A0A093I6D1_STRCA Loading...

Heat shock cognate protein HSP 90-beta

AlphaFold DB , UniProt , Accession A0A093I6D1, Species STRCA (Struthio camelus australis), Gene n/a, Length 726 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
1M44.6Very low55.7Low230 Ų230164.5 Ų164.5100%1.13384%0.84SS**  0116.30-69.8170.666.900105.6
2P46.1Very low57.7Low128 Ų128161.8 Ų161.883%0.83184%0.837SS**  trans-67.5132.6173.6-3.119.6000107.9E4P2-E4 PolarHBondContact O-N 3.26Å
3E48.4Very low59.9Low185 Ų185160.2 Ų160.286%0.86482%0.823SS**  trans-57124.8172.7-72.8170.7147.300109.1V5E3-V5 PolarHBondContact O-N 2.96Å; E3-V5 VanDerWaalsContact O-N 3.11Å
4E51.8Low61.9Low182 Ų182158 Ų15885%0.8582%0.821SS**  trans-59.9112.2166.3-78.7176.9155.800107.8P2 Q6P2-E4 PolarHBondContact O-N 3.26Å; E4-Q6 VanDerWaalsContact C-N 3.34Å; E4-Q6 PolarHBondContact O-N 3.46Å
5V53.1Low63.7Low113 Ų113158.1 Ų158.169%0.68581%0.813SS**  trans-66.498.9167.8-1790000106.6E3 H7E3-V5 PolarHBondContact O-N 2.96Å; E3-V5 VanDerWaalsContact O-N 3.11Å; V5-H7 VanDerWaalsContact C-N 3.27Å; V5-H7 PolarHBondContact O-N 3.19Å
6Q54.7Low65.4Low186 Ų186153.3 Ų153.387%0.86980%0.804SS**  trans-65.292.8161.8-81179.8-16.500107.4E4 G8E4-Q6 VanDerWaalsContact C-N 3.34Å; E4-Q6 PolarHBondContact O-N 3.46Å; Q6-G8 PolarHBondContact O-N 2.88Å; Q6-G8 VanDerWaalsContact O-N 3.15Å
7H57.4Low66.8Low163 Ų163156.8 Ų156.876%0.75581%0.812SS**  trans-62.4111.1155.1-77-59.2000106.2V5 E9V5-H7 VanDerWaalsContact C-N 3.27Å; V5-H7 PolarHBondContact O-N 3.19Å; H7-E9 PolarHBondContact O-N 3.15Å
8G55Low67.9Low62 Ų62157.8 Ų157.864%0.63981%0.812SS**  trans-53.7131.1167.100000108Q6 E10Q6-G8 PolarHBondContact O-N 2.88Å; Q6-G8 VanDerWaalsContact O-N 3.15Å; G8-E10 VanDerWaalsContact C-N 3.32Å; G8-E10 PolarHBondContact O-N 3.19Å
9E60.7Low68.8Low202 Ų202153.4 Ų153.494%0.94480%0.801SS**  trans-61.596.9174.2-71.4179.6154.900108H7H7-E9 PolarHBondContact O-N 3.15Å
10E70.1Confident69.7Low174 Ų174151.6 Ų151.681%0.81379%0.789SS**  trans-64.1147.4168-67.5-177.4169.300109G8 V12G8-E10 VanDerWaalsContact C-N 3.32Å; G8-E10 PolarHBondContact O-N 3.19Å; E10-V12 PolarHBondContact O-N 2.77Å; E10-V12 VanDerWaalsContact O-N 3.12Å
11E71.4Confident70.3Confident184 Ų184149.4 Ų149.486%0.8678%0.777SS**  trans-58.2118.3178.3-87.5-173.7151.700110.2E13E11-E13 PolarHBondContact O-N 2.95Å
12V79.1Confident71.9Confident132 Ų132141.3 Ų141.380%0.875%0.746SS**  trans-78.1106.1178178.80000109E10E10-V12 PolarHBondContact O-N 2.77Å; E10-V12 VanDerWaalsContact O-N 3.12Å
13E86.1Confident73.7Confident141 Ų141140.7 Ų140.766%0.65973%0.732SS**  trans-82.2127.2172.9-64.8-175.1179.300111E11 F15E11-E13 PolarHBondContact O-N 2.95Å; E13-F15 HydrophobicContact CB-CD2 4.46Å; E13-F15 HydrophobicContact CB-CE2 3.62Å; E13-F15 HydrophobicContact CB-CZ 4.05Å; E13-F15 VanDerWaalsContact OE2-CZ 3.23Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.28Å
14T87.8Confident75.5Confident130 Ų130134.4 Ų134.480%0.79871%0.705SS**  trans-109.1124.3177.9-59.80000109.9
15F89.6Confident77Confident160 Ų160126.3 Ų126.370%0.70267%0.667SS**  trans-115.3143.9175.7-60-86.6000110.5E13E13-F15 HydrophobicContact CB-CD2 4.46Å; E13-F15 HydrophobicContact CB-CE2 3.62Å; E13-F15 HydrophobicContact CB-CZ 4.05Å; E13-F15 VanDerWaalsContact OE2-CZ 3.23Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.28Å
16A90.4Very high78.5Confident80 Ų80123.8 Ų123.866%0.66166%0.655SS**  trans-76.4141.7170.800000110.4Q18A16-Q18 PolarHBondContact O-N 3.32Å; A16-Q18 PolarHBondContact O-NE2 3.47Å
17F89.9Confident80Confident214 Ų214118.8 Ų118.894%0.93963%0.633SS**  trans-55.7135172.5-71.1-74.3000111
18Q86.6Confident81.3Confident175 Ų175111.1 Ų111.182%0.81860%0.598SS**  trans-109.6152.5173.6-60.2-59.8-53.500109.4A16A16-Q18 PolarHBondContact O-N 3.32Å; A16-Q18 PolarHBondContact O-NE2 3.47Å
19A84.8Confident82.7Confident73 Ų73109 Ų10960%0.60357%0.572SS**  trans-133.6130.5175.900000110.5I21A19-I21 PolarHBondContact O-N 3.47Å
20E85.8Confident83.7Confident118 Ų118104.7 Ų104.755%0.55156%0.555SS**  trans-81.1102176.3-170.6-179.615300110.1A22 Q23 L24E20-A22 VanDerWaalsContact C-N 3.29Å; E20-A22 PolarHBondContact O-N 2.66Å; E20-Q23 HydrophobicContact CB-CB 4.48Å; E20-Q23 HydrophobicContact CG-CB 4.46Å; E20-Q23 HydrophobicContact CG-CG 4.31Å; E20-Q23 PolarHBondContact O-N 3.04Å; E20-Q23 WeakPolarHBondContact OE1-CG 3.41Å; E20-Q23 PolarHBondContact OE1-NE2 3.28Å; E20-Q23 PolarHBondContact OE2-NE2 3.09Å; E20-L24 WeakPolarHBondContact O-CB 3.36Å; E20-L24 PolarHBondContact O-N 3.11Å
21I83.1Confident84.3Confident105 Ų105100.6 Ų100.654%0.53854%0.542SS..Hα-helixtrans-58.7-39.1-172-64.3174.9000112.2A19 Q23 L24 M25 I105A19-I21 PolarHBondContact O-N 3.47Å; I21-Q23 PolarHBondContact O-N 3.44Å; I21-L24 PolarHBondContact O-N 3.1Å; I21-M25 VanDerWaalsContact O-CB 3.31Å; I21-M25 WeakPolarHBondContact O-CB 3.41Å; I21-M25 PolarHBondContact O-N 3.32Å; I21-I105 HydrophobicContact CG2-CD1 4.01Å
22A78.7Confident84.8Confident60 Ų6094.5 Ų94.550%0.49651%0.513SS..Hα-helixtrans-61.2-45.5-179.500000112E20 S26E20-A22 VanDerWaalsContact C-N 3.29Å; E20-A22 PolarHBondContact O-N 2.66Å; A22-S26 PolarHBondContact O-N 3.42Å
23Q83.6Confident85.1Confident115 Ų11589 Ų8954%0.53748%0.478SS..Hα-helixtrans-70.4-42.5175.7-72.1-176.923.700112E20 I21 M25 S26 L27E20-Q23 HydrophobicContact CB-CB 4.48Å; E20-Q23 HydrophobicContact CG-CB 4.46Å; E20-Q23 HydrophobicContact CG-CG 4.31Å; E20-Q23 PolarHBondContact O-N 3.04Å; E20-Q23 WeakPolarHBondContact OE1-CG 3.41Å; E20-Q23 PolarHBondContact OE1-NE2 3.28Å; E20-Q23 PolarHBondContact OE2-NE2 3.09Å; I21-Q23 PolarHBondContact O-N 3.44Å; Q23-M25 VanDerWaalsContact C-N 3.25Å; Q23-M25 PolarHBondContact O-N 2.97Å; Q23-S26 WeakPolarHBondContact O-CB 3.42Å; Q23-S26 PolarHBondContact O-N 2.74Å; Q23-L27 WeakPolarHBondContact O-CG 3.42Å; Q23-L27 PolarHBondContact O-N 3.08Å
24L85.4Confident85Confident53 Ų5387.4 Ų87.428%0.27748%0.482SS..Hα-helixtrans-60-38.6179.1-176.259.6000111.7E20 I21 L27 I28 I105E20-L24 WeakPolarHBondContact O-CB 3.36Å; E20-L24 PolarHBondContact O-N 3.11Å; I21-L24 PolarHBondContact O-N 3.1Å; L24-L27 WeakPolarHBondContact O-CB 3.46Å; L24-L27 PolarHBondContact O-N 2.72Å; L24-I28 HydrophobicContact CG-CD1 4.18Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.23Å; L24-I105 HydrophobicContact CB-CD1 4.49Å; L24-I105 HydrophobicContact CD2-CB 4.38Å; L24-I105 HydrophobicContact CD2-CD1 3.94Å; L24-I105 HydrophobicContact CD2-CG2 3.82Å; L24-I105 HydrophobicContact CG-CD1 4.15Å; L24-I105 HydrophobicContact CG-CG2 4.38Å
25M84Confident85Confident12 Ų1283.7 Ų83.76%0.05946%0.457CS..Hα-helixtrans-71.3-39.1178.2-165.933.65400112.4I21 Q23 L27 I28 I29 I105 Y134 A161I21-M25 VanDerWaalsContact O-CB 3.31Å; I21-M25 WeakPolarHBondContact O-CB 3.41Å; I21-M25 PolarHBondContact O-N 3.32Å; Q23-M25 VanDerWaalsContact C-N 3.25Å; Q23-M25 PolarHBondContact O-N 2.97Å; M25-L27 VanDerWaalsContact C-N 3.29Å; M25-L27 PolarHBondContact O-N 3.39Å; M25-I28 HydrophobicContact CE-CB 4.21Å; M25-I28 HydrophobicContact CE-CD1 3.52Å; M25-I28 HydrophobicContact CE-CG1 4.43Å; M25-I28 HydrophobicContact CE-CG2 4.4Å; M25-I28 PolarHBondContact O-N 2.82Å; M25-I28 HydrophobicContact SD-CB 4.32Å; M25-I28 HydrophobicContact SD-CG2 4.47Å; M25-I29 HydrophobicContact CG-CD1 4.08Å; M25-I29 VanDerWaalsContact O-CG1 3.3Å; M25-I29 WeakPolarHBondContact O-CG1 3.26Å; M25-I29 PolarHBondContact O-N 3.46Å; M25-I29 HydrophobicContact SD-CD1 3.87Å; M25-I29 HydrophobicContact SD-CG1 4Å; M25-I105 HydrophobicContact CE-CD1 3.45Å; M25-I105 VanDerWaalsContact CE-CD1 3.45Å; M25-I105 HydrophobicContact CE-CG1 3.73Å; M25-Y134 HydrophobicContact CE-CD1 3.72Å; M25-Y134 HydrophobicContact CE-CD2 3.57Å; M25-Y134 HydrophobicContact CE-CE1 4.16Å; M25-Y134 HydrophobicContact CE-CE2 4Å; M25-Y134 HydrophobicContact CE-CG 3.41Å; M25-Y134 VanDerWaalsContact CE-CG 3.41Å; M25-Y134 HydrophobicContact SD-CD1 3.91Å; M25-Y134 HydrophobicContact SD-CG 3.79Å; M25-A161 HydrophobicContact CG-CB 4.34Å
26S84.3Confident85.2Confident61 Ų6179.9 Ų79.943%0.42744%0.44SS..Hα-helixtrans-59.2-39.4169.2-176.40000112.3A22 Q23 I29 N30A22-S26 PolarHBondContact O-N 3.42Å; Q23-S26 WeakPolarHBondContact O-CB 3.42Å; Q23-S26 PolarHBondContact O-N 2.74Å; S26-I29 PolarHBondContact O-N 2.96Å; S26-N30 VanDerWaalsContact O-CB 3.26Å; S26-N30 WeakPolarHBondContact O-CB 3.48Å; S26-N30 PolarHBondContact O-N 3.4Å; S26-N30 PolarHBondContact O-ND2 3.36Å; S26-N30 PolarHBondContact OG-ND2 3.22Å; S26-N30 VanDerWaalsContact OG-ND2 3.15Å
27L86.4Confident85.4Confident81 Ų8176.5 Ų76.542%0.42441%0.411SS..Hα-helixtrans-65.8-45.4176.7-72.9171000112.1Q23 L24 M25 I29 N30 T31 F32Q23-L27 WeakPolarHBondContact O-CG 3.42Å; Q23-L27 PolarHBondContact O-N 3.08Å; L24-L27 WeakPolarHBondContact O-CB 3.46Å; L24-L27 PolarHBondContact O-N 2.72Å; M25-L27 VanDerWaalsContact C-N 3.29Å; M25-L27 PolarHBondContact O-N 3.39Å; L27-I29 VanDerWaalsContact C-N 3.29Å; L27-I29 PolarHBondContact O-N 3.43Å; L27-N30 PolarHBondContact O-N 2.88Å; L27-T31 HydrophobicContact CD2-CG2 3.95Å; L27-T31 WeakPolarHBondContact O-CA 3.49Å; L27-T31 WeakPolarHBondContact O-CB 3.46Å; L27-T31 PolarHBondContact O-N 2.87Å; L27-T31 PolarHBondContact O-OG1 3.03Å; L27-F32 PolarHBondContact O-N 2.9Å
28I84.8Confident85.5Confident1 Ų166.3 Ų66.31%0.00537%0.366CS..Hα-helixtrans-59.7-42.5178.2-71.4164.2000110.8L24 M25 F32 I105 V131L24-I28 HydrophobicContact CG-CD1 4.18Å; L24-I28 WeakPolarHBondContact O-CG1 3.39Å; L24-I28 PolarHBondContact O-N 3.23Å; M25-I28 HydrophobicContact CE-CB 4.21Å; M25-I28 HydrophobicContact CE-CD1 3.52Å; M25-I28 HydrophobicContact CE-CG1 4.43Å; M25-I28 HydrophobicContact CE-CG2 4.4Å; M25-I28 PolarHBondContact O-N 2.82Å; M25-I28 HydrophobicContact SD-CB 4.32Å; M25-I28 HydrophobicContact SD-CG2 4.47Å; I28-F32 HydrophobicContact CB-CD2 4.32Å; I28-F32 HydrophobicContact CG1-CD2 3.86Å; I28-F32 HydrophobicContact CG1-CE2 3.61Å; I28-F32 HydrophobicContact CG1-CZ 4.17Å; I28-F32 HydrophobicContact CG2-CD2 4.49Å; I28-I105 HydrophobicContact CD1-CD1 4.4Å; I28-I105 HydrophobicContact CD1-CG2 3.64Å; I28-V131 HydrophobicContact CD1-CG1 4.19Å
29I84.1Confident85.9Confident19 Ų1958 Ų5810%0.09733%0.327CS..Hα-helixtrans-74.1-44.2-179.1-62.4165.5000111M25 S26 L27 Y137 L138 A161M25-I29 HydrophobicContact CG-CD1 4.08Å; M25-I29 VanDerWaalsContact O-CG1 3.3Å; M25-I29 WeakPolarHBondContact O-CG1 3.26Å; M25-I29 PolarHBondContact O-N 3.46Å; M25-I29 HydrophobicContact SD-CD1 3.87Å; M25-I29 HydrophobicContact SD-CG1 4Å; S26-I29 PolarHBondContact O-N 2.96Å; L27-I29 VanDerWaalsContact C-N 3.29Å; L27-I29 PolarHBondContact O-N 3.43Å; I29-Y137 HydrophobicContact CD1-CG 4.24Å; I29-L138 HydrophobicContact CG2-CD2 4.37Å; I29-L138 WeakPolarHBondContact O-CD2 3.31Å; I29-A161 HydrophobicContact CD1-CB 4Å
30N80.6Confident86.5Confident110 Ų11054.6 Ų54.659%0.58830%0.299SS*.Hα-helixtrans-98.5-18.3-167.6-63.1-52.8000115S26 L27S26-N30 VanDerWaalsContact O-CB 3.26Å; S26-N30 WeakPolarHBondContact O-CB 3.48Å; S26-N30 PolarHBondContact O-N 3.4Å; S26-N30 PolarHBondContact O-ND2 3.36Å; S26-N30 PolarHBondContact OG-ND2 3.22Å; S26-N30 VanDerWaalsContact OG-ND2 3.15Å; L27-N30 PolarHBondContact O-N 2.88Å
31T83.9Confident86.9Confident88 Ų8849.1 Ų49.154%0.5427%0.273SS..THydrogen-bonded Turntrans-123.7-24.4-170.667.10000114.8L27L27-T31 HydrophobicContact CD2-CG2 3.95Å; L27-T31 WeakPolarHBondContact O-CA 3.49Å; L27-T31 WeakPolarHBondContact O-CB 3.46Å; L27-T31 PolarHBondContact O-N 2.87Å; L27-T31 PolarHBondContact O-OG1 3.03Å
32F82Confident87.4Confident57 Ų5744.3 Ų44.325%0.2525%0.249CC..SBendtrans-79.2-24.4-174.4-76.716000113.7L27 I28 I392 S393L27-F32 PolarHBondContact O-N 2.9Å; I28-F32 HydrophobicContact CB-CD2 4.32Å; I28-F32 HydrophobicContact CG1-CD2 3.86Å; I28-F32 HydrophobicContact CG1-CE2 3.61Å; I28-F32 HydrophobicContact CG1-CZ 4.17Å; I28-F32 HydrophobicContact CG2-CD2 4.49Å; F32-I392 HydrophobicContact CD2-CD1 3.84Å; F32-I392 HydrophobicContact CD2-CG1 3.95Å; F32-I392 HydrophobicContact CD2-CG2 4.33Å; F32-I392 HydrophobicContact CE2-CD1 3.42Å; F32-I392 VanDerWaalsContact CE2-CD1 3.42Å; F32-I392 HydrophobicContact CE2-CG1 4.07Å; F32-I392 HydrophobicContact CG-CG2 4.45Å; F32-I392 HydrophobicContact CZ-CD1 4.18Å; F32-S393 WeakPolarHBondContact O-CB 3.29Å
33Y85.9Confident88.3Confident17 Ų1741.7 Ų41.77%0.06723%0.226CC..  trans-120.6134-175.6-59.8-76.7000110.5I38 L138Y33-I38 HydrophobicContact CD1-CD1 3.28Å; Y33-I38 HydrophobicContact CD1-CG1 3.66Å; Y33-I38 HydrophobicContact CD2-CD1 4.09Å; Y33-I38 HydrophobicContact CE1-CD1 3.46Å; Y33-I38 VanDerWaalsContact CE1-CD1 3.46Å; Y33-I38 HydrophobicContact CE1-CG1 4.25Å; Y33-I38 HydrophobicContact CE2-CD1 4.24Å; Y33-I38 HydrophobicContact CG-CD1 3.6Å; Y33-I38 HydrophobicContact CG-CG1 4.01Å; Y33-L138 HydrophobicContact CD2-CD1 4.03Å; Y33-L138 HydrophobicContact CG-CD1 4.11Å
34S82.9Confident88.9Confident106 Ų10636.2 Ų36.274%0.74120%0.201SC*.SBendtrans-88-36.8176.967.70000111.8E395S34-E395 PolarHBondContact OG-OE2 3.31Å
35N88.9Confident89.3Confident52 Ų5233.8 Ų33.828%0.27819%0.188SC..  trans-112.3128.6-178.1-167.9-17.4000110.6E37 I38N35-E37 VanDerWaalsContact C-N 3.3Å; N35-E37 PolarHBondContact ND2-OE1 2.86Å; N35-E37 PolarHBondContact O-N 3.4Å; N35-E37 WeakPolarHBondContact OD1-CG 3.48Å; N35-E37 PolarHBondContact OD1-N 2.92Å; N35-E37 VanDerWaalsContact OD1-N 3.17Å; N35-I38 WeakPolarHBondContact O-CG1 3.36Å
36K93.4Very high89.8Confident80 Ų8035.7 Ų35.735%0.34820%0.198SC..THydrogen-bonded Turntrans-69-28.1-178.5-66.4-176.1-179.2177.30112.8I38 F39 L138 V139 D188K36-I38 PolarHBondContact O-N 2.84Å; K36-F39 VanDerWaalsContact O-CD1 3.31Å; K36-F39 WeakPolarHBondContact O-CD1 3.41Å; K36-F39 PolarHBondContact O-N 3.29Å; K36-L138 HydrophobicContact CB-CB 4.49Å; K36-L138 HydrophobicContact CG-CB 4.4Å; K36-V139 HydrophobicContact CB-CG1 4.05Å; K36-D188 IonicContact NZ-OD2 3.46Å
37E93.6Very high90.3Very high9 Ų932.9 Ų32.94%0.04218%0.179CC..THydrogen-bonded Turntrans-62.9-15.9-173.881.3-169.9-169.500114.1N35 F39 L40 Y192 R197 V201 K204 H205N35-E37 VanDerWaalsContact C-N 3.3Å; N35-E37 PolarHBondContact ND2-OE1 2.86Å; N35-E37 PolarHBondContact O-N 3.4Å; N35-E37 WeakPolarHBondContact OD1-CG 3.48Å; N35-E37 PolarHBondContact OD1-N 2.92Å; N35-E37 VanDerWaalsContact OD1-N 3.17Å; E37-F39 PolarHBondContact O-N 3.43Å; E37-F39 VanDerWaalsContact O-N 3.14Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-Y192 HydrophobicContact CB-CE1 4.2Å; E37-R197 IonicContact OE2-CZ 2.78Å; E37-R197 IonicContact OE2-NH1 3.2Å; E37-R197 PolarHBondContact OE2-NH1 3.05Å; E37-R197 IonicContact OE2-NH2 4Å; E37-R197 PolarHBondContact OE2-NH2 3.32Å; E37-V201 HydrophobicContact CB-CG1 4.31Å; E37-V201 HydrophobicContact CB-CG2 3.93Å; E37-V201 WeakPolarHBondContact O-CG1 3.41Å; E37-K204 WeakPolarHBondContact OE1-CE 3.45Å; E37-K204 IonicContact OE1-NZ 2.65Å; E37-K204 PolarHBondContact OE1-NZ 2.68Å; E37-H205 IonicContact OE1-CE1 3.2Å; E37-H205 IonicContact OE1-NE2 2.83Å; E37-H205 PolarHBondContact OE1-NE2 2.77Å
38I92.3Very high90.7Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-62.3-17.2178.364.288.5000113.3Y33 N35 K36 L40 R41 E42 S135 L138 E395Y33-I38 HydrophobicContact CD1-CD1 3.28Å; Y33-I38 HydrophobicContact CD1-CG1 3.66Å; Y33-I38 HydrophobicContact CD2-CD1 4.09Å; Y33-I38 HydrophobicContact CE1-CD1 3.46Å; Y33-I38 VanDerWaalsContact CE1-CD1 3.46Å; Y33-I38 HydrophobicContact CE1-CG1 4.25Å; Y33-I38 HydrophobicContact CE2-CD1 4.24Å; Y33-I38 HydrophobicContact CG-CD1 3.6Å; Y33-I38 HydrophobicContact CG-CG1 4.01Å; N35-I38 WeakPolarHBondContact O-CG1 3.36Å; K36-I38 PolarHBondContact O-N 2.84Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 3.43Å; I38-R41 WeakPolarHBondContact O-CA 3.3Å; I38-R41 WeakPolarHBondContact O-CB 3.47Å; I38-R41 PolarHBondContact O-N 3.21Å; I38-E42 HydrophobicContact CD1-CG 4.08Å; I38-E42 PolarHBondContact O-N 3.43Å; I38-S135 VanDerWaalsContact CD1-CB 3.44Å; I38-L138 HydrophobicContact CD1-CD1 3.73Å; I38-L138 HydrophobicContact CG1-CD1 4.05Å; I38-E395 WeakPolarHBondContact CG2-OE1 3.41Å
39F95.6Very high91.1Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-58.1-41.3-179.883.1-82.1000111.6K36 E37 E42 L43 L84 V139 L183 Y192K36-F39 VanDerWaalsContact O-CD1 3.31Å; K36-F39 WeakPolarHBondContact O-CD1 3.41Å; K36-F39 PolarHBondContact O-N 3.29Å; E37-F39 PolarHBondContact O-N 3.43Å; E37-F39 VanDerWaalsContact O-N 3.14Å; F39-E42 PolarHBondContact O-N 2.91Å; F39-L43 HydrophobicContact CD2-CD1 4.05Å; F39-L43 WeakPolarHBondContact O-CB 3.33Å; F39-L43 VanDerWaalsContact O-CG 3.25Å; F39-L43 WeakPolarHBondContact O-CG 3.5Å; F39-L43 PolarHBondContact O-N 3.43Å; F39-L84 HydrophobicContact CE2-CD2 4Å; F39-L84 HydrophobicContact CZ-CD2 4.06Å; F39-V139 HydrophobicContact CB-CG2 4.32Å; F39-V139 HydrophobicContact CD1-CB 4.41Å; F39-V139 HydrophobicContact CD1-CG1 3.79Å; F39-V139 HydrophobicContact CD1-CG2 3.72Å; F39-V139 HydrophobicContact CD2-CG2 3.62Å; F39-V139 HydrophobicContact CE1-CB 4.41Å; F39-V139 HydrophobicContact CE1-CG1 3.95Å; F39-V139 HydrophobicContact CE1-CG2 3.82Å; F39-V139 HydrophobicContact CE2-CG2 3.74Å; F39-V139 HydrophobicContact CG-CG1 4.39Å; F39-V139 HydrophobicContact CG-CG2 3.6Å; F39-V139 HydrophobicContact CZ-CG2 3.82Å; F39-L183 HydrophobicContact CD2-CD1 3.81Å; F39-L183 HydrophobicContact CE2-CD1 3.54Å; F39-Y192 AromaticContact CE1-CD1 3.54Å; F39-Y192 HydrophobicContact CE1-CD1 3.54Å; F39-Y192 HydrophobicContact CE1-CD2 4.02Å; F39-Y192 AromaticContact CE1-CE1 3.72Å; F39-Y192 HydrophobicContact CE1-CE1 3.72Å; F39-Y192 HydrophobicContact CE1-CE2 4.2Å; F39-Y192 AromaticContact CE1-CG 3.72Å; F39-Y192 HydrophobicContact CE1-CG 3.72Å; F39-Y192 AromaticContact CZ-CD1 3.93Å; F39-Y192 HydrophobicContact CZ-CD1 3.93Å; F39-Y192 HydrophobicContact CZ-CD2 4.37Å; F39-Y192 AromaticContact CZ-CG 3.85Å; F39-Y192 HydrophobicContact CZ-CG 3.85Å
40L96.1Very high91.6Very high3 Ų329 Ų292%0.01616%0.161CC..Hα-helixtrans-66.6-39.7175.8-79.6177.4000111.5E37 I38 E42 L43 I44 L84 V201E37-L40 PolarHBondContact O-N 3.3Å; I38-L40 VanDerWaalsContact C-N 3.27Å; I38-L40 PolarHBondContact O-N 3.43Å; L40-E42 PolarHBondContact O-N 2.9Å; L40-L43 PolarHBondContact O-N 2.68Å; L40-I44 HydrophobicContact CB-CD1 4.46Å; L40-I44 VanDerWaalsContact O-CB 3.28Å; L40-I44 WeakPolarHBondContact O-CB 3.46Å; L40-I44 WeakPolarHBondContact O-CD1 3.33Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.14Å; L40-L84 HydrophobicContact CD2-CD2 4.06Å; L40-V201 HydrophobicContact CB-CG1 3.86Å; L40-V201 HydrophobicContact CD1-CB 4.22Å; L40-V201 HydrophobicContact CD1-CG1 3.94Å; L40-V201 HydrophobicContact CG-CG1 4.46Å
41R95.1Very high92.3Very high3 Ų323.7 Ų23.71%0.01113%0.133CC..Hα-helixtrans-57.7-49.3175.1179.7-167.973.9-164.7-1.5110.7I38 S45 H205 V362 S393I38-R41 WeakPolarHBondContact O-CA 3.3Å; I38-R41 WeakPolarHBondContact O-CB 3.47Å; I38-R41 PolarHBondContact O-N 3.21Å; R41-S45 VanDerWaalsContact O-CB 3.26Å; R41-S45 WeakPolarHBondContact O-CB 3.38Å; R41-S45 PolarHBondContact O-N 3.08Å; R41-S45 PolarHBondContact O-OG 3.46Å; R41-H205 HydrophobicContact CB-CB 3.8Å; R41-H205 HydrophobicContact CG-CB 3.88Å; R41-V362 HydrophobicContact CG-CG1 3.95Å; R41-S393 PolarHBondContact NH2-O 3.03Å
42E93.9Very high92.7Very high4 Ų420.4 Ų20.42%0.01911%0.112CC..Hα-helixtrans-65.4-43.5-178.8-64.8-57.1129.700111.7I38 F39 L40 S45 N46 G132I38-E42 HydrophobicContact CD1-CG 4.08Å; I38-E42 PolarHBondContact O-N 3.43Å; F39-E42 PolarHBondContact O-N 2.91Å; L40-E42 PolarHBondContact O-N 2.9Å; E42-S45 PolarHBondContact O-N 2.95Å; E42-N46 PolarHBondContact O-N 2.7Å; E42-N46 PolarHBondContact O-ND2 2.8Å; E42-G132 WeakPolarHBondContact CB-O 3.3Å; E42-G132 WeakPolarHBondContact OE2-CA 3.46Å
43L96.4Very high93.1Very high5 Ų519.2 Ų19.23%0.02611%0.106CC..Hα-helixtrans-67.1-43.6179.6-67175000112.3F39 L40 S45 N46 A47 L86 F133 V181 L183F39-L43 HydrophobicContact CD2-CD1 4.05Å; F39-L43 WeakPolarHBondContact O-CB 3.33Å; F39-L43 VanDerWaalsContact O-CG 3.25Å; F39-L43 WeakPolarHBondContact O-CG 3.5Å; F39-L43 PolarHBondContact O-N 3.43Å; L40-L43 PolarHBondContact O-N 2.68Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 2.54Å; L43-N46 PolarHBondContact O-N 2.83Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.98Å; L43-L86 HydrophobicContact CB-CD2 3.58Å; L43-F133 HydrophobicContact CD2-CD2 4.21Å; L43-V181 HydrophobicContact CD2-CG1 4.3Å; L43-L183 HydrophobicContact CD1-CD1 3.75Å; L43-L183 HydrophobicContact CD1-CD2 4.25Å; L43-L183 HydrophobicContact CD1-CG 4.45Å
44I96.4Very high93.5Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-64.5-38.5175.1-67.3167.5000110.6L40 A47 S48 I73 I75 L86 V202 I209 I213L40-I44 HydrophobicContact CB-CD1 4.46Å; L40-I44 VanDerWaalsContact O-CB 3.28Å; L40-I44 WeakPolarHBondContact O-CB 3.46Å; L40-I44 WeakPolarHBondContact O-CD1 3.33Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.14Å; I44-A47 PolarHBondContact O-N 2.96Å; I44-S48 PolarHBondContact O-N 3.41Å; I44-I73 HydrophobicContact CG2-CD1 3.99Å; I44-I75 HydrophobicContact CD1-CD1 4.22Å; I44-L86 HydrophobicContact CG1-CD1 4.38Å; I44-V202 HydrophobicContact CD1-CG2 3.97Å; I44-I209 HydrophobicContact CG2-CG1 4.09Å; I44-I213 HydrophobicContact CG2-CD1 3.78Å
45S93.8Very high93.9Very high1 Ų118.9 Ų18.91%0.0079%0.089CC..Hα-helixtrans-62.9-42.9175.9-60.40000111.5R41 E42 L43 S48 D49R41-S45 VanDerWaalsContact O-CB 3.26Å; R41-S45 WeakPolarHBondContact O-CB 3.38Å; R41-S45 PolarHBondContact O-N 3.08Å; R41-S45 PolarHBondContact O-OG 3.46Å; E42-S45 PolarHBondContact O-N 2.95Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 2.54Å; S45-S48 PolarHBondContact O-N 2.91Å; S45-D49 PolarHBondContact O-N 3.26Å
46N94.5Very high93.9Very high52 Ų5219 Ų1928%0.2789%0.086SC..Hα-helixtrans-64.8-40176.1-67.6-29.1000112E42 L43 D49 A50E42-N46 PolarHBondContact O-N 2.7Å; E42-N46 PolarHBondContact O-ND2 2.8Å; L43-N46 PolarHBondContact O-N 2.83Å; N46-D49 PolarHBondContact O-N 2.98Å; N46-A50 PolarHBondContact O-N 2.6Å
47A96.2Very high93.7Very high3 Ų318 Ų183%0.0258%0.083CC..Hα-helixtrans-62.3-43.9174.400000111.5L43 I44 D49 A50 L51 I73 L86 D88L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.98Å; I44-A47 PolarHBondContact O-N 2.96Å; A47-D49 PolarHBondContact O-N 3.29Å; A47-A50 WeakPolarHBondContact O-CB 3.44Å; A47-A50 PolarHBondContact O-N 3.47Å; A47-L51 WeakPolarHBondContact O-CG 3.38Å; A47-L51 PolarHBondContact O-N 2.71Å; A47-I73 HydrophobicContact CB-CD1 3.7Å; A47-I73 HydrophobicContact CB-CG1 3.96Å; A47-I73 HydrophobicContact CB-CG2 4.26Å; A47-L86 HydrophobicContact CB-CD2 4.46Å; A47-D88 HydrophobicContact CB-CB 3.57Å
48S94.3Very high93.6Very high2 Ų218.5 Ų18.51%0.0149%0.087CC..Hα-helixtrans-59.9-45.2174.2-171.60000111.9I44 S45 A50 L51 D52I44-S48 PolarHBondContact O-N 3.41Å; S45-S48 PolarHBondContact O-N 2.91Å; S48-A50 VanDerWaalsContact C-N 3.27Å; S48-A50 PolarHBondContact O-N 3.38Å; S48-L51 PolarHBondContact O-N 3.48Å; S48-L51 VanDerWaalsContact O-N 3.16Å; S48-D52 PolarHBondContact O-N 3.35Å
49D92.9Very high93.4Very high1 Ų124.2 Ų24.21%0.00512%0.117CC..Hα-helixtrans-59.7-38.2176-77.6-11000111.4S45 N46 A47 D52 K53 T110 M125 I126 G127S45-D49 PolarHBondContact O-N 3.26Å; N46-D49 PolarHBondContact O-N 2.98Å; A47-D49 PolarHBondContact O-N 3.29Å; D49-D52 PolarHBondContact O-N 3.31Å; D49-K53 VanDerWaalsContact O-CG 3.31Å; D49-K53 WeakPolarHBondContact O-CG 3.42Å; D49-K53 PolarHBondContact O-N 2.92Å; D49-T110 HydrophobicContact CB-CG2 4.4Å; D49-T110 WeakPolarHBondContact OD2-CG2 3.5Å; D49-M125 WeakPolarHBondContact OD1-CA 3.1Å; D49-I126 PolarHBondContact OD1-N 3.43Å; D49-G127 WeakPolarHBondContact OD2-CA 3.35Å; D49-G127 PolarHBondContact OD2-N 3.38Å
