V124-L264 HydrophobicContact CG1-CD2 4.34Å
125P88.9Confident75.2Confident77 Ų77115.4 Ų115.450%0.559%0.594SS.*SBendtrans-51.8-31.5-178.1-29.534.3000115.2Q248 L264P125-Q248 VanDerWaalsContact CD-OE1 3.28Å; P125-L264 HydrophobicContact CG-CD2 4.05Å
126L89.5Confident77Confident47 Ų47111.4 Ų111.425%0.24658%0.583CS.*  trans-120.288.3173.9-64.1173.6000109.9V124 V129 K221 Q248 T250V124-L126 PolarHBondContact O-N 2.87Å; L126-V129 HydrophobicContact CB-CG2 4.28Å; L126-K221 HydrophobicContact CD1-CG 4.22Å; L126-Q248 PolarHBondContact O-NE2 2.92Å; L126-T250 HydrophobicContact CD1-CG2 4.31Å
127P87.4Confident78.6Confident94 Ų94102 Ų10261%0.6154%0.542SS*.SBendtrans-74.3-39.3-176.627.3-32.8000112.2V124V124-P127 WeakPolarHBondContact O-CD 3.37Å
128K88.7Confident80.6Confident195 Ų19596.6 Ų96.685%0.84852%0.517SS*.  trans-118.3124.8179.7-168174.4-176.2176.50109.9
129V90.1Very high82.7Confident37 Ų3794.8 Ų94.822%0.22451%0.509CS..  trans-120152.6175.9-1750000109.4L126 A131 K221L126-V129 HydrophobicContact CB-CG2 4.28Å; V129-A131 PolarHBondContact O-N 2.82Å; V129-K221 HydrophobicContact CG1-CB 4Å; V129-K221 HydrophobicContact CG1-CD 4.4Å; V129-K221 HydrophobicContact CG1-CG 4.01Å
130R89.7Confident85.1Confident189 Ų18992.8 Ų92.871%0.71349%0.486SS*.PPolyproline II helixtrans-52.7125.7171.3176.5177.3167.3177.8-5.7109.6E136R130-E136 IonicContact NH2-OE1 3.66Å; R130-E136 PolarHBondContact NH2-OE1 2.83Å
131A86.8Confident87.4Confident82 Ų8291.6 Ų91.668%0.67847%0.465SS*.PPolyproline II helixtrans-64.5134.2172.100000109.8V129V129-A131 PolarHBondContact O-N 2.82Å
132Q87.6Confident89.3Confident28 Ų2890.8 Ų90.813%0.13146%0.457CS..PPolyproline II helixtrans-95130.8174.9-63-164.4-4.200110.1V137Q132-V137 HydrophobicContact CB-CG2 3.89Å; Q132-V137 VanDerWaalsContact OE1-CG2 3.26Å
133G88.8Confident90.4Very high34 Ų3485.3 Ų85.335%0.35144%0.44SS..PPolyproline II helixtrans-68.6146.6173.500000111.1T135 E136 V137G133-T135 PolarHBondContact O-N 2.78Å; G133-E136 WeakPolarHBondContact O-CB 3.38Å; G133-E136 PolarHBondContact O-N 2.76Å; G133-V137 PolarHBondContact O-N 2.93Å
134E89.6Confident91.1Very high145 Ų14580 Ų8068%0.67843%0.428SS*.Hα-helixtrans-59.2-33178.3-64.6-169.1165.100112.7E136 V137 L138E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.23Å; E134-V137 PolarHBondContact O-N 3.07Å; E134-L138 WeakPolarHBondContact O-CA 3.24Å; E134-L138 WeakPolarHBondContact O-CB 3.34Å; E134-L138 PolarHBondContact O-N 2.85Å
135T90Very high91.5Very high122 Ų12288 Ų8875%0.74846%0.459SS*.Hα-helixtrans-66-31.4177.251.40000112.8G133G133-T135 PolarHBondContact O-N 2.78Å
136E90.8Very high91.7Very high81 Ų8194.3 Ų94.338%0.37947%0.473SS..Hα-helixtrans-73.1-34.6177.7-62.6-176.8167.700111.6R130 G133 E134 T156R130-E136 IonicContact NH2-OE1 3.66Å; R130-E136 PolarHBondContact NH2-OE1 2.83Å; G133-E136 WeakPolarHBondContact O-CB 3.38Å; G133-E136 PolarHBondContact O-N 2.76Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.23Å; E136-T156 PolarHBondContact O-OG1 3.4Å
137V92.6Very high91.9Very high0 Ų096.6 Ų96.60%048%0.482CS..Hα-helixtrans-90.4-36.2-176.1-175.70000112.3Q132 G133 E134 V155 T156 K157 Y213 V218Q132-V137 HydrophobicContact CB-CG2 3.89Å; Q132-V137 VanDerWaalsContact OE1-CG2 3.26Å; G133-V137 PolarHBondContact O-N 2.93Å; E134-V137 PolarHBondContact O-N 3.07Å; V137-V155 WeakPolarHBondContact O-CA 3.49Å; V137-T156 WeakPolarHBondContact CA-OG1 3.45Å; V137-T156 PolarHBondContact O-N 3.47Å; V137-T156 PolarHBondContact O-OG1 2.7Å; V137-K157 HydrophobicContact CB-CG 4.39Å; V137-K157 HydrophobicContact CG1-CG 4.09Å; V137-K157 HydrophobicContact CG2-CG 4.19Å; V137-Y213 HydrophobicContact CB-CE1 4.24Å; V137-Y213 HydrophobicContact CG1-CD1 4.22Å; V137-Y213 HydrophobicContact CG1-CE1 3.76Å; V137-Y213 HydrophobicContact CG1-CE2 4.45Å; V137-Y213 HydrophobicContact CG2-CE2 4.11Å; V137-V218 HydrophobicContact CG1-CG1 4.17Å
138L94.9Very high92.2Very high14 Ų14100.2 Ų100.27%0.07349%0.488CS..EExtended strand (participates in β ladder)trans-120.894.2-171.1-62.7177.2000111.4E134 R153 M154 V155 F175 Y213E134-L138 WeakPolarHBondContact O-CA 3.24Å; E134-L138 WeakPolarHBondContact O-CB 3.34Å; E134-L138 PolarHBondContact O-N 2.85Å; L138-R153 HydrophobicContact CB-CB 4.3Å; L138-R153 HydrophobicContact CD2-CB 4.39Å; L138-M154 CarbonylContact C-O 3.46Å; L138-M154 WeakPolarHBondContact CA-O 3.48Å; L138-V155 HydrophobicContact CD2-CG2 3.94Å; L138-F175 HydrophobicContact CD1-CE1 4.03Å; L138-F175 HydrophobicContact CD2-CD1 4.2Å; L138-F175 HydrophobicContact CD2-CE1 4.46Å; L138-Y213 HydrophobicContact CD1-CE1 4.4Å
139K95.9Very high92.5Very high132 Ų13297.8 Ų97.857%0.57448%0.478SS*.EExtended strand (participates in β ladder)trans-71.8132.3174-178.5176.8-177.8177.10110.8I141 R153 M154 T156K139-I141 PolarHBondContact O-N 3.33Å; K139-R153 CarbonylContact O-C 3.49Å; K139-R153 WeakPolarHBondContact O-CA 3.42Å; K139-M154 HydrophobicContact CB-CB 4.31Å; K139-M154 PolarHBondContact N-O 2.99Å; K139-M154 PolarHBondContact O-N 2.83Å; K139-T156 HydrophobicContact CB-CG2 3.68Å
140V96.2Very high92.7Very high63 Ų6398.2 Ų98.238%0.38249%0.485SS..EExtended strand (participates in β ladder)trans-69.7129.2174.6-178.90000110.2A150V140-A150 HydrophobicContact CG1-CB 3.72Å
141I95.4Very high92.9Very high37 Ų3793.8 Ų93.819%0.1947%0.468CS..EExtended strand (participates in β ladder)trans-105.7123.8168-64.5161.2000108.8K139 T143 K152 M154 I176K139-I141 PolarHBondContact O-N 3.33Å; I141-T143 HydrophobicContact CG2-CG2 4.29Å; I141-K152 HydrophobicContact CB-CB 4.01Å; I141-K152 PolarHBondContact N-O 3.4Å; I141-M154 HydrophobicContact CD1-CB 3.64Å; I141-M154 HydrophobicContact CD1-CE 3.7Å; I141-M154 HydrophobicContact CD1-CG 4.31Å; I141-M154 HydrophobicContact CG1-CB 4.03Å; I141-M154 HydrophobicContact CG1-CE 4.15Å; I141-I176 HydrophobicContact CD1-CB 4.48Å; I141-I176 HydrophobicContact CD1-CD1 3.37Å; I141-I176 HydrophobicContact CD1-CG1 4.46Å
142R95.8Very high93.3Very high168 Ų16891.1 Ų91.163%0.63444%0.441SS*.EExtended strand (participates in β ladder)trans-84.5147.8170.2-66.7179.1179-173.31109.9Q147 K149 A150R142-Q147 HydrophobicContact CB-CB 4.06Å; R142-Q147 WeakPolarHBondContact CB-O 3.46Å; R142-Q147 WeakPolarHBondContact CD-O 3.43Å; R142-Q147 PolarHBondContact O-OE1 3.45Å; R142-K149 CarbonylContact C-O 3.59Å; R142-K149 VanDerWaalsContact CA-O 3.29Å; R142-K149 WeakPolarHBondContact CA-O 3.4Å; R142-A150 HydrophobicContact CG-CB 4.29Å
143T93.5Very high93.7Very high35 Ų3593.5 Ų93.522%0.21545%0.449CS..EExtended strand (participates in β ladder)trans-136.4156.3-175.953.40000111.8I141 K149 K152I141-T143 HydrophobicContact CG2-CG2 4.29Å; T143-K149 PolarHBondContact N-O 2.87Å; T143-K149 PolarHBondContact O-N 2.91Å; T143-K149 WeakPolarHBondContact OG1-CB 3.45Å; T143-K149 PolarHBondContact OG1-O 3.5Å; T143-K149 VanDerWaalsContact OG1-O 3.06Å; T143-K152 HydrophobicContact CG2-CD 3.93Å; T143-K152 HydrophobicContact CG2-CG 4.4Å
144G93.8Very high94Very high50 Ų5095 Ų9552%0.51545%0.448SS..SBendtrans91161.4-178.600000113.4R146 Q147G144-R146 VanDerWaalsContact C-N 3.25Å; G144-R146 PolarHBondContact O-N 2.98Å; G144-Q147 PolarHBondContact O-N 3.06Å; G144-Q147 PolarHBondContact O-NE2 3.46Å
145K94.6Very high94.3Very high218 Ų21888.1 Ų88.195%0.94842%0.416SS*.THydrogen-bonded Turntrans-53.7-40.8-177.2-173174.5-179.1176.30112.9
146R94Very high94.6Very high210 Ų21084.7 Ų84.779%0.79240%0.395SS*.THydrogen-bonded Turntrans-92.43.2178-62.6-176.9177.9177-2.3114.2G144 K148G144-R146 VanDerWaalsContact C-N 3.25Å; G144-R146 PolarHBondContact O-N 2.98Å; R146-K148 HydrophobicContact CB-CG 4.32Å; R146-K148 PolarHBondContact O-N 3.37Å
147Q93.3Very high94.7Very high94 Ų9482 Ų8244%0.43938%0.382SS..  trans54.926.5176.5-61.7-66.8-24.400115.8R142 G144R142-Q147 HydrophobicContact CB-CB 4.06Å; R142-Q147 WeakPolarHBondContact CB-O 3.46Å; R142-Q147 WeakPolarHBondContact CD-O 3.43Å; R142-Q147 PolarHBondContact O-OE1 3.45Å; G144-Q147 PolarHBondContact O-N 3.06Å; G144-Q147 PolarHBondContact O-NE2 3.46Å
148K94.5Very high94.9Very high170 Ų17082.1 Ų82.174%0.73938%0.383SS*.  trans-80.7-16.6-178.2-69.8-170.4173.6-170.40114.2R146R146-K148 HydrophobicContact CB-CG 4.32Å; R146-K148 PolarHBondContact O-N 3.37Å
149K94.1Very high94.9Very high145 Ų14581.5 Ų81.563%0.6338%0.379SS*.EExtended strand (participates in β ladder)trans-100.8118.5-173.6-60.5-62.8-174.1-179.90110.8R142 T143R142-K149 CarbonylContact C-O 3.59Å; R142-K149 VanDerWaalsContact CA-O 3.29Å; R142-K149 WeakPolarHBondContact CA-O 3.4Å; T143-K149 PolarHBondContact N-O 2.87Å; T143-K149 PolarHBondContact O-N 2.91Å; T143-K149 WeakPolarHBondContact OG1-CB 3.45Å; T143-K149 PolarHBondContact OG1-O 3.5Å; T143-K149 VanDerWaalsContact OG1-O 3.06Å
