A0A087XEW1_POEFO Loading...

2-(3-amino-3-carboxypropyl)histidine synthase subunit 1

Catalyzes the first step of diphthamide biosynthesis, a post-translational modification of histidine which occurs in elongation factor 2.

AlphaFold DB , UniProt , Accession A0A087XEW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.1Very low37.5Very low241 Ų241167.8 Ų167.8100%1.18786%0.863SS**  0101.30-68.9177.5-171.400107.6
2H29.1Very low38.5Very low198 Ų198162.4 Ų162.492%0.91784%0.843SS**  trans-86.6127.8172.6-90.27.1000108.6
3C30.9Very low39.7Very low129 Ų129155.8 Ų155.887%0.87283%0.827SS**  trans-83.2126.4168.7-77.80000108.8
4D29.2Very low41.4Very low152 Ų152153.1 Ų153.181%0.81381%0.813SS**  trans-96.9115176.3-163.52.6000109.4
5P41.4Very low44.3Very low125 Ų125151.4 Ų151.481%0.81280%0.799SS**  trans-100.982.8-17936-26000110.3
6A38.6Very low47.3Very low83 Ų83144.1 Ų144.169%0.68676%0.76SS**  trans-157.373.8168.600000112.7
7R37.5Very low50.1Low251 Ų251137.9 Ų137.995%0.94773%0.73SS**  trans-124.591.6152.4-79.6-174.6177.6176.71.1108.1
8G40.6Very low52.5Low61 Ų61135.5 Ų135.563%0.62972%0.717SS**  trans-55.9156.3167.500000111R10G8-R10 PolarHBondContact O-N 3.37Å
9P40.9Very low54.8Low128 Ų128135.9 Ų135.983%0.83172%0.715SS**  trans-59.3127.3-176.422.9-30.9000109.9R11P9-R11 PolarHBondContact O-N 2.74Å
10R40.4Very low56.8Low244 Ų244129.3 Ų129.392%0.92168%0.68SS**  trans-57.599.9168.9-91.7177.4159.9170.5-6.2107.7G8 V12G8-R10 PolarHBondContact O-N 3.37Å; R10-V12 PolarHBondContact O-N 2.95Å; R10-V12 VanDerWaalsContact O-N 3.11Å
11R47Very low58.6Low234 Ų234126.1 Ų126.188%0.88366%0.663SS**  trans-55.1119.4167.1-78.1-176175.8-173.5-2.5107.2P9 A13P9-R11 PolarHBondContact O-N 2.74Å; R11-A13 PolarHBondContact O-N 3.45Å; R11-A13 VanDerWaalsContact O-N 3.1Å
12V48.6Very low61.4Low103 Ų103121.2 Ų121.262%0.62464%0.638SS**  trans-60116.9172.2-177.90000105.5R10 N14 Q15R10-V12 PolarHBondContact O-N 2.95Å; R10-V12 VanDerWaalsContact O-N 3.11Å; V12-N14 PolarHBondContact O-N 3.42Å; V12-Q15 PolarHBondContact O-N 3.03Å
13A54.5Low64.7Low76 Ų76113.4 Ų113.463%0.62860%0.603SS**THydrogen-bonded Turntrans-59.9-3.5-167.500000115.1R11R11-A13 PolarHBondContact O-N 3.45Å; R11-A13 VanDerWaalsContact O-N 3.1Å
14N63.5Low67.9Low118 Ų118111.9 Ų111.963%0.63159%0.591SS**THydrogen-bonded Turntrans-117.65.4-176.4-65.8-20.7000114.7V12 W46V12-N14 PolarHBondContact O-N 3.42Å; N14-W46 HydrophobicContact CB-CH2 4.44Å
15Q85.6Confident71.1Confident128 Ų128109.9 Ų109.960%0.59858%0.577SS**PPolyproline II helixtrans-79.2128.6177.2-169.1174.27.800110.1V12 P17V12-Q15 PolarHBondContact O-N 3.03Å; Q15-P17 WeakPolarHBondContact O-CD 3.38Å
16I92.4Very high73.8Confident35 Ų35104 Ų10418%0.17954%0.538CS..PPolyproline II helixtrans-64.5126.4172.6-55.8170.9000107.5I20 L21 H42 K43 W46I16-I20 HydrophobicContact CG2-CB 4.07Å; I16-I20 HydrophobicContact CG2-CG2 4.02Å; I16-L21 HydrophobicContact CB-CD1 4.27Å; I16-L21 HydrophobicContact CB-CD2 4.19Å; I16-L21 HydrophobicContact CB-CG 4.14Å; I16-L21 HydrophobicContact CD1-CD2 4.34Å; I16-L21 HydrophobicContact CG2-CD1 4.44Å; I16-L21 HydrophobicContact CG2-CD2 3.89Å; I16-L21 HydrophobicContact CG2-CG 3.79Å; I16-H42 HydrophobicContact CD1-CB 4.27Å; I16-H42 HydrophobicContact CG2-CB 4.47Å; I16-K43 HydrophobicContact CD1-CB 3.8Å; I16-K43 HydrophobicContact CD1-CG 4.41Å; I16-W46 HydrophobicContact CG1-CD2 4.4Å; I16-W46 HydrophobicContact CG1-CE3 4.1Å; I16-W46 HydrophobicContact CG2-CB 4.09Å; I16-W46 HydrophobicContact CG2-CG 4.42Å
17P94.5Very high76.6Confident38 Ų38104.2 Ų104.225%0.24753%0.525CS..PPolyproline II helixtrans-58.3143.3178.1-2735.5000113.2Q15 E19 I20 L21Q15-P17 WeakPolarHBondContact O-CD 3.38Å; P17-E19 HydrophobicContact CB-CG 3.53Å; P17-E19 PolarHBondContact O-N 3.48Å; P17-I20 PolarHBondContact O-N 2.94Å; P17-L21 PolarHBondContact O-N 3.49Å; P17-L21 VanDerWaalsContact O-N 3.14Å
18D94Very high79.5Confident95 Ų9597.6 Ų97.651%0.50851%0.505SS..Hα-helixtrans-58.9-32.7177.7-68.7-33.3000112.2I20 L21 Q22D18-I20 PolarHBondContact O-N 3.42Å; D18-L21 PolarHBondContact O-N 3.22Å; D18-Q22 VanDerWaalsContact O-CB 3.27Å; D18-Q22 WeakPolarHBondContact O-CB 3.45Å; D18-Q22 WeakPolarHBondContact O-CG 3.3Å; D18-Q22 PolarHBondContact O-N 3.49Å
19E94.6Very high82.2Confident143 Ų14395.6 Ų95.667%0.66848%0.482SS*.Hα-helixtrans-58.8-26.6173.958.1-178.9-16100113.7P17P17-E19 HydrophobicContact CB-CG 3.53Å; P17-E19 PolarHBondContact O-N 3.48Å
20I95.5Very high85Confident3 Ų391.2 Ų91.22%0.01545%0.452CS..Hα-helixtrans-89.8-42.6174.1-66.1176.1000109.7I16 P17 D18 Q22 D23 L26 H42 V45 W46I16-I20 HydrophobicContact CG2-CB 4.07Å; I16-I20 HydrophobicContact CG2-CG2 4.02Å; P17-I20 PolarHBondContact O-N 2.94Å; D18-I20 PolarHBondContact O-N 3.42Å; I20-Q22 VanDerWaalsContact C-N 3.3Å; I20-Q22 PolarHBondContact O-N 2.97Å; I20-D23 PolarHBondContact O-N 2.95Å; I20-L26 HydrophobicContact CG2-CD2 3.82Å; I20-H42 HydrophobicContact CG2-CB 4.26Å; I20-H42 PolarHBondContact O-CD2 3.24Å; I20-V45 HydrophobicContact CD1-CG1 4.43Å; I20-V45 HydrophobicContact CG2-CG1 4.38Å; I20-W46 HydrophobicContact CD1-CB 3.71Å; I20-W46 HydrophobicContact CD1-CG 4.32Å
21L95.2Very high87.7Confident64 Ų6486.3 Ų86.334%0.33544%0.437SS..Hα-helixtrans-66-32.7-178-69.3172.8000113.1I16 P17 D18 Q27 H42I16-L21 HydrophobicContact CB-CD1 4.27Å; I16-L21 HydrophobicContact CB-CD2 4.19Å; I16-L21 HydrophobicContact CB-CG 4.14Å; I16-L21 HydrophobicContact CD1-CD2 4.34Å; I16-L21 HydrophobicContact CG2-CD1 4.44Å; I16-L21 HydrophobicContact CG2-CD2 3.89Å; I16-L21 HydrophobicContact CG2-CG 3.79Å; P17-L21 PolarHBondContact O-N 3.49Å; P17-L21 VanDerWaalsContact O-N 3.14Å; D18-L21 PolarHBondContact O-N 3.22Å; L21-Q27 PolarHBondContact O-NE2 2.88Å; L21-H42 HydrophobicContact CD2-CB 4.09Å
22Q95.8Very high90Very high138 Ų13879.9 Ų79.965%0.64542%0.423SS*.THydrogen-bonded Turntrans-104.58.7-175.9-57.1179.68.900112.6D18 I20 P24D18-Q22 VanDerWaalsContact O-CB 3.27Å; D18-Q22 WeakPolarHBondContact O-CB 3.45Å; D18-Q22 WeakPolarHBondContact O-CG 3.3Å; D18-Q22 PolarHBondContact O-N 3.49Å; I20-Q22 VanDerWaalsContact C-N 3.3Å; I20-Q22 PolarHBondContact O-N 2.97Å; Q22-P24 VanDerWaalsContact O-CD 3.25Å; Q22-P24 WeakPolarHBondContact O-CD 3.37Å
23D97.6Very high92.4Very high34 Ų3475.5 Ų75.518%0.18240%0.397CS..  trans-66.6112.1175.4-177.3-28.3000109.6I20 E25 L26 Q27I20-D23 PolarHBondContact O-N 2.95Å; D23-E25 VanDerWaalsContact C-N 3.3Å; D23-E25 PolarHBondContact O-N 2.66Å; D23-E25 WeakPolarHBondContact OD1-CB 3.25Å; D23-E25 PolarHBondContact OD1-N 2.54Å; D23-L26 HydrophobicContact CB-CB 3.84Å; D23-L26 PolarHBondContact O-N 3.29Å; D23-L26 PolarHBondContact OD1-N 2.93Å; D23-L26 VanDerWaalsContact OD1-N 3.1Å; D23-Q27 VanDerWaalsContact O-CG 3.3Å; D23-Q27 WeakPolarHBondContact O-CG 3.29Å; D23-Q27 PolarHBondContact O-N 3.18Å
24P97.6Very high94.4Very high96 Ų9673.5 Ų73.562%0.62338%0.377SS*.Hα-helixtrans-68.1-29.9-175.528.4-34.6000112.5Q22 E28Q22-P24 VanDerWaalsContact O-CD 3.25Å; Q22-P24 WeakPolarHBondContact O-CD 3.37Å; P24-E28 WeakPolarHBondContact O-CB 3.27Å; P24-E28 PolarHBondContact O-N 3.49Å; P24-E28 VanDerWaalsContact O-N 3.08Å
25E98.1Very high95.9Very high111 Ų11173.4 Ų73.452%0.51939%0.385SS..Hα-helixtrans-73.3-40.5178.4-65.6-170-168.500110.8D23 E28 A29 R77 F78D23-E25 VanDerWaalsContact C-N 3.3Å; D23-E25 PolarHBondContact O-N 2.66Å; D23-E25 WeakPolarHBondContact OD1-CB 3.25Å; D23-E25 PolarHBondContact OD1-N 2.54Å; E25-E28 PolarHBondContact O-N 3.35Å; E25-A29 WeakPolarHBondContact O-CB 3.47Å; E25-A29 PolarHBondContact O-N 3.47Å; E25-R77 IonicContact OE2-CZ 3.29Å; E25-R77 IonicContact OE2-NE 3.9Å; E25-R77 IonicContact OE2-NH2 2.67Å; E25-R77 PolarHBondContact OE2-NH2 2.88Å; E25-F78 VanDerWaalsContact C-CZ 3.42Å; E25-F78 HydrophobicContact CB-CE1 3.83Å; E25-F78 HydrophobicContact CB-CZ 3.82Å
26L98.1Very high96.4Very high1 Ų170.1 Ų70.11%0.00537%0.372CS..Hα-helixtrans-65.2-44176.2179.655.9000111I20 D23 E28 A29 I30 I41 V45 I74 F78I20-L26 HydrophobicContact CG2-CD2 3.82Å; D23-L26 HydrophobicContact CB-CB 3.84Å; D23-L26 PolarHBondContact O-N 3.29Å; D23-L26 PolarHBondContact OD1-N 2.93Å; D23-L26 VanDerWaalsContact OD1-N 3.1Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 3.48Å; L26-A29 PolarHBondContact O-N 2.85Å; L26-I30 HydrophobicContact CD1-CD1 3.98Å; L26-I30 HydrophobicContact CD1-CG1 4.21Å; L26-I30 HydrophobicContact CG-CD1 3.91Å; L26-I30 VanDerWaalsContact O-CG1 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.33Å; L26-I41 HydrophobicContact CD1-CG2 4.18Å; L26-V45 HydrophobicContact CD1-CG2 4.34Å; L26-V45 HydrophobicContact CD2-CG2 4.44Å; L26-I74 HydrophobicContact CD1-CG2 3.66Å; L26-F78 HydrophobicContact CB-CD1 3.95Å; L26-F78 HydrophobicContact CB-CE1 3.71Å; L26-F78 HydrophobicContact CB-CE2 4.41Å; L26-F78 HydrophobicContact CB-CG 4.42Å; L26-F78 HydrophobicContact CB-CZ 3.98Å; L26-F78 HydrophobicContact CD1-CB 4.44Å; L26-F78 HydrophobicContact CD1-CD1 4.28Å; L26-F78 HydrophobicContact CD1-CD2 3.68Å; L26-F78 HydrophobicContact CD1-CE2 3.95Å; L26-F78 HydrophobicContact CD1-CG 3.87Å; L26-F78 HydrophobicContact CD1-CZ 4.38Å; L26-F78 VanDerWaalsContact N-CZ 3.31Å
27Q97.5Very high96.7Very high88 Ų8870.8 Ų70.841%0.41137%0.373SS..Hα-helixtrans-59.3-41.8176-74.3179.42.600112L21 D23 K31L21-Q27 PolarHBondContact O-NE2 2.88Å; D23-Q27 VanDerWaalsContact O-CG 3.3Å; D23-Q27 WeakPolarHBondContact O-CG 3.29Å; D23-Q27 PolarHBondContact O-N 3.18Å; Q27-K31 WeakPolarHBondContact O-CG 3.47Å
28E97.9Very high96.8Very high112 Ų11272.6 Ų72.652%0.52338%0.38SS..Hα-helixtrans-65.7-45.2176.2-171.859.3-150.700111.5P24 E25 L26 I30 K31P24-E28 WeakPolarHBondContact O-CB 3.27Å; P24-E28 PolarHBondContact O-N 3.49Å; P24-E28 VanDerWaalsContact O-N 3.08Å; E25-E28 PolarHBondContact O-N 3.35Å; L26-E28 VanDerWaalsContact C-N 3.3Å; L26-E28 PolarHBondContact O-N 3.48Å; E28-I30 VanDerWaalsContact C-N 3.27Å; E28-I30 PolarHBondContact O-N 3.35Å; E28-K31 WeakPolarHBondContact O-CB 3.38Å; E28-K31 PolarHBondContact O-N 3.46Å; E28-K31 VanDerWaalsContact O-N 3.11Å; E28-K31 WeakPolarHBondContact OE2-CD 3.41Å; E28-K31 WeakPolarHBondContact OE2-CE 3.35Å; E28-K31 IonicContact OE2-NZ 2.74Å; E28-K31 PolarHBondContact OE2-NZ 2.94Å
29A97.9Very high97Very high18 Ų1868.3 Ų68.315%0.14936%0.357CS..Hα-helixtrans-61.4-35.3179.700000112.5E25 L26 K31 V32 I74 F78E25-A29 WeakPolarHBondContact O-CB 3.47Å; E25-A29 PolarHBondContact O-N 3.47Å; L26-A29 PolarHBondContact O-N 2.85Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 3.24Å; A29-V32 VanDerWaalsContact O-CG2 3.28Å; A29-V32 WeakPolarHBondContact O-CG2 3.18Å; A29-I74 HydrophobicContact CB-CD1 4.49Å; A29-I74 HydrophobicContact CB-CG1 4.03Å; A29-F78 HydrophobicContact CB-CE2 3.82Å; A29-F78 HydrophobicContact CB-CZ 4.29Å
30I97.9Very high97.1Very high37 Ų3764 Ų6419%0.1934%0.337CS..Hα-helixtrans-65.6-25.8178-71.3165.5000112.6L26 E28 V32 L33 I41 H42L26-I30 HydrophobicContact CD1-CD1 3.98Å; L26-I30 HydrophobicContact CD1-CG1 4.21Å; L26-I30 HydrophobicContact CG-CD1 3.91Å; L26-I30 VanDerWaalsContact O-CG1 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.33Å; E28-I30 VanDerWaalsContact C-N 3.27Å; E28-I30 PolarHBondContact O-N 3.35Å; I30-V32 PolarHBondContact O-N 3Å; I30-L33 WeakPolarHBondContact O-CB 3.45Å; I30-L33 PolarHBondContact O-N 3.07Å; I30-I41 HydrophobicContact CD1-CB 3.8Å; I30-I41 HydrophobicContact CD1-CG2 3.75Å; I30-I41 HydrophobicContact CG1-CB 3.91Å; I30-I41 HydrophobicContact CG1-CG1 4.24Å; I30-I41 HydrophobicContact CG1-CG2 3.71Å; I30-H42 VanDerWaalsContact CD1-CE1 3.41Å; I30-H42 WeakPolarHBondContact CD1-CE1 3.42Å
31K97.1Very high97.3Very high140 Ų14064.2 Ų64.261%0.60934%0.338SS*.THydrogen-bonded Turntrans-63.7-14.9-176-68.3175.3-173.8170.90114.4Q27 E28 A29 L33Q27-K31 WeakPolarHBondContact O-CG 3.47Å; E28-K31 WeakPolarHBondContact O-CB 3.38Å; E28-K31 PolarHBondContact O-N 3.46Å; E28-K31 VanDerWaalsContact O-N 3.11Å; E28-K31 WeakPolarHBondContact OE2-CD 3.41Å; E28-K31 WeakPolarHBondContact OE2-CE 3.35Å; E28-K31 IonicContact OE2-NZ 2.74Å; E28-K31 PolarHBondContact OE2-NZ 2.94Å; A29-K31 VanDerWaalsContact C-N 3.26Å; A29-K31 PolarHBondContact O-N 3.24Å; K31-L33 PolarHBondContact O-N 3.18Å
32V96.8Very high97.4Very high99 Ų9963.4 Ų63.460%0.633%0.332SS*.THydrogen-bonded Turntrans-69.8-20.7172.9-530000112.4A29 I30 A70A29-V32 VanDerWaalsContact O-CG2 3.28Å; A29-V32 WeakPolarHBondContact O-CG2 3.18Å; I30-V32 PolarHBondContact O-N 3Å; V32-A70 HydrophobicContact CG2-CB 3.93Å
33L97.7Very high97.5Very high12 Ų1260 Ų606%0.06332%0.316CS..SBendtrans-86147.8176.5-56.9176.5000110.1I30 K31 S35 F39 I41 F67 A70 I71 I74I30-L33 WeakPolarHBondContact O-CB 3.45Å; I30-L33 PolarHBondContact O-N 3.07Å; K31-L33 PolarHBondContact O-N 3.18Å; L33-S35 PolarHBondContact O-N 3.01Å; L33-F39 HydrophobicContact CB-CD2 4.07Å; L33-F39 HydrophobicContact CB-CE2 4.2Å; L33-F39 HydrophobicContact CD1-CB 4.25Å; L33-F39 HydrophobicContact CD1-CD2 3.94Å; L33-F39 HydrophobicContact CD1-CG 4.21Å; L33-F39 HydrophobicContact CG-CD2 4.44Å; L33-I41 HydrophobicContact CD1-CD1 3.87Å; L33-I41 HydrophobicContact CD1-CG1 3.71Å; L33-F67 HydrophobicContact CD2-CB 3.93Å; L33-F67 HydrophobicContact CD2-CD1 4.03Å; L33-F67 HydrophobicContact CD2-CG 4.25Å; L33-A70 HydrophobicContact CD2-CB 4.21Å; L33-I71 HydrophobicContact CD1-CG1 4.15Å; L33-I71 HydrophobicContact CD2-CG1 4.1Å; L33-I74 HydrophobicContact CD1-CD1 4.41Å
34P96.8Very high97.5Very high33 Ų3358.4 Ų58.421%0.21431%0.307CS..  trans-62.7126.1-179.623.3-32.4000111.1N36 Y37 F39 F67P34-N36 PolarHBondContact O-N 3.44Å; P34-Y37 HydrophobicContact CB-CD2 3.81Å; P34-Y37 HydrophobicContact CB-CE2 4.42Å; P34-Y37 HydrophobicContact CB-CG 4.47Å; P34-Y37 HydrophobicContact CG-CD2 3.68Å; P34-Y37 HydrophobicContact CG-CE2 4.36Å; P34-Y37 HydrophobicContact CG-CG 3.91Å; P34-Y37 PolarHBondContact O-N 2.85Å; P34-F39 HydrophobicContact CG-CE2 4Å; P34-F67 HydrophobicContact CG-CE1 3.84Å; P34-F67 HydrophobicContact CG-CE2 4.24Å; P34-F67 HydrophobicContact CG-CZ 3.61Å
35S96Very high97.5Very high116 Ų11653.9 Ų53.981%0.81128%0.277SS*.THydrogen-bonded Turntrans-65.7-21.6-17360.30000114.1L33 Y37L33-S35 PolarHBondContact O-N 3.01Å; S35-Y37 VanDerWaalsContact C-N 3.3Å
36N95.9Very high97.5Very high59 Ų5949.8 Ų49.832%0.31626%0.257SS..THydrogen-bonded Turntrans-83.6-3.1176.266.2-52.5000113.1P34 I135 Q136P34-N36 PolarHBondContact O-N 3.44Å; N36-I135 CarbonylContact O-C 3.56Å; N36-I135 WeakPolarHBondContact O-CA 3.3Å; N36-Q136 HydrophobicContact CB-CB 4.15Å; N36-Q136 PolarHBondContact O-N 2.68Å
37Y97.4Very high97.5Very high49 Ų4953.7 Ų53.719%0.19227%0.272CS..EExtended strand (participates in β ladder)trans-110.3124.6175.7-71.2-119.3000109.7P34 S35 F39 L64 V133 I135 Y237P34-Y37 HydrophobicContact CB-CD2 3.81Å; P34-Y37 HydrophobicContact CB-CE2 4.42Å; P34-Y37 HydrophobicContact CB-CG 4.47Å; P34-Y37 HydrophobicContact CG-CD2 3.68Å; P34-Y37 HydrophobicContact CG-CE2 4.36Å; P34-Y37 HydrophobicContact CG-CG 3.91Å; P34-Y37 PolarHBondContact O-N 2.85Å; S35-Y37 VanDerWaalsContact C-N 3.3Å; Y37-F39 VanDerWaalsContact CB-CE2 3.49Å; Y37-F39 HydrophobicContact CD1-CZ 4.34Å; Y37-F39 HydrophobicContact CG-CE2 4.28Å; Y37-F39 PolarHBondContact O-N 3.08Å; Y37-L64 HydrophobicContact CD1-CD2 4.07Å; Y37-L64 HydrophobicContact CE1-CD2 3.99Å; Y37-V133 HydrophobicContact CD1-CG1 3.67Å; Y37-V133 HydrophobicContact CG-CG1 4.33Å; Y37-I135 HydrophobicContact CD1-CD1 3.88Å; Y37-I135 HydrophobicContact CD1-CG1 3.75Å; Y37-I135 HydrophobicContact CD2-CG2 4.44Å; Y37-I135 HydrophobicContact CE1-CD1 3.39Å; Y37-I135 HydrophobicContact CE1-CG1 3.77Å; Y37-I135 HydrophobicContact CE2-CG2 4.17Å; Y37-I135 HydrophobicContact CG-CG1 4.19Å; Y37-Y237 PolarHBondContact OH-OH 2.65Å
38N97.4Very high97.5Very high76 Ų7649.6 Ų49.641%0.40625%0.253SS..EExtended strand (participates in β ladder)trans-90.990.3177.5-176.610.7000111.9E40 V133 D134N38-E40 PolarHBondContact O-N 3Å; N38-E40 PolarHBondContact OD1-N 2.99Å; N38-E40 VanDerWaalsContact OD1-N 3.08Å; N38-V133 WeakPolarHBondContact O-CA 3.5Å; N38-D134 HydrophobicContact CB-CB 4.27Å; N38-D134 PolarHBondContact N-O 3.2Å
39F97.9Very high97.5Very high5 Ų549.3 Ų49.32%0.02225%0.247CC..  trans-76.61.7174.8-68.4-83000114.7L33 P34 Y37 I41 L64 F67 I71 Y112 V131 V133L33-F39 HydrophobicContact CB-CD2 4.07Å; L33-F39 HydrophobicContact CB-CE2 4.2Å; L33-F39 HydrophobicContact CD1-CB 4.25Å; L33-F39 HydrophobicContact CD1-CD2 3.94Å; L33-F39 HydrophobicContact CD1-CG 4.21Å; L33-F39 HydrophobicContact CG-CD2 4.44Å; P34-F39 HydrophobicContact CG-CE2 4Å; Y37-F39 VanDerWaalsContact CB-CE2 3.49Å; Y37-F39 HydrophobicContact CD1-CZ 4.34Å; Y37-F39 HydrophobicContact CG-CE2 4.28Å; Y37-F39 PolarHBondContact O-N 3.08Å; F39-I41 HydrophobicContact CB-CD1 3.73Å; F39-I41 HydrophobicContact CB-CG1 3.9Å; F39-I41 PolarHBondContact O-N 2.96Å; F39-I41 VanDerWaalsContact O-N 3.08Å; F39-L64 HydrophobicContact CE1-CD1 4.43Å; F39-L64 HydrophobicContact CE1-CD2 4.29Å; F39-L64 HydrophobicContact CZ-CD2 4.22Å; F39-F67 HydrophobicContact CE1-CB 4.47Å; F39-F67 HydrophobicContact CE1-CD2 4.11Å; F39-F67 HydrophobicContact CE2-CD2 4.38Å; F39-F67 HydrophobicContact CZ-CB 4.29Å; F39-F67 AromaticContact CZ-CD2 3.47Å; F39-F67 HydrophobicContact CZ-CD2 3.47Å; F39-F67 VanDerWaalsContact CZ-CD2 3.47Å; F39-F67 AromaticContact CZ-CE2 3.96Å; F39-F67 HydrophobicContact CZ-CE2 3.96Å; F39-F67 AromaticContact CZ-CG 3.9Å; F39-F67 HydrophobicContact CZ-CG 3.9Å; F39-I71 HydrophobicContact CD1-CD1 3.75Å; F39-I71 HydrophobicContact CE1-CD1 4.06Å; F39-I71 HydrophobicContact CG-CD1 4.35Å; F39-Y112 HydrophobicContact CB-CE1 4.29Å; F39-Y112 AromaticContact CD1-CD1 3.93Å; F39-Y112 HydrophobicContact CD1-CD1 3.93Å; F39-Y112 AromaticContact CD1-CE1 3.93Å; F39-Y112 HydrophobicContact CD1-CE1 3.93Å; F39-V131 WeakPolarHBondContact O-CG1 3.39Å; F39-V133 HydrophobicContact CD1-CG1 4.46Å; F39-V133 HydrophobicContact CD1-CG2 4.14Å; F39-V133 HydrophobicContact CE1-CG1 4.27Å; F39-V133 HydrophobicContact CE1-CG2 4.33Å; F39-V133 HydrophobicContact CZ-CG1 4.46Å
40E97.6Very high97.4Very high53 Ų5352.9 Ų52.925%0.24826%0.261CS..  trans49.933.6-179.8-59.8-16817400114.8N38 H42 K43 T44 V131N38-E40 PolarHBondContact O-N 3Å; N38-E40 PolarHBondContact OD1-N 2.99Å; N38-E40 VanDerWaalsContact OD1-N 3.08Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.41Å; E40-K43 HydrophobicContact CB-CB 4.18Å; E40-K43 HydrophobicContact CB-CD 4.34Å; E40-K43 WeakPolarHBondContact O-CA 3.31Å; E40-K43 VanDerWaalsContact O-CB 3.28Å; E40-K43 WeakPolarHBondContact O-CB 3.35Å; E40-K43 PolarHBondContact O-N 3.25Å; E40-K43 IonicContact OE1-NZ 3.46Å; E40-K43 WeakPolarHBondContact OE2-CD 3.18Å; E40-K43 WeakPolarHBondContact OE2-CE 3.42Å; E40-K43 IonicContact OE2-NZ 3.4Å; E40-K43 PolarHBondContact OE2-NZ 3.14Å; E40-T44 PolarHBondContact O-N 3.44Å; E40-T44 PolarHBondContact O-OG1 2.92Å; E40-V131 HydrophobicContact CB-CG1 4.06Å; E40-V131 HydrophobicContact CB-CG2 4.34Å; E40-V131 HydrophobicContact CG-CG1 4.1Å
41I98.3Very high97.3Very high7 Ų751.9 Ų51.94%0.03626%0.258CS..Hα-helixtrans-55.1-43.8-171.2-60.3-58.7000113.3L26 I30 L33 F39 K43 T44 V45 I71 I74L26-I41 HydrophobicContact CD1-CG2 4.18Å; I30-I41 HydrophobicContact CD1-CB 3.8Å; I30-I41 HydrophobicContact CD1-CG2 3.75Å; I30-I41 HydrophobicContact CG1-CB 3.91Å; I30-I41 HydrophobicContact CG1-CG1 4.24Å; I30-I41 HydrophobicContact CG1-CG2 3.71Å; L33-I41 HydrophobicContact CD1-CD1 3.87Å; L33-I41 HydrophobicContact CD1-CG1 3.71Å; F39-I41 HydrophobicContact CB-CD1 3.73Å; F39-I41 HydrophobicContact CB-CG1 3.9Å; F39-I41 PolarHBondContact O-N 2.96Å; F39-I41 VanDerWaalsContact O-N 3.08Å; I41-K43 VanDerWaalsContact C-N 3.26Å; I41-K43 PolarHBondContact O-N 3.13Å; I41-T44 WeakPolarHBondContact O-CB 3.33Å; I41-T44 PolarHBondContact O-N 3.13Å; I41-T44 VanDerWaalsContact O-N 3.1Å; I41-V45 HydrophobicContact CG2-CG2 4.34Å; I41-V45 WeakPolarHBondContact O-CG2 3.43Å; I41-V45 PolarHBondContact O-N 3.28Å; I41-I71 HydrophobicContact CD1-CG1 4.12Å; I41-I71 HydrophobicContact CD1-CG2 4.28Å; I41-I74 HydrophobicContact CG2-CG2 3.65Å
42H97.9Very high97.3Very high47 Ų4753.3 Ų53.322%0.21826%0.264CS..Hα-helixtrans-56.3-41.6175.9-62.7103.1000112.3I16 I20 L21 I30 E40 W46I16-H42 HydrophobicContact CD1-CB 4.27Å; I16-H42 HydrophobicContact CG2-CB 4.47Å; I20-H42 HydrophobicContact CG2-CB 4.26Å; I20-H42 PolarHBondContact O-CD2 3.24Å; L21-H42 HydrophobicContact CD2-CB 4.09Å; I30-H42 VanDerWaalsContact CD1-CE1 3.41Å; I30-H42 WeakPolarHBondContact CD1-CE1 3.42Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.41Å; H42-W46 WeakPolarHBondContact O-CB 3.36Å; H42-W46 PolarHBondContact O-N 2.94Å
43K97.4Very high97.3Very high68 Ų6848.8 Ų48.830%0.29624%0.238SC..Hα-helixtrans-68.6-42177.2-172.5-167.7178.6-178.30110.3I16 E40 I41 W46 R47 L129I16-K43 HydrophobicContact CD1-CB 3.8Å; I16-K43 HydrophobicContact CD1-CG 4.41Å; E40-K43 HydrophobicContact CB-CB 4.18Å; E40-K43 HydrophobicContact CB-CD 4.34Å; E40-K43 WeakPolarHBondContact O-CA 3.31Å; E40-K43 VanDerWaalsContact O-CB 3.28Å; E40-K43 WeakPolarHBondContact O-CB 3.35Å; E40-K43 PolarHBondContact O-N 3.25Å; E40-K43 IonicContact OE1-NZ 3.46Å; E40-K43 WeakPolarHBondContact OE2-CD 3.18Å; E40-K43 WeakPolarHBondContact OE2-CE 3.42Å; E40-K43 IonicContact OE2-NZ 3.4Å; E40-K43 PolarHBondContact OE2-NZ 3.14Å; I41-K43 VanDerWaalsContact C-N 3.26Å; I41-K43 PolarHBondContact O-N 3.13Å; K43-W46 HydrophobicContact CG-CE3 4.45Å; K43-W46 PolarHBondContact O-N 2.92Å; K43-R47 HydrophobicContact CG-CG 4.18Å; K43-R47 WeakPolarHBondContact O-CB 3.43Å; K43-R47 WeakPolarHBondContact O-CG 3.35Å; K43-R47 PolarHBondContact O-N 3.29Å; K43-L129 HydrophobicContact CD-CD1 4.41Å
44T98.1Very high97.3Very high0 Ų053.7 Ų53.70%026%0.259CS..Hα-helixtrans-58.2-53.1176.6-60.80000111E40 I41 W46 R47 V48 I75 V110 L129E40-T44 PolarHBondContact O-N 3.44Å; E40-T44 PolarHBondContact O-OG1 2.92Å; I41-T44 WeakPolarHBondContact O-CB 3.33Å; I41-T44 PolarHBondContact O-N 3.13Å; I41-T44 VanDerWaalsContact O-N 3.1Å; T44-W46 VanDerWaalsContact C-N 3.33Å; T44-W46 PolarHBondContact O-N 2.81Å; T44-R47 PolarHBondContact O-N 3.16Å; T44-V48 HydrophobicContact CG2-CG2 4.37Å; T44-V48 WeakPolarHBondContact O-CB 3.47Å; T44-V48 VanDerWaalsContact O-CG2 3.27Å; T44-V48 WeakPolarHBondContact O-CG2 3.43Å; T44-V48 PolarHBondContact O-N 2.93Å; T44-I75 HydrophobicContact CG2-CD1 3.76Å; T44-I75 HydrophobicContact CG2-CG1 4.14Å; T44-V110 HydrophobicContact CG2-CG2 3.81Å; T44-L129 HydrophobicContact CG2-CD2 4.36Å
45V98.4Very high97.4Very high0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-55.4-48.2176.5170.90000111I20 L26 I41 R47 V48 R49 F78 T79I20-V45 HydrophobicContact CD1-CG1 4.43Å; I20-V45 HydrophobicContact CG2-CG1 4.38Å; L26-V45 HydrophobicContact CD1-CG2 4.34Å; L26-V45 HydrophobicContact CD2-CG2 4.44Å; I41-V45 HydrophobicContact CG2-CG2 4.34Å; I41-V45 WeakPolarHBondContact O-CG2 3.43Å; I41-V45 PolarHBondContact O-N 3.28Å; V45-R47 PolarHBondContact O-N 2.96Å; V45-V48 PolarHBondContact O-N 2.88Å; V45-R49 WeakPolarHBondContact O-CB 3.49Å; V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 3.34Å; V45-F78 HydrophobicContact CG1-CB 4.14Å; V45-F78 HydrophobicContact CG2-CB 4.23Å; V45-T79 HydrophobicContact CB-CG2 4.47Å; V45-T79 HydrophobicContact CG1-CG2 4.05Å
46W97.8Very high97.6Very high25 Ų2550.5 Ų50.510%0.09522%0.224CC..Hα-helixtrans-60.9-45178.3170.663.4000112.8N14 I16 I20 H42 K43 T44 R49 Q50N14-W46 HydrophobicContact CB-CH2 4.44Å; I16-W46 HydrophobicContact CG1-CD2 4.4Å; I16-W46 HydrophobicContact CG1-CE3 4.1Å; I16-W46 HydrophobicContact CG2-CB 4.09Å; I16-W46 HydrophobicContact CG2-CG 4.42Å; I20-W46 HydrophobicContact CD1-CB 3.71Å; I20-W46 HydrophobicContact CD1-CG 4.32Å; H42-W46 WeakPolarHBondContact O-CB 3.36Å; H42-W46 PolarHBondContact O-N 2.94Å; K43-W46 HydrophobicContact CG-CE3 4.45Å; K43-W46 PolarHBondContact O-N 2.92Å; T44-W46 VanDerWaalsContact C-N 3.33Å; T44-W46 PolarHBondContact O-N 2.81Å; W46-R49 PolarHBondContact O-N 2.84Å; W46-Q50 VanDerWaalsContact O-CB 3.23Å; W46-Q50 WeakPolarHBondContact O-CB 3.44Å; W46-Q50 PolarHBondContact O-N 3.4Å
47R97.4Very high97.7Very high84 Ų8447.8 Ų47.832%0.31721%0.21SC..Hα-helixtrans-68.4-37.6-178.8-68.5-68.4-75.2175.7-15.8112.1K43 T44 V45 A51 F108 L129K43-R47 HydrophobicContact CG-CG 4.18Å; K43-R47 WeakPolarHBondContact O-CB 3.43Å; K43-R47 WeakPolarHBondContact O-CG 3.35Å; K43-R47 PolarHBondContact O-N 3.29Å; T44-R47 PolarHBondContact O-N 3.16Å; V45-R47 PolarHBondContact O-N 2.96Å; R47-A51 WeakPolarHBondContact O-CB 3.21Å; R47-A51 PolarHBondContact O-N 2.65Å; R47-F108 HydrophobicContact CB-CE2 4.26Å; R47-F108 HydrophobicContact CB-CZ 3.78Å; R47-L129 HydrophobicContact CB-CD2 4.33Å; R47-L129 HydrophobicContact CG-CD2 4.38Å
48V98.1Very high97.7Very high2 Ų245.4 Ų45.41%0.01220%0.201CC..Hα-helixtrans-62.9-49.2174.1170.80000110.1T44 V45 A51 K52 A53 V56 T79 A81 F108T44-V48 HydrophobicContact CG2-CG2 4.37Å; T44-V48 WeakPolarHBondContact O-CB 3.47Å; T44-V48 VanDerWaalsContact O-CG2 3.27Å; T44-V48 WeakPolarHBondContact O-CG2 3.43Å; T44-V48 PolarHBondContact O-N 2.93Å; V45-V48 PolarHBondContact O-N 2.88Å; V48-A51 PolarHBondContact O-N 3.08Å; V48-K52 PolarHBondContact O-N 3.09Å; V48-K52 VanDerWaalsContact O-N 3.08Å; V48-A53 HydrophobicContact CG1-CB 4.16Å; V48-A53 PolarHBondContact O-N 3.04Å; V48-V56 HydrophobicContact CG1-CG2 3.84Å; V48-V56 HydrophobicContact CG2-CG2 3.79Å; V48-T79 HydrophobicContact CB-CG2 4.1Å; V48-T79 HydrophobicContact CG1-CG2 3.73Å; V48-A81 HydrophobicContact CG1-CB 3.98Å; V48-F108 HydrophobicContact CG2-CD1 4.08Å; V48-F108 HydrophobicContact CG2-CE1 4.09Å; V48-F108 HydrophobicContact CG2-CG 4.44Å; V48-F108 HydrophobicContact CG2-CZ 4.46Å
49R97Very high97.8Very high105 Ų10541.9 Ų41.940%0.39618%0.182SC..Hα-helixtrans-60.8-47.8175.7-72.3-179.2179.4-172.41.8112.4V45 W46 A51 K52 F78 T79V45-R49 WeakPolarHBondContact O-CB 3.49Å; V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 3.34Å; W46-R49 PolarHBondContact O-N 2.84Å; R49-A51 VanDerWaalsContact C-N 3.26Å; R49-A51 PolarHBondContact O-N 2.86Å; R49-K52 PolarHBondContact O-N 3.37Å; R49-F78 PolarHBondContact NE-O 3.31Å; R49-F78 PolarHBondContact NH2-O 2.84Å; R49-T79 HydrophobicContact CG-CG2 4.19Å
50Q95.9Very high97.8Very high93 Ų9341.7 Ų41.744%0.43518%0.181SC..Hα-helixtrans-60.7-39.1178-175.4-174.140.400111.3W46 K52W46-Q50 VanDerWaalsContact O-CB 3.23Å; W46-Q50 WeakPolarHBondContact O-CB 3.44Å; W46-Q50 PolarHBondContact O-N 3.4Å; Q50-K52 PolarHBondContact O-N 2.99Å
51A95.8Very high97.7Very high17 Ų1740 Ų4014%0.1417%0.174CC..Hα-helixtrans-71.6-16.1177.400000113.4R47 V48 R49 A53 F108 K127R47-A51 WeakPolarHBondContact O-CB 3.21Å; R47-A51 PolarHBondContact O-N 2.65Å; V48-A51 PolarHBondContact O-N 3.08Å; R49-A51 VanDerWaalsContact C-N 3.26Å; R49-A51 PolarHBondContact O-N 2.86Å; A51-A53 HydrophobicContact CB-CB 4.28Å; A51-A53 PolarHBondContact O-N 3.27Å; A51-F108 HydrophobicContact CB-CD2 3.65Å; A51-F108 HydrophobicContact CB-CE2 3.75Å; A51-K127 VanDerWaalsContact CA-NZ 3.32Å; A51-K127 HydrophobicContact CB-CD 3.53Å; A51-K127 PolarHBondContact O-NZ 3.13Å
52K97.3Very high97.4Very high169 Ų16944.3 Ų44.374%0.73519%0.194SC*.THydrogen-bonded Turntrans50.537.1-166.5-57.2-175.9179.8-174.50111.7V48 R49 Q50V48-K52 PolarHBondContact O-N 3.09Å; V48-K52 VanDerWaalsContact O-N 3.08Å; R49-K52 PolarHBondContact O-N 3.37Å; Q50-K52 PolarHBondContact O-N 2.99Å
53A97.9Very high97.2Very high5 Ų545 Ų454%0.04121%0.214CC..  trans-62.3144.7-178.400000110V48 A51 V56 D107 F108V48-A53 HydrophobicContact CG1-CB 4.16Å; V48-A53 PolarHBondContact O-N 3.04Å; A51-A53 HydrophobicContact CB-CB 4.28Å; A51-A53 PolarHBondContact O-N 3.27Å; A53-V56 HydrophobicContact CB-CG2 4.46Å; A53-D107 WeakPolarHBondContact CA-OD2 3.33Å; A53-F108 HydrophobicContact CB-CB 3.58Å; A53-F108 HydrophobicContact CB-CD2 4.14Å; A53-F108 HydrophobicContact CB-CG 4.15Å
54K98.1Very high97.1Very high115 Ų11542.4 Ų42.450%0.520%0.204SC..SBendtrans-106-25.3178.4-63.9-57-179.2-175.70112.6E80 A81 D82 D107K54-E80 IonicContact NZ-OE2 2.91Å; K54-E80 PolarHBondContact NZ-OE2 3.45Å; K54-A81 VanDerWaalsContact O-CA 3.32Å; K54-A81 WeakPolarHBondContact O-CA 3.35Å; K54-D82 PolarHBondContact O-N 3.34Å; K54-D107 PolarHBondContact N-OD1 3.23Å; K54-D107 PolarHBondContact N-OD2 3.17Å
55R98.6Very high97Very high82 Ų8245.2 Ų45.231%0.30922%0.217SC..EExtended strand (participates in β ladder)trans-144.5121.9178.4175166.4-74.2166.38.1111.3D82 I84 L104 A106 D107 F108R55-D82 WeakPolarHBondContact CA-O 3.46Å; R55-D82 VanDerWaalsContact CA-OD1 3.3Å; R55-D82 WeakPolarHBondContact CA-OD1 3.24Å; R55-D82 WeakPolarHBondContact CB-OD1 3.34Å; R55-D82 WeakPolarHBondContact CG-OD1 3.21Å; R55-D82 IonicContact CZ-OD1 3.81Å; R55-D82 IonicContact CZ-OD2 2.75Å; R55-D82 IonicContact NE-OD1 2.66Å; R55-D82 PolarHBondContact NE-OD1 3.33Å; R55-D82 IonicContact NE-OD2 3.79Å; R55-D82 PolarHBondContact NE-OD2 3.48Å; R55-D82 IonicContact NH2-OD1 2.87Å; R55-D82 IonicContact NH2-OD2 3.3Å; R55-D82 PolarHBondContact NH2-OD2 3.28Å; R55-I84 HydrophobicContact CG-CD1 4.12Å; R55-I84 HydrophobicContact CG-CG1 4.22Å; R55-L104 WeakPolarHBondContact CD-O 3.46Å; R55-L104 PolarHBondContact NH1-O 3.21Å; R55-A106 HydrophobicContact CG-CB 3.95Å; R55-A106 WeakPolarHBondContact O-CA 3.35Å; R55-D107 PolarHBondContact N-OD1 3.48Å; R55-D107 PolarHBondContact O-N 2.81Å; R55-D107 VanDerWaalsContact O-N 3.13Å; R55-F108 PolarHBondContact O-N 2.97Å
56V98.7Very high96.9Very high0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-106.9116.2-176.5-176.90000110.5V48 A53 L58 I75 A81 D82 T83 I84 F108 V110V48-V56 HydrophobicContact CG1-CG2 3.84Å; V48-V56 HydrophobicContact CG2-CG2 3.79Å; A53-V56 HydrophobicContact CB-CG2 4.46Å; V56-L58 HydrophobicContact CG1-CD2 3.79Å; V56-I75 HydrophobicContact CB-CG2 4.43Å; V56-I75 HydrophobicContact CG2-CG2 4.16Å; V56-A81 HydrophobicContact CG2-CB 3.76Å; V56-D82 PolarHBondContact N-O 3.02Å; V56-T83 HydrophobicContact CB-CG2 4.31Å; V56-T83 CarbonylContact O-C 3.59Å; V56-T83 VanDerWaalsContact O-CA 3.29Å; V56-T83 WeakPolarHBondContact O-CA 3.48Å; V56-I84 PolarHBondContact O-N 3.34Å; V56-F108 CarbonylContact C-O 3.54Å; V56-F108 WeakPolarHBondContact CA-O 3.4Å; V56-F108 HydrophobicContact CG1-CD1 4.22Å; V56-F108 HydrophobicContact CG2-CB 4.22Å; V56-V110 HydrophobicContact CG1-CG2 3.86Å
57A98.5Very high96.9Very high1 Ų152.8 Ų52.81%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-81.2129.316900000110.6I84 M86 A101 A106 F108 M109 V110A57-I84 CarbonylContact C-O 3.57Å; A57-I84 WeakPolarHBondContact CA-O 3.36Å; A57-M86 HydrophobicContact CB-CG 4.34Å; A57-M86 HydrophobicContact CB-SD 4.14Å; A57-A101 HydrophobicContact CB-CB 3.64Å; A57-A106 HydrophobicContact CB-CB 3.85Å; A57-F108 PolarHBondContact N-O 3.34Å; A57-M109 HydrophobicContact CB-CB 4.29Å; A57-M109 HydrophobicContact CB-CG 4.16Å; A57-M109 CarbonylContact O-C 3.48Å; A57-M109 VanDerWaalsContact O-CA 3.29Å; A57-M109 WeakPolarHBondContact O-CA 3.45Å; A57-V110 PolarHBondContact O-N 2.67Å