50A94.7Very high93Very high15 Ų1528.7 Ų28.712%0.12414%0.144CC..Hα-helixtrans-69-35177.300000112.6N46 A47 S48 I54 G90 I91N46-A50 PolarHBondContact O-N 2.6Å; A47-A50 WeakPolarHBondContact O-CB 3.44Å; A47-A50 PolarHBondContact O-N 3.47Å; S48-A50 VanDerWaalsContact C-N 3.27Å; S48-A50 PolarHBondContact O-N 3.38Å; A50-I54 PolarHBondContact O-N 3.16Å; A50-G90 WeakPolarHBondContact O-CA 3.38Å; A50-I91 PolarHBondContact O-N 3.37Å; A50-I91 VanDerWaalsContact O-N 3.09Å
51L94.8Very high92.7Very high0 Ų031.4 Ų31.40%016%0.159CC..Hα-helixtrans-69-39.9173.4-67.8167.6000111.4A47 S48 K53 I54 R55 L71 I73 Y211A47-L51 WeakPolarHBondContact O-CG 3.38Å; A47-L51 PolarHBondContact O-N 2.71Å; S48-L51 PolarHBondContact O-N 3.48Å; S48-L51 VanDerWaalsContact O-N 3.16Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 2.92Å; L51-I54 WeakPolarHBondContact O-CG2 3.27Å; L51-I54 PolarHBondContact O-N 2.85Å; L51-R55 VanDerWaalsContact O-CB 3.27Å; L51-R55 WeakPolarHBondContact O-CB 3.39Å; L51-R55 PolarHBondContact O-N 3.14Å; L51-L71 HydrophobicContact CD2-CB 3.95Å; L51-L71 HydrophobicContact CD2-CD2 3.93Å; L51-I73 HydrophobicContact CD1-CD1 4.05Å; L51-I73 HydrophobicContact CD1-CG1 3.58Å; L51-Y211 HydrophobicContact CB-CD1 4.07Å; L51-Y211 HydrophobicContact CB-CD2 3.78Å; L51-Y211 HydrophobicContact CB-CE1 3.87Å; L51-Y211 HydrophobicContact CB-CE2 3.57Å; L51-Y211 HydrophobicContact CB-CG 4.04Å; L51-Y211 HydrophobicContact CD1-CD1 4.01Å; L51-Y211 HydrophobicContact CD1-CD2 3.78Å; L51-Y211 HydrophobicContact CD1-CE2 4.44Å; L51-Y211 HydrophobicContact CD1-CG 3.54Å; L51-Y211 HydrophobicContact CG-CD2 4.44Å; L51-Y211 HydrophobicContact CG-CG 4.39Å
52D91.8Very high92.6Very high18 Ų1835.7 Ų35.710%0.09619%0.187CC..Hα-helixtrans-64.6-37.4174.9-76.8-37.6000112.4S48 D49 R55 Y56 M125 Y211S48-D52 PolarHBondContact O-N 3.35Å; D49-D52 PolarHBondContact O-N 3.31Å; D52-R55 PolarHBondContact O-N 2.87Å; D52-Y56 PolarHBondContact O-N 3.41Å; D52-M125 HydrophobicContact CB-CE 4.34Å; D52-Y211 WeakPolarHBondContact CA-OH 3.32Å; D52-Y211 WeakPolarHBondContact OD1-CE2 3.45Å; D52-Y211 PolarHBondContact OD1-OH 3.37Å
53K91.6Very high92.6Very high32 Ų3238.4 Ų38.414%0.13921%0.206CC..Hα-helixtrans-60-52.3174-74.3171.2-169.41720112.1D49 L51 R55 Y56 E57 I91 T110 F113 M125D49-K53 VanDerWaalsContact O-CG 3.31Å; D49-K53 WeakPolarHBondContact O-CG 3.42Å; D49-K53 PolarHBondContact O-N 2.92Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 2.92Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 3.14Å; K53-Y56 PolarHBondContact O-N 2.97Å; K53-E57 WeakPolarHBondContact O-CG 3.3Å; K53-E57 PolarHBondContact O-N 2.78Å; K53-I91 HydrophobicContact CB-CB 4.21Å; K53-I91 HydrophobicContact CB-CD1 4.18Å; K53-I91 HydrophobicContact CB-CG2 3.9Å; K53-I91 HydrophobicContact CD-CG2 4.08Å; K53-T110 PolarHBondContact NZ-OG1 3.37Å; K53-F113 HydrophobicContact CB-CE1 4.46Å; K53-F113 HydrophobicContact CB-CZ 4.25Å; K53-F113 HydrophobicContact CD-CG 4.48Å; K53-F113 HydrophobicContact CG-CD1 3.97Å; K53-F113 HydrophobicContact CG-CD2 4.29Å; K53-F113 HydrophobicContact CG-CE1 3.89Å; K53-F113 HydrophobicContact CG-CE2 4.28Å; K53-F113 HydrophobicContact CG-CG 4.12Å; K53-F113 HydrophobicContact CG-CZ 4.05Å; K53-M125 HydrophobicContact CG-CE 3.58Å; K53-M125 HydrophobicContact CG-SD 4.22Å
54I93.8Very high92.4Very high1 Ų140.4 Ų40.41%0.00522%0.215CC..Hα-helixtrans-67.3-36-179.9-172.266.1000111.5A50 L51 Y56 E57 S58 K64 L65 L71 I91A50-I54 PolarHBondContact O-N 3.16Å; L51-I54 WeakPolarHBondContact O-CG2 3.27Å; L51-I54 PolarHBondContact O-N 2.85Å; I54-Y56 VanDerWaalsContact C-N 3.31Å; I54-Y56 PolarHBondContact O-N 3.31Å; I54-E57 PolarHBondContact O-N 2.82Å; I54-S58 VanDerWaalsContact O-CB 3.32Å; I54-S58 WeakPolarHBondContact O-CB 3.44Å; I54-S58 PolarHBondContact O-N 3.38Å; I54-S58 PolarHBondContact O-OG 3.32Å; I54-K64 HydrophobicContact CD1-CB 4.03Å; I54-L65 HydrophobicContact CG1-CD2 3.79Å; I54-L71 HydrophobicContact CG2-CD2 3.66Å; I54-I91 HydrophobicContact CB-CB 4.04Å; I54-I91 HydrophobicContact CD1-CG1 4.33Å
55R91.6Very high92.3Very high116 Ų11642 Ų4244%0.43822%0.223SC..Hα-helixtrans-58.3-46174-179.3176.2172.7-93.6-3.1110.4L51 D52 K53 S58 L59 L71 Y211L51-R55 VanDerWaalsContact O-CB 3.27Å; L51-R55 WeakPolarHBondContact O-CB 3.39Å; L51-R55 PolarHBondContact O-N 3.14Å; D52-R55 PolarHBondContact O-N 2.87Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 3.14Å; R55-S58 PolarHBondContact O-N 3.09Å; R55-S58 PolarHBondContact O-OG 3.46Å; R55-L59 WeakPolarHBondContact O-CG 3.39Å; R55-L59 PolarHBondContact O-N 2.83Å; R55-L71 HydrophobicContact CB-CD1 4.16Å; R55-Y211 VanDerWaalsContact CD-OH 3.3Å; R55-Y211 WeakPolarHBondContact CD-OH 3.49Å
56Y89.3Confident92.1Very high54 Ų5447.9 Ų47.921%0.21225%0.254CS..Hα-helixtrans-63.5-50.6177-178.6-106.5000113.4D52 K53 I54 S58 L59 F113 L117 A121 I123D52-Y56 PolarHBondContact O-N 3.41Å; K53-Y56 PolarHBondContact O-N 2.97Å; I54-Y56 VanDerWaalsContact C-N 3.31Å; I54-Y56 PolarHBondContact O-N 3.31Å; Y56-S58 PolarHBondContact O-N 2.9Å; Y56-L59 HydrophobicContact CD2-CD1 4.48Å; Y56-L59 WeakPolarHBondContact O-CB 3.3Å; Y56-L59 PolarHBondContact O-N 2.95Å; Y56-F113 HydrophobicContact CD1-CE1 4.27Å; Y56-F113 AromaticContact CD1-CZ 3.73Å; Y56-F113 HydrophobicContact CD1-CZ 3.73Å; Y56-F113 HydrophobicContact CE1-CZ 4.5Å; Y56-F113 HydrophobicContact CG-CZ 4.37Å; Y56-L117 HydrophobicContact CD1-CD2 3.61Å; Y56-L117 HydrophobicContact CD2-CD2 4.28Å; Y56-L117 HydrophobicContact CE1-CD2 3.11Å; Y56-L117 HydrophobicContact CE2-CD2 3.83Å; Y56-L117 HydrophobicContact CG-CD2 4.12Å; Y56-L117 WeakPolarHBondContact OH-CD2 3.3Å; Y56-A121 HydrophobicContact CD2-CB 4.25Å; Y56-A121 HydrophobicContact CE2-CB 3.54Å; Y56-I123 VanDerWaalsContact CB-CD1 3.43Å; Y56-I123 HydrophobicContact CD1-CD1 4.27Å; Y56-I123 HydrophobicContact CD2-CD1 3.17Å; Y56-I123 HydrophobicContact CD2-CG1 4.29Å; Y56-I123 HydrophobicContact CE2-CD1 3.89Å; Y56-I123 HydrophobicContact CG-CD1 3.33Å
57E89.2Confident91.8Very high60 Ų6047.6 Ų47.628%0.2826%0.256SS..Hα-helixtrans-57.6-32177.3-69.5-68.5148.900111.2K53 I54 L59 T60 D61 I91K53-E57 WeakPolarHBondContact O-CG 3.3Å; K53-E57 PolarHBondContact O-N 2.78Å; I54-E57 PolarHBondContact O-N 2.82Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-L59 PolarHBondContact O-N 3.37Å; E57-T60 PolarHBondContact O-N 3.21Å; E57-T60 PolarHBondContact O-OG1 3.47Å; E57-D61 PolarHBondContact O-N 2.69Å; E57-I91 HydrophobicContact CG-CD1 4.11Å
58S91.1Very high91.5Very high18 Ų1848.8 Ų48.813%0.12627%0.269CS..Hα-helixtrans-72.6-21.5175.978.70000114.7I54 R55 Y56 T60 D61I54-S58 VanDerWaalsContact O-CB 3.32Å; I54-S58 WeakPolarHBondContact O-CB 3.44Å; I54-S58 PolarHBondContact O-N 3.38Å; I54-S58 PolarHBondContact O-OG 3.32Å; R55-S58 PolarHBondContact O-N 3.09Å; R55-S58 PolarHBondContact O-OG 3.46Å; Y56-S58 PolarHBondContact O-N 2.9Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-D61 WeakPolarHBondContact CA-O 3.46Å; S58-D61 CarbonylContact O-C 3.58Å
59L88.2Confident91.4Very high121 Ų12156.1 Ų56.163%0.63430%0.301SS*.Hα-helixtrans-72.7-31.7174.4-65.2173.9000111.2R55 Y56 E57R55-L59 WeakPolarHBondContact O-CG 3.39Å; R55-L59 PolarHBondContact O-N 2.83Å; Y56-L59 HydrophobicContact CD2-CD1 4.48Å; Y56-L59 WeakPolarHBondContact O-CB 3.3Å; Y56-L59 PolarHBondContact O-N 2.95Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-L59 PolarHBondContact O-N 3.37Å
60T87.2Confident91.4Very high93 Ų9361.8 Ų61.857%0.57133%0.331SS*.Hα-helixtrans-88.3-38.4176.252.90000111.8E57 S58E57-T60 PolarHBondContact O-N 3.21Å; E57-T60 PolarHBondContact O-OG1 3.47Å; S58-T60 VanDerWaalsContact C-N 3.34Å
61D90.5Very high91.5Very high60 Ų6062.9 Ų62.932%0.32134%0.335SS..  trans-137.995.6179.6-178.84.7000111.9E57 S58 S63 K64E57-D61 PolarHBondContact O-N 2.69Å; S58-D61 WeakPolarHBondContact CA-O 3.46Å; S58-D61 CarbonylContact O-C 3.58Å; D61-S63 VanDerWaalsContact CG-OG 3.22Å; D61-S63 PolarHBondContact O-N 2.63Å; D61-S63 VanDerWaalsContact O-N 3.08Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 3.39Å; D61-S63 PolarHBondContact OD1-OG 2.78Å; D61-S63 PolarHBondContact OD2-OG 3.2Å; D61-K64 HydrophobicContact CB-CG 4.08Å; D61-K64 WeakPolarHBondContact O-CB 3.25Å; D61-K64 WeakPolarHBondContact O-CG 3.3Å; D61-K64 PolarHBondContact O-N 2.86Å; D61-K64 VanDerWaalsContact O-N 3.16Å
62P93.2Very high91.6Very high93 Ų9365.5 Ų65.560%0.60435%0.346SS*.G310 helixtrans-58.6-22.6179.6-27.535.9000115.1K64 L65P62-K64 PolarHBondContact O-N 3.35Å; P62-L65 PolarHBondContact O-N 2.95Å
63S93.6Very high91.9Very high61 Ų6164.6 Ų64.643%0.42734%0.341SS..G310 helixtrans-65.9-20.1-179.973.70000112.7D61 L65 D66D61-S63 VanDerWaalsContact CG-OG 3.22Å; D61-S63 PolarHBondContact O-N 2.63Å; D61-S63 VanDerWaalsContact O-N 3.08Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 3.39Å; D61-S63 PolarHBondContact OD1-OG 2.78Å; D61-S63 PolarHBondContact OD2-OG 3.2Å; S63-L65 PolarHBondContact O-N 3.08Å; S63-L65 VanDerWaalsContact O-N 3.09Å; S63-D66 WeakPolarHBondContact O-CB 3.35Å; S63-D66 PolarHBondContact O-N 3.4Å
64K91.6Very high92.1Very high48 Ų4863.7 Ų63.721%0.20934%0.338CS..G310 helixtrans-61.4-18.6175.5-65-68.5-176.8174.80113.3I54 D61 P62 N150 D151 R177I54-K64 HydrophobicContact CD1-CB 4.03Å; D61-K64 HydrophobicContact CB-CG 4.08Å; D61-K64 WeakPolarHBondContact O-CB 3.25Å; D61-K64 WeakPolarHBondContact O-CG 3.3Å; D61-K64 PolarHBondContact O-N 2.86Å; D61-K64 VanDerWaalsContact O-N 3.16Å; P62-K64 PolarHBondContact O-N 3.35Å; K64-N150 PolarHBondContact O-ND2 3.16Å; K64-D151 IonicContact NZ-OD1 2.62Å; K64-D151 PolarHBondContact NZ-OD1 3.32Å; K64-D151 IonicContact NZ-OD2 3.25Å; K64-R177 PolarHBondContact O-NH1 3.37Å
65L93.6Very high92.3Very high33 Ų3363.7 Ų63.717%0.17334%0.338CS..G310 helixtrans-92.2-1.4176-65.9179.1000114.7I54 P62 S63 S67 G68 K69 L71I54-L65 HydrophobicContact CG1-CD2 3.79Å; P62-L65 PolarHBondContact O-N 2.95Å; S63-L65 PolarHBondContact O-N 3.08Å; S63-L65 VanDerWaalsContact O-N 3.09Å; L65-S67 PolarHBondContact O-N 2.97Å; L65-G68 CarbonylContact O-C 3.55Å; L65-G68 PolarHBondContact O-N 3.2Å; L65-K69 HydrophobicContact CB-CG 4.32Å; L65-L71 HydrophobicContact CD2-CD2 4.4Å
66D91.3Very high92.6Very high124 Ų12460.4 Ų60.466%0.66333%0.331SS*.THydrogen-bonded Turntrans-64.8-26.6-179.1-71.5-20.9000112.6S63 G68S63-D66 WeakPolarHBondContact O-CB 3.35Å; S63-D66 PolarHBondContact O-N 3.4Å; D66-G68 VanDerWaalsContact C-N 3.25Å; D66-G68 PolarHBondContact O-N 3.24Å
67S88.1Confident92.9Very high46 Ų4658.8 Ų58.832%0.32233%0.327SS..THydrogen-bonded Turntrans-77.6-4.1173.855.50000114.5L65 N150L65-S67 PolarHBondContact O-N 2.97Å; S67-N150 WeakPolarHBondContact CB-OD1 3.48Å; S67-N150 PolarHBondContact OG-OD1 3.14Å
68G89.8Confident93.1Very high28 Ų2858.1 Ų58.129%0.28933%0.325SS..  trans159.4118.1177.800000111.7L65 D66 R177L65-G68 CarbonylContact O-C 3.55Å; L65-G68 PolarHBondContact O-N 3.2Å; D66-G68 VanDerWaalsContact C-N 3.25Å; D66-G68 PolarHBondContact O-N 3.24Å; G68-R177 PolarHBondContact O-NH1 3.05Å; G68-R177 PolarHBondContact O-NH2 3.28Å
69K91.8Very high93.2Very high156 Ų15661.4 Ų61.468%0.67835%0.346SS*.  trans-88.7-24.5-178.3-65.6-174.7179.4-178.70113.5L65 L71L65-K69 HydrophobicContact CB-CG 4.32Å; K69-L71 PolarHBondContact O-N 3.27Å
70D93.1Very high93.3Very high121 Ų12164 Ų6465%0.64735%0.347SS*.  trans-75.3126.8-177.6-60.1-34.9000110.6T89D70-T89 VanDerWaalsContact O-CB 3.28Å; D70-T89 WeakPolarHBondContact O-CB 3.33Å; D70-T89 PolarHBondContact O-OG1 3.07Å
71L96.2Very high93.6Very high38 Ų3864.7 Ų64.720%0.19935%0.347CS..  trans-110.3100.6178.1-61.6-175.1000109L51 I54 R55 L65 K69 T89 Y211 P212L51-L71 HydrophobicContact CD2-CB 3.95Å; L51-L71 HydrophobicContact CD2-CD2 3.93Å; I54-L71 HydrophobicContact CG2-CD2 3.66Å; R55-L71 HydrophobicContact CB-CD1 4.16Å; L65-L71 HydrophobicContact CD2-CD2 4.4Å; K69-L71 PolarHBondContact O-N 3.27Å; L71-T89 WeakPolarHBondContact CA-OG1 3.06Å; L71-Y211 HydrophobicContact CB-CD1 3.83Å; L71-Y211 HydrophobicContact CB-CE1 3.91Å; L71-Y211 HydrophobicContact CD1-CE1 3.97Å; L71-P212 WeakPolarHBondContact O-CD 3.28Å
72K96.4Very high93.9Very high54 Ų5467.6 Ų67.624%0.23535%0.354CS..  trans-153167.6-173.662.1175.2-179145.90112.5D74 T89 P212K72-D74 WeakPolarHBondContact CD-OD1 3.39Å; K72-D74 WeakPolarHBondContact CE-OD2 3.48Å; K72-D74 IonicContact NZ-OD1 3.06Å; K72-D74 IonicContact NZ-OD2 3.77Å; K72-D74 PolarHBondContact NZ-OD2 3.33Å; K72-T89 HydrophobicContact CG-CG2 4.17Å; K72-T89 PolarHBondContact N-OG1 3.12Å; K72-T89 PolarHBondContact O-N 3.12Å; K72-T89 PolarHBondContact O-OG1 3.32Å; K72-P212 HydrophobicContact CB-CB 4.48Å
73I97.9Very high94.1Very high0 Ų063.5 Ų63.50%033%0.327CS..EExtended strand (participates in β ladder)trans-125.1123.3176.5-53.7174.8000108I44 A47 L51 L86 V87 I209 P212 I213 T214I44-I73 HydrophobicContact CG2-CD1 3.99Å; A47-I73 HydrophobicContact CB-CD1 3.7Å; A47-I73 HydrophobicContact CB-CG1 3.96Å; A47-I73 HydrophobicContact CB-CG2 4.26Å; L51-I73 HydrophobicContact CD1-CD1 4.05Å; L51-I73 HydrophobicContact CD1-CG1 3.58Å; I73-L86 HydrophobicContact CG2-CD1 3.54Å; I73-L86 HydrophobicContact CG2-CG 4.22Å; I73-V87 CarbonylContact C-O 3.54Å; I73-V87 WeakPolarHBondContact CA-O 3.45Å; I73-I209 HydrophobicContact CD1-CG2 4.42Å; I73-P212 PolarHBondContact N-O 3.34Å; I73-I213 HydrophobicContact CB-CG1 4.34Å; I73-I213 HydrophobicContact CD1-CG1 4.42Å; I73-I213 CarbonylContact O-C 3.55Å; I73-I213 VanDerWaalsContact O-CA 3.27Å; I73-I213 WeakPolarHBondContact O-CA 3.1Å; I73-T214 PolarHBondContact O-N 3.13Å
74D97.4Very high94.3Very high13 Ų1360.7 Ų60.77%0.0731%0.307CS..EExtended strand (participates in β ladder)trans-115.2129-177.2-69.3-3.8000109.7K72 L86 V87 T214 Y216K72-D74 WeakPolarHBondContact CD-OD1 3.39Å; K72-D74 WeakPolarHBondContact CE-OD2 3.48Å; K72-D74 IonicContact NZ-OD1 3.06Å; K72-D74 IonicContact NZ-OD2 3.77Å; K72-D74 PolarHBondContact NZ-OD2 3.33Å; D74-L86 WeakPolarHBondContact O-CA 3.46Å; D74-V87 HydrophobicContact CB-CB 4.23Å; D74-V87 PolarHBondContact N-O 3.43Å; D74-V87 PolarHBondContact O-N 3.47Å; D74-T214 VanDerWaalsContact CG-OG1 3.24Å; D74-T214 PolarHBondContact OD1-OG1 3.19Å; D74-Y216 HydrophobicContact CB-CD2 4.27Å; D74-Y216 HydrophobicContact CB-CE2 3.56Å; D74-Y216 VanDerWaalsContact CG-CE2 3.49Å; D74-Y216 WeakPolarHBondContact OD2-CE2 3.45Å; D74-Y216 PolarHBondContact OD2-OH 2.93Å
75I97.7Very high94.6Very high1 Ų159 Ų591%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-108121.1177.3-55.5174.5000108.3I44 L84 L86 V198 V202 I213 T214 L215 Y216I44-I75 HydrophobicContact CD1-CD1 4.22Å; I75-L84 HydrophobicContact CG2-CD1 3.78Å; I75-L86 HydrophobicContact CG1-CD1 3.67Å; I75-V198 HydrophobicContact CD1-CG1 4.23Å; I75-V198 HydrophobicContact CG2-CG1 4.18Å; I75-V202 HydrophobicContact CD1-CG2 3.82Å; I75-I213 HydrophobicContact CD1-CG2 3.82Å; I75-I213 HydrophobicContact CG1-CG2 4.32Å; I75-T214 PolarHBondContact N-O 2.83Å; I75-L215 HydrophobicContact CB-CD1 3.93Å; I75-L215 HydrophobicContact CG2-CD1 3.79Å; I75-Y216 PolarHBondContact O-N 3.46Å
76V96.8Very high94.8Very high47 Ų4757.8 Ų57.829%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-126.495-175.7-169.70000109.7T85 Y216V76-T85 PolarHBondContact N-O 3.35Å; V76-T85 PolarHBondContact O-N 2.79Å; V76-Y216 HydrophobicContact CG2-CD1 4.4Å; V76-Y216 HydrophobicContact CG2-CD2 3.86Å; V76-Y216 HydrophobicContact CG2-CE2 4.43Å; V76-Y216 HydrophobicContact CG2-CG 3.87Å
77P95.8Very high95.1Very high20 Ų2053.8 Ų53.813%0.1328%0.275CS..EExtended strand (participates in β ladder)trans-70.2136.5169.8-13.929.7000110.6L84 L193 L215 Y216P77-L84 HydrophobicContact CB-CD1 3.97Å; P77-L84 HydrophobicContact CG-CD1 3.87Å; P77-L193 HydrophobicContact CB-CD2 4.18Å; P77-L215 HydrophobicContact CG-CD1 3.89Å; P77-Y216 WeakPolarHBondContact CD-O 3.45Å
78N94.6Very high95.6Very high46 Ų4652.1 Ų52.125%0.24626%0.263CS..EExtended strand (participates in β ladder)trans-12693.1171.7176.5-2000109.4R80 D81 R82 T83N78-R80 VanDerWaalsContact C-N 3.26Å; N78-R80 PolarHBondContact O-N 3.07Å; N78-R80 WeakPolarHBondContact OD1-CB 3.37Å; N78-R80 PolarHBondContact OD1-N 3.19Å; N78-R80 VanDerWaalsContact OD1-N 3.11Å; N78-D81 PolarHBondContact ND2-OD2 2.98Å; N78-D81 PolarHBondContact OD1-N 3.11Å; N78-R82 PolarHBondContact O-N 3.39Å; N78-R82 VanDerWaalsContact O-N 3.15Å; N78-T83 WeakPolarHBondContact CA-O 3.31Å; N78-T83 WeakPolarHBondContact CB-OG1 3.31Å; N78-T83 PolarHBondContact N-O 2.86Å; N78-T83 PolarHBondContact O-N 3.12Å
79P92.4Very high95.9Very high86 Ų8652.1 Ų52.156%0.55826%0.257SS*.THydrogen-bonded Turntrans-61.4-28.3178.7-25.935.9000114.9R82P79-R82 PolarHBondContact O-N 3.33Å
80R91.1Very high96.1Very high175 Ų17544.7 Ų44.766%0.6623%0.225SC*.THydrogen-bonded Turntrans-66.2-44.7-176.4-59.6-176.8-167.8173.611.7111.3N78 E218N78-R80 VanDerWaalsContact C-N 3.26Å; N78-R80 PolarHBondContact O-N 3.07Å; N78-R80 WeakPolarHBondContact OD1-CB 3.37Å; N78-R80 PolarHBondContact OD1-N 3.19Å; N78-R80 VanDerWaalsContact OD1-N 3.11Å; R80-E218 IonicContact NH2-OE1 2.66Å; R80-E218 IonicContact NH2-OE2 3.15Å; R80-E218 PolarHBondContact NH2-OE2 2.83Å
81D93.6Very high96.3Very high108 Ų10840.3 Ų40.358%0.57820%0.201SC*.THydrogen-bonded Turntrans-95.31.6-179.4-59.3-38.6000113N78 T83N78-D81 PolarHBondContact ND2-OD2 2.98Å; N78-D81 PolarHBondContact OD1-N 3.11Å; D81-T83 HydrophobicContact CB-CG2 4.07Å; D81-T83 PolarHBondContact O-N 3.42Å
82R96.3Very high96.3Very high121 Ų12138.9 Ų38.946%0.45720%0.195SC..THydrogen-bonded Turntrans51.543.8-170.5-56.8-173.3-63-102.36.8112.3N78 P79 L185N78-R82 PolarHBondContact O-N 3.39Å; N78-R82 VanDerWaalsContact O-N 3.15Å; P79-R82 PolarHBondContact O-N 3.33Å; R82-L185 PolarHBondContact O-N 3.27Å
83T97.4Very high96.3Very high7 Ų738.2 Ų38.24%0.04319%0.193CC..EExtended strand (participates in β ladder)trans-116.4147.7179.159.90000112N78 D81 I182 L183 Y184 L193N78-T83 WeakPolarHBondContact CA-O 3.31Å; N78-T83 WeakPolarHBondContact CB-OG1 3.31Å; N78-T83 PolarHBondContact N-O 2.86Å; N78-T83 PolarHBondContact O-N 3.12Å; D81-T83 HydrophobicContact CB-CG2 4.07Å; D81-T83 PolarHBondContact O-N 3.42Å; T83-I182 HydrophobicContact CG2-CG2 4.27Å; T83-L183 CarbonylContact C-O 3.5Å; T83-L183 WeakPolarHBondContact CA-O 3.23Å; T83-L183 WeakPolarHBondContact CB-O 3.32Å; T83-Y184 HydrophobicContact CG2-CD1 3.59Å; T83-Y184 HydrophobicContact CG2-CE1 3.74Å; T83-Y184 HydrophobicContact CG2-CG 4.02Å; T83-L193 VanDerWaalsContact O-CD2 3.24Å; T83-L193 WeakPolarHBondContact O-CD2 3.25Å
84L97.8Very high96.3Very high2 Ų239.4 Ų39.41%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-119.3122.7168.8-17862.1000108.3F39 L40 I75 P77 L183 L185 L193F39-L84 HydrophobicContact CE2-CD2 4Å; F39-L84 HydrophobicContact CZ-CD2 4.06Å; L40-L84 HydrophobicContact CD2-CD2 4.06Å; I75-L84 HydrophobicContact CG2-CD1 3.78Å; P77-L84 HydrophobicContact CB-CD1 3.97Å; P77-L84 HydrophobicContact CG-CD1 3.87Å; L84-L183 HydrophobicContact CB-CB 4.36Å; L84-L183 HydrophobicContact CB-CD1 4.46Å; L84-L183 HydrophobicContact CD2-CD1 4.44Å; L84-L183 PolarHBondContact N-O 3.39Å; L84-L183 WeakPolarHBondContact O-CB 2.92Å; L84-L183 PolarHBondContact O-N 2.89Å; L84-L185 HydrophobicContact CB-CD1 4.27Å; L84-L185 HydrophobicContact CB-CG 4.48Å; L84-L193 HydrophobicContact CB-CD2 4.29Å
85T97.9Very high96.2Very high14 Ų1443.2 Ų43.29%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-107.6127-178.9-59.90000109.9V76 V87 K180 V181 I182V76-T85 PolarHBondContact N-O 3.35Å; V76-T85 PolarHBondContact O-N 2.79Å; T85-V87 HydrophobicContact CG2-CG2 3.86Å; T85-K180 HydrophobicContact CG2-CD 4.09Å; T85-K180 HydrophobicContact CG2-CG 3.53Å; T85-V181 CarbonylContact C-O 3.51Å; T85-V181 WeakPolarHBondContact CA-O 3.41Å; T85-I182 HydrophobicContact CG2-CG1 4.38Å
86L98.1Very high96Very high6 Ų645.6 Ų45.63%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-106.2127167.5-172.974.8000108.7L43 I44 A47 I73 D74 I75 K180 V181L43-L86 HydrophobicContact CB-CD2 3.58Å; I44-L86 HydrophobicContact CG1-CD1 4.38Å; A47-L86 HydrophobicContact CB-CD2 4.46Å; I73-L86 HydrophobicContact CG2-CD1 3.54Å; I73-L86 HydrophobicContact CG2-CG 4.22Å; D74-L86 WeakPolarHBondContact O-CA 3.46Å; I75-L86 HydrophobicContact CG1-CD1 3.67Å; L86-K180 CarbonylContact O-C 3.5Å; L86-K180 WeakPolarHBondContact O-CA 3.49Å; L86-V181 HydrophobicContact CB-CB 4.38Å; L86-V181 PolarHBondContact N-O 2.98Å; L86-V181 PolarHBondContact O-N 2.89Å
87V97.9Very high95.9Very high41 Ų4145.7 Ų45.725%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-116.7123.3176.7-173.20000108.7I73 D74 T85 T179 K180I73-V87 CarbonylContact C-O 3.54Å; I73-V87 WeakPolarHBondContact CA-O 3.45Å; D74-V87 HydrophobicContact CB-CB 4.23Å; D74-V87 PolarHBondContact N-O 3.43Å; D74-V87 PolarHBondContact O-N 3.47Å; T85-V87 HydrophobicContact CG2-CG2 3.86Å; V87-T179 WeakPolarHBondContact CA-O 3.39Å; V87-K180 HydrophobicContact CG2-CG 4.17Å
88D97.6Very high95.7Very high11 Ų1144.8 Ų44.86%0.05923%0.229CC..EExtended strand (participates in β ladder)trans-113.4141.5169.675.685.8000110.7A47 G90 G178 T179A47-D88 HydrophobicContact CB-CB 3.57Å; D88-G90 PolarHBondContact O-N 2.74Å; D88-G90 WeakPolarHBondContact OD1-CA 3.37Å; D88-G90 PolarHBondContact OD1-N 2.9Å; D88-G178 WeakPolarHBondContact O-CA 3.47Å; D88-T179 PolarHBondContact N-O 2.94Å; D88-T179 PolarHBondContact O-N 3.22Å; D88-T179 VanDerWaalsContact OD2-CB 3.3Å; D88-T179 WeakPolarHBondContact OD2-CB 3.41Å
89T97.1Very high95.6Very high28 Ų2845.9 Ų45.917%0.17224%0.235CC..  trans-94.226.6175.3620000112.4D70 L71 K72 R177D70-T89 VanDerWaalsContact O-CB 3.28Å; D70-T89 WeakPolarHBondContact O-CB 3.33Å; D70-T89 PolarHBondContact O-OG1 3.07Å; L71-T89 WeakPolarHBondContact CA-OG1 3.06Å; K72-T89 HydrophobicContact CG-CG2 4.17Å; K72-T89 PolarHBondContact N-OG1 3.12Å; K72-T89 PolarHBondContact O-N 3.12Å; K72-T89 PolarHBondContact O-OG1 3.32Å; T89-R177 PolarHBondContact O-NE 3.42Å; T89-R177 PolarHBondContact O-NH2 2.92Å
90G96.1Very high95.5Very high0 Ų045.4 Ų45.40%023%0.227CC..SBendtrans-68.7-162.7-178.800000113.4A50 D88 G92 R177 G178A50-G90 WeakPolarHBondContact O-CA 3.38Å; D88-G90 PolarHBondContact O-N 2.74Å; D88-G90 WeakPolarHBondContact OD1-CA 3.37Å; D88-G90 PolarHBondContact OD1-N 2.9Å; G90-G92 VanDerWaalsContact C-N 3.3Å; G90-G92 PolarHBondContact O-N 3.41Å; G90-R177 WeakPolarHBondContact O-CD 3.27Å; G90-R177 VanDerWaalsContact O-CG 3.29Å; G90-R177 WeakPolarHBondContact O-CG 3.45Å; G90-R177 PolarHBondContact O-NE 3.44Å; G90-G178 WeakPolarHBondContact O-CA 3.3Å; G90-G178 PolarHBondContact O-N 2.96Å
91I95.9Very high95.5Very high28 Ų2838.7 Ų38.714%0.14421%0.205CC..  trans-68.2-26-176.5-164.2168000113.9A50 K53 I54 E57 H149A50-I91 PolarHBondContact O-N 3.37Å; A50-I91 VanDerWaalsContact O-N 3.09Å; K53-I91 HydrophobicContact CB-CB 4.21Å; K53-I91 HydrophobicContact CB-CD1 4.18Å; K53-I91 HydrophobicContact CB-CG2 3.9Å; K53-I91 HydrophobicContact CD-CG2 4.08Å; I54-I91 HydrophobicContact CB-CB 4.04Å; I54-I91 HydrophobicContact CD1-CG1 4.33Å; E57-I91 HydrophobicContact CG-CD1 4.11Å; I91-H149 PolarHBondContact O-CD2 3.33Å
92G96.3Very high95.2Very high8 Ų834.5 Ų34.58%0.08218%0.182CC..  trans77.6-174.4-172.600000113.2G90 T147G90-G92 VanDerWaalsContact C-N 3.3Å; G90-G92 PolarHBondContact O-N 3.41Å; G92-T147 WeakPolarHBondContact CA-OG1 3.37Å