150A94.8Very high94.9Very high45 Ų4576 Ų7637%0.37236%0.355SS..EExtended strand (participates in β ladder)trans-119.634-170.800000114.2V140 R142V140-A150 HydrophobicContact CG1-CB 3.72Å; R142-A150 HydrophobicContact CG-CB 4.29Å
151W93.7Very high94.7Very high97 Ų9773.7 Ų73.737%0.36734%0.341SS..EExtended strand (participates in β ladder)trans-81.6-19.2-173.463.8-82.3000113.9K171 R174W151-K171 WeakPolarHBondContact CH2-O 3.36Å; W151-R174 HydrophobicContact CE3-CB 4.28Å; W151-R174 HydrophobicContact CE3-CG 4.16Å; W151-R174 HydrophobicContact CZ3-CB 4.1Å; W151-R174 HydrophobicContact CZ3-CG 4.48Å; W151-R174 VanDerWaalsContact O-CG 3.31Å; W151-R174 WeakPolarHBondContact O-CG 3.31Å; W151-R174 PolarHBondContact O-NE 3.22Å
152K95.6Very high94.5Very high26 Ų2673.7 Ų73.711%0.11335%0.35CS..EExtended strand (participates in β ladder)trans-86.1144.4-179.6-66.9-166.4175.4-168.50112.1I141 T143 P170 R174 I176I141-K152 HydrophobicContact CB-CB 4.01Å; I141-K152 PolarHBondContact N-O 3.4Å; T143-K152 HydrophobicContact CG2-CD 3.93Å; T143-K152 HydrophobicContact CG2-CG 4.4Å; K152-P170 VanDerWaalsContact CE-O 3.3Å; K152-P170 WeakPolarHBondContact CE-O 3.34Å; K152-P170 PolarHBondContact NZ-O 2.83Å; K152-R174 WeakPolarHBondContact CA-O 3.36Å; K152-I176 HydrophobicContact CB-CD1 4.5Å; K152-I176 HydrophobicContact CD-CD1 4.01Å
153R96.2Very high94.1Very high78 Ų7871.5 Ų71.529%0.29435%0.351SS..EExtended strand (participates in β ladder)trans-127.5126.7179.5-60.9-63176.7141.4-0.9109.9L138 K139 R174 F175 I176L138-R153 HydrophobicContact CB-CB 4.3Å; L138-R153 HydrophobicContact CD2-CB 4.39Å; K139-R153 CarbonylContact O-C 3.49Å; K139-R153 WeakPolarHBondContact O-CA 3.42Å; R153-R174 PolarHBondContact N-O 2.88Å; R153-F175 HydrophobicContact CB-CD1 3.9Å; R153-F175 HydrophobicContact CB-CE1 4.14Å; R153-F175 HydrophobicContact CG-CE1 4.33Å; R153-F175 CarbonylContact O-C 3.53Å; R153-F175 WeakPolarHBondContact O-CA 3.47Å; R153-I176 PolarHBondContact O-N 2.81Å
154M95.7Very high94Very high65 Ų6577.5 Ų77.532%0.3238%0.382SS..EExtended strand (participates in β ladder)trans-95.1130.8172.9-164-176.9-75.700109.5L138 K139 I141 T156 I176L138-M154 CarbonylContact C-O 3.46Å; L138-M154 WeakPolarHBondContact CA-O 3.48Å; K139-M154 HydrophobicContact CB-CB 4.31Å; K139-M154 PolarHBondContact N-O 2.99Å; K139-M154 PolarHBondContact O-N 2.83Å; I141-M154 HydrophobicContact CD1-CB 3.64Å; I141-M154 HydrophobicContact CD1-CE 3.7Å; I141-M154 HydrophobicContact CD1-CG 4.31Å; I141-M154 HydrophobicContact CG1-CB 4.03Å; I141-M154 HydrophobicContact CG1-CE 4.15Å; M154-T156 PolarHBondContact O-N 3.35Å; M154-I176 HydrophobicContact CG-CG2 4.45Å
155V95.6Very high93.8Very high0 Ų078.2 Ų78.20%037%0.371CS..EExtended strand (participates in β ladder)trans-74.2122.7168.8-1770000108.5V137 L138 K157 I176 R177 P178 L216 V218V137-V155 WeakPolarHBondContact O-CA 3.49Å; L138-V155 HydrophobicContact CD2-CG2 3.94Å; V155-K157 HydrophobicContact CG1-CB 4.48Å; V155-K157 WeakPolarHBondContact CG1-O 3.43Å; V155-I176 PolarHBondContact N-O 3.16Å; V155-R177 HydrophobicContact CB-CG 4.46Å; V155-R177 HydrophobicContact CG2-CG 3.96Å; V155-P178 WeakPolarHBondContact O-CD 3.46Å; V155-L216 HydrophobicContact CG2-CD1 4.46Å; V155-V218 HydrophobicContact CG1-CG2 3.82Å
156T94.9Very high93.6Very high51 Ų5173.6 Ų73.631%0.31336%0.361SS..  trans-93.4-19178.253.40000112.8E136 V137 K139 M154 L181E136-T156 PolarHBondContact O-OG1 3.4Å; V137-T156 WeakPolarHBondContact CA-OG1 3.45Å; V137-T156 PolarHBondContact O-N 3.47Å; V137-T156 PolarHBondContact O-OG1 2.7Å; K139-T156 HydrophobicContact CB-CG2 3.68Å; M154-T156 PolarHBondContact O-N 3.35Å; T156-L181 VanDerWaalsContact O-CD1 3.24Å; T156-L181 WeakPolarHBondContact O-CD1 3.2Å
157K94.3Very high93.4Very high25 Ų2569.6 Ų69.611%0.10935%0.346CS..SBendtrans-87.7161.4178.5-59.2-62.2-177.41770111.1V137 V155 V218 T220 E254V137-K157 HydrophobicContact CB-CG 4.39Å; V137-K157 HydrophobicContact CG1-CG 4.09Å; V137-K157 HydrophobicContact CG2-CG 4.19Å; V155-K157 HydrophobicContact CG1-CB 4.48Å; V155-K157 WeakPolarHBondContact CG1-O 3.43Å; K157-V218 HydrophobicContact CB-CG1 3.66Å; K157-V218 HydrophobicContact CG-CG1 4.35Å; K157-T220 HydrophobicContact CG-CG2 4.45Å; K157-E254 HydrophobicContact CD-CB 4.06Å; K157-E254 HydrophobicContact CD-CG 3.97Å; K157-E254 IonicContact NZ-OE1 2.63Å; K157-E254 PolarHBondContact NZ-OE1 3.25Å
158V95.5Very high93.4Very high2 Ų271.9 Ų71.91%0.01236%0.355CS..  trans-60.1141.3172.9170.60000110F183 I219 P253 I259V158-F183 HydrophobicContact CB-CD2 4.31Å; V158-F183 HydrophobicContact CB-CE2 4.36Å; V158-F183 HydrophobicContact CG1-CB 4.32Å; V158-F183 HydrophobicContact CG1-CD2 3.24Å; V158-F183 HydrophobicContact CG1-CE2 3.74Å; V158-F183 HydrophobicContact CG1-CG 4.01Å; V158-F183 HydrophobicContact CG2-CD2 4.07Å; V158-F183 HydrophobicContact CG2-CE2 3.63Å; V158-F183 HydrophobicContact CG2-CZ 4.41Å; V158-I219 HydrophobicContact CG1-CB 4.4Å; V158-I219 PolarHBondContact O-N 3.4Å; V158-P253 HydrophobicContact CB-CB 4.07Å; V158-P253 HydrophobicContact CB-CG 3.99Å; V158-P253 HydrophobicContact CG1-CB 4.36Å; V158-P253 HydrophobicContact CG2-CB 3.9Å; V158-P253 HydrophobicContact CG2-CG 4.23Å; V158-I259 HydrophobicContact CG1-CD1 3.93Å; V158-I259 HydrophobicContact CG1-CG1 4.19Å
159C94.9Very high93.5Very high0 Ų067.6 Ų67.60%034%0.344CS..BIsolated β-bridgetrans-134.8150.4178.9620000111.7L181 R182 F183 G217C159-L181 PolarHBondContact N-O 3.08Å; C159-L181 PolarHBondContact SG-O 2.93Å; C159-R182 VanDerWaalsContact O-CA 3.31Å; C159-R182 WeakPolarHBondContact O-CA 3.16Å; C159-F183 PolarHBondContact O-N 3.19Å; C159-G217 CarbonylContact C-O 3.54Å; C159-G217 WeakPolarHBondContact CA-O 3.46Å
160F95.9Very high93.4Very high18 Ų1865 Ų658%0.07934%0.342CS..  trans-99.6138.9166.1174.5-101.4000109.3F183 I201 L202 V204 G217 I219F160-F183 WeakPolarHBondContact CD2-O 3.32Å; F160-I201 HydrophobicContact CB-CG2 4.47Å; F160-I201 HydrophobicContact CD1-CG2 4.25Å; F160-I201 HydrophobicContact CD2-CB 3.71Å; F160-I201 HydrophobicContact CD2-CD1 4.36Å; F160-I201 HydrophobicContact CD2-CG2 3.59Å; F160-I201 HydrophobicContact CE1-CG2 4.4Å; F160-I201 HydrophobicContact CE2-CB 3.7Å; F160-I201 HydrophobicContact CE2-CG2 3.78Å; F160-I201 WeakPolarHBondContact CE2-O 3.35Å; F160-I201 HydrophobicContact CG-CB 4.46Å; F160-I201 HydrophobicContact CG-CG2 3.84Å; F160-I201 HydrophobicContact CZ-CB 4.43Å; F160-I201 HydrophobicContact CZ-CG2 4.17Å; F160-I201 VanDerWaalsContact CZ-O 3.23Å; F160-I201 WeakPolarHBondContact CZ-O 3.47Å; F160-L202 WeakPolarHBondContact CE1-O 3.31Å; F160-L202 WeakPolarHBondContact CZ-O 3.15Å; F160-V204 HydrophobicContact CB-CG2 3.81Å; F160-V204 HydrophobicContact CD1-CG2 4.3Å; F160-V204 HydrophobicContact CG-CG2 4.42Å; F160-G217 PolarHBondContact N-O 3.02Å; F160-I219 HydrophobicContact CB-CD1 3.8Å; F160-I219 HydrophobicContact CB-CG1 4.46Å
161V93.8Very high93.4Very high13 Ų1370.7 Ų70.78%0.07936%0.358CS..  trans-135.5122.6-180175.90000105.8F165 R182V161-F165 HydrophobicContact CG1-CB 3.07Å; V161-F165 HydrophobicContact CG1-CD1 3.31Å; V161-F165 HydrophobicContact CG1-CD2 3.76Å; V161-F165 HydrophobicContact CG1-CE1 4.11Å; V161-F165 HydrophobicContact CG1-CG 3.07Å; V161-R182 HydrophobicContact CB-CG 4.44Å; V161-R182 HydrophobicContact CG2-CG 3.84Å
162G90.6Very high93.3Very high37 Ų3774.6 Ų74.638%0.38137%0.374SS..  trans-61.3160.1-179.800000112.4N164 F165G162-N164 PolarHBondContact O-N 2.76Å; G162-F165 VanDerWaalsContact O-CB 3.28Å; G162-F165 WeakPolarHBondContact O-CB 3.43Å; G162-F165 PolarHBondContact O-N 3.49Å; G162-F165 VanDerWaalsContact O-N 3.16Å
163D87.7Confident93.2Very high122 Ų12273.9 Ų73.965%0.65237%0.371SS*.THydrogen-bonded Turntrans-63.7-27.9-171.8-69.6-51.3000113.8F165 K184D163-F165 PolarHBondContact O-N 2.75Å; D163-K184 IonicContact OD1-NZ 3.45Å; D163-K184 PolarHBondContact OD1-NZ 3.27Å
164N90.3Very high93.1Very high162 Ų16276.7 Ų76.787%0.86638%0.382SS*.THydrogen-bonded Turntrans-8621.4178.4-64.4-10.9000113.8G162 T166G162-N164 PolarHBondContact O-N 2.76Å; N164-T166 PolarHBondContact O-N 2.82Å