58L98.6Very high96.9Very high0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-110.1114.2177.6-56.4179.1000108.9V56 L60 I71 A72 I75 T83 I84 I85 M86 V110 Y112V56-L58 HydrophobicContact CG1-CD2 3.79Å; L58-L60 HydrophobicContact CB-CD1 3.99Å; L58-I71 HydrophobicContact CD1-CG2 4.08Å; L58-I71 HydrophobicContact CD2-CG2 4.46Å; L58-A72 HydrophobicContact CD1-CB 3.87Å; L58-I75 HydrophobicContact CD1-CD1 4.29Å; L58-I75 HydrophobicContact CD2-CD1 3.61Å; L58-T83 HydrophobicContact CD1-CG2 4.47Å; L58-I84 PolarHBondContact N-O 3.49Å; L58-I85 HydrophobicContact CD1-CG1 4.45Å; L58-M86 WeakPolarHBondContact O-CB 3.33Å; L58-M86 WeakPolarHBondContact O-CG 3.4Å; L58-M86 PolarHBondContact O-N 3.4Å; L58-V110 HydrophobicContact CD2-CB 3.97Å; L58-V110 HydrophobicContact CD2-CG2 3.98Å; L58-Y112 HydrophobicContact CD2-CE2 4.32Å
59Q98.2Very high96.9Very high2 Ų252.8 Ų52.81%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-113.1123174.6-172.7179.23800109.7M86 T90 C95 M109 V110 H111 Y112Q59-M86 HydrophobicContact CB-CB 4.14Å; Q59-M86 HydrophobicContact CB-CG 4.09Å; Q59-M86 HydrophobicContact CG-CB 4.3Å; Q59-T90 HydrophobicContact CG-CG2 3.92Å; Q59-T90 VanDerWaalsContact CG-OG1 3.22Å; Q59-T90 WeakPolarHBondContact CG-OG1 3.3Å; Q59-T90 PolarHBondContact NE2-OG1 3.26Å; Q59-C95 PolarHBondContact NE2-O 3.32Å; Q59-C95 PolarHBondContact OE1-O 3.15Å; Q59-M109 HydrophobicContact CB-CE 3.55Å; Q59-M109 HydrophobicContact CG-CE 4.21Å; Q59-V110 PolarHBondContact N-O 3.04Å; Q59-H111 PolarHBondContact OE1-CE1 3.16Å; Q59-H111 VanDerWaalsContact OE1-CE1 3.31Å; Q59-H111 PolarHBondContact OE1-ND1 3.11Å; Q59-Y112 PolarHBondContact O-N 3.26Å
60L97.8Very high97Very high0 Ų049.2 Ų49.20%026%0.26CS..  trans-128.6146.2-178.5-57.590.9000109.3L58 L64 Q65 A68 I71 Y112L58-L60 HydrophobicContact CB-CD1 3.99Å; L60-L64 HydrophobicContact CB-CB 4.19Å; L60-L64 HydrophobicContact CD2-CB 4.05Å; L60-L64 WeakPolarHBondContact CD2-O 3.36Å; L60-Q65 PolarHBondContact O-OE1 3.02Å; L60-A68 HydrophobicContact CD1-CB 3.85Å; L60-A68 HydrophobicContact CD2-CB 4.42Å; L60-I71 HydrophobicContact CD2-CD1 4.16Å; L60-Y112 HydrophobicContact CD1-CD2 4.39Å; L60-Y112 HydrophobicContact CD2-CD2 4.19Å; L60-Y112 HydrophobicContact CD2-CG 4.33Å; L60-Y112 HydrophobicContact CG-CD2 3.83Å; L60-Y112 HydrophobicContact CG-CG 4.2Å
61P95.9Very high97.1Very high17 Ų1744.8 Ų44.811%0.1124%0.239CC..  trans-67.3161.9164.728.6-33.9000110.6G63 L64 Q65 Y112P61-G63 VanDerWaalsContact C-N 3.26Å; P61-G63 PolarHBondContact O-N 2.87Å; P61-G63 VanDerWaalsContact O-N 3.14Å; P61-L64 HydrophobicContact CG-CB 4.23Å; P61-L64 HydrophobicContact CG-CD1 3.88Å; P61-L64 HydrophobicContact CG-CG 4.01Å; P61-L64 PolarHBondContact O-N 2.87Å; P61-Q65 PolarHBondContact O-N 2.98Å; P61-Q65 VanDerWaalsContact O-N 3.12Å; P61-Y112 VanDerWaalsContact CD-O 3.28Å; P61-Y112 WeakPolarHBondContact CD-O 3.43Å
62E92.8Very high97.3Very high98 Ų9844.2 Ų44.246%0.45823%0.234SC..G310 helixtrans-54.8-41.5-172.1-67.364.6-138.400112.1L64 Q65 V89 T90E62-L64 PolarHBondContact O-N 2.85Å; E62-Q65 PolarHBondContact O-N 2.82Å; E62-V89 WeakPolarHBondContact OE1-CA 3.47Å; E62-V89 WeakPolarHBondContact OE1-CG1 3.45Å; E62-T90 PolarHBondContact OE1-N 3.44Å
63G92.7Very high97.3Very high61 Ų6141.3 Ų41.363%0.62923%0.226SC*.G310 helixtrans-66.4-14.6179.200000114.8P61P61-G63 VanDerWaalsContact C-N 3.26Å; P61-G63 PolarHBondContact O-N 2.87Å; P61-G63 VanDerWaalsContact O-N 3.14Å
64L96.4Very high97.3Very high15 Ų1541.4 Ų41.48%0.07923%0.226CC..G310 helixtrans-111.4-8.8177.9-59.9-177.4000113Y37 F39 L60 P61 E62 M66 F67 V133Y37-L64 HydrophobicContact CD1-CD2 4.07Å; Y37-L64 HydrophobicContact CE1-CD2 3.99Å; F39-L64 HydrophobicContact CE1-CD1 4.43Å; F39-L64 HydrophobicContact CE1-CD2 4.29Å; F39-L64 HydrophobicContact CZ-CD2 4.22Å; L60-L64 HydrophobicContact CB-CB 4.19Å; L60-L64 HydrophobicContact CD2-CB 4.05Å; L60-L64 WeakPolarHBondContact CD2-O 3.36Å; P61-L64 HydrophobicContact CG-CB 4.23Å; P61-L64 HydrophobicContact CG-CD1 3.88Å; P61-L64 HydrophobicContact CG-CG 4.01Å; P61-L64 PolarHBondContact O-N 2.87Å; E62-L64 PolarHBondContact O-N 2.85Å; L64-M66 PolarHBondContact O-N 3.13Å; L64-M66 VanDerWaalsContact O-N 3.11Å; L64-F67 HydrophobicContact CB-CD2 4.42Å; L64-F67 HydrophobicContact CD2-CD2 4.19Å; L64-F67 HydrophobicContact CD2-CE2 4.12Å; L64-F67 WeakPolarHBondContact O-CD2 3.18Å; L64-F67 PolarHBondContact O-N 2.95Å; L64-V133 HydrophobicContact CD1-CB 4.29Å; L64-V133 HydrophobicContact CD1-CG1 4.3Å; L64-V133 HydrophobicContact CD1-CG2 3.89Å
65Q95.1Very high97.4Very high59 Ų5936 Ų3628%0.27620%0.203SC..G310 helixtrans-57.7-29.6-177.5-160.1757.700112.6L60 P61 E62 F67 A68 M86L60-Q65 PolarHBondContact O-OE1 3.02Å; P61-Q65 PolarHBondContact O-N 2.98Å; P61-Q65 VanDerWaalsContact O-N 3.12Å; E62-Q65 PolarHBondContact O-N 2.82Å; Q65-F67 PolarHBondContact O-N 3Å; Q65-F67 VanDerWaalsContact O-N 3.1Å; Q65-A68 WeakPolarHBondContact O-CB 3.16Å; Q65-A68 PolarHBondContact O-N 3.08Å; Q65-M86 PolarHBondContact NE2-O 2.82Å
66M96.1Very high97.4Very high151 Ų15136.2 Ų36.274%0.74421%0.207SC*.G310 helixtrans-59.7-19.8175.966.3-168.8-6600114L64L64-M66 PolarHBondContact O-N 3.13Å; L64-M66 VanDerWaalsContact O-N 3.11Å
67F97.8Very high97.4Very high32 Ų3243.6 Ų43.614%0.1424%0.235CC..G310 helixtrans-95.7-5.3176.9-52.6-62.5000113.3L33 P34 F39 L64 Q65 C69 A70 I71L33-F67 HydrophobicContact CD2-CB 3.93Å; L33-F67 HydrophobicContact CD2-CD1 4.03Å; L33-F67 HydrophobicContact CD2-CG 4.25Å; P34-F67 HydrophobicContact CG-CE1 3.84Å; P34-F67 HydrophobicContact CG-CE2 4.24Å; P34-F67 HydrophobicContact CG-CZ 3.61Å; F39-F67 HydrophobicContact CE1-CB 4.47Å; F39-F67 HydrophobicContact CE1-CD2 4.11Å; F39-F67 HydrophobicContact CE2-CD2 4.38Å; F39-F67 HydrophobicContact CZ-CB 4.29Å; F39-F67 AromaticContact CZ-CD2 3.47Å; F39-F67 HydrophobicContact CZ-CD2 3.47Å; F39-F67 VanDerWaalsContact CZ-CD2 3.47Å; F39-F67 AromaticContact CZ-CE2 3.96Å; F39-F67 HydrophobicContact CZ-CE2 3.96Å; F39-F67 AromaticContact CZ-CG 3.9Å; F39-F67 HydrophobicContact CZ-CG 3.9Å; L64-F67 HydrophobicContact CB-CD2 4.42Å; L64-F67 HydrophobicContact CD2-CD2 4.19Å; L64-F67 HydrophobicContact CD2-CE2 4.12Å; L64-F67 WeakPolarHBondContact O-CD2 3.18Å; L64-F67 PolarHBondContact O-N 2.95Å; Q65-F67 PolarHBondContact O-N 3Å; Q65-F67 VanDerWaalsContact O-N 3.1Å; F67-C69 PolarHBondContact O-N 3.3Å; F67-A70 PolarHBondContact O-N 3.29Å; F67-I71 HydrophobicContact CB-CD1 4.02Å; F67-I71 VanDerWaalsContact O-CG1 3.32Å; F67-I71 WeakPolarHBondContact O-CG1 3.32Å; F67-I71 PolarHBondContact O-N 3.01Å
68A98Very high97.3Very high3 Ų344 Ų443%0.02524%0.237CC..Hα-helixtrans-60.2-46.9-169.900000112.8L60 Q65 I71 A72 I85L60-A68 HydrophobicContact CD1-CB 3.85Å; L60-A68 HydrophobicContact CD2-CB 4.42Å; Q65-A68 WeakPolarHBondContact O-CB 3.16Å; Q65-A68 PolarHBondContact O-N 3.08Å; A68-I71 PolarHBondContact O-N 3.44Å; A68-A72 WeakPolarHBondContact O-CB 3.32Å; A68-A72 PolarHBondContact O-N 2.7Å; A68-I85 HydrophobicContact CB-CD1 3.88Å; A68-I85 HydrophobicContact CB-CG1 4.17Å; A68-I85 HydrophobicContact CB-CG2 3.77Å
69C98.3Very high97.3Very high84 Ų8444.9 Ų44.957%0.56824%0.242SC*.Hα-helixtrans-64.7-42.2179.2-59.50000112.2F67 I71 A72 D73F67-C69 PolarHBondContact O-N 3.3Å; C69-I71 VanDerWaalsContact C-N 3.33Å; C69-I71 PolarHBondContact O-N 2.81Å; C69-A72 WeakPolarHBondContact O-CB 3.4Å; C69-A72 PolarHBondContact O-N 2.81Å; C69-D73 VanDerWaalsContact O-CG 3.27Å; C69-D73 PolarHBondContact O-N 2.92Å
70A98.4Very high97.2Very high30 Ų3052.5 Ų52.525%0.24828%0.278CS..Hα-helixtrans-63.4-41.1177.800000111.7V32 L33 F67 I74V32-A70 HydrophobicContact CG2-CB 3.93Å; L33-A70 HydrophobicContact CD2-CB 4.21Å; F67-A70 PolarHBondContact O-N 3.29Å; A70-I74 WeakPolarHBondContact O-CD1 3.19Å; A70-I74 WeakPolarHBondContact O-CG1 3.45Å; A70-I74 PolarHBondContact O-N 2.96Å; A70-I74 VanDerWaalsContact O-N 3.09Å
71I98.7Very high97.2Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-65.7-42176-67.4169.6000110.8L33 F39 I41 L58 L60 F67 A68 C69 I74 I75 Y112L33-I71 HydrophobicContact CD1-CG1 4.15Å; L33-I71 HydrophobicContact CD2-CG1 4.1Å; F39-I71 HydrophobicContact CD1-CD1 3.75Å; F39-I71 HydrophobicContact CE1-CD1 4.06Å; F39-I71 HydrophobicContact CG-CD1 4.35Å; I41-I71 HydrophobicContact CD1-CG1 4.12Å; I41-I71 HydrophobicContact CD1-CG2 4.28Å; L58-I71 HydrophobicContact CD1-CG2 4.08Å; L58-I71 HydrophobicContact CD2-CG2 4.46Å; L60-I71 HydrophobicContact CD2-CD1 4.16Å; F67-I71 HydrophobicContact CB-CD1 4.02Å; F67-I71 VanDerWaalsContact O-CG1 3.32Å; F67-I71 WeakPolarHBondContact O-CG1 3.32Å; F67-I71 PolarHBondContact O-N 3.01Å; A68-I71 PolarHBondContact O-N 3.44Å; C69-I71 VanDerWaalsContact C-N 3.33Å; C69-I71 PolarHBondContact O-N 2.81Å; I71-I74 PolarHBondContact O-N 3.25Å; I71-I75 HydrophobicContact CG2-CD1 3.79Å; I71-I75 HydrophobicContact CG2-CG1 4.5Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 2.78Å; I71-Y112 HydrophobicContact CD1-CE1 4.37Å; I71-Y112 HydrophobicContact CG2-CE2 4.4Å; I71-Y112 WeakPolarHBondContact CG2-OH 3.39Å
72A98.7Very high97.4Very high4 Ų454.8 Ų54.83%0.03329%0.29CS..Hα-helixtrans-57.2-54.1174.700000111.3L58 A68 C69 I74 I75 E76 T83 I85L58-A72 HydrophobicContact CD1-CB 3.87Å; A68-A72 WeakPolarHBondContact O-CB 3.32Å; A68-A72 PolarHBondContact O-N 2.7Å; C69-A72 WeakPolarHBondContact O-CB 3.4Å; C69-A72 PolarHBondContact O-N 2.81Å; A72-I74 VanDerWaalsContact C-N 3.26Å; A72-I74 PolarHBondContact O-N 3.45Å; A72-I75 PolarHBondContact O-N 2.67Å; A72-E76 WeakPolarHBondContact O-CG 3.42Å; A72-E76 PolarHBondContact O-N 3.33Å; A72-T83 HydrophobicContact CB-CG2 4.39Å; A72-T83 VanDerWaalsContact CB-OG1 3.29Å; A72-T83 WeakPolarHBondContact CB-OG1 3.39Å; A72-I85 HydrophobicContact CB-CD1 4.24Å; A72-I85 HydrophobicContact CB-CG1 4.4Å
73D98.6Very high97.6Very high108 Ų10851.3 Ų51.358%0.57828%0.275SS*.Hα-helixtrans-56.2-40.7179-69.4-16.2000111.9C69 R77C69-D73 VanDerWaalsContact O-CG 3.27Å; C69-D73 PolarHBondContact O-N 2.92Å; D73-R77 WeakPolarHBondContact O-CB 3.4Å; D73-R77 PolarHBondContact O-N 3.39Å
74I98.6Very high97.9Very high8 Ų850.4 Ų50.44%0.04126%0.255CS..Hα-helixtrans-64.9-47175.8-67.1164.1000110.7L26 A29 L33 I41 A70 I71 A72 E76 R77 F78L26-I74 HydrophobicContact CD1-CG2 3.66Å; A29-I74 HydrophobicContact CB-CD1 4.49Å; A29-I74 HydrophobicContact CB-CG1 4.03Å; L33-I74 HydrophobicContact CD1-CD1 4.41Å; I41-I74 HydrophobicContact CG2-CG2 3.65Å; A70-I74 WeakPolarHBondContact O-CD1 3.19Å; A70-I74 WeakPolarHBondContact O-CG1 3.45Å; A70-I74 PolarHBondContact O-N 2.96Å; A70-I74 VanDerWaalsContact O-N 3.09Å; I71-I74 PolarHBondContact O-N 3.25Å; A72-I74 VanDerWaalsContact C-N 3.26Å; A72-I74 PolarHBondContact O-N 3.45Å; I74-E76 PolarHBondContact O-N 3.31Å; I74-R77 PolarHBondContact O-N 3.43Å; I74-F78 HydrophobicContact CG2-CD2 3.92Å; I74-F78 HydrophobicContact CG2-CE2 4.44Å; I74-F78 WeakPolarHBondContact O-CB 3.46Å; I74-F78 VanDerWaalsContact O-CD2 3.24Å; I74-F78 WeakPolarHBondContact O-CD2 3.32Å; I74-F78 PolarHBondContact O-N 2.83Å
75I98.6Very high98Very high0 Ų052.5 Ų52.50%027%0.266CS..Hα-helixtrans-63.1-44.5-179.5-69.2167.1000110.6T44 V56 L58 I71 A72 T79 T83T44-I75 HydrophobicContact CG2-CD1 3.76Å; T44-I75 HydrophobicContact CG2-CG1 4.14Å; V56-I75 HydrophobicContact CB-CG2 4.43Å; V56-I75 HydrophobicContact CG2-CG2 4.16Å; L58-I75 HydrophobicContact CD1-CD1 4.29Å; L58-I75 HydrophobicContact CD2-CD1 3.61Å; I71-I75 HydrophobicContact CG2-CD1 3.79Å; I71-I75 HydrophobicContact CG2-CG1 4.5Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 2.78Å; A72-I75 PolarHBondContact O-N 2.67Å; I75-T79 HydrophobicContact CG2-CG2 4.42Å; I75-T79 VanDerWaalsContact O-CB 3.25Å; I75-T79 WeakPolarHBondContact O-CB 3.4Å; I75-T79 VanDerWaalsContact O-CG2 3.3Å; I75-T79 WeakPolarHBondContact O-CG2 3.14Å; I75-T79 PolarHBondContact O-N 2.93Å; I75-T79 PolarHBondContact O-OG1 2.88Å; I75-T83 HydrophobicContact CB-CG2 3.92Å; I75-T83 HydrophobicContact CG2-CG2 3.72Å
76E98.6Very high98Very high87 Ų8750.2 Ų50.241%0.40726%0.255SS..Hα-helixtrans-66.9-39.3179.3-64.9-170.7174.400112.2A72 I74 T79 T83A72-E76 WeakPolarHBondContact O-CG 3.42Å; A72-E76 PolarHBondContact O-N 3.33Å; I74-E76 PolarHBondContact O-N 3.31Å; E76-T79 VanDerWaalsContact O-O 3.12Å; E76-T83 HydrophobicContact CG-CG2 3.63Å; E76-T83 WeakPolarHBondContact OE1-CB 3.4Å; E76-T83 PolarHBondContact OE1-N 3.22Å; E76-T83 PolarHBondContact OE1-OG1 3.18Å
77R98.3Very high97.9Very high155 Ų15546.2 Ų46.259%0.58525%0.253SS*.Hα-helixtrans-67.6-40.3178178.8174173.9179.6-0.8112.8E25 D73 I74E25-R77 IonicContact OE2-CZ 3.29Å; E25-R77 IonicContact OE2-NE 3.9Å; E25-R77 IonicContact OE2-NH2 2.67Å; E25-R77 PolarHBondContact OE2-NH2 2.88Å; D73-R77 WeakPolarHBondContact O-CB 3.4Å; D73-R77 PolarHBondContact O-N 3.39Å; I74-R77 PolarHBondContact O-N 3.43Å
78F98.3Very high97.6Very high11 Ų1149.7 Ų49.75%0.04827%0.274CS..Hα-helixtrans-102.18.5-172.2-65.7-83.8000113.2E25 L26 A29 V45 R49 I74E25-F78 VanDerWaalsContact C-CZ 3.42Å; E25-F78 HydrophobicContact CB-CE1 3.83Å; E25-F78 HydrophobicContact CB-CZ 3.82Å; L26-F78 HydrophobicContact CB-CD1 3.95Å; L26-F78 HydrophobicContact CB-CE1 3.71Å; L26-F78 HydrophobicContact CB-CE2 4.41Å; L26-F78 HydrophobicContact CB-CG 4.42Å; L26-F78 HydrophobicContact CB-CZ 3.98Å; L26-F78 HydrophobicContact CD1-CB 4.44Å; L26-F78 HydrophobicContact CD1-CD1 4.28Å; L26-F78 HydrophobicContact CD1-CD2 3.68Å; L26-F78 HydrophobicContact CD1-CE2 3.95Å; L26-F78 HydrophobicContact CD1-CG 3.87Å; L26-F78 HydrophobicContact CD1-CZ 4.38Å; L26-F78 VanDerWaalsContact N-CZ 3.31Å; A29-F78 HydrophobicContact CB-CE2 3.82Å; A29-F78 HydrophobicContact CB-CZ 4.29Å; V45-F78 HydrophobicContact CG1-CB 4.14Å; V45-F78 HydrophobicContact CG2-CB 4.23Å; R49-F78 PolarHBondContact NE-O 3.31Å; R49-F78 PolarHBondContact NH2-O 2.84Å; I74-F78 HydrophobicContact CG2-CD2 3.92Å; I74-F78 HydrophobicContact CG2-CE2 4.44Å; I74-F78 WeakPolarHBondContact O-CB 3.46Å; I74-F78 VanDerWaalsContact O-CD2 3.24Å; I74-F78 WeakPolarHBondContact O-CD2 3.32Å; I74-F78 PolarHBondContact O-N 2.83Å
79T98Very high97.3Very high18 Ų1851.7 Ų51.711%0.1129%0.285CS..SBendtrans-138.9-178174.379.50000110.9V45 V48 R49 I75 E76 A81V45-T79 HydrophobicContact CB-CG2 4.47Å; V45-T79 HydrophobicContact CG1-CG2 4.05Å; V48-T79 HydrophobicContact CB-CG2 4.1Å; V48-T79 HydrophobicContact CG1-CG2 3.73Å; R49-T79 HydrophobicContact CG-CG2 4.19Å; I75-T79 HydrophobicContact CG2-CG2 4.42Å; I75-T79 VanDerWaalsContact O-CB 3.25Å; I75-T79 WeakPolarHBondContact O-CB 3.4Å; I75-T79 VanDerWaalsContact O-CG2 3.3Å; I75-T79 WeakPolarHBondContact O-CG2 3.14Å; I75-T79 PolarHBondContact O-N 2.93Å; I75-T79 PolarHBondContact O-OG1 2.88Å; E76-T79 VanDerWaalsContact O-O 3.12Å; T79-A81 PolarHBondContact OG1-N 3.14Å
80E96.2Very high97.1Very high161 Ų16147.7 Ų47.775%0.75226%0.258SS*.SBendtrans-97.85.5172.6-63.5-179.3-17600112.5K54K54-E80 IonicContact NZ-OE2 2.91Å; K54-E80 PolarHBondContact NZ-OE2 3.45Å
81A98.3Very high96.8Very high5 Ų552.7 Ų52.74%0.04127%0.272CS..  trans-91.9144.7-175.800000111V48 K54 V56 T79V48-A81 HydrophobicContact CG1-CB 3.98Å; K54-A81 VanDerWaalsContact O-CA 3.32Å; K54-A81 WeakPolarHBondContact O-CA 3.35Å; V56-A81 HydrophobicContact CG2-CB 3.76Å; T79-A81 PolarHBondContact OG1-N 3.14Å
82D98.3Very high96.5Very high61 Ų6153.2 Ų53.233%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-80.5167.1159.370.918.5000110.3K54 R55 V56K54-D82 PolarHBondContact O-N 3.34Å; R55-D82 WeakPolarHBondContact CA-O 3.46Å; R55-D82 VanDerWaalsContact CA-OD1 3.3Å; R55-D82 WeakPolarHBondContact CA-OD1 3.24Å; R55-D82 WeakPolarHBondContact CB-OD1 3.34Å; R55-D82 WeakPolarHBondContact CG-OD1 3.21Å; R55-D82 IonicContact CZ-OD1 3.81Å; R55-D82 IonicContact CZ-OD2 2.75Å; R55-D82 IonicContact NE-OD1 2.66Å; R55-D82 PolarHBondContact NE-OD1 3.33Å; R55-D82 IonicContact NE-OD2 3.79Å; R55-D82 PolarHBondContact NE-OD2 3.48Å; R55-D82 IonicContact NH2-OD1 2.87Å; R55-D82 IonicContact NH2-OD2 3.3Å; R55-D82 PolarHBondContact NH2-OD2 3.28Å; V56-D82 PolarHBondContact N-O 3.02Å
83T98.6Very high96Very high24 Ų2453.2 Ų53.215%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-123.6151.7-18063.80000112.6V56 L58 A72 I75 E76V56-T83 HydrophobicContact CB-CG2 4.31Å; V56-T83 CarbonylContact O-C 3.59Å; V56-T83 VanDerWaalsContact O-CA 3.29Å; V56-T83 WeakPolarHBondContact O-CA 3.48Å; L58-T83 HydrophobicContact CD1-CG2 4.47Å; A72-T83 HydrophobicContact CB-CG2 4.39Å; A72-T83 VanDerWaalsContact CB-OG1 3.29Å; A72-T83 WeakPolarHBondContact CB-OG1 3.39Å; I75-T83 HydrophobicContact CB-CG2 3.92Å; I75-T83 HydrophobicContact CG2-CG2 3.72Å; E76-T83 HydrophobicContact CG-CG2 3.63Å; E76-T83 WeakPolarHBondContact OE1-CB 3.4Å; E76-T83 PolarHBondContact OE1-N 3.22Å; E76-T83 PolarHBondContact OE1-OG1 3.18Å
84I98.1Very high95.7Very high42 Ų4248.9 Ų48.922%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-127.4124.1168.8-61.4-175.6000107.7R55 V56 A57 L58 M86 L104R55-I84 HydrophobicContact CG-CD1 4.12Å; R55-I84 HydrophobicContact CG-CG1 4.22Å; V56-I84 PolarHBondContact O-N 3.34Å; A57-I84 CarbonylContact C-O 3.57Å; A57-I84 WeakPolarHBondContact CA-O 3.36Å; L58-I84 PolarHBondContact N-O 3.49Å; I84-M86 HydrophobicContact CG2-SD 4.48Å; I84-L104 HydrophobicContact CD1-CB 3.78Å; I84-L104 HydrophobicContact CD1-CD1 4.26Å; I84-L104 HydrophobicContact CG2-CD1 4.12Å
85I98.3Very high95.4Very high59 Ų5948.5 Ų48.530%0.30325%0.253SS..EExtended strand (participates in β ladder)trans-86.1120.3171.9-60.9167.9000108.1L58 A68 A72 G87L58-I85 HydrophobicContact CD1-CG1 4.45Å; A68-I85 HydrophobicContact CB-CD1 3.88Å; A68-I85 HydrophobicContact CB-CG1 4.17Å; A68-I85 HydrophobicContact CB-CG2 3.77Å; A72-I85 HydrophobicContact CB-CD1 4.24Å; A72-I85 HydrophobicContact CB-CG1 4.4Å; I85-G87 PolarHBondContact O-N 3.05Å
86M96.3Very high95.2Very high11 Ų1148.5 Ų48.55%0.05425%0.253CS..  trans-74114.9174.2-55.6-63.2-70.200108.2A57 L58 Q59 Q65 I84 D97 T100A57-M86 HydrophobicContact CB-CG 4.34Å; A57-M86 HydrophobicContact CB-SD 4.14Å; L58-M86 WeakPolarHBondContact O-CB 3.33Å; L58-M86 WeakPolarHBondContact O-CG 3.4Å; L58-M86 PolarHBondContact O-N 3.4Å; Q59-M86 HydrophobicContact CB-CB 4.14Å; Q59-M86 HydrophobicContact CB-CG 4.09Å; Q59-M86 HydrophobicContact CG-CB 4.3Å; Q65-M86 PolarHBondContact NE2-O 2.82Å; I84-M86 HydrophobicContact CG2-SD 4.48Å; M86-D97 HydrophobicContact CE-CB 4.15Å; M86-D97 WeakPolarHBondContact CE-OD2 3.09Å; M86-T100 HydrophobicContact CE-CG2 3.8Å
87G93.2Very high95Very high68 Ų6844.9 Ų44.970%0.70124%0.236SC*.  trans-91.2-10.4-174.400000115.1I85I85-G87 PolarHBondContact O-N 3.05Å
88D92.3Very high94.8Very high105 Ų10537.5 Ų37.556%0.56121%0.208SC*.SBendtrans-74.5151.9177.8-76-10.3000111.6T90D88-T90 PolarHBondContact O-OG1 3.33Å
89V91.6Very high94.6Very high45 Ų4542.1 Ų42.127%0.27323%0.229SC..  trans-59.5135-176.5175.20000111.2E62 Y91E62-V89 WeakPolarHBondContact OE1-CA 3.47Å; E62-V89 WeakPolarHBondContact OE1-CG1 3.45Å; V89-Y91 HydrophobicContact CB-CE2 4.28Å; V89-Y91 HydrophobicContact CG1-CD1 3.93Å; V89-Y91 HydrophobicContact CG1-CD2 3.78Å; V89-Y91 HydrophobicContact CG1-CE1 3.55Å; V89-Y91 HydrophobicContact CG1-CE2 3.37Å; V89-Y91 HydrophobicContact CG1-CG 4.04Å
90T93.7Very high94.4Very high0 Ų044 Ų440%024%0.24CC..  trans-125.985.5-178.7-57.60000110.8Q59 E62 D88 G92 C95Q59-T90 HydrophobicContact CG-CG2 3.92Å; Q59-T90 VanDerWaalsContact CG-OG1 3.22Å; Q59-T90 WeakPolarHBondContact CG-OG1 3.3Å; Q59-T90 PolarHBondContact NE2-OG1 3.26Å; E62-T90 PolarHBondContact OE1-N 3.44Å; D88-T90 PolarHBondContact O-OG1 3.33Å; T90-G92 VanDerWaalsContact C-N 3.31Å; T90-G92 PolarHBondContact O-N 2.84Å; T90-C95 HydrophobicContact CG2-CB 4.08Å
91Y91.9Very high94.4Very high135 Ų13536.3 Ų36.353%0.52920%0.204SC..  trans-69.3-19.7-176.3-62.8-73.2000115.6V89 L275 E305V89-Y91 HydrophobicContact CB-CE2 4.28Å; V89-Y91 HydrophobicContact CG1-CD1 3.93Å; V89-Y91 HydrophobicContact CG1-CD2 3.78Å; V89-Y91 HydrophobicContact CG1-CE1 3.55Å; V89-Y91 HydrophobicContact CG1-CE2 3.37Å; V89-Y91 HydrophobicContact CG1-CG 4.04Å; Y91-L275 HydrophobicContact CD2-CD2 3.56Å; Y91-L275 HydrophobicContact CE2-CD2 3.72Å; Y91-E305 PolarHBondContact OH-OE1 2.88Å
92G91.6Very high94.3Very high11 Ų1140 Ų4011%0.11322%0.217CC..SBendtrans177.2179.7-17000000115.5T90 C94 C95 H114T90-G92 VanDerWaalsContact C-N 3.31Å; T90-G92 PolarHBondContact O-N 2.84Å; G92-C94 PolarHBondContact O-N 2.84Å; G92-C95 WeakPolarHBondContact O-CB 3.38Å; G92-C95 PolarHBondContact O-N 3.22Å; G92-H114 WeakPolarHBondContact CA-NE2 3.42Å
93A88.4Confident94.1Very high4 Ų441.2 Ų41.23%0.03324%0.236CC..THydrogen-bonded Turntrans-57.2-20.1177.700000114.5V96 H114 S115 L117A93-V96 WeakPolarHBondContact O-CG2 3.44Å; A93-H114 HydrophobicContact CB-CB 3.78Å; A93-S115 WeakPolarHBondContact CB-O 2.95Å; A93-L117 HydrophobicContact CB-CB 3.45Å; A93-L117 VanDerWaalsContact CB-CB 3.45Å; A93-L117 HydrophobicContact CB-CD2 4Å; A93-L117 HydrophobicContact CB-CG 4.39Å
94C92.4Very high94Very high16 Ų1644 Ų4411%0.10825%0.249CC..THydrogen-bonded Turntrans-82.7-10.2176.555.50000113.6G92 V96 L117 R277 Q278 Y364G92-C94 PolarHBondContact O-N 2.84Å; C94-V96 VanDerWaalsContact C-N 3.35Å; C94-V96 PolarHBondContact O-N 2.71Å; C94-L117 HydrophobicContact CB-CD2 4.19Å; C94-R277 CarbonylContact O-C 3.59Å; C94-R277 VanDerWaalsContact O-C 3.26Å; C94-R277 VanDerWaalsContact O-CA 3.29Å; C94-R277 WeakPolarHBondContact O-CA 3.24Å; C94-R277 WeakPolarHBondContact O-CB 3.47Å; C94-R277 PolarHBondContact O-N 2.84Å; C94-Q278 HydrophobicContact CB-CG 3.99Å; C94-Q278 PolarHBondContact O-N 3.33Å; C94-Y364 HydrophobicContact CB-CE2 3.99Å; C94-Y364 VanDerWaalsContact CB-OH 3.26Å; C94-Y364 WeakPolarHBondContact CB-OH 3.44Å
95C93.2Very high93.9Very high0 Ų044.3 Ų44.30%026%0.263CS..  trans-96.822.9-172.5-55.90000113.1Q59 T90 G92 D97 L275 Q278Q59-C95 PolarHBondContact NE2-O 3.32Å; Q59-C95 PolarHBondContact OE1-O 3.15Å; T90-C95 HydrophobicContact CG2-CB 4.08Å; G92-C95 WeakPolarHBondContact O-CB 3.38Å; G92-C95 PolarHBondContact O-N 3.22Å; C95-D97 PolarHBondContact O-N 3.33Å; C95-L275 HydrophobicContact CB-CG 4.36Å; C95-Q278 PolarHBondContact SG-NE2 2.93Å
96V94.5Very high93.9Very high0 Ų041.7 Ų41.70%025%0.251CS..  trans-62.5111-179.6178.80000109.7A93 C94 D98 M109 I118 M128 Y130 G276A93-V96 WeakPolarHBondContact O-CG2 3.44Å; C94-V96 VanDerWaalsContact C-N 3.35Å; C94-V96 PolarHBondContact O-N 2.71Å; V96-D98 HydrophobicContact CG1-CB 4.4Å; V96-D98 PolarHBondContact O-N 3.32Å; V96-M109 HydrophobicContact CG1-CE 4.38Å; V96-I118 HydrophobicContact CG2-CB 4.41Å; V96-I118 HydrophobicContact CG2-CG1 4.21Å; V96-M128 HydrophobicContact CG1-CE 3.37Å; V96-M128 HydrophobicContact CG1-SD 4.36Å; V96-Y130 HydrophobicContact CG2-CE1 3.91Å; V96-Y130 WeakPolarHBondContact CG2-OH 3.49Å; V96-G276 WeakPolarHBondContact O-CA 3.49Å
97D94.2Very high93.9Very high11 Ų1143.9 Ų43.96%0.05926%0.263CS..  trans-96.661.7-175.9-1699.1000112.8M86 C95 F99 T100 A101M86-D97 HydrophobicContact CE-CB 4.15Å; M86-D97 WeakPolarHBondContact CE-OD2 3.09Å; C95-D97 PolarHBondContact O-N 3.33Å; D97-F99 PolarHBondContact O-N 2.85Å; D97-T100 VanDerWaalsContact CG-CB 3.46Å; D97-T100 VanDerWaalsContact CG-OG1 3.22Å; D97-T100 WeakPolarHBondContact OD1-CB 3.37Å; D97-T100 PolarHBondContact OD1-N 3.22Å; D97-T100 PolarHBondContact OD1-OG1 3.04Å; D97-T100 WeakPolarHBondContact OD2-CB 3.3Å; D97-T100 PolarHBondContact OD2-OG1 2.86Å; D97-A101 WeakPolarHBondContact O-CB 3.18Å; D97-A101 PolarHBondContact O-N 2.91Å
98D94Very high94.2Very high0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-73.7-15.4177.571.9-76.8000113V96 R102 M109 T123 I126 M128 R277V96-D98 HydrophobicContact CG1-CB 4.4Å; V96-D98 PolarHBondContact O-N 3.32Å; D98-R102 WeakPolarHBondContact O-CB 3.29Å; D98-R102 VanDerWaalsContact O-CG 3.28Å; D98-R102 WeakPolarHBondContact O-CG 3.07Å; D98-R102 PolarHBondContact O-N 2.84Å; D98-R102 PolarHBondContact O-NE 3.31Å; D98-R102 IonicContact OD2-CZ 2.66Å; D98-R102 IonicContact OD2-NE 2.93Å; D98-R102 IonicContact OD2-NH2 3.71Å; D98-R102 PolarHBondContact OD2-NH2 3.06Å; D98-M109 HydrophobicContact CB-SD 4.41Å; D98-T123 HydrophobicContact CB-CG2 3.96Å; D98-I126 HydrophobicContact CB-CG2 3.91Å; D98-M128 HydrophobicContact CB-CE 4.19Å; D98-R277 IonicContact OD1-CZ 3.5Å; D98-R277 VanDerWaalsContact OD1-CZ 3.27Å; D98-R277 IonicContact OD1-NE 3.54Å; D98-R277 PolarHBondContact OD1-NE 2.95Å; D98-R277 IonicContact OD1-NH2 2.7Å; D98-R277 PolarHBondContact OD1-NH2 3.06Å; D98-R277 IonicContact OD2-CZ 2.8Å; D98-R277 IonicContact OD2-NH2 3.95Å; D98-R277 PolarHBondContact OD2-NH2 2.86Å
99F93Very high94.4Very high109 Ų10935.9 Ų35.948%0.47820%0.203SC..Hα-helixtrans-72.9-53.6176.2-65.8-69000111D97 R102 A103D97-F99 PolarHBondContact O-N 2.85Å; F99-R102 PolarHBondContact O-N 3.37Å; F99-A103 PolarHBondContact O-N 3.42Å
100T94.6Very high94.7Very high57 Ų5733.7 Ų33.735%0.3519%0.19SC..Hα-helixtrans-65.7-41.2179.2-54.60000111.2M86 D97 R102 A103 L104M86-T100 HydrophobicContact CE-CG2 3.8Å; D97-T100 VanDerWaalsContact CG-CB 3.46Å; D97-T100 VanDerWaalsContact CG-OG1 3.22Å; D97-T100 WeakPolarHBondContact OD1-CB 3.37Å; D97-T100 PolarHBondContact OD1-N 3.22Å; D97-T100 PolarHBondContact OD1-OG1 3.04Å; D97-T100 WeakPolarHBondContact OD2-CB 3.3Å; D97-T100 PolarHBondContact OD2-OG1 2.86Å; T100-R102 VanDerWaalsContact C-N 3.32Å; T100-R102 PolarHBondContact O-N 3.11Å; T100-A103 WeakPolarHBondContact O-CB 3.26Å; T100-A103 PolarHBondContact O-N 3.08Å; T100-A103 VanDerWaalsContact O-N 3.12Å; T100-L104 HydrophobicContact CG2-CD1 4.18Å; T100-L104 WeakPolarHBondContact O-CG 3.35Å; T100-L104 PolarHBondContact O-N 2.84Å
101A96.1Very high94.9Very high0 Ų033.7 Ų33.70%019%0.19CC..Hα-helixtrans-54.6-47.3176.100000111.8A57 D97 L104 G105 A106 M109 I126A57-A101 HydrophobicContact CB-CB 3.64Å; D97-A101 WeakPolarHBondContact O-CB 3.18Å; D97-A101 PolarHBondContact O-N 2.91Å; A101-L104 PolarHBondContact O-N 3.24Å; A101-G105 PolarHBondContact O-N 3.08Å; A101-A106 HydrophobicContact CB-CB 4.24Å; A101-A106 WeakPolarHBondContact O-CB 3.5Å; A101-A106 PolarHBondContact O-N 3.28Å; A101-M109 HydrophobicContact CB-SD 4.04Å; A101-I126 HydrophobicContact CB-CD1 3.65Å
102R95.2Very high95.2Very high81 Ų8127.3 Ų27.331%0.30617%0.165SC..Hα-helixtrans-65.7-40.4176.2-76.8-178.5-63.5161.12.7112.9D98 F99 T100 L104 G105 A124 I126D98-R102 WeakPolarHBondContact O-CB 3.29Å; D98-R102 VanDerWaalsContact O-CG 3.28Å; D98-R102 WeakPolarHBondContact O-CG 3.07Å; D98-R102 PolarHBondContact O-N 2.84Å; D98-R102 PolarHBondContact O-NE 3.31Å; D98-R102 IonicContact OD2-CZ 2.66Å; D98-R102 IonicContact OD2-NE 2.93Å; D98-R102 IonicContact OD2-NH2 3.71Å; D98-R102 PolarHBondContact OD2-NH2 3.06Å; F99-R102 PolarHBondContact O-N 3.37Å; T100-R102 VanDerWaalsContact C-N 3.32Å; T100-R102 PolarHBondContact O-N 3.11Å; R102-L104 PolarHBondContact O-N 3.37Å; R102-G105 WeakPolarHBondContact O-CA 3.47Å; R102-G105 PolarHBondContact O-N 2.97Å; R102-A124 WeakPolarHBondContact CD-O 3.4Å; R102-A124 PolarHBondContact NH1-O 3.1Å; R102-I126 HydrophobicContact CG-CB 3.68Å; R102-I126 HydrophobicContact CG-CD1 4.21Å; R102-I126 HydrophobicContact CG-CG1 4.49Å; R102-I126 HydrophobicContact CG-CG2 3.88Å
103A95.3Very high95.4Very high88 Ų8826.8 Ų26.873%0.72716%0.16SC*.Hα-helixtrans-60.8-29.7177.700000112.2F99 T100 G105F99-A103 PolarHBondContact O-N 3.42Å; T100-A103 WeakPolarHBondContact O-CB 3.26Å; T100-A103 PolarHBondContact O-N 3.08Å; T100-A103 VanDerWaalsContact O-N 3.12Å; A103-G105 VanDerWaalsContact C-N 3.28Å
104L95.8Very high95.7Very high81 Ų8127.7 Ų27.742%0.42416%0.164SC..THydrogen-bonded Turntrans-85.65.5173.9-64.1174.5000114R55 I84 T100 A101 R102R55-L104 WeakPolarHBondContact CD-O 3.46Å; R55-L104 PolarHBondContact NH1-O 3.21Å; I84-L104 HydrophobicContact CD1-CB 3.78Å; I84-L104 HydrophobicContact CD1-CD1 4.26Å; I84-L104 HydrophobicContact CG2-CD1 4.12Å; T100-L104 HydrophobicContact CG2-CD1 4.18Å; T100-L104 WeakPolarHBondContact O-CG 3.35Å; T100-L104 PolarHBondContact O-N 2.84Å; A101-L104 PolarHBondContact O-N 3.24Å; R102-L104 PolarHBondContact O-N 3.37Å
105G96.4Very high95.6Very high49 Ų4927.3 Ų27.351%0.50516%0.161SC..THydrogen-bonded Turntrans78.615.4178.100000114.5A101 R102 A103A101-G105 PolarHBondContact O-N 3.08Å; R102-G105 WeakPolarHBondContact O-CA 3.47Å; R102-G105 PolarHBondContact O-N 2.97Å; A103-G105 VanDerWaalsContact C-N 3.28Å
106A97.8Very high95.4Very high5 Ų530.2 Ų30.24%0.04118%0.181CC..  trans-68.9131.9171.900000110.7R55 A57 A101 I126R55-A106 HydrophobicContact CG-CB 3.95Å; R55-A106 WeakPolarHBondContact O-CA 3.35Å; A57-A106 HydrophobicContact CB-CB 3.85Å; A101-A106 HydrophobicContact CB-CB 4.24Å; A101-A106 WeakPolarHBondContact O-CB 3.5Å; A101-A106 PolarHBondContact O-N 3.28Å; A106-I126 HydrophobicContact CB-CD1 4.05Å; A106-I126 WeakPolarHBondContact O-CD1 3.44Å
107D97.1Very high95.1Very high57 Ų5731 Ų3131%0.30519%0.185SC..SBendtrans-105.7-5.1175.963-14.5000112.4A53 K54 R55 K127A53-D107 WeakPolarHBondContact CA-OD2 3.33Å; K54-D107 PolarHBondContact N-OD1 3.23Å; K54-D107 PolarHBondContact N-OD2 3.17Å; R55-D107 PolarHBondContact N-OD1 3.48Å; R55-D107 PolarHBondContact O-N 2.81Å; R55-D107 VanDerWaalsContact O-N 3.13Å; D107-K127 PolarHBondContact O-N 3.34Å
108F98.1Very high94.9Very high4 Ų431.3 Ų31.32%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-140.3143.8173.2-157.7-79.2000110.8R47 V48 A51 A53 R55 V56 A57 V110 K127 L129R47-F108 HydrophobicContact CB-CE2 4.26Å; R47-F108 HydrophobicContact CB-CZ 3.78Å; V48-F108 HydrophobicContact CG2-CD1 4.08Å; V48-F108 HydrophobicContact CG2-CE1 4.09Å; V48-F108 HydrophobicContact CG2-CG 4.44Å; V48-F108 HydrophobicContact CG2-CZ 4.46Å; A51-F108 HydrophobicContact CB-CD2 3.65Å; A51-F108 HydrophobicContact CB-CE2 3.75Å; A53-F108 HydrophobicContact CB-CB 3.58Å; A53-F108 HydrophobicContact CB-CD2 4.14Å; A53-F108 HydrophobicContact CB-CG 4.15Å; R55-F108 PolarHBondContact O-N 2.97Å; V56-F108 CarbonylContact C-O 3.54Å; V56-F108 WeakPolarHBondContact CA-O 3.4Å; V56-F108 HydrophobicContact CG1-CD1 4.22Å; V56-F108 HydrophobicContact CG2-CB 4.22Å; A57-F108 PolarHBondContact N-O 3.34Å; F108-V110 HydrophobicContact CD1-CG2 4.14Å; F108-V110 HydrophobicContact CE1-CG2 3.94Å; F108-K127 CarbonylContact C-O 3.52Å; F108-K127 WeakPolarHBondContact CA-O 3.26Å; F108-K127 HydrophobicContact CD2-CB 3.59Å; F108-K127 HydrophobicContact CD2-CD 4.16Å; F108-K127 HydrophobicContact CE2-CB 3.92Å; F108-K127 HydrophobicContact CE2-CD 4.45Å; F108-K127 HydrophobicContact CG-CB 4.29Å; F108-L129 HydrophobicContact CE1-CB 3.7Å; F108-L129 HydrophobicContact CE1-CD2 4.4Å; F108-L129 HydrophobicContact CZ-CB 3.86Å; F108-L129 HydrophobicContact CZ-CD2 4.5Å
109M97.6Very high94.4Very high0 Ų035 Ų350%021%0.21CC..EExtended strand (participates in β ladder)trans-132.9136.1176.2-177.8170.6177.500110.5A57 Q59 V96 D98 A101 I126 K127 M128 L129A57-M109 HydrophobicContact CB-CB 4.29Å; A57-M109 HydrophobicContact CB-CG 4.16Å; A57-M109 CarbonylContact O-C 3.48Å; A57-M109 VanDerWaalsContact O-CA 3.29Å; A57-M109 WeakPolarHBondContact O-CA 3.45Å; Q59-M109 HydrophobicContact CB-CE 3.55Å; Q59-M109 HydrophobicContact CG-CE 4.21Å; V96-M109 HydrophobicContact CG1-CE 4.38Å; D98-M109 HydrophobicContact CB-SD 4.41Å; A101-M109 HydrophobicContact CB-SD 4.04Å; M109-I126 HydrophobicContact CB-CD1 3.75Å; M109-I126 HydrophobicContact CB-CG1 4.22Å; M109-K127 PolarHBondContact N-O 2.83Å; M109-M128 HydrophobicContact CB-CE 3.88Å; M109-M128 HydrophobicContact CB-SD 3.79Å; M109-M128 HydrophobicContact CE-CE 4.34Å; M109-M128 HydrophobicContact CG-CE 3.81Å; M109-M128 HydrophobicContact CG-SD 3.68Å; M109-M128 CarbonylContact O-C 3.52Å; M109-M128 WeakPolarHBondContact O-CA 3.15Å; M109-M128 HydrophobicContact SD-CE 3.39Å; M109-M128 WeakPolarHBondContact SD-CE 3.31Å; M109-M128 HydrophobicContact SD-SD 4.03Å; M109-L129 PolarHBondContact O-N 2.71Å