93M97Very high94.7Very high40 Ų4029.8 Ų29.820%0.19717%0.171CC..  trans-132.7141.3-179.9-73.9178-72.200110.7D97 L98 L102 V145 T147 T179M93-D97 HydrophobicContact CB-CB 3.83Å; M93-D97 HydrophobicContact CG-CB 4.07Å; M93-L98 HydrophobicContact CB-CD2 4.36Å; M93-L98 HydrophobicContact CB-CG 4.35Å; M93-L98 HydrophobicContact CE-CD2 3.79Å; M93-L98 HydrophobicContact SD-CD2 4.21Å; M93-L102 HydrophobicContact CE-CD2 4.5Å; M93-V145 HydrophobicContact CE-CG1 4.04Å; M93-T147 HydrophobicContact CB-CG2 3.96Å; M93-T147 PolarHBondContact N-OG1 2.68Å; M93-T147 WeakPolarHBondContact O-CG2 3.19Å; M93-T179 HydrophobicContact CE-CG2 4.31Å
94T96.9Very high94.1Very high26 Ų2632 Ų3216%0.1619%0.185CC..  trans-75168.9169.466.80000110.6A96 D97 L98 H149 D152T94-A96 PolarHBondContact O-N 2.96Å; T94-A96 PolarHBondContact OG1-N 3.48Å; T94-D97 WeakPolarHBondContact CB-OD2 3.32Å; T94-D97 PolarHBondContact N-OD2 3.29Å; T94-D97 PolarHBondContact O-N 3.3Å; T94-D97 VanDerWaalsContact O-N 3.08Å; T94-D97 VanDerWaalsContact OG1-CG 3.27Å; T94-D97 PolarHBondContact OG1-N 3.12Å; T94-D97 VanDerWaalsContact OG1-N 3.17Å; T94-D97 PolarHBondContact OG1-OD2 3.18Å; T94-L98 PolarHBondContact O-N 3.33Å; T94-H149 HydrophobicContact CG2-CB 4Å; T94-D152 WeakPolarHBondContact CB-OD2 3.44Å; T94-D152 HydrophobicContact CG2-CB 4.03Å
95K95.8Very high93.5Very high93 Ų9333.6 Ų33.640%0.40419%0.193SC..Hα-helixtrans-56-37.6172.1-174178-176.4173.10112I99 D152 Y155 V167K95-I99 HydrophobicContact CG-CD1 4.34Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.33Å; K95-D152 PolarHBondContact N-OD2 3.48Å; K95-Y155 HydrophobicContact CB-CD1 4.45Å; K95-Y155 HydrophobicContact CB-CD2 4.08Å; K95-Y155 HydrophobicContact CB-CE1 4.16Å; K95-Y155 HydrophobicContact CB-CE2 3.77Å; K95-Y155 HydrophobicContact CB-CG 4.41Å; K95-Y155 HydrophobicContact CD-CD1 4.33Å; K95-Y155 HydrophobicContact CD-CE1 3.77Å; K95-Y155 HydrophobicContact CG-CD1 4.4Å; K95-Y155 HydrophobicContact CG-CE1 4.22Å; K95-V167 HydrophobicContact CG-CG1 4.25Å
96A94.4Very high92.8Very high50 Ų5036.5 Ų36.541%0.41322%0.218SC..Hα-helixtrans-66.3-40.6177.400000111.5T94 I99 N100T94-A96 PolarHBondContact O-N 2.96Å; T94-A96 PolarHBondContact OG1-N 3.48Å; A96-I99 PolarHBondContact O-N 2.73Å; A96-N100 WeakPolarHBondContact O-CB 3.35Å; A96-N100 VanDerWaalsContact O-CG 3.26Å; A96-N100 PolarHBondContact O-N 3.24Å; A96-N100 PolarHBondContact O-ND2 3.46Å; A96-N100 VanDerWaalsContact O-ND2 3.13Å
97D93.8Very high92.2Very high50 Ų5040.6 Ų40.627%0.26724%0.236SC..Hα-helixtrans-66.4-39177.7-65.3-52000112.5M93 T94 I99 N100 N101 L102M93-D97 HydrophobicContact CB-CB 3.83Å; M93-D97 HydrophobicContact CG-CB 4.07Å; T94-D97 WeakPolarHBondContact CB-OD2 3.32Å; T94-D97 PolarHBondContact N-OD2 3.29Å; T94-D97 PolarHBondContact O-N 3.3Å; T94-D97 VanDerWaalsContact O-N 3.08Å; T94-D97 VanDerWaalsContact OG1-CG 3.27Å; T94-D97 PolarHBondContact OG1-N 3.12Å; T94-D97 VanDerWaalsContact OG1-N 3.17Å; T94-D97 PolarHBondContact OG1-OD2 3.18Å; D97-I99 VanDerWaalsContact C-N 3.27Å; D97-I99 PolarHBondContact O-N 3.39Å; D97-N100 PolarHBondContact O-N 2.89Å; D97-N101 WeakPolarHBondContact O-CA 3.36Å; D97-N101 VanDerWaalsContact O-CB 3.25Å; D97-N101 WeakPolarHBondContact O-CB 3.08Å; D97-N101 PolarHBondContact O-N 3.37Å; D97-N101 PolarHBondContact OD1-ND2 2.82Å; D97-L102 PolarHBondContact O-N 3.37Å
98L92.5Very high91.6Very high0 Ų039.7 Ų39.70%023%0.231CC..Iπ-helixtrans-57.3-42.1174.2-74.3175.4000111.7M93 T94 L102 G103 T147 W157 V167M93-L98 HydrophobicContact CB-CD2 4.36Å; M93-L98 HydrophobicContact CB-CG 4.35Å; M93-L98 HydrophobicContact CE-CD2 3.79Å; M93-L98 HydrophobicContact SD-CD2 4.21Å; T94-L98 PolarHBondContact O-N 3.33Å; L98-L102 HydrophobicContact CD2-CD2 3.89Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-G103 PolarHBondContact O-N 3.17Å; L98-T147 HydrophobicContact CD1-CG2 3.77Å; L98-T147 HydrophobicContact CD2-CG2 3.86Å; L98-T147 HydrophobicContact CG-CG2 3.96Å; L98-W157 HydrophobicContact CD1-CB 4.28Å; L98-W157 HydrophobicContact CD2-CB 3.96Å; L98-W157 HydrophobicContact CD2-CG 4.43Å; L98-V167 HydrophobicContact CD1-CG1 4.14Å
99I91.7Very high90.8Very high70 Ų7040.1 Ų40.136%0.35924%0.238SC..Iπ-helixtrans-76-48-179.7-62.9166.4000110.5K95 A96 D97 F165 V167K95-I99 HydrophobicContact CG-CD1 4.34Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.33Å; A96-I99 PolarHBondContact O-N 2.73Å; D97-I99 VanDerWaalsContact C-N 3.27Å; D97-I99 PolarHBondContact O-N 3.39Å; I99-F165 HydrophobicContact CG1-CE2 4.4Å; I99-F165 HydrophobicContact CG2-CZ 4.49Å; I99-V167 HydrophobicContact CG1-CG2 4.33Å
100N90.5Very high90.2Very high75 Ų7539.3 Ų39.340%0.40123%0.233SC..Iπ-helixtrans-86.1-25.2-167.3-69.9-35.7000114.3A96 D97 T104 K107A96-N100 WeakPolarHBondContact O-CB 3.35Å; A96-N100 VanDerWaalsContact O-CG 3.26Å; A96-N100 PolarHBondContact O-N 3.24Å; A96-N100 PolarHBondContact O-ND2 3.46Å; A96-N100 VanDerWaalsContact O-ND2 3.13Å; D97-N100 PolarHBondContact O-N 2.89Å; N100-T104 WeakPolarHBondContact O-CB 3.48Å; N100-T104 PolarHBondContact O-OG1 3.37Å; N100-K107 WeakPolarHBondContact O-CD 3.09Å; N100-K107 WeakPolarHBondContact O-CE 3.47Å; N100-K107 PolarHBondContact O-NZ 2.98Å
101N90.4Very high89.6Confident35 Ų3544.8 Ų44.819%0.18726%0.257CS..Iπ-helixtrans-108.9-59.6-179.2-56.1-32.7000109.9D97 G103 T104D97-N101 WeakPolarHBondContact O-CA 3.36Å; D97-N101 VanDerWaalsContact O-CB 3.25Å; D97-N101 WeakPolarHBondContact O-CB 3.08Å; D97-N101 PolarHBondContact O-N 3.37Å; D97-N101 PolarHBondContact OD1-ND2 2.82Å; N101-G103 PolarHBondContact O-N 3.48Å; N101-T104 PolarHBondContact O-N 3.15Å
102L88.6Confident89Confident19 Ų1946.1 Ų46.110%0.09927%0.272CS..Iπ-helixtrans-69.7-34.7-176.4-165.570.3000112.8M93 D97 L98 T104 F133 Y134 V145 W157M93-L102 HydrophobicContact CE-CD2 4.5Å; D97-L102 PolarHBondContact O-N 3.37Å; L98-L102 HydrophobicContact CD2-CD2 3.89Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L102-T104 VanDerWaalsContact C-N 3.33Å; L102-F133 HydrophobicContact CD1-CB 4.25Å; L102-F133 HydrophobicContact CD1-CD1 3.4Å; L102-F133 HydrophobicContact CD1-CD2 3.72Å; L102-F133 HydrophobicContact CD1-CE1 3.53Å; L102-F133 HydrophobicContact CD1-CE2 3.85Å; L102-F133 HydrophobicContact CD1-CG 3.49Å; L102-F133 VanDerWaalsContact CD1-CG 3.49Å; L102-F133 HydrophobicContact CD1-CZ 3.75Å; L102-F133 HydrophobicContact CD2-CE1 4.28Å; L102-F133 HydrophobicContact CD2-CZ 4.13Å; L102-F133 HydrophobicContact CG-CD1 4.12Å; L102-F133 HydrophobicContact CG-CE1 3.86Å; L102-F133 HydrophobicContact CG-CZ 4.16Å; L102-Y134 PolarHBondContact O-OH 2.83Å; L102-V145 HydrophobicContact CD2-CB 4.12Å; L102-V145 HydrophobicContact CD2-CG1 4.15Å; L102-V145 HydrophobicContact CD2-CG2 4.01Å; L102-W157 HydrophobicContact CD2-CB 4.49Å; L102-W157 HydrophobicContact CD2-CD2 3.74Å; L102-W157 HydrophobicContact CD2-CE3 4.09Å; L102-W157 HydrophobicContact CD2-CG 3.93Å; L102-W157 HydrophobicContact CD2-CZ2 4.5Å
103G84.4Confident88.3Confident22 Ų2247.2 Ų47.223%0.22728%0.275CS..THydrogen-bonded Turntrans-80.2-5.4177.600000115.4L98 N101L98-G103 PolarHBondContact O-N 3.17Å; N101-G103 PolarHBondContact O-N 3.48Å
104T85.4Confident87.5Confident55 Ų5548.2 Ų48.234%0.33728%0.28SS..SBendtrans-118.5117.4-173.6-57.60000111.3N100 N101 L102 K107N100-T104 WeakPolarHBondContact O-CB 3.48Å; N100-T104 PolarHBondContact O-OG1 3.37Å; N101-T104 PolarHBondContact O-N 3.15Å; L102-T104 VanDerWaalsContact C-N 3.33Å; T104-K107 HydrophobicContact CG2-CB 3.78Å; T104-K107 HydrophobicContact CG2-CD 4.09Å; T104-K107 PolarHBondContact O-N 3.07Å
105I85.4Confident86.7Confident35 Ų3552.4 Ų52.418%0.17930%0.297CS..THydrogen-bonded Turntrans-64.6140.4176.4-60.1170.4000110.2I21 L24 M25 I28 K107 V131 Y134I21-I105 HydrophobicContact CG2-CD1 4.01Å; L24-I105 HydrophobicContact CB-CD1 4.49Å; L24-I105 HydrophobicContact CD2-CB 4.38Å; L24-I105 HydrophobicContact CD2-CD1 3.94Å; L24-I105 HydrophobicContact CD2-CG2 3.82Å; L24-I105 HydrophobicContact CG-CD1 4.15Å; L24-I105 HydrophobicContact CG-CG2 4.38Å; M25-I105 HydrophobicContact CE-CD1 3.45Å; M25-I105 VanDerWaalsContact CE-CD1 3.45Å; M25-I105 HydrophobicContact CE-CG1 3.73Å; I28-I105 HydrophobicContact CD1-CD1 4.4Å; I28-I105 HydrophobicContact CD1-CG2 3.64Å; I105-K107 PolarHBondContact O-N 2.86Å; I105-V131 HydrophobicContact CG2-CG1 4.22Å; I105-Y134 HydrophobicContact CB-CE2 4.44Å; I105-Y134 HydrophobicContact CG1-CE2 3.86Å
106A83.9Confident85.9Confident74 Ų7452 Ų5261%0.61231%0.311SS*.THydrogen-bonded Turntrans64.322.717900000114.5F129 G130A106-F129 WeakPolarHBondContact CA-O 3.12Å; A106-G130 PolarHBondContact N-O 3.42Å
107K85.6Confident84.9Confident93 Ų9350.3 Ų50.340%0.40430%0.295SS..  trans-116.6127.6171-172.3157.8164.3-161.70110.2N100 T104 I105 G130N100-K107 WeakPolarHBondContact O-CD 3.09Å; N100-K107 WeakPolarHBondContact O-CE 3.47Å; N100-K107 PolarHBondContact O-NZ 2.98Å; T104-K107 HydrophobicContact CG2-CB 3.78Å; T104-K107 HydrophobicContact CG2-CD 4.09Å; T104-K107 PolarHBondContact O-N 3.07Å; I105-K107 PolarHBondContact O-N 2.86Å; K107-G130 WeakPolarHBondContact O-CA 3.23Å
108S84.8Confident83.6Confident22 Ų2256.3 Ų56.315%0.15432%0.322CS..  trans-123.9120179.9176.70000110.6T110 K111 A112 G127S108-T110 PolarHBondContact O-N 2.76Å; S108-T110 WeakPolarHBondContact OG-CB 3.07Å; S108-T110 PolarHBondContact OG-N 2.74Å; S108-K111 WeakPolarHBondContact O-CB 3.3Å; S108-K111 PolarHBondContact O-N 3.17Å; S108-K111 PolarHBondContact OG-N 3.48Å; S108-A112 PolarHBondContact O-N 3.1Å; S108-G127 PolarHBondContact OG-O 2.88Å
109G80.3Confident81.8Confident20 Ų2060.3 Ų60.321%0.20636%0.355CS..Hα-helixtrans-65.1-23.817100000112.6A112 F113G109-A112 PolarHBondContact O-N 3.44Å; G109-F113 WeakPolarHBondContact O-CB 3.18Å; G109-F113 PolarHBondContact O-N 3.17Å
110T83.8Confident80Confident11 Ų1161 Ų617%0.06738%0.379CS..Hα-helixtrans-67.6-39.3173.5-57.80000111.1D49 K53 S108 F113 M114 M125 G127D49-T110 HydrophobicContact CB-CG2 4.4Å; D49-T110 WeakPolarHBondContact OD2-CG2 3.5Å; K53-T110 PolarHBondContact NZ-OG1 3.37Å; S108-T110 PolarHBondContact O-N 2.76Å; S108-T110 WeakPolarHBondContact OG-CB 3.07Å; S108-T110 PolarHBondContact OG-N 2.74Å; T110-F113 PolarHBondContact O-N 2.7Å; T110-M114 VanDerWaalsContact O-CG 3.3Å; T110-M114 WeakPolarHBondContact O-CG 3.47Å; T110-M114 PolarHBondContact O-N 3.17Å; T110-M125 HydrophobicContact CG2-CB 3.34Å; T110-M125 HydrophobicContact CG2-CG 3.94Å; T110-M125 HydrophobicContact CG2-SD 3.44Å; T110-M125 WeakPolarHBondContact CG2-SD 3.36Å; T110-G127 WeakPolarHBondContact CB-O 3.17Å
111K83.8Confident78.4Confident114 Ų11459 Ų5950%0.49637%0.373SS..Hα-helixtrans-63.2-46.8174-174.5-177176.6-170.80111.5S108 F113 M114 E115S108-K111 WeakPolarHBondContact O-CB 3.3Å; S108-K111 PolarHBondContact O-N 3.17Å; S108-K111 PolarHBondContact OG-N 3.48Å; K111-F113 VanDerWaalsContact C-N 3.28Å; K111-F113 PolarHBondContact O-N 3.16Å; K111-M114 PolarHBondContact O-N 3.46Å; K111-E115 VanDerWaalsContact CE-OE1 3.24Å; K111-E115 WeakPolarHBondContact CE-OE1 3.42Å; K111-E115 WeakPolarHBondContact O-CG 3.48Å; K111-E115 PolarHBondContact O-N 3.34Å
112A83.5Confident77Confident56 Ų5665.2 Ų65.246%0.46341%0.406SS..Hα-helixtrans-60.6-39.2177.300000112S108 G109 E115 A116S108-A112 PolarHBondContact O-N 3.1Å; G109-A112 PolarHBondContact O-N 3.44Å; A112-E115 PolarHBondContact O-N 3.17Å; A112-A116 PolarHBondContact O-N 2.99Å; A112-A116 VanDerWaalsContact O-N 3.08Å
113F82.8Confident75.9Confident32 Ų3265.3 Ų65.314%0.1441%0.407CS..Hα-helixtrans-64.6-45.2174.8-166-99.3000111.8K53 Y56 G109 T110 K111 E115 A116 L117 M125K53-F113 HydrophobicContact CB-CE1 4.46Å; K53-F113 HydrophobicContact CB-CZ 4.25Å; K53-F113 HydrophobicContact CD-CG 4.48Å; K53-F113 HydrophobicContact CG-CD1 3.97Å; K53-F113 HydrophobicContact CG-CD2 4.29Å; K53-F113 HydrophobicContact CG-CE1 3.89Å; K53-F113 HydrophobicContact CG-CE2 4.28Å; K53-F113 HydrophobicContact CG-CG 4.12Å; K53-F113 HydrophobicContact CG-CZ 4.05Å; Y56-F113 HydrophobicContact CD1-CE1 4.27Å; Y56-F113 AromaticContact CD1-CZ 3.73Å; Y56-F113 HydrophobicContact CD1-CZ 3.73Å; Y56-F113 HydrophobicContact CE1-CZ 4.5Å; Y56-F113 HydrophobicContact CG-CZ 4.37Å; G109-F113 WeakPolarHBondContact O-CB 3.18Å; G109-F113 PolarHBondContact O-N 3.17Å; T110-F113 PolarHBondContact O-N 2.7Å; K111-F113 VanDerWaalsContact C-N 3.28Å; K111-F113 PolarHBondContact O-N 3.16Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-E115 PolarHBondContact O-N 3.46Å; F113-A116 WeakPolarHBondContact O-CB 3.01Å; F113-A116 PolarHBondContact O-N 3.42Å; F113-L117 HydrophobicContact CD1-CD1 3.42Å; F113-L117 VanDerWaalsContact CD1-CD1 3.42Å; F113-L117 HydrophobicContact CD1-CD2 4.46Å; F113-L117 HydrophobicContact CD1-CG 3.82Å; F113-L117 HydrophobicContact CE1-CD1 3.41Å; F113-L117 VanDerWaalsContact CE1-CD1 3.41Å; F113-L117 HydrophobicContact CE1-CD2 3.96Å; F113-L117 HydrophobicContact CE1-CG 3.8Å; F113-L117 HydrophobicContact CZ-CD1 4.47Å; F113-L117 HydrophobicContact CZ-CD2 4.28Å; F113-L117 HydrophobicContact CZ-CG 4.49Å; F113-L117 VanDerWaalsContact O-CG 3.27Å; F113-L117 WeakPolarHBondContact O-CG 2.88Å; F113-L117 PolarHBondContact O-N 2.82Å; F113-M125 HydrophobicContact CD1-CE 3.14Å; F113-M125 HydrophobicContact CD1-SD 3.84Å; F113-M125 HydrophobicContact CE1-CE 3.25Å; F113-M125 HydrophobicContact CE1-SD 4.5Å; F113-M125 HydrophobicContact CG-CE 4.26Å; F113-M125 HydrophobicContact CZ-CE 4.45Å
114M79.1Confident75.1Confident60 Ų6065.1 Ų65.130%0.29640%0.402SS..Hα-helixtrans-60.3-36.5175.3-70.8-63.7-60.500112.9T110 K111 A116 L117 M125T110-M114 VanDerWaalsContact O-CG 3.3Å; T110-M114 WeakPolarHBondContact O-CG 3.47Å; T110-M114 PolarHBondContact O-N 3.17Å; K111-M114 PolarHBondContact O-N 3.46Å; M114-A116 VanDerWaalsContact C-N 3.35Å; M114-L117 PolarHBondContact O-N 3.37Å; M114-L117 HydrophobicContact SD-CD1 4.13Å; M114-M125 HydrophobicContact CG-CB 4.33Å; M114-M125 HydrophobicContact CG-SD 4.42Å; M114-M125 HydrophobicContact SD-CB 4.05Å; M114-M125 HydrophobicContact SD-CG 3.94Å; M114-M125 HydrophobicContact SD-SD 4.27Å
115E81.2Confident74.8Confident114 Ų11462.6 Ų62.653%0.53339%0.386SS..Hα-helixtrans-66.6-35.3173.7-72.4172.1-174.900112.1K111 A112 F113 L117 Q118K111-E115 VanDerWaalsContact CE-OE1 3.24Å; K111-E115 WeakPolarHBondContact CE-OE1 3.42Å; K111-E115 WeakPolarHBondContact O-CG 3.48Å; K111-E115 PolarHBondContact O-N 3.34Å; A112-E115 PolarHBondContact O-N 3.17Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-E115 PolarHBondContact O-N 3.46Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-Q118 WeakPolarHBondContact O-CG 3.4Å
116A79Confident74.4Confident84 Ų8461.5 Ų61.569%0.69438%0.381SS*.Hα-helixtrans-72.1-27.4174.600000113.1A112 F113 M114 Q118A112-A116 PolarHBondContact O-N 2.99Å; A112-A116 VanDerWaalsContact O-N 3.08Å; F113-A116 WeakPolarHBondContact O-CB 3.01Å; F113-A116 PolarHBondContact O-N 3.42Å; M114-A116 VanDerWaalsContact C-N 3.35Å; A116-Q118 VanDerWaalsContact C-N 3.29Å; A116-Q118 PolarHBondContact O-N 3.37Å
117L73.4Confident74Confident15 Ų1558.3 Ų58.38%0.07936%0.355CS..THydrogen-bonded Turntrans-79.89.1-177.9-74179.4000115.4Y56 F113 M114 E115 A119 A121 I123 M125Y56-L117 HydrophobicContact CD1-CD2 3.61Å; Y56-L117 HydrophobicContact CD2-CD2 4.28Å; Y56-L117 HydrophobicContact CE1-CD2 3.11Å; Y56-L117 HydrophobicContact CE2-CD2 3.83Å; Y56-L117 HydrophobicContact CG-CD2 4.12Å; Y56-L117 WeakPolarHBondContact OH-CD2 3.3Å; F113-L117 HydrophobicContact CD1-CD1 3.42Å; F113-L117 VanDerWaalsContact CD1-CD1 3.42Å; F113-L117 HydrophobicContact CD1-CD2 4.46Å; F113-L117 HydrophobicContact CD1-CG 3.82Å; F113-L117 HydrophobicContact CE1-CD1 3.41Å; F113-L117 VanDerWaalsContact CE1-CD1 3.41Å; F113-L117 HydrophobicContact CE1-CD2 3.96Å; F113-L117 HydrophobicContact CE1-CG 3.8Å; F113-L117 HydrophobicContact CZ-CD1 4.47Å; F113-L117 HydrophobicContact CZ-CD2 4.28Å; F113-L117 HydrophobicContact CZ-CG 4.49Å; F113-L117 VanDerWaalsContact O-CG 3.27Å; F113-L117 WeakPolarHBondContact O-CG 2.88Å; F113-L117 PolarHBondContact O-N 2.82Å; M114-L117 PolarHBondContact O-N 3.37Å; M114-L117 HydrophobicContact SD-CD1 4.13Å; E115-L117 VanDerWaalsContact C-N 3.34Å; L117-A119 CarbonylContact O-C 3.54Å; L117-A119 PolarHBondContact O-N 3.04Å; L117-A121 HydrophobicContact CD2-CB 4.1Å; L117-I123 HydrophobicContact CD1-CB 4.11Å; L117-I123 HydrophobicContact CD1-CD1 3.68Å; L117-I123 HydrophobicContact CD1-CG1 4.46Å; L117-I123 HydrophobicContact CD1-CG2 4.35Å; L117-I123 HydrophobicContact CD2-CD1 4.18Å; L117-M125 HydrophobicContact CD1-CE 4.42Å
118Q65.1Low73.6Confident176 Ų17658.5 Ų58.582%0.82236%0.358SS*.THydrogen-bonded Turntrans-56.4-8.6-176-77.9-164.40.900115.5E115 A116 G120E115-Q118 WeakPolarHBondContact O-CG 3.4Å; A116-Q118 VanDerWaalsContact C-N 3.29Å; A116-Q118 PolarHBondContact O-N 3.37Å; Q118-G120 PolarHBondContact O-N 3.35Å
119A56Low73.4Confident84 Ų8460.8 Ų60.869%0.69437%0.365SS*.THydrogen-bonded Turntrans-91.980.6169.900000112.6L117 A121L117-A119 CarbonylContact O-C 3.54Å; L117-A119 PolarHBondContact O-N 3.04Å; A119-A121 PolarHBondContact O-N 3.25Å; A119-A121 VanDerWaalsContact O-N 3.14Å
120G52.1Low73.6Confident85 Ų8560.7 Ų60.788%0.87636%0.364SS*.THydrogen-bonded Turntrans66.120.5152.700000118.8Q118Q118-G120 PolarHBondContact O-N 3.35Å
121A57.9Low73.7Confident33 Ų3360.6 Ų60.627%0.27336%0.363SS..  trans-88.1130.5179.200000112.7Y56 L117 A119 I123Y56-A121 HydrophobicContact CD2-CB 4.25Å; Y56-A121 HydrophobicContact CE2-CB 3.54Å; L117-A121 HydrophobicContact CD2-CB 4.1Å; A119-A121 PolarHBondContact O-N 3.25Å; A119-A121 VanDerWaalsContact O-N 3.14Å; A121-I123 HydrophobicContact CB-CD1 3.98Å; A121-I123 HydrophobicContact CB-CG1 4.13Å; A121-I123 PolarHBondContact O-N 2.96Å
122D61Low74Confident165 Ų16555.6 Ų55.688%0.88234%0.344SS*.  trans-7966172.2-171.218.1000110.5
123I66.5Low74.4Confident22 Ų2254 Ų5411%0.11333%0.326CS..  trans-122.8119.5-178.8-59.7172.4000110.3Y56 L117 A121 M125Y56-I123 VanDerWaalsContact CB-CD1 3.43Å; Y56-I123 HydrophobicContact CD1-CD1 4.27Å; Y56-I123 HydrophobicContact CD2-CD1 3.17Å; Y56-I123 HydrophobicContact CD2-CG1 4.29Å; Y56-I123 HydrophobicContact CE2-CD1 3.89Å; Y56-I123 HydrophobicContact CG-CD1 3.33Å; L117-I123 HydrophobicContact CD1-CB 4.11Å; L117-I123 HydrophobicContact CD1-CD1 3.68Å; L117-I123 HydrophobicContact CD1-CG1 4.46Å; L117-I123 HydrophobicContact CD1-CG2 4.35Å; L117-I123 HydrophobicContact CD2-CD1 4.18Å; A121-I123 HydrophobicContact CB-CD1 3.98Å; A121-I123 HydrophobicContact CB-CG1 4.13Å; A121-I123 PolarHBondContact O-N 2.96Å; I123-M125 HydrophobicContact CG2-CE 3.55Å; I123-M125 HydrophobicContact CG2-CG 3.74Å
124S65.7Low74.9Confident18 Ų1853.3 Ų53.313%0.12632%0.323CS..  trans-107.897.8174.5-176.60000110.5R360 E386S124-R360 VanDerWaalsContact CA-NH1 3.31Å; S124-R360 VanDerWaalsContact OG-CD 3.23Å; S124-R360 WeakPolarHBondContact OG-CD 3.26Å; S124-R360 WeakPolarHBondContact OG-CG 3.34Å; S124-R360 PolarHBondContact OG-NH1 3.44Å; S124-E386 VanDerWaalsContact CB-OE2 3.25Å; S124-E386 WeakPolarHBondContact CB-OE2 3.27Å; S124-E386 PolarHBondContact OG-OE2 3.43Å
125M79.6Confident75.6Confident1 Ų150.5 Ų50.51%0.00531%0.309CS..  trans-95.5150.2173.7-60.8-170.8-17600112.9D49 D52 K53 T110 F113 M114 L117 I123 R360D49-M125 WeakPolarHBondContact OD1-CA 3.1Å; D52-M125 HydrophobicContact CB-CE 4.34Å; K53-M125 HydrophobicContact CG-CE 3.58Å; K53-M125 HydrophobicContact CG-SD 4.22Å; T110-M125 HydrophobicContact CG2-CB 3.34Å; T110-M125 HydrophobicContact CG2-CG 3.94Å; T110-M125 HydrophobicContact CG2-SD 3.44Å; T110-M125 WeakPolarHBondContact CG2-SD 3.36Å; F113-M125 HydrophobicContact CD1-CE 3.14Å; F113-M125 HydrophobicContact CD1-SD 3.84Å; F113-M125 HydrophobicContact CE1-CE 3.25Å; F113-M125 HydrophobicContact CE1-SD 4.5Å; F113-M125 HydrophobicContact CG-CE 4.26Å; F113-M125 HydrophobicContact CZ-CE 4.45Å; M114-M125 HydrophobicContact CG-CB 4.33Å; M114-M125 HydrophobicContact CG-SD 4.42Å; M114-M125 HydrophobicContact SD-CB 4.05Å; M114-M125 HydrophobicContact SD-CG 3.94Å; M114-M125 HydrophobicContact SD-SD 4.27Å; L117-M125 HydrophobicContact CD1-CE 4.42Å; I123-M125 HydrophobicContact CG2-CE 3.55Å; I123-M125 HydrophobicContact CG2-CG 3.74Å; M125-R360 VanDerWaalsContact O-CD 3.26Å; M125-R360 WeakPolarHBondContact O-CD 3.06Å; M125-R360 PolarHBondContact O-NH1 2.94Å
126I77.6Confident76.3Confident12 Ų1245 Ų456%0.06228%0.284CS..  trans-96.9-42-168-66.3156.1000111.7D49 Q128 I209 R360 V362 R394D49-I126 PolarHBondContact OD1-N 3.43Å; I126-Q128 PolarHBondContact O-N 2.92Å; I126-I209 HydrophobicContact CD1-CD1 4.38Å; I126-R360 HydrophobicContact CG1-CB 3.96Å; I126-V362 HydrophobicContact CD1-CG2 3.53Å; I126-V362 HydrophobicContact CG1-CG2 4.08Å; I126-V362 HydrophobicContact CG2-CG2 4.2Å; I126-R394 VanDerWaalsContact O-CZ 3.32Å; I126-R394 PolarHBondContact O-NH1 2.89Å; I126-R394 PolarHBondContact O-NH2 3.31Å
127G75.4Confident77Confident7 Ų741.4 Ų41.47%0.07225%0.252CS..  trans-83.981.7-165.800000116.4D49 S108 T110D49-G127 WeakPolarHBondContact OD2-CA 3.35Å; D49-G127 PolarHBondContact OD2-N 3.38Å; S108-G127 PolarHBondContact OG-O 2.88Å; T110-G127 WeakPolarHBondContact CB-O 3.17Å
128Q75.9Confident78Confident98 Ų9841.3 Ų41.346%0.45825%0.252SS..  trans-94.3-23.2-177.4-62.3-175.70.100115.8I126I126-Q128 PolarHBondContact O-N 2.92Å
129F81.7Confident79.5Confident70 Ų7032.9 Ų32.931%0.30721%0.212SC..SBendtrans-85.1-27.5-169.6-59.5-67.8000115A106 V131 R394A106-F129 WeakPolarHBondContact CA-O 3.12Å; F129-V131 HydrophobicContact CB-CG2 3.95Å; F129-R394 VanDerWaalsContact CD2-NH2 3.32Å; F129-R394 HydrophobicContact CE2-CG 4.04Å
130G83.9Confident81.5Confident18 Ų1829 Ų2919%0.18618%0.18CC..SBendtrans70.828.9-176.800000114.6A106 K107A106-G130 PolarHBondContact N-O 3.42Å; K107-G130 WeakPolarHBondContact O-CA 3.23Å
131V87.4Confident83.5Confident8 Ų830.2 Ų30.25%0.04816%0.163CC..  trans-127.7-17.4176.7-60.80000114.2I28 I105 F129 F133 Y134 I392I28-V131 HydrophobicContact CD1-CG1 4.19Å; I105-V131 HydrophobicContact CG2-CG1 4.22Å; F129-V131 HydrophobicContact CB-CG2 3.95Å; V131-F133 VanDerWaalsContact C-N 3.3Å; V131-F133 PolarHBondContact O-N 2.59Å; V131-Y134 PolarHBondContact O-N 3.32Å; V131-Y134 VanDerWaalsContact O-N 3.12Å; V131-I392 HydrophobicContact CG2-CD1 4.48Å; V131-I392 HydrophobicContact CG2-CG1 4.22Å
132G88.1Confident85.4Confident9 Ų931.6 Ų31.69%0.09316%0.163CC..G310 helixtrans-60.4-32.7-172.400000114.4E42 Y134 S135E42-G132 WeakPolarHBondContact CB-O 3.3Å; E42-G132 WeakPolarHBondContact OE2-CA 3.46Å; G132-Y134 VanDerWaalsContact C-N 3.28Å; G132-Y134 PolarHBondContact O-N 2.94Å; G132-S135 VanDerWaalsContact O-CB 3.3Å; G132-S135 WeakPolarHBondContact O-CB 3.42Å; G132-S135 PolarHBondContact O-N 2.92Å; G132-S135 VanDerWaalsContact O-N 3.15Å; G132-S135 PolarHBondContact O-OG 2.87Å