165F89.8Confident93.1Very high64 Ų6476.6 Ų76.628%0.28138%0.38SS..  trans-80.3114.2-176.7178-103.7000113.3V161 G162 D163 R167 R177V161-F165 HydrophobicContact CG1-CB 3.07Å; V161-F165 HydrophobicContact CG1-CD1 3.31Å; V161-F165 HydrophobicContact CG1-CD2 3.76Å; V161-F165 HydrophobicContact CG1-CE1 4.11Å; V161-F165 HydrophobicContact CG1-CG 3.07Å; G162-F165 VanDerWaalsContact O-CB 3.28Å; G162-F165 WeakPolarHBondContact O-CB 3.43Å; G162-F165 PolarHBondContact O-N 3.49Å; G162-F165 VanDerWaalsContact O-N 3.16Å; D163-F165 PolarHBondContact O-N 2.75Å; F165-R167 HydrophobicContact CE1-CG 3.76Å; F165-R167 HydrophobicContact CZ-CG 4.24Å; F165-R177 VanDerWaalsContact CD2-NH2 3.26Å
166T89.8Confident93.1Very high121 Ų12177.7 Ų77.774%0.74239%0.385SS*.PPolyproline II helixtrans-102.7136.3167.2-55.70000109.9N164N164-T166 PolarHBondContact O-N 2.82Å
167R91.2Very high93.1Very high127 Ų12777.1 Ų77.148%0.47938%0.377SS..PPolyproline II helixtrans-68.3137.5176.5-71.7-171.372.7-168.3-3110.2F165 E173F165-R167 HydrophobicContact CE1-CG 3.76Å; F165-R167 HydrophobicContact CZ-CG 4.24Å; R167-E173 IonicContact CZ-OE1 3.35Å; R167-E173 IonicContact CZ-OE2 3.4Å; R167-E173 IonicContact NE-OE1 2.7Å; R167-E173 PolarHBondContact NE-OE1 3.26Å; R167-E173 IonicContact NE-OE2 2.76Å; R167-E173 IonicContact NH2-OE1 3.68Å; R167-E173 IonicContact NH2-OE2 3.47Å; R167-E173 PolarHBondContact NH2-OE2 2.86Å
168K92.8Very high93Very high142 Ų14277.6 Ų77.662%0.61738%0.383SS*.PPolyproline II helixtrans-68.7151.5170.5-65.1-173.8178.5-173.40109.8E173K168-E173 HydrophobicContact CB-CB 4.32Å
169P95.7Very high92.9Very high79 Ų7984.3 Ų84.351%0.51342%0.416SS..PPolyproline II helixtrans-53.8143.6174.3-25.333000111.5K171 Y172 E173P169-K171 PolarHBondContact O-N 2.82Å; P169-Y172 HydrophobicContact CB-CD2 4.08Å; P169-Y172 HydrophobicContact CG-CD2 4.27Å; P169-Y172 PolarHBondContact O-N 2.93Å; P169-E173 PolarHBondContact O-N 3.32Å; P169-E173 VanDerWaalsContact O-N 3.13Å
170P93.3Very high92.8Very high91 Ų9187.5 Ų87.559%0.59145%0.45SS*.THydrogen-bonded Turntrans-57.2-23.3-172-28.334.9000115.1K152K152-P170 VanDerWaalsContact CE-O 3.3Å; K152-P170 WeakPolarHBondContact CE-O 3.34Å; K152-P170 PolarHBondContact NZ-O 2.83Å
171K93.6Very high92.7Very high165 Ų16589 Ų8972%0.71746%0.458SS*.THydrogen-bonded Turntrans-72-29.9176.9-174.863.9175.8-169.60113.1W151 P169W151-K171 WeakPolarHBondContact CH2-O 3.36Å; P169-K171 PolarHBondContact O-N 2.82Å
172Y93.2Very high92.7Very high179 Ų17990.9 Ų90.970%0.70246%0.464SS*.THydrogen-bonded Turntrans-103.4-12.6-178.1-56.7-69.5000113.2P169 R174P169-Y172 HydrophobicContact CB-CD2 4.08Å; P169-Y172 HydrophobicContact CG-CD2 4.27Å; P169-Y172 PolarHBondContact O-N 2.93Å; Y172-R174 PolarHBondContact O-N 3.3Å
173E93.3Very high92.9Very high11 Ų1191.7 Ų91.75%0.05146%0.457CS..  trans-78.3103.5176.7-167.7-179.9-154.100111.2R167 K168 P169 I176R167-E173 IonicContact CZ-OE1 3.35Å; R167-E173 IonicContact CZ-OE2 3.4Å; R167-E173 IonicContact NE-OE1 2.7Å; R167-E173 PolarHBondContact NE-OE1 3.26Å; R167-E173 IonicContact NE-OE2 2.76Å; R167-E173 IonicContact NH2-OE1 3.68Å; R167-E173 IonicContact NH2-OE2 3.47Å; R167-E173 PolarHBondContact NH2-OE2 2.86Å; K168-E173 HydrophobicContact CB-CB 4.32Å; P169-E173 PolarHBondContact O-N 3.32Å; P169-E173 VanDerWaalsContact O-N 3.13Å; E173-I176 HydrophobicContact CG-CG1 4.08Å
174R94.3Very high93.2Very high137 Ų13791.7 Ų91.752%0.51745%0.451SS..  trans-85.4-47.4172.9-172.6176.5178.9-170.1-5112.5W151 K152 R153 Y172W151-R174 HydrophobicContact CE3-CB 4.28Å; W151-R174 HydrophobicContact CE3-CG 4.16Å; W151-R174 HydrophobicContact CZ3-CB 4.1Å; W151-R174 HydrophobicContact CZ3-CG 4.48Å; W151-R174 VanDerWaalsContact O-CG 3.31Å; W151-R174 WeakPolarHBondContact O-CG 3.31Å; W151-R174 PolarHBondContact O-NE 3.22Å; K152-R174 WeakPolarHBondContact CA-O 3.36Å; R153-R174 PolarHBondContact N-O 2.88Å; Y172-R174 PolarHBondContact O-N 3.3Å
175F95.1Very high93.5Very high62 Ų6290 Ų9027%0.27244%0.436SS..EExtended strand (participates in β ladder)trans-98.4113.6179.3-63-74.6000110.1L138 R153 L216L138-F175 HydrophobicContact CD1-CE1 4.03Å; L138-F175 HydrophobicContact CD2-CD1 4.2Å; L138-F175 HydrophobicContact CD2-CE1 4.46Å; R153-F175 HydrophobicContact CB-CD1 3.9Å; R153-F175 HydrophobicContact CB-CE1 4.14Å; R153-F175 HydrophobicContact CG-CE1 4.33Å; R153-F175 CarbonylContact O-C 3.53Å; R153-F175 WeakPolarHBondContact O-CA 3.47Å; F175-L216 HydrophobicContact CB-CD1 4.49Å; F175-L216 HydrophobicContact CB-CD2 3.92Å; F175-L216 HydrophobicContact CD1-CD1 4.09Å; F175-L216 HydrophobicContact CD2-CD2 4.26Å; F175-L216 HydrophobicContact CG-CD1 4.21Å; F175-L216 HydrophobicContact CG-CD2 4.09Å
176I95.2Very high93.8Very high23 Ų2387 Ų8712%0.11842%0.423CS..EExtended strand (participates in β ladder)trans-98.2119.1-178.5-66.2161.8000108.7I141 K152 R153 M154 V155 E173I141-I176 HydrophobicContact CD1-CB 4.48Å; I141-I176 HydrophobicContact CD1-CD1 3.37Å; I141-I176 HydrophobicContact CD1-CG1 4.46Å; K152-I176 HydrophobicContact CB-CD1 4.5Å; K152-I176 HydrophobicContact CD-CD1 4.01Å; R153-I176 PolarHBondContact O-N 2.81Å; M154-I176 HydrophobicContact CG-CG2 4.45Å; V155-I176 PolarHBondContact N-O 3.16Å; E173-I176 HydrophobicContact CG-CG1 4.08Å
177R94.7Very high94.1Very high39 Ų3985 Ų8515%0.14741%0.405CS..  trans-102.6101.4172.9-66.2-175.2-63-168.92.2108.9V155 F165 R182 L216V155-R177 HydrophobicContact CB-CG 4.46Å; V155-R177 HydrophobicContact CG2-CG 3.96Å; F165-R177 VanDerWaalsContact CD2-NH2 3.26Å; R177-R182 VanDerWaalsContact O-CZ 3.3Å; R177-R182 PolarHBondContact O-NE 2.93Å; R177-R182 PolarHBondContact O-NH2 3.29Å; R177-L216 WeakPolarHBondContact CD-O 3.49Å; R177-L216 PolarHBondContact NH1-O 3.21Å
178P93.4Very high94.3Very high36 Ų3679 Ų7923%0.23438%0.382CS..  trans-67.9144.2-173.428.6-34.5000111.3V155 G180 L181 R182V155-P178 WeakPolarHBondContact O-CD 3.46Å; P178-G180 VanDerWaalsContact C-N 3.31Å; P178-G180 PolarHBondContact O-N 2.79Å; P178-L181 HydrophobicContact CG-CB 4.06Å; P178-L181 HydrophobicContact CG-CD1 3.62Å; P178-L181 HydrophobicContact CG-CG 3.86Å; P178-L181 PolarHBondContact O-N 2.91Å; P178-L181 VanDerWaalsContact O-N 3.16Å; P178-R182 WeakPolarHBondContact O-CG 3.42Å
179M92.6Very high94.3Very high142 Ų14274.5 Ų74.570%0.737%0.366SS*.G310 helixtrans-61.8-35.5-175.4-72.1176.465.800113.3L181 R182M179-L181 PolarHBondContact O-N 3.02Å; M179-R182 WeakPolarHBondContact O-CB 3.35Å; M179-R182 PolarHBondContact O-N 2.83Å; M179-R182 VanDerWaalsContact O-N 3.08Å
180G92.2Very high93.9Very high68 Ų6871 Ų7170%0.70134%0.344SS*.G310 helixtrans-65.7-15.5178.500000114.7P178P178-G180 VanDerWaalsContact C-N 3.31Å; P178-G180 PolarHBondContact O-N 2.79Å
181L94.4Very high93.6Very high48 Ų4869.7 Ų69.725%0.25134%0.335SS..G310 helixtrans-105.29.6176.3-59.9-178000112.6T156 C159 P178 M179T156-L181 VanDerWaalsContact O-CD1 3.24Å; T156-L181 WeakPolarHBondContact O-CD1 3.2Å; C159-L181 PolarHBondContact N-O 3.08Å; C159-L181 PolarHBondContact SG-O 2.93Å; P178-L181 HydrophobicContact CG-CB 4.06Å; P178-L181 HydrophobicContact CG-CD1 3.62Å; P178-L181 HydrophobicContact CG-CG 3.86Å; P178-L181 PolarHBondContact O-N 2.91Å; P178-L181 VanDerWaalsContact O-N 3.16Å; M179-L181 PolarHBondContact O-N 3.02Å
182R94.2Very high93.1Very high54 Ų5465.4 Ų65.420%0.20432%0.317CS..BIsolated β-bridgetrans-93106.2178.5-64.2179.2-164.2174.33.3109.7C159 V161 R177 P178 M179C159-R182 VanDerWaalsContact O-CA 3.31Å; C159-R182 WeakPolarHBondContact O-CA 3.16Å; V161-R182 HydrophobicContact CB-CG 4.44Å; V161-R182 HydrophobicContact CG2-CG 3.84Å; R177-R182 VanDerWaalsContact O-CZ 3.3Å; R177-R182 PolarHBondContact O-NE 2.93Å; R177-R182 PolarHBondContact O-NH2 3.29Å; P178-R182 WeakPolarHBondContact O-CG 3.42Å; M179-R182 WeakPolarHBondContact O-CB 3.35Å; M179-R182 PolarHBondContact O-N 2.83Å; M179-R182 VanDerWaalsContact O-N 3.08Å
183F94.5Very high92.6Very high53 Ų5359.9 Ų59.923%0.23230%0.3CS..  trans-101.8143.6174.3-65.3-28.7000111.3V158 C159 F160 G257 I259V158-F183 HydrophobicContact CB-CD2 4.31Å; V158-F183 HydrophobicContact CB-CE2 4.36Å; V158-F183 HydrophobicContact CG1-CB 4.32Å; V158-F183 HydrophobicContact CG1-CD2 3.24Å; V158-F183 HydrophobicContact CG1-CE2 3.74Å; V158-F183 HydrophobicContact CG1-CG 4.01Å; V158-F183 HydrophobicContact CG2-CD2 4.07Å; V158-F183 HydrophobicContact CG2-CE2 3.63Å; V158-F183 HydrophobicContact CG2-CZ 4.41Å; C159-F183 PolarHBondContact O-N 3.19Å; F160-F183 WeakPolarHBondContact CD2-O 3.32Å; F183-G257 WeakPolarHBondContact CE2-O 3.44Å; F183-G257 VanDerWaalsContact CZ-O 3.23Å; F183-G257 WeakPolarHBondContact CZ-O 3.35Å; F183-I259 HydrophobicContact CB-CD1 3.65Å; F183-I259 HydrophobicContact CD2-CD1 3.7Å; F183-I259 HydrophobicContact CD2-CG1 3.78Å; F183-I259 HydrophobicContact CG-CD1 4.19Å