110V98.1Very high93.9Very high0 Ų033.5 Ų33.50%021%0.206CC..EExtended strand (participates in β ladder)trans-111.7117.2170.4-164.50000108.3T44 V56 A57 L58 Q59 F108 Y112 L129 V131T44-V110 HydrophobicContact CG2-CG2 3.81Å; V56-V110 HydrophobicContact CG1-CG2 3.86Å; A57-V110 PolarHBondContact O-N 2.67Å; L58-V110 HydrophobicContact CD2-CB 3.97Å; L58-V110 HydrophobicContact CD2-CG2 3.98Å; Q59-V110 PolarHBondContact N-O 3.04Å; F108-V110 HydrophobicContact CD1-CG2 4.14Å; F108-V110 HydrophobicContact CE1-CG2 3.94Å; V110-Y112 HydrophobicContact CB-CD2 4.34Å; V110-Y112 HydrophobicContact CB-CE2 3.7Å; V110-Y112 HydrophobicContact CG1-CD2 3.88Å; V110-Y112 HydrophobicContact CG1-CE1 4.21Å; V110-Y112 HydrophobicContact CG1-CE2 3.26Å; V110-Y112 VanDerWaalsContact CG1-CZ 3.45Å; V110-L129 CarbonylContact C-O 3.55Å; V110-L129 VanDerWaalsContact CA-O 3.31Å; V110-L129 WeakPolarHBondContact CA-O 3.37Å; V110-L129 HydrophobicContact CG1-CB 4.48Å; V110-L129 HydrophobicContact CG1-CD2 4.33Å; V110-L129 HydrophobicContact CG1-CG 4.39Å; V110-V131 HydrophobicContact CG1-CG2 3.79Å
111H97.6Very high93.2Very high0 Ų038.3 Ų38.30%023%0.23CC..EExtended strand (participates in β ladder)trans-105.4115.5176.9-174.588000109.4Q59 H114 M128 L129 Y130 V131Q59-H111 PolarHBondContact OE1-CE1 3.16Å; Q59-H111 VanDerWaalsContact OE1-CE1 3.31Å; Q59-H111 PolarHBondContact OE1-ND1 3.11Å; H111-H114 AromaticContact CD2-ND1 3.97Å; H111-H114 AromaticContact CE1-ND1 3.77Å; H111-H114 AromaticContact NE2-CG 3.67Å; H111-H114 AromaticContact NE2-ND1 3.02Å; H111-H114 PolarHBondContact NE2-ND1 3.34Å; H111-M128 HydrophobicContact CB-SD 4.06Å; H111-L129 PolarHBondContact N-O 3.07Å; H111-Y130 HydrophobicContact CB-CD1 4.03Å; H111-Y130 HydrophobicContact CB-CE1 4.17Å; H111-Y130 AromaticContact CD2-CD1 3.71Å; H111-Y130 AromaticContact CD2-CE1 3.73Å; H111-Y130 WeakPolarHBondContact O-CA 3.44Å; H111-V131 PolarHBondContact O-N 3.45Å
112Y97.9Very high92.4Very high0 Ų041 Ų410%025%0.249CC..EExtended strand (participates in β ladder)trans-96.4151.8-175-72.5-90.1000112.8F39 L58 Q59 L60 P61 I71 V110 H114 V131 V133F39-Y112 HydrophobicContact CB-CE1 4.29Å; F39-Y112 AromaticContact CD1-CD1 3.93Å; F39-Y112 HydrophobicContact CD1-CD1 3.93Å; F39-Y112 AromaticContact CD1-CE1 3.93Å; F39-Y112 HydrophobicContact CD1-CE1 3.93Å; L58-Y112 HydrophobicContact CD2-CE2 4.32Å; Q59-Y112 PolarHBondContact O-N 3.26Å; L60-Y112 HydrophobicContact CD1-CD2 4.39Å; L60-Y112 HydrophobicContact CD2-CD2 4.19Å; L60-Y112 HydrophobicContact CD2-CG 4.33Å; L60-Y112 HydrophobicContact CG-CD2 3.83Å; L60-Y112 HydrophobicContact CG-CG 4.2Å; P61-Y112 VanDerWaalsContact CD-O 3.28Å; P61-Y112 WeakPolarHBondContact CD-O 3.43Å; I71-Y112 HydrophobicContact CD1-CE1 4.37Å; I71-Y112 HydrophobicContact CG2-CE2 4.4Å; I71-Y112 WeakPolarHBondContact CG2-OH 3.39Å; V110-Y112 HydrophobicContact CB-CD2 4.34Å; V110-Y112 HydrophobicContact CB-CE2 3.7Å; V110-Y112 HydrophobicContact CG1-CD2 3.88Å; V110-Y112 HydrophobicContact CG1-CE1 4.21Å; V110-Y112 HydrophobicContact CG1-CE2 3.26Å; V110-Y112 VanDerWaalsContact CG1-CZ 3.45Å; Y112-H114 VanDerWaalsContact C-N 3.33Å; Y112-H114 PolarHBondContact O-N 2.95Å; Y112-H114 PolarHBondContact O-ND1 3.38Å; Y112-V131 CarbonylContact C-O 3.58Å; Y112-V131 VanDerWaalsContact CA-O 3.31Å; Y112-V131 WeakPolarHBondContact CA-O 3.43Å; Y112-V131 HydrophobicContact CD1-CB 3.62Å; Y112-V131 HydrophobicContact CD1-CG1 3.7Å; Y112-V131 HydrophobicContact CD1-CG2 4.28Å; Y112-V131 HydrophobicContact CE1-CB 3.76Å; Y112-V131 HydrophobicContact CE1-CG1 3.76Å; Y112-V131 HydrophobicContact CE1-CG2 3.94Å; Y112-V131 HydrophobicContact CG-CB 4.38Å; Y112-V133 HydrophobicContact CD1-CG2 3.86Å
113G95.3Very high91.7Very high1 Ų137.4 Ų37.41%0.0124%0.236CC..SBendtrans82.8-3.5164.400000115.9V131 F132 Q163G113-V131 PolarHBondContact N-O 3.19Å; G113-F132 CarbonylContact C-O 3.53Å; G113-F132 WeakPolarHBondContact CA-O 3.27Å; G113-Q163 PolarHBondContact O-NE2 3.33Å
114H94.6Very high91Very high23 Ų2336.5 Ų36.511%0.10623%0.228CC..SBendtrans-134.6151.8-174-55.6119.8000113.1G92 A93 H111 Y112 F132G92-H114 WeakPolarHBondContact CA-NE2 3.42Å; A93-H114 HydrophobicContact CB-CB 3.78Å; H111-H114 AromaticContact CD2-ND1 3.97Å; H111-H114 AromaticContact CE1-ND1 3.77Å; H111-H114 AromaticContact NE2-CG 3.67Å; H111-H114 AromaticContact NE2-ND1 3.02Å; H111-H114 PolarHBondContact NE2-ND1 3.34Å; Y112-H114 VanDerWaalsContact C-N 3.33Å; Y112-H114 PolarHBondContact O-N 2.95Å; Y112-H114 PolarHBondContact O-ND1 3.38Å; H114-F132 WeakPolarHBondContact O-CD1 3.44Å
115S90.8Very high90.5Very high8 Ų836 Ų366%0.05624%0.243CC..  trans-67160.7174.453.70000112.5A93 L117 E193A93-S115 WeakPolarHBondContact CB-O 2.95Å; S115-L117 PolarHBondContact O-N 2.93Å; S115-E193 WeakPolarHBondContact CB-OE1 3.48Å; S115-E193 PolarHBondContact OG-OE1 3.3Å
116C89.8Confident90.4Very high61 Ų6134.3 Ų34.341%0.41222%0.222SC..  trans-73.357.1179.3-55.70000112.6I118 Y130 F132C116-I118 VanDerWaalsContact C-N 3.33Å; C116-I118 PolarHBondContact O-N 2.92Å; C116-Y130 HydrophobicContact CB-CD2 4Å; C116-Y130 HydrophobicContact CB-CE2 4.12Å; C116-Y130 HydrophobicContact CB-CG 4.27Å; C116-Y130 WeakPolarHBondContact SG-CB 3.48Å; C116-Y130 WeakPolarHBondContact SG-CD2 3.39Å; C116-F132 VanDerWaalsContact SG-CE1 3.53Å
117L88Confident90.2Very high15 Ų1539.2 Ų39.28%0.07924%0.243CC..  trans-63-41.9-179.7-176.664.6000111.6A93 C94 S115 P188 L189 L195 Y364A93-L117 HydrophobicContact CB-CB 3.45Å; A93-L117 VanDerWaalsContact CB-CB 3.45Å; A93-L117 HydrophobicContact CB-CD2 4Å; A93-L117 HydrophobicContact CB-CG 4.39Å; C94-L117 HydrophobicContact CB-CD2 4.19Å; S115-L117 PolarHBondContact O-N 2.93Å; L117-P188 HydrophobicContact CD1-CG 3.96Å; L117-L189 HydrophobicContact CD1-CD2 4.31Å; L117-L195 HydrophobicContact CD1-CD1 4.49Å; L117-L195 HydrophobicContact CD2-CD1 4.03Å; L117-Y364 HydrophobicContact CD1-CG 4.18Å; L117-Y364 HydrophobicContact CD2-CD1 4.26Å; L117-Y364 HydrophobicContact CD2-CD2 3.68Å; L117-Y364 HydrophobicContact CD2-CE1 4.4Å; L117-Y364 HydrophobicContact CD2-CE2 3.81Å; L117-Y364 HydrophobicContact CD2-CG 3.91Å; L117-Y364 HydrophobicContact CG-CG 4.45Å
118I89.3Confident90.1Very high18 Ų1837 Ų379%0.09223%0.231CC..SBendtrans-87.8119.9175.2-52.8-55.9000108.9V96 C116 I120 Y130 R277V96-I118 HydrophobicContact CG2-CB 4.41Å; V96-I118 HydrophobicContact CG2-CG1 4.21Å; C116-I118 VanDerWaalsContact C-N 3.33Å; C116-I118 PolarHBondContact O-N 2.92Å; I118-I120 PolarHBondContact O-N 3.43Å; I118-Y130 PolarHBondContact O-OH 3.1Å; I118-R277 HydrophobicContact CD1-CB 3.58Å; I118-R277 HydrophobicContact CD1-CG 4.27Å; I118-R277 HydrophobicContact CG1-CB 3.79Å; I118-R277 HydrophobicContact CG1-CG 4.04Å; I118-R277 HydrophobicContact CG2-CG 4.06Å
119P84.9Confident90Very high77 Ų7737.3 Ų37.350%0.523%0.233SC..  trans-59.6132.8179.3-22.432.6000111.6D121 S122P119-D121 PolarHBondContact O-N 3.2Å; P119-S122 WeakPolarHBondContact O-CA 3.48Å; P119-S122 WeakPolarHBondContact O-CB 3.35Å; P119-S122 PolarHBondContact O-N 3.16Å; P119-S122 PolarHBondContact O-OG 2.95Å
120I82.3Confident89.9Confident78 Ų7837.8 Ų37.840%0.423%0.234SC..G310 helixtrans-57.7-34.1179.6-62.4168000111.4I118 S122 T123 M128 Y130I118-I120 PolarHBondContact O-N 3.43Å; I120-S122 PolarHBondContact O-N 3.17Å; I120-T123 PolarHBondContact O-N 2.87Å; I120-T123 PolarHBondContact O-OG1 3.04Å; I120-M128 HydrophobicContact CG1-CB 4.22Å; I120-M128 HydrophobicContact CG1-CG 4.44Å; I120-M128 HydrophobicContact CG2-CB 3.97Å; I120-Y130 HydrophobicContact CD1-CD2 4.23Å; I120-Y130 HydrophobicContact CD1-CE2 4.43Å; I120-Y130 HydrophobicContact CG1-CD2 4.07Å; I120-Y130 HydrophobicContact CG1-CE2 3.78Å
121D79.1Confident89.9Confident158 Ų15837.8 Ų37.885%0.84523%0.234SC*.G310 helixtrans-65.8-12.5177.5-61.1-26.8000113.2P119P119-D121 PolarHBondContact O-N 3.2Å
122S79.8Confident89.7Confident58 Ų5841.1 Ų41.141%0.40625%0.249SC..G310 helixtrans-86.5-9.5175.2-53.90000113.4P119 I120 A124 R277P119-S122 WeakPolarHBondContact O-CA 3.48Å; P119-S122 WeakPolarHBondContact O-CB 3.35Å; P119-S122 PolarHBondContact O-N 3.16Å; P119-S122 PolarHBondContact O-OG 2.95Å; I120-S122 PolarHBondContact O-N 3.17Å; S122-A124 VanDerWaalsContact C-N 3.34Å; S122-A124 PolarHBondContact O-N 3.21Å; S122-R277 PolarHBondContact O-NH1 3.25Å; S122-R277 PolarHBondContact O-NH2 3.38Å
123T80.9Confident89.7Confident4 Ų441.1 Ų41.13%0.02525%0.249CC..SBendtrans-96.257.9178.265.90000110.6D98 I120 G125 I126 M128D98-T123 HydrophobicContact CB-CG2 3.96Å; I120-T123 PolarHBondContact O-N 2.87Å; I120-T123 PolarHBondContact O-OG1 3.04Å; T123-G125 PolarHBondContact O-N 3.32Å; T123-I126 PolarHBondContact O-N 2.83Å; T123-I126 PolarHBondContact OG1-O 3.18Å; T123-M128 HydrophobicContact CG2-CE 4.07Å
124A79.9Confident89.7Confident69 Ų6943.4 Ų43.457%0.5726%0.261SS*.THydrogen-bonded Turntrans-56130-176.500000111.7R102 S122R102-A124 WeakPolarHBondContact CD-O 3.4Å; R102-A124 PolarHBondContact NH1-O 3.1Å; S122-A124 VanDerWaalsContact C-N 3.34Å; S122-A124 PolarHBondContact O-N 3.21Å
125G85.9Confident89.8Confident72 Ų7242.8 Ų42.874%0.74226%0.259SS*.THydrogen-bonded Turntrans882.3177.300000115.7T123T123-G125 PolarHBondContact O-N 3.32Å
126I93.4Very high90.1Very high12 Ų1248.7 Ų48.76%0.06229%0.285CS..SBendtrans-142.6137169.7-170.8167.2000110.5D98 A101 R102 A106 M109 T123D98-I126 HydrophobicContact CB-CG2 3.91Å; A101-I126 HydrophobicContact CB-CD1 3.65Å; R102-I126 HydrophobicContact CG-CB 3.68Å; R102-I126 HydrophobicContact CG-CD1 4.21Å; R102-I126 HydrophobicContact CG-CG1 4.49Å; R102-I126 HydrophobicContact CG-CG2 3.88Å; A106-I126 HydrophobicContact CB-CD1 4.05Å; A106-I126 WeakPolarHBondContact O-CD1 3.44Å; M109-I126 HydrophobicContact CB-CD1 3.75Å; M109-I126 HydrophobicContact CB-CG1 4.22Å; T123-I126 PolarHBondContact O-N 2.83Å; T123-I126 PolarHBondContact OG1-O 3.18Å
127K94.8Very high90.4Very high109 Ų10947.5 Ų47.547%0.47427%0.274SS..EExtended strand (participates in β ladder)trans-79.1132.4174.7-70.2173.3-176.1171.60109.3A51 D107 F108 M109A51-K127 VanDerWaalsContact CA-NZ 3.32Å; A51-K127 HydrophobicContact CB-CD 3.53Å; A51-K127 PolarHBondContact O-NZ 3.13Å; D107-K127 PolarHBondContact O-N 3.34Å; F108-K127 CarbonylContact C-O 3.52Å; F108-K127 WeakPolarHBondContact CA-O 3.26Å; F108-K127 HydrophobicContact CD2-CB 3.59Å; F108-K127 HydrophobicContact CD2-CD 4.16Å; F108-K127 HydrophobicContact CE2-CB 3.92Å; F108-K127 HydrophobicContact CE2-CD 4.45Å; F108-K127 HydrophobicContact CG-CB 4.29Å; M109-K127 PolarHBondContact N-O 2.83Å
128M94.1Very high90.9Very high10 Ų1049.9 Ų49.95%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-111.2136.3-179.7-173.26666.400111.4V96 D98 M109 H111 I120 T123 Y130V96-M128 HydrophobicContact CG1-CE 3.37Å; V96-M128 HydrophobicContact CG1-SD 4.36Å; D98-M128 HydrophobicContact CB-CE 4.19Å; M109-M128 HydrophobicContact CB-CE 3.88Å; M109-M128 HydrophobicContact CB-SD 3.79Å; M109-M128 HydrophobicContact CE-CE 4.34Å; M109-M128 HydrophobicContact CG-CE 3.81Å; M109-M128 HydrophobicContact CG-SD 3.68Å; M109-M128 CarbonylContact O-C 3.52Å; M109-M128 WeakPolarHBondContact O-CA 3.15Å; M109-M128 HydrophobicContact SD-CE 3.39Å; M109-M128 WeakPolarHBondContact SD-CE 3.31Å; M109-M128 HydrophobicContact SD-SD 4.03Å; H111-M128 HydrophobicContact CB-SD 4.06Å; I120-M128 HydrophobicContact CG1-CB 4.22Å; I120-M128 HydrophobicContact CG1-CG 4.44Å; I120-M128 HydrophobicContact CG2-CB 3.97Å; T123-M128 HydrophobicContact CG2-CE 4.07Å; M128-Y130 HydrophobicContact CG-CD2 3.89Å; M128-Y130 HydrophobicContact CG-CE2 3.6Å
129L95.7Very high91.3Very high11 Ų1151.8 Ų51.86%0.05830%0.297CS..EExtended strand (participates in β ladder)trans-122117.3166.1176.962.7000109K43 T44 R47 F108 M109 V110 H111 V131K43-L129 HydrophobicContact CD-CD1 4.41Å; T44-L129 HydrophobicContact CG2-CD2 4.36Å; R47-L129 HydrophobicContact CB-CD2 4.33Å; R47-L129 HydrophobicContact CG-CD2 4.38Å; F108-L129 HydrophobicContact CE1-CB 3.7Å; F108-L129 HydrophobicContact CE1-CD2 4.4Å; F108-L129 HydrophobicContact CZ-CB 3.86Å; F108-L129 HydrophobicContact CZ-CD2 4.5Å; M109-L129 PolarHBondContact O-N 2.71Å; V110-L129 CarbonylContact C-O 3.55Å; V110-L129 VanDerWaalsContact CA-O 3.31Å; V110-L129 WeakPolarHBondContact CA-O 3.37Å; V110-L129 HydrophobicContact CG1-CB 4.48Å; V110-L129 HydrophobicContact CG1-CD2 4.33Å; V110-L129 HydrophobicContact CG1-CG 4.39Å; H111-L129 PolarHBondContact N-O 3.07Å; L129-V131 HydrophobicContact CD2-CG2 4.32Å; L129-V131 HydrophobicContact CG-CG2 4.18Å
130Y95.8Very high92Very high9 Ų950.9 Ų50.94%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-86.5134.4167-69.7-92.1000109.9V96 H111 C116 I118 I120 M128V96-Y130 HydrophobicContact CG2-CE1 3.91Å; V96-Y130 WeakPolarHBondContact CG2-OH 3.49Å; H111-Y130 HydrophobicContact CB-CD1 4.03Å; H111-Y130 HydrophobicContact CB-CE1 4.17Å; H111-Y130 AromaticContact CD2-CD1 3.71Å; H111-Y130 AromaticContact CD2-CE1 3.73Å; H111-Y130 WeakPolarHBondContact O-CA 3.44Å; C116-Y130 HydrophobicContact CB-CD2 4Å; C116-Y130 HydrophobicContact CB-CE2 4.12Å; C116-Y130 HydrophobicContact CB-CG 4.27Å; C116-Y130 WeakPolarHBondContact SG-CB 3.48Å; C116-Y130 WeakPolarHBondContact SG-CD2 3.39Å; I118-Y130 PolarHBondContact O-OH 3.1Å; I120-Y130 HydrophobicContact CD1-CD2 4.23Å; I120-Y130 HydrophobicContact CD1-CE2 4.43Å; I120-Y130 HydrophobicContact CG1-CD2 4.07Å; I120-Y130 HydrophobicContact CG1-CE2 3.78Å; M128-Y130 HydrophobicContact CG-CD2 3.89Å; M128-Y130 HydrophobicContact CG-CE2 3.6Å
131V97.1Very high92.7Very high0 Ų050 Ų500%029%0.29CS..EExtended strand (participates in β ladder)trans-121.8111.1170.3177.70000107.2F39 E40 V110 H111 Y112 G113 L129 V133F39-V131 WeakPolarHBondContact O-CG1 3.39Å; E40-V131 HydrophobicContact CB-CG1 4.06Å; E40-V131 HydrophobicContact CB-CG2 4.34Å; E40-V131 HydrophobicContact CG-CG1 4.1Å; V110-V131 HydrophobicContact CG1-CG2 3.79Å; H111-V131 PolarHBondContact O-N 3.45Å; Y112-V131 CarbonylContact C-O 3.58Å; Y112-V131 VanDerWaalsContact CA-O 3.31Å; Y112-V131 WeakPolarHBondContact CA-O 3.43Å; Y112-V131 HydrophobicContact CD1-CB 3.62Å; Y112-V131 HydrophobicContact CD1-CG1 3.7Å; Y112-V131 HydrophobicContact CD1-CG2 4.28Å; Y112-V131 HydrophobicContact CE1-CB 3.76Å; Y112-V131 HydrophobicContact CE1-CG1 3.76Å; Y112-V131 HydrophobicContact CE1-CG2 3.94Å; Y112-V131 HydrophobicContact CG-CB 4.38Å; G113-V131 PolarHBondContact N-O 3.19Å; L129-V131 HydrophobicContact CD2-CG2 4.32Å; L129-V131 HydrophobicContact CG-CG2 4.18Å; V131-V133 HydrophobicContact CG1-CG2 3.95Å; V131-V133 PolarHBondContact O-N 3.11Å
132F95.2Very high93.7Very high70 Ų7042.5 Ų42.531%0.30725%0.25SS..  trans-71.8-22.1-172.8-60.2-12.8000113.2G113 H114 C116 I162G113-F132 CarbonylContact C-O 3.53Å; G113-F132 WeakPolarHBondContact CA-O 3.27Å; H114-F132 WeakPolarHBondContact O-CD1 3.44Å; C116-F132 VanDerWaalsContact SG-CE1 3.53Å; F132-I162 HydrophobicContact CB-CG1 3.85Å; F132-I162 HydrophobicContact CD1-CG1 4.48Å; F132-I162 HydrophobicContact CD2-CD1 3.87Å; F132-I162 HydrophobicContact CD2-CG1 3.87Å; F132-I162 HydrophobicContact CE2-CD1 4.23Å; F132-I162 HydrophobicContact CG-CD1 4.34Å; F132-I162 HydrophobicContact CG-CG1 3.82Å
133V96.6Very high94.6Very high1 Ų141.2 Ų41.21%0.00624%0.238CC..  trans59.372.2-174.4-168.60000110.1Y37 N38 F39 L64 Y112 V131 I135 Q163Y37-V133 HydrophobicContact CD1-CG1 3.67Å; Y37-V133 HydrophobicContact CG-CG1 4.33Å; N38-V133 WeakPolarHBondContact O-CA 3.5Å; F39-V133 HydrophobicContact CD1-CG1 4.46Å; F39-V133 HydrophobicContact CD1-CG2 4.14Å; F39-V133 HydrophobicContact CE1-CG1 4.27Å; F39-V133 HydrophobicContact CE1-CG2 4.33Å; F39-V133 HydrophobicContact CZ-CG1 4.46Å; L64-V133 HydrophobicContact CD1-CB 4.29Å; L64-V133 HydrophobicContact CD1-CG1 4.3Å; L64-V133 HydrophobicContact CD1-CG2 3.89Å; Y112-V133 HydrophobicContact CD1-CG2 3.86Å; V131-V133 HydrophobicContact CG1-CG2 3.95Å; V131-V133 PolarHBondContact O-N 3.11Å; V133-I135 HydrophobicContact CG1-CG1 4.49Å; V133-I135 WeakPolarHBondContact O-CG1 3.4Å; V133-I135 PolarHBondContact O-N 3.01Å; V133-Q163 WeakPolarHBondContact O-CB 3.46Å
134D96.4Very high95.4Very high49 Ų4945.8 Ų45.826%0.26226%0.263SS..EExtended strand (participates in β ladder)trans-63.1128.6171.2-177.473.3000109.4N38 A166N38-D134 HydrophobicContact CB-CB 4.27Å; N38-D134 PolarHBondContact N-O 3.2Å; D134-A166 VanDerWaalsContact OD1-CB 3.23Å; D134-A166 WeakPolarHBondContact OD1-CB 3.32Å
135I96.6Very high96.3Very high10 Ų1043.4 Ų43.45%0.05124%0.241CC..EExtended strand (participates in β ladder)trans-110.9117.6-176.4-57.8173.3000108.8N36 Y37 V133 Q163 F164 Y237N36-I135 CarbonylContact O-C 3.56Å; N36-I135 WeakPolarHBondContact O-CA 3.3Å; Y37-I135 HydrophobicContact CD1-CD1 3.88Å; Y37-I135 HydrophobicContact CD1-CG1 3.75Å; Y37-I135 HydrophobicContact CD2-CG2 4.44Å; Y37-I135 HydrophobicContact CE1-CD1 3.39Å; Y37-I135 HydrophobicContact CE1-CG1 3.77Å; Y37-I135 HydrophobicContact CE2-CG2 4.17Å; Y37-I135 HydrophobicContact CG-CG1 4.19Å; V133-I135 HydrophobicContact CG1-CG1 4.49Å; V133-I135 WeakPolarHBondContact O-CG1 3.4Å; V133-I135 PolarHBondContact O-N 3.01Å; I135-Q163 HydrophobicContact CD1-CB 3.84Å; I135-Q163 HydrophobicContact CD1-CG 4.26Å; I135-Q163 HydrophobicContact CG1-CB 4.07Å; I135-Q163 PolarHBondContact N-O 3.19Å; I135-F164 HydrophobicContact CB-CD1 4.08Å; I135-F164 HydrophobicContact CB-CE1 3.61Å; I135-F164 HydrophobicContact CB-CZ 4.2Å; I135-F164 HydrophobicContact CD1-CE1 4.43Å; I135-F164 HydrophobicContact CD1-CZ 4.16Å; I135-F164 HydrophobicContact CG2-CE1 3.66Å; I135-F164 HydrophobicContact CG2-CZ 4.21Å; I135-Y237 WeakPolarHBondContact CD1-OH 3.32Å
136Q96.7Very high96.9Very high132 Ų13240 Ų4062%0.61721%0.206SC*.  trans-70.3139.8174.7-62.5-177.7-4.600110.7N36N36-Q136 HydrophobicContact CB-CB 4.15Å; N36-Q136 PolarHBondContact O-N 2.68Å
137M96.6Very high97.1Very high35 Ų3542.6 Ų42.617%0.17222%0.217CC..  trans-143.4174.5178.475169.7115.400111.8N139 F164 A167 L212 Y234 P236M137-N139 WeakPolarHBondContact CG-OD1 3.45Å; M137-N139 PolarHBondContact O-N 2.83Å; M137-F164 HydrophobicContact CE-CB 3.72Å; M137-F164 HydrophobicContact CE-CD1 3.42Å; M137-F164 VanDerWaalsContact CE-CD1 3.42Å; M137-F164 HydrophobicContact CE-CE1 4.27Å; M137-F164 HydrophobicContact CE-CG 3.85Å; M137-F164 HydrophobicContact SD-CD1 4.43Å; M137-A167 HydrophobicContact CE-CB 3.22Å; M137-A167 HydrophobicContact CG-CB 4.16Å; M137-A167 HydrophobicContact SD-CB 4.4Å; M137-L212 HydrophobicContact CE-CD1 3.57Å; M137-L212 HydrophobicContact CE-CD2 3.28Å; M137-L212 HydrophobicContact CE-CG 3.68Å; M137-L212 HydrophobicContact SD-CD1 3.73Å; M137-L212 HydrophobicContact SD-CD2 4.36Å; M137-L212 HydrophobicContact SD-CG 4.48Å; M137-Y234 HydrophobicContact SD-CE1 4.46Å; M137-P236 HydrophobicContact CB-CB 4.11Å; M137-P236 HydrophobicContact SD-CB 3.55Å; M137-P236 VanDerWaalsContact SD-CB 3.55Å; M137-P236 HydrophobicContact SD-CG 4.49Å
138D97.9Very high97.3Very high66 Ų6645.8 Ų45.835%0.35323%0.231SC..  trans-76.985.2174.5-169.2-15.7000111.6A140 H141 F142 K239D138-A140 VanDerWaalsContact C-N 3.25Å; D138-A140 PolarHBondContact O-N 3.22Å; D138-A140 PolarHBondContact OD1-N 3.27Å; D138-H141 HydrophobicContact CB-CB 4.08Å; D138-H141 VanDerWaalsContact CG-CB 3.41Å; D138-H141 PolarHBondContact O-N 3.03Å; D138-H141 PolarHBondContact OD1-N 3.41Å; D138-H141 WeakPolarHBondContact OD2-CB 3.32Å; D138-F142 PolarHBondContact O-N 2.78Å; D138-K239 IonicContact OD2-NZ 3.92Å; D138-K239 PolarHBondContact OD2-NZ 3.26Å
139N98.2Very high97.5Very high57 Ų5749.1 Ų49.131%0.30525%0.249SC..Hα-helixtrans-62.3-32.3179.1-68.6-5.5000112.7M137 F142 L143 A167 V171M137-N139 WeakPolarHBondContact CG-OD1 3.45Å; M137-N139 PolarHBondContact O-N 2.83Å; N139-F142 PolarHBondContact O-N 2.95Å; N139-L143 WeakPolarHBondContact O-CB 3.2Å; N139-L143 PolarHBondContact O-N 3.3Å; N139-A167 WeakPolarHBondContact OD1-CB 2.97Å; N139-V171 HydrophobicContact CB-CG2 4.01Å
140A98.3Very high97.6Very high58 Ų5849.1 Ų49.148%0.47925%0.248SC..Hα-helixtrans-66.9-47.1-18000000110.3D138 F142 L143 D144D138-A140 VanDerWaalsContact C-N 3.25Å; D138-A140 PolarHBondContact O-N 3.22Å; D138-A140 PolarHBondContact OD1-N 3.27Å; A140-F142 VanDerWaalsContact C-N 3.34Å; A140-F142 PolarHBondContact O-N 2.96Å; A140-L143 WeakPolarHBondContact O-CB 3.24Å; A140-L143 PolarHBondContact O-N 2.79Å; A140-D144 WeakPolarHBondContact O-CB 3.41Å; A140-D144 PolarHBondContact O-N 3.4Å
141H98.6Very high97.7Very high60 Ų6055.4 Ų55.428%0.27828%0.278SS..Hα-helixtrans-60-43.2175.7-177.8-84.4000112.3D138 D144 T145 Y234D138-H141 HydrophobicContact CB-CB 4.08Å; D138-H141 VanDerWaalsContact CG-CB 3.41Å; D138-H141 PolarHBondContact O-N 3.03Å; D138-H141 PolarHBondContact OD1-N 3.41Å; D138-H141 WeakPolarHBondContact OD2-CB 3.32Å; H141-D144 PolarHBondContact O-N 2.84Å; H141-T145 PolarHBondContact CE1-OG1 3.04Å; H141-T145 PolarHBondContact ND1-OG1 2.78Å; H141-T145 VanDerWaalsContact O-CB 3.24Å; H141-T145 WeakPolarHBondContact O-CB 3.44Å; H141-T145 PolarHBondContact O-N 3.05Å; H141-T145 PolarHBondContact O-OG1 3.49Å; H141-Y234 AromaticContact CE1-CE2 3.82Å; H141-Y234 AromaticContact ND1-CE2 3.49Å; H141-Y234 WeakPolarHBondContact ND1-CE2 3.39Å; H141-Y234 AromaticContact ND1-CZ 3.55Å; H141-Y234 PolarHBondContact ND1-OH 3.38Å
142F98.6Very high97.7Very high0 Ų059.8 Ų59.80%031%0.306CS..Hα-helixtrans-63-44.8177-179.9-143.8000111.6D138 N139 A140 T145 V146 V171 I210 L212 Y234D138-F142 PolarHBondContact O-N 2.78Å; N139-F142 PolarHBondContact O-N 2.95Å; A140-F142 VanDerWaalsContact C-N 3.34Å; A140-F142 PolarHBondContact O-N 2.96Å; F142-T145 WeakPolarHBondContact O-CB 3.39Å; F142-T145 PolarHBondContact O-N 3.19Å; F142-V146 HydrophobicContact CD2-CG2 4.03Å; F142-V146 HydrophobicContact CE2-CG2 3.63Å; F142-V146 HydrophobicContact CZ-CG2 4.15Å; F142-V146 WeakPolarHBondContact O-CG2 3.39Å; F142-V146 PolarHBondContact O-N 3.27Å; F142-V171 HydrophobicContact CD1-CB 4.11Å; F142-V171 HydrophobicContact CD1-CG1 3.82Å; F142-V171 HydrophobicContact CD1-CG2 3.9Å; F142-V171 HydrophobicContact CE1-CB 4.3Å; F142-V171 HydrophobicContact CE1-CG1 3.92Å; F142-I210 HydrophobicContact CE2-CG2 3.86Å; F142-I210 HydrophobicContact CZ-CG2 3.79Å; F142-L212 HydrophobicContact CD1-CD1 4.09Å; F142-L212 HydrophobicContact CD1-CD2 4.14Å; F142-L212 HydrophobicContact CE1-CB 4.23Å; F142-L212 HydrophobicContact CE1-CD1 4.04Å; F142-L212 HydrophobicContact CE1-CD2 3.79Å; F142-L212 HydrophobicContact CE1-CG 4.26Å; F142-L212 HydrophobicContact CG-CD1 4.49Å; F142-L212 HydrophobicContact CZ-CB 4.27Å; F142-L212 HydrophobicContact CZ-CD1 4.37Å; F142-Y234 HydrophobicContact CB-CD1 4.16Å; F142-Y234 HydrophobicContact CB-CE1 3.72Å; F142-Y234 HydrophobicContact CB-CE2 4.35Å; F142-Y234 AromaticContact CD2-CD1 3.53Å; F142-Y234 HydrophobicContact CD2-CD1 3.53Å; F142-Y234 AromaticContact CD2-CD2 3.71Å; F142-Y234 HydrophobicContact CD2-CD2 3.71Å; F142-Y234 AromaticContact CD2-CE1 3.97Å; F142-Y234 HydrophobicContact CD2-CE1 3.97Å; F142-Y234 HydrophobicContact CD2-CE2 4.16Å; F142-Y234 AromaticContact CD2-CG 3.35Å; F142-Y234 HydrophobicContact CD2-CG 3.35Å; F142-Y234 HydrophobicContact CE2-CD1 4.08Å; F142-Y234 HydrophobicContact CE2-CD2 4.35Å; F142-Y234 AromaticContact CE2-CG 3.74Å; F142-Y234 HydrophobicContact CE2-CG 3.74Å; F142-Y234 AromaticContact CG-CD1 3.86Å; F142-Y234 HydrophobicContact CG-CD1 3.86Å; F142-Y234 AromaticContact CG-CE1 3.95Å; F142-Y234 HydrophobicContact CG-CE1 3.95Å; F142-Y234 HydrophobicContact CG-CG 4.16Å
143L98.6Very high97.8Very high31 Ų3159.4 Ų59.416%0.16232%0.322CS..Hα-helixtrans-57.9-51.1176.2179.165.3000111.8N139 A140 T145 V146 K147 V171 A174 L175N139-L143 WeakPolarHBondContact O-CB 3.2Å; N139-L143 PolarHBondContact O-N 3.3Å; A140-L143 WeakPolarHBondContact O-CB 3.24Å; A140-L143 PolarHBondContact O-N 2.79Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 2.88Å; L143-V146 PolarHBondContact O-N 3.07Å; L143-K147 WeakPolarHBondContact O-CG 3.25Å; L143-K147 PolarHBondContact O-N 2.74Å; L143-V171 HydrophobicContact CB-CG1 4.41Å; L143-V171 HydrophobicContact CD1-CG1 4.21Å; L143-A174 HydrophobicContact CD1-CB 4.06Å; L143-A174 HydrophobicContact CD2-CB 4.03Å; L143-L175 HydrophobicContact CD1-CD1 4.49Å; L143-L175 HydrophobicContact CD1-CD2 3.48Å; L143-L175 VanDerWaalsContact CD1-CD2 3.48Å; L143-L175 HydrophobicContact CD1-CG 3.58Å
144D98.5Very high97.9Very high101 Ų10161.7 Ų61.754%0.5433%0.333SS..Hα-helixtrans-63.2-37179.8-70.4-19000111.5A140 H141 K147 F148A140-D144 WeakPolarHBondContact O-CB 3.41Å; A140-D144 PolarHBondContact O-N 3.4Å; H141-D144 PolarHBondContact O-N 2.84Å; D144-K147 PolarHBondContact O-N 3.3Å; D144-F148 VanDerWaalsContact O-CB 3.3Å; D144-F148 WeakPolarHBondContact O-CB 3.41Å; D144-F148 PolarHBondContact O-N 3.48Å
145T98.6Very high98Very high18 Ų1859.7 Ų59.711%0.1132%0.323CS..Hα-helixtrans-61.6-45.4175-63.20000111.4H141 F142 L143 F148 N149 Y234 F241H141-T145 PolarHBondContact CE1-OG1 3.04Å; H141-T145 PolarHBondContact ND1-OG1 2.78Å; H141-T145 VanDerWaalsContact O-CB 3.24Å; H141-T145 WeakPolarHBondContact O-CB 3.44Å; H141-T145 PolarHBondContact O-N 3.05Å; H141-T145 PolarHBondContact O-OG1 3.49Å; F142-T145 WeakPolarHBondContact O-CB 3.39Å; F142-T145 PolarHBondContact O-N 3.19Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 2.88Å; T145-F148 PolarHBondContact O-N 2.85Å; T145-N149 PolarHBondContact O-N 2.91Å; T145-N149 PolarHBondContact O-ND2 3.49Å; T145-Y234 HydrophobicContact CG2-CD2 4.11Å; T145-Y234 HydrophobicContact CG2-CE2 4.35Å; T145-F241 HydrophobicContact CG2-CB 3.47Å; T145-F241 VanDerWaalsContact CG2-CB 3.47Å; T145-F241 HydrophobicContact CG2-CD1 3.97Å; T145-F241 HydrophobicContact CG2-CD2 4.07Å; T145-F241 HydrophobicContact CG2-CG 3.57Å
146V98.6Very high98.1Very high0 Ų059.2 Ų59.20%032%0.32CS..Hα-helixtrans-62.6-47175.7175.50000110F142 L143 F148 N149 F150 L156 L175 I210F142-V146 HydrophobicContact CD2-CG2 4.03Å; F142-V146 HydrophobicContact CE2-CG2 3.63Å; F142-V146 HydrophobicContact CZ-CG2 4.15Å; F142-V146 WeakPolarHBondContact O-CG2 3.39Å; F142-V146 PolarHBondContact O-N 3.27Å; L143-V146 PolarHBondContact O-N 3.07Å; V146-F148 VanDerWaalsContact C-N 3.27Å; V146-F148 PolarHBondContact O-N 2.79Å; V146-N149 PolarHBondContact O-N 3.46Å; V146-F150 HydrophobicContact CG1-CD2 4.04Å; V146-F150 WeakPolarHBondContact O-CD2 3.36Å; V146-F150 PolarHBondContact O-N 2.84Å; V146-L156 HydrophobicContact CG1-CD1 3.78Å; V146-L175 HydrophobicContact CB-CD1 4.37Å; V146-L175 HydrophobicContact CB-CD2 4.31Å; V146-L175 HydrophobicContact CG1-CD1 3.9Å; V146-L175 HydrophobicContact CG1-CD2 3.87Å; V146-I210 HydrophobicContact CG1-CD1 3.97Å; V146-I210 HydrophobicContact CG2-CD1 4.08Å
147K98.4Very high98.2Very high68 Ų6853 Ų5330%0.29629%0.291SS..Hα-helixtrans-63.9-30.1-180-68-172.1-177.2-160.50114.1L143 D144 L175 E178 Y179L143-K147 WeakPolarHBondContact O-CG 3.25Å; L143-K147 PolarHBondContact O-N 2.74Å; D144-K147 PolarHBondContact O-N 3.3Å; K147-L175 HydrophobicContact CG-CD2 4.18Å; K147-E178 IonicContact NZ-OE1 3.27Å; K147-E178 PolarHBondContact NZ-OE1 3.38Å; K147-E178 IonicContact NZ-OE2 3.57Å; K147-Y179 WeakPolarHBondContact CA-OH 3.17Å; K147-Y179 HydrophobicContact CG-CE2 4.11Å
148F98.3Very high98.3Very high176 Ų17651.3 Ų51.377%0.77228%0.283SS*.Hα-helixtrans-71.7-35.5176.8-179.9-94.4000112.4D144 T145 V146D144-F148 VanDerWaalsContact O-CB 3.3Å; D144-F148 WeakPolarHBondContact O-CB 3.41Å; D144-F148 PolarHBondContact O-N 3.48Å; T145-F148 PolarHBondContact O-N 2.85Å; V146-F148 VanDerWaalsContact C-N 3.27Å; V146-F148 PolarHBondContact O-N 2.79Å
149N98.4Very high98.3Very high79 Ų7948.1 Ų48.142%0.42227%0.266SS..Hα-helixtrans-96.3-18.1-171.5-72.5-82.3000114.3T145 V146 F241T145-N149 PolarHBondContact O-N 2.91Å; T145-N149 PolarHBondContact O-ND2 3.49Å; V146-N149 PolarHBondContact O-N 3.46Å; N149-F241 HydrophobicContact CB-CD1 4.26Å; N149-F241 HydrophobicContact CB-CE1 3.84Å; N149-F241 WeakPolarHBondContact ND2-CD1 3.5Å
150F98.4Very high98.3Very high11 Ų1145.4 Ų45.45%0.04825%0.251CS..SBendtrans-124.2144.1-177.4-62.4-80.9000111.1V146 Q154 L156 Y179 A208 I210 Y232 F241V146-F150 HydrophobicContact CG1-CD2 4.04Å; V146-F150 WeakPolarHBondContact O-CD2 3.36Å; V146-F150 PolarHBondContact O-N 2.84Å; F150-Q154 VanDerWaalsContact CA-OE1 3.3Å; F150-Q154 VanDerWaalsContact CB-OE1 3.32Å; F150-L156 HydrophobicContact CB-CD1 4.35Å; F150-L156 HydrophobicContact CB-CD2 4.41Å; F150-L156 HydrophobicContact CD1-CD2 3.77Å; F150-L156 HydrophobicContact CD2-CD2 4.49Å; F150-L156 HydrophobicContact CE1-CD2 4.15Å; F150-L156 HydrophobicContact CG-CD1 4.37Å; F150-L156 HydrophobicContact CG-CD2 3.96Å; F150-Y179 HydrophobicContact CB-CE1 3.9Å; F150-Y179 PolarHBondContact O-OH 3.05Å; F150-Y179 VanDerWaalsContact O-OH 3.07Å; F150-A208 HydrophobicContact CD1-CB 4.38Å; F150-A208 HydrophobicContact CE1-CB 3.47Å; F150-A208 VanDerWaalsContact CE1-CB 3.47Å; F150-A208 HydrophobicContact CZ-CB 3.84Å; F150-I210 HydrophobicContact CD2-CD1 4.06Å; F150-I210 HydrophobicContact CE2-CD1 3.59Å; F150-I210 HydrophobicContact CE2-CG1 4.19Å; F150-I210 HydrophobicContact CZ-CD1 4.11Å; F150-I210 HydrophobicContact CZ-CG1 4.31Å; F150-Y232 HydrophobicContact CE1-CD2 4.39Å; F150-Y232 AromaticContact CE1-CE2 3.93Å; F150-Y232 HydrophobicContact CE1-CE2 3.93Å; F150-Y232 HydrophobicContact CZ-CD1 4.38Å; F150-Y232 AromaticContact CZ-CD2 3.74Å; F150-Y232 HydrophobicContact CZ-CD2 3.74Å; F150-Y232 HydrophobicContact CZ-CE1 4.33Å; F150-Y232 AromaticContact CZ-CE2 3.68Å; F150-Y232 HydrophobicContact CZ-CE2 3.68Å; F150-Y232 HydrophobicContact CZ-CG 4.1Å; F150-F241 AromaticContact CE2-CE1 3.89Å; F150-F241 HydrophobicContact CE2-CE1 3.89Å; F150-F241 AromaticContact CE2-CZ 3.66Å; F150-F241 HydrophobicContact CE2-CZ 3.66Å; F150-F241 HydrophobicContact CZ-CE1 4.37Å; F150-F241 HydrophobicContact CZ-CZ 4.13Å
151H97.1Very high98.3Very high142 Ų14243 Ų4366%0.65723%0.231SC*.  trans-81.4144.9177.1-61.4-64000110.9G153 Q154 Y179H151-G153 PolarHBondContact O-N 3.04Å; H151-Q154 HydrophobicContact CB-CG 4.44Å; H151-Q154 WeakPolarHBondContact O-CB 3.26Å; H151-Q154 WeakPolarHBondContact O-CG 3.47Å; H151-Q154 PolarHBondContact O-N 2.79Å; H151-Y179 VanDerWaalsContact O-CE1 3.24Å; H151-Y179 WeakPolarHBondContact O-CE1 3.48Å
152P97.8Very high98.2Very high91 Ų9141 Ų4159%0.59122%0.222SC*.THydrogen-bonded Turntrans-53.3141.6171.1-26.334.9000112E178P152-E178 CarbonylContact C-O 3.6Å; P152-E178 WeakPolarHBondContact CA-O 3.45Å
153G97.2Very high98.1Very high62 Ų6242.8 Ų42.864%0.63923%0.23SC*.THydrogen-bonded Turntrans91-11.6-176.900000115H151 E178H151-G153 PolarHBondContact O-N 3.04Å; G153-E178 PolarHBondContact N-O 2.91Å