133F93.5Very high87.2Confident22 Ų2223.7 Ų23.710%0.09612%0.121CC..G310 helixtrans-57.4-39.8176.3171.8-105.4000112.7L43 L102 V131 S135 A136 V143 V145 W157L43-F133 HydrophobicContact CD2-CD2 4.21Å; L102-F133 HydrophobicContact CD1-CB 4.25Å; L102-F133 HydrophobicContact CD1-CD1 3.4Å; L102-F133 HydrophobicContact CD1-CD2 3.72Å; L102-F133 HydrophobicContact CD1-CE1 3.53Å; L102-F133 HydrophobicContact CD1-CE2 3.85Å; L102-F133 HydrophobicContact CD1-CG 3.49Å; L102-F133 VanDerWaalsContact CD1-CG 3.49Å; L102-F133 HydrophobicContact CD1-CZ 3.75Å; L102-F133 HydrophobicContact CD2-CE1 4.28Å; L102-F133 HydrophobicContact CD2-CZ 4.13Å; L102-F133 HydrophobicContact CG-CD1 4.12Å; L102-F133 HydrophobicContact CG-CE1 3.86Å; L102-F133 HydrophobicContact CG-CZ 4.16Å; V131-F133 VanDerWaalsContact C-N 3.3Å; V131-F133 PolarHBondContact O-N 2.59Å; F133-S135 PolarHBondContact O-N 3.05Å; F133-A136 VanDerWaalsContact O-CB 3.25Å; F133-A136 WeakPolarHBondContact O-CB 3.15Å; F133-A136 PolarHBondContact O-N 2.56Å; F133-A136 VanDerWaalsContact O-N 3.1Å; F133-V143 HydrophobicContact CE2-CG1 4.13Å; F133-V143 HydrophobicContact CZ-CG1 3.81Å; F133-V145 HydrophobicContact CE2-CG2 3.74Å; F133-V145 HydrophobicContact CZ-CG2 3.65Å; F133-W157 AromaticContact CE1-CH2 3.83Å; F133-W157 HydrophobicContact CE1-CH2 3.83Å; F133-W157 HydrophobicContact CE1-CZ3 4.05Å; F133-W157 HydrophobicContact CZ-CH2 4.18Å; F133-W157 AromaticContact CZ-CZ3 3.9Å; F133-W157 HydrophobicContact CZ-CZ3 3.9Å
134Y92.8Very high88.7Confident19 Ų1923 Ų238%0.07512%0.117CC..G310 helixtrans-70.8-13.2-176.8-56.6-67.4000113.3M25 L102 I105 V131 G132 A136 Y137M25-Y134 HydrophobicContact CE-CD1 3.72Å; M25-Y134 HydrophobicContact CE-CD2 3.57Å; M25-Y134 HydrophobicContact CE-CE1 4.16Å; M25-Y134 HydrophobicContact CE-CE2 4Å; M25-Y134 HydrophobicContact CE-CG 3.41Å; M25-Y134 VanDerWaalsContact CE-CG 3.41Å; M25-Y134 HydrophobicContact SD-CD1 3.91Å; M25-Y134 HydrophobicContact SD-CG 3.79Å; L102-Y134 PolarHBondContact O-OH 2.83Å; I105-Y134 HydrophobicContact CB-CE2 4.44Å; I105-Y134 HydrophobicContact CG1-CE2 3.86Å; V131-Y134 PolarHBondContact O-N 3.32Å; V131-Y134 VanDerWaalsContact O-N 3.12Å; G132-Y134 VanDerWaalsContact C-N 3.28Å; G132-Y134 PolarHBondContact O-N 2.94Å; Y134-A136 PolarHBondContact O-N 3Å; Y134-Y137 HydrophobicContact CD1-CE2 4.32Å; Y134-Y137 WeakPolarHBondContact O-CD2 3.32Å; Y134-Y137 PolarHBondContact O-N 3.26Å; Y134-Y137 VanDerWaalsContact O-N 3.14Å
135S92.9Very high90.2Very high0 Ų022.2 Ų22.20%011%0.112CC..G310 helixtrans-61.4-18.8170730000112.9I38 G132 F133 Y137 L138I38-S135 VanDerWaalsContact CD1-CB 3.44Å; G132-S135 VanDerWaalsContact O-CB 3.3Å; G132-S135 WeakPolarHBondContact O-CB 3.42Å; G132-S135 PolarHBondContact O-N 2.92Å; G132-S135 VanDerWaalsContact O-N 3.15Å; G132-S135 PolarHBondContact O-OG 2.87Å; F133-S135 PolarHBondContact O-N 3.05Å; S135-Y137 PolarHBondContact O-N 3.25Å; S135-L138 WeakPolarHBondContact O-CB 3.41Å; S135-L138 WeakPolarHBondContact O-CD1 3.37Å; S135-L138 VanDerWaalsContact O-CG 3.23Å; S135-L138 WeakPolarHBondContact O-CG 3.38Å; S135-L138 PolarHBondContact O-N 3.09Å
136A95.9Very high91.1Very high0 Ų023.2 Ų23.20%012%0.117CC..G310 helixtrans-53.9-34.5171.600000112.7F133 Y134 L138 V139 A140 V143 L183F133-A136 VanDerWaalsContact O-CB 3.25Å; F133-A136 WeakPolarHBondContact O-CB 3.15Å; F133-A136 PolarHBondContact O-N 2.56Å; F133-A136 VanDerWaalsContact O-N 3.1Å; Y134-A136 PolarHBondContact O-N 3Å; A136-L138 PolarHBondContact O-N 2.91Å; A136-V139 WeakPolarHBondContact O-CG2 3.47Å; A136-V139 PolarHBondContact O-N 2.97Å; A136-A140 VanDerWaalsContact O-CB 3.31Å; A136-A140 WeakPolarHBondContact O-CB 3.28Å; A136-A140 PolarHBondContact O-N 2.84Å; A136-V143 HydrophobicContact CB-CG2 3.95Å; A136-L183 HydrophobicContact CB-CD2 3.84Å
137Y95.4Very high92.1Very high7 Ų722.6 Ų22.63%0.02711%0.114CC..G310 helixtrans-75.1-3.8178.7-64.3-77.7000114.2I29 Y134 S135 V139 A140 V143 W157 S159 A161 K186I29-Y137 HydrophobicContact CD1-CG 4.24Å; Y134-Y137 HydrophobicContact CD1-CE2 4.32Å; Y134-Y137 WeakPolarHBondContact O-CD2 3.32Å; Y134-Y137 PolarHBondContact O-N 3.26Å; Y134-Y137 VanDerWaalsContact O-N 3.14Å; S135-Y137 PolarHBondContact O-N 3.25Å; Y137-V139 PolarHBondContact O-N 2.64Å; Y137-A140 WeakPolarHBondContact CA-O 3.19Å; Y137-V143 HydrophobicContact CD1-CG2 4.06Å; Y137-V143 HydrophobicContact CE1-CB 4.12Å; Y137-V143 HydrophobicContact CE1-CG2 3.64Å; Y137-V143 HydrophobicContact CE2-CG2 4.16Å; Y137-V143 HydrophobicContact CG-CG2 4.49Å; Y137-W157 WeakPolarHBondContact OH-CH2 3.14Å; Y137-S159 WeakPolarHBondContact OH-CB 3.38Å; Y137-S159 PolarHBondContact OH-O 2.99Å; Y137-S159 VanDerWaalsContact OH-O 3.09Å; Y137-A161 HydrophobicContact CD1-CB 3.71Å; Y137-A161 HydrophobicContact CD2-CB 4.01Å; Y137-A161 HydrophobicContact CE1-CB 3.8Å; Y137-A161 HydrophobicContact CE2-CB 4.12Å; Y137-A161 HydrophobicContact CG-CB 3.81Å; Y137-K186 PolarHBondContact O-NZ 3.4Å
138L94.1Very high93.1Very high13 Ų1324.5 Ų24.57%0.06812%0.12CC..G310 helixtrans-58.2-42.8166.4-72.8167.5000110.2I29 Y33 K36 I38 S135 A136 K186I29-L138 HydrophobicContact CG2-CD2 4.37Å; I29-L138 WeakPolarHBondContact O-CD2 3.31Å; Y33-L138 HydrophobicContact CD2-CD1 4.03Å; Y33-L138 HydrophobicContact CG-CD1 4.11Å; K36-L138 HydrophobicContact CB-CB 4.49Å; K36-L138 HydrophobicContact CG-CB 4.4Å; I38-L138 HydrophobicContact CD1-CD1 3.73Å; I38-L138 HydrophobicContact CG1-CD1 4.05Å; S135-L138 WeakPolarHBondContact O-CB 3.41Å; S135-L138 WeakPolarHBondContact O-CD1 3.37Å; S135-L138 VanDerWaalsContact O-CG 3.23Å; S135-L138 WeakPolarHBondContact O-CG 3.38Å; S135-L138 PolarHBondContact O-N 3.09Å; A136-L138 PolarHBondContact O-N 2.91Å; L138-K186 PolarHBondContact O-NZ 3.12Å
139V96.3Very high94.1Very high0 Ų021 Ų210%010%0.103CC..THydrogen-bonded Turntrans-112.1-22.1-174.2-58.90000113.7K36 F39 A136 Y137 L185 K186 Q189 Y192K36-V139 HydrophobicContact CB-CG1 4.05Å; F39-V139 HydrophobicContact CB-CG2 4.32Å; F39-V139 HydrophobicContact CD1-CB 4.41Å; F39-V139 HydrophobicContact CD1-CG1 3.79Å; F39-V139 HydrophobicContact CD1-CG2 3.72Å; F39-V139 HydrophobicContact CD2-CG2 3.62Å; F39-V139 HydrophobicContact CE1-CB 4.41Å; F39-V139 HydrophobicContact CE1-CG1 3.95Å; F39-V139 HydrophobicContact CE1-CG2 3.82Å; F39-V139 HydrophobicContact CE2-CG2 3.74Å; F39-V139 HydrophobicContact CG-CG1 4.39Å; F39-V139 HydrophobicContact CG-CG2 3.6Å; F39-V139 HydrophobicContact CZ-CG2 3.82Å; A136-V139 WeakPolarHBondContact O-CG2 3.47Å; A136-V139 PolarHBondContact O-N 2.97Å; Y137-V139 PolarHBondContact O-N 2.64Å; V139-L185 HydrophobicContact CB-CD2 4.34Å; V139-L185 HydrophobicContact CG2-CD2 3.97Å; V139-K186 WeakPolarHBondContact O-CG 3.47Å; V139-K186 PolarHBondContact O-N 2.95Å; V139-Q189 HydrophobicContact CB-CB 4.19Å; V139-Q189 HydrophobicContact CB-CG 4.22Å; V139-Q189 HydrophobicContact CG1-CG 4.47Å; V139-Y192 HydrophobicContact CB-CD2 4.47Å; V139-Y192 HydrophobicContact CG1-CD2 4.08Å; V139-Y192 HydrophobicContact CG1-CE2 3.75Å
140A97Very high94.8Very high1 Ų119.7 Ų19.71%0.00810%0.1CC..EExtended strand (participates in β ladder)trans-102.8143.8-179.200000112.7A136 Y137 V143 L183 Y184 K186A136-A140 VanDerWaalsContact O-CB 3.31Å; A136-A140 WeakPolarHBondContact O-CB 3.28Å; A136-A140 PolarHBondContact O-N 2.84Å; Y137-A140 WeakPolarHBondContact CA-O 3.19Å; A140-V143 HydrophobicContact CB-CG2 4.04Å; A140-L183 HydrophobicContact CB-CB 4.16Å; A140-L183 HydrophobicContact CB-CD2 4.36Å; A140-Y184 CarbonylContact C-O 3.59Å; A140-Y184 WeakPolarHBondContact CA-O 3.32Å; A140-Y184 WeakPolarHBondContact CB-O 3.48Å; A140-K186 WeakPolarHBondContact O-CE 3.38Å
141E95.7Very high95.3Very high111 Ų11124.2 Ų24.252%0.51912%0.12SC..EExtended strand (participates in β ladder)trans-82-31.9169.6-64.4-179.2179.400111.4S160 Y184 K186E141-S160 WeakPolarHBondContact O-CA 3.32Å; E141-Y184 PolarHBondContact N-O 3.41Å; E141-K186 HydrophobicContact CG-CB 4.13Å; E141-K186 HydrophobicContact CG-CG 3.38Å
142K96.9Very high95.7Very high62 Ų6225.9 Ų25.927%0.2713%0.129SC..EExtended strand (participates in β ladder)trans-145.6140.4-175.9174.7-174.2177.3177.20109.5E158 Y184K142-E158 WeakPolarHBondContact CE-OE1 3.41Å; K142-E158 IonicContact NZ-OE1 2.74Å; K142-E158 PolarHBondContact NZ-OE1 3.33Å; K142-Y184 HydrophobicContact CB-CD2 4.2Å; K142-Y184 HydrophobicContact CB-CG 4.32Å; K142-Y184 HydrophobicContact CD-CD2 4.09Å; K142-Y184 HydrophobicContact CD-CE2 4.36Å; K142-Y184 HydrophobicContact CD-CG 4.43Å; K142-Y184 HydrophobicContact CG-CD2 4.06Å; K142-Y184 WeakPolarHBondContact O-CB 3.49Å; K142-Y184 PolarHBondContact O-N 2.83Å
143V98Very high96.1Very high0 Ų031 Ų310%015%0.15CC..EExtended strand (participates in β ladder)trans-123.6129.9176.7-178.40000108.9F133 A136 Y137 A140 V145 W157 S159 V181 I182 L183F133-V143 HydrophobicContact CE2-CG1 4.13Å; F133-V143 HydrophobicContact CZ-CG1 3.81Å; A136-V143 HydrophobicContact CB-CG2 3.95Å; Y137-V143 HydrophobicContact CD1-CG2 4.06Å; Y137-V143 HydrophobicContact CE1-CB 4.12Å; Y137-V143 HydrophobicContact CE1-CG2 3.64Å; Y137-V143 HydrophobicContact CE2-CG2 4.16Å; Y137-V143 HydrophobicContact CG-CG2 4.49Å; A140-V143 HydrophobicContact CB-CG2 4.04Å; V143-V145 HydrophobicContact CG1-CG2 4.02Å; V143-W157 HydrophobicContact CB-CZ3 4.46Å; V143-S159 PolarHBondContact N-O 2.88Å; V143-S159 PolarHBondContact O-N 3.04Å; V143-S159 VanDerWaalsContact O-N 3.14Å; V143-V181 HydrophobicContact CG1-CG1 4.01Å; V143-I182 WeakPolarHBondContact CA-O 3.43Å; V143-L183 HydrophobicContact CG1-CD2 4.08Å; V143-L183 HydrophobicContact CG2-CD2 3.86Å
144V98Very high96.3Very high7 Ų731.1 Ų31.14%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-115.9130.2171.8179.20000108I146 W157 E158 I182 Y184V144-I146 HydrophobicContact CG1-CG1 4.08Å; V144-W157 CarbonylContact C-O 3.54Å; V144-W157 WeakPolarHBondContact CA-O 3.39Å; V144-E158 HydrophobicContact CG2-CB 4.3Å; V144-E158 HydrophobicContact CG2-CG 3.98Å; V144-I182 HydrophobicContact CB-CB 4.24Å; V144-I182 PolarHBondContact N-O 3.23Å; V144-I182 PolarHBondContact O-N 3.18Å; V144-Y184 HydrophobicContact CB-CE2 4.43Å; V144-Y184 HydrophobicContact CG2-CD2 4.46Å; V144-Y184 HydrophobicContact CG2-CE2 3.75Å
145V98.2Very high96.6Very high2 Ų231.2 Ų31.21%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-119.8112.7179.1-179.20000108M93 L102 F133 V143 W157 T179 K180 V181M93-V145 HydrophobicContact CE-CG1 4.04Å; L102-V145 HydrophobicContact CD2-CB 4.12Å; L102-V145 HydrophobicContact CD2-CG1 4.15Å; L102-V145 HydrophobicContact CD2-CG2 4.01Å; F133-V145 HydrophobicContact CE2-CG2 3.74Å; F133-V145 HydrophobicContact CZ-CG2 3.65Å; V143-V145 HydrophobicContact CG1-CG2 4.02Å; V145-W157 HydrophobicContact CB-CB 4.25Å; V145-W157 HydrophobicContact CB-CE3 4.2Å; V145-W157 HydrophobicContact CG2-CE3 3.94Å; V145-W157 HydrophobicContact CG2-CZ3 4.38Å; V145-W157 PolarHBondContact N-O 3.42Å; V145-W157 PolarHBondContact O-N 2.7Å; V145-T179 HydrophobicContact CG1-CG2 3.36Å; V145-K180 WeakPolarHBondContact CA-O 3.5Å; V145-V181 HydrophobicContact CG2-CG1 4.43Å; V145-V181 HydrophobicContact CG2-CG2 4.41Å
146I98.3Very high96.8Very high21 Ų2131.2 Ų31.211%0.10815%0.151CC..EExtended strand (participates in β ladder)trans-105126.7176-52.2176.4000107.4V144 Q154 Y155 A156 D170 I175 T179 K180 I182V144-I146 HydrophobicContact CG1-CG1 4.08Å; I146-Q154 HydrophobicContact CG2-CG 3.98Å; I146-Y155 WeakPolarHBondContact CA-O 3.5Å; I146-A156 HydrophobicContact CG1-CB 4.22Å; I146-D170 HydrophobicContact CG2-CB 4.35Å; I146-D170 WeakPolarHBondContact CG2-OD2 3.3Å; I146-I175 HydrophobicContact CB-CD1 4.08Å; I146-I175 HydrophobicContact CG2-CD1 3.63Å; I146-T179 CarbonylContact O-C 3.46Å; I146-T179 WeakPolarHBondContact O-CA 3.37Å; I146-T179 WeakPolarHBondContact O-CG2 3.36Å; I146-K180 HydrophobicContact CB-CB 4.35Å; I146-K180 PolarHBondContact N-O 3.18Å; I146-K180 PolarHBondContact O-N 3.1Å; I146-I182 HydrophobicContact CD1-CD1 4Å
147T98.1Very high96.9Very high0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-140.5148.2-173.6-168.50000111.6G92 M93 L98 Q154 Y155 G178 T179G92-T147 WeakPolarHBondContact CA-OG1 3.37Å; M93-T147 HydrophobicContact CB-CG2 3.96Å; M93-T147 PolarHBondContact N-OG1 2.68Å; M93-T147 WeakPolarHBondContact O-CG2 3.19Å; L98-T147 HydrophobicContact CD1-CG2 3.77Å; L98-T147 HydrophobicContact CD2-CG2 3.86Å; L98-T147 HydrophobicContact CG-CG2 3.96Å; T147-Q154 WeakPolarHBondContact O-CA 3.48Å; T147-Y155 PolarHBondContact N-O 3.17Å; T147-Y155 PolarHBondContact O-N 3.37Å; T147-G178 WeakPolarHBondContact CA-O 3.33Å; T147-G178 PolarHBondContact OG1-O 2.97Å; T147-G178 VanDerWaalsContact OG1-O 3.05Å; T147-T179 PolarHBondContact OG1-OG1 3.34Å
148K97.4Very high97Very high46 Ų4633.3 Ų33.320%0.216%0.161CC..EExtended strand (participates in β ladder)trans-133.9109.9173.1178.567172.6720109.1D152 Q154 I175 R177 G178K148-D152 WeakPolarHBondContact CD-O 3.2Å; K148-D152 WeakPolarHBondContact CE-O 3.49Å; K148-D152 PolarHBondContact NZ-O 2.66Å; K148-Q154 HydrophobicContact CB-CG 4.42Å; K148-Q154 HydrophobicContact CD-CB 4.13Å; K148-I175 HydrophobicContact CB-CB 4.26Å; K148-I175 HydrophobicContact CB-CG2 4.35Å; K148-I175 WeakPolarHBondContact CG-O 3.34Å; K148-R177 WeakPolarHBondContact O-CA 3.33Å; K148-G178 PolarHBondContact N-O 3.34Å; K148-G178 PolarHBondContact O-N 3.39Å; K148-G178 VanDerWaalsContact O-N 3.07Å
149H97.3Very high97.1Very high24 Ų2433.3 Ų33.311%0.11116%0.162CC..  trans-86.4151166.3-169.7-96.6000110.2I91 T94 D151 D152I91-H149 PolarHBondContact O-CD2 3.33Å; T94-H149 HydrophobicContact CG2-CB 4Å; H149-D151 IonicContact CE1-OD2 3.47Å; H149-D151 PolarHBondContact CE1-OD2 2.94Å; H149-D151 VanDerWaalsContact CE1-OD2 3.22Å; H149-D151 WeakPolarHBondContact ND1-CB 3.27Å; H149-D151 PolarHBondContact ND1-N 3Å; H149-D151 IonicContact ND1-OD2 3.53Å; H149-D151 PolarHBondContact O-N 3.25Å; H149-D152 PolarHBondContact O-N 3.34Å
150N94.9Very high96.9Very high44 Ų4437 Ų3724%0.23519%0.188CC..THydrogen-bonded Turntrans-58.5-35.7178.6-77.5-14.5000112.4K64 S67K64-N150 PolarHBondContact O-ND2 3.16Å; S67-N150 WeakPolarHBondContact CB-OD1 3.48Å; S67-N150 PolarHBondContact OG-OD1 3.14Å
151D95.4Very high96.5Very high112 Ų11238.3 Ų38.360%0.59920%0.199SC*.THydrogen-bonded Turntrans-929-173.8-53-28.8000114.4K64 H149K64-D151 IonicContact NZ-OD1 2.62Å; K64-D151 PolarHBondContact NZ-OD1 3.32Å; K64-D151 IonicContact NZ-OD2 3.25Å; H149-D151 IonicContact CE1-OD2 3.47Å; H149-D151 PolarHBondContact CE1-OD2 2.94Å; H149-D151 VanDerWaalsContact CE1-OD2 3.22Å; H149-D151 WeakPolarHBondContact ND1-CB 3.27Å; H149-D151 PolarHBondContact ND1-N 3Å; H149-D151 IonicContact ND1-OD2 3.53Å; H149-D151 PolarHBondContact O-N 3.25Å
152D96.5Very high95.9Very high44 Ų4436.1 Ų36.124%0.23521%0.206CC..SBendtrans-149173.5179.7-154.3-13000111.6T94 K95 K148 H149 Y155T94-D152 WeakPolarHBondContact CB-OD2 3.44Å; T94-D152 HydrophobicContact CG2-CB 4.03Å; K95-D152 PolarHBondContact N-OD2 3.48Å; K148-D152 WeakPolarHBondContact CD-O 3.2Å; K148-D152 WeakPolarHBondContact CE-O 3.49Å; K148-D152 PolarHBondContact NZ-O 2.66Å; H149-D152 PolarHBondContact O-N 3.34Å; D152-Y155 HydrophobicContact CB-CE2 4.3Å; D152-Y155 VanDerWaalsContact CG-CE2 3.43Å; D152-Y155 VanDerWaalsContact OD1-CE2 3.25Å; D152-Y155 WeakPolarHBondContact OD1-CE2 3.45Å; D152-Y155 PolarHBondContact OD1-OH 2.92Å; D152-Y155 WeakPolarHBondContact OD2-CE2 3.41Å
153E95.9Very high95.3Very high116 Ų11635.5 Ų35.554%0.54222%0.217SC..  trans-74.3175.9175.1-64.4-171.2171.500112.8Y155E153-Y155 HydrophobicContact CB-CE2 3.96Å; E153-Y155 WeakPolarHBondContact O-CD2 3.39Å; E153-Y155 WeakPolarHBondContact O-CE2 3.42Å
154Q97.7Very high94.9Very high25 Ų2539.6 Ų39.612%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-82.3129.6173.9-167.3171.2-51.600110I146 T147 K148 D170 E173I146-Q154 HydrophobicContact CG2-CG 3.98Å; T147-Q154 WeakPolarHBondContact O-CA 3.48Å; K148-Q154 HydrophobicContact CB-CG 4.42Å; K148-Q154 HydrophobicContact CD-CB 4.13Å; Q154-D170 HydrophobicContact CB-CB 4.44Å; Q154-D170 HydrophobicContact CG-CB 3.96Å; Q154-D170 PolarHBondContact NE2-OD2 2.78Å; Q154-D170 PolarHBondContact O-N 2.87Å; Q154-E173 PolarHBondContact NE2-O 3.03Å
155Y97.8Very high94.8Very high21 Ų2142.5 Ų42.58%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-127.7148.8178.8-59.6-84.9000111.6K95 I146 T147 D152 E153 V167 R168K95-Y155 HydrophobicContact CB-CD1 4.45Å; K95-Y155 HydrophobicContact CB-CD2 4.08Å; K95-Y155 HydrophobicContact CB-CE1 4.16Å; K95-Y155 HydrophobicContact CB-CE2 3.77Å; K95-Y155 HydrophobicContact CB-CG 4.41Å; K95-Y155 HydrophobicContact CD-CD1 4.33Å; K95-Y155 HydrophobicContact CD-CE1 3.77Å; K95-Y155 HydrophobicContact CG-CD1 4.4Å; K95-Y155 HydrophobicContact CG-CE1 4.22Å; I146-Y155 WeakPolarHBondContact CA-O 3.5Å; T147-Y155 PolarHBondContact N-O 3.17Å; T147-Y155 PolarHBondContact O-N 3.37Å; D152-Y155 HydrophobicContact CB-CE2 4.3Å; D152-Y155 VanDerWaalsContact CG-CE2 3.43Å; D152-Y155 VanDerWaalsContact OD1-CE2 3.25Å; D152-Y155 WeakPolarHBondContact OD1-CE2 3.45Å; D152-Y155 PolarHBondContact OD1-OH 2.92Å; D152-Y155 WeakPolarHBondContact OD2-CE2 3.41Å; E153-Y155 HydrophobicContact CB-CE2 3.96Å; E153-Y155 WeakPolarHBondContact O-CD2 3.39Å; E153-Y155 WeakPolarHBondContact O-CE2 3.42Å; Y155-V167 HydrophobicContact CD1-CG1 4.43Å; Y155-R168 CarbonylContact C-O 3.57Å; Y155-R168 VanDerWaalsContact CA-O 3.31Å; Y155-R168 WeakPolarHBondContact CA-O 3.43Å
156A97.6Very high94.7Very high0 Ų046.2 Ų46.20%028%0.28CS..EExtended strand (participates in β ladder)trans-109.7118.3170.500000109.9I146 V167 R168 D170I146-A156 HydrophobicContact CG1-CB 4.22Å; A156-V167 WeakPolarHBondContact O-CA 3.43Å; A156-R168 HydrophobicContact CB-CG 3.96Å; A156-R168 PolarHBondContact N-O 3.02Å; A156-R168 PolarHBondContact O-N 3.19Å; A156-D170 HydrophobicContact CB-CB 4.22Å
157W98.1Very high94.6Very high4 Ų447.1 Ų47.12%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-96.3137.5169.3178.9104.6000109.6L98 L102 F133 Y137 V143 V144 V145 F165 T166 V167L98-W157 HydrophobicContact CD1-CB 4.28Å; L98-W157 HydrophobicContact CD2-CB 3.96Å; L98-W157 HydrophobicContact CD2-CG 4.43Å; L102-W157 HydrophobicContact CD2-CB 4.49Å; L102-W157 HydrophobicContact CD2-CD2 3.74Å; L102-W157 HydrophobicContact CD2-CE3 4.09Å; L102-W157 HydrophobicContact CD2-CG 3.93Å; L102-W157 HydrophobicContact CD2-CZ2 4.5Å; F133-W157 AromaticContact CE1-CH2 3.83Å; F133-W157 HydrophobicContact CE1-CH2 3.83Å; F133-W157 HydrophobicContact CE1-CZ3 4.05Å; F133-W157 HydrophobicContact CZ-CH2 4.18Å; F133-W157 AromaticContact CZ-CZ3 3.9Å; F133-W157 HydrophobicContact CZ-CZ3 3.9Å; Y137-W157 WeakPolarHBondContact OH-CH2 3.14Å; V143-W157 HydrophobicContact CB-CZ3 4.46Å; V144-W157 CarbonylContact C-O 3.54Å; V144-W157 WeakPolarHBondContact CA-O 3.39Å; V145-W157 HydrophobicContact CB-CB 4.25Å; V145-W157 HydrophobicContact CB-CE3 4.2Å; V145-W157 HydrophobicContact CG2-CE3 3.94Å; V145-W157 HydrophobicContact CG2-CZ3 4.38Å; V145-W157 PolarHBondContact N-O 3.42Å; V145-W157 PolarHBondContact O-N 2.7Å; W157-F165 AromaticContact CD1-CD2 3.51Å; W157-F165 AromaticContact CD1-CE2 3.99Å; W157-F165 HydrophobicContact CD2-CB 4.47Å; W157-F165 AromaticContact CE2-CD2 3.93Å; W157-F165 AromaticContact CE2-CG 3.76Å; W157-F165 HydrophobicContact CH2-CB 4.44Å; W157-F165 HydrophobicContact CZ2-CB 3.53Å; W157-F165 HydrophobicContact CZ2-CD1 4.37Å; W157-F165 AromaticContact CZ2-CG 3.94Å; W157-F165 HydrophobicContact CZ2-CG 3.94Å; W157-F165 AromaticContact NE1-CD2 3Å; W157-F165 AromaticContact NE1-CE2 3.59Å; W157-F165 AromaticContact NE1-CG 3.24Å; W157-T166 VanDerWaalsContact CA-O 3.31Å; W157-T166 WeakPolarHBondContact CA-O 3.44Å; W157-V167 HydrophobicContact CG-CG2 4.48Å
158E97.4Very high94.5Very high46 Ų4652.5 Ų52.522%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-143.3132.5-176.1176.8173.7162.300111.8K142 V144 F165 T166 R168K142-E158 WeakPolarHBondContact CE-OE1 3.41Å; K142-E158 IonicContact NZ-OE1 2.74Å; K142-E158 PolarHBondContact NZ-OE1 3.33Å; V144-E158 HydrophobicContact CG2-CB 4.3Å; V144-E158 HydrophobicContact CG2-CG 3.98Å; E158-F165 WeakPolarHBondContact O-CA 3.42Å; E158-T166 PolarHBondContact N-O 3.3Å; E158-T166 PolarHBondContact O-N 3.22Å; E158-R168 IonicContact OE2-CZ 3.25Å; E158-R168 IonicContact OE2-NH1 2.9Å; E158-R168 PolarHBondContact OE2-NH1 3.21Å; E158-R168 IonicContact OE2-NH2 2.75Å; E158-R168 PolarHBondContact OE2-NH2 3.17Å
159S95.8Very high94.4Very high14 Ų1453 Ų5310%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-154.6155.2174.3-175.20000112.3Y137 V143 A161 S164Y137-S159 WeakPolarHBondContact OH-CB 3.38Å; Y137-S159 PolarHBondContact OH-O 2.99Å; Y137-S159 VanDerWaalsContact OH-O 3.09Å; V143-S159 PolarHBondContact N-O 2.88Å; V143-S159 PolarHBondContact O-N 3.04Å; V143-S159 VanDerWaalsContact O-N 3.14Å; S159-A161 PolarHBondContact OG-N 3.48Å; S159-S164 PolarHBondContact OG-O 2.88Å
160S93.1Very high94.3Very high77 Ų7753.2 Ų53.254%0.53832%0.316SS..  trans-115.323172.363.50000112E141 G162E141-S160 WeakPolarHBondContact O-CA 3.32Å; S160-G162 PolarHBondContact O-N 3.43Å
161A88.8Confident94Very high29 Ų2959.2 Ų59.224%0.2434%0.343CS..SBendtrans57.815.4-174.100000115.7M25 I29 Y137 S159 G163M25-A161 HydrophobicContact CG-CB 4.34Å; I29-A161 HydrophobicContact CD1-CB 4Å; Y137-A161 HydrophobicContact CD1-CB 3.71Å; Y137-A161 HydrophobicContact CD2-CB 4.01Å; Y137-A161 HydrophobicContact CE1-CB 3.8Å; Y137-A161 HydrophobicContact CE2-CB 4.12Å; Y137-A161 HydrophobicContact CG-CB 3.81Å; S159-A161 PolarHBondContact OG-N 3.48Å; A161-G163 PolarHBondContact O-N 2.8Å
162G82.9Confident93.5Very high64 Ų6456 Ų5666%0.6634%0.336SS*.SBendtrans-77.426.217900000115.5S160S160-G162 PolarHBondContact O-N 3.43Å
163G83.6Confident93.1Very high49 Ų4960.6 Ų60.651%0.50536%0.356SS..SBendtrans85.2018000000116.1A161A161-G163 PolarHBondContact O-N 2.8Å
164S90.3Very high92.8Very high86 Ų8660.7 Ų60.760%0.60137%0.367SS*.  trans-145.3167.3174.463.40000112.2S159S159-S164 PolarHBondContact OG-O 2.88Å
165F95.8Very high92.6Very high69 Ų6961 Ų6130%0.30337%0.369SS..  trans-142.5161.8174.263.8-94.6000110.1I99 W157 E158 V167I99-F165 HydrophobicContact CG1-CE2 4.4Å; I99-F165 HydrophobicContact CG2-CZ 4.49Å; W157-F165 AromaticContact CD1-CD2 3.51Å; W157-F165 AromaticContact CD1-CE2 3.99Å; W157-F165 HydrophobicContact CD2-CB 4.47Å; W157-F165 AromaticContact CE2-CD2 3.93Å; W157-F165 AromaticContact CE2-CG 3.76Å; W157-F165 HydrophobicContact CH2-CB 4.44Å; W157-F165 HydrophobicContact CZ2-CB 3.53Å; W157-F165 HydrophobicContact CZ2-CD1 4.37Å; W157-F165 AromaticContact CZ2-CG 3.94Å; W157-F165 HydrophobicContact CZ2-CG 3.94Å; W157-F165 AromaticContact NE1-CD2 3Å; W157-F165 AromaticContact NE1-CE2 3.59Å; W157-F165 AromaticContact NE1-CG 3.24Å; E158-F165 WeakPolarHBondContact O-CA 3.42Å; F165-V167 HydrophobicContact CD2-CG2 4.03Å; F165-V167 HydrophobicContact CE2-CG2 3.98Å
166T96.3Very high92.3Very high79 Ų7962.4 Ų62.449%0.48539%0.389SS..EExtended strand (participates in β ladder)trans-121.4152.2176.462.30000110.7W157 E158W157-T166 VanDerWaalsContact CA-O 3.31Å; W157-T166 WeakPolarHBondContact CA-O 3.44Å; E158-T166 PolarHBondContact N-O 3.3Å; E158-T166 PolarHBondContact O-N 3.22Å
167V96.8Very high92.2Very high40 Ų4063 Ų6324%0.24239%0.391CS..EExtended strand (participates in β ladder)trans-132.5125.9174.9-176.80000108.4K95 L98 I99 Y155 A156 W157 F165K95-V167 HydrophobicContact CG-CG1 4.25Å; L98-V167 HydrophobicContact CD1-CG1 4.14Å; I99-V167 HydrophobicContact CG1-CG2 4.33Å; Y155-V167 HydrophobicContact CD1-CG1 4.43Å; A156-V167 WeakPolarHBondContact O-CA 3.43Å; W157-V167 HydrophobicContact CG-CG2 4.48Å; F165-V167 HydrophobicContact CD2-CG2 4.03Å; F165-V167 HydrophobicContact CE2-CG2 3.98Å
168R96Very high92.1Very high114 Ų11462.8 Ų62.843%0.4339%0.391SS..EExtended strand (participates in β ladder)trans-130.9155.4176.463.1179.2178.9-91.13.2110.5Y155 A156 E158Y155-R168 CarbonylContact C-O 3.57Å; Y155-R168 VanDerWaalsContact CA-O 3.31Å; Y155-R168 WeakPolarHBondContact CA-O 3.43Å; A156-R168 HydrophobicContact CB-CG 3.96Å; A156-R168 PolarHBondContact N-O 3.02Å; A156-R168 PolarHBondContact O-N 3.19Å; E158-R168 IonicContact OE2-CZ 3.25Å; E158-R168 IonicContact OE2-NH1 2.9Å; E158-R168 PolarHBondContact OE2-NH1 3.21Å; E158-R168 IonicContact OE2-NH2 2.75Å; E158-R168 PolarHBondContact OE2-NH2 3.17Å