184K94.6Very high92.1Very high122 Ų12268.2 Ų68.253%0.5334%0.336SS..  trans-109.2-19.2179.2-64.5-167.9173.7-150.60113.4D163 P200 I201D163-K184 IonicContact OD1-NZ 3.45Å; D163-K184 PolarHBondContact OD1-NZ 3.27Å; K184-P200 WeakPolarHBondContact O-CA 3.39Å; K184-I201 PolarHBondContact O-N 3.36Å
185K95Very high91.7Very high128 Ų12863.4 Ų63.456%0.55733%0.326SS*.EExtended strand (participates in β ladder)trans-124.5153.6-176.3-60.3-172.1179.1-171.20110.6L199K185-L199 CarbonylContact C-O 3.5Å; K185-L199 WeakPolarHBondContact CA-O 3.4Å
186A96.6Very high91.4Very high0 Ų065.2 Ų65.20%034%0.341CS..EExtended strand (participates in β ladder)trans-128.6146.8173.600000110.3V188 C198 L199 I201 I259A186-V188 HydrophobicContact CB-CG2 3.99Å; A186-V188 PolarHBondContact O-N 3.45Å; A186-C198 CarbonylContact O-C 3.43Å; A186-C198 WeakPolarHBondContact O-CA 3.18Å; A186-L199 PolarHBondContact N-O 3.49Å; A186-L199 PolarHBondContact O-N 3.33Å; A186-I201 HydrophobicContact CB-CD1 4.06Å; A186-I201 HydrophobicContact CB-CG1 3.91Å; A186-I259 HydrophobicContact CB-CB 4.09Å; A186-I259 HydrophobicContact CB-CG2 3.76Å
187H96.2Very high91.3Very high80 Ų8066.8 Ų66.837%0.3735%0.348SS..EExtended strand (participates in β ladder)trans-85.4106.7168.2-65.3-75.8000108.5F197 I259 N260 A261H187-F197 CarbonylContact C-O 3.46Å; H187-F197 WeakPolarHBondContact CA-O 3.28Å; H187-I259 PolarHBondContact N-O 3.11Å; H187-N260 CarbonylContact O-C 3.59Å; H187-N260 WeakPolarHBondContact O-CA 3.25Å; H187-A261 PolarHBondContact O-N 2.78Å
188V94.6Very high91.2Very high0 Ų067.5 Ų67.50%036%0.358CS..EExtended strand (participates in β ladder)trans-109.6121.6-170.4179.20000109.5A186 T196 F197 L199 V227 A247 A261 L263A186-V188 HydrophobicContact CB-CG2 3.99Å; A186-V188 PolarHBondContact O-N 3.45Å; V188-T196 WeakPolarHBondContact O-CA 3.32Å; V188-F197 PolarHBondContact N-O 3.49Å; V188-F197 PolarHBondContact O-N 3.43Å; V188-L199 HydrophobicContact CB-CD1 3.97Å; V188-L199 HydrophobicContact CB-CG 4.43Å; V188-L199 HydrophobicContact CG1-CD1 4.18Å; V188-L199 HydrophobicContact CG2-CB 4.23Å; V188-L199 HydrophobicContact CG2-CD1 4.23Å; V188-V227 HydrophobicContact CG1-CG2 4.46Å; V188-V227 HydrophobicContact CG2-CB 4.34Å; V188-V227 HydrophobicContact CG2-CG1 3.95Å; V188-V227 HydrophobicContact CG2-CG2 4.24Å; V188-A247 HydrophobicContact CG1-CB 4.32Å; V188-A261 CarbonylContact C-O 3.55Å; V188-A261 WeakPolarHBondContact CA-O 3.19Å; V188-A261 HydrophobicContact CG2-CB 4.42Å; V188-L263 HydrophobicContact CG1-CD1 3.95Å; V188-L263 HydrophobicContact CG1-CD2 3.65Å; V188-L263 HydrophobicContact CG1-CG 3.36Å
189T92.8Very high91.3Very high47 Ų4765.8 Ų65.829%0.28835%0.347SS..EExtended strand (participates in β ladder)trans-95.2130.1176.9-50.30000110.5A195 T196 A261 L263T189-A195 WeakPolarHBondContact CA-O 3.41Å; T189-T196 HydrophobicContact CG2-CG2 4.15Å; T189-T196 WeakPolarHBondContact OG1-CG2 3.39Å; T189-A261 PolarHBondContact N-O 3.48Å; T189-L263 PolarHBondContact O-N 3.47Å
190H88.3Confident91.5Very high7 Ų761.2 Ų61.23%0.03233%0.328CS..EExtended strand (participates in β ladder)trans-89.6117.5168.8-166.7-67.3000109.7E192 L193 K194 A195 F197 L263H190-E192 VanDerWaalsContact C-N 3.33Å; H190-E192 IonicContact CE1-OE2 3.71Å; H190-E192 PolarHBondContact ND1-N 3.04Å; H190-E192 PolarHBondContact O-N 3.15Å; H190-L193 HydrophobicContact CB-CB 4.12Å; H190-L193 HydrophobicContact CB-CD1 4.34Å; H190-L193 HydrophobicContact CB-CG 4.44Å; H190-L193 PolarHBondContact ND1-N 3.25Å; H190-L193 PolarHBondContact O-N 2.84Å; H190-K194 PolarHBondContact O-N 3.33Å; H190-A195 PolarHBondContact N-O 3.27Å; H190-F197 HydrophobicContact CB-CE2 4.49Å; H190-L263 HydrophobicContact CB-CD1 4.12Å
191P86.3Confident91.7Very high63 Ų6358.3 Ų58.341%0.40930%0.296SS..THydrogen-bonded Turntrans-62.4-35.9-172.722.1-31.8000113.5V262 V265P191-V262 HydrophobicContact CG-CG1 4.49Å; P191-V265 HydrophobicContact CG-CG2 4.07Å
192E84.4Confident91.7Very high75 Ų7559 Ų5935%0.3530%0.3SS..THydrogen-bonded Turntrans-78.7-35.3-179.3-54177.117100113.8S102 L107 H190S102-E192 PolarHBondContact OG-O 3.1Å; L107-E192 WeakPolarHBondContact CD2-OE2 3.39Å; H190-E192 VanDerWaalsContact C-N 3.33Å; H190-E192 IonicContact CE1-OE2 3.71Å; H190-E192 PolarHBondContact ND1-N 3.04Å; H190-E192 PolarHBondContact O-N 3.15Å
193L81.4Confident91.7Very high62 Ų6257.2 Ų57.233%0.32530%0.298SS..THydrogen-bonded Turntrans-84.1-18.6180-61.8175000112.1S102 H190 A195S102-L193 WeakPolarHBondContact O-CD2 3.14Å; S102-L193 WeakPolarHBondContact OG-CA 3.23Å; H190-L193 HydrophobicContact CB-CB 4.12Å; H190-L193 HydrophobicContact CB-CD1 4.34Å; H190-L193 HydrophobicContact CB-CG 4.44Å; H190-L193 PolarHBondContact ND1-N 3.25Å; H190-L193 PolarHBondContact O-N 2.84Å; L193-A195 HydrophobicContact CB-CB 4.27Å; L193-A195 PolarHBondContact O-N 3.34Å; L193-A195 VanDerWaalsContact O-N 3.08Å
194K84.1Confident91.8Very high186 Ų18655.9 Ų55.981%0.80929%0.294SS*.THydrogen-bonded Turntrans52.227.3-173-58.7178.7-179.4175.10113H190H190-K194 PolarHBondContact O-N 3.33Å
195A84.8Confident91.8Very high37 Ų3755.9 Ų55.931%0.30629%0.294SS..EExtended strand (participates in β ladder)trans-109.5153.5177.500000110.3T189 H190 L193 F197T189-A195 WeakPolarHBondContact CA-O 3.41Å; H190-A195 PolarHBondContact N-O 3.27Å; L193-A195 HydrophobicContact CB-CB 4.27Å; L193-A195 PolarHBondContact O-N 3.34Å; L193-A195 VanDerWaalsContact O-N 3.08Å; A195-F197 HydrophobicContact CB-CE2 3.73Å; A195-F197 HydrophobicContact CB-CZ 3.85Å
196T89.9Confident91.8Very high99 Ų9955.4 Ų55.461%0.60729%0.292SS*.EExtended strand (participates in β ladder)trans-116.3140.1-179.760.20000110.2V188 T189V188-T196 WeakPolarHBondContact O-CA 3.32Å; T189-T196 HydrophobicContact CG2-CG2 4.15Å; T189-T196 WeakPolarHBondContact OG1-CG2 3.39Å
197F91.8Very high91.6Very high56 Ų5655.5 Ų55.525%0.24629%0.292CS..EExtended strand (participates in β ladder)trans-131140.7-176.2-58.5-88000110H187 V188 H190 A195 L199 L232H187-F197 CarbonylContact C-O 3.46Å; H187-F197 WeakPolarHBondContact CA-O 3.28Å; V188-F197 PolarHBondContact N-O 3.49Å; V188-F197 PolarHBondContact O-N 3.43Å; H190-F197 HydrophobicContact CB-CE2 4.49Å; A195-F197 HydrophobicContact CB-CE2 3.73Å; A195-F197 HydrophobicContact CB-CZ 3.85Å; F197-L199 HydrophobicContact CB-CD1 4.12Å; F197-L199 HydrophobicContact CB-CD2 3.87Å; F197-L199 HydrophobicContact CB-CG 3.74Å; F197-L199 PolarHBondContact O-N 2.93Å; F197-L232 HydrophobicContact CD1-CD2 3.81Å; F197-L232 HydrophobicContact CD2-CD2 3.6Å; F197-L232 HydrophobicContact CE1-CD2 3.57Å; F197-L232 HydrophobicContact CE2-CD2 3.34Å; F197-L232 HydrophobicContact CG-CD2 3.82Å; F197-L232 HydrophobicContact CZ-CD2 3.33Å
198C94.2Very high91.4Very high55 Ų5554.9 Ų54.937%0.37230%0.296SS..EExtended strand (participates in β ladder)trans-94.179.8177.4-169.20000110A186A186-C198 CarbonylContact O-C 3.43Å; A186-C198 WeakPolarHBondContact O-CA 3.18Å
199L94.4Very high91.2Very high0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-92.4143-170.5-59.8177.3000111.6K185 A186 V188 F197 V227 N228 V229 E231 L232K185-L199 CarbonylContact C-O 3.5Å; K185-L199 WeakPolarHBondContact CA-O 3.4Å; A186-L199 PolarHBondContact N-O 3.49Å; A186-L199 PolarHBondContact O-N 3.33Å; V188-L199 HydrophobicContact CB-CD1 3.97Å; V188-L199 HydrophobicContact CB-CG 4.43Å; V188-L199 HydrophobicContact CG1-CD1 4.18Å; V188-L199 HydrophobicContact CG2-CB 4.23Å; V188-L199 HydrophobicContact CG2-CD1 4.23Å; F197-L199 HydrophobicContact CB-CD1 4.12Å; F197-L199 HydrophobicContact CB-CD2 3.87Å; F197-L199 HydrophobicContact CB-CG 3.74Å; F197-L199 PolarHBondContact O-N 2.93Å; L199-V227 HydrophobicContact CB-CB 4.38Å; L199-V227 HydrophobicContact CD1-CG2 4.43Å; L199-N228 WeakPolarHBondContact CB-O 3.44Å; L199-N228 WeakPolarHBondContact CD1-O 3.47Å; L199-N228 WeakPolarHBondContact CD2-O 3.23Å; L199-V229 HydrophobicContact CD1-CG1 4.1Å; L199-E231 HydrophobicContact CD2-CB 4.2Å; L199-E231 HydrophobicContact CD2-CG 4.48Å; L199-L232 HydrophobicContact CD1-CD1 4.46Å
200P96.2Very high91.1Very high46 Ų4655.9 Ų55.930%0.29930%0.304SS..EExtended strand (participates in β ladder)trans-70.8141173.325.8-26000110.9K184 N228K184-P200 WeakPolarHBondContact O-CA 3.39Å; P200-N228 HydrophobicContact CG-CB 3.76Å; P200-N228 PolarHBondContact O-N 2.93Å