154Q98.3Very high98.1Very high50 Ų5041.5 Ų41.523%0.23422%0.223CC..  trans-66.4147.1174-69.7-170.3-70.500111.9F150 H151 L156 D180 D207F150-Q154 VanDerWaalsContact CA-OE1 3.3Å; F150-Q154 VanDerWaalsContact CB-OE1 3.32Å; H151-Q154 HydrophobicContact CB-CG 4.44Å; H151-Q154 WeakPolarHBondContact O-CB 3.26Å; H151-Q154 WeakPolarHBondContact O-CG 3.47Å; H151-Q154 PolarHBondContact O-N 2.79Å; Q154-L156 HydrophobicContact CB-CD2 4.28Å; Q154-D180 PolarHBondContact O-N 3.31Å; Q154-D207 WeakPolarHBondContact CA-OD2 3.3Å; Q154-D207 HydrophobicContact CB-CB 4.38Å
155S98.4Very high98Very high7 Ų737.5 Ų37.55%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-90.2117175.5-163.70000110.2D180 R204 H205 V206 D207 A208S155-D180 CarbonylContact C-O 3.54Å; S155-D180 VanDerWaalsContact CA-O 3.23Å; S155-D180 WeakPolarHBondContact CA-O 3.43Å; S155-D180 WeakPolarHBondContact CB-OD2 3.22Å; S155-D180 PolarHBondContact OG-O 3.18Å; S155-D180 PolarHBondContact OG-OD2 3.45Å; S155-R204 PolarHBondContact OG-NH2 3.43Å; S155-H205 PolarHBondContact OG-O 2.99Å; S155-V206 WeakPolarHBondContact O-CG1 3.5Å; S155-D207 PolarHBondContact N-OD2 3.42Å; S155-D207 WeakPolarHBondContact O-CB 3.22Å; S155-D207 PolarHBondContact O-N 3Å; S155-A208 PolarHBondContact O-N 3.38Å
156L98.8Very high97.9Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-121.2126.5-172.5-55.3178.6000110.3V146 F150 Q154 L158 Y179 D180 L182 A208 I210V146-L156 HydrophobicContact CG1-CD1 3.78Å; F150-L156 HydrophobicContact CB-CD1 4.35Å; F150-L156 HydrophobicContact CB-CD2 4.41Å; F150-L156 HydrophobicContact CD1-CD2 3.77Å; F150-L156 HydrophobicContact CD2-CD2 4.49Å; F150-L156 HydrophobicContact CE1-CD2 4.15Å; F150-L156 HydrophobicContact CG-CD1 4.37Å; F150-L156 HydrophobicContact CG-CD2 3.96Å; Q154-L156 HydrophobicContact CB-CD2 4.28Å; L156-L158 HydrophobicContact CB-CD1 3.8Å; L156-Y179 HydrophobicContact CD1-CD1 3.55Å; L156-Y179 HydrophobicContact CD1-CE1 4.11Å; L156-Y179 HydrophobicContact CD1-CG 3.97Å; L156-Y179 HydrophobicContact CG-CD1 4.23Å; L156-D180 PolarHBondContact N-O 3.25Å; L156-L182 PolarHBondContact O-N 2.89Å; L156-A208 HydrophobicContact CD2-CB 4.04Å; L156-I210 HydrophobicContact CB-CD1 4.41Å; L156-I210 HydrophobicContact CD1-CD1 4.05Å; L156-I210 HydrophobicContact CD2-CD1 4.33Å
157A98.8Very high97.8Very high0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-93.3121.2170.700000110.3L182 L202 V206 A208 I209 I210A157-L182 CarbonylContact C-O 3.55Å; A157-L182 VanDerWaalsContact CA-O 3.29Å; A157-L182 WeakPolarHBondContact CA-O 3.45Å; A157-L182 HydrophobicContact CB-CB 4.45Å; A157-L182 HydrophobicContact CB-CD2 4.49Å; A157-L202 HydrophobicContact CB-CD1 3.67Å; A157-V206 HydrophobicContact CB-CG1 3.69Å; A157-V206 HydrophobicContact CB-CG2 4.4Å; A157-A208 PolarHBondContact N-O 2.82Å; A157-I209 HydrophobicContact CB-CG1 4.18Å; A157-I209 CarbonylContact O-C 3.41Å; A157-I209 WeakPolarHBondContact O-CA 3.19Å; A157-I210 PolarHBondContact O-N 2.76Å
158L98.8Very high97.8Very high0 Ų036.4 Ų36.40%021%0.208CC..EExtended strand (participates in β ladder)trans-106.9121.9-178.2-82.382.9000109.7L156 L168 S172 L175 V181 L182 V183L156-L158 HydrophobicContact CB-CD1 3.8Å; L158-L168 HydrophobicContact CB-CD1 3.86Å; L158-L168 HydrophobicContact CB-CG 4.31Å; L158-L168 HydrophobicContact CD2-CD1 4.3Å; L158-S172 WeakPolarHBondContact CD2-OG 3.3Å; L158-L175 HydrophobicContact CD2-CD1 3.9Å; L158-V181 HydrophobicContact CD1-CG1 3.79Å; L158-L182 PolarHBondContact N-O 2.84Å; L158-V183 HydrophobicContact CB-CG2 4.4Å
159V98.8Very high97.8Very high0 Ų030.9 Ų30.90%019%0.185CC..EExtended strand (participates in β ladder)trans-137.6161.9179.8-65.80000111.9P184 G192 I194 I209 I210 Y211 L212 I222V159-P184 HydrophobicContact CG1-CG 3.54Å; V159-G192 CarbonylContact C-O 3.26Å; V159-G192 VanDerWaalsContact CA-O 3.22Å; V159-G192 WeakPolarHBondContact CA-O 3.26Å; V159-I194 HydrophobicContact CB-CD1 4.19Å; V159-I194 HydrophobicContact CB-CG1 4.43Å; V159-I194 HydrophobicContact CB-CG2 4.17Å; V159-I194 HydrophobicContact CG1-CG2 4.15Å; V159-I194 HydrophobicContact CG2-CD1 3.92Å; V159-I209 HydrophobicContact CG2-CG2 4Å; V159-I210 PolarHBondContact N-O 2.84Å; V159-Y211 HydrophobicContact CG2-CD2 4.31Å; V159-Y211 CarbonylContact O-C 3.56Å; V159-Y211 WeakPolarHBondContact O-CA 3.35Å; V159-L212 PolarHBondContact O-N 2.74Å; V159-I222 HydrophobicContact CB-CD1 4.34Å; V159-I222 HydrophobicContact CG1-CD1 3.67Å; V159-I222 HydrophobicContact CG2-CD1 3.92Å; V159-I222 HydrophobicContact CG2-CG2 4.23Å
160S98.4Very high97.8Very high0 Ų029.5 Ų29.50%018%0.184CC..EExtended strand (participates in β ladder)trans-163.4173-171.9-175.30000111.3F164 G192 E193 I194 L212S160-F164 WeakPolarHBondContact OG-CB 3.41Å; S160-G192 PolarHBondContact N-O 3.5Å; S160-E193 CarbonylContact O-C 3.44Å; S160-E193 WeakPolarHBondContact O-CA 3.24Å; S160-I194 PolarHBondContact O-N 3Å; S160-L212 WeakPolarHBondContact CA-O 3.41Å; S160-L212 PolarHBondContact OG-O 3.3Å; S160-L212 VanDerWaalsContact OG-O 3.06Å
161T97.2Very high97.8Very high8 Ų829.1 Ų29.15%0.04918%0.182CC..  trans-86.2165.515958.90000111.3Q163 F164 V165 Y211 H218T161-Q163 PolarHBondContact O-N 2.78Å; T161-Q163 VanDerWaalsContact O-N 3.13Å; T161-Q163 PolarHBondContact OG1-OE1 2.64Å; T161-F164 PolarHBondContact O-N 2.97Å; T161-V165 WeakPolarHBondContact O-CG2 3.18Å; T161-Y211 HydrophobicContact CG2-CE2 4.24Å; T161-Y211 WeakPolarHBondContact CG2-OH 3.43Å; T161-H218 HydrophobicContact CG2-CB 3.94Å; T161-H218 VanDerWaalsContact CG2-CG 3.45Å; T161-H218 VanDerWaalsContact CG2-ND1 3.32Å; T161-H218 WeakPolarHBondContact CG2-ND1 3.19Å
162I96.4Very high97.9Very high16 Ų1622.3 Ų22.38%0.08215%0.151CC..G310 helixtrans-53.9-34.6-174.5-169.761.5000113.8F132 F164 V165 E193F132-I162 HydrophobicContact CB-CG1 3.85Å; F132-I162 HydrophobicContact CD1-CG1 4.48Å; F132-I162 HydrophobicContact CD2-CD1 3.87Å; F132-I162 HydrophobicContact CD2-CG1 3.87Å; F132-I162 HydrophobicContact CE2-CD1 4.23Å; F132-I162 HydrophobicContact CG-CD1 4.34Å; F132-I162 HydrophobicContact CG-CG1 3.82Å; I162-F164 PolarHBondContact O-N 3.36Å; I162-V165 HydrophobicContact CD1-CG2 4.34Å; I162-V165 PolarHBondContact O-N 2.84Å; I162-E193 HydrophobicContact CB-CG 4.45Å
163Q96.9Very high97.9Very high39 Ų3920.4 Ų20.418%0.18214%0.143CC..G310 helixtrans-66.2-20.5-174.6-55.885.9-2.800113.3G113 V133 I135 T161G113-Q163 PolarHBondContact O-NE2 3.33Å; V133-Q163 WeakPolarHBondContact O-CB 3.46Å; I135-Q163 HydrophobicContact CD1-CB 3.84Å; I135-Q163 HydrophobicContact CD1-CG 4.26Å; I135-Q163 HydrophobicContact CG1-CB 4.07Å; I135-Q163 PolarHBondContact N-O 3.19Å; T161-Q163 PolarHBondContact O-N 2.78Å; T161-Q163 VanDerWaalsContact O-N 3.13Å; T161-Q163 PolarHBondContact OG1-OE1 2.64Å
164F97.9Very high98Very high3 Ų319.5 Ų19.51%0.01313%0.13CC..G310 helixtrans-120.48.7-177.9-59-69.4000113.5I135 M137 S160 T161 I162 A166 A167 L168 L212 P236 Y237I135-F164 HydrophobicContact CB-CD1 4.08Å; I135-F164 HydrophobicContact CB-CE1 3.61Å; I135-F164 HydrophobicContact CB-CZ 4.2Å; I135-F164 HydrophobicContact CD1-CE1 4.43Å; I135-F164 HydrophobicContact CD1-CZ 4.16Å; I135-F164 HydrophobicContact CG2-CE1 3.66Å; I135-F164 HydrophobicContact CG2-CZ 4.21Å; M137-F164 HydrophobicContact CE-CB 3.72Å; M137-F164 HydrophobicContact CE-CD1 3.42Å; M137-F164 VanDerWaalsContact CE-CD1 3.42Å; M137-F164 HydrophobicContact CE-CE1 4.27Å; M137-F164 HydrophobicContact CE-CG 3.85Å; M137-F164 HydrophobicContact SD-CD1 4.43Å; S160-F164 WeakPolarHBondContact OG-CB 3.41Å; T161-F164 PolarHBondContact O-N 2.97Å; I162-F164 PolarHBondContact O-N 3.36Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.09Å; F164-A167 PolarHBondContact O-N 3.3Å; F164-L168 PolarHBondContact O-N 2.7Å; F164-L212 HydrophobicContact CB-CD2 4.07Å; F164-L212 HydrophobicContact CB-CG 4.07Å; F164-P236 HydrophobicContact CD1-CG 4.39Å; F164-P236 HydrophobicContact CE1-CB 4.26Å; F164-P236 HydrophobicContact CE1-CG 3.71Å; F164-P236 HydrophobicContact CE2-CG 3.9Å; F164-P236 HydrophobicContact CZ-CB 4.44Å; F164-P236 HydrophobicContact CZ-CG 3.44Å; F164-P236 VanDerWaalsContact CZ-CG 3.44Å; F164-Y237 HydrophobicContact CE2-CE2 4.45Å; F164-Y237 AromaticContact CZ-CE2 3.89Å; F164-Y237 HydrophobicContact CZ-CE2 3.89Å; F164-Y237 AromaticContact CZ-CZ 3.86Å
165V96.3Very high98Very high17 Ų1717.1 Ų17.110%0.10312%0.118CC..Hα-helixtrans-60.7-37.4-177.6172.90000111.7T161 I162 A167 L168 Q169 E193T161-V165 WeakPolarHBondContact O-CG2 3.18Å; I162-V165 HydrophobicContact CD1-CG2 4.34Å; I162-V165 PolarHBondContact O-N 2.84Å; V165-A167 PolarHBondContact O-N 2.97Å; V165-L168 WeakPolarHBondContact O-CB 3.27Å; V165-L168 PolarHBondContact O-N 3.22Å; V165-Q169 HydrophobicContact CG1-CG 4.23Å; V165-Q169 VanDerWaalsContact O-CG 3.27Å; V165-Q169 WeakPolarHBondContact O-CG 3.34Å; V165-Q169 PolarHBondContact O-N 3.03Å; V165-E193 HydrophobicContact CG2-CB 4.06Å
166A96.6Very high98Very high55 Ų5522.8 Ų22.846%0.45514%0.139SC..Hα-helixtrans-61.7-45.8178.700000111.8D134 F164 Q169 A170D134-A166 VanDerWaalsContact OD1-CB 3.23Å; D134-A166 WeakPolarHBondContact OD1-CB 3.32Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.09Å; A166-Q169 PolarHBondContact O-N 2.91Å; A166-A170 PolarHBondContact O-N 3.14Å
167A97.9Very high97.9Very high9 Ų928.1 Ų28.17%0.07417%0.173CC..Hα-helixtrans-66.2-40.2175.800000112.3M137 N139 F164 V165 Q169 A170 V171M137-A167 HydrophobicContact CE-CB 3.22Å; M137-A167 HydrophobicContact CG-CB 4.16Å; M137-A167 HydrophobicContact SD-CB 4.4Å; N139-A167 WeakPolarHBondContact OD1-CB 2.97Å; F164-A167 PolarHBondContact O-N 3.3Å; V165-A167 PolarHBondContact O-N 2.97Å; A167-Q169 VanDerWaalsContact C-N 3.3Å; A167-Q169 PolarHBondContact O-N 3.44Å; A167-A170 PolarHBondContact O-N 2.79Å; A167-V171 PolarHBondContact O-N 3.26Å
168L98.4Very high97.9Very high0 Ų031.9 Ų31.90%019%0.191CC..Hα-helixtrans-55.6-45.9172.8-170.379.5000111.1L158 F164 V165 S172 V183 L212L158-L168 HydrophobicContact CB-CD1 3.86Å; L158-L168 HydrophobicContact CB-CG 4.31Å; L158-L168 HydrophobicContact CD2-CD1 4.3Å; F164-L168 PolarHBondContact O-N 2.7Å; V165-L168 WeakPolarHBondContact O-CB 3.27Å; V165-L168 PolarHBondContact O-N 3.22Å; L168-S172 WeakPolarHBondContact O-CB 3.26Å; L168-S172 PolarHBondContact O-N 3.26Å; L168-S172 PolarHBondContact O-OG 3.37Å; L168-V183 HydrophobicContact CD2-CG1 4.36Å; L168-L212 HydrophobicContact CB-CD2 3.96Å; L168-L212 HydrophobicContact CD1-CB 3.88Å; L168-L212 HydrophobicContact CD1-CD2 3.88Å
169Q98.1Very high97.9Very high60 Ų6032.4 Ų32.428%0.2819%0.193SC..Hα-helixtrans-65.6-42.1179.2-67.7-60.5-29.200112.1V165 A166 A167 S172 A173 P191V165-Q169 HydrophobicContact CG1-CG 4.23Å; V165-Q169 VanDerWaalsContact O-CG 3.27Å; V165-Q169 WeakPolarHBondContact O-CG 3.34Å; V165-Q169 PolarHBondContact O-N 3.03Å; A166-Q169 PolarHBondContact O-N 2.91Å; A167-Q169 VanDerWaalsContact C-N 3.3Å; A167-Q169 PolarHBondContact O-N 3.44Å; Q169-S172 PolarHBondContact O-N 3.49Å; Q169-A173 WeakPolarHBondContact O-CB 3.47Å; Q169-A173 PolarHBondContact O-N 2.78Å; Q169-P191 PolarHBondContact NE2-O 3.27Å
170A98.3Very high97.9Very high49 Ų4935.8 Ų35.841%0.40521%0.211SC..Hα-helixtrans-61.5-48.3177.300000111.7A166 A167 A173 A174A166-A170 PolarHBondContact O-N 3.14Å; A167-A170 PolarHBondContact O-N 2.79Å; A170-A173 PolarHBondContact O-N 3.02Å; A170-A174 PolarHBondContact O-N 2.96Å; A170-A174 VanDerWaalsContact O-N 3.16Å
171V98.4Very high97.8Very high3 Ų336.7 Ų36.72%0.01822%0.216CC..Hα-helixtrans-67.9-40.2178.4172.70000111.4N139 F142 L143 A167 A173 A174 L175N139-V171 HydrophobicContact CB-CG2 4.01Å; F142-V171 HydrophobicContact CD1-CB 4.11Å; F142-V171 HydrophobicContact CD1-CG1 3.82Å; F142-V171 HydrophobicContact CD1-CG2 3.9Å; F142-V171 HydrophobicContact CE1-CB 4.3Å; F142-V171 HydrophobicContact CE1-CG1 3.92Å; L143-V171 HydrophobicContact CB-CG1 4.41Å; L143-V171 HydrophobicContact CD1-CG1 4.21Å; A167-V171 PolarHBondContact O-N 3.26Å; V171-A173 VanDerWaalsContact C-N 3.29Å; V171-A173 PolarHBondContact O-N 3.33Å; V171-A174 PolarHBondContact O-N 3.25Å; V171-A174 VanDerWaalsContact O-N 3.11Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.27Å; V171-L175 WeakPolarHBondContact O-CG 3.3Å; V171-L175 PolarHBondContact O-N 3.33Å
172S98.2Very high97.9Very high0 Ų037.8 Ų37.80%022%0.222CC..Hα-helixtrans-57.1-42.8174.3-62.80000111.7L158 L168 Q169 L175 R176 V183L158-S172 WeakPolarHBondContact CD2-OG 3.3Å; L168-S172 WeakPolarHBondContact O-CB 3.26Å; L168-S172 PolarHBondContact O-N 3.26Å; L168-S172 PolarHBondContact O-OG 3.37Å; Q169-S172 PolarHBondContact O-N 3.49Å; S172-L175 PolarHBondContact O-N 3.06Å; S172-R176 WeakPolarHBondContact O-CG 3.49Å; S172-R176 PolarHBondContact O-N 2.66Å; S172-V183 VanDerWaalsContact OG-CG2 3.31Å; S172-V183 WeakPolarHBondContact OG-CG2 3.45Å
173A98.5Very high98Very high50 Ų5038.3 Ų38.341%0.41323%0.226SC..Hα-helixtrans-64.7-38.6176.900000112.6Q169 A170 V171 L175Q169-A173 WeakPolarHBondContact O-CB 3.47Å; Q169-A173 PolarHBondContact O-N 2.78Å; A170-A173 PolarHBondContact O-N 3.02Å; V171-A173 VanDerWaalsContact C-N 3.29Å; V171-A173 PolarHBondContact O-N 3.33Å; A173-L175 VanDerWaalsContact C-N 3.35Å
174A98.4Very high98Very high44 Ų4437.1 Ų37.136%0.36422%0.221SC..Hα-helixtrans-71.5-25.8177.900000113.7L143 A170 V171 P177L143-A174 HydrophobicContact CD1-CB 4.06Å; L143-A174 HydrophobicContact CD2-CB 4.03Å; A170-A174 PolarHBondContact O-N 2.96Å; A170-A174 VanDerWaalsContact O-N 3.16Å; V171-A174 PolarHBondContact O-N 3.25Å; V171-A174 VanDerWaalsContact O-N 3.11Å; A174-P177 WeakPolarHBondContact O-CD 3.46Å
175L98.4Very high97.9Very high0 Ų041 Ų410%024%0.239CC..Hα-helixtrans-82.7-29.5177.8-74.3169.3000113.4L143 V146 K147 L158 V171 S172 A173 P177 E178 Y179 V181L143-L175 HydrophobicContact CD1-CD1 4.49Å; L143-L175 HydrophobicContact CD1-CD2 3.48Å; L143-L175 VanDerWaalsContact CD1-CD2 3.48Å; L143-L175 HydrophobicContact CD1-CG 3.58Å; V146-L175 HydrophobicContact CB-CD1 4.37Å; V146-L175 HydrophobicContact CB-CD2 4.31Å; V146-L175 HydrophobicContact CG1-CD1 3.9Å; V146-L175 HydrophobicContact CG1-CD2 3.87Å; K147-L175 HydrophobicContact CG-CD2 4.18Å; L158-L175 HydrophobicContact CD2-CD1 3.9Å; V171-L175 HydrophobicContact CG1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CG 4.27Å; V171-L175 WeakPolarHBondContact O-CG 3.3Å; V171-L175 PolarHBondContact O-N 3.33Å; S172-L175 PolarHBondContact O-N 3.06Å; A173-L175 VanDerWaalsContact C-N 3.35Å; L175-P177 VanDerWaalsContact C-N 3.3Å; L175-P177 WeakPolarHBondContact O-CD 3.47Å; L175-P177 VanDerWaalsContact O-N 3.1Å; L175-E178 PolarHBondContact O-N 2.87Å; L175-Y179 HydrophobicContact CB-CD2 4.09Å; L175-Y179 HydrophobicContact CD2-CD2 3.58Å; L175-Y179 HydrophobicContact CD2-CE2 3.61Å; L175-Y179 HydrophobicContact CD2-CG 4.49Å; L175-Y179 HydrophobicContact CG-CD2 4.44Å; L175-Y179 WeakPolarHBondContact O-CD2 3.3Å; L175-Y179 PolarHBondContact O-N 2.81Å; L175-V181 HydrophobicContact CB-CG2 3.6Å
176R98.2Very high97.9Very high126 Ų12640.8 Ų40.848%0.47524%0.239SC..THydrogen-bonded Turntrans-50.2-33.3-177.1-81.2174-170.6127.75.4116.6S172 E178 V181S172-R176 WeakPolarHBondContact O-CG 3.49Å; S172-R176 PolarHBondContact O-N 2.66Å; R176-E178 PolarHBondContact O-N 2.66Å; R176-V181 HydrophobicContact CG-CB 3.97Å; R176-V181 HydrophobicContact CG-CG2 4.22Å
177P98.1Very high97.7Very high112 Ų11245.5 Ų45.573%0.72725%0.245SC*.THydrogen-bonded Turntrans-65.6-25.6176.7-24.435.9000114.3A174 L175A174-P177 WeakPolarHBondContact O-CD 3.46Å; L175-P177 VanDerWaalsContact C-N 3.3Å; L175-P177 WeakPolarHBondContact O-CD 3.47Å; L175-P177 VanDerWaalsContact O-N 3.1Å
178E97.7Very high97.5Very high79 Ų7948 Ų4837%0.36926%0.26SS..THydrogen-bonded Turntrans-114.5-19.3-173.9-67.9175.9-118.500113.1K147 P152 G153 L175 R176K147-E178 IonicContact NZ-OE1 3.27Å; K147-E178 PolarHBondContact NZ-OE1 3.38Å; K147-E178 IonicContact NZ-OE2 3.57Å; P152-E178 CarbonylContact C-O 3.6Å; P152-E178 WeakPolarHBondContact CA-O 3.45Å; G153-E178 PolarHBondContact N-O 2.91Å; L175-E178 PolarHBondContact O-N 2.87Å; R176-E178 PolarHBondContact O-N 2.66Å
179Y98.6Very high97.4Very high11 Ų1148.2 Ų48.24%0.04326%0.261CS..SBendtrans-131.7152.4-173.8-59.1-91.9000111.8K147 F150 H151 L156 L175 V181K147-Y179 WeakPolarHBondContact CA-OH 3.17Å; K147-Y179 HydrophobicContact CG-CE2 4.11Å; F150-Y179 HydrophobicContact CB-CE1 3.9Å; F150-Y179 PolarHBondContact O-OH 3.05Å; F150-Y179 VanDerWaalsContact O-OH 3.07Å; H151-Y179 VanDerWaalsContact O-CE1 3.24Å; H151-Y179 WeakPolarHBondContact O-CE1 3.48Å; L156-Y179 HydrophobicContact CD1-CD1 3.55Å; L156-Y179 HydrophobicContact CD1-CE1 4.11Å; L156-Y179 HydrophobicContact CD1-CG 3.97Å; L156-Y179 HydrophobicContact CG-CD1 4.23Å; L175-Y179 HydrophobicContact CB-CD2 4.09Å; L175-Y179 HydrophobicContact CD2-CD2 3.58Å; L175-Y179 HydrophobicContact CD2-CE2 3.61Å; L175-Y179 HydrophobicContact CD2-CG 4.49Å; L175-Y179 HydrophobicContact CG-CD2 4.44Å; L175-Y179 WeakPolarHBondContact O-CD2 3.3Å; L175-Y179 PolarHBondContact O-N 2.81Å; Y179-V181 PolarHBondContact O-N 3.02Å; Y179-V181 VanDerWaalsContact O-N 3.13Å
180D98.1Very high97.2Very high71 Ų7147.2 Ų47.238%0.3826%0.261SS..EExtended strand (participates in β ladder)trans-81.986168.3172.732000109.9Q154 S155 L156 R204Q154-D180 PolarHBondContact O-N 3.31Å; S155-D180 CarbonylContact C-O 3.54Å; S155-D180 VanDerWaalsContact CA-O 3.23Å; S155-D180 WeakPolarHBondContact CA-O 3.43Å; S155-D180 WeakPolarHBondContact CB-OD2 3.22Å; S155-D180 PolarHBondContact OG-O 3.18Å; S155-D180 PolarHBondContact OG-OD2 3.45Å; L156-D180 PolarHBondContact N-O 3.25Å; D180-R204 IonicContact OD1-CZ 3.75Å; D180-R204 IonicContact OD1-NH1 2.71Å; D180-R204 PolarHBondContact OD1-NH1 3.14Å; D180-R204 IonicContact OD1-NH2 3Å; D180-R204 PolarHBondContact OD1-NH2 3.27Å; D180-R204 IonicContact OD2-CZ 2.68Å; D180-R204 IonicContact OD2-NH1 3.82Å; D180-R204 IonicContact OD2-NH2 2.95Å; D180-R204 PolarHBondContact OD2-NH2 3.31Å
181V98.3Very high97.2Very high18 Ų1847.5 Ų47.511%0.10926%0.258CS..EExtended strand (participates in β ladder)trans-85.5120-173.4178.90000112L158 L175 R176 Y179 V183L158-V181 HydrophobicContact CD1-CG1 3.79Å; L175-V181 HydrophobicContact CB-CG2 3.6Å; R176-V181 HydrophobicContact CG-CB 3.97Å; R176-V181 HydrophobicContact CG-CG2 4.22Å; Y179-V181 PolarHBondContact O-N 3.02Å; Y179-V181 VanDerWaalsContact O-N 3.13Å; V181-V183 HydrophobicContact CG1-CG2 4.07Å
182L98.3Very high97.1Very high32 Ų3247.3 Ų47.317%0.16826%0.258CS..EExtended strand (participates in β ladder)trans-101.1127.9168.4-178.962.4000110.4L156 A157 L158 P184 L202 R204 V206L156-L182 PolarHBondContact O-N 2.89Å; A157-L182 CarbonylContact C-O 3.55Å; A157-L182 VanDerWaalsContact CA-O 3.29Å; A157-L182 WeakPolarHBondContact CA-O 3.45Å; A157-L182 HydrophobicContact CB-CB 4.45Å; A157-L182 HydrophobicContact CB-CD2 4.49Å; L158-L182 PolarHBondContact N-O 2.84Å; L182-P184 HydrophobicContact CG-CB 4.47Å; L182-L202 HydrophobicContact CD2-CD2 4.03Å; L182-R204 HydrophobicContact CD2-CG 4.33Å; L182-V206 HydrophobicContact CD2-CG2 3.93Å
183V98.3Very high97.1Very high26 Ų2647.4 Ų47.416%0.15826%0.258CS..  trans-117.790.4169.2-175.10000107.4L158 L168 S172 V181 P191 G192L158-V183 HydrophobicContact CB-CG2 4.4Å; L168-V183 HydrophobicContact CD2-CG1 4.36Å; S172-V183 VanDerWaalsContact OG-CG2 3.31Å; S172-V183 WeakPolarHBondContact OG-CG2 3.45Å; V181-V183 HydrophobicContact CG1-CG2 4.07Å; V183-P191 HydrophobicContact CG1-CB 4.28Å; V183-G192 VanDerWaalsContact CG1-CA 3.47Å
184P97.3Very high97.1Very high14 Ų1445.1 Ų45.19%0.09124%0.239CC..  trans-73.1158.6-169.332.9-37.1000111.5V159 L182 G192 P200 L202V159-P184 HydrophobicContact CG1-CG 3.54Å; L182-P184 HydrophobicContact CG-CB 4.47Å; P184-G192 WeakPolarHBondContact O-CA 3.47Å; P184-G192 PolarHBondContact O-N 3Å; P184-P200 HydrophobicContact CB-CB 4.08Å; P184-P200 HydrophobicContact CB-CG 3.72Å; P184-P200 HydrophobicContact CG-CG 3.75Å; P184-L202 HydrophobicContact CB-CD2 3.75Å; P184-L202 HydrophobicContact CG-CD2 3.89Å
185Q95.9Very high97.1Very high84 Ų8444.1 Ų44.139%0.39323%0.227SC..  trans-134123.6178.4-172.3-176.524.600110.8R187 L189 P191Q185-R187 HydrophobicContact CG-CG 4.31Å; Q185-L189 VanDerWaalsContact CG-O 3.26Å; Q185-L189 WeakPolarHBondContact CG-O 3.21Å; Q185-L189 PolarHBondContact NE2-O 3.35Å; Q185-P191 HydrophobicContact CB-CB 4.45Å; Q185-P191 HydrophobicContact CG-CG 4.36Å
186C94.9Very high97Very high13 Ų1344.2 Ų44.29%0.08823%0.228CC..  trans-103.9101.9166.7-1690000109L189 T198 P200C186-L189 WeakPolarHBondContact O-CB 3.49Å; C186-L189 WeakPolarHBondContact O-CG 3.44Å; C186-L189 PolarHBondContact O-N 2.77Å; C186-T198 HydrophobicContact CB-CG2 4.23Å; C186-T198 VanDerWaalsContact SG-CG2 3.5Å; C186-P200 HydrophobicContact CB-CB 4.32Å
187R94.2Very high96.9Very high155 Ų15538.9 Ų38.959%0.58521%0.21SC*.THydrogen-bonded Turntrans-64.6139.4-176-68.9-176.8-175.3141.91.8110.9Q185 S365 N366Q185-R187 HydrophobicContact CG-CG 4.31Å; R187-S365 WeakPolarHBondContact O-CA 3.47Å; R187-N366 HydrophobicContact CB-CB 4.37Å; R187-N366 PolarHBondContact O-N 3.02Å
188P93.1Very high96.8Very high62 Ų6233.6 Ų33.640%0.40318%0.176SC..THydrogen-bonded Turncis-905.816.436.1-37.5000116.1L117 Y364L117-P188 HydrophobicContact CD1-CG 3.96Å; P188-Y364 WeakPolarHBondContact CD-O 3.38Å
189L95.3Very high96.8Very high4 Ų430.1 Ų30.12%0.02116%0.16CC..SBendtrans-65.1159.1-178.1-50.4177.3000112.3L117 Q185 C186 E193 L195 T198L117-L189 HydrophobicContact CD1-CD2 4.31Å; Q185-L189 VanDerWaalsContact CG-O 3.26Å; Q185-L189 WeakPolarHBondContact CG-O 3.21Å; Q185-L189 PolarHBondContact NE2-O 3.35Å; C186-L189 WeakPolarHBondContact O-CB 3.49Å; C186-L189 WeakPolarHBondContact O-CG 3.44Å; C186-L189 PolarHBondContact O-N 2.77Å; L189-E193 HydrophobicContact CB-CB 4.14Å; L189-E193 HydrophobicContact CB-CG 4.25Å; L189-L195 HydrophobicContact CD1-CB 4.47Å; L189-L195 HydrophobicContact CD1-CD1 4.25Å; L189-L195 HydrophobicContact CD1-CG 3.77Å; L189-L195 HydrophobicContact CD2-CD1 3.72Å; L189-L195 HydrophobicContact CD2-CD2 4.4Å; L189-L195 HydrophobicContact CD2-CG 3.86Å; L189-L195 HydrophobicContact CG-CG 4.48Å; L189-T198 HydrophobicContact CD1-CG2 4.14Å
190S95.4Very high96.7Very high38 Ų3830.2 Ų30.227%0.26616%0.162SC..PPolyproline II helixtrans-67.9156.5175.9-49.60000111.2G192 E193S190-G192 PolarHBondContact O-N 2.69Å; S190-E193 VanDerWaalsContact CB-OE2 3.31Å; S190-E193 WeakPolarHBondContact CB-OE2 3.24Å; S190-E193 PolarHBondContact N-OE2 3.48Å; S190-E193 VanDerWaalsContact O-CB 3.28Å; S190-E193 WeakPolarHBondContact O-CB 3.43Å; S190-E193 PolarHBondContact O-N 2.9Å; S190-E193 PolarHBondContact OG-OE2 2.89Å
191P97.3Very high96.6Very high55 Ų5532.9 Ų32.936%0.35717%0.167SC..THydrogen-bonded Turntrans-57.3127.7172.5-23.834.6000111.7Q169 V183 Q185 E193Q169-P191 PolarHBondContact NE2-O 3.27Å; V183-P191 HydrophobicContact CG1-CB 4.28Å; Q185-P191 HydrophobicContact CB-CB 4.45Å; Q185-P191 HydrophobicContact CG-CG 4.36Å; P191-E193 PolarHBondContact O-N 3.4Å
192G97.5Very high96.4Very high0 Ų032.8 Ų32.80%017%0.166CC..THydrogen-bonded Turntrans82.6-9-176.100000114.1V159 S160 V183 P184 S190V159-G192 CarbonylContact C-O 3.26Å; V159-G192 VanDerWaalsContact CA-O 3.22Å; V159-G192 WeakPolarHBondContact CA-O 3.26Å; S160-G192 PolarHBondContact N-O 3.5Å; V183-G192 VanDerWaalsContact CG1-CA 3.47Å; P184-G192 WeakPolarHBondContact O-CA 3.47Å; P184-G192 PolarHBondContact O-N 3Å; S190-G192 PolarHBondContact O-N 2.69Å
193E97.9Very high96Very high2 Ų238.6 Ų38.61%0.00920%0.197CC..BIsolated β-bridgetrans-82.3132.3177.5-174.3-171.7177.700111S115 S160 I162 V165 L189 S190 P191S115-E193 WeakPolarHBondContact CB-OE1 3.48Å; S115-E193 PolarHBondContact OG-OE1 3.3Å; S160-E193 CarbonylContact O-C 3.44Å; S160-E193 WeakPolarHBondContact O-CA 3.24Å; I162-E193 HydrophobicContact CB-CG 4.45Å; V165-E193 HydrophobicContact CG2-CB 4.06Å; L189-E193 HydrophobicContact CB-CB 4.14Å; L189-E193 HydrophobicContact CB-CG 4.25Å; S190-E193 VanDerWaalsContact CB-OE2 3.31Å; S190-E193 WeakPolarHBondContact CB-OE2 3.24Å; S190-E193 PolarHBondContact N-OE2 3.48Å; S190-E193 VanDerWaalsContact O-CB 3.28Å; S190-E193 WeakPolarHBondContact O-CB 3.43Å; S190-E193 PolarHBondContact O-N 2.9Å; S190-E193 PolarHBondContact OG-OE2 2.89Å; P191-E193 PolarHBondContact O-N 3.4Å
194I97.9Very high95.7Very high1 Ų142 Ų421%0.00521%0.207CC..  trans-127.9152.5172.460172.3000111.5V159 S160 S199 P200 Y211 H218 I222V159-I194 HydrophobicContact CB-CD1 4.19Å; V159-I194 HydrophobicContact CB-CG1 4.43Å; V159-I194 HydrophobicContact CB-CG2 4.17Å; V159-I194 HydrophobicContact CG1-CG2 4.15Å; V159-I194 HydrophobicContact CG2-CD1 3.92Å; S160-I194 PolarHBondContact O-N 3Å; I194-S199 WeakPolarHBondContact CB-OG 3.43Å; I194-S199 WeakPolarHBondContact CG2-OG 3.43Å; I194-P200 HydrophobicContact CG2-CG 4.47Å; I194-Y211 HydrophobicContact CD1-CD2 4.05Å; I194-Y211 HydrophobicContact CD1-CE2 4.32Å; I194-H218 HydrophobicContact CD1-CB 4.4Å; I194-H218 VanDerWaalsContact CD1-O 3.3Å; I194-H218 WeakPolarHBondContact CD1-O 3.23Å; I194-H218 HydrophobicContact CG1-CB 4.35Å; I194-I222 HydrophobicContact CD1-CB 4.05Å; I194-I222 HydrophobicContact CD1-CG2 3.84Å
195L97.3Very high95.6Very high23 Ų2348.2 Ų48.212%0.1224%0.235CC..  trans-113163.2173.1-61.1-177.7000110.3L117 L189 C197 T198 S221L117-L195 HydrophobicContact CD1-CD1 4.49Å; L117-L195 HydrophobicContact CD2-CD1 4.03Å; L189-L195 HydrophobicContact CD1-CB 4.47Å; L189-L195 HydrophobicContact CD1-CD1 4.25Å; L189-L195 HydrophobicContact CD1-CG 3.77Å; L189-L195 HydrophobicContact CD2-CD1 3.72Å; L189-L195 HydrophobicContact CD2-CD2 4.4Å; L189-L195 HydrophobicContact CD2-CG 3.86Å; L189-L195 HydrophobicContact CG-CG 4.48Å; L195-C197 PolarHBondContact O-N 3.22Å; L195-T198 PolarHBondContact N-O 3.03Å; L195-T198 PolarHBondContact O-N 3.48Å; L195-S221 VanDerWaalsContact O-CB 3.27Å; L195-S221 WeakPolarHBondContact O-CB 3.37Å; L195-S221 PolarHBondContact O-OG 2.69Å
196G96.8Very high95.7Very high3 Ų344.6 Ų44.63%0.03122%0.218CC..SBendtrans-62.6-21.9173.500000113.9F217 H218 S221 R327 M361G196-F217 VanDerWaalsContact CA-CE1 3.45Å; G196-H218 PolarHBondContact N-CD2 3.14Å; G196-H218 VanDerWaalsContact N-CD2 3.26Å; G196-S221 WeakPolarHBondContact O-CB 3.38Å; G196-R327 VanDerWaalsContact O-CD 3.29Å; G196-R327 WeakPolarHBondContact O-CD 3.2Å; G196-R327 WeakPolarHBondContact O-CG 3.34Å; G196-M361 WeakPolarHBondContact O-CE 3.3Å
197C96.1Very high95.8Very high14 Ų1446.6 Ų46.610%0.09523%0.228CC..SBendtrans-111.4-5.5-179.157.30000114.5L195 P326 M361 F363L195-C197 PolarHBondContact O-N 3.22Å; C197-P326 HydrophobicContact CB-CB 4.36Å; C197-P326 HydrophobicContact CB-CG 3.86Å; C197-M361 CarbonylContact O-C 3.56Å; C197-F363 HydrophobicContact CB-CB 4.18Å; C197-F363 WeakPolarHBondContact O-CB 3.34Å; C197-F363 PolarHBondContact O-N 3.41Å
198T97.2Very high96.1Very high0 Ų039.3 Ų39.30%020%0.201CC..BIsolated β-bridgetrans-144.2113.7-175.5-54.20000110C186 L189 L195 M361 Y364C186-T198 HydrophobicContact CB-CG2 4.23Å; C186-T198 VanDerWaalsContact SG-CG2 3.5Å; L189-T198 HydrophobicContact CD1-CG2 4.14Å; L195-T198 PolarHBondContact N-O 3.03Å; L195-T198 PolarHBondContact O-N 3.48Å; T198-M361 CarbonylContact C-O 3.4Å; T198-M361 WeakPolarHBondContact CA-O 3.22Å; T198-Y364 WeakPolarHBondContact OG1-CB 3.18Å; T198-Y364 PolarHBondContact OG1-N 2.8Å
199S97.3Very high96.3Very high7 Ų736.3 Ų36.35%0.04918%0.181CC..  trans-144146.3-179.9-98.40000111.3I194 S221 I222 M361I194-S199 WeakPolarHBondContact CB-OG 3.43Å; I194-S199 WeakPolarHBondContact CG2-OG 3.43Å; S199-S221 WeakPolarHBondContact CB-OG 3.26Å; S199-S221 PolarHBondContact OG-OG 3.3Å; S199-I222 PolarHBondContact OG-N 3.45Å; S199-M361 PolarHBondContact N-O 2.77Å
200P96.1Very high96.5Very high12 Ų1236.1 Ų36.18%0.07818%0.18CC..PPolyproline II helixtrans-73.6141.8-178.930.4-33.7000111.7P184 C186 I194 L202 I222 N226P184-P200 HydrophobicContact CB-CB 4.08Å; P184-P200 HydrophobicContact CB-CG 3.72Å; P184-P200 HydrophobicContact CG-CG 3.75Å; C186-P200 HydrophobicContact CB-CB 4.32Å; I194-P200 HydrophobicContact CG2-CG 4.47Å; P200-L202 HydrophobicContact CG-CD2 4.4Å; P200-I222 HydrophobicContact CG-CD1 4.23Å; P200-N226 PolarHBondContact O-ND2 3.03Å
201R95.4Very high96.7Very high128 Ų12834.4 Ų34.448%0.48317%0.168SC..PPolyproline II helixtrans-77.3131.2156.6-17766.2-179.9-175.1-0.2108.1A225 P227 V358R201-A225 WeakPolarHBondContact CD-O 3.35Å; R201-A225 PolarHBondContact NH1-O 2.85Å; R201-P227 VanDerWaalsContact NH1-CD 3.32Å; R201-V358 VanDerWaalsContact NH1-CG2 3.32Å
202L96.1Very high96.7Very high15 Ų1531.8 Ų31.88%0.07915%0.151CC..PPolyproline II helixtrans-84.9119.7176.2-53.1-174.7000108.5A157 L182 P184 P200 V206 I209 N226 I229A157-L202 HydrophobicContact CB-CD1 3.67Å; L182-L202 HydrophobicContact CD2-CD2 4.03Å; P184-L202 HydrophobicContact CB-CD2 3.75Å; P184-L202 HydrophobicContact CG-CD2 3.89Å; P200-L202 HydrophobicContact CG-CD2 4.4Å; L202-V206 HydrophobicContact CD1-CB 4.35Å; L202-V206 HydrophobicContact CD1-CG2 4.1Å; L202-I209 HydrophobicContact CD1-CD1 4.19Å; L202-I209 HydrophobicContact CD1-CG1 3.97Å; L202-N226 PolarHBondContact N-OD1 3.22Å; L202-I229 HydrophobicContact CB-CD1 4.28Å; L202-I229 HydrophobicContact CD1-CD1 3.88Å; L202-I229 HydrophobicContact CG-CD1 4.48Å
203D88.9Confident96.7Very high155 Ų15531.8 Ų31.883%0.82915%0.151SC*.  trans-89.4-3.8-173.561.2-16000113.5
204R92.6Very high96.5Very high97 Ų9735.5 Ų35.537%0.36617%0.171SC..SBendtrans-129.4162.5176.670.2177-145.7172.54.1111S155 D180 L182 V206S155-R204 PolarHBondContact OG-NH2 3.43Å; D180-R204 IonicContact OD1-CZ 3.75Å; D180-R204 IonicContact OD1-NH1 2.71Å; D180-R204 PolarHBondContact OD1-NH1 3.14Å; D180-R204 IonicContact OD1-NH2 3Å; D180-R204 PolarHBondContact OD1-NH2 3.27Å; D180-R204 IonicContact OD2-CZ 2.68Å; D180-R204 IonicContact OD2-NH1 3.82Å; D180-R204 IonicContact OD2-NH2 2.95Å; D180-R204 PolarHBondContact OD2-NH2 3.31Å; L182-R204 HydrophobicContact CD2-CG 4.33Å; R204-V206 HydrophobicContact CG-CG2 4.43Å; R204-V206 PolarHBondContact O-N 2.85Å
205H94.5Very high96.3Very high145 Ų14537.1 Ų37.167%0.67119%0.188SC*.  trans-60.3134173.8-178.8-88.8000111.1S155 D207S155-H205 PolarHBondContact OG-O 2.99Å; H205-D207 IonicContact CE1-OD1 2.84Å; H205-D207 PolarHBondContact CE1-OD1 2.93Å
206V97.6Very high96.2Very high7 Ų740.7 Ų40.74%0.04220%0.2CC..  trans-140.8132.4175.5175.40000107.4S155 A157 L182 L202 R204 A208 I229S155-V206 WeakPolarHBondContact O-CG1 3.5Å; A157-V206 HydrophobicContact CB-CG1 3.69Å; A157-V206 HydrophobicContact CB-CG2 4.4Å; L182-V206 HydrophobicContact CD2-CG2 3.93Å; L202-V206 HydrophobicContact CD1-CB 4.35Å; L202-V206 HydrophobicContact CD1-CG2 4.1Å; R204-V206 HydrophobicContact CG-CG2 4.43Å; R204-V206 PolarHBondContact O-N 2.85Å; V206-A208 WeakPolarHBondContact CG1-O 3.43Å; V206-I229 HydrophobicContact CB-CD1 4.45Å
207D98.5Very high96.2Very high56 Ų5644.6 Ų44.630%0.29922%0.216SC..SBendtrans-74.5-34.5-178.8-65.1-64.4000112.4Q154 S155 H205 P230Q154-D207 WeakPolarHBondContact CA-OD2 3.3Å; Q154-D207 HydrophobicContact CB-CB 4.38Å; S155-D207 PolarHBondContact N-OD2 3.42Å; S155-D207 WeakPolarHBondContact O-CB 3.22Å; S155-D207 PolarHBondContact O-N 3Å; H205-D207 IonicContact CE1-OD1 2.84Å; H205-D207 PolarHBondContact CE1-OD1 2.93Å; D207-P230 WeakPolarHBondContact O-CD 3.14Å