169T95.4Very high92.2Very high55 Ų5561 Ų6134%0.33738%0.383SS..EExtended strand (participates in β ladder)trans-63.4136.2164.7-54.40000108.3
170D93.3Very high92.3Very high30 Ų3062.6 Ų62.616%0.1639%0.388CS..  trans-93.1142177.9-170.525.7000111I146 Q154 A156 G172I146-D170 HydrophobicContact CG2-CB 4.35Å; I146-D170 WeakPolarHBondContact CG2-OD2 3.3Å; Q154-D170 HydrophobicContact CB-CB 4.44Å; Q154-D170 HydrophobicContact CG-CB 3.96Å; Q154-D170 PolarHBondContact NE2-OD2 2.78Å; Q154-D170 PolarHBondContact O-N 2.87Å; A156-D170 HydrophobicContact CB-CB 4.22Å; D170-G172 PolarHBondContact OD1-N 2.63Å; D170-G172 VanDerWaalsContact OD1-N 3.08Å
171H88.8Confident92.5Very high170 Ų17059.5 Ų59.579%0.78737%0.366SS*.  trans-125.510178.5-58.2-51.7000111.8
172G85.5Confident92.9Very high45 Ų4559.1 Ų59.146%0.46436%0.36SS..SBendtrans-78.8-147.5177.500000113.6D170 P174D170-G172 PolarHBondContact OD1-N 2.63Å; D170-G172 VanDerWaalsContact OD1-N 3.08Å; G172-P174 WeakPolarHBondContact O-CD 3.18Å
173E88.8Confident93.7Very high140 Ų14056.1 Ų56.165%0.65433%0.329SS*.SBendtrans-58123.4178.5-172.7-177.3-169.800111.1Q154 I175 K180Q154-E173 PolarHBondContact NE2-O 3.03Å; E173-I175 PolarHBondContact O-N 3.13Å; E173-K180 IonicContact OE2-NZ 3.74Å; E173-K180 PolarHBondContact OE2-NZ 2.9Å; E173-K180 VanDerWaalsContact OE2-NZ 3.15Å
174P90Very high94.4Very high118 Ų11858 Ų5877%0.76632%0.321SS*.PPolyproline II helixtrans-65.1127180-2333.6000112.4G172G172-P174 WeakPolarHBondContact O-CD 3.18Å
175I92.8Very high94.7Very high31 Ų3154.2 Ų54.216%0.15929%0.294CS..PPolyproline II helixtrans-100.8124.4172-56.1179.1000107.7I146 K148 E173 K180I146-I175 HydrophobicContact CB-CD1 4.08Å; I146-I175 HydrophobicContact CG2-CD1 3.63Å; K148-I175 HydrophobicContact CB-CB 4.26Å; K148-I175 HydrophobicContact CB-CG2 4.35Å; K148-I175 WeakPolarHBondContact CG-O 3.34Å; E173-I175 PolarHBondContact O-N 3.13Å; I175-K180 HydrophobicContact CD1-CB 3.94Å
176G90.7Very high94.8Very high50 Ų5053.4 Ų53.452%0.51529%0.29SS..SBendtrans-64.3-50.7178.100000112.5
177R95.7Very high94.7Very high12 Ų1256.4 Ų56.45%0.04530%0.299CS..SBendtrans-160151.6175.6-165.8-171.460-128-5.1109.9K64 G68 T89 G90 K148K64-R177 PolarHBondContact O-NH1 3.37Å; G68-R177 PolarHBondContact O-NH1 3.05Å; G68-R177 PolarHBondContact O-NH2 3.28Å; T89-R177 PolarHBondContact O-NE 3.42Å; T89-R177 PolarHBondContact O-NH2 2.92Å; G90-R177 WeakPolarHBondContact O-CD 3.27Å; G90-R177 VanDerWaalsContact O-CG 3.29Å; G90-R177 WeakPolarHBondContact O-CG 3.45Å; G90-R177 PolarHBondContact O-NE 3.44Å; K148-R177 WeakPolarHBondContact O-CA 3.33Å
178G96.9Very high94.6Very high0 Ų059.4 Ų59.40%031%0.314CS..EExtended strand (participates in β ladder)trans106.4-151.3173.100000112.3D88 G90 T147 K148D88-G178 WeakPolarHBondContact O-CA 3.47Å; G90-G178 WeakPolarHBondContact O-CA 3.3Å; G90-G178 PolarHBondContact O-N 2.96Å; T147-G178 WeakPolarHBondContact CA-O 3.33Å; T147-G178 PolarHBondContact OG1-O 2.97Å; T147-G178 VanDerWaalsContact OG1-O 3.05Å; K148-G178 PolarHBondContact N-O 3.34Å; K148-G178 PolarHBondContact O-N 3.39Å; K148-G178 VanDerWaalsContact O-N 3.07Å
179T98.1Very high94.6Very high9 Ų954.4 Ų54.46%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-142.6144-173.9-550000112.3V87 D88 M93 V145 I146 T147 V181V87-T179 WeakPolarHBondContact CA-O 3.39Å; D88-T179 PolarHBondContact N-O 2.94Å; D88-T179 PolarHBondContact O-N 3.22Å; D88-T179 VanDerWaalsContact OD2-CB 3.3Å; D88-T179 WeakPolarHBondContact OD2-CB 3.41Å; M93-T179 HydrophobicContact CE-CG2 4.31Å; V145-T179 HydrophobicContact CG1-CG2 3.36Å; I146-T179 CarbonylContact O-C 3.46Å; I146-T179 WeakPolarHBondContact O-CA 3.37Å; I146-T179 WeakPolarHBondContact O-CG2 3.36Å; T147-T179 PolarHBondContact OG1-OG1 3.34Å; T179-V181 HydrophobicContact CG2-CG2 4.09Å
180K97.9Very high94.6Very high48 Ų4855 Ų5521%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-114114.1170.6-177.4173.9-172.3175.80108.4T85 L86 V87 V145 I146 E173 I175 I182T85-K180 HydrophobicContact CG2-CD 4.09Å; T85-K180 HydrophobicContact CG2-CG 3.53Å; L86-K180 CarbonylContact O-C 3.5Å; L86-K180 WeakPolarHBondContact O-CA 3.49Å; V87-K180 HydrophobicContact CG2-CG 4.17Å; V145-K180 WeakPolarHBondContact CA-O 3.5Å; I146-K180 HydrophobicContact CB-CB 4.35Å; I146-K180 PolarHBondContact N-O 3.18Å; I146-K180 PolarHBondContact O-N 3.1Å; E173-K180 IonicContact OE2-NZ 3.74Å; E173-K180 PolarHBondContact OE2-NZ 2.9Å; E173-K180 VanDerWaalsContact OE2-NZ 3.15Å; I175-K180 HydrophobicContact CD1-CB 3.94Å; K180-I182 HydrophobicContact CD-CD1 4.45Å; K180-I182 HydrophobicContact CD-CG1 4.49Å; K180-I182 HydrophobicContact CG-CD1 4.45Å; K180-I182 HydrophobicContact CG-CG1 4.02Å
181V98.3Very high94.7Very high11 Ų1157.2 Ų57.27%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-101112.9175.6-176.70000108.4L43 T85 L86 V143 V145 T179 L183L43-V181 HydrophobicContact CD2-CG1 4.3Å; T85-V181 CarbonylContact C-O 3.51Å; T85-V181 WeakPolarHBondContact CA-O 3.41Å; L86-V181 HydrophobicContact CB-CB 4.38Å; L86-V181 PolarHBondContact N-O 2.98Å; L86-V181 PolarHBondContact O-N 2.89Å; V143-V181 HydrophobicContact CG1-CG1 4.01Å; V145-V181 HydrophobicContact CG2-CG1 4.43Å; V145-V181 HydrophobicContact CG2-CG2 4.41Å; T179-V181 HydrophobicContact CG2-CG2 4.09Å; V181-L183 HydrophobicContact CG1-CD2 3.87Å; V181-L183 HydrophobicContact CG1-CG 4.43Å
182I98.1Very high95.1Very high22 Ų2249.2 Ų49.211%0.11327%0.271CS..EExtended strand (participates in β ladder)trans-103.8115.9-179.8-51171.7000108.1T83 T85 V143 V144 I146 K180 Y184T83-I182 HydrophobicContact CG2-CG2 4.27Å; T85-I182 HydrophobicContact CG2-CG1 4.38Å; V143-I182 WeakPolarHBondContact CA-O 3.43Å; V144-I182 HydrophobicContact CB-CB 4.24Å; V144-I182 PolarHBondContact N-O 3.23Å; V144-I182 PolarHBondContact O-N 3.18Å; I146-I182 HydrophobicContact CD1-CD1 4Å; K180-I182 HydrophobicContact CD-CD1 4.45Å; K180-I182 HydrophobicContact CD-CG1 4.49Å; K180-I182 HydrophobicContact CG-CD1 4.45Å; K180-I182 HydrophobicContact CG-CG1 4.02Å; I182-Y184 HydrophobicContact CG2-CD2 4.31Å; I182-Y184 HydrophobicContact CG2-CE2 3.8Å
183L98.4Very high95.6Very high1 Ų148.1 Ų48.11%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-100.1114.4178.7-54.5177.8000108.9F39 L43 T83 L84 A136 A140 V143 V181 L185F39-L183 HydrophobicContact CD2-CD1 3.81Å; F39-L183 HydrophobicContact CE2-CD1 3.54Å; L43-L183 HydrophobicContact CD1-CD1 3.75Å; L43-L183 HydrophobicContact CD1-CD2 4.25Å; L43-L183 HydrophobicContact CD1-CG 4.45Å; T83-L183 CarbonylContact C-O 3.5Å; T83-L183 WeakPolarHBondContact CA-O 3.23Å; T83-L183 WeakPolarHBondContact CB-O 3.32Å; L84-L183 HydrophobicContact CB-CB 4.36Å; L84-L183 HydrophobicContact CB-CD1 4.46Å; L84-L183 HydrophobicContact CD2-CD1 4.44Å; L84-L183 PolarHBondContact N-O 3.39Å; L84-L183 WeakPolarHBondContact O-CB 2.92Å; L84-L183 PolarHBondContact O-N 2.89Å; A136-L183 HydrophobicContact CB-CD2 3.84Å; A140-L183 HydrophobicContact CB-CB 4.16Å; A140-L183 HydrophobicContact CB-CD2 4.36Å; V143-L183 HydrophobicContact CG1-CD2 4.08Å; V143-L183 HydrophobicContact CG2-CD2 3.86Å; V181-L183 HydrophobicContact CG1-CD2 3.87Å; V181-L183 HydrophobicContact CG1-CG 4.43Å; L183-L185 HydrophobicContact CB-CD2 4.08Å; L183-L185 PolarHBondContact O-N 2.93Å
184Y98.1Very high95.8Very high89 Ų8946.4 Ų46.435%0.34925%0.247SC..EExtended strand (participates in β ladder)trans-84.1100.7168.1-67.5-99000107.4T83 A140 E141 K142 V144 I182T83-Y184 HydrophobicContact CG2-CD1 3.59Å; T83-Y184 HydrophobicContact CG2-CE1 3.74Å; T83-Y184 HydrophobicContact CG2-CG 4.02Å; A140-Y184 CarbonylContact C-O 3.59Å; A140-Y184 WeakPolarHBondContact CA-O 3.32Å; A140-Y184 WeakPolarHBondContact CB-O 3.48Å; E141-Y184 PolarHBondContact N-O 3.41Å; K142-Y184 HydrophobicContact CB-CD2 4.2Å; K142-Y184 HydrophobicContact CB-CG 4.32Å; K142-Y184 HydrophobicContact CD-CD2 4.09Å; K142-Y184 HydrophobicContact CD-CE2 4.36Å; K142-Y184 HydrophobicContact CD-CG 4.43Å; K142-Y184 HydrophobicContact CG-CD2 4.06Å; K142-Y184 WeakPolarHBondContact O-CB 3.49Å; K142-Y184 PolarHBondContact O-N 2.83Å; V144-Y184 HydrophobicContact CB-CE2 4.43Å; V144-Y184 HydrophobicContact CG2-CD2 4.46Å; V144-Y184 HydrophobicContact CG2-CE2 3.75Å; I182-Y184 HydrophobicContact CG2-CD2 4.31Å; I182-Y184 HydrophobicContact CG2-CE2 3.8Å
185L97.6Very high95.9Very high6 Ų644.1 Ų44.13%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-70.3145.2-172.3-60.8-179.4000110.8R82 L84 V139 L183 L193R82-L185 PolarHBondContact O-N 3.27Å; L84-L185 HydrophobicContact CB-CD1 4.27Å; L84-L185 HydrophobicContact CB-CG 4.48Å; V139-L185 HydrophobicContact CB-CD2 4.34Å; V139-L185 HydrophobicContact CG2-CD2 3.97Å; L183-L185 HydrophobicContact CB-CD2 4.08Å; L183-L185 PolarHBondContact O-N 2.93Å; L185-L193 HydrophobicContact CD1-CD1 4.1Å; L185-L193 HydrophobicContact CD1-CD2 3.6Å; L185-L193 HydrophobicContact CD1-CG 3.63Å
186K96.6Very high96Very high51 Ų5150.1 Ų50.122%0.22225%0.246CC..  trans-59.9151.6168.7-67.3167.1-174.6171.20109.9Y137 L138 V139 A140 E141 D188 Q189Y137-K186 PolarHBondContact O-NZ 3.4Å; L138-K186 PolarHBondContact O-NZ 3.12Å; V139-K186 WeakPolarHBondContact O-CG 3.47Å; V139-K186 PolarHBondContact O-N 2.95Å; A140-K186 WeakPolarHBondContact O-CE 3.38Å; E141-K186 HydrophobicContact CG-CB 4.13Å; E141-K186 HydrophobicContact CG-CG 3.38Å; K186-D188 WeakPolarHBondContact CB-OD1 3.33Å; K186-D188 PolarHBondContact O-N 2.82Å; K186-D188 VanDerWaalsContact O-N 3.15Å; K186-Q189 HydrophobicContact CB-CB 4.3Å; K186-Q189 HydrophobicContact CB-CG 3.84Å; K186-Q189 HydrophobicContact CD-CG 4.37Å; K186-Q189 PolarHBondContact O-N 3.46Å
187E94.5Very high96.2Very high142 Ų14248.9 Ų48.966%0.66423%0.226SC*.G310 helixtrans-56.8-33.3-179.1-63.8-170.4159.900113Q189E187-Q189 VanDerWaalsContact C-N 3.34Å; E187-Q189 PolarHBondContact O-N 3.5Å
188D95.6Very high96.2Very high103 Ų10348.3 Ų48.355%0.55122%0.224SC*.G310 helixtrans-86.54.2179.973-41.4000114.2K36 K186K36-D188 IonicContact NZ-OD2 3.46Å; K186-D188 WeakPolarHBondContact CB-OD1 3.33Å; K186-D188 PolarHBondContact O-N 2.82Å; K186-D188 VanDerWaalsContact O-N 3.15Å
189Q96.3Very high96Very high10 Ų1050.8 Ų50.85%0.04723%0.234CC..G310 helixtrans-118.620.7-175.3-55.9-63-56.200112.6V139 K186 E187 E191 Y192V139-Q189 HydrophobicContact CB-CB 4.19Å; V139-Q189 HydrophobicContact CB-CG 4.22Å; V139-Q189 HydrophobicContact CG1-CG 4.47Å; K186-Q189 HydrophobicContact CB-CB 4.3Å; K186-Q189 HydrophobicContact CB-CG 3.84Å; K186-Q189 HydrophobicContact CD-CG 4.37Å; K186-Q189 PolarHBondContact O-N 3.46Å; E187-Q189 VanDerWaalsContact C-N 3.34Å; E187-Q189 PolarHBondContact O-N 3.5Å; Q189-E191 PolarHBondContact O-N 3.25Å; Q189-Y192 HydrophobicContact CB-CD2 4.31Å; Q189-Y192 PolarHBondContact O-N 3.44Å
190T94.6Very high95.8Very high67 Ų6754.2 Ų54.241%0.41125%0.25SS..G310 helixtrans-64.8-16177.849.20000113.6Y192 L193T190-Y192 PolarHBondContact O-N 2.88Å; T190-Y192 VanDerWaalsContact O-N 3.12Å; T190-L193 HydrophobicContact CG2-CD1 4.41Å; T190-L193 WeakPolarHBondContact O-CB 3.5Å; T190-L193 PolarHBondContact O-N 2.98Å
191E96.3Very high95.6Very high76 Ų7652 Ų5236%0.35524%0.24SC..G310 helixtrans-54.5-29.917364.1167.4-174.100112.9Q189 L193 E194 R197Q189-E191 PolarHBondContact O-N 3.25Å; E191-L193 PolarHBondContact O-N 2.86Å; E191-E194 WeakPolarHBondContact O-CB 3.14Å; E191-E194 PolarHBondContact O-N 3.22Å; E191-E194 VanDerWaalsContact O-N 3.16Å; E191-R197 WeakPolarHBondContact O-CB 3.07Å; E191-R197 WeakPolarHBondContact O-CG 3.25Å; E191-R197 IonicContact OE1-NE 3.22Å; E191-R197 IonicContact OE2-NE 3.38Å
192Y96.4Very high95.4Very high3 Ų351.5 Ų51.51%0.01224%0.238CC..G310 helixtrans-78.50.5179.4-63.9-71.6000113.9E37 F39 V139 Q189 T190 R197 V198 V201E37-Y192 HydrophobicContact CB-CE1 4.2Å; F39-Y192 AromaticContact CE1-CD1 3.54Å; F39-Y192 HydrophobicContact CE1-CD1 3.54Å; F39-Y192 HydrophobicContact CE1-CD2 4.02Å; F39-Y192 AromaticContact CE1-CE1 3.72Å; F39-Y192 HydrophobicContact CE1-CE1 3.72Å; F39-Y192 HydrophobicContact CE1-CE2 4.2Å; F39-Y192 AromaticContact CE1-CG 3.72Å; F39-Y192 HydrophobicContact CE1-CG 3.72Å; F39-Y192 AromaticContact CZ-CD1 3.93Å; F39-Y192 HydrophobicContact CZ-CD1 3.93Å; F39-Y192 HydrophobicContact CZ-CD2 4.37Å; F39-Y192 AromaticContact CZ-CG 3.85Å; F39-Y192 HydrophobicContact CZ-CG 3.85Å; V139-Y192 HydrophobicContact CB-CD2 4.47Å; V139-Y192 HydrophobicContact CG1-CD2 4.08Å; V139-Y192 HydrophobicContact CG1-CE2 3.75Å; Q189-Y192 HydrophobicContact CB-CD2 4.31Å; Q189-Y192 PolarHBondContact O-N 3.44Å; T190-Y192 PolarHBondContact O-N 2.88Å; T190-Y192 VanDerWaalsContact O-N 3.12Å; Y192-R197 HydrophobicContact CD1-CG 3.85Å; Y192-R197 HydrophobicContact CE1-CG 4.03Å; Y192-R197 PolarHBondContact OH-NH2 3.47Å; Y192-V198 WeakPolarHBondContact O-CG2 3.42Å; Y192-V201 HydrophobicContact CE1-CG2 4.28Å
193L95.1Very high95Very high22 Ų2255.5 Ų55.512%0.11525%0.254CS..G310 helixtrans-92.8-12.1169.3-57.5169.8000111.5P77 T83 L84 L185 T190 E191P77-L193 HydrophobicContact CB-CD2 4.18Å; T83-L193 VanDerWaalsContact O-CD2 3.24Å; T83-L193 WeakPolarHBondContact O-CD2 3.25Å; L84-L193 HydrophobicContact CB-CD2 4.29Å; L185-L193 HydrophobicContact CD1-CD1 4.1Å; L185-L193 HydrophobicContact CD1-CD2 3.6Å; L185-L193 HydrophobicContact CD1-CG 3.63Å; T190-L193 HydrophobicContact CG2-CD1 4.41Å; T190-L193 WeakPolarHBondContact O-CB 3.5Å; T190-L193 PolarHBondContact O-N 2.98Å; E191-L193 PolarHBondContact O-N 2.86Å
194E94.1Very high94.6Very high104 Ų10459.3 Ų59.349%0.48627%0.271SS..SBendtrans-77.2132.1176.5-60.8-176.6-179.500111.4E191 R196 R197 V198E191-E194 WeakPolarHBondContact O-CB 3.14Å; E191-E194 PolarHBondContact O-N 3.22Å; E191-E194 VanDerWaalsContact O-N 3.16Å; E194-R196 VanDerWaalsContact C-N 3.26Å; E194-R196 PolarHBondContact O-N 2.92Å; E194-R197 HydrophobicContact CB-CB 4.32Å; E194-R197 PolarHBondContact O-N 3.43Å; E194-R197 VanDerWaalsContact O-N 3.12Å; E194-V198 PolarHBondContact O-N 3.21Å; E194-V198 VanDerWaalsContact O-N 3.12Å
195E92.7Very high94.2Very high70 Ų7055.4 Ų55.433%0.32726%0.256SS..Hα-helixtrans-48.7-48.5175.5171.7-179171.200112R197 V198 K199 L215 L217E195-R197 VanDerWaalsContact C-N 3.33Å; E195-R197 PolarHBondContact O-N 3.37Å; E195-V198 PolarHBondContact O-N 3.08Å; E195-K199 HydrophobicContact CG-CD 3.92Å; E195-K199 HydrophobicContact CG-CG 4.44Å; E195-K199 WeakPolarHBondContact O-CB 3.33Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 3.05Å; E195-K199 VanDerWaalsContact OE1-CE 3.32Å; E195-K199 WeakPolarHBondContact OE1-CE 3.2Å; E195-K199 IonicContact OE1-NZ 2.9Å; E195-K199 PolarHBondContact OE1-NZ 2.87Å; E195-L215 HydrophobicContact CG-CD2 4.43Å; E195-L217 HydrophobicContact CB-CD1 4.14Å; E195-L217 HydrophobicContact CB-CD2 3.99Å; E195-L217 HydrophobicContact CG-CD1 3.6Å; E195-L217 HydrophobicContact CG-CD2 4.34Å; E195-L217 WeakPolarHBondContact OE2-CD1 3.47Å
196R94.1Very high94Very high156 Ų15655.2 Ų55.259%0.58925%0.254SS*.Hα-helixtrans-58.9-44.7-176.9-170.2-170.668.174.12.1111.4E194 E200E194-R196 VanDerWaalsContact C-N 3.26Å; E194-R196 PolarHBondContact O-N 2.92Å; R196-E200 IonicContact NH1-OE2 3.85Å; R196-E200 PolarHBondContact NH1-OE2 3.25Å; R196-E200 WeakPolarHBondContact O-CB 3.32Å; R196-E200 PolarHBondContact O-N 2.94Å
197R95.1Very high93.5Very high24 Ų2453.2 Ų53.29%0.09125%0.246CC..Hα-helixtrans-69.5-44.6-177-173.863178.5140.38.6111.1E37 E191 Y192 E194 E195 K199 E200 V201E37-R197 IonicContact OE2-CZ 2.78Å; E37-R197 IonicContact OE2-NH1 3.2Å; E37-R197 PolarHBondContact OE2-NH1 3.05Å; E37-R197 IonicContact OE2-NH2 4Å; E37-R197 PolarHBondContact OE2-NH2 3.32Å; E191-R197 WeakPolarHBondContact O-CB 3.07Å; E191-R197 WeakPolarHBondContact O-CG 3.25Å; E191-R197 IonicContact OE1-NE 3.22Å; E191-R197 IonicContact OE2-NE 3.38Å; Y192-R197 HydrophobicContact CD1-CG 3.85Å; Y192-R197 HydrophobicContact CE1-CG 4.03Å; Y192-R197 PolarHBondContact OH-NH2 3.47Å; E194-R197 HydrophobicContact CB-CB 4.32Å; E194-R197 PolarHBondContact O-N 3.43Å; E194-R197 VanDerWaalsContact O-N 3.12Å; E195-R197 VanDerWaalsContact C-N 3.33Å; E195-R197 PolarHBondContact O-N 3.37Å; R197-K199 PolarHBondContact O-N 3.47Å; R197-E200 IonicContact NH1-OE1 3.85Å; R197-E200 PolarHBondContact NH1-OE1 3.5Å; R197-E200 IonicContact NH1-OE2 3.93Å; R197-E200 WeakPolarHBondContact O-CB 3.36Å; R197-E200 PolarHBondContact O-N 3.29Å; R197-V201 WeakPolarHBondContact O-CG2 3.45Å; R197-V201 PolarHBondContact O-N 3.29Å
198V94.7Very high93.4Very high0 Ų046.5 Ų46.50%022%0.215CC..Hα-helixtrans-60.6-46.9177.1178.30000110.7I75 Y192 E194 E195 E200 V201 V202 L215I75-V198 HydrophobicContact CD1-CG1 4.23Å; I75-V198 HydrophobicContact CG2-CG1 4.18Å; Y192-V198 WeakPolarHBondContact O-CG2 3.42Å; E194-V198 PolarHBondContact O-N 3.21Å; E194-V198 VanDerWaalsContact O-N 3.12Å; E195-V198 PolarHBondContact O-N 3.08Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 2.93Å; V198-V201 PolarHBondContact O-N 3.18Å; V198-V202 HydrophobicContact CG1-CG2 4.21Å; V198-V202 WeakPolarHBondContact O-CG2 3.38Å; V198-V202 PolarHBondContact O-N 3.4Å; V198-L215 HydrophobicContact CB-CD1 4.5Å; V198-L215 HydrophobicContact CB-CD2 4.4Å; V198-L215 HydrophobicContact CG1-CD1 3.86Å; V198-L215 HydrophobicContact CG1-CD2 4.22Å
199K93.9Very high93.2Very high52 Ų5241.9 Ų41.923%0.22619%0.19CC..Hα-helixtrans-58.9-43.1176.5-74.6-176.7173.7-178.30112.5E195 R197 K203 L215 E282 L284E195-K199 HydrophobicContact CG-CD 3.92Å; E195-K199 HydrophobicContact CG-CG 4.44Å; E195-K199 WeakPolarHBondContact O-CB 3.33Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 3.05Å; E195-K199 VanDerWaalsContact OE1-CE 3.32Å; E195-K199 WeakPolarHBondContact OE1-CE 3.2Å; E195-K199 IonicContact OE1-NZ 2.9Å; E195-K199 PolarHBondContact OE1-NZ 2.87Å; R197-K199 PolarHBondContact O-N 3.47Å; K199-K203 WeakPolarHBondContact O-CB 3.45Å; K199-K203 PolarHBondContact O-N 3.05Å; K199-L215 HydrophobicContact CG-CD2 4.16Å; K199-E282 VanDerWaalsContact CE-OE1 3.31Å; K199-E282 WeakPolarHBondContact CE-OE1 3.43Å; K199-E282 VanDerWaalsContact CE-OE2 3.27Å; K199-E282 WeakPolarHBondContact CE-OE2 3.36Å; K199-E282 IonicContact NZ-OE1 3Å; K199-E282 PolarHBondContact NZ-OE1 3.39Å; K199-E282 IonicContact NZ-OE2 2.76Å; K199-E282 PolarHBondContact NZ-OE2 2.91Å; K199-L284 HydrophobicContact CD-CD2 4.49Å; K199-L284 HydrophobicContact CG-CD2 3.88Å
200E93.3Very high92.9Very high82 Ų8244.2 Ų44.238%0.38322%0.216SC..Hα-helixtrans-59.6-47.9177.7-171.8-172.7145.900111.6R196 R197 V198 K204R196-E200 IonicContact NH1-OE2 3.85Å; R196-E200 PolarHBondContact NH1-OE2 3.25Å; R196-E200 WeakPolarHBondContact O-CB 3.32Å; R196-E200 PolarHBondContact O-N 2.94Å; R197-E200 IonicContact NH1-OE1 3.85Å; R197-E200 PolarHBondContact NH1-OE1 3.5Å; R197-E200 IonicContact NH1-OE2 3.93Å; R197-E200 WeakPolarHBondContact O-CB 3.36Å; R197-E200 PolarHBondContact O-N 3.29Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 2.93Å; E200-K204 VanDerWaalsContact O-CB 3.28Å; E200-K204 WeakPolarHBondContact O-CB 3.3Å; E200-K204 PolarHBondContact O-N 3.09Å
201V94.4Very high92.8Very high1 Ų142 Ų421%0.00620%0.2CC..Hα-helixtrans-68-45.8-178.4177.90000111.4E37 L40 Y192 R197 V198 K204 H205E37-V201 HydrophobicContact CB-CG1 4.31Å; E37-V201 HydrophobicContact CB-CG2 3.93Å; E37-V201 WeakPolarHBondContact O-CG1 3.41Å; L40-V201 HydrophobicContact CB-CG1 3.86Å; L40-V201 HydrophobicContact CD1-CB 4.22Å; L40-V201 HydrophobicContact CD1-CG1 3.94Å; L40-V201 HydrophobicContact CG-CG1 4.46Å; Y192-V201 HydrophobicContact CE1-CG2 4.28Å; R197-V201 WeakPolarHBondContact O-CG2 3.45Å; R197-V201 PolarHBondContact O-N 3.29Å; V198-V201 PolarHBondContact O-N 3.18Å; V201-K204 PolarHBondContact O-N 3.27Å; V201-H205 PolarHBondContact O-CD2 2.63Å; V201-H205 PolarHBondContact O-N 3.38Å
202V93.6Very high92.8Very high1 Ų140.9 Ų40.91%0.00620%0.2CC..Hα-helixtrans-65.2-44.8178.5175.20000111.1I44 I75 V198 K204 H205 S206 Q207 I213 L284I44-V202 HydrophobicContact CD1-CG2 3.97Å; I75-V202 HydrophobicContact CD1-CG2 3.82Å; V198-V202 HydrophobicContact CG1-CG2 4.21Å; V198-V202 WeakPolarHBondContact O-CG2 3.38Å; V198-V202 PolarHBondContact O-N 3.4Å; V202-K204 PolarHBondContact O-N 2.7Å; V202-H205 PolarHBondContact O-N 2.97Å; V202-S206 CarbonylContact O-C 3.37Å; V202-S206 WeakPolarHBondContact O-CA 3.26Å; V202-S206 PolarHBondContact O-N 2.82Å; V202-Q207 PolarHBondContact O-N 2.93Å; V202-I213 HydrophobicContact CG1-CD1 4.25Å; V202-I213 HydrophobicContact CG1-CG2 4.21Å; V202-L284 HydrophobicContact CB-CD1 3.86Å; V202-L284 HydrophobicContact CG1-CB 3.87Å; V202-L284 HydrophobicContact CG1-CD1 3.74Å; V202-L284 HydrophobicContact CG1-CG 4.49Å; V202-L284 HydrophobicContact CG2-CD1 3.88Å
203K90.3Very high92.8Very high105 Ų10540.7 Ų40.746%0.45720%0.199SC..Hα-helixtrans-62-31.8176.8-175.3174.1-179.7177.70112K199 N312K199-K203 WeakPolarHBondContact O-CB 3.45Å; K199-K203 PolarHBondContact O-N 3.05Å; K203-N312 PolarHBondContact NZ-OD1 2.98Å
204K89.3Confident92.9Very high82 Ų8240.4 Ų40.436%0.35720%0.198SC..Hα-helixtrans-76.4-45.4178.4-176.6175.4176-173.70112.5E37 E200 V201 V202 F363E37-K204 WeakPolarHBondContact OE1-CE 3.45Å; E37-K204 IonicContact OE1-NZ 2.65Å; E37-K204 PolarHBondContact OE1-NZ 2.68Å; E200-K204 VanDerWaalsContact O-CB 3.28Å; E200-K204 WeakPolarHBondContact O-CB 3.3Å; E200-K204 PolarHBondContact O-N 3.09Å; V201-K204 PolarHBondContact O-N 3.27Å; V202-K204 PolarHBondContact O-N 2.7Å; K204-F363 HydrophobicContact CG-CD1 4.32Å; K204-F363 HydrophobicContact CG-CE1 4.4Å; K204-F363 VanDerWaalsContact O-CB 3.25Å; K204-F363 WeakPolarHBondContact O-CB 3.36Å; K204-F363 WeakPolarHBondContact O-CG 3.32Å
205H90.5Very high92.9Very high7 Ų735.5 Ų35.53%0.03218%0.175CC..Hα-helixtrans-107-26.1-164.7-67.1-68.9000115E37 R41 V201 V202 F363E37-H205 IonicContact OE1-CE1 3.2Å; E37-H205 IonicContact OE1-NE2 2.83Å; E37-H205 PolarHBondContact OE1-NE2 2.77Å; R41-H205 HydrophobicContact CB-CB 3.8Å; R41-H205 HydrophobicContact CG-CB 3.88Å; V201-H205 PolarHBondContact O-CD2 2.63Å; V201-H205 PolarHBondContact O-N 3.38Å; V202-H205 PolarHBondContact O-N 2.97Å; H205-F363 AromaticContact ND1-CD1 3.74Å
206S91.8Very high92.9Very high1 Ų134.2 Ų34.21%0.00717%0.168CC..SBendtrans-129.917.2-167.6-57.50000113.2V202 F208 I209V202-S206 CarbonylContact O-C 3.37Å; V202-S206 WeakPolarHBondContact O-CA 3.26Å; V202-S206 PolarHBondContact O-N 2.82Å; S206-F208 PolarHBondContact O-N 2.66Å; S206-F208 VanDerWaalsContact O-N 3.11Å; S206-I209 PolarHBondContact O-N 2.72Å
207Q88.1Confident92.5Very high10 Ų1027.6 Ų27.65%0.04714%0.144CC..THydrogen-bonded Turntrans-55.4-31.2-179.7-174.6174.913.600113.2V202 N285 T287V202-Q207 PolarHBondContact O-N 2.93Å; Q207-N285 WeakPolarHBondContact O-CB 3.24Å; Q207-T287 PolarHBondContact NE2-OG1 2.66Å