201I96.4Very high91.3Very high7 Ų760 Ų604%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-81.3130.4175.8-57.1171.4000107.6F160 K184 A186 I219 V225 I259F160-I201 HydrophobicContact CB-CG2 4.47Å; F160-I201 HydrophobicContact CD1-CG2 4.25Å; F160-I201 HydrophobicContact CD2-CB 3.71Å; F160-I201 HydrophobicContact CD2-CD1 4.36Å; F160-I201 HydrophobicContact CD2-CG2 3.59Å; F160-I201 HydrophobicContact CE1-CG2 4.4Å; F160-I201 HydrophobicContact CE2-CB 3.7Å; F160-I201 HydrophobicContact CE2-CG2 3.78Å; F160-I201 WeakPolarHBondContact CE2-O 3.35Å; F160-I201 HydrophobicContact CG-CB 4.46Å; F160-I201 HydrophobicContact CG-CG2 3.84Å; F160-I201 HydrophobicContact CZ-CB 4.43Å; F160-I201 HydrophobicContact CZ-CG2 4.17Å; F160-I201 VanDerWaalsContact CZ-O 3.23Å; F160-I201 WeakPolarHBondContact CZ-O 3.47Å; K184-I201 PolarHBondContact O-N 3.36Å; A186-I201 HydrophobicContact CB-CD1 4.06Å; A186-I201 HydrophobicContact CB-CG1 3.91Å; I201-I219 HydrophobicContact CD1-CD1 4.02Å; I201-V225 HydrophobicContact CG2-CB 4.42Å; I201-I259 HydrophobicContact CD1-CD1 3.73Å
202L94.9Very high91.7Very high63 Ų6360.8 Ų60.833%0.3333%0.332SS..EExtended strand (participates in β ladder)trans-90.4-39.4175-64171.7000110.8F160 E226 N228 W243F160-L202 WeakPolarHBondContact CE1-O 3.31Å; F160-L202 WeakPolarHBondContact CZ-O 3.15Å; L202-E226 HydrophobicContact CB-CB 4.31Å; L202-E226 HydrophobicContact CB-CG 4.19Å; L202-E226 HydrophobicContact CD1-CG 4.11Å; L202-E226 PolarHBondContact N-O 3.21Å; L202-N228 HydrophobicContact CD1-CB 4.19Å; L202-N228 HydrophobicContact CD2-CB 4.19Å; L202-N228 HydrophobicContact CG-CB 4.15Å; L202-W243 HydrophobicContact CD1-CE3 3.79Å; L202-W243 HydrophobicContact CD1-CZ3 3.51Å; L202-W243 HydrophobicContact CD2-CZ3 4.1Å; L202-W243 HydrophobicContact CG-CZ3 4.42Å
203G95.6Very high92.2Very high16 Ų1657.5 Ų57.517%0.16532%0.317CS..EExtended strand (participates in β ladder)trans-170.1166.8-176.700000113.9V225 E226G203-V225 WeakPolarHBondContact O-CA 3.45Å; G203-E226 PolarHBondContact N-O 3.21Å; G203-E226 PolarHBondContact O-N 3.06Å
204V95.9Very high92.8Very high24 Ų2456 Ų5615%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-103117.2170.6179.60000107.6F160 T214 I219 T223 V225F160-V204 HydrophobicContact CB-CG2 3.81Å; F160-V204 HydrophobicContact CD1-CG2 4.3Å; F160-V204 HydrophobicContact CG-CG2 4.42Å; V204-T214 HydrophobicContact CG1-CG2 4.36Å; V204-I219 HydrophobicContact CG2-CD1 4.23Å; V204-I219 HydrophobicContact CG2-CG1 3.96Å; V204-T223 HydrophobicContact CG1-CG2 3.53Å; V204-V225 HydrophobicContact CG2-CG1 4.27Å
205K95.1Very high93.2Very high123 Ų12353 Ų5354%0.53531%0.307SS..EExtended strand (participates in β ladder)trans-90.9-43-174.8-173.361.1174-177.20112.7T214 V224 Y246K205-T214 VanDerWaalsContact O-CG2 3.28Å; K205-T214 WeakPolarHBondContact O-CG2 3.41Å; K205-V224 HydrophobicContact CB-CG1 4.43Å; K205-V224 PolarHBondContact N-O 3.24Å; K205-Y246 HydrophobicContact CB-CD1 4.3Å; K205-Y246 HydrophobicContact CB-CE1 3.92Å; K205-Y246 HydrophobicContact CD-CE1 4.24Å; K205-Y246 HydrophobicContact CG-CD1 4.43Å; K205-Y246 HydrophobicContact CG-CE1 3.72Å
206K93.9Very high93.7Very high118 Ų11852.2 Ų52.251%0.51330%0.298SS..EExtended strand (participates in β ladder)trans-151.4122.1-177.6-173.472.8177.6-172.10110.9T223 V224K206-T223 CarbonylContact O-C 3.57Å; K206-T223 WeakPolarHBondContact O-CA 3.06Å; K206-T223 WeakPolarHBondContact O-CG2 3.45Å; K206-V224 HydrophobicContact CB-CB 4.2Å; K206-V224 HydrophobicContact CB-CG2 4.46Å; K206-V224 PolarHBondContact N-O 3.19Å; K206-V224 VanDerWaalsContact N-O 3.17Å; K206-V224 PolarHBondContact O-N 3.15Å
207N93.5Very high93.9Very high1 Ų147.8 Ų47.81%0.00527%0.272CS..  trans-95131.4162.6-169.9-55.4000109.2S209 T214 V218 T220 T223N207-S209 VanDerWaalsContact C-N 3.31Å; N207-S209 PolarHBondContact O-N 3.02Å; N207-S209 PolarHBondContact OD1-N 2.82Å; N207-T214 PolarHBondContact N-OG1 2.92Å; N207-V218 PolarHBondContact ND2-O 2.91Å; N207-T220 PolarHBondContact ND2-OG1 3.29Å; N207-T220 VanDerWaalsContact ND2-OG1 3.15Å; N207-T223 HydrophobicContact CB-CG2 4.44Å; N207-T223 PolarHBondContact ND2-OG1 3.35Å
208P91.9Very high94.1Very high67 Ų6745.1 Ų45.144%0.43526%0.26SS..SBendtrans-69.3-23.8-177.927.1-35.6000113.9
209S90.3Very high94.1Very high41 Ų4142.5 Ų42.529%0.28724%0.242SC..SBendtrans-82.3-44.8-176.3-64.60000113N207N207-S209 VanDerWaalsContact C-N 3.31Å; N207-S209 PolarHBondContact O-N 3.02Å; N207-S209 PolarHBondContact OD1-N 2.82Å
210S89.9Confident94.2Very high27 Ų2742.5 Ų42.519%0.18924%0.243CC..  trans-155.6150.4176.878.60000113.4L212 Y213 T214S210-L212 VanDerWaalsContact C-N 3.27Å; S210-L212 PolarHBondContact O-N 2.93Å; S210-Y213 PolarHBondContact O-N 3.02Å; S210-Y213 WeakPolarHBondContact OG-CB 3.42Å; S210-Y213 WeakPolarHBondContact OG-CD1 3.41Å; S210-Y213 WeakPolarHBondContact OG-CD2 3.4Å; S210-Y213 WeakPolarHBondContact OG-CE2 3.46Å; S210-Y213 PolarHBondContact OG-N 3.35Å; S210-Y213 VanDerWaalsContact OG-N 3.1Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.47Å
211P93.4Very high94.1Very high94 Ų9443.8 Ų43.861%0.6124%0.244SC*.Hα-helixtrans-61.9-34.2169.9-22.533.9000112.8Y213 T214 T215P211-Y213 VanDerWaalsContact C-N 3.27Å; P211-Y213 PolarHBondContact O-N 2.8Å; P211-T214 WeakPolarHBondContact O-CA 3.5Å; P211-T214 WeakPolarHBondContact O-CB 3.5Å; P211-T214 PolarHBondContact O-N 2.85Å; P211-T215 PolarHBondContact O-N 2.86Å; P211-T215 VanDerWaalsContact O-N 3.09Å; P211-T215 PolarHBondContact O-OG1 3.37Å
212L93.4Very high94Very high79 Ų7943.6 Ų43.641%0.41424%0.243SC..Hα-helixtrans-58.7-39.9177.3-179.9146.7000111.7S210 T214 T215 L216S210-L212 VanDerWaalsContact C-N 3.27Å; S210-L212 PolarHBondContact O-N 2.93Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 3.45Å; L212-T215 PolarHBondContact O-N 2.68Å; L212-L216 HydrophobicContact CD2-CD1 3.55Å; L212-L216 HydrophobicContact CD2-CG 4.19Å; L212-L216 HydrophobicContact CG-CD1 4.49Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.38Å
213Y94.6Very high94Very high7 Ų740.6 Ų40.63%0.02723%0.228CC..Hα-helixtrans-66.7-29.8174.9-64.3-19.7000112.7V137 L138 S210 P211 G217 V218V137-Y213 HydrophobicContact CB-CE1 4.24Å; V137-Y213 HydrophobicContact CG1-CD1 4.22Å; V137-Y213 HydrophobicContact CG1-CE1 3.76Å; V137-Y213 HydrophobicContact CG1-CE2 4.45Å; V137-Y213 HydrophobicContact CG2-CE2 4.11Å; L138-Y213 HydrophobicContact CD1-CE1 4.4Å; S210-Y213 PolarHBondContact O-N 3.02Å; S210-Y213 WeakPolarHBondContact OG-CB 3.42Å; S210-Y213 WeakPolarHBondContact OG-CD1 3.41Å; S210-Y213 WeakPolarHBondContact OG-CD2 3.4Å; S210-Y213 WeakPolarHBondContact OG-CE2 3.46Å; S210-Y213 PolarHBondContact OG-N 3.35Å; S210-Y213 VanDerWaalsContact OG-N 3.1Å; P211-Y213 VanDerWaalsContact C-N 3.27Å; P211-Y213 PolarHBondContact O-N 2.8Å; Y213-G217 PolarHBondContact O-N 2.83Å; Y213-V218 HydrophobicContact CD1-CG2 4.41Å; Y213-V218 HydrophobicContact CG-CB 4.47Å; Y213-V218 PolarHBondContact O-N 3.42Å
214T94.9Very high94Very high29 Ų2941 Ų4118%0.17823%0.226CC..Hα-helixtrans-65.5-47172.6-49.70000110.2V204 K205 N207 S210 P211 L212 L216 G217V204-T214 HydrophobicContact CG1-CG2 4.36Å; K205-T214 VanDerWaalsContact O-CG2 3.28Å; K205-T214 WeakPolarHBondContact O-CG2 3.41Å; N207-T214 PolarHBondContact N-OG1 2.92Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.47Å; P211-T214 WeakPolarHBondContact O-CA 3.5Å; P211-T214 WeakPolarHBondContact O-CB 3.5Å; P211-T214 PolarHBondContact O-N 2.85Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 3.45Å; T214-L216 PolarHBondContact O-N 2.79Å; T214-G217 PolarHBondContact O-N 2.83Å
215T93.4Very high94.1Very high123 Ų12339.8 Ų39.876%0.75522%0.219SC*.Hα-helixtrans-64.5-39.1177.2-49.60000112.7P211 L212 G217P211-T215 PolarHBondContact O-N 2.86Å; P211-T215 VanDerWaalsContact O-N 3.09Å; P211-T215 PolarHBondContact O-OG1 3.37Å; L212-T215 PolarHBondContact O-N 2.68Å; T215-G217 PolarHBondContact O-N 2.84Å
216L93.4Very high94.1Very high22 Ų2236.7 Ų36.712%0.11521%0.207CC..Hα-helixtrans-72.7-10.3174.1-69.9-178000112.9V155 F175 R177 L212 T214 V218V155-L216 HydrophobicContact CG2-CD1 4.46Å; F175-L216 HydrophobicContact CB-CD1 4.49Å; F175-L216 HydrophobicContact CB-CD2 3.92Å; F175-L216 HydrophobicContact CD1-CD1 4.09Å; F175-L216 HydrophobicContact CD2-CD2 4.26Å; F175-L216 HydrophobicContact CG-CD1 4.21Å; F175-L216 HydrophobicContact CG-CD2 4.09Å; R177-L216 WeakPolarHBondContact CD-O 3.49Å; R177-L216 PolarHBondContact NH1-O 3.21Å; L212-L216 HydrophobicContact CD2-CD1 3.55Å; L212-L216 HydrophobicContact CD2-CG 4.19Å; L212-L216 HydrophobicContact CG-CD1 4.49Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.38Å; T214-L216 PolarHBondContact O-N 2.79Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 HydrophobicContact CB-CG2 3.88Å