208A98.7Very high96.3Very high1 Ų146.4 Ų46.41%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-153.2144.2178.100000113.5F150 S155 L156 A157 V206 P230 Y232F150-A208 HydrophobicContact CD1-CB 4.38Å; F150-A208 HydrophobicContact CE1-CB 3.47Å; F150-A208 VanDerWaalsContact CE1-CB 3.47Å; F150-A208 HydrophobicContact CZ-CB 3.84Å; S155-A208 PolarHBondContact O-N 3.38Å; L156-A208 HydrophobicContact CD2-CB 4.04Å; A157-A208 PolarHBondContact N-O 2.82Å; V206-A208 WeakPolarHBondContact CG1-O 3.43Å; A208-P230 CarbonylContact C-O 3.59Å; A208-P230 VanDerWaalsContact CA-O 3.3Å; A208-P230 WeakPolarHBondContact CA-O 3.37Å; A208-Y232 HydrophobicContact CB-CD2 3.95Å; A208-Y232 HydrophobicContact CB-CE2 3.8Å
209I98.9Very high96.4Very high0 Ų046.4 Ų46.40%022%0.223CC..EExtended strand (participates in β ladder)trans-91.9128.3163.6-67.6158.6000108A157 V159 L202 I222 N226 I229 P230 A231 Y232A157-I209 HydrophobicContact CB-CG1 4.18Å; A157-I209 CarbonylContact O-C 3.41Å; A157-I209 WeakPolarHBondContact O-CA 3.19Å; V159-I209 HydrophobicContact CG2-CG2 4Å; L202-I209 HydrophobicContact CD1-CD1 4.19Å; L202-I209 HydrophobicContact CD1-CG1 3.97Å; I209-I222 HydrophobicContact CD1-CD1 4.4Å; I209-I222 HydrophobicContact CD1-CG1 4.15Å; I209-I222 HydrophobicContact CG2-CD1 4.17Å; I209-I222 HydrophobicContact CG2-CG2 3.97Å; I209-N226 HydrophobicContact CD1-CB 3.92Å; I209-I229 HydrophobicContact CD1-CB 3.88Å; I209-I229 HydrophobicContact CD1-CD1 4.41Å; I209-I229 HydrophobicContact CD1-CG2 3.88Å; I209-I229 HydrophobicContact CG1-CB 4.39Å; I209-I229 HydrophobicContact CG1-CG2 3.82Å; I209-P230 PolarHBondContact N-O 3.18Å; I209-A231 HydrophobicContact CB-CB 4.3Å; I209-A231 CarbonylContact O-C 3.47Å; I209-A231 WeakPolarHBondContact O-CA 3.48Å; I209-Y232 PolarHBondContact O-N 2.77Å
210I98.9Very high96.4Very high0 Ų047.3 Ų47.30%023%0.227CC..EExtended strand (participates in β ladder)trans-117.1108.8175.4-57.9175.4000107.4F142 V146 F150 L156 A157 V159 F241F142-I210 HydrophobicContact CE2-CG2 3.86Å; F142-I210 HydrophobicContact CZ-CG2 3.79Å; V146-I210 HydrophobicContact CG1-CD1 3.97Å; V146-I210 HydrophobicContact CG2-CD1 4.08Å; F150-I210 HydrophobicContact CD2-CD1 4.06Å; F150-I210 HydrophobicContact CE2-CD1 3.59Å; F150-I210 HydrophobicContact CE2-CG1 4.19Å; F150-I210 HydrophobicContact CZ-CD1 4.11Å; F150-I210 HydrophobicContact CZ-CG1 4.31Å; L156-I210 HydrophobicContact CB-CD1 4.41Å; L156-I210 HydrophobicContact CD1-CD1 4.05Å; L156-I210 HydrophobicContact CD2-CD1 4.33Å; A157-I210 PolarHBondContact O-N 2.76Å; V159-I210 PolarHBondContact N-O 2.84Å; I210-F241 HydrophobicContact CG2-CE2 4.12Å
211Y98.9Very high96.5Very high1 Ų146.7 Ų46.70%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-91.2127.1172.5171.6-105.5000110.2V159 T161 I194 D214 H218 L219 Y232 R233 Y234V159-Y211 HydrophobicContact CG2-CD2 4.31Å; V159-Y211 CarbonylContact O-C 3.56Å; V159-Y211 WeakPolarHBondContact O-CA 3.35Å; T161-Y211 HydrophobicContact CG2-CE2 4.24Å; T161-Y211 WeakPolarHBondContact CG2-OH 3.43Å; I194-Y211 HydrophobicContact CD1-CD2 4.05Å; I194-Y211 HydrophobicContact CD1-CE2 4.32Å; Y211-D214 PolarHBondContact OH-O 2.66Å; Y211-H218 HydrophobicContact CE2-CB 3.8Å; Y211-L219 HydrophobicContact CD1-CB 3.7Å; Y211-L219 HydrophobicContact CD1-CD2 4.33Å; Y211-L219 HydrophobicContact CD1-CG 4.46Å; Y211-L219 HydrophobicContact CD2-CB 4.42Å; Y211-L219 HydrophobicContact CE1-CB 4.16Å; Y211-L219 HydrophobicContact CG-CB 3.84Å; Y211-L219 HydrophobicContact CG-CD1 4.34Å; Y211-Y232 PolarHBondContact N-O 3.02Å; Y211-R233 HydrophobicContact CD1-CG 3.98Å; Y211-R233 HydrophobicContact CE1-CG 4.48Å; Y211-R233 WeakPolarHBondContact O-CA 3.22Å; Y211-Y234 PolarHBondContact O-N 3.14Å
212L98.8Very high96.7Very high0 Ų040.6 Ų40.60%020%0.2CC..EExtended strand (participates in β ladder)trans-98.6113.1173.5173.456.5000109.3M137 F142 V159 S160 F164 L168 Y234M137-L212 HydrophobicContact CE-CD1 3.57Å; M137-L212 HydrophobicContact CE-CD2 3.28Å; M137-L212 HydrophobicContact CE-CG 3.68Å; M137-L212 HydrophobicContact SD-CD1 3.73Å; M137-L212 HydrophobicContact SD-CD2 4.36Å; M137-L212 HydrophobicContact SD-CG 4.48Å; F142-L212 HydrophobicContact CD1-CD1 4.09Å; F142-L212 HydrophobicContact CD1-CD2 4.14Å; F142-L212 HydrophobicContact CE1-CB 4.23Å; F142-L212 HydrophobicContact CE1-CD1 4.04Å; F142-L212 HydrophobicContact CE1-CD2 3.79Å; F142-L212 HydrophobicContact CE1-CG 4.26Å; F142-L212 HydrophobicContact CG-CD1 4.49Å; F142-L212 HydrophobicContact CZ-CB 4.27Å; F142-L212 HydrophobicContact CZ-CD1 4.37Å; V159-L212 PolarHBondContact O-N 2.74Å; S160-L212 WeakPolarHBondContact CA-O 3.41Å; S160-L212 PolarHBondContact OG-O 3.3Å; S160-L212 VanDerWaalsContact OG-O 3.06Å; F164-L212 HydrophobicContact CB-CD2 4.07Å; F164-L212 HydrophobicContact CB-CG 4.07Å; L168-L212 HydrophobicContact CB-CD2 3.96Å; L168-L212 HydrophobicContact CD1-CB 3.88Å; L168-L212 HydrophobicContact CD1-CD2 3.88Å; L212-Y234 HydrophobicContact CD1-CD1 3.53Å; L212-Y234 HydrophobicContact CD1-CE1 4.17Å
213G97.4Very high96.8Very high0 Ų040.3 Ų40.30%020%0.198CC..SBendtrans151167.9179.200000112.4Y234G213-Y234 PolarHBondContact N-O 3.1Å; G213-Y234 VanDerWaalsContact O-O 3.13Å
214D92.6Very high97.2Very high80 Ų8033 Ų3343%0.42816%0.159SC..SBendtrans-83.1169.5171.374.5-45.3000111.3Y211 Y237Y211-D214 PolarHBondContact OH-O 2.66Å; D214-Y237 HydrophobicContact CB-CD2 4.08Å; D214-Y237 HydrophobicContact CB-CE2 4.18Å
215G93.9Very high97.5Very high36 Ų3628.7 Ų28.737%0.37114%0.144SC..SBendtrans64.2178.1178.800000114.5R233G215-R233 WeakPolarHBondContact O-CD 3.37Å
216R96.1Very high97.6Very high98 Ų9821.9 Ų21.937%0.3711%0.112SC..SBendtrans-115-16.5-178.9-75.8176.647.2152.23.7114H218 L219 E220 E244 Y245R216-H218 PolarHBondContact O-N 3.38Å; R216-L219 PolarHBondContact O-N 3.27Å; R216-E220 HydrophobicContact CB-CG 4.21Å; R216-E220 IonicContact CZ-OE1 2.71Å; R216-E220 IonicContact NE-OE1 2.64Å; R216-E220 PolarHBondContact NE-OE1 3.16Å; R216-E220 IonicContact NH2-OE1 3.8Å; R216-E220 PolarHBondContact NH2-OE1 3.24Å; R216-E220 WeakPolarHBondContact O-CB 3.29Å; R216-E220 WeakPolarHBondContact O-CG 3.4Å; R216-E220 PolarHBondContact O-N 3.19Å; R216-E244 IonicContact CZ-OE2 3.96Å; R216-E244 IonicContact NE-OE2 2.93Å; R216-E244 IonicContact NH1-OE2 2.66Å; R216-Y245 PolarHBondContact NH2-O 3.4Å; R216-Y245 VanDerWaalsContact NH2-O 3.13Å
217F96.6Very high97.6Very high84 Ų8423.2 Ų23.237%0.36812%0.122SC..Hα-helixtrans-52.9-51.3-173.2-178.3-101.1000112.8G196 R327G196-F217 VanDerWaalsContact CA-CE1 3.45Å; F217-R327 HydrophobicContact CE2-CB 3.68Å; F217-R327 HydrophobicContact CE2-CG 3.58Å; F217-R327 HydrophobicContact CZ-CB 3.95Å; F217-R327 HydrophobicContact CZ-CG 3.62Å; F217-R327 PolarHBondContact O-NH1 2.88Å
218H97.5Very high97.5Very high52 Ų5227 Ų2724%0.24114%0.142CC..Hα-helixtrans-71.7-43.8179-64102.6000112.6T161 I194 G196 Y211 R216 E220 S221T161-H218 HydrophobicContact CG2-CB 3.94Å; T161-H218 VanDerWaalsContact CG2-CG 3.45Å; T161-H218 VanDerWaalsContact CG2-ND1 3.32Å; T161-H218 WeakPolarHBondContact CG2-ND1 3.19Å; I194-H218 HydrophobicContact CD1-CB 4.4Å; I194-H218 VanDerWaalsContact CD1-O 3.3Å; I194-H218 WeakPolarHBondContact CD1-O 3.23Å; I194-H218 HydrophobicContact CG1-CB 4.35Å; G196-H218 PolarHBondContact N-CD2 3.14Å; G196-H218 VanDerWaalsContact N-CD2 3.26Å; Y211-H218 HydrophobicContact CE2-CB 3.8Å; R216-H218 PolarHBondContact O-N 3.38Å; H218-E220 VanDerWaalsContact C-N 3.28Å; H218-E220 PolarHBondContact O-N 3.26Å; H218-S221 PolarHBondContact O-N 2.75Å; H218-S221 VanDerWaalsContact O-N 3.1Å; H218-S221 PolarHBondContact O-OG 2.87Å
219L98.5Very high97.5Very high1 Ų128.6 Ų28.61%0.00515%0.15CC..Hα-helixtrans-55.8-43.3176169.156.7000112.3Y211 R216 S221 I222 M223 A231 R233 E244Y211-L219 HydrophobicContact CD1-CB 3.7Å; Y211-L219 HydrophobicContact CD1-CD2 4.33Å; Y211-L219 HydrophobicContact CD1-CG 4.46Å; Y211-L219 HydrophobicContact CD2-CB 4.42Å; Y211-L219 HydrophobicContact CE1-CB 4.16Å; Y211-L219 HydrophobicContact CG-CB 3.84Å; Y211-L219 HydrophobicContact CG-CD1 4.34Å; R216-L219 PolarHBondContact O-N 3.27Å; L219-S221 PolarHBondContact O-N 3.31Å; L219-I222 HydrophobicContact CD1-CG2 4.16Å; L219-I222 WeakPolarHBondContact O-CG2 3.35Å; L219-I222 PolarHBondContact O-N 2.9Å; L219-M223 HydrophobicContact CD1-CG 3.89Å; L219-M223 HydrophobicContact CD1-SD 3.93Å; L219-M223 HydrophobicContact CD2-SD 4.27Å; L219-M223 HydrophobicContact CG-CG 4.22Å; L219-M223 HydrophobicContact CG-SD 3.67Å; L219-M223 VanDerWaalsContact O-CG 3.31Å; L219-M223 WeakPolarHBondContact O-CG 3.47Å; L219-M223 PolarHBondContact O-N 3.08Å; L219-A231 HydrophobicContact CD1-CB 4.04Å; L219-R233 HydrophobicContact CD2-CB 3.85Å; L219-R233 HydrophobicContact CD2-CG 4.5Å; L219-E244 HydrophobicContact CD2-CB 3.73Å; L219-E244 HydrophobicContact CD2-CG 3.58Å
220E98.3Very high97.5Very high25 Ų2530.6 Ų30.612%0.11716%0.163CC..Hα-helixtrans-61.1-30.4-179.9-73.9175.2167.500112.3R216 H218 M223 I224 Y246 R327R216-E220 HydrophobicContact CB-CG 4.21Å; R216-E220 IonicContact CZ-OE1 2.71Å; R216-E220 IonicContact NE-OE1 2.64Å; R216-E220 PolarHBondContact NE-OE1 3.16Å; R216-E220 IonicContact NH2-OE1 3.8Å; R216-E220 PolarHBondContact NH2-OE1 3.24Å; R216-E220 WeakPolarHBondContact O-CB 3.29Å; R216-E220 WeakPolarHBondContact O-CG 3.4Å; R216-E220 PolarHBondContact O-N 3.19Å; H218-E220 VanDerWaalsContact C-N 3.28Å; H218-E220 PolarHBondContact O-N 3.26Å; E220-M223 HydrophobicContact CG-SD 4.5Å; E220-M223 PolarHBondContact O-N 3.15Å; E220-I224 WeakPolarHBondContact O-CB 3.4Å; E220-I224 WeakPolarHBondContact O-CD1 3.34Å; E220-I224 WeakPolarHBondContact O-CG1 3.37Å; E220-I224 PolarHBondContact O-N 3.17Å; E220-Y246 HydrophobicContact CB-CD2 4.08Å; E220-Y246 HydrophobicContact CB-CE2 3.99Å; E220-Y246 HydrophobicContact CG-CD2 3.66Å; E220-Y246 HydrophobicContact CG-CE2 3.87Å; E220-R327 IonicContact OE2-NH2 2.7Å; E220-R327 PolarHBondContact OE2-NH2 3.16Å
221S98.2Very high97.5Very high0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-66.6-40.9178.177.10000112L195 G196 S199 H218 L219 I224 A225 M361L195-S221 VanDerWaalsContact O-CB 3.27Å; L195-S221 WeakPolarHBondContact O-CB 3.37Å; L195-S221 PolarHBondContact O-OG 2.69Å; G196-S221 WeakPolarHBondContact O-CB 3.38Å; S199-S221 WeakPolarHBondContact CB-OG 3.26Å; S199-S221 PolarHBondContact OG-OG 3.3Å; H218-S221 PolarHBondContact O-N 2.75Å; H218-S221 VanDerWaalsContact O-N 3.1Å; H218-S221 PolarHBondContact O-OG 2.87Å; L219-S221 PolarHBondContact O-N 3.31Å; S221-I224 PolarHBondContact O-N 3.17Å; S221-A225 WeakPolarHBondContact O-CB 3.41Å; S221-A225 PolarHBondContact O-N 2.98Å; S221-M361 WeakPolarHBondContact O-CG 3.25Å
222I98.5Very high97.5Very high0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-74.2-30.7175.9-166.2167.7000112V159 I194 S199 P200 I209 L219 A225 N226V159-I222 HydrophobicContact CB-CD1 4.34Å; V159-I222 HydrophobicContact CG1-CD1 3.67Å; V159-I222 HydrophobicContact CG2-CD1 3.92Å; V159-I222 HydrophobicContact CG2-CG2 4.23Å; I194-I222 HydrophobicContact CD1-CB 4.05Å; I194-I222 HydrophobicContact CD1-CG2 3.84Å; S199-I222 PolarHBondContact OG-N 3.45Å; P200-I222 HydrophobicContact CG-CD1 4.23Å; I209-I222 HydrophobicContact CD1-CD1 4.4Å; I209-I222 HydrophobicContact CD1-CG1 4.15Å; I209-I222 HydrophobicContact CG2-CD1 4.17Å; I209-I222 HydrophobicContact CG2-CG2 3.97Å; L219-I222 HydrophobicContact CD1-CG2 4.16Å; L219-I222 WeakPolarHBondContact O-CG2 3.35Å; L219-I222 PolarHBondContact O-N 2.9Å; I222-A225 CarbonylContact O-C 3.5Å; I222-A225 PolarHBondContact O-N 3.38Å; I222-N226 WeakPolarHBondContact CG1-ND2 3.2Å; I222-N226 WeakPolarHBondContact O-CB 3.47Å; I222-N226 PolarHBondContact O-N 2.99Å; I222-N226 PolarHBondContact O-ND2 3.23Å
223M98.6Very high97.5Very high8 Ų834.6 Ų34.64%0.03918%0.178CC..Hα-helixtrans-63.6-46.5171.6-64.9171.180.100110.8L219 E220 A225 N226 P227 A231 E244 Y245 H248L219-M223 HydrophobicContact CD1-CG 3.89Å; L219-M223 HydrophobicContact CD1-SD 3.93Å; L219-M223 HydrophobicContact CD2-SD 4.27Å; L219-M223 HydrophobicContact CG-CG 4.22Å; L219-M223 HydrophobicContact CG-SD 3.67Å; L219-M223 VanDerWaalsContact O-CG 3.31Å; L219-M223 WeakPolarHBondContact O-CG 3.47Å; L219-M223 PolarHBondContact O-N 3.08Å; E220-M223 HydrophobicContact CG-SD 4.5Å; E220-M223 PolarHBondContact O-N 3.15Å; M223-A225 VanDerWaalsContact C-N 3.28Å; M223-A225 PolarHBondContact O-N 2.99Å; M223-N226 CarbonylContact O-C 3.59Å; M223-N226 PolarHBondContact O-N 3.3Å; M223-P227 WeakPolarHBondContact O-CA 3.46Å; M223-P227 VanDerWaalsContact O-N 3.16Å; M223-A231 HydrophobicContact CE-CB 4.11Å; M223-A231 HydrophobicContact CG-CB 3.65Å; M223-A231 HydrophobicContact SD-CB 4.13Å; M223-E244 HydrophobicContact CE-CB 4.27Å; M223-E244 WeakPolarHBondContact CE-O 3.32Å; M223-E244 HydrophobicContact SD-CB 4.39Å; M223-Y245 VanDerWaalsContact CE-C 3.47Å; M223-H248 PolarHBondContact O-CE1 2.68Å
224I98.3Very high97.6Very high3 Ų334.6 Ų34.62%0.01518%0.179CC..Hα-helixtrans-58.3-44.1175.8-69.3162.5000110.3E220 S221 N226 Y246 M251 I330 Y359 M361E220-I224 WeakPolarHBondContact O-CB 3.4Å; E220-I224 WeakPolarHBondContact O-CD1 3.34Å; E220-I224 WeakPolarHBondContact O-CG1 3.37Å; E220-I224 PolarHBondContact O-N 3.17Å; S221-I224 PolarHBondContact O-N 3.17Å; I224-N226 PolarHBondContact O-N 2.93Å; I224-Y246 HydrophobicContact CD1-CE1 4.11Å; I224-Y246 HydrophobicContact CD1-CE2 4.35Å; I224-Y246 HydrophobicContact CG1-CD1 4.09Å; I224-Y246 HydrophobicContact CG1-CE1 3.58Å; I224-Y246 HydrophobicContact CG1-CE2 4.4Å; I224-M251 HydrophobicContact CD1-CE 4.44Å; I224-M251 HydrophobicContact CG1-CE 4.05Å; I224-M251 HydrophobicContact CG2-CE 3.79Å; I224-I330 HydrophobicContact CD1-CG2 4.28Å; I224-Y359 HydrophobicContact CG2-CD1 4.06Å; I224-Y359 HydrophobicContact CG2-CG 4.26Å; I224-M361 HydrophobicContact CB-CG 3.99Å; I224-M361 HydrophobicContact CB-SD 4.28Å; I224-M361 HydrophobicContact CD1-CE 4.42Å; I224-M361 HydrophobicContact CD1-SD 4.28Å; I224-M361 HydrophobicContact CG2-CG 3.69Å; I224-M361 HydrophobicContact CG2-SD 3.78Å
225A97.6Very high97.8Very high5 Ų531.7 Ų31.74%0.04116%0.163CC..Hα-helixtrans-69.6-16.7177.700000113.5R201 S221 I222 M223 V358 M361R201-A225 WeakPolarHBondContact CD-O 3.35Å; R201-A225 PolarHBondContact NH1-O 2.85Å; S221-A225 WeakPolarHBondContact O-CB 3.41Å; S221-A225 PolarHBondContact O-N 2.98Å; I222-A225 CarbonylContact O-C 3.5Å; I222-A225 PolarHBondContact O-N 3.38Å; M223-A225 VanDerWaalsContact C-N 3.28Å; M223-A225 PolarHBondContact O-N 2.99Å; A225-V358 WeakPolarHBondContact O-CG1 3.3Å; A225-M361 HydrophobicContact CB-CB 4.26Å; A225-M361 HydrophobicContact CB-CG 4.29Å
226N98.2Very high98Very high2 Ų230.7 Ų30.71%0.01115%0.15CC..  trans-145.467.3-174.8-55.9-82.4000111.3P200 L202 I209 I222 M223 I224 D228 I229P200-N226 PolarHBondContact O-ND2 3.03Å; L202-N226 PolarHBondContact N-OD1 3.22Å; I209-N226 HydrophobicContact CD1-CB 3.92Å; I222-N226 WeakPolarHBondContact CG1-ND2 3.2Å; I222-N226 WeakPolarHBondContact O-CB 3.47Å; I222-N226 PolarHBondContact O-N 2.99Å; I222-N226 PolarHBondContact O-ND2 3.23Å; M223-N226 CarbonylContact O-C 3.59Å; M223-N226 PolarHBondContact O-N 3.3Å; I224-N226 PolarHBondContact O-N 2.93Å; N226-D228 PolarHBondContact O-N 3.4Å; N226-D228 VanDerWaalsContact O-N 3.15Å; N226-I229 HydrophobicContact CB-CD1 3.96Å; N226-I229 HydrophobicContact CB-CG1 4.29Å; N226-I229 PolarHBondContact O-N 3.37Å
227P97.5Very high98Very high36 Ų3631.5 Ų31.523%0.23415%0.154CC..THydrogen-bonded Turntrans-68.2-19-165.728.6-35.6000114.6R201 M223R201-P227 VanDerWaalsContact NH1-CD 3.32Å; M223-P227 WeakPolarHBondContact O-CA 3.46Å; M223-P227 VanDerWaalsContact O-N 3.16Å
228D96.5Very high98Very high136 Ų13630.6 Ų30.673%0.72716%0.158SC*.THydrogen-bonded Turntrans-95.7-6-174.2-51.5-58.9000113.1N226N226-D228 PolarHBondContact O-N 3.4Å; N226-D228 VanDerWaalsContact O-N 3.15Å
229I98.4Very high98Very high34 Ų3432.4 Ų32.417%0.17417%0.165CC..SBendtrans-97.6126.8-175.6-53.3-179.8000109.6L202 V206 I209 N226 A231L202-I229 HydrophobicContact CB-CD1 4.28Å; L202-I229 HydrophobicContact CD1-CD1 3.88Å; L202-I229 HydrophobicContact CG-CD1 4.48Å; V206-I229 HydrophobicContact CB-CD1 4.45Å; I209-I229 HydrophobicContact CD1-CB 3.88Å; I209-I229 HydrophobicContact CD1-CD1 4.41Å; I209-I229 HydrophobicContact CD1-CG2 3.88Å; I209-I229 HydrophobicContact CG1-CB 4.39Å; I209-I229 HydrophobicContact CG1-CG2 3.82Å; N226-I229 HydrophobicContact CB-CD1 3.96Å; N226-I229 HydrophobicContact CB-CG1 4.29Å; N226-I229 PolarHBondContact O-N 3.37Å; I229-A231 PolarHBondContact O-N 2.95Å
230P98.6Very high98Very high42 Ų4235.6 Ų35.627%0.27319%0.185SC..  trans-55.6127.3173.4-25.434.6000111.6D207 A208 I209 Y232D207-P230 WeakPolarHBondContact O-CD 3.14Å; A208-P230 CarbonylContact C-O 3.59Å; A208-P230 VanDerWaalsContact CA-O 3.3Å; A208-P230 WeakPolarHBondContact CA-O 3.37Å; I209-P230 PolarHBondContact N-O 3.18Å; P230-Y232 HydrophobicContact CB-CE2 3.94Å
231A98.7Very high98Very high2 Ų236.3 Ų36.32%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-113.9141.5-179.400000111.6I209 L219 M223 I229 E244I209-A231 HydrophobicContact CB-CB 4.3Å; I209-A231 CarbonylContact O-C 3.47Å; I209-A231 WeakPolarHBondContact O-CA 3.48Å; L219-A231 HydrophobicContact CD1-CB 4.04Å; M223-A231 HydrophobicContact CE-CB 4.11Å; M223-A231 HydrophobicContact CG-CB 3.65Å; M223-A231 HydrophobicContact SD-CB 4.13Å; I229-A231 PolarHBondContact O-N 2.95Å; A231-E244 PolarHBondContact O-N 3.28Å
232Y98.8Very high98Very high44 Ų4437.7 Ų37.717%0.17320%0.197CC..EExtended strand (participates in β ladder)trans-131.3148-179.4-61.7-100.5000110.2F150 A208 I209 Y211 P230 F241 S242 R243F150-Y232 HydrophobicContact CE1-CD2 4.39Å; F150-Y232 AromaticContact CE1-CE2 3.93Å; F150-Y232 HydrophobicContact CE1-CE2 3.93Å; F150-Y232 HydrophobicContact CZ-CD1 4.38Å; F150-Y232 AromaticContact CZ-CD2 3.74Å; F150-Y232 HydrophobicContact CZ-CD2 3.74Å; F150-Y232 HydrophobicContact CZ-CE1 4.33Å; F150-Y232 AromaticContact CZ-CE2 3.68Å; F150-Y232 HydrophobicContact CZ-CE2 3.68Å; F150-Y232 HydrophobicContact CZ-CG 4.1Å; A208-Y232 HydrophobicContact CB-CD2 3.95Å; A208-Y232 HydrophobicContact CB-CE2 3.8Å; I209-Y232 PolarHBondContact O-N 2.77Å; Y211-Y232 PolarHBondContact N-O 3.02Å; P230-Y232 HydrophobicContact CB-CE2 3.94Å; Y232-F241 AromaticContact CD1-CE1 3.7Å; Y232-F241 HydrophobicContact CD1-CE1 3.7Å; Y232-F241 AromaticContact CD1-CZ 3.7Å; Y232-F241 HydrophobicContact CD1-CZ 3.7Å; Y232-F241 HydrophobicContact CE1-CE1 4.41Å; Y232-F241 HydrophobicContact CG-CE1 4.17Å; Y232-F241 HydrophobicContact CG-CE2 4.4Å; Y232-F241 AromaticContact CG-CZ 3.68Å; Y232-F241 HydrophobicContact CG-CZ 3.68Å; Y232-S242 CarbonylContact C-O 3.36Å; Y232-S242 WeakPolarHBondContact CA-O 3.49Å; Y232-R243 HydrophobicContact CD1-CB 3.81Å; Y232-R243 HydrophobicContact CD1-CG 4.24Å; Y232-R243 HydrophobicContact CE1-CB 3.62Å; Y232-R243 HydrophobicContact CE1-CG 3.87Å
233R98.7Very high98Very high38 Ų3843.4 Ų43.414%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-116.8127.5175-178.3168.873.695.18.6109.9Y211 G215 L219 D235 F241 S242 E244Y211-R233 HydrophobicContact CD1-CG 3.98Å; Y211-R233 HydrophobicContact CE1-CG 4.48Å; Y211-R233 WeakPolarHBondContact O-CA 3.22Å; G215-R233 WeakPolarHBondContact O-CD 3.37Å; L219-R233 HydrophobicContact CD2-CB 3.85Å; L219-R233 HydrophobicContact CD2-CG 4.5Å; R233-D235 IonicContact NH1-OD2 2.74Å; R233-D235 PolarHBondContact NH1-OD2 2.82Å; R233-D235 VanDerWaalsContact NH1-OD2 3.08Å; R233-F241 WeakPolarHBondContact O-CA 3.21Å; R233-F241 WeakPolarHBondContact O-CD2 3.34Å; R233-S242 PolarHBondContact N-O 2.89Å; R233-S242 PolarHBondContact O-N 3.3Å; R233-E244 HydrophobicContact CB-CG 3.78Å; R233-E244 IonicContact CZ-OE1 3.77Å; R233-E244 IonicContact NE-OE1 3.34Å; R233-E244 PolarHBondContact NE-OE1 3.17Å; R233-E244 IonicContact NH2-OE1 3.53Å
234Y98.8Very high98Very high1 Ų144 Ų440%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-104.3116.2162.2-179.7-95.7000109.3M137 H141 F142 T145 Y211 L212 G213 P236 V240 F241M137-Y234 HydrophobicContact SD-CE1 4.46Å; H141-Y234 AromaticContact CE1-CE2 3.82Å; H141-Y234 AromaticContact ND1-CE2 3.49Å; H141-Y234 WeakPolarHBondContact ND1-CE2 3.39Å; H141-Y234 AromaticContact ND1-CZ 3.55Å; H141-Y234 PolarHBondContact ND1-OH 3.38Å; F142-Y234 HydrophobicContact CB-CD1 4.16Å; F142-Y234 HydrophobicContact CB-CE1 3.72Å; F142-Y234 HydrophobicContact CB-CE2 4.35Å; F142-Y234 AromaticContact CD2-CD1 3.53Å; F142-Y234 HydrophobicContact CD2-CD1 3.53Å; F142-Y234 AromaticContact CD2-CD2 3.71Å; F142-Y234 HydrophobicContact CD2-CD2 3.71Å; F142-Y234 AromaticContact CD2-CE1 3.97Å; F142-Y234 HydrophobicContact CD2-CE1 3.97Å; F142-Y234 HydrophobicContact CD2-CE2 4.16Å; F142-Y234 AromaticContact CD2-CG 3.35Å; F142-Y234 HydrophobicContact CD2-CG 3.35Å; F142-Y234 HydrophobicContact CE2-CD1 4.08Å; F142-Y234 HydrophobicContact CE2-CD2 4.35Å; F142-Y234 AromaticContact CE2-CG 3.74Å; F142-Y234 HydrophobicContact CE2-CG 3.74Å; F142-Y234 AromaticContact CG-CD1 3.86Å; F142-Y234 HydrophobicContact CG-CD1 3.86Å; F142-Y234 AromaticContact CG-CE1 3.95Å; F142-Y234 HydrophobicContact CG-CE1 3.95Å; F142-Y234 HydrophobicContact CG-CG 4.16Å; T145-Y234 HydrophobicContact CG2-CD2 4.11Å; T145-Y234 HydrophobicContact CG2-CE2 4.35Å; Y211-Y234 PolarHBondContact O-N 3.14Å; L212-Y234 HydrophobicContact CD1-CD1 3.53Å; L212-Y234 HydrophobicContact CD1-CE1 4.17Å; G213-Y234 PolarHBondContact N-O 3.1Å; G213-Y234 VanDerWaalsContact O-O 3.13Å; Y234-P236 HydrophobicContact CE1-CB 4.07Å; Y234-P236 WeakPolarHBondContact O-CD 3.48Å; Y234-V240 WeakPolarHBondContact CA-O 3.47Å; Y234-F241 HydrophobicContact CD2-CB 4.36Å; Y234-F241 HydrophobicContact CD2-CD2 4.26Å
235D98.3Very high98Very high19 Ų1951.1 Ų51.110%0.10225%0.249CC..EExtended strand (participates in β ladder)trans-90.1112.4174.7-173.9-40.4000109.7R233 Y237 S238 K239 V240R233-D235 IonicContact NH1-OD2 2.74Å; R233-D235 PolarHBondContact NH1-OD2 2.82Å; R233-D235 VanDerWaalsContact NH1-OD2 3.08Å; D235-Y237 PolarHBondContact O-N 3.24Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.5Å; D235-Y237 PolarHBondContact OD1-N 2.96Å; D235-S238 VanDerWaalsContact CB-OG 3.3Å; D235-S238 WeakPolarHBondContact CB-OG 3.2Å; D235-S238 PolarHBondContact OD1-N 2.85Å; D235-S238 VanDerWaalsContact OD1-N 3.09Å; D235-S238 PolarHBondContact OD1-OG 2.75Å; D235-S238 PolarHBondContact OD2-OG 3.45Å; D235-K239 WeakPolarHBondContact O-CA 3.43Å; D235-K239 PolarHBondContact O-N 2.98Å; D235-V240 PolarHBondContact N-O 2.96Å
236P97.1Very high98Very high15 Ų1552.6 Ų52.610%0.09725%0.254CS..THydrogen-bonded Turntrans-71.9-17.1-174.429.9-35.2000113.8M137 F164 Y234M137-P236 HydrophobicContact CB-CB 4.11Å; M137-P236 HydrophobicContact SD-CB 3.55Å; M137-P236 VanDerWaalsContact SD-CB 3.55Å; M137-P236 HydrophobicContact SD-CG 4.49Å; F164-P236 HydrophobicContact CD1-CG 4.39Å; F164-P236 HydrophobicContact CE1-CB 4.26Å; F164-P236 HydrophobicContact CE1-CG 3.71Å; F164-P236 HydrophobicContact CE2-CG 3.9Å; F164-P236 HydrophobicContact CZ-CB 4.44Å; F164-P236 HydrophobicContact CZ-CG 3.44Å; F164-P236 VanDerWaalsContact CZ-CG 3.44Å; Y234-P236 HydrophobicContact CE1-CB 4.07Å; Y234-P236 WeakPolarHBondContact O-CD 3.48Å
237Y95.8Very high98Very high114 Ų11457.6 Ų57.645%0.44728%0.28SS..THydrogen-bonded Turntrans-85.3-50.7179.2-57.9-78.1000111.1Y37 I135 F164 D214 D235Y37-Y237 PolarHBondContact OH-OH 2.65Å; I135-Y237 WeakPolarHBondContact CD1-OH 3.32Å; F164-Y237 HydrophobicContact CE2-CE2 4.45Å; F164-Y237 AromaticContact CZ-CE2 3.89Å; F164-Y237 HydrophobicContact CZ-CE2 3.89Å; F164-Y237 AromaticContact CZ-CZ 3.86Å; D214-Y237 HydrophobicContact CB-CD2 4.08Å; D214-Y237 HydrophobicContact CB-CE2 4.18Å; D235-Y237 PolarHBondContact O-N 3.24Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.5Å; D235-Y237 PolarHBondContact OD1-N 2.96Å
238S97.1Very high98Very high66 Ų6657.8 Ų57.846%0.46228%0.278SS..THydrogen-bonded Turntrans-86.4-10.5-179.462.70000113.6D235 V240D235-S238 VanDerWaalsContact CB-OG 3.3Å; D235-S238 WeakPolarHBondContact CB-OG 3.2Å; D235-S238 PolarHBondContact OD1-N 2.85Å; D235-S238 VanDerWaalsContact OD1-N 3.09Å; D235-S238 PolarHBondContact OD1-OG 2.75Å; D235-S238 PolarHBondContact OD2-OG 3.45Å; S238-V240 PolarHBondContact O-N 2.77Å
239K97.4Very high98Very high90 Ų9060 Ų6039%0.39128%0.281SS..THydrogen-bonded Turntrans58.324.6-174.4-63.8-172.9171.3-165.40113.4D138 D235D138-K239 IonicContact OD2-NZ 3.92Å; D138-K239 PolarHBondContact OD2-NZ 3.26Å; D235-K239 WeakPolarHBondContact O-CA 3.43Å; D235-K239 PolarHBondContact O-N 2.98Å
240V98Very high97.9Very high68 Ų6860.4 Ų60.441%0.41229%0.29SS..EExtended strand (participates in β ladder)trans-87.5128.4179.1173.60000109.8Y234 D235 S238Y234-V240 WeakPolarHBondContact CA-O 3.47Å; D235-V240 PolarHBondContact N-O 2.96Å; S238-V240 PolarHBondContact O-N 2.77Å
241F98.6Very high97.9Very high40 Ų4059.1 Ų59.118%0.17528%0.281CS..EExtended strand (participates in β ladder)trans-108.4122.5168.8-168.5-117.2000110.1T145 N149 F150 I210 Y232 R233 Y234T145-F241 HydrophobicContact CG2-CB 3.47Å; T145-F241 VanDerWaalsContact CG2-CB 3.47Å; T145-F241 HydrophobicContact CG2-CD1 3.97Å; T145-F241 HydrophobicContact CG2-CD2 4.07Å; T145-F241 HydrophobicContact CG2-CG 3.57Å; N149-F241 HydrophobicContact CB-CD1 4.26Å; N149-F241 HydrophobicContact CB-CE1 3.84Å; N149-F241 WeakPolarHBondContact ND2-CD1 3.5Å; F150-F241 AromaticContact CE2-CE1 3.89Å; F150-F241 HydrophobicContact CE2-CE1 3.89Å; F150-F241 AromaticContact CE2-CZ 3.66Å; F150-F241 HydrophobicContact CE2-CZ 3.66Å; F150-F241 HydrophobicContact CZ-CE1 4.37Å; F150-F241 HydrophobicContact CZ-CZ 4.13Å; I210-F241 HydrophobicContact CG2-CE2 4.12Å; Y232-F241 AromaticContact CD1-CE1 3.7Å; Y232-F241 HydrophobicContact CD1-CE1 3.7Å; Y232-F241 AromaticContact CD1-CZ 3.7Å; Y232-F241 HydrophobicContact CD1-CZ 3.7Å; Y232-F241 HydrophobicContact CE1-CE1 4.41Å; Y232-F241 HydrophobicContact CG-CE1 4.17Å; Y232-F241 HydrophobicContact CG-CE2 4.4Å; Y232-F241 AromaticContact CG-CZ 3.68Å; Y232-F241 HydrophobicContact CG-CZ 3.68Å; R233-F241 WeakPolarHBondContact O-CA 3.21Å; R233-F241 WeakPolarHBondContact O-CD2 3.34Å; Y234-F241 HydrophobicContact CD2-CB 4.36Å; Y234-F241 HydrophobicContact CD2-CD2 4.26Å
242S98.3Very high97.9Very high29 Ų2962.4 Ų62.420%0.20329%0.292CS..EExtended strand (participates in β ladder)trans-138.7145.6-172.855.80000111.4Y232 R233 E244Y232-S242 CarbonylContact C-O 3.36Å; Y232-S242 WeakPolarHBondContact CA-O 3.49Å; R233-S242 PolarHBondContact N-O 2.89Å; R233-S242 PolarHBondContact O-N 3.3Å; S242-E244 PolarHBondContact OG-OE1 3Å
243R98.5Very high97.8Very high119 Ų11963 Ų6345%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-81.7130.6167.8-173.4172.6176.41783.3108.9Y232 Y245Y232-R243 HydrophobicContact CD1-CB 3.81Å; Y232-R243 HydrophobicContact CD1-CG 4.24Å; Y232-R243 HydrophobicContact CE1-CB 3.62Å; Y232-R243 HydrophobicContact CE1-CG 3.87Å; R243-Y245 HydrophobicContact CB-CE2 4.47Å; R243-Y245 WeakPolarHBondContact CD-OH 3.42Å; R243-Y245 HydrophobicContact CG-CE2 4.09Å; R243-Y245 PolarHBondContact NE-OH 3.43Å
244E98.4Very high97.8Very high22 Ų2263.5 Ų63.510%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-112146-173.7-65.2-79.5-170.500110.1R216 L219 M223 A231 R233 S242R216-E244 IonicContact CZ-OE2 3.96Å; R216-E244 IonicContact NE-OE2 2.93Å; R216-E244 IonicContact NH1-OE2 2.66Å; L219-E244 HydrophobicContact CD2-CB 3.73Å; L219-E244 HydrophobicContact CD2-CG 3.58Å; M223-E244 HydrophobicContact CE-CB 4.27Å; M223-E244 WeakPolarHBondContact CE-O 3.32Å; M223-E244 HydrophobicContact SD-CB 4.39Å; A231-E244 PolarHBondContact O-N 3.28Å; R233-E244 HydrophobicContact CB-CG 3.78Å; R233-E244 IonicContact CZ-OE1 3.77Å; R233-E244 IonicContact NE-OE1 3.34Å; R233-E244 PolarHBondContact NE-OE1 3.17Å; R233-E244 IonicContact NH2-OE1 3.53Å; S242-E244 PolarHBondContact OG-OE1 3Å
245Y98.1Very high97.8Very high151 Ų15163.5 Ų63.559%0.59231%0.314SS*.  trans-128.5141.4-177.6-60.6-89.8000110.3R216 M223 R243R216-Y245 PolarHBondContact NH2-O 3.4Å; R216-Y245 VanDerWaalsContact NH2-O 3.13Å; M223-Y245 VanDerWaalsContact CE-C 3.47Å; R243-Y245 HydrophobicContact CB-CE2 4.47Å; R243-Y245 WeakPolarHBondContact CD-OH 3.42Å; R243-Y245 HydrophobicContact CG-CE2 4.09Å; R243-Y245 PolarHBondContact NE-OH 3.43Å
246Y97.9Very high97.7Very high37 Ų3765.3 Ų65.315%0.14532%0.323CS..  trans-123.6135.1176.6-168.2-95.5000109.8E220 I224 H248 M251E220-Y246 HydrophobicContact CB-CD2 4.08Å; E220-Y246 HydrophobicContact CB-CE2 3.99Å; E220-Y246 HydrophobicContact CG-CD2 3.66Å; E220-Y246 HydrophobicContact CG-CE2 3.87Å; I224-Y246 HydrophobicContact CD1-CE1 4.11Å; I224-Y246 HydrophobicContact CD1-CE2 4.35Å; I224-Y246 HydrophobicContact CG1-CD1 4.09Å; I224-Y246 HydrophobicContact CG1-CE1 3.58Å; I224-Y246 HydrophobicContact CG1-CE2 4.4Å; Y246-H248 AromaticContact CD1-CE1 3.58Å; Y246-H248 AromaticContact CD1-CG 3.97Å; Y246-H248 AromaticContact CD1-ND1 3.51Å; Y246-H248 PolarHBondContact O-CD2 3.46Å; Y246-H248 PolarHBondContact O-N 3.42Å; Y246-M251 HydrophobicContact CE1-CB 3.79Å; Y246-M251 HydrophobicContact CE1-CE 4.15Å; Y246-M251 HydrophobicContact CE1-CG 4.02Å; Y246-M251 WeakPolarHBondContact OH-CG 3.49Å
247N97.5Very high97.8Very high106 Ų10670.8 Ų70.857%0.56735%0.348SS*.  trans-82.973.2-179-166.4-16.6000110.4K249 A250 M251N247-K249 VanDerWaalsContact C-N 3.25Å; N247-K249 PolarHBondContact O-N 3.34Å; N247-A250 HydrophobicContact CB-CB 4.14Å; N247-A250 WeakPolarHBondContact ND2-CB 3.42Å; N247-A250 PolarHBondContact O-N 2.97Å; N247-A250 VanDerWaalsContact OD1-CB 3.3Å; N247-A250 WeakPolarHBondContact OD1-CB 3.48Å; N247-A250 PolarHBondContact OD1-N 2.97Å; N247-M251 PolarHBondContact O-N 3.11Å
248H97.6Very high97.9Very high40 Ų4065.9 Ų65.919%0.18533%0.331CS..Hα-helixtrans-56.2-39.7-178.4-61.9-74.9000112.4M223 Y246 R252M223-H248 PolarHBondContact O-CE1 2.68Å; Y246-H248 AromaticContact CD1-CE1 3.58Å; Y246-H248 AromaticContact CD1-CG 3.97Å; Y246-H248 AromaticContact CD1-ND1 3.51Å; Y246-H248 PolarHBondContact O-CD2 3.46Å; Y246-H248 PolarHBondContact O-N 3.42Å; H248-R252 WeakPolarHBondContact O-CB 3.4Å; H248-R252 WeakPolarHBondContact O-CG 3.16Å; H248-R252 PolarHBondContact O-N 3.23Å
249K97.3Very high98Very high182 Ų18262.8 Ų62.879%0.79131%0.309SS*.Hα-helixtrans-63.2-49.5179.4-68-176.6-178.8178.90111.3N247 A253N247-K249 VanDerWaalsContact C-N 3.25Å; N247-K249 PolarHBondContact O-N 3.34Å; K249-A253 VanDerWaalsContact O-CB 3.25Å; K249-A253 WeakPolarHBondContact O-CB 3.41Å; K249-A253 PolarHBondContact O-N 3.1Å
250A97.4Very high98.1Very high43 Ų4362.2 Ų62.236%0.35531%0.31SS..Hα-helixtrans-65.5-44.2179.500000111.9N247 A253 T254N247-A250 HydrophobicContact CB-CB 4.14Å; N247-A250 WeakPolarHBondContact ND2-CB 3.42Å; N247-A250 PolarHBondContact O-N 2.97Å; N247-A250 VanDerWaalsContact OD1-CB 3.3Å; N247-A250 WeakPolarHBondContact OD1-CB 3.48Å; N247-A250 PolarHBondContact OD1-N 2.97Å; A250-A253 PolarHBondContact O-N 2.96Å; A250-T254 VanDerWaalsContact O-CB 3.31Å; A250-T254 WeakPolarHBondContact O-CB 3.38Å; A250-T254 PolarHBondContact O-N 2.96Å; A250-T254 PolarHBondContact O-OG1 3.06Å