208F91.4Very high91.8Very high1 Ų132.7 Ų32.70%0.00417%0.169CC..THydrogen-bonded Turntrans-114.415.9-170.1-62.4-56.9000113.9S206 T287 P289 W291 F306 Y358 R361S206-F208 PolarHBondContact O-N 2.66Å; S206-F208 VanDerWaalsContact O-N 3.11Å; F208-T287 HydrophobicContact CE1-CG2 3.92Å; F208-P289 HydrophobicContact CB-CG 3.97Å; F208-P289 HydrophobicContact CD1-CB 4.47Å; F208-P289 HydrophobicContact CD1-CG 4.07Å; F208-P289 HydrophobicContact CG-CG 4.43Å; F208-W291 HydrophobicContact CB-CH2 4.08Å; F208-W291 HydrophobicContact CB-CZ2 4.37Å; F208-W291 AromaticContact CD1-CH2 3.74Å; F208-W291 HydrophobicContact CD1-CH2 3.74Å; F208-W291 HydrophobicContact CD1-CZ3 4.21Å; F208-W291 AromaticContact CD2-CH2 3.54Å; F208-W291 HydrophobicContact CD2-CH2 3.54Å; F208-W291 HydrophobicContact CD2-CZ2 4.39Å; F208-W291 HydrophobicContact CD2-CZ3 4.41Å; F208-W291 AromaticContact CE1-CH2 3.99Å; F208-W291 HydrophobicContact CE1-CH2 3.99Å; F208-W291 HydrophobicContact CE1-CZ3 4.07Å; F208-W291 AromaticContact CE2-CH2 3.77Å; F208-W291 HydrophobicContact CE2-CH2 3.77Å; F208-W291 HydrophobicContact CE2-CZ3 4.24Å; F208-W291 AromaticContact CG-CH2 3.5Å; F208-W291 HydrophobicContact CG-CH2 3.5Å; F208-W291 VanDerWaalsContact CG-CH2 3.5Å; F208-W291 HydrophobicContact CG-CZ2 4.26Å; F208-W291 HydrophobicContact CG-CZ3 4.37Å; F208-W291 AromaticContact CZ-CH2 3.99Å; F208-W291 HydrophobicContact CZ-CH2 3.99Å; F208-W291 HydrophobicContact CZ-CZ3 4.07Å; F208-F306 AromaticContact CE1-CE2 3.67Å; F208-F306 HydrophobicContact CE1-CE2 3.67Å; F208-F306 HydrophobicContact CE1-CZ 4.33Å; F208-F306 AromaticContact CZ-CE2 3.83Å; F208-F306 HydrophobicContact CZ-CE2 3.83Å; F208-F306 HydrophobicContact CZ-CZ 4.05Å; F208-Y358 HydrophobicContact CD2-CD1 4.07Å; F208-Y358 AromaticContact CD2-CE1 3.52Å; F208-Y358 HydrophobicContact CD2-CE1 3.52Å; F208-Y358 HydrophobicContact CD2-CE2 4.42Å; F208-Y358 AromaticContact CD2-CZ 3.72Å; F208-Y358 AromaticContact CE2-CE1 3.94Å; F208-Y358 HydrophobicContact CE2-CE1 3.94Å; F208-Y358 HydrophobicContact CE2-CE2 4.2Å; F208-Y358 AromaticContact CE2-CZ 3.62Å; F208-Y358 WeakPolarHBondContact CE2-OH 3.07Å; F208-R361 HydrophobicContact CB-CB 4.03Å; F208-R361 WeakPolarHBondContact O-CB 3.27Å; F208-R361 WeakPolarHBondContact O-CD 3.41Å
209I91.5Very high91.2Very high6 Ų635.3 Ų35.33%0.03118%0.18CC..  trans-62.5136168.4-63.4-62.3000108.9I44 I73 I126 S206 Y211 I213 N285 V362I44-I209 HydrophobicContact CG2-CG1 4.09Å; I73-I209 HydrophobicContact CD1-CG2 4.42Å; I126-I209 HydrophobicContact CD1-CD1 4.38Å; S206-I209 PolarHBondContact O-N 2.72Å; I209-Y211 PolarHBondContact O-N 3.08Å; I209-I213 HydrophobicContact CB-CD1 4.09Å; I209-I213 HydrophobicContact CG1-CD1 4.37Å; I209-I213 HydrophobicContact CG2-CD1 4.42Å; I209-N285 PolarHBondContact O-ND2 3.46Å; I209-V362 HydrophobicContact CD1-CG2 4.15Å
210G89.8Confident90.5Very high58 Ų5838.2 Ų38.260%0.59820%0.195SC*.SBendtrans-73.6-9.8-170.800000115.2
211Y93.4Very high89.8Confident21 Ų2140 Ų408%0.08220%0.198CC..SBendtrans-108.6145.1-178.7-61.2-77.9000110.8L51 D52 R55 L71 I209 I213 N285L51-Y211 HydrophobicContact CB-CD1 4.07Å; L51-Y211 HydrophobicContact CB-CD2 3.78Å; L51-Y211 HydrophobicContact CB-CE1 3.87Å; L51-Y211 HydrophobicContact CB-CE2 3.57Å; L51-Y211 HydrophobicContact CB-CG 4.04Å; L51-Y211 HydrophobicContact CD1-CD1 4.01Å; L51-Y211 HydrophobicContact CD1-CD2 3.78Å; L51-Y211 HydrophobicContact CD1-CE2 4.44Å; L51-Y211 HydrophobicContact CD1-CG 3.54Å; L51-Y211 HydrophobicContact CG-CD2 4.44Å; L51-Y211 HydrophobicContact CG-CG 4.39Å; D52-Y211 WeakPolarHBondContact CA-OH 3.32Å; D52-Y211 WeakPolarHBondContact OD1-CE2 3.45Å; D52-Y211 PolarHBondContact OD1-OH 3.37Å; R55-Y211 VanDerWaalsContact CD-OH 3.3Å; R55-Y211 WeakPolarHBondContact CD-OH 3.49Å; L71-Y211 HydrophobicContact CB-CD1 3.83Å; L71-Y211 HydrophobicContact CB-CE1 3.91Å; L71-Y211 HydrophobicContact CD1-CE1 3.97Å; I209-Y211 PolarHBondContact O-N 3.08Å; Y211-I213 PolarHBondContact O-N 3.18Å; Y211-N285 PolarHBondContact O-ND2 3.31Å
212P95.4Very high88.9Confident52 Ų5245.6 Ų45.634%0.33822%0.224SC..  trans-58.5130.9176.9-23.433.9000111.8L71 K72 I73L71-P212 WeakPolarHBondContact O-CD 3.28Å; K72-P212 HydrophobicContact CB-CB 4.48Å; I73-P212 PolarHBondContact N-O 3.34Å
213I96.6Very high87.9Confident0 Ų049.4 Ų49.40%024%0.24CC..EExtended strand (participates in β ladder)trans-110.1114.3173.7-57.1170.6000107.3I44 I73 I75 V202 I209 Y211 E283 L284 N285I44-I213 HydrophobicContact CG2-CD1 3.78Å; I73-I213 HydrophobicContact CB-CG1 4.34Å; I73-I213 HydrophobicContact CD1-CG1 4.42Å; I73-I213 CarbonylContact O-C 3.55Å; I73-I213 VanDerWaalsContact O-CA 3.27Å; I73-I213 WeakPolarHBondContact O-CA 3.1Å; I75-I213 HydrophobicContact CD1-CG2 3.82Å; I75-I213 HydrophobicContact CG1-CG2 4.32Å; V202-I213 HydrophobicContact CG1-CD1 4.25Å; V202-I213 HydrophobicContact CG1-CG2 4.21Å; I209-I213 HydrophobicContact CB-CD1 4.09Å; I209-I213 HydrophobicContact CG1-CD1 4.37Å; I209-I213 HydrophobicContact CG2-CD1 4.42Å; Y211-I213 PolarHBondContact O-N 3.18Å; I213-E283 WeakPolarHBondContact O-CA 3.32Å; I213-L284 HydrophobicContact CG2-CD1 4.4Å; I213-L284 PolarHBondContact O-N 3.28Å; I213-N285 HydrophobicContact CD1-CB 4.45Å; I213-N285 PolarHBondContact N-OD1 2.93Å
214T96.4Very high86.7Confident16 Ų1650 Ų5010%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-108.3146.2179.972.90000111.5I73 D74 I75 Y216 E282I73-T214 PolarHBondContact O-N 3.13Å; D74-T214 VanDerWaalsContact CG-OG1 3.24Å; D74-T214 PolarHBondContact OD1-OG1 3.19Å; I75-T214 PolarHBondContact N-O 2.83Å; T214-Y216 VanDerWaalsContact OG1-CE2 3.31Å; T214-Y216 WeakPolarHBondContact OG1-CE2 3.08Å; T214-E282 CarbonylContact C-O 3.58Å; T214-E282 WeakPolarHBondContact CA-O 3.44Å
215L95.6Very high85.5Confident0 Ų046.2 Ų46.20%023%0.228CC..EExtended strand (participates in β ladder)trans-114.9125.1173.7-17861.6000109.3I75 P77 E195 V198 K199 L217 D280 E282 L284I75-L215 HydrophobicContact CB-CD1 3.93Å; I75-L215 HydrophobicContact CG2-CD1 3.79Å; P77-L215 HydrophobicContact CG-CD1 3.89Å; E195-L215 HydrophobicContact CG-CD2 4.43Å; V198-L215 HydrophobicContact CB-CD1 4.5Å; V198-L215 HydrophobicContact CB-CD2 4.4Å; V198-L215 HydrophobicContact CG1-CD1 3.86Å; V198-L215 HydrophobicContact CG1-CD2 4.22Å; K199-L215 HydrophobicContact CG-CD2 4.16Å; L215-L217 HydrophobicContact CD1-CD2 4.5Å; L215-L217 HydrophobicContact CD2-CD1 4.04Å; L215-L217 HydrophobicContact CD2-CD2 4.06Å; L215-L217 HydrophobicContact CD2-CG 4.16Å; L215-L217 HydrophobicContact CG-CD1 4.3Å; L215-L217 HydrophobicContact CG-CD2 4.02Å; L215-L217 HydrophobicContact CG-CG 3.96Å; L215-D280 VanDerWaalsContact O-O 3.08Å; L215-E282 PolarHBondContact N-O 3.24Å; L215-E282 PolarHBondContact O-N 3.19Å; L215-L284 HydrophobicContact CB-CD1 3.96Å; L215-L284 HydrophobicContact CB-CD2 4.05Å; L215-L284 HydrophobicContact CB-CG 4.06Å; L215-L284 HydrophobicContact CD2-CD1 4.47Å; L215-L284 HydrophobicContact CD2-CD2 4.38Å
216Y92.5Very high83.9Confident43 Ų4347 Ų4717%0.16923%0.234CC..EExtended strand (participates in β ladder)trans-92.4120.3178.1-73.5-120.3000108.8D74 I75 V76 P77 T214 I279 Q281D74-Y216 HydrophobicContact CB-CD2 4.27Å; D74-Y216 HydrophobicContact CB-CE2 3.56Å; D74-Y216 VanDerWaalsContact CG-CE2 3.49Å; D74-Y216 WeakPolarHBondContact OD2-CE2 3.45Å; D74-Y216 PolarHBondContact OD2-OH 2.93Å; I75-Y216 PolarHBondContact O-N 3.46Å; V76-Y216 HydrophobicContact CG2-CD1 4.4Å; V76-Y216 HydrophobicContact CG2-CD2 3.86Å; V76-Y216 HydrophobicContact CG2-CE2 4.43Å; V76-Y216 HydrophobicContact CG2-CG 3.87Å; P77-Y216 WeakPolarHBondContact CD-O 3.45Å; T214-Y216 VanDerWaalsContact OG1-CE2 3.31Å; T214-Y216 WeakPolarHBondContact OG1-CE2 3.08Å; Y216-I279 HydrophobicContact CD1-CG2 3.49Å; Y216-I279 VanDerWaalsContact CD1-CG2 3.49Å; Y216-I279 HydrophobicContact CE1-CG2 4.3Å; Y216-I279 HydrophobicContact CG-CG2 4.15Å; Y216-Q281 HydrophobicContact CD1-CG 4.14Å; Y216-Q281 HydrophobicContact CE1-CG 3.91Å; Y216-Q281 HydrophobicContact CE2-CG 4.37Å; Y216-Q281 HydrophobicContact CG-CG 4.46Å; Y216-Q281 PolarHBondContact OH-NE2 3Å
217L85.6Confident82.4Confident18 Ų1849.3 Ų49.39%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-127.4128.8179.1-62.2168.8000110E195 L215 K219 I279 D280E195-L217 HydrophobicContact CB-CD1 4.14Å; E195-L217 HydrophobicContact CB-CD2 3.99Å; E195-L217 HydrophobicContact CG-CD1 3.6Å; E195-L217 HydrophobicContact CG-CD2 4.34Å; E195-L217 WeakPolarHBondContact OE2-CD1 3.47Å; L215-L217 HydrophobicContact CD1-CD2 4.5Å; L215-L217 HydrophobicContact CD2-CD1 4.04Å; L215-L217 HydrophobicContact CD2-CD2 4.06Å; L215-L217 HydrophobicContact CD2-CG 4.16Å; L215-L217 HydrophobicContact CG-CD1 4.3Å; L215-L217 HydrophobicContact CG-CD2 4.02Å; L215-L217 HydrophobicContact CG-CG 3.96Å; L217-K219 HydrophobicContact CB-CG 4.38Å; L217-K219 PolarHBondContact O-N 2.89Å; L217-I279 WeakPolarHBondContact O-CA 3.47Å; L217-D280 PolarHBondContact N-O 3.03Å; L217-D280 PolarHBondContact O-N 3.49Å
218E80.3Confident81Confident131 Ų13153.9 Ų53.961%0.61227%0.272SS*.EExtended strand (participates in β ladder)trans-71.2108.8166.6-68.4-174.3-176.700108.5R80R80-E218 IonicContact NH2-OE1 2.66Å; R80-E218 IonicContact NH2-OE2 3.15Å; R80-E218 PolarHBondContact NH2-OE2 2.83Å
219K81.7Confident79.3Confident55 Ų5558.6 Ų58.624%0.23929%0.294CS..EExtended strand (participates in β ladder)trans-112.6153.6174.3-69.9-171-178169.60110.5L217 K277 Y278 D280L217-K219 HydrophobicContact CB-CG 4.38Å; L217-K219 PolarHBondContact O-N 2.89Å; K219-K277 CarbonylContact O-C 3.13Å; K219-K277 WeakPolarHBondContact O-CA 3.38Å; K219-Y278 HydrophobicContact CB-CD1 4.27Å; K219-Y278 HydrophobicContact CB-CE1 3.64Å; K219-Y278 HydrophobicContact CB-CE2 4.3Å; K219-Y278 PolarHBondContact N-O 3.07Å; K219-Y278 WeakPolarHBondContact O-CD1 3.29Å; K219-Y278 PolarHBondContact O-N 2.86Å; K219-D280 HydrophobicContact CD-CB 3.8Å; K219-D280 WeakPolarHBondContact CD-OD2 3.29Å; K219-D280 WeakPolarHBondContact CE-OD2 3.38Å; K219-D280 HydrophobicContact CG-CB 4.18Å; K219-D280 IonicContact NZ-OD2 3.3Å; K219-D280 PolarHBondContact NZ-OD2 3.18Å
220E79.4Confident77.4Confident113 Ų11358.4 Ų58.453%0.52829%0.293SS..EExtended strand (participates in β ladder)trans-105.7131.5174.6-67.6-174.917500109.8K275 E276 K277E220-K275 IonicContact OE2-NZ 3.45Å; E220-E276 WeakPolarHBondContact CA-O 3.14Å; E220-K277 HydrophobicContact CG-CG 4Å; E220-K277 WeakPolarHBondContact OE1-CE 3.43Å
221R78.7Confident75.8Confident119 Ų11961.9 Ų61.945%0.44929%0.294SS..EExtended strand (participates in β ladder)trans-121.7146.6169.366.4-177-175.7-168.6-3.1111.1K223 K275 E276 Y278R221-K223 PolarHBondContact O-N 2.97Å; R221-K275 WeakPolarHBondContact O-CA 3.21Å; R221-E276 HydrophobicContact CG-CB 4.28Å; R221-E276 IonicContact CZ-OE2 3.77Å; R221-E276 PolarHBondContact N-O 3.16Å; R221-E276 IonicContact NE-OE2 3.57Å; R221-E276 PolarHBondContact NE-OE2 2.84Å; R221-E276 IonicContact NH2-OE1 3.55Å; R221-E276 PolarHBondContact NH2-OE1 2.97Å; R221-E276 IonicContact NH2-OE2 3.38Å; R221-E276 PolarHBondContact NH2-OE2 2.94Å; R221-E276 PolarHBondContact O-N 2.65Å; R221-Y278 HydrophobicContact CB-CD1 4.07Å; R221-Y278 HydrophobicContact CB-CE1 3.76Å; R221-Y278 HydrophobicContact CG-CD1 3.74Å; R221-Y278 HydrophobicContact CG-CE1 3.95Å
222E76.1Confident73.9Confident118 Ų11867.2 Ų67.255%0.55132%0.319SS*.EExtended strand (participates in β ladder)trans-79.7113.8169.2-64.8-172.917200109K273 I274E222-K273 WeakPolarHBondContact OE2-CD 3.45Å; E222-K273 IonicContact OE2-NZ 2.68Å; E222-K273 PolarHBondContact OE2-NZ 2.94Å; E222-I274 WeakPolarHBondContact CA-O 3.28Å
223K70.9Confident72Confident82 Ų8267.4 Ų67.436%0.35732%0.316SS..EExtended strand (participates in β ladder)trans-98.7124.7171.2-167.6-177.6179.3-175.90108.3R221 I225 K273 I274R221-K223 PolarHBondContact O-N 2.97Å; K223-I225 HydrophobicContact CD-CG2 3.95Å; K223-I225 HydrophobicContact CG-CG2 4.05Å; K223-I225 PolarHBondContact O-N 3.42Å; K223-K273 WeakPolarHBondContact O-CA 3.41Å; K223-I274 PolarHBondContact N-O 2.75Å; K223-I274 PolarHBondContact O-N 2.89Å
224E65.8Low70Confident116 Ų11673 Ų7354%0.54234%0.34SS..EExtended strand (participates in β ladder)trans-81.9104.7170-77.1-170.9-161.300108.6T271 K273E224-T271 HydrophobicContact CB-CG2 4.35Å; E224-T271 PolarHBondContact OE2-OG1 3.36Å; E224-T271 VanDerWaalsContact OE2-OG1 3.05Å; E224-K273 HydrophobicContact CG-CG 3.84Å; E224-K273 WeakPolarHBondContact OE1-CE 3.39Å
225I63.9Low67.7Low3 Ų375.1 Ų75.12%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-103.6149.7174.848.8171000109.7K223 E229 A230 T271 K272 I274K223-I225 HydrophobicContact CD-CG2 3.95Å; K223-I225 HydrophobicContact CG-CG2 4.05Å; K223-I225 PolarHBondContact O-N 3.42Å; I225-E229 HydrophobicContact CB-CB 4.13Å; I225-A230 HydrophobicContact CD1-CB 3.72Å; I225-A230 HydrophobicContact CG1-CB 4.14Å; I225-T271 WeakPolarHBondContact O-CA 3.33Å; I225-K272 WeakPolarHBondContact CG1-O 3.28Å; I225-K272 PolarHBondContact N-O 3.44Å; I225-K272 PolarHBondContact O-N 2.97Å; I225-I274 HydrophobicContact CD1-CB 3.87Å; I225-I274 HydrophobicContact CD1-CD1 3.61Å; I225-I274 HydrophobicContact CD1-CG1 4.35Å; I225-I274 HydrophobicContact CD1-CG2 4Å; I225-I274 HydrophobicContact CG1-CB 4.27Å
226S57.9Low65.5Low23 Ų2381.3 Ų81.316%0.16138%0.384CS..EExtended strand (participates in β ladder)trans-73153.6177.295.50000110.3D228 E229 A230S226-D228 PolarHBondContact O-N 2.78Å; S226-E229 PolarHBondContact O-N 3.13Å; S226-A230 PolarHBondContact O-N 3.07Å; S226-A230 VanDerWaalsContact O-N 3.09Å
227D58.6Low63.6Low51 Ų5184.4 Ų84.427%0.27340%0.399SS..Hα-helixtrans-50.2-33.1-178.4-87.2-36.5000113.3A230 E231 K272D227-A230 PolarHBondContact O-N 3.34Å; D227-E231 PolarHBondContact O-N 2.98Å; D227-K272 VanDerWaalsContact OD1-CD 3.27Å; D227-K272 WeakPolarHBondContact OD1-CD 3.29Å; D227-K272 WeakPolarHBondContact OD1-CE 3.48Å; D227-K272 IonicContact OD1-NZ 3.41Å; D227-K272 PolarHBondContact OD1-NZ 3.44Å
228D59.2Low61.7Low105 Ų10589.8 Ų89.856%0.56142%0.423SS*.Hα-helixtrans-66.3-38.2178.4-49-43.2000112.6S226 K269S226-D228 PolarHBondContact O-N 2.78Å; D228-K269 IonicContact OD2-NZ 2.68Å; D228-K269 PolarHBondContact OD2-NZ 3.37Å
229E56.4Low60Low100 Ų10090.7 Ų90.747%0.46743%0.428SS..Hα-helixtrans-81.4-25.8178.7-69.1175.6169.600111.8I225 S226 E233I225-E229 HydrophobicContact CB-CB 4.13Å; S226-E229 PolarHBondContact O-N 3.13Å; E229-E233 PolarHBondContact O-N 3.44Å; E229-E233 VanDerWaalsContact O-N 3.16Å
230A51.4Low58.1Low2 Ų295.7 Ų95.72%0.01745%0.452CS..Hα-helixtrans-76-24.717800000113.1I225 S226 D227 K234 K272I225-A230 HydrophobicContact CD1-CB 3.72Å; I225-A230 HydrophobicContact CG1-CB 4.14Å; S226-A230 PolarHBondContact O-N 3.07Å; S226-A230 VanDerWaalsContact O-N 3.09Å; D227-A230 PolarHBondContact O-N 3.34Å; A230-K234 WeakPolarHBondContact O-CB 3.1Å; A230-K234 WeakPolarHBondContact O-CG 3.28Å; A230-K234 PolarHBondContact O-N 3.1Å; A230-K272 HydrophobicContact CB-CB 4.21Å; A230-K272 HydrophobicContact CB-CD 3.81Å
231E55.4Low56.3Low132 Ų13297.4 Ų97.462%0.61746%0.46SS*.Hα-helixtrans-77.2-36.5171.6-74.3-174.9179.200111.5D227 K234 S235D227-E231 PolarHBondContact O-N 2.98Å; E231-K234 PolarHBondContact O-N 3.07Å; E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 3.49Å; E231-S235 PolarHBondContact O-OG 2.81Å
232E55.2Low54.2Low132 Ų13296.3 Ų96.362%0.61747%0.47SS*.Hα-helixtrans-63.3-50.8173.2-75.7-178.1165.600112.1K234 S235 E236E232-K234 PolarHBondContact O-N 2.99Å; E232-S235 PolarHBondContact O-N 3.42Å; E232-S235 VanDerWaalsContact O-N 3.1Å; E232-S235 PolarHBondContact O-OG 3.41Å; E232-E236 PolarHBondContact O-N 2.85Å
233E55Low52.6Low56 Ų5695 Ų9526%0.26248%0.48SS..Hα-helixtrans-64.6-26.9177.6-88.7-165.5-161.100113.3E229 K237 I274E229-E233 PolarHBondContact O-N 3.44Å; E229-E233 VanDerWaalsContact O-N 3.16Å; E233-K237 WeakPolarHBondContact O-CG 3.39Å; E233-K237 PolarHBondContact O-N 2.83Å; E233-I274 HydrophobicContact CB-CD1 4.36Å; E233-I274 VanDerWaalsContact OE2-CD1 3.29Å; E233-I274 WeakPolarHBondContact OE2-CD1 3.25Å
234K53.1Low51Low119 Ų11995 Ų9552%0.51749%0.49SS..Hα-helixtrans-73.9-39.9172.7-85.1-174.6173.2-162.70111.6A230 E231 E232 E236 K237 E238A230-K234 WeakPolarHBondContact O-CB 3.1Å; A230-K234 WeakPolarHBondContact O-CG 3.28Å; A230-K234 PolarHBondContact O-N 3.1Å; E231-K234 PolarHBondContact O-N 3.07Å; E232-K234 PolarHBondContact O-N 2.99Å; K234-E236 VanDerWaalsContact C-N 3.33Å; K234-K237 PolarHBondContact O-N 3.24Å; K234-E238 WeakPolarHBondContact O-CB 3.09Å; K234-E238 WeakPolarHBondContact O-CG 3.28Å; K234-E238 PolarHBondContact O-N 2.91Å
235S48.8Very low49.5Very low59 Ų5999.3 Ų99.341%0.41351%0.507SS..Hα-helixtrans-64.4-3717670.20000112.3E231 E232 E238 E239E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 3.49Å; E231-S235 PolarHBondContact O-OG 2.81Å; E232-S235 PolarHBondContact O-N 3.42Å; E232-S235 VanDerWaalsContact O-N 3.1Å; E232-S235 PolarHBondContact O-OG 3.41Å; S235-E238 PolarHBondContact O-N 3.35Å; S235-E239 PolarHBondContact O-N 3.29Å
236E50.7Low48.2Very low130 Ų130106.7 Ų106.761%0.60755%0.547SS*.Hα-helixtrans-67.7-37.6174.4-71.3-175.1163.100112.3E232 K234 E239 E240E232-E236 PolarHBondContact O-N 2.85Å; K234-E236 VanDerWaalsContact C-N 3.33Å; E236-E239 PolarHBondContact O-N 3.44Å; E236-E240 PolarHBondContact O-N 2.57Å; E236-E240 VanDerWaalsContact O-N 3.1Å
237K51.2Low47Very low109 Ų109114.8 Ų114.847%0.47458%0.582SS.*Hα-helixtrans-71.4-35.7174.7-79174.3-179.6157.90113.1E233 K234 E240 E241E233-K237 WeakPolarHBondContact O-CG 3.39Å; E233-K237 PolarHBondContact O-N 2.83Å; K234-K237 PolarHBondContact O-N 3.24Å; K237-E240 PolarHBondContact O-N 3.23Å; K237-E241 PolarHBondContact O-N 3.42Å
238E45.8Very low45.7Very low131 Ų131120.2 Ų120.261%0.61261%0.606SS**Hα-helixtrans-70.4-33174.2-76.1177.6-173.900111.6K234 S235 E241 S242K234-E238 WeakPolarHBondContact O-CB 3.09Å; K234-E238 WeakPolarHBondContact O-CG 3.28Å; K234-E238 PolarHBondContact O-N 2.91Å; S235-E238 PolarHBondContact O-N 3.35Å; E238-E241 PolarHBondContact O-N 2.89Å; E238-S242 VanDerWaalsContact O-CB 3.27Å; E238-S242 WeakPolarHBondContact O-CB 3.29Å; E238-S242 PolarHBondContact O-N 2.83Å; E238-S242 PolarHBondContact O-OG 3.2Å
239E44.3Very low44.4Very low150 Ų150123.9 Ų123.970%0.70162%0.617SS**Hα-helixtrans-66.2-38.7170.3-80.8-170.3165.100112.2S235 E236 S242S235-E239 PolarHBondContact O-N 3.29Å; E236-E239 PolarHBondContact O-N 3.44Å; E239-S242 PolarHBondContact O-OG 3.42Å
240E43.3Very low43.4Very low160 Ų160124.6 Ų124.675%0.74863%0.63SS**Hα-helixtrans-69.5-36.8173.5-79.9-168.9155.400113.4E236 K237E236-E240 PolarHBondContact O-N 2.57Å; E236-E240 VanDerWaalsContact O-N 3.1Å; K237-E240 PolarHBondContact O-N 3.23Å
241E40.1Very low42.5Very low148 Ų148133.9 Ų133.969%0.69267%0.673SS**Hα-helixtrans-76.7-26.5177-78.2-170.916100113.2K237 E238 A243 S244K237-E241 PolarHBondContact O-N 3.42Å; E238-E241 PolarHBondContact O-N 2.89Å; E241-A243 PolarHBondContact O-N 3.36Å; E241-S244 PolarHBondContact O-N 3.06Å; E241-S244 VanDerWaalsContact O-N 3.1Å; E241-S244 PolarHBondContact O-OG 2.78Å
242S36.3Very low41.4Very low96 Ų96135.3 Ų135.367%0.67168%0.683SS**THydrogen-bonded Turntrans-68-10.8176.376.20000114.5E238 E239 S244E238-S242 VanDerWaalsContact O-CB 3.27Å; E238-S242 WeakPolarHBondContact O-CB 3.29Å; E238-S242 PolarHBondContact O-N 2.83Å; E238-S242 PolarHBondContact O-OG 3.2Å; E239-S242 PolarHBondContact O-OG 3.42Å; S242-S244 PolarHBondContact O-N 3.05Å
243A41.8Very low40.2Very low91 Ų91137.2 Ų137.275%0.75269%0.692SS**THydrogen-bonded Turntrans-78.7-2.9171.400000113.5E241E241-A243 PolarHBondContact O-N 3.36Å
244S37.9Very low38.8Very low83 Ų83142.4 Ų142.458%0.5872%0.721SS**SBendtrans-139101.4178.259.10000114.7E241 S242E241-S244 PolarHBondContact O-N 3.06Å; E241-S244 VanDerWaalsContact O-N 3.1Å; E241-S244 PolarHBondContact O-OG 2.78Å; S242-S244 PolarHBondContact O-N 3.05Å
245K32.6Very low37.8Very low206 Ų206142.8 Ų142.890%0.89673%0.734SS**  trans89.3119153-64.5-179.5175.1177.70119.9
246D36.4Very low36.8Very low158 Ų158143 Ų14385%0.84575%0.745SS**  trans-51.3134.7153.1-69.1-63.5000113
247E33Very low35.6Very low192 Ų192142.1 Ų142.190%0.89775%0.753SS**  168.3118.3124.6-91-177.6-179.700113.2
248E32.3Very low34.5Very low166 Ų166144.1 Ų144.178%0.77677%0.769SS**  trans19.8131.8150.8-81.7-169.1178.800125.8
249K32.1Very low33.7Very low182 Ų182145.5 Ų145.579%0.79178%0.776SS**  trans95.8153.3141.6-75.9174.9-174.2172.80120.8
250P35.8Very low32.9Very low115 Ų115146.3 Ų146.375%0.74778%0.779SS**  -129.8160.5-55.234.3-15.6000112.9
251E32Very low32.1Very low197 Ų197146.5 Ų146.592%0.92178%0.78SS**  trans-67.7144.5174.2-77175.5140.700113.3
252I31.8Very low31.7Very low161 Ų161148.3 Ų148.383%0.82679%0.788SS**  trans-115.6112.2163.8-62.3172.5000107.1
253E29.5Very low31.2Very low172 Ų172147.3 Ų147.380%0.80479%0.794SS**  trans-64.9138.7163-75.9179.3138.700110
254D27.2Very low31Very low165 Ų165150.6 Ų150.688%0.88280%0.799SS**  trans-137126.3149.9-131.5-14.2000110.1
255V30.5Very low30.6Very low128 Ų128156.1 Ų156.178%0.77681%0.812SS**  trans-110.5133.5-171.51760000108.5
256G28.8Very low30.6Very low62 Ų62149.5 Ų149.564%0.63980%0.803SS**  trans164.398.6164.100000110.9
257S25.8Very low30.6Very low112 Ų112152.6 Ų152.678%0.78381%0.809SS**  94.3100.87765.90000112.6
258D28.2Very low30.9Very low151 Ų151152.9 Ų152.981%0.80781%0.807SS**  trans61.8135.9130.8-68.9-12.7000124.8
259E27.5Very low31.5Very low161 Ų161151.5 Ų151.575%0.75280%0.798SS**  trans93.4114.1143.8-76.2171.4-165.800122
260E27.8Very low32.2Very low167 Ų167151 Ų15178%0.7880%0.796SS**  45.3141.3129-57.9-177.217800119.2
261E27.9Very low32.7Very low163 Ų163148.9 Ų148.976%0.76278%0.781SS**  cis-170.2160.820.1-129.2-177.7-177.500108.3
262E29.8Very low34.1Very low186 Ų186143.5 Ų143.587%0.86976%0.755SS**  trans45.1126.5157.6-60.8-156.8151.100123.8
263G26.1Very low35.6Very low76 Ų76141.8 Ų141.878%0.78474%0.742SS**  trans169.195.7158.700000115.3K265G263-K265 PolarHBondContact O-N 2.97Å
264D37.3Very low37.9Very low160 Ų160135 Ų13586%0.85671%0.71SS**  trans-45.7122.5170-178.722.3000113.9
265K30.2Very low40.1Very low198 Ų198134 Ų13486%0.86170%0.698SS**  trans-176.3110.5152.3-101.9160.4-169178.50111.1G263G263-K265 PolarHBondContact O-N 2.97Å
266G33.4Very low42.4Very low68 Ų68130.4 Ų130.470%0.70167%0.673SS**  trans15.2110.916500000119.4K268G266-K268 VanDerWaalsContact C-N 3.32Å; G266-K268 PolarHBondContact O-N 3.11Å
267K35.9Very low44.8Very low222 Ų222133.5 Ų133.597%0.96567%0.669SS**  trans-58.188.7162.6-85.5-177.5173.8179.40110.7
268K39.5Very low47.4Very low199 Ų199131.8 Ų131.887%0.86565%0.646SS**  trans-78.2110.8149.1-92.6-177.3172.8-178.50106.3G266 K270G266-K268 VanDerWaalsContact C-N 3.32Å; G266-K268 PolarHBondContact O-N 3.11Å; K268-K270 PolarHBondContact O-N 3.06Å
269K44Very low50Low136 Ų136129.5 Ų129.559%0.59163%0.632SS**PPolyproline II helixtrans-47.1128166.7-81-170.2166.7-153.10107.8D228 T271D228-K269 IonicContact OD2-NZ 2.68Å; D228-K269 PolarHBondContact OD2-NZ 3.37Å; K269-T271 PolarHBondContact O-N 2.83Å
270K47.7Very low52.7Low171 Ų171124 Ų12474%0.74361%0.608SS**PPolyproline II helixtrans-63.5119.1169-79.6179.8177.5176.60106.5K268K268-K270 PolarHBondContact O-N 3.06Å
271T46.7Very low55.5Low72 Ų72121.3 Ų121.344%0.44260%0.595SS.*EExtended strand (participates in β ladder)trans-91.5129.1173.542.70000108.4E224 I225 K269E224-T271 HydrophobicContact CB-CG2 4.35Å; E224-T271 PolarHBondContact OE2-OG1 3.36Å; E224-T271 VanDerWaalsContact OE2-OG1 3.05Å; I225-T271 WeakPolarHBondContact O-CA 3.33Å; K269-T271 PolarHBondContact O-N 2.83Å
272K60.8Low58.5Low83 Ų83116 Ų11636%0.36157%0.571SS.*EExtended strand (participates in β ladder)trans-92.9137.1170.1-78174180136.30107.8I225 D227 A230I225-K272 WeakPolarHBondContact CG1-O 3.28Å; I225-K272 PolarHBondContact N-O 3.44Å; I225-K272 PolarHBondContact O-N 2.97Å; D227-K272 VanDerWaalsContact OD1-CD 3.27Å; D227-K272 WeakPolarHBondContact OD1-CD 3.29Å; D227-K272 WeakPolarHBondContact OD1-CE 3.48Å; D227-K272 IonicContact OD1-NZ 3.41Å; D227-K272 PolarHBondContact OD1-NZ 3.44Å; A230-K272 HydrophobicContact CB-CB 4.21Å; A230-K272 HydrophobicContact CB-CD 3.81Å