217G94.8Very high94.2Very high5 Ų531.1 Ų31.15%0.05218%0.182CC..THydrogen-bonded Turntrans68.327.5-176.600000113.2C159 F160 Y213 T214 T215 I219C159-G217 CarbonylContact C-O 3.54Å; C159-G217 WeakPolarHBondContact CA-O 3.46Å; F160-G217 PolarHBondContact N-O 3.02Å; Y213-G217 PolarHBondContact O-N 2.83Å; T214-G217 PolarHBondContact O-N 2.83Å; T215-G217 PolarHBondContact O-N 2.84Å; G217-I219 PolarHBondContact O-N 3.01Å
218V95.7Very high94.3Very high0 Ų033 Ų330%019%0.193CC..BIsolated β-bridgetrans-72.8128.3178.2-1780000109.6V137 V155 K157 N207 Y213 L216 T220V137-V218 HydrophobicContact CG1-CG1 4.17Å; V155-V218 HydrophobicContact CG1-CG2 3.82Å; K157-V218 HydrophobicContact CB-CG1 3.66Å; K157-V218 HydrophobicContact CG-CG1 4.35Å; N207-V218 PolarHBondContact ND2-O 2.91Å; Y213-V218 HydrophobicContact CD1-CG2 4.41Å; Y213-V218 HydrophobicContact CG-CB 4.47Å; Y213-V218 PolarHBondContact O-N 3.42Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 HydrophobicContact CB-CG2 3.88Å; V218-T220 HydrophobicContact CG1-CG2 4.05Å
219I95.6Very high94.3Very high0 Ų029.8 Ų29.80%017%0.172CC..  trans-106.8112.2-179.1-58.5-178.7000108.6V158 F160 I201 V204 G217 V225 V249 P253 I259V158-I219 HydrophobicContact CG1-CB 4.4Å; V158-I219 PolarHBondContact O-N 3.4Å; F160-I219 HydrophobicContact CB-CD1 3.8Å; F160-I219 HydrophobicContact CB-CG1 4.46Å; I201-I219 HydrophobicContact CD1-CD1 4.02Å; V204-I219 HydrophobicContact CG2-CD1 4.23Å; V204-I219 HydrophobicContact CG2-CG1 3.96Å; G217-I219 PolarHBondContact O-N 3.01Å; I219-V225 HydrophobicContact CD1-CG1 4.24Å; I219-V225 HydrophobicContact CG1-CG1 4.48Å; I219-V249 HydrophobicContact CG2-CB 4.44Å; I219-V249 HydrophobicContact CG2-CG1 4.25Å; I219-V249 HydrophobicContact CG2-CG2 3.78Å; I219-P253 HydrophobicContact CG2-CG 4.28Å; I219-P253 WeakPolarHBondContact O-CG 3.49Å; I219-I259 HydrophobicContact CD1-CD1 3.69Å; I219-I259 HydrophobicContact CG2-CD1 4.45Å; I219-I259 HydrophobicContact CG2-CG2 4.41Å
220T94.9Very high94.2Very high1 Ų130.8 Ų30.81%0.00618%0.179CC..  trans-120.3170.9173.458.20000109.7K157 N207 V218 G222 T223K157-T220 HydrophobicContact CG-CG2 4.45Å; N207-T220 PolarHBondContact ND2-OG1 3.29Å; N207-T220 VanDerWaalsContact ND2-OG1 3.15Å; V218-T220 HydrophobicContact CG1-CG2 4.05Å; T220-G222 PolarHBondContact O-N 3.38Å; T220-T223 PolarHBondContact N-OG1 3.26Å; T220-T223 VanDerWaalsContact O-CB 3.22Å; T220-T223 WeakPolarHBondContact O-CB 3.49Å; T220-T223 PolarHBondContact O-N 2.92Å; T220-T223 PolarHBondContact O-OG1 3.42Å; T220-T223 PolarHBondContact OG1-OG1 2.97Å
221K94.7Very high93.8Very high73 Ų7336 Ų3632%0.31720%0.2SC..THydrogen-bonded Turntrans-50.6135.8169.7-173.9169.6-178.8173.20111.1L126 V129 T223 T250 N251 N252L126-K221 HydrophobicContact CD1-CG 4.22Å; V129-K221 HydrophobicContact CG1-CB 4Å; V129-K221 HydrophobicContact CG1-CD 4.4Å; V129-K221 HydrophobicContact CG1-CG 4.01Å; K221-T223 VanDerWaalsContact C-N 3.26Å; K221-T223 PolarHBondContact O-N 3.03Å; K221-T250 WeakPolarHBondContact CE-O 3.28Å; K221-N251 WeakPolarHBondContact CA-O 3.18Å; K221-N251 WeakPolarHBondContact CB-O 3.41Å; K221-N252 WeakPolarHBondContact CB-OD1 3.42Å
222G94.2Very high93.3Very high3 Ų333 Ų333%0.03118%0.179CC..THydrogen-bonded Turntrans76.61.1-177.500000115.9T220 V224 Q248 V249T220-G222 PolarHBondContact O-N 3.38Å; G222-V224 PolarHBondContact O-N 2.86Å; G222-Q248 PolarHBondContact O-NE2 2.96Å; G222-V249 WeakPolarHBondContact CA-O 3.06Å; G222-V249 PolarHBondContact N-O 3.24Å
223T95.4Very high92.8Very high0 Ų031.7 Ų31.70%018%0.184CC..  trans-63.7132.7173.6-55.50000109.6V204 K206 N207 T220 K221 V225 V249V204-T223 HydrophobicContact CG1-CG2 3.53Å; K206-T223 CarbonylContact O-C 3.57Å; K206-T223 WeakPolarHBondContact O-CA 3.06Å; K206-T223 WeakPolarHBondContact O-CG2 3.45Å; N207-T223 HydrophobicContact CB-CG2 4.44Å; N207-T223 PolarHBondContact ND2-OG1 3.35Å; T220-T223 PolarHBondContact N-OG1 3.26Å; T220-T223 VanDerWaalsContact O-CB 3.22Å; T220-T223 WeakPolarHBondContact O-CB 3.49Å; T220-T223 PolarHBondContact O-N 2.92Å; T220-T223 PolarHBondContact O-OG1 3.42Å; T220-T223 PolarHBondContact OG1-OG1 2.97Å; K221-T223 VanDerWaalsContact C-N 3.26Å; K221-T223 PolarHBondContact O-N 3.03Å; T223-V225 HydrophobicContact CG2-CG1 4.13Å; T223-V249 PolarHBondContact O-N 3.25Å
224V96.1Very high92.3Very high23 Ų2333 Ų3314%0.13919%0.191CC..EExtended strand (participates in β ladder)trans-90.1117.4172.5-176.10000108.1K205 K206 G222 Y246 A247 L264K205-V224 HydrophobicContact CB-CG1 4.43Å; K205-V224 PolarHBondContact N-O 3.24Å; K206-V224 HydrophobicContact CB-CB 4.2Å; K206-V224 HydrophobicContact CB-CG2 4.46Å; K206-V224 PolarHBondContact N-O 3.19Å; K206-V224 VanDerWaalsContact N-O 3.17Å; K206-V224 PolarHBondContact O-N 3.15Å; G222-V224 PolarHBondContact O-N 2.86Å; V224-Y246 HydrophobicContact CG1-CD1 4.1Å; V224-Y246 HydrophobicContact CG1-CG 4.26Å; V224-A247 WeakPolarHBondContact CA-O 3.22Å; V224-L264 HydrophobicContact CG1-CD1 4.24Å
225V96.8Very high91.7Very high0 Ų035.5 Ų35.50%021%0.207CC..EExtended strand (participates in β ladder)trans-112.4150.3178.4-63.80000109.7I201 G203 V204 I219 T223 V227 Y246 A247 V249I201-V225 HydrophobicContact CG2-CB 4.42Å; G203-V225 WeakPolarHBondContact O-CA 3.45Å; V204-V225 HydrophobicContact CG2-CG1 4.27Å; I219-V225 HydrophobicContact CD1-CG1 4.24Å; I219-V225 HydrophobicContact CG1-CG1 4.48Å; T223-V225 HydrophobicContact CG2-CG1 4.13Å; V225-V227 HydrophobicContact CG2-CG1 3.98Å; V225-Y246 CarbonylContact O-C 3.44Å; V225-Y246 WeakPolarHBondContact O-CA 3.39Å; V225-A247 HydrophobicContact CG2-CB 4.17Å; V225-A247 WeakPolarHBondContact CG2-O 3.4Å; V225-A247 PolarHBondContact N-O 3.03Å; V225-A247 PolarHBondContact O-N 3.09Å; V225-V249 HydrophobicContact CG1-CG2 4.23Å; V225-V249 HydrophobicContact CG2-CG2 4.24Å
226E96Very high91.3Very high58 Ų5832.5 Ų32.527%0.27119%0.188SC..EExtended strand (participates in β ladder)trans-96.4125.6170.5-169.6173.4-176.500107.9L202 G203 Y246L202-E226 HydrophobicContact CB-CB 4.31Å; L202-E226 HydrophobicContact CB-CG 4.19Å; L202-E226 HydrophobicContact CD1-CG 4.11Å; L202-E226 PolarHBondContact N-O 3.21Å; G203-E226 PolarHBondContact N-O 3.21Å; G203-E226 PolarHBondContact O-N 3.06Å; E226-Y246 HydrophobicContact CB-CD1 4.28Å; E226-Y246 HydrophobicContact CB-CE1 4.31Å; E226-Y246 HydrophobicContact CG-CE1 4.42Å
227V96.1Very high90.7Very high0 Ų037.7 Ų37.70%021%0.212CC..EExtended strand (participates in β ladder)trans-120.9145.3-176.5-660000110.1V188 L199 V225 V229 G244 K245 A247 L263V188-V227 HydrophobicContact CG1-CG2 4.46Å; V188-V227 HydrophobicContact CG2-CB 4.34Å; V188-V227 HydrophobicContact CG2-CG1 3.95Å; V188-V227 HydrophobicContact CG2-CG2 4.24Å; L199-V227 HydrophobicContact CB-CB 4.38Å; L199-V227 HydrophobicContact CD1-CG2 4.43Å; V225-V227 HydrophobicContact CG2-CG1 3.98Å; V227-V229 HydrophobicContact CG2-CG1 4.2Å; V227-V229 PolarHBondContact O-N 2.9Å; V227-G244 WeakPolarHBondContact O-CA 3.44Å; V227-K245 WeakPolarHBondContact CG2-O 3.45Å; V227-K245 PolarHBondContact N-O 3.27Å; V227-K245 PolarHBondContact O-N 3.44Å; V227-A247 HydrophobicContact CG1-CB 4.31Å; V227-A247 HydrophobicContact CG2-CB 3.99Å; V227-L263 HydrophobicContact CG2-CD2 3.88Å
228N94.8Very high90.1Very high41 Ų4140.7 Ų40.722%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-74.1122175.9-172.1-19.9000109.7L199 P200 L202 S230 W243L199-N228 WeakPolarHBondContact CB-O 3.44Å; L199-N228 WeakPolarHBondContact CD1-O 3.47Å; L199-N228 WeakPolarHBondContact CD2-O 3.23Å; P200-N228 HydrophobicContact CG-CB 3.76Å; P200-N228 PolarHBondContact O-N 2.93Å; L202-N228 HydrophobicContact CD1-CB 4.19Å; L202-N228 HydrophobicContact CD2-CB 4.19Å; L202-N228 HydrophobicContact CG-CB 4.15Å; N228-S230 VanDerWaalsContact OD1-CB 3.28Å; N228-S230 WeakPolarHBondContact OD1-CB 3.4Å; N228-S230 PolarHBondContact OD1-N 3.44Å; N228-S230 PolarHBondContact OD1-OG 3.47Å; N228-W243 CarbonylContact C-O 3.58Å; N228-W243 WeakPolarHBondContact CA-O 3.17Å; N228-W243 PolarHBondContact OD1-O 2.84Å