251M97.6Very high98.1Very high16 Ų1663.7 Ų63.78%0.07931%0.312CS..Hα-helixtrans-57.7-53.4176.9-177.7-81.9-81.800110.3I224 Y246 N247 A253 T254 R255 I330 Y359I224-M251 HydrophobicContact CD1-CE 4.44Å; I224-M251 HydrophobicContact CG1-CE 4.05Å; I224-M251 HydrophobicContact CG2-CE 3.79Å; Y246-M251 HydrophobicContact CE1-CB 3.79Å; Y246-M251 HydrophobicContact CE1-CE 4.15Å; Y246-M251 HydrophobicContact CE1-CG 4.02Å; Y246-M251 WeakPolarHBondContact OH-CG 3.49Å; N247-M251 PolarHBondContact O-N 3.11Å; M251-A253 PolarHBondContact O-N 3.11Å; M251-T254 WeakPolarHBondContact O-CB 3.48Å; M251-T254 PolarHBondContact O-N 3.31Å; M251-R255 HydrophobicContact CG-CG 4.41Å; M251-R255 WeakPolarHBondContact O-CG 3.31Å; M251-R255 PolarHBondContact O-N 3.38Å; M251-R255 HydrophobicContact SD-CG 3.7Å; M251-I330 HydrophobicContact CG-CG2 4.05Å; M251-Y359 HydrophobicContact CE-CG 4.3Å
252R97.6Very high98.1Very high70 Ų7061.8 Ų61.826%0.26430%0.304SS..Hα-helixtrans-63.8-41.5-178-69.1-178.673.1169.49.2113.1H248 T254 R255 L256 W355 E356 E357H248-R252 WeakPolarHBondContact O-CB 3.4Å; H248-R252 WeakPolarHBondContact O-CG 3.16Å; H248-R252 PolarHBondContact O-N 3.23Å; R252-T254 VanDerWaalsContact C-N 3.32Å; R252-T254 PolarHBondContact O-N 3.21Å; R252-R255 PolarHBondContact O-N 3.04Å; R252-L256 WeakPolarHBondContact O-CB 3.22Å; R252-L256 WeakPolarHBondContact O-CG 3.38Å; R252-L256 PolarHBondContact O-N 3.3Å; R252-W355 HydrophobicContact CB-CZ2 4.37Å; R252-W355 HydrophobicContact CG-CZ2 4.33Å; R252-W355 VanDerWaalsContact NH2-NE1 3.18Å; R252-E356 PolarHBondContact NH2-O 3.39Å; R252-E356 VanDerWaalsContact NH2-O 3.08Å; R252-E357 PolarHBondContact NH1-O 3.13Å; R252-E357 PolarHBondContact NH2-O 3.33Å
253A97.8Very high98.1Very high58 Ų5865.5 Ų65.548%0.47931%0.314SS..Hα-helixtrans-60.5-44.8176.300000111.2K249 A250 M251 L256 Q257K249-A253 VanDerWaalsContact O-CB 3.25Å; K249-A253 WeakPolarHBondContact O-CB 3.41Å; K249-A253 PolarHBondContact O-N 3.1Å; A250-A253 PolarHBondContact O-N 2.96Å; M251-A253 PolarHBondContact O-N 3.11Å; A253-L256 PolarHBondContact O-N 2.98Å; A253-Q257 WeakPolarHBondContact O-CB 3.16Å; A253-Q257 PolarHBondContact O-N 3.12Å
254T98.1Very high98.1Very high47 Ų4766.7 Ų66.729%0.28833%0.328SS..Hα-helixtrans-61.9-44.8177.1-58.20000111.6A250 M251 R252 Q257 A258 T334A250-T254 VanDerWaalsContact O-CB 3.31Å; A250-T254 WeakPolarHBondContact O-CB 3.38Å; A250-T254 PolarHBondContact O-N 2.96Å; A250-T254 PolarHBondContact O-OG1 3.06Å; M251-T254 WeakPolarHBondContact O-CB 3.48Å; M251-T254 PolarHBondContact O-N 3.31Å; R252-T254 VanDerWaalsContact C-N 3.32Å; R252-T254 PolarHBondContact O-N 3.21Å; T254-Q257 PolarHBondContact O-N 2.76Å; T254-A258 PolarHBondContact O-N 2.96Å; T254-A258 VanDerWaalsContact O-N 3.08Å; T254-T334 HydrophobicContact CG2-CG2 3.29Å
255R98.3Very high98.1Very high2 Ų265.8 Ų65.81%0.00832%0.324CS..Hα-helixtrans-68.5-42179.9-63.3-37-55.9153.512.3112.6M251 R252 Q257 A258 I259 S329 L340 E345 W355M251-R255 HydrophobicContact CG-CG 4.41Å; M251-R255 WeakPolarHBondContact O-CG 3.31Å; M251-R255 PolarHBondContact O-N 3.38Å; M251-R255 HydrophobicContact SD-CG 3.7Å; R252-R255 PolarHBondContact O-N 3.04Å; R255-Q257 PolarHBondContact O-N 3.34Å; R255-A258 PolarHBondContact O-N 3.42Å; R255-I259 WeakPolarHBondContact O-CG1 3.5Å; R255-I259 PolarHBondContact O-N 3.03Å; R255-S329 VanDerWaalsContact CZ-O 3.29Å; R255-S329 PolarHBondContact NH1-O 3.07Å; R255-L340 PolarHBondContact NH1-O 2.84Å; R255-L340 PolarHBondContact NH2-O 3.31Å; R255-E345 WeakPolarHBondContact CB-OE1 3.03Å; R255-E345 WeakPolarHBondContact CG-OE1 3.28Å; R255-E345 IonicContact CZ-OE1 3.65Å; R255-E345 IonicContact CZ-OE2 3.35Å; R255-E345 IonicContact NE-OE1 3.47Å; R255-E345 PolarHBondContact NE-OE1 3.42Å; R255-E345 IonicContact NE-OE2 3.98Å; R255-E345 VanDerWaalsContact NH2-CD 3.28Å; R255-E345 IonicContact NH2-OE1 2.94Å; R255-E345 PolarHBondContact NH2-OE1 2.73Å; R255-E345 IonicContact NH2-OE2 3.27Å; R255-E345 PolarHBondContact NH2-OE2 3.36Å; R255-W355 HydrophobicContact CB-CH2 3.98Å
256L98.1Very high98Very high56 Ų5663.8 Ų63.829%0.29332%0.32SS..Hα-helixtrans-61.1-42.8173.5-79.9169.5000111.9R252 A253 A258 I259 D260 W355R252-L256 WeakPolarHBondContact O-CB 3.22Å; R252-L256 WeakPolarHBondContact O-CG 3.38Å; R252-L256 PolarHBondContact O-N 3.3Å; A253-L256 PolarHBondContact O-N 2.98Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 3.02Å; L256-I259 WeakPolarHBondContact O-CB 3.29Å; L256-I259 PolarHBondContact O-N 3.48Å; L256-D260 WeakPolarHBondContact O-CB 3.33Å; L256-D260 PolarHBondContact O-N 2.8Å; L256-W355 HydrophobicContact CD1-CZ2 4.48Å; L256-W355 HydrophobicContact CD2-CB 4.44Å; L256-W355 HydrophobicContact CD2-CD2 3.67Å; L256-W355 HydrophobicContact CD2-CE3 4.18Å; L256-W355 HydrophobicContact CD2-CG 3.8Å; L256-W355 HydrophobicContact CD2-CZ2 4.28Å; L256-W355 HydrophobicContact CG-CD2 4.28Å; L256-W355 HydrophobicContact CG-CH2 4.49Å; L256-W355 HydrophobicContact CG-CZ2 3.97Å
257Q98.4Very high98.1Very high131 Ų13166.8 Ų66.861%0.61233%0.332SS*.Hα-helixtrans-59.7-42.7175.5-177.6-178.5-7.800111.9A253 T254 R255 D260 Q261A253-Q257 WeakPolarHBondContact O-CB 3.16Å; A253-Q257 PolarHBondContact O-N 3.12Å; T254-Q257 PolarHBondContact O-N 2.76Å; R255-Q257 PolarHBondContact O-N 3.34Å; Q257-D260 PolarHBondContact O-N 2.74Å; Q257-Q261 WeakPolarHBondContact O-CB 3.44Å; Q257-Q261 PolarHBondContact O-N 2.78Å
258A98.7Very high98.1Very high11 Ų1161.8 Ų61.89%0.09131%0.305CS..Hα-helixtrans-63.6-40.9176.400000112T254 R255 L256 A262 P339 L341T254-A258 PolarHBondContact O-N 2.96Å; T254-A258 VanDerWaalsContact O-N 3.08Å; R255-A258 PolarHBondContact O-N 3.42Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 3.02Å; A258-A262 WeakPolarHBondContact O-CB 3.46Å; A258-A262 PolarHBondContact O-N 2.91Å; A258-P339 HydrophobicContact CB-CB 4.13Å; A258-P339 WeakPolarHBondContact O-CB 3.43Å; A258-L341 HydrophobicContact CB-CD2 3.87Å
259I98.8Very high98.2Very high0 Ų059.9 Ų59.90%030%0.296CS..Hα-helixtrans-62.3-47.5174.7-70.4166.2000110.8R255 L256 Q261 A262 R263 L341 E345 V348 A349 W355R255-I259 WeakPolarHBondContact O-CG1 3.5Å; R255-I259 PolarHBondContact O-N 3.03Å; L256-I259 WeakPolarHBondContact O-CB 3.29Å; L256-I259 PolarHBondContact O-N 3.48Å; I259-Q261 VanDerWaalsContact C-N 3.33Å; I259-Q261 PolarHBondContact O-N 3.44Å; I259-A262 PolarHBondContact O-N 2.8Å; I259-A262 VanDerWaalsContact O-N 3.13Å; I259-R263 WeakPolarHBondContact O-CG 3.35Å; I259-R263 PolarHBondContact O-N 3.3Å; I259-L341 HydrophobicContact CG1-CD2 4.23Å; I259-E345 HydrophobicContact CD1-CB 3.94Å; I259-E345 HydrophobicContact CD1-CG 4.04Å; I259-E345 HydrophobicContact CG1-CB 3.88Å; I259-E345 HydrophobicContact CG1-CG 4.4Å; I259-V348 HydrophobicContact CD1-CB 4.37Å; I259-V348 HydrophobicContact CD1-CG1 4.26Å; I259-V348 HydrophobicContact CG2-CG1 4.01Å; I259-A349 HydrophobicContact CG2-CB 4.04Å; I259-W355 HydrophobicContact CD1-CE3 3.66Å; I259-W355 HydrophobicContact CD1-CH2 4.36Å; I259-W355 HydrophobicContact CD1-CZ3 3.44Å; I259-W355 VanDerWaalsContact CD1-CZ3 3.44Å
260D98.6Very high98.3Very high78 Ų7851.3 Ų51.342%0.41726%0.259SS..Hα-helixtrans-63-40.3-179.5-75.3-26.9000112L256 Q257 R263L256-D260 WeakPolarHBondContact O-CB 3.33Å; L256-D260 PolarHBondContact O-N 2.8Å; Q257-D260 PolarHBondContact O-N 2.74Å; D260-R263 PolarHBondContact O-N 2.81Å; D260-R263 IonicContact OD1-CZ 3.33Å; D260-R263 IonicContact OD1-NH1 3.08Å; D260-R263 PolarHBondContact OD1-NH1 2.87Å
261Q98.4Very high98.3Very high99 Ų9949.2 Ų49.246%0.46324%0.242SC..Hα-helixtrans-63.5-42.6172.9-170.41769.100111.5Q257 I259 R263 L264 P339Q257-Q261 WeakPolarHBondContact O-CB 3.44Å; Q257-Q261 PolarHBondContact O-N 2.78Å; I259-Q261 VanDerWaalsContact C-N 3.33Å; I259-Q261 PolarHBondContact O-N 3.44Å; Q261-R263 VanDerWaalsContact C-N 3.33Å; Q261-R263 PolarHBondContact O-N 3.37Å; Q261-L264 PolarHBondContact O-N 3.13Å; Q261-P339 HydrophobicContact CB-CB 4.49Å; Q261-P339 HydrophobicContact CB-CG 4.24Å; Q261-P339 HydrophobicContact CG-CG 4.03Å
262A98.6Very high98.3Very high0 Ų049.7 Ų49.70%024%0.244CC..Hα-helixtrans-68.7-27.2179.700000113.4A258 I259 L264 A265 W268 A319 P339 L341 A349A258-A262 WeakPolarHBondContact O-CB 3.46Å; A258-A262 PolarHBondContact O-N 2.91Å; I259-A262 PolarHBondContact O-N 2.8Å; I259-A262 VanDerWaalsContact O-N 3.13Å; A262-L264 PolarHBondContact O-N 3.46Å; A262-L264 VanDerWaalsContact O-N 3.13Å; A262-A265 WeakPolarHBondContact O-CB 3.33Å; A262-A265 PolarHBondContact O-N 3.24Å; A262-W268 HydrophobicContact CB-CH2 3.86Å; A262-W268 HydrophobicContact CB-CZ2 4.43Å; A262-W268 HydrophobicContact CB-CZ3 4.44Å; A262-W268 WeakPolarHBondContact O-CZ2 3.46Å; A262-A319 HydrophobicContact CB-CB 3.82Å; A262-P339 HydrophobicContact CB-CB 4.48Å; A262-P339 HydrophobicContact CB-CG 4.27Å; A262-L341 HydrophobicContact CB-CD1 3.59Å; A262-L341 HydrophobicContact CB-CG 4.27Å; A262-A349 HydrophobicContact CB-CB 4.35Å
263R98.4Very high98.3Very high108 Ų10846.7 Ų46.741%0.40824%0.235SC..Hα-helixtrans-56.2-29.7173.8-76.4172.2175.1162.1-4.5112.7I259 D260 Q261 A349I259-R263 WeakPolarHBondContact O-CG 3.35Å; I259-R263 PolarHBondContact O-N 3.3Å; D260-R263 PolarHBondContact O-N 2.81Å; D260-R263 IonicContact OD1-CZ 3.33Å; D260-R263 IonicContact OD1-NH1 3.08Å; D260-R263 PolarHBondContact OD1-NH1 2.87Å; Q261-R263 VanDerWaalsContact C-N 3.33Å; Q261-R263 PolarHBondContact O-N 3.37Å; R263-A349 HydrophobicContact CG-CB 4.31Å; R263-A349 WeakPolarHBondContact CG-O 3.44Å
264L97.8Very high98.2Very high143 Ų14347.1 Ų47.175%0.74923%0.232SC*.THydrogen-bonded Turntrans-81.5-13179-55.7176.2000113.3Q261 A262Q261-L264 PolarHBondContact O-N 3.13Å; A262-L264 PolarHBondContact O-N 3.46Å; A262-L264 VanDerWaalsContact O-N 3.13Å
265A98.3Very high98Very high3 Ų345.5 Ų45.53%0.02522%0.221CC..  trans-69.1139.3-173.300000113.4A262 W268 K296 D318 A319A262-A265 WeakPolarHBondContact O-CB 3.33Å; A262-A265 PolarHBondContact O-N 3.24Å; A265-W268 HydrophobicContact CB-CZ2 4.07Å; A265-W268 PolarHBondContact O-NE1 2.89Å; A265-W268 VanDerWaalsContact O-NE1 3.14Å; A265-K296 PolarHBondContact O-NZ 3.18Å; A265-D318 HydrophobicContact CB-CB 3.64Å; A265-A319 HydrophobicContact CB-CB 3.67Å
266Q97.9Very high97.7Very high109 Ų10945.8 Ų45.851%0.50922%0.224SC..SBendtrans-109.2-30.1174.5-61.3-57.4-43.200112.4S297 D318Q266-S297 PolarHBondContact O-N 2.91Å; Q266-S297 VanDerWaalsContact O-N 3.08Å; Q266-S297 PolarHBondContact O-OG 2.93Å; Q266-D318 PolarHBondContact N-OD2 2.97Å
267R98.5Very high97.4Very high101 Ų10145.9 Ų45.938%0.38122%0.221SC..EExtended strand (participates in β ladder)trans-112.3108.7178.2-63.1173.5-65.2164.712.7109.6S297 D316 D318R267-S297 WeakPolarHBondContact CG-OG 3.28Å; R267-D316 WeakPolarHBondContact CB-O 3.45Å; R267-D316 WeakPolarHBondContact CD-O 3.34Å; R267-D316 IonicContact CZ-OD1 3.85Å; R267-D316 PolarHBondContact NE-O 3.05Å; R267-D316 PolarHBondContact NH1-O 3.11Å; R267-D316 IonicContact NH1-OD1 3.84Å; R267-D316 PolarHBondContact NH1-OD1 3Å; R267-D316 PolarHBondContact NH2-O 3.31Å; R267-D318 IonicContact CZ-OD1 2.97Å; R267-D318 PolarHBondContact N-OD2 2.83Å; R267-D318 IonicContact NE-OD1 2.83Å; R267-D318 PolarHBondContact NE-OD1 3.38Å; R267-D318 IonicContact NE-OD2 3.57Å; R267-D318 IonicContact NH2-OD1 3.1Å; R267-D318 PolarHBondContact NH2-OD1 3.09Å; R267-D318 WeakPolarHBondContact O-CB 3.38Å; R267-D318 PolarHBondContact O-N 3.33Å
268W98.8Very high97.2Very high1 Ų140.1 Ų40.10%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-99.8141.9-177-71.570.3000111.3A262 A265 L291 S297 F298 T299 A319 V321 L341 A349 L350A262-W268 HydrophobicContact CB-CH2 3.86Å; A262-W268 HydrophobicContact CB-CZ2 4.43Å; A262-W268 HydrophobicContact CB-CZ3 4.44Å; A262-W268 WeakPolarHBondContact O-CZ2 3.46Å; A265-W268 HydrophobicContact CB-CZ2 4.07Å; A265-W268 PolarHBondContact O-NE1 2.89Å; A265-W268 VanDerWaalsContact O-NE1 3.14Å; W268-L291 HydrophobicContact CB-CD1 3.96Å; W268-L291 HydrophobicContact CB-CD2 4.22Å; W268-L291 HydrophobicContact CD2-CD2 3.74Å; W268-L291 HydrophobicContact CE3-CD2 4.39Å; W268-L291 HydrophobicContact CG-CD1 4.23Å; W268-L291 HydrophobicContact CG-CD2 3.62Å; W268-S297 PolarHBondContact N-O 2.86Å; W268-F298 HydrophobicContact CB-CB 4.04Å; W268-F298 CarbonylContact O-C 3.48Å; W268-F298 WeakPolarHBondContact O-CA 3.43Å; W268-F298 WeakPolarHBondContact O-CB 3.4Å; W268-T299 PolarHBondContact O-N 2.85Å; W268-A319 WeakPolarHBondContact CA-O 3.38Å; W268-A319 HydrophobicContact CD2-CB 4.45Å; W268-A319 HydrophobicContact CE3-CB 4.26Å; W268-A319 HydrophobicContact CZ3-CB 4.32Å; W268-V321 HydrophobicContact CE3-CG2 3.61Å; W268-V321 HydrophobicContact CZ3-CG2 3.6Å; W268-L341 HydrophobicContact CH2-CD1 4.36Å; W268-L341 HydrophobicContact CZ3-CD1 4.18Å; W268-A349 HydrophobicContact CH2-CB 4.03Å; W268-L350 HydrophobicContact CH2-CD2 3.97Å; W268-L350 HydrophobicContact CH2-CG 4.3Å; W268-L350 HydrophobicContact CZ2-CD2 3.68Å; W268-L350 HydrophobicContact CZ2-CG 4.5Å
269G98.7Very high97Very high0 Ų040.5 Ų40.50%020%0.199CC..EExtended strand (participates in β ladder)trans-105.8120169.900000109.9A319 W320 V321G269-A319 PolarHBondContact N-O 2.97Å; G269-W320 VanDerWaalsContact CA-CE3 3.47Å; G269-W320 CarbonylContact O-C 3.53Å; G269-W320 WeakPolarHBondContact O-CA 3.4Å; G269-V321 PolarHBondContact O-N 2.83Å
270L98.8Very high96.8Very high1 Ų141.1 Ų41.11%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-101.8106.3177-59.2-176.9000109.2L284 L287 E288 L291 F298 T299 V301 V321 I323L270-L284 HydrophobicContact CB-CD1 3.69Å; L270-L284 HydrophobicContact CD1-CD1 3.77Å; L270-L284 HydrophobicContact CG-CD1 4.35Å; L270-L287 HydrophobicContact CD1-CB 4.47Å; L270-L287 HydrophobicContact CD2-CB 4.41Å; L270-E288 HydrophobicContact CD1-CG 3.54Å; L270-L291 HydrophobicContact CD1-CD1 4.03Å; L270-L291 HydrophobicContact CD2-CD1 3.8Å; L270-L291 HydrophobicContact CG-CD1 4.2Å; L270-F298 HydrophobicContact CD1-CB 4.28Å; L270-F298 HydrophobicContact CD1-CD2 3.58Å; L270-F298 HydrophobicContact CD1-CE2 4.16Å; L270-F298 HydrophobicContact CD1-CG 3.98Å; L270-F298 HydrophobicContact CG-CB 4.26Å; L270-F298 HydrophobicContact CG-CD2 4.22Å; L270-F298 HydrophobicContact CG-CG 4.48Å; L270-T299 PolarHBondContact N-O 2.8Å; L270-V301 PolarHBondContact O-N 2.84Å; L270-V321 HydrophobicContact CD2-CB 3.97Å; L270-V321 HydrophobicContact CD2-CG2 4.17Å; L270-I323 HydrophobicContact CB-CD1 4.39Å
271I98.7Very high96.7Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-90.5115.2178.8-56165000108.6V301 L303 V306 L311 W320 V321 Q322 I323 L340I271-V301 CarbonylContact C-O 3.07Å; I271-V301 VanDerWaalsContact CA-O 3.26Å; I271-V301 WeakPolarHBondContact CA-O 3.31Å; I271-L303 HydrophobicContact CG2-CB 4.14Å; I271-L303 HydrophobicContact CG2-CD1 4.04Å; I271-L303 HydrophobicContact CG2-CG 4.33Å; I271-V306 HydrophobicContact CD1-CG1 4.04Å; I271-V306 HydrophobicContact CG2-CG2 3.95Å; I271-L311 HydrophobicContact CD1-CD1 3.7Å; I271-L311 HydrophobicContact CD1-CD2 3.8Å; I271-L311 HydrophobicContact CD1-CG 4.43Å; I271-W320 HydrophobicContact CD1-CB 4.36Å; I271-W320 HydrophobicContact CD1-CD2 4.17Å; I271-W320 HydrophobicContact CD1-CE3 3.67Å; I271-W320 HydrophobicContact CD1-CG 4.49Å; I271-W320 HydrophobicContact CD1-CZ3 4.33Å; I271-W320 HydrophobicContact CG1-CE3 3.61Å; I271-W320 HydrophobicContact CG1-CZ3 3.97Å; I271-V321 PolarHBondContact N-O 2.83Å; I271-Q322 HydrophobicContact CB-CB 4.37Å; I271-Q322 HydrophobicContact CD1-CB 4.49Å; I271-I323 VanDerWaalsContact O-CD1 3.22Å; I271-I323 WeakPolarHBondContact O-CD1 3.06Å; I271-I323 PolarHBondContact O-N 2.68Å; I271-L340 HydrophobicContact CD1-CD1 4.12Å
272L98.3Very high96.6Very high26 Ų2641.2 Ų41.214%0.13621%0.206CC..EExtended strand (participates in β ladder)trans-95.8117.2169.2-177.971000109.1T274 L284 V301 L302 L303 I323L272-T274 PolarHBondContact O-N 3.02Å; L272-L284 HydrophobicContact CB-CD2 4.28Å; L272-L284 HydrophobicContact CD1-CB 4.34Å; L272-L284 HydrophobicContact CD1-CD2 4.44Å; L272-L284 HydrophobicContact CD2-CD2 4.04Å; L272-L284 HydrophobicContact CG-CD2 4.49Å; L272-V301 PolarHBondContact N-O 3.37Å; L272-L302 HydrophobicContact CB-CD2 3.66Å; L272-L302 HydrophobicContact CD2-CD2 3.8Å; L272-L302 HydrophobicContact CG-CD2 4.18Å; L272-L303 PolarHBondContact O-N 3.48Å; L272-I323 HydrophobicContact CD1-CB 4.36Å; L272-I323 HydrophobicContact CD1-CG2 4.26Å
273G97Very high96.5Very high6 Ų641.2 Ų41.26%0.06221%0.206CC..EExtended strand (participates in β ladder)trans-65.1125.9177.400000111.8G279 L303 I323G273-G279 VanDerWaalsContact O-CA 3.25Å; G273-G279 WeakPolarHBondContact O-CA 3.27Å; G273-G279 PolarHBondContact O-N 3.3Å; G273-G279 VanDerWaalsContact O-N 3.16Å; G273-L303 CarbonylContact C-O 3.53Å; G273-L303 WeakPolarHBondContact CA-O 3.37Å; G273-I323 PolarHBondContact N-O 3.08Å
274T95.1Very high96.5Very high68 Ų6836.9 Ų36.942%0.41719%0.191SC..  trans-108-0.917955.80000113.3L272 G276 L302 L303 S304L272-T274 PolarHBondContact O-N 3.02Å; T274-G276 PolarHBondContact O-N 2.58Å; T274-G276 VanDerWaalsContact O-N 3.15Å; T274-L302 HydrophobicContact CG2-CB 3.9Å; T274-L302 HydrophobicContact CG2-CD2 4.4Å; T274-L303 PolarHBondContact N-O 3.44Å; T274-L303 PolarHBondContact OG1-O 3.46Å; T274-L303 VanDerWaalsContact OG1-O 3.04Å; T274-S304 WeakPolarHBondContact OG1-CA 3.49Å; T274-S304 PolarHBondContact OG1-N 2.97Å
275L93.9Very high96.5Very high13 Ų1334.6 Ų34.67%0.06818%0.176CC..SBendtrans-71.4108.2171.2-176.762.8000109.7Y91 C95 R277 Q278 S304Y91-L275 HydrophobicContact CD2-CD2 3.56Å; Y91-L275 HydrophobicContact CE2-CD2 3.72Å; C95-L275 HydrophobicContact CB-CG 4.36Å; L275-R277 PolarHBondContact O-N 3.42Å; L275-R277 VanDerWaalsContact O-N 3.08Å; L275-Q278 WeakPolarHBondContact O-CG 3.36Å; L275-Q278 PolarHBondContact O-N 3.21Å; L275-S304 VanDerWaalsContact CB-O 3.25Å; L275-S304 WeakPolarHBondContact CB-O 3.21Å
276G92.6Very high96.5Very high7 Ų736.4 Ų36.47%0.07218%0.184CC..THydrogen-bonded Turntrans52.9-110.7-174.100000112.6V96 T274V96-G276 WeakPolarHBondContact O-CA 3.49Å; T274-G276 PolarHBondContact O-N 2.58Å; T274-G276 VanDerWaalsContact O-N 3.15Å
277R92.3Very high96.5Very high59 Ų5931.2 Ų31.222%0.22316%0.16CC..THydrogen-bonded Turntrans-125.121.8-173-60.4-77.9-171.8143.91.1112.3C94 D98 I118 S122 L275C94-R277 CarbonylContact O-C 3.59Å; C94-R277 VanDerWaalsContact O-C 3.26Å; C94-R277 VanDerWaalsContact O-CA 3.29Å; C94-R277 WeakPolarHBondContact O-CA 3.24Å; C94-R277 WeakPolarHBondContact O-CB 3.47Å; C94-R277 PolarHBondContact O-N 2.84Å; D98-R277 IonicContact OD1-CZ 3.5Å; D98-R277 VanDerWaalsContact OD1-CZ 3.27Å; D98-R277 IonicContact OD1-NE 3.54Å; D98-R277 PolarHBondContact OD1-NE 2.95Å; D98-R277 IonicContact OD1-NH2 2.7Å; D98-R277 PolarHBondContact OD1-NH2 3.06Å; D98-R277 IonicContact OD2-CZ 2.8Å; D98-R277 IonicContact OD2-NH2 3.95Å; D98-R277 PolarHBondContact OD2-NH2 2.86Å; I118-R277 HydrophobicContact CD1-CB 3.58Å; I118-R277 HydrophobicContact CD1-CG 4.27Å; I118-R277 HydrophobicContact CG1-CB 3.79Å; I118-R277 HydrophobicContact CG1-CG 4.04Å; I118-R277 HydrophobicContact CG2-CG 4.06Å; S122-R277 PolarHBondContact O-NH1 3.25Å; S122-R277 PolarHBondContact O-NH2 3.38Å; L275-R277 PolarHBondContact O-N 3.42Å; L275-R277 VanDerWaalsContact O-N 3.08Å
278Q92.9Very high96.5Very high9 Ų927.2 Ų27.24%0.04215%0.146CC..  trans-63.7-41.6179.2-72.2-169.312.300112.7C94 C95 L275 A324C94-Q278 HydrophobicContact CB-CG 3.99Å; C94-Q278 PolarHBondContact O-N 3.33Å; C95-Q278 PolarHBondContact SG-NE2 2.93Å; L275-Q278 WeakPolarHBondContact O-CG 3.36Å; L275-Q278 PolarHBondContact O-N 3.21Å; Q278-A324 HydrophobicContact CB-CB 4.48Å
279G94.6Very high96.5Very high19 Ų1930.6 Ų30.620%0.19617%0.17CC..  trans-73.4146.9-179.300000113.5G273 I323G273-G279 VanDerWaalsContact O-CA 3.25Å; G273-G279 WeakPolarHBondContact O-CA 3.27Å; G273-G279 PolarHBondContact O-N 3.3Å; G273-G279 VanDerWaalsContact O-N 3.16Å; G279-I323 VanDerWaalsContact CA-O 3.3Å; G279-I323 WeakPolarHBondContact CA-O 3.42Å
280S95.6Very high96.4Very high13 Ų1332.8 Ų32.89%0.09118%0.179CC..  trans-121.5108.1174.1176.10000110.4K282 V283 L284S280-K282 PolarHBondContact O-N 2.8Å; S280-V283 PolarHBondContact O-N 3.42Å; S280-V283 WeakPolarHBondContact OG-CG2 3.26Å; S280-V283 PolarHBondContact OG-N 3Å; S280-L284 PolarHBondContact O-N 2.99Å
281P95.4Very high96.4Very high76 Ų7632.8 Ų32.849%0.49418%0.179SC..Hα-helixtrans-57.8-27.6174.1-2735.7000113.3Q285P281-Q285 WeakPolarHBondContact O-CB 3.49Å; P281-Q285 WeakPolarHBondContact O-CG 3.48Å; P281-Q285 PolarHBondContact O-N 2.77Å
282K96.1Very high96.4Very high103 Ų10338.4 Ų38.445%0.44821%0.205SC..Hα-helixtrans-72-45.1177.6-73.6-70.5-178.7-172.10112.5S280 L284 Q285 H286 N379S280-K282 PolarHBondContact O-N 2.8Å; K282-L284 VanDerWaalsContact C-N 3.28Å; K282-L284 PolarHBondContact O-N 3.27Å; K282-Q285 PolarHBondContact O-N 2.85Å; K282-H286 PolarHBondContact O-N 3.06Å; K282-N379 HydrophobicContact CB-CB 3.89Å; K282-N379 WeakPolarHBondContact CB-OD1 3.5Å
283V97.6Very high96.4Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-62.6-39.7173.1175.30000110.4S280 H286 L287 I323 P343S280-V283 PolarHBondContact O-N 3.42Å; S280-V283 WeakPolarHBondContact OG-CG2 3.26Å; S280-V283 PolarHBondContact OG-N 3Å; V283-H286 PolarHBondContact O-N 3.16Å; V283-L287 HydrophobicContact CG1-CD1 4.15Å; V283-L287 WeakPolarHBondContact O-CG 3.35Å; V283-L287 PolarHBondContact O-N 3.34Å; V283-I323 HydrophobicContact CB-CG2 3.9Å; V283-I323 HydrophobicContact CG1-CG1 4.13Å; V283-I323 HydrophobicContact CG1-CG2 3.85Å; V283-P343 HydrophobicContact CG1-CB 3.87Å; V283-P343 HydrophobicContact CG1-CG 4.12Å
284L98.2Very high96.4Very high17 Ų1744.9 Ų44.99%0.08925%0.245CC..Hα-helixtrans-59.3-53.1174177.966.8000111.3L270 L272 S280 K282 H286 L287 E288 I323L270-L284 HydrophobicContact CB-CD1 3.69Å; L270-L284 HydrophobicContact CD1-CD1 3.77Å; L270-L284 HydrophobicContact CG-CD1 4.35Å; L272-L284 HydrophobicContact CB-CD2 4.28Å; L272-L284 HydrophobicContact CD1-CB 4.34Å; L272-L284 HydrophobicContact CD1-CD2 4.44Å; L272-L284 HydrophobicContact CD2-CD2 4.04Å; L272-L284 HydrophobicContact CG-CD2 4.49Å; S280-L284 PolarHBondContact O-N 2.99Å; K282-L284 VanDerWaalsContact C-N 3.28Å; K282-L284 PolarHBondContact O-N 3.27Å; L284-H286 PolarHBondContact O-N 3.4Å; L284-L287 PolarHBondContact O-N 3.31Å; L284-L287 VanDerWaalsContact O-N 3.14Å; L284-E288 HydrophobicContact CD1-CG 4.24Å; L284-E288 WeakPolarHBondContact CD1-OE1 3.38Å; L284-E288 HydrophobicContact CG-CG 4.34Å; L284-E288 VanDerWaalsContact CG-OE1 3.26Å; L284-E288 WeakPolarHBondContact CG-OE1 3.32Å; L284-E288 VanDerWaalsContact O-CG 3.24Å; L284-E288 WeakPolarHBondContact O-CG 3.37Å; L284-E288 PolarHBondContact O-N 3.06Å; L284-I323 HydrophobicContact CD1-CD1 4.11Å
285Q97.8Very high96.6Very high95 Ų9544.9 Ų44.944%0.44426%0.259SS..Hα-helixtrans-55.9-39.4178.2-76.1166.87.100112.6P281 K282 S289P281-Q285 WeakPolarHBondContact O-CB 3.49Å; P281-Q285 WeakPolarHBondContact O-CG 3.48Å; P281-Q285 PolarHBondContact O-N 2.77Å; K282-Q285 PolarHBondContact O-N 2.85Å; Q285-S289 WeakPolarHBondContact O-CB 3.38Å; Q285-S289 PolarHBondContact O-N 2.88Å; Q285-S289 PolarHBondContact O-OG 3.36Å
286H97.4Very high96.8Very high41 Ų4145.8 Ų45.819%0.1926%0.262CS..Hα-helixtrans-62.9-49.5176.2171.770.5000111.8K282 V283 L284 E288 S289 K290 E352 P371K282-H286 PolarHBondContact O-N 3.06Å; V283-H286 PolarHBondContact O-N 3.16Å; L284-H286 PolarHBondContact O-N 3.4Å; H286-E288 VanDerWaalsContact C-N 3.35Å; H286-E288 PolarHBondContact O-N 3.02Å; H286-S289 PolarHBondContact O-N 2.95Å; H286-K290 PolarHBondContact O-N 2.99Å; H286-E352 IonicContact CE1-OE2 3.39Å; H286-E352 PolarHBondContact CE1-OE2 2.83Å; H286-E352 VanDerWaalsContact CE1-OE2 3.27Å; H286-E352 IonicContact NE2-OE1 3.38Å; H286-E352 IonicContact NE2-OE2 3.96Å; H286-E352 PolarHBondContact NE2-OE2 2.78Å; H286-P371 VanDerWaalsContact CE1-CG 3.43Å; H286-P371 WeakPolarHBondContact CE1-CG 3.38Å; H286-P371 WeakPolarHBondContact NE2-CG 3.44Å
287L98.3Very high97.1Very high1 Ų148.6 Ų48.61%0.00528%0.28CS..Hα-helixtrans-62.6-39.8177.4-72.7168.3000112.6L270 V283 L284 K290 L291 V321 I323 A346L270-L287 HydrophobicContact CD1-CB 4.47Å; L270-L287 HydrophobicContact CD2-CB 4.41Å; V283-L287 HydrophobicContact CG1-CD1 4.15Å; V283-L287 WeakPolarHBondContact O-CG 3.35Å; V283-L287 PolarHBondContact O-N 3.34Å; L284-L287 PolarHBondContact O-N 3.31Å; L284-L287 VanDerWaalsContact O-N 3.14Å; L287-K290 PolarHBondContact O-N 3.12Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.28Å; L287-L291 PolarHBondContact O-N 3.33Å; L287-V321 HydrophobicContact CD1-CG1 3.78Å; L287-I323 HydrophobicContact CD1-CD1 3.86Å; L287-I323 HydrophobicContact CD1-CG1 3.75Å; L287-A346 HydrophobicContact CD2-CB 4Å
288E98.4Very high97.4Very high17 Ų1747.8 Ų47.88%0.07928%0.279CS..Hα-helixtrans-59.3-52.7175-69.1175.9174.900110.9L270 L284 H286 K290 L291 E292 F298 R300L270-E288 HydrophobicContact CD1-CG 3.54Å; L284-E288 HydrophobicContact CD1-CG 4.24Å; L284-E288 WeakPolarHBondContact CD1-OE1 3.38Å; L284-E288 HydrophobicContact CG-CG 4.34Å; L284-E288 VanDerWaalsContact CG-OE1 3.26Å; L284-E288 WeakPolarHBondContact CG-OE1 3.32Å; L284-E288 VanDerWaalsContact O-CG 3.24Å; L284-E288 WeakPolarHBondContact O-CG 3.37Å; L284-E288 PolarHBondContact O-N 3.06Å; H286-E288 VanDerWaalsContact C-N 3.35Å; H286-E288 PolarHBondContact O-N 3.02Å; E288-K290 PolarHBondContact O-N 3.36Å; E288-L291 PolarHBondContact O-N 2.95Å; E288-L291 VanDerWaalsContact O-N 3.16Å; E288-E292 VanDerWaalsContact O-CG 3.3Å; E288-E292 WeakPolarHBondContact O-CG 3.4Å; E288-E292 PolarHBondContact O-N 3.42Å; E288-F298 HydrophobicContact CB-CE1 4.32Å; E288-F298 HydrophobicContact CB-CE2 4.18Å; E288-F298 HydrophobicContact CB-CZ 3.79Å; E288-F298 HydrophobicContact CG-CD2 4.21Å; E288-F298 HydrophobicContact CG-CE1 4.47Å; E288-F298 HydrophobicContact CG-CE2 3.52Å; E288-F298 HydrophobicContact CG-CZ 3.67Å; E288-R300 WeakPolarHBondContact OE1-CD 3.16Å; E288-R300 WeakPolarHBondContact OE1-CG 3.48Å; E288-R300 IonicContact OE1-CZ 3.58Å; E288-R300 IonicContact OE1-NE 2.82Å; E288-R300 PolarHBondContact OE1-NE 3.41Å; E288-R300 IonicContact OE1-NH2 2.75Å; E288-R300 PolarHBondContact OE1-NH2 3.27Å; E288-R300 IonicContact OE2-CZ 3.73Å; E288-R300 IonicContact OE2-NE 3.02Å; E288-R300 IonicContact OE2-NH2 3.26Å; E288-R300 PolarHBondContact OE2-NH2 3.44Å
289S97.9Very high97.6Very high72 Ų7251.1 Ų51.150%0.50330%0.3SS..Hα-helixtrans-56.6-40.6178.4-55.10000111.5Q285 H286 S293Q285-S289 WeakPolarHBondContact O-CB 3.38Å; Q285-S289 PolarHBondContact O-N 2.88Å; Q285-S289 PolarHBondContact O-OG 3.36Å; H286-S289 PolarHBondContact O-N 2.95Å; S289-S293 WeakPolarHBondContact O-CB 3.43Å; S289-S293 PolarHBondContact O-N 2.93Å
290K97.9Very high97.8Very high46 Ų4657.2 Ų57.220%0.232%0.317CS..Hα-helixtrans-65.6-49.8177.5-178.169.2-179.5-1690111.8H286 L287 E288 E292 S293 L294 L350 E352H286-K290 PolarHBondContact O-N 2.99Å; L287-K290 PolarHBondContact O-N 3.12Å; E288-K290 PolarHBondContact O-N 3.36Å; K290-E292 VanDerWaalsContact C-N 3.31Å; K290-E292 PolarHBondContact O-N 2.71Å; K290-S293 PolarHBondContact O-N 3.17Å; K290-S293 PolarHBondContact O-OG 3Å; K290-L294 HydrophobicContact CD-CD1 4.43Å; K290-L294 HydrophobicContact CG-CD1 4.27Å; K290-L294 WeakPolarHBondContact O-CG 3.31Å; K290-L294 PolarHBondContact O-N 2.87Å; K290-L350 WeakPolarHBondContact CE-O 3.42Å; K290-L350 HydrophobicContact CG-CB 4.12Å; K290-L350 HydrophobicContact CG-CD1 3.92Å; K290-E352 VanDerWaalsContact CD-CD 3.47Å; K290-E352 HydrophobicContact CD-CG 3.63Å; K290-E352 HydrophobicContact CG-CG 4.06Å; K290-E352 VanDerWaalsContact CG-OE1 3.26Å; K290-E352 WeakPolarHBondContact CG-OE1 3.24Å
291L98.5Very high97.9Very high0 Ų057.7 Ų57.70%032%0.319CS..Hα-helixtrans-60.9-41.6-179.4-74.1165.7000111.3W268 L270 L287 E288 L294 G295 K296 F298 L350W268-L291 HydrophobicContact CB-CD1 3.96Å; W268-L291 HydrophobicContact CB-CD2 4.22Å; W268-L291 HydrophobicContact CD2-CD2 3.74Å; W268-L291 HydrophobicContact CE3-CD2 4.39Å; W268-L291 HydrophobicContact CG-CD1 4.23Å; W268-L291 HydrophobicContact CG-CD2 3.62Å; L270-L291 HydrophobicContact CD1-CD1 4.03Å; L270-L291 HydrophobicContact CD2-CD1 3.8Å; L270-L291 HydrophobicContact CG-CD1 4.2Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 WeakPolarHBondContact O-CG 3.28Å; L287-L291 PolarHBondContact O-N 3.33Å; E288-L291 PolarHBondContact O-N 2.95Å; E288-L291 VanDerWaalsContact O-N 3.16Å; L291-L294 CarbonylContact O-C 3.6Å; L291-L294 PolarHBondContact O-N 2.92Å; L291-G295 PolarHBondContact O-N 3.31Å; L291-K296 HydrophobicContact CB-CB 4.37Å; L291-K296 HydrophobicContact CD2-CB 3.85Å; L291-K296 HydrophobicContact CD2-CD 3.9Å; L291-K296 PolarHBondContact O-N 3.31Å; L291-F298 HydrophobicContact CB-CD1 4.05Å; L291-F298 HydrophobicContact CD1-CB 3.98Å; L291-F298 HydrophobicContact CD1-CD1 4.39Å; L291-F298 HydrophobicContact CD1-CG 4.3Å; L291-L350 HydrophobicContact CD2-CD1 3.87Å; L291-L350 HydrophobicContact CD2-CD2 3.71Å; L291-L350 HydrophobicContact CD2-CG 4.46Å; L291-L350 HydrophobicContact CG-CD1 4.08Å
292E98.4Very high98Very high119 Ų11959.5 Ų59.556%0.55632%0.324SS*.Hα-helixtrans-60.4-45.8174.4-69.4174.9175.600111.8E288 K290 L294 G295 F298E288-E292 VanDerWaalsContact O-CG 3.3Å; E288-E292 WeakPolarHBondContact O-CG 3.4Å; E288-E292 PolarHBondContact O-N 3.42Å; K290-E292 VanDerWaalsContact C-N 3.31Å; K290-E292 PolarHBondContact O-N 2.71Å; E292-L294 PolarHBondContact O-N 3.26Å; E292-L294 VanDerWaalsContact O-N 3.17Å; E292-G295 PolarHBondContact O-N 3.31Å; E292-F298 HydrophobicContact CG-CE1 3.72Å; E292-F298 HydrophobicContact CG-CZ 4.48Å
293S98.1Very high98Very high87 Ų8755.5 Ų55.561%0.60831%0.307SS*.Hα-helixtrans-61.4-24.9178.4780000113.6S289 K290S289-S293 WeakPolarHBondContact O-CB 3.43Å; S289-S293 PolarHBondContact O-N 2.93Å; K290-S293 PolarHBondContact O-N 3.17Å; K290-S293 PolarHBondContact O-OG 3Å
294L98.1Very high97.8Very high81 Ų8158.7 Ų58.742%0.42433%0.33SS..THydrogen-bonded Turntrans-94.12.7177.3-66176000113.1K290 L291 E292 K296 L350K290-L294 HydrophobicContact CD-CD1 4.43Å; K290-L294 HydrophobicContact CG-CD1 4.27Å; K290-L294 WeakPolarHBondContact O-CG 3.31Å; K290-L294 PolarHBondContact O-N 2.87Å; L291-L294 CarbonylContact O-C 3.6Å; L291-L294 PolarHBondContact O-N 2.92Å; E292-L294 PolarHBondContact O-N 3.26Å; E292-L294 VanDerWaalsContact O-N 3.17Å; L294-K296 HydrophobicContact CB-CD 4.2Å; L294-K296 HydrophobicContact CB-CG 4.15Å; L294-K296 HydrophobicContact CD1-CD 4.41Å; L294-K296 PolarHBondContact O-N 2.92Å; L294-L350 HydrophobicContact CD1-CB 4.1Å; L294-L350 HydrophobicContact CD1-CD2 3.86Å
295G97.9Very high97.6Very high68 Ų6860.7 Ų60.770%0.70134%0.339SS*.THydrogen-bonded Turntrans66.122.2-176.500000113.9L291 E292L291-G295 PolarHBondContact O-N 3.31Å; E292-G295 PolarHBondContact O-N 3.31Å