273K64.1Low61.4Low126 Ų126111 Ų11155%0.54855%0.547SS..EExtended strand (participates in β ladder)trans-91.1115.3176.2-70.2176.8161.3-1480108.9E222 K223 E224E222-K273 WeakPolarHBondContact OE2-CD 3.45Å; E222-K273 IonicContact OE2-NZ 2.68Å; E222-K273 PolarHBondContact OE2-NZ 2.94Å; K223-K273 WeakPolarHBondContact O-CA 3.41Å; E224-K273 HydrophobicContact CG-CG 3.84Å; E224-K273 WeakPolarHBondContact OE1-CE 3.39Å
274I76.9Confident64.5Low29 Ų29109 Ų10915%0.14952%0.518CS..EExtended strand (participates in β ladder)trans-106.5142.6172.9-129.5151.7000109.2E222 K223 I225 E233 E276E222-I274 WeakPolarHBondContact CA-O 3.28Å; K223-I274 PolarHBondContact N-O 2.75Å; K223-I274 PolarHBondContact O-N 2.89Å; I225-I274 HydrophobicContact CD1-CB 3.87Å; I225-I274 HydrophobicContact CD1-CD1 3.61Å; I225-I274 HydrophobicContact CD1-CG1 4.35Å; I225-I274 HydrophobicContact CD1-CG2 4Å; I225-I274 HydrophobicContact CG1-CB 4.27Å; E233-I274 HydrophobicContact CB-CD1 4.36Å; E233-I274 VanDerWaalsContact OE2-CD1 3.29Å; E233-I274 WeakPolarHBondContact OE2-CD1 3.25Å; I274-E276 PolarHBondContact O-N 2.98Å
275K73.6Confident67Low143 Ų143101.9 Ų101.962%0.62248%0.48SS*.EExtended strand (participates in β ladder)trans-85109.1174.5-68.5-173.8174.8-168.90108.8E220 R221E220-K275 IonicContact OE2-NZ 3.45Å; R221-K275 WeakPolarHBondContact O-CA 3.21Å
276E78Confident69.7Low53 Ų5399 Ų9925%0.24847%0.468CS..EExtended strand (participates in β ladder)trans-96.7125.5176.1-175.4-173.4-161.400109E220 R221 I274E220-E276 WeakPolarHBondContact CA-O 3.14Å; R221-E276 HydrophobicContact CG-CB 4.28Å; R221-E276 IonicContact CZ-OE2 3.77Å; R221-E276 PolarHBondContact N-O 3.16Å; R221-E276 IonicContact NE-OE2 3.57Å; R221-E276 PolarHBondContact NE-OE2 2.84Å; R221-E276 IonicContact NH2-OE1 3.55Å; R221-E276 PolarHBondContact NH2-OE1 2.97Å; R221-E276 IonicContact NH2-OE2 3.38Å; R221-E276 PolarHBondContact NH2-OE2 2.94Å; R221-E276 PolarHBondContact O-N 2.65Å; I274-E276 PolarHBondContact O-N 2.98Å
277K78.7Confident72Confident128 Ų12897.2 Ų97.256%0.55744%0.443SS*.EExtended strand (participates in β ladder)trans-79.8125.8169.8-71.4-177.1180-174.50108.8K219 E220K219-K277 CarbonylContact O-C 3.13Å; K219-K277 WeakPolarHBondContact O-CA 3.38Å; E220-K277 HydrophobicContact CG-CG 4Å; E220-K277 WeakPolarHBondContact OE1-CE 3.43Å
278Y80.8Confident74.5Confident76 Ų7694.3 Ų94.330%0.29843%0.431SS..EExtended strand (participates in β ladder)trans-129.6152.7174.374.1-80.1000110.2K219 R221 D280K219-Y278 HydrophobicContact CB-CD1 4.27Å; K219-Y278 HydrophobicContact CB-CE1 3.64Å; K219-Y278 HydrophobicContact CB-CE2 4.3Å; K219-Y278 PolarHBondContact N-O 3.07Å; K219-Y278 WeakPolarHBondContact O-CD1 3.29Å; K219-Y278 PolarHBondContact O-N 2.86Å; R221-Y278 HydrophobicContact CB-CD1 4.07Å; R221-Y278 HydrophobicContact CB-CE1 3.76Å; R221-Y278 HydrophobicContact CG-CD1 3.74Å; R221-Y278 HydrophobicContact CG-CE1 3.95Å; Y278-D280 HydrophobicContact CD2-CB 4.41Å; Y278-D280 HydrophobicContact CE2-CB 3.79Å
279I83.4Confident77Confident103 Ų10385.8 Ų85.853%0.52840%0.396SS..EExtended strand (participates in β ladder)trans-88.3112.2174.5-62.6177.1000107.4Y216 L217 Q281Y216-I279 HydrophobicContact CD1-CG2 3.49Å; Y216-I279 VanDerWaalsContact CD1-CG2 3.49Å; Y216-I279 HydrophobicContact CE1-CG2 4.3Å; Y216-I279 HydrophobicContact CG-CG2 4.15Å; L217-I279 WeakPolarHBondContact O-CA 3.47Å; I279-Q281 HydrophobicContact CG2-CG 4.27Å
280D84.6Confident79.4Confident44 Ų4479.9 Ų79.924%0.23537%0.37CS..EExtended strand (participates in β ladder)trans-83.3122.8170-166.512.4000109L215 L217 K219 Y278L215-D280 VanDerWaalsContact O-O 3.08Å; L217-D280 PolarHBondContact N-O 3.03Å; L217-D280 PolarHBondContact O-N 3.49Å; K219-D280 HydrophobicContact CD-CB 3.8Å; K219-D280 WeakPolarHBondContact CD-OD2 3.29Å; K219-D280 WeakPolarHBondContact CE-OD2 3.38Å; K219-D280 HydrophobicContact CG-CB 4.18Å; K219-D280 IonicContact NZ-OD2 3.3Å; K219-D280 PolarHBondContact NZ-OD2 3.18Å; Y278-D280 HydrophobicContact CD2-CB 4.41Å; Y278-D280 HydrophobicContact CE2-CB 3.79Å
281Q87.2Confident81.6Confident111 Ų11171.9 Ų71.952%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-103.794.3177-68.2-176.63.800108.7Y216 I279Y216-Q281 HydrophobicContact CD1-CG 4.14Å; Y216-Q281 HydrophobicContact CE1-CG 3.91Å; Y216-Q281 HydrophobicContact CE2-CG 4.37Å; Y216-Q281 HydrophobicContact CG-CG 4.46Å; Y216-Q281 PolarHBondContact OH-NE2 3Å; I279-Q281 HydrophobicContact CG2-CG 4.27Å
282E90.9Very high83.8Confident53 Ų5371.3 Ų71.325%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-96.5121-177.7-172.3178.315700111.2K199 T214 L215 L284K199-E282 VanDerWaalsContact CE-OE1 3.31Å; K199-E282 WeakPolarHBondContact CE-OE1 3.43Å; K199-E282 VanDerWaalsContact CE-OE2 3.27Å; K199-E282 WeakPolarHBondContact CE-OE2 3.36Å; K199-E282 IonicContact NZ-OE1 3Å; K199-E282 PolarHBondContact NZ-OE1 3.39Å; K199-E282 IonicContact NZ-OE2 2.76Å; K199-E282 PolarHBondContact NZ-OE2 2.91Å; T214-E282 CarbonylContact C-O 3.58Å; T214-E282 WeakPolarHBondContact CA-O 3.44Å; L215-E282 PolarHBondContact N-O 3.24Å; L215-E282 PolarHBondContact O-N 3.19Å; E282-L284 HydrophobicContact CG-CD2 4.4Å; E282-L284 PolarHBondContact O-N 2.79Å
283E90.9Very high85.4Confident79 Ų7971.5 Ų71.537%0.36933%0.331SS..EExtended strand (participates in β ladder)trans-73.2119.8170.1-173.6-178.1170.500110.7I213 K286I213-E283 WeakPolarHBondContact O-CA 3.32Å; E283-K286 HydrophobicContact CB-CG 4.28Å; E283-K286 HydrophobicContact CG-CG 4.11Å; E283-K286 VanDerWaalsContact O-CE 3.25Å; E283-K286 WeakPolarHBondContact O-CE 3.41Å
284L90.4Very high86.8Confident34 Ų3469.3 Ų69.318%0.17833%0.325CS..SBendtrans-86.9-29.3-172.9-62-172.4000113.6K199 V202 I213 L215 E282K199-L284 HydrophobicContact CD-CD2 4.49Å; K199-L284 HydrophobicContact CG-CD2 3.88Å; V202-L284 HydrophobicContact CB-CD1 3.86Å; V202-L284 HydrophobicContact CG1-CB 3.87Å; V202-L284 HydrophobicContact CG1-CD1 3.74Å; V202-L284 HydrophobicContact CG1-CG 4.49Å; V202-L284 HydrophobicContact CG2-CD1 3.88Å; I213-L284 HydrophobicContact CG2-CD1 4.4Å; I213-L284 PolarHBondContact O-N 3.28Å; L215-L284 HydrophobicContact CB-CD1 3.96Å; L215-L284 HydrophobicContact CB-CD2 4.05Å; L215-L284 HydrophobicContact CB-CG 4.06Å; L215-L284 HydrophobicContact CD2-CD1 4.47Å; L215-L284 HydrophobicContact CD2-CD2 4.38Å; E282-L284 HydrophobicContact CG-CD2 4.4Å; E282-L284 PolarHBondContact O-N 2.79Å
285N89.8Confident87.6Confident11 Ų1170.8 Ų70.86%0.05934%0.336CS..  trans-11146.2-171.766.2-39000113.5Q207 I209 Y211 I213 T287Q207-N285 WeakPolarHBondContact O-CB 3.24Å; I209-N285 PolarHBondContact O-ND2 3.46Å; Y211-N285 PolarHBondContact O-ND2 3.31Å; I213-N285 HydrophobicContact CD1-CB 4.45Å; I213-N285 PolarHBondContact N-OD1 2.93Å; N285-T287 PolarHBondContact O-N 3.43Å
286K86.8Confident88.6Confident139 Ų13970.9 Ų70.960%0.60434%0.344SS*.  trans-60.1-26.2178.1-61.3178.5-177.7174.10113.6E283 K288E283-K286 HydrophobicContact CB-CG 4.28Å; E283-K286 HydrophobicContact CG-CG 4.11Å; E283-K286 VanDerWaalsContact O-CE 3.25Å; E283-K286 WeakPolarHBondContact O-CE 3.41Å; K286-K288 PolarHBondContact O-N 2.81Å
287T82.2Confident89.4Confident29 Ų2973.5 Ų73.518%0.17836%0.36CS..SBendtrans-72.9106.7-180-43.10000110.5Q207 F208 N285 F306 S309Q207-T287 PolarHBondContact NE2-OG1 2.66Å; F208-T287 HydrophobicContact CE1-CG2 3.92Å; N285-T287 PolarHBondContact O-N 3.43Å; T287-F306 HydrophobicContact CG2-CD2 3.96Å; T287-F306 HydrophobicContact CG2-CE2 4.21Å; T287-S309 WeakPolarHBondContact CG2-OG 3.38Å; T287-S309 PolarHBondContact OG1-OG 3.46Å
288K87.8Confident90.2Very high162 Ų16268.2 Ų68.270%0.70434%0.337SS*.  trans-78.2145.7179.5-62.6-173.6-179.5179.70112K286 I290K286-K288 PolarHBondContact O-N 2.81Å; K288-I290 PolarHBondContact O-N 2.6Å
289P91.6Very high91Very high20 Ų2067.8 Ų67.813%0.1334%0.343CS..  trans-63.7120.4171.9-18.330.8000110.6F208 W291 T292F208-P289 HydrophobicContact CB-CG 3.97Å; F208-P289 HydrophobicContact CD1-CB 4.47Å; F208-P289 HydrophobicContact CD1-CG 4.07Å; F208-P289 HydrophobicContact CG-CG 4.43Å; P289-W291 HydrophobicContact CB-CD2 4.33Å; P289-W291 HydrophobicContact CB-CE3 4.39Å; P289-W291 HydrophobicContact CB-CH2 3.98Å; P289-W291 HydrophobicContact CB-CZ2 3.9Å; P289-W291 HydrophobicContact CB-CZ3 4.2Å; P289-T292 HydrophobicContact CB-CG2 3.89Å; P289-T292 PolarHBondContact O-OG1 2.87Å; P289-T292 VanDerWaalsContact O-OG1 3.14Å
290I94.1Very high91.5Very high12 Ų1267.7 Ų67.76%0.06234%0.34CS..SBendtrans-86.9-34-179.5-63-64.5000111.7K288 T292 R293 I298 Y303 F306 L334K288-I290 PolarHBondContact O-N 2.6Å; I290-T292 PolarHBondContact O-N 2.85Å; I290-T292 VanDerWaalsContact O-N 3.17Å; I290-R293 PolarHBondContact O-N 3.33Å; I290-I298 HydrophobicContact CG2-CD1 3.72Å; I290-I298 HydrophobicContact CG2-CG1 4.34Å; I290-I298 HydrophobicContact CG2-CG2 3.87Å; I290-I298 WeakPolarHBondContact O-CD1 3.32Å; I290-Y303 HydrophobicContact CG2-CD1 3.9Å; I290-Y303 HydrophobicContact CG2-CE1 3.47Å; I290-Y303 VanDerWaalsContact CG2-CE1 3.47Å; I290-F306 HydrophobicContact CB-CD2 4.26Å; I290-F306 HydrophobicContact CB-CG 4.38Å; I290-F306 HydrophobicContact CG1-CB 3.76Å; I290-F306 HydrophobicContact CG1-CD2 3.5Å; I290-F306 VanDerWaalsContact CG1-CD2 3.5Å; I290-F306 HydrophobicContact CG1-CE2 4.26Å; I290-F306 HydrophobicContact CG1-CG 3.67Å; I290-L334 HydrophobicContact CB-CD1 3.82Å; I290-L334 HydrophobicContact CG2-CD1 3.96Å
291W95Very high92Very high2 Ų272 Ų721%0.00836%0.359CS..THydrogen-bonded Turntrans-68.8-13.1-177.162.389000114.2F208 P289 R293 F306 R332 L334 R361 V382 D384F208-W291 HydrophobicContact CB-CH2 4.08Å; F208-W291 HydrophobicContact CB-CZ2 4.37Å; F208-W291 AromaticContact CD1-CH2 3.74Å; F208-W291 HydrophobicContact CD1-CH2 3.74Å; F208-W291 HydrophobicContact CD1-CZ3 4.21Å; F208-W291 AromaticContact CD2-CH2 3.54Å; F208-W291 HydrophobicContact CD2-CH2 3.54Å; F208-W291 HydrophobicContact CD2-CZ2 4.39Å; F208-W291 HydrophobicContact CD2-CZ3 4.41Å; F208-W291 AromaticContact CE1-CH2 3.99Å; F208-W291 HydrophobicContact CE1-CH2 3.99Å; F208-W291 HydrophobicContact CE1-CZ3 4.07Å; F208-W291 AromaticContact CE2-CH2 3.77Å; F208-W291 HydrophobicContact CE2-CH2 3.77Å; F208-W291 HydrophobicContact CE2-CZ3 4.24Å; F208-W291 AromaticContact CG-CH2 3.5Å; F208-W291 HydrophobicContact CG-CH2 3.5Å; F208-W291 VanDerWaalsContact CG-CH2 3.5Å; F208-W291 HydrophobicContact CG-CZ2 4.26Å; F208-W291 HydrophobicContact CG-CZ3 4.37Å; F208-W291 AromaticContact CZ-CH2 3.99Å; F208-W291 HydrophobicContact CZ-CH2 3.99Å; F208-W291 HydrophobicContact CZ-CZ3 4.07Å; P289-W291 HydrophobicContact CB-CD2 4.33Å; P289-W291 HydrophobicContact CB-CE3 4.39Å; P289-W291 HydrophobicContact CB-CH2 3.98Å; P289-W291 HydrophobicContact CB-CZ2 3.9Å; P289-W291 HydrophobicContact CB-CZ3 4.2Å; W291-R293 VanDerWaalsContact C-N 3.35Å; W291-F306 HydrophobicContact CE3-CE2 4.42Å; W291-F306 HydrophobicContact CE3-CZ 4.12Å; W291-F306 AromaticContact CZ3-CE2 3.84Å; W291-F306 HydrophobicContact CZ3-CE2 3.84Å; W291-F306 AromaticContact CZ3-CZ 3.65Å; W291-F306 HydrophobicContact CZ3-CZ 3.65Å; W291-R332 HydrophobicContact CB-CB 4.24Å; W291-R332 WeakPolarHBondContact O-CD 3.38Å; W291-R332 PolarHBondContact O-NH1 3.19Å; W291-L334 HydrophobicContact CB-CD1 4.12Å; W291-L334 HydrophobicContact CB-CG 4.02Å; W291-L334 HydrophobicContact CE3-CD1 4.15Å; W291-R361 HydrophobicContact CZ2-CG 4.39Å; W291-V382 HydrophobicContact CD2-CG1 4.32Å; W291-V382 HydrophobicContact CE3-CB 4.42Å; W291-V382 HydrophobicContact CE3-CG1 4Å; W291-V382 HydrophobicContact CH2-CG1 3.79Å; W291-V382 HydrophobicContact CZ2-CG1 4.12Å; W291-V382 HydrophobicContact CZ3-CB 4.27Å; W291-V382 HydrophobicContact CZ3-CG1 3.75Å; W291-V382 HydrophobicContact CZ3-CG2 4.4Å; W291-D384 HydrophobicContact CZ2-CB 4.1Å; W291-D384 PolarHBondContact NE1-OD2 3.46Å
292T92.1Very high92.3Very high61 Ų6169.3 Ų69.337%0.37435%0.346SS..THydrogen-bonded Turntrans-80.1-21.1177.158.30000112.2P289 I290 R332P289-T292 HydrophobicContact CB-CG2 3.89Å; P289-T292 PolarHBondContact O-OG1 2.87Å; P289-T292 VanDerWaalsContact O-OG1 3.14Å; I290-T292 PolarHBondContact O-N 2.85Å; I290-T292 VanDerWaalsContact O-N 3.17Å; T292-R332 PolarHBondContact O-NH1 2.72Å
293R93.9Very high92.6Very high86 Ų8667.6 Ų67.633%0.32534%0.337SS..SBendtrans-84.2160.5177.9-69167.157.2-176.7-1.7111.5I290 W291 D297 I298 E302I290-R293 PolarHBondContact O-N 3.33Å; W291-R293 VanDerWaalsContact C-N 3.35Å; R293-D297 PolarHBondContact NH2-O 3.03Å; R293-I298 HydrophobicContact CB-CD1 3.89Å; R293-I298 HydrophobicContact CB-CG1 4.04Å; R293-E302 IonicContact CZ-OE1 3.01Å; R293-E302 IonicContact NH1-OE1 3.21Å; R293-E302 PolarHBondContact NH1-OE1 3.35Å; R293-E302 IonicContact NH2-OE1 3.89Å; R293-E302 PolarHBondContact NH2-OE1 3.14Å; R293-E302 IonicContact NH2-OE2 2.69Å; R293-E302 PolarHBondContact NH2-OE2 3.18Å
294N93.6Very high92.8Very high80 Ų8063.8 Ų63.843%0.42832%0.32SS..  trans-65.3127.2173-177.83.4000110.1D296 D297 I298N294-D296 PolarHBondContact O-N 3.2Å; N294-D296 VanDerWaalsContact O-N 3.15Å; N294-D296 PolarHBondContact OD1-N 3.35Å; N294-D297 HydrophobicContact CB-CB 4.42Å; N294-D297 WeakPolarHBondContact CB-OD2 3.39Å; N294-D297 PolarHBondContact ND2-OD2 3.11Å; N294-D297 PolarHBondContact O-N 2.87Å; N294-I298 WeakPolarHBondContact O-CD1 3.14Å; N294-I298 WeakPolarHBondContact O-CG1 3.4Å
295P94.2Very high93Very high60 Ų6069 Ų6939%0.3934%0.343SS..G310 helixtrans-47.7-38.1176.2-25.928.4000115D297 I298 H322P295-D297 PolarHBondContact O-N 3.49Å; P295-I298 PolarHBondContact O-N 3.28Å; P295-H322 WeakPolarHBondContact CG-ND1 3.27Å
296D94.7Very high93.3Very high145 Ų14568.7 Ų68.778%0.77534%0.341SS*.G310 helixtrans-72-18.9-175.4-62.1-27.2000113.2N294N294-D296 PolarHBondContact O-N 3.2Å; N294-D296 VanDerWaalsContact O-N 3.15Å; N294-D296 PolarHBondContact OD1-N 3.35Å
297D95.4Very high93.7Very high109 Ų10962.2 Ų62.258%0.58331%0.313SS*.G310 helixtrans-99.711.8-178.9-60.5-44.8000112.4R293 N294 P295R293-D297 PolarHBondContact NH2-O 3.03Å; N294-D297 HydrophobicContact CB-CB 4.42Å; N294-D297 WeakPolarHBondContact CB-OD2 3.39Å; N294-D297 PolarHBondContact ND2-OD2 3.11Å; N294-D297 PolarHBondContact O-N 2.87Å; P295-D297 PolarHBondContact O-N 3.49Å
298I96.1Very high94.2Very high17 Ų1764 Ų649%0.08732%0.318CS..  trans-114.8124.7-177.5-56.3159.2000109.5I290 R293 N294 P295 E302 Y303I290-I298 HydrophobicContact CG2-CD1 3.72Å; I290-I298 HydrophobicContact CG2-CG1 4.34Å; I290-I298 HydrophobicContact CG2-CG2 3.87Å; I290-I298 WeakPolarHBondContact O-CD1 3.32Å; R293-I298 HydrophobicContact CB-CD1 3.89Å; R293-I298 HydrophobicContact CB-CG1 4.04Å; N294-I298 WeakPolarHBondContact O-CD1 3.14Å; N294-I298 WeakPolarHBondContact O-CG1 3.4Å; P295-I298 PolarHBondContact O-N 3.28Å; I298-E302 HydrophobicContact CG2-CB 4.06Å; I298-Y303 HydrophobicContact CB-CD2 4.48Å; I298-Y303 HydrophobicContact CB-CE2 3.77Å; I298-Y303 WeakPolarHBondContact CD1-OH 3.3Å; I298-Y303 HydrophobicContact CG2-CD1 4.25Å; I298-Y303 HydrophobicContact CG2-CD2 3.65Å; I298-Y303 HydrophobicContact CG2-CE1 3.97Å; I298-Y303 HydrophobicContact CG2-CE2 3.35Å; I298-Y303 HydrophobicContact CG2-CG 4.09Å
299T96.3Very high94.3Very high67 Ų6758.1 Ų58.141%0.41130%0.297SS..  trans-83.9162.6179.161.20000112.3E301 E302 Y303T299-E301 VanDerWaalsContact C-N 3.26Å; T299-E301 WeakPolarHBondContact CB-OE2 3.39Å; T299-E301 PolarHBondContact O-N 2.98Å; T299-E302 PolarHBondContact N-OE2 2.89Å; T299-E302 PolarHBondContact O-N 2.88Å; T299-E302 VanDerWaalsContact OG1-CG 3.27Å; T299-E302 WeakPolarHBondContact OG1-CG 3.48Å; T299-E302 PolarHBondContact OG1-N 3.23Å; T299-E302 PolarHBondContact OG1-OE2 2.93Å; T299-Y303 WeakPolarHBondContact O-CD2 3.45Å; T299-Y303 PolarHBondContact O-N 3.36Å
300Q94.4Very high94.3Very high100 Ų10058 Ų5847%0.46730%0.295SS..Hα-helixtrans-68.3-29.5179.5-174.146.861.700111.8G304 H317Q300-G304 PolarHBondContact O-N 3.48Å; Q300-H317 PolarHBondContact NE2-CE1 2.9Å; Q300-H317 PolarHBondContact NE2-NE2 2.81Å
301E94.3Very high94.1Very high135 Ų13559 Ų5963%0.63130%0.303SS*.Hα-helixtrans-63.9-46173.7-65.873-162.500111.2T299 Y303 G304 E305T299-E301 VanDerWaalsContact C-N 3.26Å; T299-E301 WeakPolarHBondContact CB-OE2 3.39Å; T299-E301 PolarHBondContact O-N 2.98Å; E301-Y303 VanDerWaalsContact C-N 3.35Å; E301-Y303 PolarHBondContact O-N 3.13Å; E301-G304 PolarHBondContact O-N 3.29Å; E301-G304 VanDerWaalsContact O-N 3.14Å; E301-E305 PolarHBondContact O-N 3.24Å
302E94.4Very high93.8Very high55 Ų5564.8 Ų64.826%0.25733%0.333SS..Hα-helixtrans-64.2-39.2177.7-70.6170.7112.800112R293 I298 T299 F306R293-E302 IonicContact CZ-OE1 3.01Å; R293-E302 IonicContact NH1-OE1 3.21Å; R293-E302 PolarHBondContact NH1-OE1 3.35Å; R293-E302 IonicContact NH2-OE1 3.89Å; R293-E302 PolarHBondContact NH2-OE1 3.14Å; R293-E302 IonicContact NH2-OE2 2.69Å; R293-E302 PolarHBondContact NH2-OE2 3.18Å; I298-E302 HydrophobicContact CG2-CB 4.06Å; T299-E302 PolarHBondContact N-OE2 2.89Å; T299-E302 PolarHBondContact O-N 2.88Å; T299-E302 VanDerWaalsContact OG1-CG 3.27Å; T299-E302 WeakPolarHBondContact OG1-CG 3.48Å; T299-E302 PolarHBondContact OG1-N 3.23Å; T299-E302 PolarHBondContact OG1-OE2 2.93Å; E302-F306 VanDerWaalsContact O-CB 3.32Å; E302-F306 WeakPolarHBondContact O-CB 3.31Å; E302-F306 PolarHBondContact O-N 3.18Å
303Y96.8Very high93.8Very high16 Ų1664.1 Ų64.16%0.06333%0.327CS..Hα-helixtrans-64-39.8171.9-79.7-57.3000112.6I290 I298 T299 E301 Y307 V320 H322 L334 F336I290-Y303 HydrophobicContact CG2-CD1 3.9Å; I290-Y303 HydrophobicContact CG2-CE1 3.47Å; I290-Y303 VanDerWaalsContact CG2-CE1 3.47Å; I298-Y303 HydrophobicContact CB-CD2 4.48Å; I298-Y303 HydrophobicContact CB-CE2 3.77Å; I298-Y303 WeakPolarHBondContact CD1-OH 3.3Å; I298-Y303 HydrophobicContact CG2-CD1 4.25Å; I298-Y303 HydrophobicContact CG2-CD2 3.65Å; I298-Y303 HydrophobicContact CG2-CE1 3.97Å; I298-Y303 HydrophobicContact CG2-CE2 3.35Å; I298-Y303 HydrophobicContact CG2-CG 4.09Å; T299-Y303 WeakPolarHBondContact O-CD2 3.45Å; T299-Y303 PolarHBondContact O-N 3.36Å; E301-Y303 VanDerWaalsContact C-N 3.35Å; E301-Y303 PolarHBondContact O-N 3.13Å; Y303-Y307 WeakPolarHBondContact O-CB 3.44Å; Y303-Y307 PolarHBondContact O-N 3.31Å; Y303-V320 HydrophobicContact CD1-CG2 4.01Å; Y303-V320 HydrophobicContact CD2-CG1 4.21Å; Y303-V320 HydrophobicContact CE1-CG2 4.28Å; Y303-V320 HydrophobicContact CG-CG1 4.2Å; Y303-V320 HydrophobicContact CG-CG2 4.37Å; Y303-H322 WeakPolarHBondContact OH-CB 2.95Å; Y303-H322 PolarHBondContact OH-ND1 2.83Å; Y303-L334 HydrophobicContact CE1-CD1 4.27Å; Y303-L334 HydrophobicContact CE1-CD2 3.63Å; Y303-F336 HydrophobicContact CD1-CE1 4.34Å; Y303-F336 HydrophobicContact CD1-CZ 4.27Å
304G95.8Very high93.7Very high0 Ų069.1 Ų69.10%035%0.346CS..Hα-helixtrans-62.9-49.717700000112.5Q300 E301 F306 Y307 K308 D316Q300-G304 PolarHBondContact O-N 3.48Å; E301-G304 PolarHBondContact O-N 3.29Å; E301-G304 VanDerWaalsContact O-N 3.14Å; G304-F306 VanDerWaalsContact C-N 3.34Å; G304-F306 PolarHBondContact O-N 3.09Å; G304-Y307 WeakPolarHBondContact O-CB 3.4Å; G304-Y307 PolarHBondContact O-N 3.23Å; G304-K308 WeakPolarHBondContact O-CG 3.26Å; G304-K308 PolarHBondContact O-N 3Å; G304-D316 WeakPolarHBondContact CA-OD1 3.28Å
305E94.2Very high93.8Very high142 Ų14267.4 Ų67.466%0.66434%0.336SS*.Hα-helixtrans-60.7-43.2176.4-71.6-17416800112E301 K308 S309E301-E305 PolarHBondContact O-N 3.24Å; E305-K308 PolarHBondContact O-N 2.84Å; E305-S309 WeakPolarHBondContact O-CB 3.47Å; E305-S309 PolarHBondContact O-N 2.97Å
306F94.9Very high93.9Very high6 Ų667.4 Ų67.43%0.02633%0.333CS..Hα-helixtrans-62.2-44.6175.8178.7-90.9000111.9F208 T287 I290 W291 E302 G304 S309 L310 L334 F336 V382F208-F306 AromaticContact CE1-CE2 3.67Å; F208-F306 HydrophobicContact CE1-CE2 3.67Å; F208-F306 HydrophobicContact CE1-CZ 4.33Å; F208-F306 AromaticContact CZ-CE2 3.83Å; F208-F306 HydrophobicContact CZ-CE2 3.83Å; F208-F306 HydrophobicContact CZ-CZ 4.05Å; T287-F306 HydrophobicContact CG2-CD2 3.96Å; T287-F306 HydrophobicContact CG2-CE2 4.21Å; I290-F306 HydrophobicContact CB-CD2 4.26Å; I290-F306 HydrophobicContact CB-CG 4.38Å; I290-F306 HydrophobicContact CG1-CB 3.76Å; I290-F306 HydrophobicContact CG1-CD2 3.5Å; I290-F306 VanDerWaalsContact CG1-CD2 3.5Å; I290-F306 HydrophobicContact CG1-CE2 4.26Å; I290-F306 HydrophobicContact CG1-CG 3.67Å; W291-F306 HydrophobicContact CE3-CE2 4.42Å; W291-F306 HydrophobicContact CE3-CZ 4.12Å; W291-F306 AromaticContact CZ3-CE2 3.84Å; W291-F306 HydrophobicContact CZ3-CE2 3.84Å; W291-F306 AromaticContact CZ3-CZ 3.65Å; W291-F306 HydrophobicContact CZ3-CZ 3.65Å; E302-F306 VanDerWaalsContact O-CB 3.32Å; E302-F306 WeakPolarHBondContact O-CB 3.31Å; E302-F306 PolarHBondContact O-N 3.18Å; G304-F306 VanDerWaalsContact C-N 3.34Å; G304-F306 PolarHBondContact O-N 3.09Å; F306-S309 PolarHBondContact O-N 3.1Å; F306-L310 HydrophobicContact CE1-CB 4.42Å; F306-L310 HydrophobicContact CE1-CD2 4.02Å; F306-L310 VanDerWaalsContact O-CB 3.32Å; F306-L310 WeakPolarHBondContact O-CB 3.42Å; F306-L310 PolarHBondContact O-N 3.29Å; F306-L334 HydrophobicContact CD1-CD1 4.35Å; F306-L334 HydrophobicContact CE1-CD1 4.02Å; F306-L334 HydrophobicContact CZ-CD1 4.46Å; F306-F336 AromaticContact CD1-CE2 3.91Å; F306-F336 HydrophobicContact CD1-CE2 3.91Å; F306-F336 AromaticContact CD1-CZ 3.68Å; F306-F336 HydrophobicContact CD1-CZ 3.68Å; F306-F336 AromaticContact CE1-CE2 3.88Å; F306-F336 HydrophobicContact CE1-CE2 3.88Å; F306-F336 HydrophobicContact CE1-CZ 4.1Å; F306-V382 HydrophobicContact CZ-CG2 4.16Å
307Y95.9Very high94Very high3 Ų360.7 Ų60.71%0.01230%0.297CS..Hα-helixtrans-58.1-51.6176.7171.3-101.9000111.6Y303 G304 S309 L310 T311 D313 E315 H317 F336 P338 R380Y303-Y307 WeakPolarHBondContact O-CB 3.44Å; Y303-Y307 PolarHBondContact O-N 3.31Å; G304-Y307 WeakPolarHBondContact O-CB 3.4Å; G304-Y307 PolarHBondContact O-N 3.23Å; Y307-S309 VanDerWaalsContact C-N 3.29Å; Y307-S309 PolarHBondContact O-N 3.46Å; Y307-L310 WeakPolarHBondContact O-CB 3.29Å; Y307-L310 PolarHBondContact O-N 3.37Å; Y307-T311 HydrophobicContact CD2-CG2 3.91Å; Y307-T311 HydrophobicContact CE2-CG2 3.6Å; Y307-T311 PolarHBondContact O-N 2.96Å; Y307-T311 PolarHBondContact O-OG1 2.87Å; Y307-D313 HydrophobicContact CE1-CB 3.9Å; Y307-D313 PolarHBondContact OH-OD2 3.44Å; Y307-E315 WeakPolarHBondContact CE1-O 3.28Å; Y307-H317 HydrophobicContact CD1-CB 3.88Å; Y307-H317 HydrophobicContact CD2-CB 3.89Å; Y307-H317 HydrophobicContact CE1-CB 4.04Å; Y307-H317 HydrophobicContact CE2-CB 4.05Å; Y307-H317 HydrophobicContact CG-CB 3.79Å; Y307-F336 HydrophobicContact CD2-CB 3.6Å; Y307-F336 AromaticContact CD2-CD1 3.8Å; Y307-F336 HydrophobicContact CD2-CD1 3.8Å; Y307-F336 HydrophobicContact CD2-CD2 4.25Å; Y307-F336 AromaticContact CD2-CG 3.63Å; Y307-F336 HydrophobicContact CD2-CG 3.63Å; Y307-F336 HydrophobicContact CE2-CB 3.8Å; Y307-F336 HydrophobicContact CE2-CG 4.33Å; Y307-F336 HydrophobicContact CG-CD1 4.23Å; Y307-F336 HydrophobicContact CG-CG 4.48Å; Y307-P338 WeakPolarHBondContact OH-CA 3.19Å; Y307-P338 WeakPolarHBondContact OH-CB 3.48Å; Y307-R380 HydrophobicContact CE2-CB 4.38Å