229V91.1Very high89.6Confident0 Ų043.3 Ų43.30%027%0.269CS..  trans-111.316.3-179-65.20000113.3L199 V227 E231 L232 L234 I242 W243 K245 L263L199-V229 HydrophobicContact CD1-CG1 4.1Å; V227-V229 HydrophobicContact CG2-CG1 4.2Å; V227-V229 PolarHBondContact O-N 2.9Å; V229-E231 PolarHBondContact O-N 3.42Å; V229-L232 HydrophobicContact CB-CB 4.47Å; V229-L232 HydrophobicContact CB-CD1 4.03Å; V229-L232 HydrophobicContact CB-CG 4.48Å; V229-L232 HydrophobicContact CG1-CD1 3.94Å; V229-L232 WeakPolarHBondContact O-CB 3.17Å; V229-L232 PolarHBondContact O-N 3.09Å; V229-L234 HydrophobicContact CG2-CD1 4.43Å; V229-I242 HydrophobicContact CG2-CG2 3.88Å; V229-W243 PolarHBondContact N-O 3.07Å; V229-K245 HydrophobicContact CB-CB 4.49Å; V229-K245 HydrophobicContact CG1-CB 3.7Å; V229-K245 HydrophobicContact CG2-CB 3.96Å; V229-L263 HydrophobicContact CG1-CD2 4.14Å
230S88.2Confident89.2Confident61 Ų6151.1 Ų51.143%0.42730%0.303SS..G310 helixtrans-54.7-35.4177.2-67.90000112.9N228 L232 G233 W243N228-S230 VanDerWaalsContact OD1-CB 3.28Å; N228-S230 WeakPolarHBondContact OD1-CB 3.4Å; N228-S230 PolarHBondContact OD1-N 3.44Å; N228-S230 PolarHBondContact OD1-OG 3.47Å; S230-L232 PolarHBondContact O-N 2.96Å; S230-G233 PolarHBondContact O-N 3.42Å; S230-W243 WeakPolarHBondContact OG-CB 3.48Å
231E83.4Confident88.8Confident138 Ų13855.5 Ų55.565%0.64533%0.33SS*.G310 helixtrans-65.9-21.8176.9-65.5-179.4-17300113.5L199 V229L199-E231 HydrophobicContact CD2-CB 4.2Å; L199-E231 HydrophobicContact CD2-CG 4.48Å; V229-E231 PolarHBondContact O-N 3.42Å
232L82.3Confident88.5Confident31 Ų3154.5 Ų54.516%0.16233%0.328CS..G310 helixtrans-83.1-13.3179.3-66178000113.3F197 L199 V229 S230 L234 L263F197-L232 HydrophobicContact CD1-CD2 3.81Å; F197-L232 HydrophobicContact CD2-CD2 3.6Å; F197-L232 HydrophobicContact CE1-CD2 3.57Å; F197-L232 HydrophobicContact CE2-CD2 3.34Å; F197-L232 HydrophobicContact CG-CD2 3.82Å; F197-L232 HydrophobicContact CZ-CD2 3.33Å; L199-L232 HydrophobicContact CD1-CD1 4.46Å; V229-L232 HydrophobicContact CB-CB 4.47Å; V229-L232 HydrophobicContact CB-CD1 4.03Å; V229-L232 HydrophobicContact CB-CG 4.48Å; V229-L232 HydrophobicContact CG1-CD1 3.94Å; V229-L232 WeakPolarHBondContact O-CB 3.17Å; V229-L232 PolarHBondContact O-N 3.09Å; S230-L232 PolarHBondContact O-N 2.96Å; L232-L234 HydrophobicContact CB-CD1 4.42Å; L232-L234 HydrophobicContact CB-CG 3.97Å; L232-L234 HydrophobicContact CD1-CD1 4.36Å; L232-L234 PolarHBondContact O-N 2.81Å; L232-L263 HydrophobicContact CD1-CD1 3.73Å
233G82.9Confident88.3Confident51 Ų5161.7 Ų61.753%0.52635%0.354SS..THydrogen-bonded Turntrans60.131.8-179.800000113.7S230 V235S230-G233 PolarHBondContact O-N 3.42Å; G233-V235 PolarHBondContact O-N 2.92Å
234L82.8Confident88.3Confident33 Ų3362.7 Ų62.717%0.17337%0.365CS..  trans-70.4126.7179-66.2177.4000110.2V229 L232 I242 K245V229-L234 HydrophobicContact CG2-CD1 4.43Å; L232-L234 HydrophobicContact CB-CD1 4.42Å; L232-L234 HydrophobicContact CB-CG 3.97Å; L232-L234 HydrophobicContact CD1-CD1 4.36Å; L232-L234 PolarHBondContact O-N 2.81Å; L234-I242 HydrophobicContact CB-CB 4.15Å; L234-I242 HydrophobicContact CB-CD1 4.26Å; L234-I242 PolarHBondContact O-N 2.91Å; L234-K245 HydrophobicContact CD1-CD 4.1Å
235V82.9Confident88.2Confident83 Ų8363.6 Ų63.650%0.50337%0.367SS..BIsolated β-bridgetrans-121.8137.1-179.1-175.40000109.5G233 V241G233-V235 PolarHBondContact O-N 2.92Å; V235-V241 HydrophobicContact CG2-CG2 4.49Å
236T85.3Confident88.1Confident60 Ų6068.2 Ų68.237%0.36839%0.385SS..  trans-72162.5172.360.80000110.8G238 G239 K240 I242T236-G238 PolarHBondContact O-N 3.43Å; T236-G239 PolarHBondContact O-N 2.84Å; T236-K240 PolarHBondContact N-O 3.17Å; T236-K240 PolarHBondContact OG1-N 3.45Å; T236-K240 PolarHBondContact OG1-O 2.88Å; T236-K240 VanDerWaalsContact OG1-O 3.07Å; T236-I242 HydrophobicContact CG2-CD1 3.81Å; T236-I242 HydrophobicContact CG2-CG1 3.7Å
237Q80.3Confident88.1Confident131 Ų13165.4 Ų65.461%0.61237%0.372SS*.THydrogen-bonded Turntrans-56.5-22.3174.2-68.9179.1-23.900113.3
238G83.6Confident88.1Confident67 Ų6765.7 Ų65.769%0.69137%0.373SS*.THydrogen-bonded Turntrans-9116.6175.800000114.8T236 K240T236-G238 PolarHBondContact O-N 3.43Å; G238-K240 PolarHBondContact O-N 3.02Å; G238-K240 VanDerWaalsContact O-N 3.12Å
239G84.4Confident88.2Confident55 Ų5563.7 Ų63.757%0.56736%0.362SS*.SBendtrans75.8-4.1175.700000115.5T236T236-G239 PolarHBondContact O-N 2.84Å
240K86.8Confident88.4Confident164 Ų16466 Ų6671%0.71338%0.376SS*.PPolyproline II helixtrans-74129.9175.6-61.5-176.3180-177.80110.5T236 G238T236-K240 PolarHBondContact N-O 3.17Å; T236-K240 PolarHBondContact OG1-N 3.45Å; T236-K240 PolarHBondContact OG1-O 2.88Å; T236-K240 VanDerWaalsContact OG1-O 3.07Å; G238-K240 PolarHBondContact O-N 3.02Å; G238-K240 VanDerWaalsContact O-N 3.12Å
241V86.6Confident88.7Confident93 Ų9363.9 Ų63.956%0.56436%0.36SS*.BIsolated β-bridgetrans-73.3130.9176.1-176.30000109.8V235V235-V241 HydrophobicContact CG2-CG2 4.49Å
242I88.9Confident89.2Confident53 Ų5360.1 Ų60.127%0.27234%0.344SS..PPolyproline II helixtrans-88.4121.7174.1-56.2173.3000107.3V229 L234 T236 G244V229-I242 HydrophobicContact CG2-CG2 3.88Å; L234-I242 HydrophobicContact CB-CB 4.15Å; L234-I242 HydrophobicContact CB-CD1 4.26Å; L234-I242 PolarHBondContact O-N 2.91Å; T236-I242 HydrophobicContact CG2-CD1 3.81Å; T236-I242 HydrophobicContact CG2-CG1 3.7Å; I242-G244 VanDerWaalsContact CG2-O 3.31Å; I242-G244 WeakPolarHBondContact CG2-O 3.36Å
243W90.6Very high89.8Confident153 Ų15358.7 Ų58.758%0.5834%0.337SS*.  trans-110.1-15.3177.863.7-87.1000112.6L202 N228 V229 S230L202-W243 HydrophobicContact CD1-CE3 3.79Å; L202-W243 HydrophobicContact CD1-CZ3 3.51Å; L202-W243 HydrophobicContact CD2-CZ3 4.1Å; L202-W243 HydrophobicContact CG-CZ3 4.42Å; N228-W243 CarbonylContact C-O 3.58Å; N228-W243 WeakPolarHBondContact CA-O 3.17Å; N228-W243 PolarHBondContact OD1-O 2.84Å; V229-W243 PolarHBondContact N-O 3.07Å; S230-W243 WeakPolarHBondContact OG-CB 3.48Å
244G93.6Very high90Very high22 Ų2258.7 Ų58.723%0.22732%0.324CS..EExtended strand (participates in β ladder)trans-127.3133.9177.400000111.7V227 I242V227-G244 WeakPolarHBondContact O-CA 3.44Å; I242-G244 VanDerWaalsContact CG2-O 3.31Å; I242-G244 WeakPolarHBondContact CG2-O 3.36Å
245K93.9Very high90.4Very high41 Ų4163.1 Ų63.118%0.17835%0.347CS..EExtended strand (participates in β ladder)trans-141.6152.7173.4-163.2161179.51700110.7V227 V229 L234 L263 L264V227-K245 WeakPolarHBondContact CG2-O 3.45Å; V227-K245 PolarHBondContact N-O 3.27Å; V227-K245 PolarHBondContact O-N 3.44Å; V229-K245 HydrophobicContact CB-CB 4.49Å; V229-K245 HydrophobicContact CG1-CB 3.7Å; V229-K245 HydrophobicContact CG2-CB 3.96Å; L234-K245 HydrophobicContact CD1-CD 4.1Å; K245-L263 HydrophobicContact CB-CD2 4.19Å; K245-L263 HydrophobicContact CD-CD2 4.35Å; K245-L263 HydrophobicContact CG-CD2 4.21Å; K245-L264 WeakPolarHBondContact CE-O 3.47Å
246Y95.9Very high90.8Very high97 Ų9763.9 Ų63.938%0.3835%0.348SS..EExtended strand (participates in β ladder)trans-79.9138.8175.7-62.3-58.7000111.2K205 V224 V225 E226 L264K205-Y246 HydrophobicContact CB-CD1 4.3Å; K205-Y246 HydrophobicContact CB-CE1 3.92Å; K205-Y246 HydrophobicContact CD-CE1 4.24Å; K205-Y246 HydrophobicContact CG-CD1 4.43Å; K205-Y246 HydrophobicContact CG-CE1 3.72Å; V224-Y246 HydrophobicContact CG1-CD1 4.1Å; V224-Y246 HydrophobicContact CG1-CG 4.26Å; V225-Y246 CarbonylContact O-C 3.44Å; V225-Y246 WeakPolarHBondContact O-CA 3.39Å; E226-Y246 HydrophobicContact CB-CD1 4.28Å; E226-Y246 HydrophobicContact CB-CE1 4.31Å; E226-Y246 HydrophobicContact CG-CE1 4.42Å; Y246-L264 PolarHBondContact O-N 2.91Å
247A96.3Very high91.1Very high0 Ų063.1 Ų63.10%035%0.352CS..EExtended strand (participates in β ladder)trans-130.4145.4171.900000109.5V188 V224 V225 V227 A261 V262 L263V188-A247 HydrophobicContact CG1-CB 4.32Å; V224-A247 WeakPolarHBondContact CA-O 3.22Å; V225-A247 HydrophobicContact CG2-CB 4.17Å; V225-A247 WeakPolarHBondContact CG2-O 3.4Å; V225-A247 PolarHBondContact N-O 3.03Å; V225-A247 PolarHBondContact O-N 3.09Å; V227-A247 HydrophobicContact CG1-CB 4.31Å; V227-A247 HydrophobicContact CG2-CB 3.99Å; A247-A261 HydrophobicContact CB-CB 3.93Å; A247-V262 CarbonylContact C-O 3.59Å; A247-V262 VanDerWaalsContact CA-O 3.23Å; A247-V262 WeakPolarHBondContact CA-O 3.28Å; A247-L263 HydrophobicContact CB-CD2 4.2Å
248Q96.1Very high91.7Very high5 Ų559.3 Ų59.32%0.02334%0.34CS..EExtended strand (participates in β ladder)trans-104.6127.5175.6-171.8176.539.800110.4P125 L126 G222 A261 V262 L264P125-Q248 VanDerWaalsContact CD-OE1 3.28Å; L126-Q248 PolarHBondContact O-NE2 2.92Å; G222-Q248 PolarHBondContact O-NE2 2.96Å; Q248-A261 CarbonylContact O-C 3.55Å; Q248-A261 WeakPolarHBondContact O-CA 3.36Å; Q248-A261 WeakPolarHBondContact O-CB 3.38Å; Q248-V262 PolarHBondContact N-O 3.18Å; Q248-V262 PolarHBondContact O-N 3.27Å; Q248-L264 HydrophobicContact CB-CD2 4.04Å; Q248-L264 HydrophobicContact CB-CG 4.49Å