296K98.3Very high97.5Very high32 Ų3256.8 Ų56.814%0.13932%0.321CS..  trans-92.3133.6179.6-67.3178.4175.2-62.30110A265 L291 L294 L350A265-K296 PolarHBondContact O-NZ 3.18Å; L291-K296 HydrophobicContact CB-CB 4.37Å; L291-K296 HydrophobicContact CD2-CB 3.85Å; L291-K296 HydrophobicContact CD2-CD 3.9Å; L291-K296 PolarHBondContact O-N 3.31Å; L294-K296 HydrophobicContact CB-CD 4.2Å; L294-K296 HydrophobicContact CB-CG 4.15Å; L294-K296 HydrophobicContact CD1-CD 4.41Å; L294-K296 PolarHBondContact O-N 2.92Å; K296-L350 HydrophobicContact CD-CD2 3.98Å
297S98.3Very high97.5Very high65 Ų6559.6 Ų59.646%0.45533%0.333SS..EExtended strand (participates in β ladder)trans-79.6147.7176.5640000111Q266 R267 W268Q266-S297 PolarHBondContact O-N 2.91Å; Q266-S297 VanDerWaalsContact O-N 3.08Å; Q266-S297 PolarHBondContact O-OG 2.93Å; R267-S297 WeakPolarHBondContact CG-OG 3.28Å; W268-S297 PolarHBondContact N-O 2.86Å
298F98.6Very high97.4Very high43 Ų4361.4 Ų61.419%0.18935%0.345CS..EExtended strand (participates in β ladder)trans-143.9156175.867.2-87.3000113.4W268 L270 E288 L291 E292 R300W268-F298 HydrophobicContact CB-CB 4.04Å; W268-F298 CarbonylContact O-C 3.48Å; W268-F298 WeakPolarHBondContact O-CA 3.43Å; W268-F298 WeakPolarHBondContact O-CB 3.4Å; L270-F298 HydrophobicContact CD1-CB 4.28Å; L270-F298 HydrophobicContact CD1-CD2 3.58Å; L270-F298 HydrophobicContact CD1-CE2 4.16Å; L270-F298 HydrophobicContact CD1-CG 3.98Å; L270-F298 HydrophobicContact CG-CB 4.26Å; L270-F298 HydrophobicContact CG-CD2 4.22Å; L270-F298 HydrophobicContact CG-CG 4.48Å; E288-F298 HydrophobicContact CB-CE1 4.32Å; E288-F298 HydrophobicContact CB-CE2 4.18Å; E288-F298 HydrophobicContact CB-CZ 3.79Å; E288-F298 HydrophobicContact CG-CD2 4.21Å; E288-F298 HydrophobicContact CG-CE1 4.47Å; E288-F298 HydrophobicContact CG-CE2 3.52Å; E288-F298 HydrophobicContact CG-CZ 3.67Å; L291-F298 HydrophobicContact CB-CD1 4.05Å; L291-F298 HydrophobicContact CD1-CB 3.98Å; L291-F298 HydrophobicContact CD1-CD1 4.39Å; L291-F298 HydrophobicContact CD1-CG 4.3Å; E292-F298 HydrophobicContact CG-CE1 3.72Å; E292-F298 HydrophobicContact CG-CZ 4.48Å; F298-R300 HydrophobicContact CD2-CG 4.44Å; F298-R300 HydrophobicContact CE2-CG 4.19Å
299T98.1Very high97.4Very high79 Ų7964.7 Ų64.749%0.48537%0.37SS..EExtended strand (participates in β ladder)trans-121.8131.3172.9-61.50000109.8W268 L270 V301W268-T299 PolarHBondContact O-N 2.85Å; L270-T299 PolarHBondContact N-O 2.8Å; T299-V301 HydrophobicContact CG2-CG2 4.27Å
300R98.3Very high97.3Very high146 Ų14666.2 Ų66.255%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-82.1131174-61.3166.1178.7125.64.4109.6E288 F298E288-R300 WeakPolarHBondContact OE1-CD 3.16Å; E288-R300 WeakPolarHBondContact OE1-CG 3.48Å; E288-R300 IonicContact OE1-CZ 3.58Å; E288-R300 IonicContact OE1-NE 2.82Å; E288-R300 PolarHBondContact OE1-NE 3.41Å; E288-R300 IonicContact OE1-NH2 2.75Å; E288-R300 PolarHBondContact OE1-NH2 3.27Å; E288-R300 IonicContact OE2-CZ 3.73Å; E288-R300 IonicContact OE2-NE 3.02Å; E288-R300 IonicContact OE2-NH2 3.26Å; E288-R300 PolarHBondContact OE2-NH2 3.44Å; F298-R300 HydrophobicContact CD2-CG 4.44Å; F298-R300 HydrophobicContact CE2-CG 4.19Å
301V97.9Very high97.3Very high23 Ų2364.3 Ų64.314%0.13936%0.359CS..EExtended strand (participates in β ladder)trans-130126.9176.3-1720000108.9L270 I271 L272 T299 L303 I314 W320L270-V301 PolarHBondContact O-N 2.84Å; I271-V301 CarbonylContact C-O 3.07Å; I271-V301 VanDerWaalsContact CA-O 3.26Å; I271-V301 WeakPolarHBondContact CA-O 3.31Å; L272-V301 PolarHBondContact N-O 3.37Å; T299-V301 HydrophobicContact CG2-CG2 4.27Å; V301-L303 HydrophobicContact CG1-CD1 4.25Å; V301-L303 HydrophobicContact CG1-CD2 4.4Å; V301-L303 HydrophobicContact CG1-CG 4Å; V301-I314 HydrophobicContact CG2-CD1 4.37Å; V301-W320 HydrophobicContact CB-CZ3 4.42Å; V301-W320 HydrophobicContact CG2-CH2 4.17Å; V301-W320 HydrophobicContact CG2-CZ3 3.8Å
302L97.4Very high97.2Very high114 Ų11468 Ų6860%0.59738%0.379SS*.EExtended strand (participates in β ladder)trans-98.4125.5175.7-56.9-173.6000108.9L272 T274L272-L302 HydrophobicContact CB-CD2 3.66Å; L272-L302 HydrophobicContact CD2-CD2 3.8Å; L272-L302 HydrophobicContact CG-CD2 4.18Å; T274-L302 HydrophobicContact CG2-CB 3.9Å; T274-L302 HydrophobicContact CG2-CD2 4.4Å
303L96.5Very high97.2Very high19 Ų1968.5 Ų68.510%0.09939%0.385CS..EExtended strand (participates in β ladder)trans-139.2137178.5-68.1175000110I271 L272 G273 T274 V301 V306 K310 L311I271-L303 HydrophobicContact CG2-CB 4.14Å; I271-L303 HydrophobicContact CG2-CD1 4.04Å; I271-L303 HydrophobicContact CG2-CG 4.33Å; L272-L303 PolarHBondContact O-N 3.48Å; G273-L303 CarbonylContact C-O 3.53Å; G273-L303 WeakPolarHBondContact CA-O 3.37Å; T274-L303 PolarHBondContact N-O 3.44Å; T274-L303 PolarHBondContact OG1-O 3.46Å; T274-L303 VanDerWaalsContact OG1-O 3.04Å; V301-L303 HydrophobicContact CG1-CD1 4.25Å; V301-L303 HydrophobicContact CG1-CD2 4.4Å; V301-L303 HydrophobicContact CG1-CG 4Å; L303-V306 HydrophobicContact CB-CG2 4.34Å; L303-V306 HydrophobicContact CD1-CG2 4.36Å; L303-K310 HydrophobicContact CD1-CG 4.5Å; L303-K310 HydrophobicContact CD2-CG 4.1Å; L303-L311 HydrophobicContact CD1-CD2 3.85Å
304S93.5Very high97.1Very high67 Ų6767.1 Ų67.147%0.46937%0.37SS..SBendtrans-73.6-50.5168.548.80000109T274 L275T274-S304 WeakPolarHBondContact OG1-CA 3.49Å; T274-S304 PolarHBondContact OG1-N 2.97Å; L275-S304 VanDerWaalsContact CB-O 3.25Å; L275-S304 WeakPolarHBondContact CB-O 3.21Å
305E94.4Very high97.1Very high59 Ų5967.4 Ų67.428%0.27638%0.377SS..SBendtrans-121.5141.2177.1-63.1-171.594.500111.2Y91 F307Y91-E305 PolarHBondContact OH-OE1 2.88Å; E305-F307 HydrophobicContact CB-CD2 4.16Å; E305-F307 HydrophobicContact CB-CE1 4.44Å; E305-F307 HydrophobicContact CB-CE2 3.35Å; E305-F307 HydrophobicContact CB-CZ 3.51Å; E305-F307 HydrophobicContact CG-CE2 4.38Å; E305-F307 HydrophobicContact CG-CZ 4.24Å
306V95.9Very high97Very high14 Ų1469.2 Ų69.29%0.08537%0.37CS..  trans-107.4107.5-174.8-174.90000109.3I271 L303 L311 L328 F336I271-V306 HydrophobicContact CD1-CG1 4.04Å; I271-V306 HydrophobicContact CG2-CG2 3.95Å; L303-V306 HydrophobicContact CB-CG2 4.34Å; L303-V306 HydrophobicContact CD1-CG2 4.36Å; V306-L311 HydrophobicContact CG1-CD1 4.03Å; V306-L311 HydrophobicContact CG1-CG 4.46Å; V306-L328 HydrophobicContact CB-CD1 4.04Å; V306-L328 HydrophobicContact CG2-CD1 4.04Å; V306-F336 HydrophobicContact CG1-CE1 4.02Å; V306-F336 HydrophobicContact CG1-CZ 4.12Å
307F96.3Very high97Very high99 Ų9967.9 Ų67.943%0.43437%0.365SS..  trans-114.7143.1-179.5-58.8-69.1000111.6E305 S309 K310 L311E305-F307 HydrophobicContact CB-CD2 4.16Å; E305-F307 HydrophobicContact CB-CE1 4.44Å; E305-F307 HydrophobicContact CB-CE2 3.35Å; E305-F307 HydrophobicContact CB-CZ 3.51Å; E305-F307 HydrophobicContact CG-CE2 4.38Å; E305-F307 HydrophobicContact CG-CZ 4.24Å; F307-S309 PolarHBondContact O-N 3.25Å; F307-K310 HydrophobicContact CB-CB 4.27Å; F307-K310 WeakPolarHBondContact O-CB 3.23Å; F307-K310 PolarHBondContact O-N 3.43Å; F307-K310 VanDerWaalsContact O-N 3.09Å; F307-L311 PolarHBondContact O-N 3.02Å
308P97.2Very high97Very high39 Ų3966.7 Ų66.725%0.25335%0.354SS..Hα-helixtrans-53.3-49.6176.5-28.335.3000113.3K310 L311 D312 A335 F336P308-K310 PolarHBondContact O-N 2.66Å; P308-K310 VanDerWaalsContact O-N 3.13Å; P308-L311 PolarHBondContact O-N 3.25Å; P308-D312 PolarHBondContact O-N 2.89Å; P308-A335 WeakPolarHBondContact CB-O 3.44Å; P308-A335 HydrophobicContact CG-CB 4.01Å; P308-F336 HydrophobicContact CB-CD1 4.04Å; P308-F336 HydrophobicContact CB-CE1 4.2Å; P308-F336 HydrophobicContact CG-CD1 4.01Å; P308-F336 HydrophobicContact CG-CD2 4.42Å; P308-F336 HydrophobicContact CG-CE1 3.83Å; P308-F336 HydrophobicContact CG-CE2 4.23Å; P308-F336 HydrophobicContact CG-CG 4.31Å; P308-F336 HydrophobicContact CG-CZ 3.94Å
309S97.1Very high97Very high87 Ų8764.7 Ų64.761%0.60835%0.345SS*.Hα-helixtrans-60.1-27.5-18057.80000113.5F307F307-S309 PolarHBondContact O-N 3.25Å
310K96.9Very high97.1Very high104 Ų10461 Ų6145%0.45232%0.322SS..Hα-helixtrans-74.5-41176.4-175.465.4175.5-173.90111.4L303 F307 P308 L313L303-K310 HydrophobicContact CD1-CG 4.5Å; L303-K310 HydrophobicContact CD2-CG 4.1Å; F307-K310 HydrophobicContact CB-CB 4.27Å; F307-K310 WeakPolarHBondContact O-CB 3.23Å; F307-K310 PolarHBondContact O-N 3.43Å; F307-K310 VanDerWaalsContact O-N 3.09Å; P308-K310 PolarHBondContact O-N 2.66Å; P308-K310 VanDerWaalsContact O-N 3.13Å; K310-L313 HydrophobicContact CD-CD1 4.49Å; K310-L313 PolarHBondContact O-N 2.92Å
311L97.8Very high97.1Very high5 Ų554.1 Ų54.13%0.02630%0.296CS..Hα-helixtrans-73.6-30.9179.8-60-168000112.1I271 L303 V306 F307 P308 L313 I314 W320 F336 L340I271-L311 HydrophobicContact CD1-CD1 3.7Å; I271-L311 HydrophobicContact CD1-CD2 3.8Å; I271-L311 HydrophobicContact CD1-CG 4.43Å; L303-L311 HydrophobicContact CD1-CD2 3.85Å; V306-L311 HydrophobicContact CG1-CD1 4.03Å; V306-L311 HydrophobicContact CG1-CG 4.46Å; F307-L311 PolarHBondContact O-N 3.02Å; P308-L311 PolarHBondContact O-N 3.25Å; L311-L313 PolarHBondContact O-N 3.43Å; L311-L313 VanDerWaalsContact O-N 3.17Å; L311-I314 PolarHBondContact O-N 2.82Å; L311-W320 HydrophobicContact CB-CZ2 4.11Å; L311-W320 HydrophobicContact CD1-CD2 3.95Å; L311-W320 HydrophobicContact CD1-CG 3.91Å; L311-W320 HydrophobicContact CD2-CD2 4.34Å; L311-W320 HydrophobicContact CD2-CE3 4.37Å; L311-W320 HydrophobicContact CD2-CH2 4.14Å; L311-W320 HydrophobicContact CD2-CZ2 4.1Å; L311-W320 HydrophobicContact CD2-CZ3 4.27Å; L311-F336 HydrophobicContact CD1-CD1 3.69Å; L311-F336 HydrophobicContact CD1-CE1 3.69Å; L311-F336 HydrophobicContact CG-CD1 4.38Å; L311-F336 HydrophobicContact CG-CE1 4.27Å; L311-L340 HydrophobicContact CD1-CD1 4.34Å
312D97.4Very high97.1Very high79 Ų7953 Ų5342%0.42229%0.29SS..THydrogen-bonded Turntrans-61-22.3175.3-71.9-21.7000113.3P308 I314 S337P308-D312 PolarHBondContact O-N 2.89Å; D312-I314 PolarHBondContact O-N 2.87Å; D312-S337 VanDerWaalsContact OD1-CB 3.29Å; D312-S337 WeakPolarHBondContact OD1-CB 3.41Å; D312-S337 PolarHBondContact OD1-OG 2.92Å
313L97.3Very high97.1Very high129 Ų12947.6 Ų47.668%0.67526%0.261SS*.THydrogen-bonded Turntrans-72.7-6.7174.4-60.8173.5000113.3K310 L311 P315K310-L313 HydrophobicContact CD-CD1 4.49Å; K310-L313 PolarHBondContact O-N 2.92Å; L311-L313 PolarHBondContact O-N 3.43Å; L311-L313 VanDerWaalsContact O-N 3.17Å; L313-P315 WeakPolarHBondContact O-CD 3.29Å
314I97.1Very high97.1Very high58 Ų5846.8 Ų46.830%0.29726%0.257SS..  trans-122.367.5180-47.1171.7000108.6V301 L311 D312 D316 V317 W320V301-I314 HydrophobicContact CG2-CD1 4.37Å; L311-I314 PolarHBondContact O-N 2.82Å; D312-I314 PolarHBondContact O-N 2.87Å; I314-D316 PolarHBondContact O-N 3.03Å; I314-V317 HydrophobicContact CG2-CG2 3.99Å; I314-V317 PolarHBondContact O-N 3.26Å; I314-W320 HydrophobicContact CB-CH2 4.05Å; I314-W320 HydrophobicContact CB-CZ2 3.99Å; I314-W320 HydrophobicContact CD1-CH2 3.87Å; I314-W320 HydrophobicContact CD1-CZ2 4.49Å; I314-W320 HydrophobicContact CG2-CH2 4.12Å; I314-W320 HydrophobicContact CG2-CZ2 4.34Å
315P96.1Very high97.2Very high86 Ų8645.1 Ų45.156%0.55825%0.245SC*.THydrogen-bonded Turntrans-70.4-15-169.529.9-37.9000114.2L313 V317L313-P315 WeakPolarHBondContact O-CD 3.29Å; P315-V317 PolarHBondContact O-N 3.29Å
316D96.8Very high97.3Very high106 Ų10642.8 Ų42.857%0.56724%0.235SC*.THydrogen-bonded Turntrans-73-9.1178.4-76.7-45.4000114R267 I314R267-D316 WeakPolarHBondContact CB-O 3.45Å; R267-D316 WeakPolarHBondContact CD-O 3.34Å; R267-D316 IonicContact CZ-OD1 3.85Å; R267-D316 PolarHBondContact NE-O 3.05Å; R267-D316 PolarHBondContact NH1-O 3.11Å; R267-D316 IonicContact NH1-OD1 3.84Å; R267-D316 PolarHBondContact NH1-OD1 3Å; R267-D316 PolarHBondContact NH2-O 3.31Å; I314-D316 PolarHBondContact O-N 3.03Å
317V98.2Very high97.3Very high5 Ų542.4 Ų42.43%0.0323%0.232CC..  trans-83.7129.1172.6172.40000110.1I314 P315 A319 W320I314-V317 HydrophobicContact CG2-CG2 3.99Å; I314-V317 PolarHBondContact O-N 3.26Å; P315-V317 PolarHBondContact O-N 3.29Å; V317-A319 WeakPolarHBondContact CG1-O 3.29Å; V317-W320 HydrophobicContact CB-CD2 4.4Å; V317-W320 HydrophobicContact CB-CH2 4.05Å; V317-W320 HydrophobicContact CB-CZ2 3.59Å; V317-W320 HydrophobicContact CG1-CD2 3.67Å; V317-W320 HydrophobicContact CG1-CE3 4.11Å; V317-W320 HydrophobicContact CG1-CG 4.09Å; V317-W320 HydrophobicContact CG1-CH2 4.24Å; V317-W320 HydrophobicContact CG1-CZ2 3.82Å; V317-W320 HydrophobicContact CG1-CZ3 4.37Å; V317-W320 HydrophobicContact CG2-CH2 3.64Å; V317-W320 HydrophobicContact CG2-CZ2 3.72Å; V317-W320 HydrophobicContact CG2-CZ3 4.17Å
318D98.5Very high97.3Very high40 Ų4039.3 Ų39.321%0.21422%0.22CC..SBendtrans-85.6-36.5178.9-54.2-34000111.3A265 Q266 R267 P339A265-D318 HydrophobicContact CB-CB 3.64Å; Q266-D318 PolarHBondContact N-OD2 2.97Å; R267-D318 IonicContact CZ-OD1 2.97Å; R267-D318 PolarHBondContact N-OD2 2.83Å; R267-D318 IonicContact NE-OD1 2.83Å; R267-D318 PolarHBondContact NE-OD1 3.38Å; R267-D318 IonicContact NE-OD2 3.57Å; R267-D318 IonicContact NH2-OD1 3.1Å; R267-D318 PolarHBondContact NH2-OD1 3.09Å; R267-D318 WeakPolarHBondContact O-CB 3.38Å; R267-D318 PolarHBondContact O-N 3.33Å; D318-P339 WeakPolarHBondContact O-CD 3.4Å
319A98.8Very high97.3Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-147.8143.3178.600000112.1A262 A265 W268 G269 V317 P339A262-A319 HydrophobicContact CB-CB 3.82Å; A265-A319 HydrophobicContact CB-CB 3.67Å; W268-A319 WeakPolarHBondContact CA-O 3.38Å; W268-A319 HydrophobicContact CD2-CB 4.45Å; W268-A319 HydrophobicContact CE3-CB 4.26Å; W268-A319 HydrophobicContact CZ3-CB 4.32Å; G269-A319 PolarHBondContact N-O 2.97Å; V317-A319 WeakPolarHBondContact CG1-O 3.29Å; A319-P339 HydrophobicContact CB-CG 3.8Å
320W98.8Very high97.3Very high3 Ų334 Ų341%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-106.5140.8179.3-65.7101.6000111.5G269 I271 V301 L311 I314 V317 P339 L340 L341G269-W320 VanDerWaalsContact CA-CE3 3.47Å; G269-W320 CarbonylContact O-C 3.53Å; G269-W320 WeakPolarHBondContact O-CA 3.4Å; I271-W320 HydrophobicContact CD1-CB 4.36Å; I271-W320 HydrophobicContact CD1-CD2 4.17Å; I271-W320 HydrophobicContact CD1-CE3 3.67Å; I271-W320 HydrophobicContact CD1-CG 4.49Å; I271-W320 HydrophobicContact CD1-CZ3 4.33Å; I271-W320 HydrophobicContact CG1-CE3 3.61Å; I271-W320 HydrophobicContact CG1-CZ3 3.97Å; V301-W320 HydrophobicContact CB-CZ3 4.42Å; V301-W320 HydrophobicContact CG2-CH2 4.17Å; V301-W320 HydrophobicContact CG2-CZ3 3.8Å; L311-W320 HydrophobicContact CB-CZ2 4.11Å; L311-W320 HydrophobicContact CD1-CD2 3.95Å; L311-W320 HydrophobicContact CD1-CG 3.91Å; L311-W320 HydrophobicContact CD2-CD2 4.34Å; L311-W320 HydrophobicContact CD2-CE3 4.37Å; L311-W320 HydrophobicContact CD2-CH2 4.14Å; L311-W320 HydrophobicContact CD2-CZ2 4.1Å; L311-W320 HydrophobicContact CD2-CZ3 4.27Å; I314-W320 HydrophobicContact CB-CH2 4.05Å; I314-W320 HydrophobicContact CB-CZ2 3.99Å; I314-W320 HydrophobicContact CD1-CH2 3.87Å; I314-W320 HydrophobicContact CD1-CZ2 4.49Å; I314-W320 HydrophobicContact CG2-CH2 4.12Å; I314-W320 HydrophobicContact CG2-CZ2 4.34Å; V317-W320 HydrophobicContact CB-CD2 4.4Å; V317-W320 HydrophobicContact CB-CH2 4.05Å; V317-W320 HydrophobicContact CB-CZ2 3.59Å; V317-W320 HydrophobicContact CG1-CD2 3.67Å; V317-W320 HydrophobicContact CG1-CE3 4.11Å; V317-W320 HydrophobicContact CG1-CG 4.09Å; V317-W320 HydrophobicContact CG1-CH2 4.24Å; V317-W320 HydrophobicContact CG1-CZ2 3.82Å; V317-W320 HydrophobicContact CG1-CZ3 4.37Å; V317-W320 HydrophobicContact CG2-CH2 3.64Å; V317-W320 HydrophobicContact CG2-CZ2 3.72Å; V317-W320 HydrophobicContact CG2-CZ3 4.17Å; W320-P339 PolarHBondContact N-O 2.98Å; W320-L340 HydrophobicContact CB-CD1 3.52Å; W320-L340 HydrophobicContact CG-CD1 4.44Å; W320-L341 PolarHBondContact O-N 3.33Å
321V98.7Very high97.2Very high1 Ų131.7 Ų31.71%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-118123.6164.8-173.40000107.6W268 G269 L270 I271 L287 I323 L341 A346W268-V321 HydrophobicContact CE3-CG2 3.61Å; W268-V321 HydrophobicContact CZ3-CG2 3.6Å; G269-V321 PolarHBondContact O-N 2.83Å; L270-V321 HydrophobicContact CD2-CB 3.97Å; L270-V321 HydrophobicContact CD2-CG2 4.17Å; I271-V321 PolarHBondContact N-O 2.83Å; L287-V321 HydrophobicContact CD1-CG1 3.78Å; V321-I323 HydrophobicContact CG1-CD1 4.39Å; V321-L341 WeakPolarHBondContact CA-O 3.2Å; V321-L341 HydrophobicContact CG2-CB 4.48Å; V321-A346 HydrophobicContact CB-CB 4.3Å; V321-A346 HydrophobicContact CG1-CB 3.69Å; V321-A346 HydrophobicContact CG2-CB 3.56Å
322Q98.1Very high97.1Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-98119.8172.962.479.324.800110.7I271 A324 C325 L328 S329 L340 L341 P343I271-Q322 HydrophobicContact CB-CB 4.37Å; I271-Q322 HydrophobicContact CD1-CB 4.49Å; Q322-A324 VanDerWaalsContact C-N 3.35Å; Q322-A324 PolarHBondContact O-N 2.91Å; Q322-A324 VanDerWaalsContact OE1-C 3.25Å; Q322-C325 PolarHBondContact NE2-O 3.21Å; Q322-C325 VanDerWaalsContact NE2-O 3.08Å; Q322-C325 PolarHBondContact OE1-O 2.96Å; Q322-C325 VanDerWaalsContact OE1-O 3.11Å; Q322-L328 HydrophobicContact CG-CB 4.41Å; Q322-S329 PolarHBondContact NE2-OG 2.88Å; Q322-L340 HydrophobicContact CB-CD1 4.04Å; Q322-L340 HydrophobicContact CG-CD1 4.02Å; Q322-L340 HydrophobicContact CG-CD2 4.35Å; Q322-L340 HydrophobicContact CG-CG 4.14Å; Q322-L341 PolarHBondContact N-O 2.78Å; Q322-P343 VanDerWaalsContact O-CD 3.26Å; Q322-P343 WeakPolarHBondContact O-CD 3.49Å; Q322-P343 WeakPolarHBondContact O-CG 3.28Å
323I98.1Very high97Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-97.769168.4-50.586.7000106.3L270 I271 L272 G273 G279 V283 L284 L287 V321 P343L270-I323 HydrophobicContact CB-CD1 4.39Å; I271-I323 VanDerWaalsContact O-CD1 3.22Å; I271-I323 WeakPolarHBondContact O-CD1 3.06Å; I271-I323 PolarHBondContact O-N 2.68Å; L272-I323 HydrophobicContact CD1-CB 4.36Å; L272-I323 HydrophobicContact CD1-CG2 4.26Å; G273-I323 PolarHBondContact N-O 3.08Å; G279-I323 VanDerWaalsContact CA-O 3.3Å; G279-I323 WeakPolarHBondContact CA-O 3.42Å; V283-I323 HydrophobicContact CB-CG2 3.9Å; V283-I323 HydrophobicContact CG1-CG1 4.13Å; V283-I323 HydrophobicContact CG1-CG2 3.85Å; L284-I323 HydrophobicContact CD1-CD1 4.11Å; L287-I323 HydrophobicContact CD1-CD1 3.86Å; L287-I323 HydrophobicContact CD1-CG1 3.75Å; V321-I323 HydrophobicContact CG1-CD1 4.39Å; I323-P343 HydrophobicContact CG1-CG 4.34Å
324A96.3Very high96.9Very high2 Ų235 Ų352%0.01719%0.188CC..SBendtrans-148.6-128-179.100000109.5Q278 Q322 P326 L328 F363Q278-A324 HydrophobicContact CB-CB 4.48Å; Q322-A324 VanDerWaalsContact C-N 3.35Å; Q322-A324 PolarHBondContact O-N 2.91Å; Q322-A324 VanDerWaalsContact OE1-C 3.25Å; A324-P326 WeakPolarHBondContact O-CD 3.33Å; A324-L328 HydrophobicContact CB-CD1 4.44Å; A324-F363 VanDerWaalsContact O-CE1 3.26Å; A324-F363 WeakPolarHBondContact O-CE1 3.47Å; A324-F363 VanDerWaalsContact O-CZ 3.27Å; A324-F363 WeakPolarHBondContact O-CZ 3.36Å
325C96.6Very high96.9Very high31 Ų3134.8 Ų34.821%0.20920%0.195CC..  trans-78.4116.8174.5-1780000112.1Q322 R327 L328Q322-C325 PolarHBondContact NE2-O 3.21Å; Q322-C325 VanDerWaalsContact NE2-O 3.08Å; Q322-C325 PolarHBondContact OE1-O 2.96Å; Q322-C325 VanDerWaalsContact OE1-O 3.11Å; C325-R327 PolarHBondContact O-N 3.41Å; C325-L328 HydrophobicContact CB-CD1 4.17Å; C325-L328 HydrophobicContact CB-CG 4.21Å; C325-L328 WeakPolarHBondContact O-CB 3.43Å; C325-L328 WeakPolarHBondContact O-CG 3.46Å; C325-L328 PolarHBondContact O-N 3.31Å
326P95.4Very high97Very high10 Ų1031.6 Ų31.67%0.06517%0.172CC..THydrogen-bonded Turntrans-55.7-27.2179-28.337.1000115C197 A324 L328 S329 I330 F363C197-P326 HydrophobicContact CB-CB 4.36Å; C197-P326 HydrophobicContact CB-CG 3.86Å; A324-P326 WeakPolarHBondContact O-CD 3.33Å; P326-L328 PolarHBondContact O-N 3.03Å; P326-S329 PolarHBondContact O-N 2.66Å; P326-I330 PolarHBondContact O-N 2.93Å; P326-F363 HydrophobicContact CG-CB 3.73Å; P326-F363 HydrophobicContact CG-CD1 3.59Å; P326-F363 HydrophobicContact CG-CD2 3.54Å; P326-F363 HydrophobicContact CG-CE1 4Å; P326-F363 HydrophobicContact CG-CE2 3.96Å; P326-F363 HydrophobicContact CG-CG 3.34Å; P326-F363 HydrophobicContact CG-CZ 4.16Å
327R96.1Very high97Very high6 Ų630.2 Ų30.22%0.02317%0.171CC..Hα-helixtrans-69.3-18.4-179.2-68.7-68.7-62.4-97.26.4113.6G196 F217 E220 C325 S329 I330 D331G196-R327 VanDerWaalsContact O-CD 3.29Å; G196-R327 WeakPolarHBondContact O-CD 3.2Å; G196-R327 WeakPolarHBondContact O-CG 3.34Å; F217-R327 HydrophobicContact CE2-CB 3.68Å; F217-R327 HydrophobicContact CE2-CG 3.58Å; F217-R327 HydrophobicContact CZ-CB 3.95Å; F217-R327 HydrophobicContact CZ-CG 3.62Å; F217-R327 PolarHBondContact O-NH1 2.88Å; E220-R327 IonicContact OE2-NH2 2.7Å; E220-R327 PolarHBondContact OE2-NH2 3.16Å; C325-R327 PolarHBondContact O-N 3.41Å; R327-S329 VanDerWaalsContact C-N 3.3Å; R327-S329 PolarHBondContact O-N 3.08Å; R327-I330 PolarHBondContact O-N 3.34Å; R327-D331 IonicContact CZ-OD1 3.56Å; R327-D331 IonicContact CZ-OD2 3.43Å; R327-D331 IonicContact NE-OD1 3.36Å; R327-D331 PolarHBondContact NE-OD1 3.42Å; R327-D331 IonicContact NE-OD2 3.48Å; R327-D331 PolarHBondContact NE-OD2 3.3Å; R327-D331 VanDerWaalsContact NH2-CG 3.25Å; R327-D331 IonicContact NH2-OD1 3.42Å; R327-D331 PolarHBondContact NH2-OD1 2.75Å; R327-D331 IonicContact NH2-OD2 3.79Å; R327-D331 PolarHBondContact NH2-OD2 2.87Å; R327-D331 WeakPolarHBondContact O-CB 3.5Å; R327-D331 PolarHBondContact O-N 3.41Å
328L96.9Very high97Very high34 Ų3433.5 Ų33.518%0.17819%0.185CC..Hα-helixtrans-58.8-42.8170.5-68.6167000111.6V306 Q322 A324 C325 P326 W332 G333 L340V306-L328 HydrophobicContact CB-CD1 4.04Å; V306-L328 HydrophobicContact CG2-CD1 4.04Å; Q322-L328 HydrophobicContact CG-CB 4.41Å; A324-L328 HydrophobicContact CB-CD1 4.44Å; C325-L328 HydrophobicContact CB-CD1 4.17Å; C325-L328 HydrophobicContact CB-CG 4.21Å; C325-L328 WeakPolarHBondContact O-CB 3.43Å; C325-L328 WeakPolarHBondContact O-CG 3.46Å; C325-L328 PolarHBondContact O-N 3.31Å; P326-L328 PolarHBondContact O-N 3.03Å; L328-W332 CarbonylContact O-C 3.55Å; L328-W332 WeakPolarHBondContact O-CA 3.27Å; L328-W332 WeakPolarHBondContact O-CB 3.31Å; L328-W332 PolarHBondContact O-N 2.87Å; L328-W332 VanDerWaalsContact O-N 3.16Å; L328-G333 PolarHBondContact O-N 3.04Å; L328-G333 VanDerWaalsContact O-N 3.11Å; L328-L340 HydrophobicContact CB-CD2 4.33Å
329S97.1Very high97Very high0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-73.7-41.6178.7-53.10000111.6R255 Q322 P326 R327 G333 L341 S342R255-S329 VanDerWaalsContact CZ-O 3.29Å; R255-S329 PolarHBondContact NH1-O 3.07Å; Q322-S329 PolarHBondContact NE2-OG 2.88Å; P326-S329 PolarHBondContact O-N 2.66Å; R327-S329 VanDerWaalsContact C-N 3.3Å; R327-S329 PolarHBondContact O-N 3.08Å; S329-G333 WeakPolarHBondContact O-CA 3.49Å; S329-G333 PolarHBondContact O-N 2.66Å; S329-L341 PolarHBondContact OG-O 3.19Å; S329-S342 PolarHBondContact OG-N 3.16Å; S329-S342 VanDerWaalsContact OG-N 3.07Å
330I96.6Very high97Very high16 Ų1631.9 Ų31.98%0.08218%0.177CC..Hα-helixtrans-70.6-50.4-175.7-61.2172.3000111.5I224 M251 P326 R327 Y359 M361I224-I330 HydrophobicContact CD1-CG2 4.28Å; M251-I330 HydrophobicContact CG-CG2 4.05Å; P326-I330 PolarHBondContact O-N 2.93Å; R327-I330 PolarHBondContact O-N 3.34Å; I330-Y359 HydrophobicContact CD1-CD1 4.3Å; I330-Y359 HydrophobicContact CD1-CE1 3.63Å; I330-Y359 HydrophobicContact CG1-CE1 4.27Å; I330-M361 HydrophobicContact CD1-CE 4.29Å; I330-M361 HydrophobicContact CD1-SD 3.97Å
331D95.4Very high97Very high55 Ų5531.8 Ų31.829%0.29418%0.176SC..Hα-helixtrans-91.6-34.8-171.2-56.3-24.7000112.7R327R327-D331 IonicContact CZ-OD1 3.56Å; R327-D331 IonicContact CZ-OD2 3.43Å; R327-D331 IonicContact NE-OD1 3.36Å; R327-D331 PolarHBondContact NE-OD1 3.42Å; R327-D331 IonicContact NE-OD2 3.48Å; R327-D331 PolarHBondContact NE-OD2 3.3Å; R327-D331 VanDerWaalsContact NH2-CG 3.25Å; R327-D331 IonicContact NH2-OD1 3.42Å; R327-D331 PolarHBondContact NH2-OD1 2.75Å; R327-D331 IonicContact NH2-OD2 3.79Å; R327-D331 PolarHBondContact NH2-OD2 2.87Å; R327-D331 WeakPolarHBondContact O-CB 3.5Å; R327-D331 PolarHBondContact O-N 3.41Å
332W95.3Very high97Very high161 Ų16131.9 Ų31.961%0.6118%0.177SC*.Hα-helixtrans-112.8-2.2-171.6-59.391.5000113.3L328 T334 A335 F336L328-W332 CarbonylContact O-C 3.55Å; L328-W332 WeakPolarHBondContact O-CA 3.27Å; L328-W332 WeakPolarHBondContact O-CB 3.31Å; L328-W332 PolarHBondContact O-N 2.87Å; L328-W332 VanDerWaalsContact O-N 3.16Å; W332-T334 PolarHBondContact O-N 2.95Å; W332-A335 VanDerWaalsContact O-CB 3.27Å; W332-A335 WeakPolarHBondContact O-CB 3.29Å; W332-A335 PolarHBondContact O-N 3.26Å; W332-F336 HydrophobicContact CB-CE2 4.09Å; W332-F336 WeakPolarHBondContact O-CD2 3.39Å; W332-F336 WeakPolarHBondContact O-CE2 3.28Å
333G94.9Very high97Very high10 Ų1031.9 Ų31.910%0.10318%0.177CC..G310 helixtrans-56-31.8-172.400000114.5L328 S329 A335 F336L328-G333 PolarHBondContact O-N 3.04Å; L328-G333 VanDerWaalsContact O-N 3.11Å; S329-G333 WeakPolarHBondContact O-CA 3.49Å; S329-G333 PolarHBondContact O-N 2.66Å; G333-A335 VanDerWaalsContact C-N 3.3Å; G333-A335 PolarHBondContact O-N 3.39Å; G333-F336 PolarHBondContact O-N 2.99Å
334T96Very high97Very high111 Ų11132.3 Ų32.368%0.68118%0.179SC*.G310 helixtrans-76.3-14.5177.8550000114T254 W332T254-T334 HydrophobicContact CG2-CG2 3.29Å; W332-T334 PolarHBondContact O-N 2.95Å
335A97.1Very high97.1Very high54 Ų5432.2 Ų32.245%0.44618%0.178SC..G310 helixtrans-77.8-13.2175.800000112.4P308 W332 G333P308-A335 WeakPolarHBondContact CB-O 3.44Å; P308-A335 HydrophobicContact CG-CB 4.01Å; W332-A335 VanDerWaalsContact O-CB 3.27Å; W332-A335 WeakPolarHBondContact O-CB 3.29Å; W332-A335 PolarHBondContact O-N 3.26Å; G333-A335 VanDerWaalsContact C-N 3.3Å; G333-A335 PolarHBondContact O-N 3.39Å
336F97.7Very high97.2Very high19 Ų1930.8 Ų30.88%0.08317%0.168CC..SBendtrans-91.1138.7179.1-63.5-92000110.9V306 P308 L311 W332 G333 K338 L340V306-F336 HydrophobicContact CG1-CE1 4.02Å; V306-F336 HydrophobicContact CG1-CZ 4.12Å; P308-F336 HydrophobicContact CB-CD1 4.04Å; P308-F336 HydrophobicContact CB-CE1 4.2Å; P308-F336 HydrophobicContact CG-CD1 4.01Å; P308-F336 HydrophobicContact CG-CD2 4.42Å; P308-F336 HydrophobicContact CG-CE1 3.83Å; P308-F336 HydrophobicContact CG-CE2 4.23Å; P308-F336 HydrophobicContact CG-CG 4.31Å; P308-F336 HydrophobicContact CG-CZ 3.94Å; L311-F336 HydrophobicContact CD1-CD1 3.69Å; L311-F336 HydrophobicContact CD1-CE1 3.69Å; L311-F336 HydrophobicContact CG-CD1 4.38Å; L311-F336 HydrophobicContact CG-CE1 4.27Å; W332-F336 HydrophobicContact CB-CE2 4.09Å; W332-F336 WeakPolarHBondContact O-CD2 3.39Å; W332-F336 WeakPolarHBondContact O-CE2 3.28Å; G333-F336 PolarHBondContact O-N 2.99Å; F336-K338 WeakPolarHBondContact CB-O 3.33Å; F336-K338 PolarHBondContact O-N 3.48Å; F336-L340 HydrophobicContact CB-CB 4.39Å; F336-L340 HydrophobicContact CD1-CD2 4.3Å; F336-L340 HydrophobicContact CD2-CB 4.08Å; F336-L340 HydrophobicContact CD2-CD2 3.62Å; F336-L340 HydrophobicContact CD2-CG 4.49Å; F336-L340 HydrophobicContact CE1-CD2 4.01Å; F336-L340 HydrophobicContact CE2-CD2 3.32Å; F336-L340 HydrophobicContact CG-CB 4.15Å; F336-L340 HydrophobicContact CG-CD2 4.12Å; F336-L340 HydrophobicContact CZ-CD2 3.53Å
337S97Very high97.4Very high77 Ų7730.3 Ų30.354%0.53817%0.165SC..SBendtrans-68.8-22.4179.265.70000113.6D312D312-S337 VanDerWaalsContact OD1-CB 3.29Å; D312-S337 WeakPolarHBondContact OD1-CB 3.41Å; D312-S337 PolarHBondContact OD1-OG 2.92Å
338K98.1Very high97.5Very high73 Ų7330.1 Ų30.132%0.31716%0.164SC..SBendtrans-119.3151.6177.1-60.7-63.6-172.5173.90109.2F336 L340F336-K338 WeakPolarHBondContact CB-O 3.33Å; F336-K338 PolarHBondContact O-N 3.48Å; K338-L340 PolarHBondContact O-N 2.65Å
339P98.5Very high97.6Very high6 Ų628.7 Ų28.74%0.03916%0.158CC..  trans-59.5123.7-179.624.5-33.6000110.6A258 Q261 A262 D318 A319 W320A258-P339 HydrophobicContact CB-CB 4.13Å; A258-P339 WeakPolarHBondContact O-CB 3.43Å; Q261-P339 HydrophobicContact CB-CB 4.49Å; Q261-P339 HydrophobicContact CB-CG 4.24Å; Q261-P339 HydrophobicContact CG-CG 4.03Å; A262-P339 HydrophobicContact CB-CB 4.48Å; A262-P339 HydrophobicContact CB-CG 4.27Å; D318-P339 WeakPolarHBondContact O-CD 3.4Å; A319-P339 HydrophobicContact CB-CG 3.8Å; W320-P339 PolarHBondContact N-O 2.98Å
340L98.7Very high97.6Very high1 Ų129 Ų291%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-104.7112.3172.9-177.269.8000109.4R255 I271 L311 W320 Q322 L328 F336 K338R255-L340 PolarHBondContact NH1-O 2.84Å; R255-L340 PolarHBondContact NH2-O 3.31Å; I271-L340 HydrophobicContact CD1-CD1 4.12Å; L311-L340 HydrophobicContact CD1-CD1 4.34Å; W320-L340 HydrophobicContact CB-CD1 3.52Å; W320-L340 HydrophobicContact CG-CD1 4.44Å; Q322-L340 HydrophobicContact CB-CD1 4.04Å; Q322-L340 HydrophobicContact CG-CD1 4.02Å; Q322-L340 HydrophobicContact CG-CD2 4.35Å; Q322-L340 HydrophobicContact CG-CG 4.14Å; L328-L340 HydrophobicContact CB-CD2 4.33Å; F336-L340 HydrophobicContact CB-CB 4.39Å; F336-L340 HydrophobicContact CD1-CD2 4.3Å; F336-L340 HydrophobicContact CD2-CB 4.08Å; F336-L340 HydrophobicContact CD2-CD2 3.62Å; F336-L340 HydrophobicContact CD2-CG 4.49Å; F336-L340 HydrophobicContact CE1-CD2 4.01Å; F336-L340 HydrophobicContact CE2-CD2 3.32Å; F336-L340 HydrophobicContact CG-CB 4.15Å; F336-L340 HydrophobicContact CG-CD2 4.12Å; F336-L340 HydrophobicContact CZ-CD2 3.53Å; K338-L340 PolarHBondContact O-N 2.65Å
341L98.8Very high97.7Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-103.7147.6-176.8-56.9-168.3000111.9A258 I259 A262 W268 W320 V321 Q322 S329 E345 A346 A349A258-L341 HydrophobicContact CB-CD2 3.87Å; I259-L341 HydrophobicContact CG1-CD2 4.23Å; A262-L341 HydrophobicContact CB-CD1 3.59Å; A262-L341 HydrophobicContact CB-CG 4.27Å; W268-L341 HydrophobicContact CH2-CD1 4.36Å; W268-L341 HydrophobicContact CZ3-CD1 4.18Å; W320-L341 PolarHBondContact O-N 3.33Å; V321-L341 WeakPolarHBondContact CA-O 3.2Å; V321-L341 HydrophobicContact CG2-CB 4.48Å; Q322-L341 PolarHBondContact N-O 2.78Å; S329-L341 PolarHBondContact OG-O 3.19Å; L341-E345 WeakPolarHBondContact CA-OE2 3.48Å; L341-E345 HydrophobicContact CB-CB 4.03Å; L341-E345 HydrophobicContact CD1-CB 4.47Å; L341-E345 HydrophobicContact CD2-CB 4.25Å; L341-E345 HydrophobicContact CG-CB 4.49Å; L341-A346 HydrophobicContact CD1-CB 4.42Å; L341-A349 HydrophobicContact CD1-CB 4.02Å
342S98.4Very high97.7Very high3 Ų336.4 Ų36.42%0.02119%0.192CC..  trans-75.5167160.173.20000110.1S329 Y344 E345 A346 Y359S329-S342 PolarHBondContact OG-N 3.16Å; S329-S342 VanDerWaalsContact OG-N 3.07Å; S342-Y344 VanDerWaalsContact C-N 3.29Å; S342-Y344 PolarHBondContact O-N 2.98Å; S342-E345 PolarHBondContact N-OE2 3.18Å; S342-E345 PolarHBondContact O-N 2.95Å; S342-E345 VanDerWaalsContact OG-CG 3.32Å; S342-E345 WeakPolarHBondContact OG-CG 3.32Å; S342-E345 PolarHBondContact OG-N 3.29Å; S342-E345 PolarHBondContact OG-OE2 3.06Å; S342-A346 PolarHBondContact O-N 3.13Å; S342-Y359 PolarHBondContact OG-OH 3.49Å; S342-Y359 VanDerWaalsContact OG-OH 3.1Å