249V96.7Very high92.3Very high0 Ų056.2 Ų56.20%031%0.308CS..EExtended strand (participates in β ladder)trans-70.7129.1177.4178.40000110.4I219 G222 T223 V225 I259 N260 A261I219-V249 HydrophobicContact CG2-CB 4.44Å; I219-V249 HydrophobicContact CG2-CG1 4.25Å; I219-V249 HydrophobicContact CG2-CG2 3.78Å; G222-V249 WeakPolarHBondContact CA-O 3.06Å; G222-V249 PolarHBondContact N-O 3.24Å; T223-V249 PolarHBondContact O-N 3.25Å; V225-V249 HydrophobicContact CG1-CG2 4.23Å; V225-V249 HydrophobicContact CG2-CG2 4.24Å; V249-I259 HydrophobicContact CG1-CG2 4.26Å; V249-I259 HydrophobicContact CG2-CG2 3.8Å; V249-N260 CarbonylContact C-O 3.57Å; V249-N260 WeakPolarHBondContact CA-O 3.42Å; V249-A261 HydrophobicContact CG2-CB 4.29Å
250T95.3Very high92.9Very high47 Ų4756.4 Ų56.429%0.28830%0.296SS..  trans-104.4-27.3-173.555.40000113.9L126 K221 N260 V262L126-T250 HydrophobicContact CD1-CG2 4.31Å; K221-T250 WeakPolarHBondContact CE-O 3.28Å; T250-N260 PolarHBondContact N-O 3.49Å; T250-N260 PolarHBondContact OG1-O 3.13Å; T250-V262 HydrophobicContact CG2-CB 4.24Å; T250-V262 HydrophobicContact CG2-CG2 3.6Å
251N94.9Very high93.3Very high18 Ų1848.6 Ų48.610%0.09626%0.262CS..SBendtrans-98.7178.9-17976.6-45.6000112.9K221 P253 D256 C258 N260K221-N251 WeakPolarHBondContact CA-O 3.18Å; K221-N251 WeakPolarHBondContact CB-O 3.41Å; N251-P253 WeakPolarHBondContact O-CD 2.92Å; N251-D256 PolarHBondContact ND2-OD2 3.3Å; N251-C258 PolarHBondContact ND2-O 3.36Å; N251-N260 HydrophobicContact CB-CB 4.25Å; N251-N260 PolarHBondContact OD1-N 3.35Å; N251-N260 PolarHBondContact OD1-O 3.26Å
252N93.6Very high93.8Very high58 Ų5845.8 Ų45.831%0.3125%0.245SC..  trans-101.194.1170.3-67.1-46000108K221 E254 N255K221-N252 WeakPolarHBondContact CB-OD1 3.42Å; N252-E254 VanDerWaalsContact C-OE2 3.3Å; N252-E254 PolarHBondContact O-N 3.12Å; N252-E254 VanDerWaalsContact O-N 3.09Å; N252-N255 PolarHBondContact O-N 2.94Å; N252-N255 VanDerWaalsContact O-N 3.09Å
253P93.6Very high93.9Very high1 Ų143.4 Ų43.41%0.00623%0.232CC..Hα-helixtrans-64-20.9-168.428.7-38.2000113.6V158 I219 N251 N255 G257 C258 I259V158-P253 HydrophobicContact CB-CB 4.07Å; V158-P253 HydrophobicContact CB-CG 3.99Å; V158-P253 HydrophobicContact CG1-CB 4.36Å; V158-P253 HydrophobicContact CG2-CB 3.9Å; V158-P253 HydrophobicContact CG2-CG 4.23Å; I219-P253 HydrophobicContact CG2-CG 4.28Å; I219-P253 WeakPolarHBondContact O-CG 3.49Å; N251-P253 WeakPolarHBondContact O-CD 2.92Å; P253-N255 VanDerWaalsContact C-N 3.29Å; P253-N255 PolarHBondContact O-N 3Å; P253-G257 PolarHBondContact O-N 3.36Å; P253-C258 WeakPolarHBondContact CA-O 3.42Å; P253-C258 WeakPolarHBondContact CB-O 3.31Å; P253-I259 HydrophobicContact CB-CG1 3.99Å
254E88.1Confident93.9Very high52 Ų5238.2 Ų38.224%0.24322%0.216CC..Hα-helixtrans-65.2-25.4175.264.8-90.6-14700114.8K157 N252K157-E254 HydrophobicContact CD-CB 4.06Å; K157-E254 HydrophobicContact CD-CG 3.97Å; K157-E254 IonicContact NZ-OE1 2.63Å; K157-E254 PolarHBondContact NZ-OE1 3.25Å; N252-E254 VanDerWaalsContact C-OE2 3.3Å; N252-E254 PolarHBondContact O-N 3.12Å; N252-E254 VanDerWaalsContact O-N 3.09Å
255N91.5Very high93.4Very high126 Ų12640.5 Ų40.567%0.67423%0.225SC*.Hα-helixtrans-94.2-32.7-178.3-67.5-11.2000111.8N252 P253N252-N255 PolarHBondContact O-N 2.94Å; N252-N255 VanDerWaalsContact O-N 3.09Å; P253-N255 VanDerWaalsContact C-N 3.29Å; P253-N255 PolarHBondContact O-N 3Å
256D90Very high93.4Very high98 Ų9840.5 Ų40.552%0.52423%0.228SC..Hα-helixtrans-99.3-23.9-169.7-54.8-31.7000112.7N251 C258N251-D256 PolarHBondContact ND2-OD2 3.3Å; D256-C258 PolarHBondContact O-N 2.81Å
257G91.3Very high93.2Very high44 Ų4437.5 Ų37.545%0.45422%0.22SC..SBendtrans75.55.5-173.100000114.5F183 P253F183-G257 WeakPolarHBondContact CE2-O 3.44Å; F183-G257 VanDerWaalsContact CZ-O 3.23Å; F183-G257 WeakPolarHBondContact CZ-O 3.35Å; P253-G257 PolarHBondContact O-N 3.36Å
258C93.6Very high93Very high51 Ų5139.6 Ų39.635%0.34523%0.232SC..SBendtrans-125.1146.2177.8-66.40000110.5N251 P253 D256N251-C258 PolarHBondContact ND2-O 3.36Å; P253-C258 WeakPolarHBondContact CA-O 3.42Å; P253-C258 WeakPolarHBondContact CB-O 3.31Å; D256-C258 PolarHBondContact O-N 2.81Å
259I96.4Very high92.9Very high3 Ų341.6 Ų41.62%0.01524%0.244CC..  trans-98107.6168.6-62.2166.3000107.7V158 F183 A186 H187 I201 I219 V249 P253V158-I259 HydrophobicContact CG1-CD1 3.93Å; V158-I259 HydrophobicContact CG1-CG1 4.19Å; F183-I259 HydrophobicContact CB-CD1 3.65Å; F183-I259 HydrophobicContact CD2-CD1 3.7Å; F183-I259 HydrophobicContact CD2-CG1 3.78Å; F183-I259 HydrophobicContact CG-CD1 4.19Å; A186-I259 HydrophobicContact CB-CB 4.09Å; A186-I259 HydrophobicContact CB-CG2 3.76Å; H187-I259 PolarHBondContact N-O 3.11Å; I201-I259 HydrophobicContact CD1-CD1 3.73Å; I219-I259 HydrophobicContact CD1-CD1 3.69Å; I219-I259 HydrophobicContact CG2-CD1 4.45Å; I219-I259 HydrophobicContact CG2-CG2 4.41Å; V249-I259 HydrophobicContact CG1-CG2 4.26Å; V249-I259 HydrophobicContact CG2-CG2 3.8Å; P253-I259 HydrophobicContact CB-CG1 3.99Å
260N96.6Very high92.6Very high59 Ų5944.3 Ų44.332%0.31626%0.259SS..EExtended strand (participates in β ladder)trans-99.7127.1172.9-62.6-26.1000108.9H187 V249 T250 N251H187-N260 CarbonylContact O-C 3.59Å; H187-N260 WeakPolarHBondContact O-CA 3.25Å; V249-N260 CarbonylContact C-O 3.57Å; V249-N260 WeakPolarHBondContact CA-O 3.42Å; T250-N260 PolarHBondContact N-O 3.49Å; T250-N260 PolarHBondContact OG1-O 3.13Å; N251-N260 HydrophobicContact CB-CB 4.25Å; N251-N260 PolarHBondContact OD1-N 3.35Å; N251-N260 PolarHBondContact OD1-O 3.26Å
261A96.4Very high92.4Very high0 Ų044.1 Ų44.10%026%0.257CS..EExtended strand (participates in β ladder)trans-136.4156.8-177.900000111.7H187 V188 T189 A247 Q248 V249H187-A261 PolarHBondContact O-N 2.78Å; V188-A261 CarbonylContact C-O 3.55Å; V188-A261 WeakPolarHBondContact CA-O 3.19Å; V188-A261 HydrophobicContact CG2-CB 4.42Å; T189-A261 PolarHBondContact N-O 3.48Å; A247-A261 HydrophobicContact CB-CB 3.93Å; Q248-A261 CarbonylContact O-C 3.55Å; Q248-A261 WeakPolarHBondContact O-CA 3.36Å; Q248-A261 WeakPolarHBondContact O-CB 3.38Å; V249-A261 HydrophobicContact CG2-CB 4.29Å
262V95.4Very high92.3Very high34 Ų3445.9 Ų45.921%0.20627%0.269CS..EExtended strand (participates in β ladder)trans-114.9132.4175.2174.70000108.5P191 A247 Q248 T250P191-V262 HydrophobicContact CG-CG1 4.49Å; A247-V262 CarbonylContact C-O 3.59Å; A247-V262 VanDerWaalsContact CA-O 3.23Å; A247-V262 WeakPolarHBondContact CA-O 3.28Å; Q248-V262 PolarHBondContact N-O 3.18Å; Q248-V262 PolarHBondContact O-N 3.27Å; T250-V262 HydrophobicContact CG2-CB 4.24Å; T250-V262 HydrophobicContact CG2-CG2 3.6Å
263L92.8Very high92.2Very high3 Ų345 Ų452%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-64137175.5-76.4168.2000111V188 T189 H190 V227 V229 L232 K245 A247 V265V188-L263 HydrophobicContact CG1-CD1 3.95Å; V188-L263 HydrophobicContact CG1-CD2 3.65Å; V188-L263 HydrophobicContact CG1-CG 3.36Å; T189-L263 PolarHBondContact O-N 3.47Å; H190-L263 HydrophobicContact CB-CD1 4.12Å; V227-L263 HydrophobicContact CG2-CD2 3.88Å; V229-L263 HydrophobicContact CG1-CD2 4.14Å; L232-L263 HydrophobicContact CD1-CD1 3.73Å; K245-L263 HydrophobicContact CB-CD2 4.19Å; K245-L263 HydrophobicContact CD-CD2 4.35Å; K245-L263 HydrophobicContact CG-CD2 4.21Å; A247-L263 HydrophobicContact CB-CD2 4.2Å; L263-V265 HydrophobicContact CB-CG2 4.13Å
264L90Very high92Very high43 Ų4348.7 Ų48.723%0.22529%0.287CS..  trans-87.3108.6169.9-56.2-179.3000107.8V124 P125 V224 K245 Y246 Q248V124-L264 HydrophobicContact CB-CD2 4.5Å; V124-L264 HydrophobicContact CG1-CD1 4.07Å; V124-L264 HydrophobicContact CG1-CD2 4.34Å; P125-L264 HydrophobicContact CG-CD2 4.05Å; V224-L264 HydrophobicContact CG1-CD1 4.24Å; K245-L264 WeakPolarHBondContact CE-O 3.47Å; Y246-L264 PolarHBondContact O-N 2.91Å; Q248-L264 HydrophobicContact CB-CD2 4.04Å; Q248-L264 HydrophobicContact CB-CG 4.49Å
265V82.5Confident92.4Very high71 Ų7148.4 Ų48.443%0.4329%0.291SS..  trans-105.20-172.1-178.80000113.3K114 P191 L263K114-V265 PolarHBondContact NZ-O 3Å; K114-V265 PolarHBondContact NZ-OXT 3.2Å; P191-V265 HydrophobicContact CG-CG2 4.07Å; L263-V265 HydrophobicContact CB-CG2 4.13Å

Retrieved 265 of 265 residues in 336.1 ms (Link to these results)