343P98.4Very high97.8Very high1 Ų130.4 Ų30.41%0.00617%0.173CC..Hα-helixtrans-61.9-35.2179.2-28.240.9000113.3V283 Q322 I323 A346 A347 F363 W372V283-P343 HydrophobicContact CG1-CB 3.87Å; V283-P343 HydrophobicContact CG1-CG 4.12Å; Q322-P343 VanDerWaalsContact O-CD 3.26Å; Q322-P343 WeakPolarHBondContact O-CD 3.49Å; Q322-P343 WeakPolarHBondContact O-CG 3.28Å; I323-P343 HydrophobicContact CG1-CG 4.34Å; P343-A346 PolarHBondContact O-N 3.27Å; P343-A347 PolarHBondContact O-N 3.41Å; P343-F363 HydrophobicContact CG-CE2 4.17Å; P343-W372 HydrophobicContact CB-CB 3.77Å; P343-W372 VanDerWaalsContact CB-O 3.3Å; P343-W372 WeakPolarHBondContact CB-O 2.95Å
344Y98.3Very high97.9Very high9 Ų932.2 Ų32.24%0.03519%0.192CC..Hα-helixtrans-61.5-47.8173.7166.5-113.3000111.5S342 A346 A347 V348 V353 G354 W355 E356 Y359 P360 W372S342-Y344 VanDerWaalsContact C-N 3.29Å; S342-Y344 PolarHBondContact O-N 2.98Å; Y344-A346 VanDerWaalsContact C-N 3.29Å; Y344-A346 PolarHBondContact O-N 2.83Å; Y344-A347 WeakPolarHBondContact O-CB 3.17Å; Y344-A347 PolarHBondContact O-N 3.01Å; Y344-A347 VanDerWaalsContact O-N 3.11Å; Y344-V348 HydrophobicContact CD2-CG2 4.39Å; Y344-V348 HydrophobicContact CE1-CG2 4.21Å; Y344-V348 HydrophobicContact CE2-CG2 3.81Å; Y344-V348 WeakPolarHBondContact O-CG2 3.3Å; Y344-V348 PolarHBondContact O-N 2.84Å; Y344-V353 HydrophobicContact CD2-CG1 4.33Å; Y344-V353 HydrophobicContact CE2-CG1 3.96Å; Y344-G354 PolarHBondContact OH-O 2.84Å; Y344-W355 HydrophobicContact CE1-CE3 4.12Å; Y344-W355 HydrophobicContact CE1-CZ3 4.01Å; Y344-E356 HydrophobicContact CE2-CG 4.33Å; Y344-E356 WeakPolarHBondContact OH-CB 3.11Å; Y344-E356 WeakPolarHBondContact OH-CG 3.13Å; Y344-E356 PolarHBondContact OH-N 2.89Å; Y344-Y359 HydrophobicContact CD1-CE2 4.2Å; Y344-Y359 HydrophobicContact CE1-CD2 4.47Å; Y344-Y359 HydrophobicContact CE1-CE2 4.29Å; Y344-P360 HydrophobicContact CD1-CG 3.52Å; Y344-P360 HydrophobicContact CD2-CG 3.88Å; Y344-P360 HydrophobicContact CE1-CG 3.57Å; Y344-P360 HydrophobicContact CE2-CG 3.92Å; Y344-P360 HydrophobicContact CG-CG 3.69Å; Y344-W372 HydrophobicContact CD2-CD2 4.43Å; Y344-W372 AromaticContact CD2-CE2 3.73Å; Y344-W372 AromaticContact CD2-CZ2 3.95Å; Y344-W372 HydrophobicContact CD2-CZ2 3.95Å; Y344-W372 AromaticContact CD2-NE1 3.63Å; Y344-W372 HydrophobicContact CE2-CZ2 4.36Å
345E98.7Very high98Very high0 Ų029.7 Ų29.70%017%0.17CC..Hα-helixtrans-67-33.4-179.1-63.8171.1142.900111.9R255 I259 L341 S342 V348 A349 Y359R255-E345 WeakPolarHBondContact CB-OE1 3.03Å; R255-E345 WeakPolarHBondContact CG-OE1 3.28Å; R255-E345 IonicContact CZ-OE1 3.65Å; R255-E345 IonicContact CZ-OE2 3.35Å; R255-E345 IonicContact NE-OE1 3.47Å; R255-E345 PolarHBondContact NE-OE1 3.42Å; R255-E345 IonicContact NE-OE2 3.98Å; R255-E345 VanDerWaalsContact NH2-CD 3.28Å; R255-E345 IonicContact NH2-OE1 2.94Å; R255-E345 PolarHBondContact NH2-OE1 2.73Å; R255-E345 IonicContact NH2-OE2 3.27Å; R255-E345 PolarHBondContact NH2-OE2 3.36Å; I259-E345 HydrophobicContact CD1-CB 3.94Å; I259-E345 HydrophobicContact CD1-CG 4.04Å; I259-E345 HydrophobicContact CG1-CB 3.88Å; I259-E345 HydrophobicContact CG1-CG 4.4Å; L341-E345 WeakPolarHBondContact CA-OE2 3.48Å; L341-E345 HydrophobicContact CB-CB 4.03Å; L341-E345 HydrophobicContact CD1-CB 4.47Å; L341-E345 HydrophobicContact CD2-CB 4.25Å; L341-E345 HydrophobicContact CG-CB 4.49Å; S342-E345 PolarHBondContact N-OE2 3.18Å; S342-E345 PolarHBondContact O-N 2.95Å; S342-E345 VanDerWaalsContact OG-CG 3.32Å; S342-E345 WeakPolarHBondContact OG-CG 3.32Å; S342-E345 PolarHBondContact OG-N 3.29Å; S342-E345 PolarHBondContact OG-OE2 3.06Å; E345-V348 PolarHBondContact O-N 3.29Å; E345-A349 WeakPolarHBondContact O-CB 3.41Å; E345-A349 PolarHBondContact O-N 3.1Å; E345-Y359 VanDerWaalsContact CD-OH 3.29Å; E345-Y359 HydrophobicContact CG-CE2 4.04Å; E345-Y359 WeakPolarHBondContact OE1-CE2 3.25Å; E345-Y359 PolarHBondContact OE1-OH 2.91Å
346A98.7Very high97.9Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-63-44170.600000111.4L287 V321 L341 S342 P343 Y344 V348 A349 L350L287-A346 HydrophobicContact CD2-CB 4Å; V321-A346 HydrophobicContact CB-CB 4.3Å; V321-A346 HydrophobicContact CG1-CB 3.69Å; V321-A346 HydrophobicContact CG2-CB 3.56Å; L341-A346 HydrophobicContact CD1-CB 4.42Å; S342-A346 PolarHBondContact O-N 3.13Å; P343-A346 PolarHBondContact O-N 3.27Å; Y344-A346 VanDerWaalsContact C-N 3.29Å; Y344-A346 PolarHBondContact O-N 2.83Å; A346-V348 VanDerWaalsContact C-N 3.26Å; A346-V348 PolarHBondContact O-N 2.74Å; A346-A349 PolarHBondContact O-N 2.9Å; A346-A349 VanDerWaalsContact O-N 3.14Å; A346-L350 WeakPolarHBondContact O-CB 3.38Å; A346-L350 VanDerWaalsContact O-CG 3.24Å; A346-L350 WeakPolarHBondContact O-CG 3.46Å; A346-L350 PolarHBondContact O-N 3.1Å
347A98.4Very high97.7Very high0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-59.2-37.6174.500000111.8P343 Y344 Q351 E352 V353 W372P343-A347 PolarHBondContact O-N 3.41Å; Y344-A347 WeakPolarHBondContact O-CB 3.17Å; Y344-A347 PolarHBondContact O-N 3.01Å; Y344-A347 VanDerWaalsContact O-N 3.11Å; A347-Q351 PolarHBondContact O-N 2.97Å; A347-E352 HydrophobicContact CB-CB 4.14Å; A347-E352 WeakPolarHBondContact O-CB 3.47Å; A347-E352 PolarHBondContact O-N 2.74Å; A347-V353 HydrophobicContact CB-CG1 3.92Å; A347-W372 HydrophobicContact CB-CD2 4.08Å; A347-W372 HydrophobicContact CB-CE3 3.52Å; A347-W372 HydrophobicContact CB-CZ3 4.01Å
348V98.6Very high97.6Very high2 Ų235.4 Ų35.41%0.01218%0.182CC..Hα-helixtrans-67.6-43.9173178.90000112I259 Y344 E345 A346 L350 Q351 V353 W355I259-V348 HydrophobicContact CD1-CB 4.37Å; I259-V348 HydrophobicContact CD1-CG1 4.26Å; I259-V348 HydrophobicContact CG2-CG1 4.01Å; Y344-V348 HydrophobicContact CD2-CG2 4.39Å; Y344-V348 HydrophobicContact CE1-CG2 4.21Å; Y344-V348 HydrophobicContact CE2-CG2 3.81Å; Y344-V348 WeakPolarHBondContact O-CG2 3.3Å; Y344-V348 PolarHBondContact O-N 2.84Å; E345-V348 PolarHBondContact O-N 3.29Å; A346-V348 VanDerWaalsContact C-N 3.26Å; A346-V348 PolarHBondContact O-N 2.74Å; V348-L350 VanDerWaalsContact C-N 3.3Å; V348-L350 PolarHBondContact O-N 3.37Å; V348-Q351 PolarHBondContact O-N 3.39Å; V348-V353 HydrophobicContact CG2-CG1 3.78Å; V348-W355 HydrophobicContact CG1-CB 4.15Å; V348-W355 HydrophobicContact CG1-CE3 4.48Å; V348-W355 HydrophobicContact CG2-CE3 4.42Å
349A98.6Very high97.6Very high5 Ų532.3 Ų32.34%0.04117%0.168CC..Hα-helixtrans-64.4-36.1178.600000112I259 A262 R263 W268 L341 E345 A346 Q351I259-A349 HydrophobicContact CG2-CB 4.04Å; A262-A349 HydrophobicContact CB-CB 4.35Å; R263-A349 HydrophobicContact CG-CB 4.31Å; R263-A349 WeakPolarHBondContact CG-O 3.44Å; W268-A349 HydrophobicContact CH2-CB 4.03Å; L341-A349 HydrophobicContact CD1-CB 4.02Å; E345-A349 WeakPolarHBondContact O-CB 3.41Å; E345-A349 PolarHBondContact O-N 3.1Å; A346-A349 PolarHBondContact O-N 2.9Å; A346-A349 VanDerWaalsContact O-N 3.14Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.08Å
350L98.3Very high97.4Very high6 Ų632.9 Ų32.93%0.03117%0.171CC..THydrogen-bonded Turntrans-87.99.3179-59.8175.6000113.5W268 K290 L291 L294 K296 A346 V348 E352W268-L350 HydrophobicContact CH2-CD2 3.97Å; W268-L350 HydrophobicContact CH2-CG 4.3Å; W268-L350 HydrophobicContact CZ2-CD2 3.68Å; W268-L350 HydrophobicContact CZ2-CG 4.5Å; K290-L350 WeakPolarHBondContact CE-O 3.42Å; K290-L350 HydrophobicContact CG-CB 4.12Å; K290-L350 HydrophobicContact CG-CD1 3.92Å; L291-L350 HydrophobicContact CD2-CD1 3.87Å; L291-L350 HydrophobicContact CD2-CD2 3.71Å; L291-L350 HydrophobicContact CD2-CG 4.46Å; L291-L350 HydrophobicContact CG-CD1 4.08Å; L294-L350 HydrophobicContact CD1-CB 4.1Å; L294-L350 HydrophobicContact CD1-CD2 3.86Å; K296-L350 HydrophobicContact CD-CD2 3.98Å; A346-L350 WeakPolarHBondContact O-CB 3.38Å; A346-L350 VanDerWaalsContact O-CG 3.24Å; A346-L350 WeakPolarHBondContact O-CG 3.46Å; A346-L350 PolarHBondContact O-N 3.1Å; V348-L350 VanDerWaalsContact C-N 3.3Å; V348-L350 PolarHBondContact O-N 3.37Å; L350-E352 VanDerWaalsContact C-N 3.28Å; L350-E352 PolarHBondContact O-N 2.72Å
351Q96.9Very high97.4Very high164 Ų16433.2 Ų33.277%0.76617%0.173SC*.THydrogen-bonded Turntrans58.534.6175.8-52.6176.621.700113.7A347 V348 A349A347-Q351 PolarHBondContact O-N 2.97Å; V348-Q351 PolarHBondContact O-N 3.39Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.08Å
352E96.4Very high97.2Very high62 Ų6234.2 Ų34.229%0.2918%0.178SC..SBendtrans-83.7-34.2171.3-63-168.5-106.500112.1H286 K290 A347 L350H286-E352 IonicContact CE1-OE2 3.39Å; H286-E352 PolarHBondContact CE1-OE2 2.83Å; H286-E352 VanDerWaalsContact CE1-OE2 3.27Å; H286-E352 IonicContact NE2-OE1 3.38Å; H286-E352 IonicContact NE2-OE2 3.96Å; H286-E352 PolarHBondContact NE2-OE2 2.78Å; K290-E352 VanDerWaalsContact CD-CD 3.47Å; K290-E352 HydrophobicContact CD-CG 3.63Å; K290-E352 HydrophobicContact CG-CG 4.06Å; K290-E352 VanDerWaalsContact CG-OE1 3.26Å; K290-E352 WeakPolarHBondContact CG-OE1 3.24Å; A347-E352 HydrophobicContact CB-CB 4.14Å; A347-E352 WeakPolarHBondContact O-CB 3.47Å; A347-E352 PolarHBondContact O-N 2.74Å; L350-E352 VanDerWaalsContact C-N 3.28Å; L350-E352 PolarHBondContact O-N 2.72Å
353V97.3Very high97.1Very high35 Ų3534.7 Ų34.721%0.21218%0.18CC..SBendtrans-141156-179.767.60000110.3Y344 A347 V348 W372Y344-V353 HydrophobicContact CD2-CG1 4.33Å; Y344-V353 HydrophobicContact CE2-CG1 3.96Å; A347-V353 HydrophobicContact CB-CG1 3.92Å; V348-V353 HydrophobicContact CG2-CG1 3.78Å; V353-W372 HydrophobicContact CB-CH2 3.69Å; V353-W372 HydrophobicContact CB-CZ3 3.97Å; V353-W372 HydrophobicContact CG1-CH2 3.69Å; V353-W372 HydrophobicContact CG1-CZ2 4.24Å; V353-W372 HydrophobicContact CG1-CZ3 3.87Å; V353-W372 HydrophobicContact CG2-CH2 3.77Å; V353-W372 HydrophobicContact CG2-CZ2 4.43Å
354G97.5Very high97Very high49 Ų4935.1 Ų35.151%0.50518%0.182SC..PPolyproline II helixtrans-71159.2170.200000112.4Y344 E356Y344-G354 PolarHBondContact OH-O 2.84Å; G354-E356 PolarHBondContact O-N 3.2Å
355W97.3Very high96.8Very high57 Ų5735 Ų3522%0.21618%0.182CC..PPolyproline II helixtrans-70.4125.1166.4176.6-106.6000109.5R252 R255 L256 I259 Y344 V348 Y359R252-W355 HydrophobicContact CB-CZ2 4.37Å; R252-W355 HydrophobicContact CG-CZ2 4.33Å; R252-W355 VanDerWaalsContact NH2-NE1 3.18Å; R255-W355 HydrophobicContact CB-CH2 3.98Å; L256-W355 HydrophobicContact CD1-CZ2 4.48Å; L256-W355 HydrophobicContact CD2-CB 4.44Å; L256-W355 HydrophobicContact CD2-CD2 3.67Å; L256-W355 HydrophobicContact CD2-CE3 4.18Å; L256-W355 HydrophobicContact CD2-CG 3.8Å; L256-W355 HydrophobicContact CD2-CZ2 4.28Å; L256-W355 HydrophobicContact CG-CD2 4.28Å; L256-W355 HydrophobicContact CG-CH2 4.49Å; L256-W355 HydrophobicContact CG-CZ2 3.97Å; I259-W355 HydrophobicContact CD1-CE3 3.66Å; I259-W355 HydrophobicContact CD1-CH2 4.36Å; I259-W355 HydrophobicContact CD1-CZ3 3.44Å; I259-W355 VanDerWaalsContact CD1-CZ3 3.44Å; Y344-W355 HydrophobicContact CE1-CE3 4.12Å; Y344-W355 HydrophobicContact CE1-CZ3 4.01Å; V348-W355 HydrophobicContact CG1-CB 4.15Å; V348-W355 HydrophobicContact CG1-CE3 4.48Å; V348-W355 HydrophobicContact CG2-CE3 4.42Å; W355-Y359 AromaticContact CH2-CD2 3.51Å; W355-Y359 HydrophobicContact CH2-CD2 3.51Å; W355-Y359 AromaticContact CH2-CE2 3.84Å; W355-Y359 HydrophobicContact CH2-CE2 3.84Å; W355-Y359 HydrophobicContact CZ2-CD2 4.28Å; W355-Y359 AromaticContact CZ3-CD2 4Å; W355-Y359 HydrophobicContact CZ3-CD2 4Å; W355-Y359 HydrophobicContact CZ3-CE2 4.02Å
356E96.2Very high96.5Very high78 Ų7838 Ų3836%0.36420%0.198SC..PPolyproline II helixtrans-76.9146.4-177.7-70.8-60.3144.900111R252 Y344 G354 V358 L369R252-E356 PolarHBondContact NH2-O 3.39Å; R252-E356 VanDerWaalsContact NH2-O 3.08Å; Y344-E356 HydrophobicContact CE2-CG 4.33Å; Y344-E356 WeakPolarHBondContact OH-CB 3.11Å; Y344-E356 WeakPolarHBondContact OH-CG 3.13Å; Y344-E356 PolarHBondContact OH-N 2.89Å; G354-E356 PolarHBondContact O-N 3.2Å; E356-V358 VanDerWaalsContact CB-O 3.24Å; E356-V358 WeakPolarHBondContact CB-O 3.47Å; E356-V358 PolarHBondContact O-N 3.02Å; E356-L369 HydrophobicContact CG-CD1 4.29Å
357E93Very high96.2Very high159 Ų15945.9 Ų45.974%0.74324%0.235SC*.SBendtrans-62.9-31.4174.4-173.2178.4-174.600111.1R252R252-E357 PolarHBondContact NH1-O 3.13Å; R252-E357 PolarHBondContact NH2-O 3.33Å
358V95Very high96Very high34 Ų3446.4 Ų46.421%0.20624%0.238CC..SBendtrans-118.9126.7175.2176.80000107.4R201 A225 E356 P360R201-V358 VanDerWaalsContact NH1-CG2 3.32Å; A225-V358 WeakPolarHBondContact O-CG1 3.3Å; E356-V358 VanDerWaalsContact CB-O 3.24Å; E356-V358 WeakPolarHBondContact CB-O 3.47Å; E356-V358 PolarHBondContact O-N 3.02Å; V358-P360 WeakPolarHBondContact O-CD 3.48Å
359Y96.9Very high95.8Very high8 Ų851.1 Ų51.13%0.03126%0.263CS..  trans-63.6124.5-179.2-170.1-78.9000109.7I224 M251 I330 S342 Y344 E345 W355 M361I224-Y359 HydrophobicContact CG2-CD1 4.06Å; I224-Y359 HydrophobicContact CG2-CG 4.26Å; M251-Y359 HydrophobicContact CE-CG 4.3Å; I330-Y359 HydrophobicContact CD1-CD1 4.3Å; I330-Y359 HydrophobicContact CD1-CE1 3.63Å; I330-Y359 HydrophobicContact CG1-CE1 4.27Å; S342-Y359 PolarHBondContact OG-OH 3.49Å; S342-Y359 VanDerWaalsContact OG-OH 3.1Å; Y344-Y359 HydrophobicContact CD1-CE2 4.2Å; Y344-Y359 HydrophobicContact CE1-CD2 4.47Å; Y344-Y359 HydrophobicContact CE1-CE2 4.29Å; E345-Y359 VanDerWaalsContact CD-OH 3.29Å; E345-Y359 HydrophobicContact CG-CE2 4.04Å; E345-Y359 WeakPolarHBondContact OE1-CE2 3.25Å; E345-Y359 PolarHBondContact OE1-OH 2.91Å; W355-Y359 AromaticContact CH2-CD2 3.51Å; W355-Y359 HydrophobicContact CH2-CD2 3.51Å; W355-Y359 AromaticContact CH2-CE2 3.84Å; W355-Y359 HydrophobicContact CH2-CE2 3.84Å; W355-Y359 HydrophobicContact CZ2-CD2 4.28Å; W355-Y359 AromaticContact CZ3-CD2 4Å; W355-Y359 HydrophobicContact CZ3-CD2 4Å; W355-Y359 HydrophobicContact CZ3-CE2 4.02Å; Y359-M361 HydrophobicContact CD1-SD 3.88Å; Y359-M361 HydrophobicContact CE1-SD 4.12Å; Y359-M361 PolarHBondContact O-N 3.4Å
360P96.1Very high95.6Very high17 Ų1751 Ų5111%0.1126%0.262CS..  trans-72.2127.2-175.428.6-33.7000111.2Y344 V358 L369Y344-P360 HydrophobicContact CD1-CG 3.52Å; Y344-P360 HydrophobicContact CD2-CG 3.88Å; Y344-P360 HydrophobicContact CE1-CG 3.57Å; Y344-P360 HydrophobicContact CE2-CG 3.92Å; Y344-P360 HydrophobicContact CG-CG 3.69Å; V358-P360 WeakPolarHBondContact O-CD 3.48Å; P360-L369 HydrophobicContact CB-CD1 3.81Å; P360-L369 HydrophobicContact CG-CD1 4.39Å
361M97.2Very high95.4Very high9 Ų951.6 Ų51.64%0.04427%0.267CS..  trans-110.362.3171.6-62.3-58.1-68.100108.6G196 C197 T198 S199 S221 I224 A225 I330 Y359G196-M361 WeakPolarHBondContact O-CE 3.3Å; C197-M361 CarbonylContact O-C 3.56Å; T198-M361 CarbonylContact C-O 3.4Å; T198-M361 WeakPolarHBondContact CA-O 3.22Å; S199-M361 PolarHBondContact N-O 2.77Å; S221-M361 WeakPolarHBondContact O-CG 3.25Å; I224-M361 HydrophobicContact CB-CG 3.99Å; I224-M361 HydrophobicContact CB-SD 4.28Å; I224-M361 HydrophobicContact CD1-CE 4.42Å; I224-M361 HydrophobicContact CD1-SD 4.28Å; I224-M361 HydrophobicContact CG2-CG 3.69Å; I224-M361 HydrophobicContact CG2-SD 3.78Å; A225-M361 HydrophobicContact CB-CB 4.26Å; A225-M361 HydrophobicContact CB-CG 4.29Å; I330-M361 HydrophobicContact CD1-CE 4.29Å; I330-M361 HydrophobicContact CD1-SD 3.97Å; Y359-M361 HydrophobicContact CD1-SD 3.88Å; Y359-M361 HydrophobicContact CE1-SD 4.12Å; Y359-M361 PolarHBondContact O-N 3.4Å
362D96Very high95.3Very high20 Ų2044.6 Ų44.611%0.10723%0.233CC..BIsolated β-bridgetrans-127.318.7-166.371.1-20000113.5Y364 S365 S368 L369D362-Y364 VanDerWaalsContact C-N 3.32Å; D362-Y364 PolarHBondContact O-N 2.99Å; D362-S365 WeakPolarHBondContact O-CB 3.41Å; D362-S365 PolarHBondContact O-N 3.42Å; D362-S368 VanDerWaalsContact OD2-CA 3.22Å; D362-S368 WeakPolarHBondContact OD2-CA 3.48Å; D362-L369 WeakPolarHBondContact OD2-CG 3.46Å; D362-L369 PolarHBondContact OD2-N 2.82Å
363F95.6Very high95.3Very high14 Ų1441.7 Ų41.76%0.06122%0.22CC..THydrogen-bonded Turntrans-56.8-41.3-167.1-169-115.1000113.6C197 A324 P326 P343 P374C197-F363 HydrophobicContact CB-CB 4.18Å; C197-F363 WeakPolarHBondContact O-CB 3.34Å; C197-F363 PolarHBondContact O-N 3.41Å; A324-F363 VanDerWaalsContact O-CE1 3.26Å; A324-F363 WeakPolarHBondContact O-CE1 3.47Å; A324-F363 VanDerWaalsContact O-CZ 3.27Å; A324-F363 WeakPolarHBondContact O-CZ 3.36Å; P326-F363 HydrophobicContact CG-CB 3.73Å; P326-F363 HydrophobicContact CG-CD1 3.59Å; P326-F363 HydrophobicContact CG-CD2 3.54Å; P326-F363 HydrophobicContact CG-CE1 4Å; P326-F363 HydrophobicContact CG-CE2 3.96Å; P326-F363 HydrophobicContact CG-CG 3.34Å; P326-F363 HydrophobicContact CG-CZ 4.16Å; P343-F363 HydrophobicContact CG-CE2 4.17Å; F363-P374 HydrophobicContact CD1-CG 4.15Å; F363-P374 HydrophobicContact CD2-CG 4.42Å; F363-P374 HydrophobicContact CE1-CG 3.66Å; F363-P374 VanDerWaalsContact CE2-CD 3.42Å; F363-P374 HydrophobicContact CE2-CG 3.96Å; F363-P374 HydrophobicContact CZ-CG 3.56Å; F363-P374 VanDerWaalsContact O-CD 3.22Å; F363-P374 WeakPolarHBondContact O-CD 3.27Å
364Y95.2Very high95.2Very high10 Ų1040.8 Ų40.84%0.03921%0.214CC..THydrogen-bonded Turntrans-105.416173-65-68.9000113.5C94 L117 P188 T198 D362 P374 N375C94-Y364 HydrophobicContact CB-CE2 3.99Å; C94-Y364 VanDerWaalsContact CB-OH 3.26Å; C94-Y364 WeakPolarHBondContact CB-OH 3.44Å; L117-Y364 HydrophobicContact CD1-CG 4.18Å; L117-Y364 HydrophobicContact CD2-CD1 4.26Å; L117-Y364 HydrophobicContact CD2-CD2 3.68Å; L117-Y364 HydrophobicContact CD2-CE1 4.4Å; L117-Y364 HydrophobicContact CD2-CE2 3.81Å; L117-Y364 HydrophobicContact CD2-CG 3.91Å; L117-Y364 HydrophobicContact CG-CG 4.45Å; P188-Y364 WeakPolarHBondContact CD-O 3.38Å; T198-Y364 WeakPolarHBondContact OG1-CB 3.18Å; T198-Y364 PolarHBondContact OG1-N 2.8Å; D362-Y364 VanDerWaalsContact C-N 3.32Å; D362-Y364 PolarHBondContact O-N 2.99Å; Y364-P374 HydrophobicContact CD1-CB 4.12Å; Y364-P374 HydrophobicContact CD1-CG 4.32Å; Y364-P374 HydrophobicContact CE1-CB 4Å; Y364-P374 HydrophobicContact CE1-CG 3.98Å; Y364-N375 PolarHBondContact O-ND2 3.41Å
365S95Very high95Very high7 Ų740.1 Ų40.15%0.04920%0.199CC..  trans-69137.5175.4-1780000110.8R187 D362 Q367 S368 N375R187-S365 WeakPolarHBondContact O-CA 3.47Å; D362-S365 WeakPolarHBondContact O-CB 3.41Å; D362-S365 PolarHBondContact O-N 3.42Å; S365-Q367 PolarHBondContact O-N 3.44Å; S365-Q367 PolarHBondContact OG-N 3.35Å; S365-S368 WeakPolarHBondContact O-CB 3.38Å; S365-S368 PolarHBondContact O-N 3.47Å; S365-N375 WeakPolarHBondContact O-CB 3.49Å
366N92.9Very high94.9Very high63 Ų6338.7 Ų38.734%0.33720%0.195SC..THydrogen-bonded Turntrans-69.4-10.4167.2-72.5-21.3000113R187R187-N366 HydrophobicContact CB-CB 4.37Å; R187-N366 PolarHBondContact O-N 3.02Å
367Q91.8Very high94.7Very high165 Ų16539.2 Ų39.277%0.77121%0.205SC*.THydrogen-bonded Turntrans-11731.1176.8-63.7176.2-22.300110.2S365S365-Q367 PolarHBondContact O-N 3.44Å; S365-Q367 PolarHBondContact OG-N 3.35Å
368S94.1Very high94.5Very high10 Ų1038 Ų387%0.0720%0.2CC..  trans-57.2146.8176.758.60000111.6D362 S365 G370 H376D362-S368 VanDerWaalsContact OD2-CA 3.22Å; D362-S368 WeakPolarHBondContact OD2-CA 3.48Å; S365-S368 WeakPolarHBondContact O-CB 3.38Å; S365-S368 PolarHBondContact O-N 3.47Å; S368-G370 VanDerWaalsContact C-N 3.28Å; S368-G370 PolarHBondContact O-N 3.18Å; S368-H376 VanDerWaalsContact OG-CA 3.32Å; S368-H376 WeakPolarHBondContact OG-CA 3.09Å; S368-H376 WeakPolarHBondContact OG-CB 3.23Å; S368-H376 PolarHBondContact OG-N 2.82Å
369L93.8Very high94.3Very high101 Ų10137.1 Ų37.153%0.52919%0.194SC..SBendtrans-69.9-18.5-171.9-64.3-179.8000114.8E356 P360 D362 W372E356-L369 HydrophobicContact CG-CD1 4.29Å; P360-L369 HydrophobicContact CB-CD1 3.81Å; P360-L369 HydrophobicContact CG-CD1 4.39Å; D362-L369 WeakPolarHBondContact OD2-CG 3.46Å; D362-L369 PolarHBondContact OD2-N 2.82Å; L369-W372 HydrophobicContact CB-CZ2 3.84Å
370G95.4Very high93.6Very high2 Ų239.4 Ų39.42%0.02121%0.205CC..SBendtrans-172.2179.9-179.800000115.5S368 W372 A373 H376S368-G370 VanDerWaalsContact C-N 3.28Å; S368-G370 PolarHBondContact O-N 3.18Å; G370-W372 PolarHBondContact O-N 3.01Å; G370-A373 PolarHBondContact O-N 3.38Å; G370-A373 VanDerWaalsContact O-N 3.14Å; G370-H376 VanDerWaalsContact C-CG 3.48Å; G370-H376 WeakPolarHBondContact O-CB 3.25Å; G370-H376 PolarHBondContact O-CD2 3.33Å
371P94.9Very high92.4Very high20 Ų2044 Ų4413%0.1324%0.235CC..THydrogen-bonded Turntrans-66.9-3.3-173.927.4-36.1000114.8H286 A373 N379H286-P371 VanDerWaalsContact CE1-CG 3.43Å; H286-P371 WeakPolarHBondContact CE1-CG 3.38Å; H286-P371 WeakPolarHBondContact NE2-CG 3.44Å; P371-A373 PolarHBondContact O-N 3.28Å; P371-N379 PolarHBondContact O-ND2 3.08Å
372W94.4Very high90.8Very high17 Ų1748.4 Ų48.46%0.06427%0.272CS..THydrogen-bonded Turntrans-74.9-9.8170.652.680.8000113.8P343 Y344 A347 V353 L369 G370P343-W372 HydrophobicContact CB-CB 3.77Å; P343-W372 VanDerWaalsContact CB-O 3.3Å; P343-W372 WeakPolarHBondContact CB-O 2.95Å; Y344-W372 HydrophobicContact CD2-CD2 4.43Å; Y344-W372 AromaticContact CD2-CE2 3.73Å; Y344-W372 AromaticContact CD2-CZ2 3.95Å; Y344-W372 HydrophobicContact CD2-CZ2 3.95Å; Y344-W372 AromaticContact CD2-NE1 3.63Å; Y344-W372 HydrophobicContact CE2-CZ2 4.36Å; A347-W372 HydrophobicContact CB-CD2 4.08Å; A347-W372 HydrophobicContact CB-CE3 3.52Å; A347-W372 HydrophobicContact CB-CZ3 4.01Å; V353-W372 HydrophobicContact CB-CH2 3.69Å; V353-W372 HydrophobicContact CB-CZ3 3.97Å; V353-W372 HydrophobicContact CG1-CH2 3.69Å; V353-W372 HydrophobicContact CG1-CZ2 4.24Å; V353-W372 HydrophobicContact CG1-CZ3 3.87Å; V353-W372 HydrophobicContact CG2-CH2 3.77Å; V353-W372 HydrophobicContact CG2-CZ2 4.43Å; L369-W372 HydrophobicContact CB-CZ2 3.84Å; G370-W372 PolarHBondContact O-N 3.01Å
373A96.3Very high88.9Confident0 Ų056.9 Ų56.90%030%0.303CS..SBendtrans-101.6134.2178.300000112.2G370 P371 N375 H376 N379G370-A373 PolarHBondContact O-N 3.38Å; G370-A373 VanDerWaalsContact O-N 3.14Å; P371-A373 PolarHBondContact O-N 3.28Å; A373-N375 VanDerWaalsContact C-N 3.26Å; A373-N375 PolarHBondContact O-N 2.96Å; A373-N375 VanDerWaalsContact O-N 3.14Å; A373-H376 WeakPolarHBondContact O-CB 3.38Å; A373-H376 PolarHBondContact O-N 3.36Å; A373-H376 VanDerWaalsContact O-N 3.1Å; A373-N379 PolarHBondContact O-ND2 2.86Å
374P94.1Very high86.7Confident16 Ų1661.9 Ų61.910%0.10434%0.336CS..THydrogen-bonded Turntrans-49.7-38.7179-31.731.1000115.9F363 Y364 N379F363-P374 HydrophobicContact CD1-CG 4.15Å; F363-P374 HydrophobicContact CD2-CG 4.42Å; F363-P374 HydrophobicContact CE1-CG 3.66Å; F363-P374 VanDerWaalsContact CE2-CD 3.42Å; F363-P374 HydrophobicContact CE2-CG 3.96Å; F363-P374 HydrophobicContact CZ-CG 3.56Å; F363-P374 VanDerWaalsContact O-CD 3.22Å; F363-P374 WeakPolarHBondContact O-CD 3.27Å; Y364-P374 HydrophobicContact CD1-CB 4.12Å; Y364-P374 HydrophobicContact CD1-CG 4.32Å; Y364-P374 HydrophobicContact CE1-CB 4Å; Y364-P374 HydrophobicContact CE1-CG 3.98Å; P374-N379 WeakPolarHBondContact O-CB 3.27Å
375N93.8Very high84.1Confident35 Ų3565.8 Ų65.819%0.18737%0.371CS..THydrogen-bonded Turntrans-92.25.1-175.4-75.1-8.4000114.1Y364 S365 A373 Q380Y364-N375 PolarHBondContact O-ND2 3.41Å; S365-N375 WeakPolarHBondContact O-CB 3.49Å; A373-N375 VanDerWaalsContact C-N 3.26Å; A373-N375 PolarHBondContact O-N 2.96Å; A373-N375 VanDerWaalsContact O-N 3.14Å; N375-Q380 PolarHBondContact O-NE2 2.73Å
376H95Very high81.4Confident28 Ų2876.4 Ų76.413%0.1341%0.41CS..SBendtrans-58.2141173.4-171.2-104.5000110.8S368 G370 A373 E378 N379 Q380S368-H376 VanDerWaalsContact OG-CA 3.32Å; S368-H376 WeakPolarHBondContact OG-CA 3.09Å; S368-H376 WeakPolarHBondContact OG-CB 3.23Å; S368-H376 PolarHBondContact OG-N 2.82Å; G370-H376 VanDerWaalsContact C-CG 3.48Å; G370-H376 WeakPolarHBondContact O-CB 3.25Å; G370-H376 PolarHBondContact O-CD2 3.33Å; A373-H376 WeakPolarHBondContact O-CB 3.38Å; A373-H376 PolarHBondContact O-N 3.36Å; A373-H376 VanDerWaalsContact O-N 3.1Å; H376-E378 IonicContact CE1-OE1 3.01Å; H376-E378 PolarHBondContact ND1-N 3.14Å; H376-E378 PolarHBondContact O-N 2.81Å; H376-N379 WeakPolarHBondContact O-CA 3.43Å; H376-N379 WeakPolarHBondContact O-CB 3.46Å; H376-N379 PolarHBondContact O-N 3.21Å; H376-Q380 PolarHBondContact O-N 2.76Å
377P92.1Very high78.7Confident89 Ų8985.1 Ų85.158%0.57844%0.438SS*.THydrogen-bonded Turntrans-52.3-32.9-177.3-31.137.2000115.3N379 Q380P377-N379 VanDerWaalsContact C-N 3.27Å; P377-N379 PolarHBondContact O-N 3.05Å; P377-Q380 PolarHBondContact O-N 2.94Å
378E90Very high76.1Confident133 Ų13385.4 Ų85.462%0.62144%0.439SS*.THydrogen-bonded Turntrans-68.7-24.4176.9-65.1176.3-164.100113.6H376H376-E378 IonicContact CE1-OE1 3.01Å; H376-E378 PolarHBondContact ND1-N 3.14Å; H376-E378 PolarHBondContact O-N 2.81Å
379N90.4Very high73.3Confident16 Ų1689.5 Ų89.59%0.08647%0.474CS..THydrogen-bonded Turntrans-94-16.5179.7-66.7-29.2000112.5K282 P371 A373 P374 H376 P377K282-N379 HydrophobicContact CB-CB 3.89Å; K282-N379 WeakPolarHBondContact CB-OD1 3.5Å; P371-N379 PolarHBondContact O-ND2 3.08Å; A373-N379 PolarHBondContact O-ND2 2.86Å; P374-N379 WeakPolarHBondContact O-CB 3.27Å; H376-N379 WeakPolarHBondContact O-CA 3.43Å; H376-N379 WeakPolarHBondContact O-CB 3.46Å; H376-N379 PolarHBondContact O-N 3.21Å; P377-N379 VanDerWaalsContact C-N 3.27Å; P377-N379 PolarHBondContact O-N 3.05Å
380Q81.9Confident70.4Confident55 Ų5593.3 Ų93.326%0.25749%0.489SS..SBendtrans-73.2141.2178.1-66.5-168.213.100110.8N375 H376 P377 A382N375-Q380 PolarHBondContact O-NE2 2.73Å; H376-Q380 PolarHBondContact O-N 2.76Å; P377-Q380 PolarHBondContact O-N 2.94Å; Q380-A382 PolarHBondContact O-N 3.22Å
381P71.6Confident67.5Low115 Ų115102.8 Ų102.875%0.74753%0.529SS*.  trans-58.4141170.623.4-30.7000109.7R383P381-R383 PolarHBondContact O-N 2.91Å
382A62.5Low64.6Low100 Ų100111 Ų11183%0.82657%0.566SS**  trans-53.6114.3176.600000109Q380Q380-A382 PolarHBondContact O-N 3.22Å
383R56.3Low61.5Low198 Ų198113.7 Ų113.775%0.74760%0.6SS**PPolyproline II helixtrans-60.2128.8178.3-72.9-176.1-178.9179.51.1107.7P381 A385P381-R383 PolarHBondContact O-N 2.91Å; R383-A385 PolarHBondContact O-N 2.96Å; R383-A385 VanDerWaalsContact O-N 3.16Å
384P48.6Very low58.4Low119 Ų119120.3 Ų120.377%0.77364%0.64SS**PPolyproline II helixtrans-53.2129167.8-18.328.9000107.2R386P384-R386 PolarHBondContact O-N 3.23Å
385A41.2Very low55.5Low93 Ų93128.3 Ų128.377%0.76968%0.676SS**PPolyproline II helixtrans-48.8119.917300000106.9R383 R387R383-A385 PolarHBondContact O-N 2.96Å; R383-A385 VanDerWaalsContact O-N 3.16Å; A385-R387 PolarHBondContact O-N 3.1Å
386R38.6Very low52.5Low230 Ų230132.5 Ų132.587%0.86871%0.705SS**  trans-50.6113.1172.5-86.7-179.5169.5-178.8-3.4105.1P384 H388P384-R386 PolarHBondContact O-N 3.23Å; R386-H388 PolarHBondContact O-N 3.11Å
387R36.4Very low49.5Very low246 Ų246136 Ų13693%0.92874%0.739SS**  trans-5997.6162.4-79.3-175.9176-174.2-1103.7A385 A389A385-R387 PolarHBondContact O-N 3.1Å; R387-A389 VanDerWaalsContact C-N 3.35Å; R387-A389 PolarHBondContact O-N 2.93Å
388H35.9Very low46.7Very low170 Ų170139.5 Ų139.579%0.78775%0.752SS**  trans-49.2115.3158.3-86-74.5000103.7R386 Q390R386-H388 PolarHBondContact O-N 3.11Å; H388-Q390 PolarHBondContact O-N 2.89Å
389A35.5Very low44Very low96 Ų96138.2 Ų138.279%0.79376%0.755SS**  trans-54.1100.5165.400000104.6R387 K391R387-A389 VanDerWaalsContact C-N 3.35Å; R387-A389 PolarHBondContact O-N 2.93Å; A389-K391 VanDerWaalsContact C-N 3.32Å; A389-K391 PolarHBondContact O-N 3.23Å
390Q33.5Very low41.1Very low181 Ų181142.6 Ų142.685%0.84679%0.793SS**  trans-53.6108.8165.9-97.8172.7-3200103.7H388 Q392H388-Q390 PolarHBondContact O-N 2.89Å; Q390-Q392 PolarHBondContact O-N 2.87Å
391K35.1Very low38.7Very low202 Ų202149 Ų14988%0.87882%0.821SS**  trans-49112.1161.3-83.7-179.8171.9-179.40105.1A389 G393A389-K391 VanDerWaalsContact C-N 3.32Å; A389-K391 PolarHBondContact O-N 3.23Å; K391-G393 PolarHBondContact O-N 3.37Å
392Q32.9Very low36.6Very low191 Ų191150.5 Ų150.589%0.89383%0.828SS**PPolyproline II helixtrans-50.2134.2169.1-77.1174.9-19.500107.8Q390Q390-Q392 PolarHBondContact O-N 2.87Å
393G29.3Very low34.9Very low75 Ų75152 Ų15277%0.77383%0.831SS**PPolyproline II helixtrans-56134.9-160.100000114.3K391K391-G393 PolarHBondContact O-N 3.37Å
394T32Very low33.5Very low138 Ų138151.5 Ų151.585%0.84784%0.837SS**PPolyproline II helixtrans-79.5121.9145.339.90000107.4
395E33Very low32.6Very low184 Ų184155 Ų15586%0.8684%0.843SS**PPolyproline II helixtrans-48.6143173.1-69.7173.2139.600111.6A397E395-A397 PolarHBondContact O-N 3.38Å
396P31.7Very low31.9Very low123 Ų123156 Ų15680%0.79984%0.844SS**PPolyproline II helixtrans-71.3124.9176.128.1-31.3000110.3L398P396-L398 PolarHBondContact O-N 3.32Å
397A31.8Very low31.4Very low101 Ų101154.7 Ų154.784%0.83585%0.848SS**PPolyproline II helixtrans-58.5124.6170.900000110.5E395E395-A397 PolarHBondContact O-N 3.38Å
398L32.2Very low30.9Very low164 Ų164146.8 Ų146.886%0.85984%0.843SS**PPolyproline II helixtrans-65.7143.4171.5-76.2155000110.4P396P396-L398 PolarHBondContact O-N 3.32Å
399P32.6Very low30.6Very low105 Ų105143.3 Ų143.368%0.68284%0.844SS**PPolyproline II helixtrans-74.6134.2-178.129.4-31.8000111.1K401P399-K401 PolarHBondContact O-N 3.15Å; P399-K401 VanDerWaalsContact O-N 3.15Å
400A31.1Very low30.8Very low108 Ų108144.5 Ų144.589%0.89384%0.843SS**  trans-59.6115.1172.600000110.3
401K30.5Very low30.6Very low191 Ų191142.3 Ų142.383%0.8385%0.847SS**  trans-115.8119.8162.9-78.3-171.6176-176.80108.8P399P399-K401 PolarHBondContact O-N 3.15Å; P399-K401 VanDerWaalsContact O-N 3.15Å
402T27.3Very low30Very low146 Ų146136 Ų13690%0.89684%0.838SS**  trans-44.4128.9166.537.50000111.9
403C27.7Very low29.8Very low132 Ų132132.2 Ų132.289%0.89283%0.832SS**  trans-113.9121.2168.6-156.90000108.9
404E27.7Very low29.7Very low186 Ų186136.6 Ų136.687%0.86983%0.832SS**  trans-70.1158.1178-70.9170.8140.200112.1
405Q27.7Very low29.6Very low193 Ų193138.6 Ų138.690%0.90283%0.832SS**  trans-62.7136.7173.5-63.5168.9-2100111.7
406S27.6Very low29.4Very low114 Ų114133 Ų13380%0.79782%0.823SS**  -173.4118.4126.844.80000113.3
407Q27.2Very low29.2Very low202 Ų202135.8 Ų135.894%0.94483%0.828SS**  trans9.7133.8141.9-60.1172.8-0.800120.5
408G27.4Very low29.1Very low81 Ų81136.5 Ų136.584%0.83582%0.822SS**  trans170.3112.2157.900000112.6
409A28.3Very low29Very low97 Ų97133.1 Ų133.180%0.80282%0.818SS**  trans-86.9-155-167.700000114.1
410P40Very low28.9Very low120 Ų120137.7 Ų137.778%0.77985%0.852SS**  -129.8167.9-77.635.8-18.8000114.3
411C28.7Very low28.8Very low136 Ų136139.2 Ų139.292%0.91985%0.85SS**  trans-169.6131.9150.1-102.10000106.7
412G24.3Very low28.7Very low68 Ų68136.4 Ų136.470%0.70185%0.851SS**  cis118.2126.823.700000108.8
413C27.9Very low28.8Very low113 Ų113135.9 Ų135.976%0.76485%0.849SS**  trans91.3101.1175.9-57.40000115.8
414E27.7Very low28.9Very low166 Ų166136.1 Ų136.178%0.77685%0.846SS**  83.9141.373.5-83.7175.5170.700111.1
415E29.2Very low28.9Very low181 Ų181133 Ų13385%0.84685%0.845SS**  cis-175.7162.3-12.8-122.2-175.5179.900106
416G27.8Very low29Very low65 Ų65129 Ų12967%0.6784%0.841SS**  trans118.894.6159.400000114.4
417M28.8Very low29.1Very low182 Ų182130.1 Ų130.190%0.89784%0.844SS**  61.313894.5-92172.7151.400114.2
418T29.6Very low29.3Very low117 Ų117124.5 Ų124.572%0.71884%0.836SS**  cis-177.1149.3-10.815.20000104.3
419A28.9Very low29.4Very low92 Ų92128.2 Ų128.276%0.7684%0.836SS**  trans51.3105.7147.900000120.3
420S32Very low29.6Very low201 Ų201131 Ų131100%1.40684%0.84SS**  -174.10102.8-68.80000110.2

Retrieved 420 of 420 residues in 75.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).