308K93.7Very high94.1Very high67 Ų6756.3 Ų56.329%0.29127%0.273SS..Hα-helixtrans-57.5-43.6178-68.7173.4177.9154.50111.2G304 E305 L310 N312 D313 W314 D316G304-K308 WeakPolarHBondContact O-CG 3.26Å; G304-K308 PolarHBondContact O-N 3Å; E305-K308 PolarHBondContact O-N 2.84Å; K308-L310 VanDerWaalsContact C-N 3.33Å; K308-L310 PolarHBondContact O-N 3.25Å; K308-N312 WeakPolarHBondContact O-CA 3.06Å; K308-N312 PolarHBondContact O-N 2.8Å; K308-D313 WeakPolarHBondContact CA-O 3.21Å; K308-D313 WeakPolarHBondContact CB-O 3.19Å; K308-D313 VanDerWaalsContact CG-O 3.32Å; K308-D313 WeakPolarHBondContact CG-O 3.19Å; K308-W314 VanDerWaalsContact CE-O 3.28Å; K308-W314 WeakPolarHBondContact CE-O 3.37Å; K308-D316 VanDerWaalsContact CE-CG 3.44Å; K308-D316 WeakPolarHBondContact CE-OD1 3.47Å; K308-D316 IonicContact NZ-OD1 3.94Å; K308-D316 PolarHBondContact NZ-OD1 2.75Å; K308-D316 IonicContact NZ-OD2 2.78Å; K308-D316 PolarHBondContact NZ-OD2 2.9Å
309S89.7Confident94.2Very high37 Ų3756.2 Ų56.226%0.25928%0.275SS..Hα-helixtrans-66.1-31.8176.5-177.20000113.5T287 E305 F306 Y307T287-S309 WeakPolarHBondContact CG2-OG 3.38Å; T287-S309 PolarHBondContact OG1-OG 3.46Å; E305-S309 WeakPolarHBondContact O-CB 3.47Å; E305-S309 PolarHBondContact O-N 2.97Å; F306-S309 PolarHBondContact O-N 3.1Å; Y307-S309 VanDerWaalsContact C-N 3.29Å; Y307-S309 PolarHBondContact O-N 3.46Å
310L90.5Very high94.3Very high17 Ų1754.3 Ų54.39%0.08926%0.263CS..Hα-helixtrans-77-41.4-178.9177.265.4000111.9F306 Y307 K308 K356 V382F306-L310 HydrophobicContact CE1-CB 4.42Å; F306-L310 HydrophobicContact CE1-CD2 4.02Å; F306-L310 VanDerWaalsContact O-CB 3.32Å; F306-L310 WeakPolarHBondContact O-CB 3.42Å; F306-L310 PolarHBondContact O-N 3.29Å; Y307-L310 WeakPolarHBondContact O-CB 3.29Å; Y307-L310 PolarHBondContact O-N 3.37Å; K308-L310 VanDerWaalsContact C-N 3.33Å; K308-L310 PolarHBondContact O-N 3.25Å; L310-K356 HydrophobicContact CD1-CD 4.44Å; L310-V382 HydrophobicContact CD1-CG2 3.9Å; L310-V382 HydrophobicContact CD2-CG2 3.97Å
311T90.6Very high94.5Very high35 Ų3551.1 Ų51.122%0.21525%0.248CC..Hα-helixtrans-100.5-17.7-170.761.30000113.6Y307 D313 R380Y307-T311 HydrophobicContact CD2-CG2 3.91Å; Y307-T311 HydrophobicContact CE2-CG2 3.6Å; Y307-T311 PolarHBondContact O-N 2.96Å; Y307-T311 PolarHBondContact O-OG1 2.87Å; T311-D313 PolarHBondContact O-N 3.34Å; T311-D313 VanDerWaalsContact OG1-CB 3.22Å; T311-D313 WeakPolarHBondContact OG1-CB 3.3Å; T311-D313 PolarHBondContact OG1-N 3.41Å; T311-R380 HydrophobicContact CG2-CB 3.97Å; T311-R380 HydrophobicContact CG2-CG 3.84Å
312N89.5Confident94.7Very high122 Ų12246.2 Ų46.265%0.65223%0.225SC*.  trans56.925.9-162.6-41.9-71.5000112.8K203 K308K203-N312 PolarHBondContact NZ-OD1 2.98Å; K308-N312 WeakPolarHBondContact O-CA 3.06Å; K308-N312 PolarHBondContact O-N 2.8Å
313D92.1Very high94.8Very high47 Ų4744.1 Ų44.125%0.25122%0.215SC..  trans-76.7142.4166.4-160.4-20.9000109.1Y307 K308 T311 E315Y307-D313 HydrophobicContact CE1-CB 3.9Å; Y307-D313 PolarHBondContact OH-OD2 3.44Å; K308-D313 WeakPolarHBondContact CA-O 3.21Å; K308-D313 WeakPolarHBondContact CB-O 3.19Å; K308-D313 VanDerWaalsContact CG-O 3.32Å; K308-D313 WeakPolarHBondContact CG-O 3.19Å; T311-D313 PolarHBondContact O-N 3.34Å; T311-D313 VanDerWaalsContact OG1-CB 3.22Å; T311-D313 WeakPolarHBondContact OG1-CB 3.3Å; T311-D313 PolarHBondContact OG1-N 3.41Å; D313-E315 PolarHBondContact OD1-N 2.75Å
314W91.7Very high94.7Very high191 Ų19145.9 Ų45.972%0.72323%0.229SC*.SBendtrans-89-20.1175.860.4-89.4000111.6K308K308-W314 VanDerWaalsContact CE-O 3.28Å; K308-W314 WeakPolarHBondContact CE-O 3.37Å
315E94.8Very high94.6Very high44 Ų4447.4 Ų47.421%0.20624%0.238CC..SBendtrans-89.3151.3176.5-155.8177.5170.100110.7Y307 D313 R339 R340Y307-E315 WeakPolarHBondContact CE1-O 3.28Å; D313-E315 PolarHBondContact OD1-N 2.75Å; E315-R339 WeakPolarHBondContact OE1-CD 3.36Å; E315-R340 IonicContact OE1-NH2 2.91Å; E315-R340 IonicContact OE2-CZ 3.7Å; E315-R340 VanDerWaalsContact OE2-CZ 3.28Å; E315-R340 IonicContact OE2-NE 2.97Å; E315-R340 PolarHBondContact OE2-NE 3.06Å; E315-R340 IonicContact OE2-NH2 3.63Å; E315-R340 PolarHBondContact OE2-NH2 2.77Å
316D96.5Very high94.3Very high61 Ų6148.5 Ų48.533%0.32624%0.244SC..PPolyproline II helixtrans-70.9157172.5-73-55.3000111.6G304 K308 R339G304-D316 WeakPolarHBondContact CA-OD1 3.28Å; K308-D316 VanDerWaalsContact CE-CG 3.44Å; K308-D316 WeakPolarHBondContact CE-OD1 3.47Å; K308-D316 IonicContact NZ-OD1 3.94Å; K308-D316 PolarHBondContact NZ-OD1 2.75Å; K308-D316 IonicContact NZ-OD2 2.78Å; K308-D316 PolarHBondContact NZ-OD2 2.9Å; D316-R339 WeakPolarHBondContact O-CD 2.91Å; D316-R339 VanDerWaalsContact O-CG 3.28Å; D316-R339 WeakPolarHBondContact O-CG 3.32Å; D316-R339 PolarHBondContact O-NE 3.01Å
317H97.5Very high93.8Very high3 Ų351.1 Ų51.11%0.01427%0.272CS..PPolyproline II helixtrans-63.9160.2173.766.679000111.9Q300 Y307 A319 V320 F336 R339Q300-H317 PolarHBondContact NE2-CE1 2.9Å; Q300-H317 PolarHBondContact NE2-NE2 2.81Å; Y307-H317 HydrophobicContact CD1-CB 3.88Å; Y307-H317 HydrophobicContact CD2-CB 3.89Å; Y307-H317 HydrophobicContact CE1-CB 4.04Å; Y307-H317 HydrophobicContact CE2-CB 4.05Å; Y307-H317 HydrophobicContact CG-CB 3.79Å; H317-A319 VanDerWaalsContact ND1-C 3.33Å; H317-A319 PolarHBondContact ND1-N 3.46Å; H317-A319 PolarHBondContact ND1-O 2.87Å; H317-V320 VanDerWaalsContact CE1-CG1 3.48Å; H317-V320 WeakPolarHBondContact CE1-CG1 3.35Å; H317-F336 HydrophobicContact CB-CB 4.4Å; H317-F336 HydrophobicContact CB-CD1 4.01Å; H317-F336 AromaticContact CD2-CD1 3.5Å; H317-F336 AromaticContact CD2-CE1 3.68Å; H317-F336 AromaticContact CG-CD1 3.72Å; H317-F336 AromaticContact NE2-CE1 3.91Å; H317-R339 PolarHBondContact O-NE 3.01Å; H317-R339 PolarHBondContact O-NH2 3.3Å
318L97.6Very high93Very high18 Ų1860.8 Ų60.89%0.09432%0.317CS..SBendtrans-78.8-46.4174.2-174.864.2000111I337 R339 L421 N427 F431L318-I337 HydrophobicContact CB-CB 4.49Å; L318-I337 HydrophobicContact CB-CG2 4.21Å; L318-I337 WeakPolarHBondContact CB-O 3.46Å; L318-I337 HydrophobicContact CD2-CG2 4.11Å; L318-I337 PolarHBondContact N-O 3.42Å; L318-R339 HydrophobicContact CB-CG 3.84Å; L318-R339 HydrophobicContact CD1-CG 4.21Å; L318-L421 HydrophobicContact CD2-CD2 4.3Å; L318-N427 HydrophobicContact CD1-CB 4.34Å; L318-F431 HydrophobicContact CD2-CB 3.62Å; L318-F431 HydrophobicContact CD2-CD2 4.39Å; L318-F431 HydrophobicContact CD2-CG 4.48Å
319A97.9Very high92.6Very high14 Ų1458.9 Ų58.912%0.11631%0.311CS..EExtended strand (participates in β ladder)trans-152.1153.8-17900000110.3H317 F336 I337 L417 L421H317-A319 VanDerWaalsContact ND1-C 3.33Å; H317-A319 PolarHBondContact ND1-N 3.46Å; H317-A319 PolarHBondContact ND1-O 2.87Å; A319-F336 WeakPolarHBondContact O-CA 3.08Å; A319-I337 HydrophobicContact CB-CB 4.43Å; A319-I337 HydrophobicContact CB-CD1 4.28Å; A319-I337 PolarHBondContact O-N 2.81Å; A319-L417 HydrophobicContact CB-CD1 4.16Å; A319-L421 HydrophobicContact CB-CD1 4.33Å
320V98.1Very high92.6Very high28 Ų2861.3 Ų61.317%0.1732%0.318CS..EExtended strand (participates in β ladder)trans-131.4144.5179.260.70000110.1Y303 H317 L335 F336Y303-V320 HydrophobicContact CD1-CG2 4.01Å; Y303-V320 HydrophobicContact CD2-CG1 4.21Å; Y303-V320 HydrophobicContact CE1-CG2 4.28Å; Y303-V320 HydrophobicContact CG-CG1 4.2Å; Y303-V320 HydrophobicContact CG-CG2 4.37Å; H317-V320 VanDerWaalsContact CE1-CG1 3.48Å; H317-V320 WeakPolarHBondContact CE1-CG1 3.35Å; V320-L335 CarbonylContact C-O 3.45Å; V320-L335 VanDerWaalsContact CA-O 3.29Å; V320-L335 WeakPolarHBondContact CA-O 3.44Å; V320-F336 HydrophobicContact CB-CD1 3.83Å; V320-F336 HydrophobicContact CB-CE1 3.86Å; V320-F336 HydrophobicContact CG2-CD1 3.65Å; V320-F336 HydrophobicContact CG2-CE1 3.34Å; V320-F336 HydrophobicContact CG2-CG 4.39Å; V320-F336 HydrophobicContact CG2-CZ 3.83Å
321K98.1Very high92.8Very high33 Ų3360.6 Ų60.614%0.14331%0.314CS..EExtended strand (participates in β ladder)trans-125.7118.3168.6-165.166.1164.8-177.20109.8L335 L417 E420K321-L335 PolarHBondContact N-O 3.15Å; K321-L335 PolarHBondContact O-N 2.89Å; K321-L417 HydrophobicContact CB-CB 4.29Å; K321-L417 HydrophobicContact CB-CD1 4.22Å; K321-L417 HydrophobicContact CB-CD2 3.99Å; K321-L417 HydrophobicContact CB-CG 4.39Å; K321-L417 HydrophobicContact CD-CB 4.45Å; K321-L417 HydrophobicContact CD-CD1 4.36Å; K321-L417 HydrophobicContact CG-CB 4.48Å; K321-E420 IonicContact NZ-OE1 3.13Å; K321-E420 PolarHBondContact NZ-OE1 3.23Å; K321-E420 IonicContact NZ-OE2 3.03Å; K321-E420 PolarHBondContact NZ-OE2 3.38Å
322H98Very high93.1Very high31 Ų3163.4 Ų63.414%0.14432%0.321CS..EExtended strand (participates in β ladder)trans-97.2129.5166.9-167.8177.8000108.9P295 Y303 L334P295-H322 WeakPolarHBondContact CG-ND1 3.27Å; Y303-H322 WeakPolarHBondContact OH-CB 2.95Å; Y303-H322 PolarHBondContact OH-ND1 2.83Å; H322-L334 HydrophobicContact CB-CD2 3.53Å
323F96.8Very high93.5Very high12 Ų1257.7 Ų57.75%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-148.7154.7171.570.4-81.4000112V325 F331 A333 L335 I410 K413F323-V325 HydrophobicContact CD2-CG2 3.96Å; F323-V325 HydrophobicContact CE2-CG2 3.91Å; F323-F331 AromaticContact CE2-CE2 3.64Å; F323-F331 HydrophobicContact CE2-CE2 3.64Å; F323-F331 HydrophobicContact CE2-CZ 4.11Å; F323-F331 HydrophobicContact CZ-CE2 4.05Å; F323-A333 HydrophobicContact CD1-CB 4.19Å; F323-A333 HydrophobicContact CE1-CB 3.55Å; F323-A333 HydrophobicContact CE2-CB 4.21Å; F323-A333 HydrophobicContact CZ-CB 3.58Å; F323-A333 PolarHBondContact N-O 3.28Å; F323-A333 VanDerWaalsContact N-O 3.09Å; F323-A333 PolarHBondContact O-N 3.15Å; F323-L335 HydrophobicContact CE1-CD1 3.59Å; F323-L335 HydrophobicContact CE1-CG 3.94Å; F323-L335 HydrophobicContact CZ-CD1 4.35Å; F323-I410 HydrophobicContact CZ-CG1 4.15Å; F323-K413 HydrophobicContact CB-CD 4.38Å; F323-K413 HydrophobicContact CB-CG 4.32Å; F323-K413 HydrophobicContact CD1-CB 3.99Å; F323-K413 HydrophobicContact CD1-CG 3.91Å; F323-K413 HydrophobicContact CD2-CG 3.76Å; F323-K413 HydrophobicContact CE1-CB 3.94Å; F323-K413 HydrophobicContact CE1-CG 4.09Å; F323-K413 HydrophobicContact CE2-CG 3.94Å; F323-K413 HydrophobicContact CG-CB 4.34Å; F323-K413 HydrophobicContact CG-CD 4.32Å; F323-K413 HydrophobicContact CG-CG 3.73Å; F323-K413 HydrophobicContact CZ-CB 4.24Å; F323-K413 HydrophobicContact CZ-CG 4.09Å
324S95.3Very high93.7Very high53 Ų5355.4 Ų55.437%0.37128%0.278SS..EExtended strand (participates in β ladder)trans-117.4148.7169.6-172.80000109.1F331S324-F331 WeakPolarHBondContact CA-O 3.28Å
325V93.6Very high94.1Very high31 Ų3146.4 Ų46.419%0.18824%0.244CC..EExtended strand (participates in β ladder)trans-119.8122.2169.1179.60000107F323 E330 F331 N409F323-V325 HydrophobicContact CD2-CG2 3.96Å; F323-V325 HydrophobicContact CE2-CG2 3.91Å; V325-E330 VanDerWaalsContact O-CA 3.29Å; V325-E330 WeakPolarHBondContact O-CA 3.46Å; V325-F331 HydrophobicContact CB-CD1 4Å; V325-F331 HydrophobicContact CB-CE1 3.69Å; V325-F331 HydrophobicContact CB-CZ 4.03Å; V325-F331 HydrophobicContact CG1-CE1 4.11Å; V325-F331 HydrophobicContact CG2-CD1 4.42Å; V325-F331 HydrophobicContact CG2-CE1 3.74Å; V325-F331 HydrophobicContact CG2-CE2 4.06Å; V325-F331 HydrophobicContact CG2-CZ 3.54Å; V325-F331 PolarHBondContact N-O 3.05Å; V325-F331 PolarHBondContact O-N 2.9Å; V325-F331 VanDerWaalsContact O-N 3.14Å; V325-N409 HydrophobicContact CG2-CB 4.31Å
326E87.6Confident94.2Very high165 Ų16544.3 Ų44.377%0.77123%0.234SC*.  trans-105.4149.8176.5-63.9174.7-171.800109.9
327G84.1Confident94.3Very high61 Ų6141.4 Ų41.463%0.62922%0.219SC*.SBendtrans134.6-145.6177.800000112.4L329G327-L329 PolarHBondContact O-N 3.22Å
328Q78.5Confident94.3Very high206 Ų20641.4 Ų41.496%0.96322%0.219SC*.SBendtrans-63.1-26.8179.2-173.4178.311.700112.9
329L85.9Confident94.3Very high28 Ų2844.7 Ų44.715%0.14723%0.23CC..SBendtrans-124.1101.1175.3-179.469.7000108.2G327 F331 L388 I402 V405 I406G327-L329 PolarHBondContact O-N 3.22Å; L329-F331 HydrophobicContact CD2-CD1 4.18Å; L329-F331 HydrophobicContact CD2-CE1 4.14Å; L329-F331 HydrophobicContact CG-CD1 4.07Å; L329-F331 HydrophobicContact CG-CE1 4.46Å; L329-L388 HydrophobicContact CD1-CD2 3.56Å; L329-I402 HydrophobicContact CD1-CG2 3.63Å; L329-I402 HydrophobicContact CD2-CG2 3.81Å; L329-I402 HydrophobicContact CG-CG2 4.39Å; L329-V405 HydrophobicContact CD2-CB 4.32Å; L329-V405 HydrophobicContact CD2-CG1 4.08Å; L329-I406 HydrophobicContact CD2-CD1 4.3Å; L329-I406 HydrophobicContact CD2-CG1 3.62Å
330E90.6Very high94.1Very high88 Ų8851.2 Ų51.241%0.41125%0.252SS..  trans-92124.5178.9-168.4179168.400111V325 S385V325-E330 VanDerWaalsContact O-CA 3.29Å; V325-E330 WeakPolarHBondContact O-CA 3.46Å; E330-S385 WeakPolarHBondContact O-CB 3.37Å; E330-S385 PolarHBondContact O-OG 2.87Å
331F94.8Very high93.9Very high2 Ų251.8 Ų51.81%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-156.8154.5172.470.1-88.8000111.7F323 S324 V325 L329 A333 V383 D384 I406 N409F323-F331 AromaticContact CE2-CE2 3.64Å; F323-F331 HydrophobicContact CE2-CE2 3.64Å; F323-F331 HydrophobicContact CE2-CZ 4.11Å; F323-F331 HydrophobicContact CZ-CE2 4.05Å; S324-F331 WeakPolarHBondContact CA-O 3.28Å; V325-F331 HydrophobicContact CB-CD1 4Å; V325-F331 HydrophobicContact CB-CE1 3.69Å; V325-F331 HydrophobicContact CB-CZ 4.03Å; V325-F331 HydrophobicContact CG1-CE1 4.11Å; V325-F331 HydrophobicContact CG2-CD1 4.42Å; V325-F331 HydrophobicContact CG2-CE1 3.74Å; V325-F331 HydrophobicContact CG2-CE2 4.06Å; V325-F331 HydrophobicContact CG2-CZ 3.54Å; V325-F331 PolarHBondContact N-O 3.05Å; V325-F331 PolarHBondContact O-N 2.9Å; V325-F331 VanDerWaalsContact O-N 3.14Å; L329-F331 HydrophobicContact CD2-CD1 4.18Å; L329-F331 HydrophobicContact CD2-CE1 4.14Å; L329-F331 HydrophobicContact CG-CD1 4.07Å; L329-F331 HydrophobicContact CG-CE1 4.46Å; F331-A333 HydrophobicContact CD2-CB 4.34Å; F331-A333 HydrophobicContact CE2-CB 4.34Å; F331-V383 HydrophobicContact CB-CG1 4.47Å; F331-V383 HydrophobicContact CD2-CG1 3.75Å; F331-V383 HydrophobicContact CE2-CG1 4.29Å; F331-V383 HydrophobicContact CG-CG1 4.31Å; F331-D384 CarbonylContact C-O 3.58Å; F331-D384 VanDerWaalsContact CA-O 3.27Å; F331-D384 WeakPolarHBondContact CA-O 3.35Å; F331-D384 VanDerWaalsContact CB-O 3.29Å; F331-D384 WeakPolarHBondContact CB-O 3.39Å; F331-I406 HydrophobicContact CD1-CG1 4.4Å; F331-I406 HydrophobicContact CE1-CG1 4.11Å; F331-I406 HydrophobicContact CE2-CG2 4.42Å; F331-I406 HydrophobicContact CZ-CG1 4.45Å; F331-I406 HydrophobicContact CZ-CG2 4.27Å; F331-N409 HydrophobicContact CZ-CB 3.94Å
332R96.3Very high93.6Very high94 Ų9451.8 Ų51.836%0.35526%0.263SS..EExtended strand (participates in β ladder)trans-113.9148.6171.6-57.1-173.3-171.8179.44.6109.4W291 T292 D384W291-R332 HydrophobicContact CB-CB 4.24Å; W291-R332 WeakPolarHBondContact O-CD 3.38Å; W291-R332 PolarHBondContact O-NH1 3.19Å; T292-R332 PolarHBondContact O-NH1 2.72Å; R332-D384 PolarHBondContact N-O 2.96Å; R332-D384 PolarHBondContact O-N 3.32Å
333A97.1Very high93.3Very high1 Ų159.9 Ų59.91%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-146.4146.5-179.400000112.8F323 F331 V382 V383F323-A333 HydrophobicContact CD1-CB 4.19Å; F323-A333 HydrophobicContact CE1-CB 3.55Å; F323-A333 HydrophobicContact CE2-CB 4.21Å; F323-A333 HydrophobicContact CZ-CB 3.58Å; F323-A333 PolarHBondContact N-O 3.28Å; F323-A333 VanDerWaalsContact N-O 3.09Å; F323-A333 PolarHBondContact O-N 3.15Å; F331-A333 HydrophobicContact CD2-CB 4.34Å; F331-A333 HydrophobicContact CE2-CB 4.34Å; A333-V382 WeakPolarHBondContact CA-O 3.5Å; A333-V382 WeakPolarHBondContact CB-O 3.49Å; A333-V383 HydrophobicContact CB-CG2 4.07Å
334L97.9Very high93.1Very high0 Ų060.6 Ų60.60%030%0.303CS..EExtended strand (participates in β ladder)trans-118.9123.4169.8-67176.4000108.9I290 W291 Y303 F306 H322 F336 G381 V382I290-L334 HydrophobicContact CB-CD1 3.82Å; I290-L334 HydrophobicContact CG2-CD1 3.96Å; W291-L334 HydrophobicContact CB-CD1 4.12Å; W291-L334 HydrophobicContact CB-CG 4.02Å; W291-L334 HydrophobicContact CE3-CD1 4.15Å; Y303-L334 HydrophobicContact CE1-CD1 4.27Å; Y303-L334 HydrophobicContact CE1-CD2 3.63Å; F306-L334 HydrophobicContact CD1-CD1 4.35Å; F306-L334 HydrophobicContact CE1-CD1 4.02Å; F306-L334 HydrophobicContact CZ-CD1 4.46Å; H322-L334 HydrophobicContact CB-CD2 3.53Å; L334-F336 HydrophobicContact CB-CE2 3.73Å; L334-F336 HydrophobicContact CB-CZ 4.2Å; L334-F336 HydrophobicContact CD1-CZ 4.45Å; L334-G381 CarbonylContact O-C 3.56Å; L334-G381 WeakPolarHBondContact O-CA 3.38Å; L334-V382 PolarHBondContact N-O 3.16Å; L334-V382 PolarHBondContact O-N 3.29Å
335L98.3Very high92.9Very high1 Ų159 Ų591%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-119.6131.8178.8-57.2178.5000109.5V320 K321 F323 I355 I379 R380 I410 C414V320-L335 CarbonylContact C-O 3.45Å; V320-L335 VanDerWaalsContact CA-O 3.29Å; V320-L335 WeakPolarHBondContact CA-O 3.44Å; K321-L335 PolarHBondContact N-O 3.15Å; K321-L335 PolarHBondContact O-N 2.89Å; F323-L335 HydrophobicContact CE1-CD1 3.59Å; F323-L335 HydrophobicContact CE1-CG 3.94Å; F323-L335 HydrophobicContact CZ-CD1 4.35Å; L335-I355 HydrophobicContact CD2-CD1 3.84Å; L335-I379 HydrophobicContact CB-CG2 3.92Å; L335-I379 HydrophobicContact CD2-CG2 4.14Å; L335-R380 CarbonylContact C-O 3.56Å; L335-I410 HydrophobicContact CD1-CG2 3.94Å; L335-I410 HydrophobicContact CD2-CG2 4.39Å; L335-C414 VanDerWaalsContact CD1-SG 3.58Å
336F98.5Very high92.7Very high0 Ų062.7 Ų62.70%030%0.303CS..EExtended strand (participates in β ladder)trans-122.3133.6-176.5-62.3-88.3000110.3Y303 F306 Y307 H317 A319 V320 L334 I379 R380Y303-F336 HydrophobicContact CD1-CE1 4.34Å; Y303-F336 HydrophobicContact CD1-CZ 4.27Å; F306-F336 AromaticContact CD1-CE2 3.91Å; F306-F336 HydrophobicContact CD1-CE2 3.91Å; F306-F336 AromaticContact CD1-CZ 3.68Å; F306-F336 HydrophobicContact CD1-CZ 3.68Å; F306-F336 AromaticContact CE1-CE2 3.88Å; F306-F336 HydrophobicContact CE1-CE2 3.88Å; F306-F336 HydrophobicContact CE1-CZ 4.1Å; Y307-F336 HydrophobicContact CD2-CB 3.6Å; Y307-F336 AromaticContact CD2-CD1 3.8Å; Y307-F336 HydrophobicContact CD2-CD1 3.8Å; Y307-F336 HydrophobicContact CD2-CD2 4.25Å; Y307-F336 AromaticContact CD2-CG 3.63Å; Y307-F336 HydrophobicContact CD2-CG 3.63Å; Y307-F336 HydrophobicContact CE2-CB 3.8Å; Y307-F336 HydrophobicContact CE2-CG 4.33Å; Y307-F336 HydrophobicContact CG-CD1 4.23Å; Y307-F336 HydrophobicContact CG-CG 4.48Å; H317-F336 HydrophobicContact CB-CB 4.4Å; H317-F336 HydrophobicContact CB-CD1 4.01Å; H317-F336 AromaticContact CD2-CD1 3.5Å; H317-F336 AromaticContact CD2-CE1 3.68Å; H317-F336 AromaticContact CG-CD1 3.72Å; H317-F336 AromaticContact NE2-CE1 3.91Å; A319-F336 WeakPolarHBondContact O-CA 3.08Å; V320-F336 HydrophobicContact CB-CD1 3.83Å; V320-F336 HydrophobicContact CB-CE1 3.86Å; V320-F336 HydrophobicContact CG2-CD1 3.65Å; V320-F336 HydrophobicContact CG2-CE1 3.34Å; V320-F336 HydrophobicContact CG2-CG 4.39Å; V320-F336 HydrophobicContact CG2-CZ 3.83Å; L334-F336 HydrophobicContact CB-CE2 3.73Å; L334-F336 HydrophobicContact CB-CZ 4.2Å; L334-F336 HydrophobicContact CD1-CZ 4.45Å; F336-I379 WeakPolarHBondContact O-CA 3.49Å; F336-R380 HydrophobicContact CB-CB 4.4Å; F336-R380 PolarHBondContact N-O 2.91Å; F336-R380 PolarHBondContact O-N 3.11Å
337I98.3Very high92.9Very high0 Ų060 Ų600%029%0.291CS..EExtended strand (participates in β ladder)trans-94.8116.7167.2-61.1177.1000107.3L318 A319 F378 L417 F418 L421 F431 F435L318-I337 HydrophobicContact CB-CB 4.49Å; L318-I337 HydrophobicContact CB-CG2 4.21Å; L318-I337 WeakPolarHBondContact CB-O 3.46Å; L318-I337 HydrophobicContact CD2-CG2 4.11Å; L318-I337 PolarHBondContact N-O 3.42Å; A319-I337 HydrophobicContact CB-CB 4.43Å; A319-I337 HydrophobicContact CB-CD1 4.28Å; A319-I337 PolarHBondContact O-N 2.81Å; I337-F378 HydrophobicContact CG2-CE2 4.29Å; I337-L417 HydrophobicContact CD1-CD2 3.51Å; I337-L417 HydrophobicContact CD1-CG 4.01Å; I337-L417 HydrophobicContact CG1-CD2 3.8Å; I337-F418 HydrophobicContact CD1-CD1 3.68Å; I337-F418 HydrophobicContact CD1-CE1 3.48Å; I337-F418 VanDerWaalsContact CD1-CE1 3.48Å; I337-F418 HydrophobicContact CG1-CE1 4.22Å; I337-L421 HydrophobicContact CD1-CD2 4.25Å; I337-F431 HydrophobicContact CD1-CD2 4.38Å; I337-F431 HydrophobicContact CD1-CE2 4.12Å; I337-F431 HydrophobicContact CG2-CD2 3.79Å; I337-F431 HydrophobicContact CG2-CE2 4.05Å; I337-F435 HydrophobicContact CG2-CD2 4.45Å; I337-F435 HydrophobicContact CG2-CE2 4.09Å
338P97.8Very high92.7Very high4 Ų463.7 Ų63.73%0.02630%0.296CS..  trans-61.7153.4172.1-21.634.2000111.8Y307 R340 R380 F435Y307-P338 WeakPolarHBondContact OH-CA 3.19Å; Y307-P338 WeakPolarHBondContact OH-CB 3.48Å; P338-R340 VanDerWaalsContact C-N 3.31Å; P338-R340 WeakPolarHBondContact CB-O 3.45Å; P338-R380 HydrophobicContact CG-CG 4.2Å; P338-F435 HydrophobicContact CB-CZ 4.35Å; P338-F435 VanDerWaalsContact O-CE2 3.3Å; P338-F435 WeakPolarHBondContact O-CE2 3.41Å
339R96.5Very high93Very high86 Ų8663.5 Ų63.533%0.32529%0.292SS..SBendtrans-69.8-29.3173.4-74.4-179.5-173.7-89.1-8.6113.3E315 D316 H317 L318E315-R339 WeakPolarHBondContact OE1-CD 3.36Å; D316-R339 WeakPolarHBondContact O-CD 2.91Å; D316-R339 VanDerWaalsContact O-CG 3.28Å; D316-R339 WeakPolarHBondContact O-CG 3.32Å; D316-R339 PolarHBondContact O-NE 3.01Å; H317-R339 PolarHBondContact O-NE 3.01Å; H317-R339 PolarHBondContact O-NH2 3.3Å; L318-R339 HydrophobicContact CB-CG 3.84Å; L318-R339 HydrophobicContact CD1-CG 4.21Å
340R94.5Very high93Very high151 Ų15165.9 Ų65.957%0.5730%0.301SS*.SBendtrans-127.5145.1-177.3-55.4-177.7-160.5-157.2-0.8110.2E315 P338E315-R340 IonicContact OE1-NH2 2.91Å; E315-R340 IonicContact OE2-CZ 3.7Å; E315-R340 VanDerWaalsContact OE2-CZ 3.28Å; E315-R340 IonicContact OE2-NE 2.97Å; E315-R340 PolarHBondContact OE2-NE 3.06Å; E315-R340 IonicContact OE2-NH2 3.63Å; E315-R340 PolarHBondContact OE2-NH2 2.77Å; P338-R340 VanDerWaalsContact C-N 3.31Å; P338-R340 WeakPolarHBondContact CB-O 3.45Å
341A94.3Very high92.8Very high41 Ų4167.9 Ų67.934%0.33931%0.309SS..  trans-67.8134.616800000109.7L345 F435A341-L345 HydrophobicContact CB-CD2 3.93Å; A341-F435 HydrophobicContact CB-CD1 4.35Å; A341-F435 HydrophobicContact CB-CE1 3.84Å; A341-F435 HydrophobicContact CB-CZ 4.37Å
342P91.9Very high92.6Very high33 Ų3370.1 Ų70.121%0.21432%0.318CS..  trans-66.1147.1172.528.4-32.3000110D344 L345P342-D344 PolarHBondContact O-N 3.14Å; P342-D344 VanDerWaalsContact O-N 3.14Å; P342-L345 HydrophobicContact CG-CB 3.97Å; P342-L345 HydrophobicContact CG-CD1 4.13Å; P342-L345 VanDerWaalsContact O-CB 3.31Å; P342-L345 WeakPolarHBondContact O-CB 3.29Å; P342-L345 PolarHBondContact O-N 3.38Å; P342-L345 VanDerWaalsContact O-N 3.11Å
343F91.4Very high92.3Very high200 Ų20068.7 Ų68.788%0.87732%0.318SS*.THydrogen-bonded Turntrans-60.7-26.8-17769.5-89.6000112.9
344D91Very high92.1Very high28 Ų2869.4 Ų69.415%0.1532%0.322CS..THydrogen-bonded Turntrans-99.418.4-178.958.815.3000113.6P342 F346 E347 K350P342-D344 PolarHBondContact O-N 3.14Å; P342-D344 VanDerWaalsContact O-N 3.14Å; D344-F346 PolarHBondContact O-N 2.64Å; D344-F346 VanDerWaalsContact O-N 3.12Å; D344-E347 HydrophobicContact CB-CB 4.33Å; D344-E347 WeakPolarHBondContact O-CB 3.48Å; D344-E347 PolarHBondContact O-N 3.14Å; D344-K350 HydrophobicContact CB-CD 4.45Å; D344-K350 IonicContact OD1-NZ 2.77Å; D344-K350 PolarHBondContact OD1-NZ 3.46Å; D344-K350 IonicContact OD2-NZ 3.51Å; D344-K350 PolarHBondContact OD2-NZ 3.42Å
345L91.5Very high92Very high18 Ų1869.4 Ų69.49%0.09432%0.322CS..THydrogen-bonded Turntrans-53.8-36.5-174.5-178.957.6000114.4A341 P342 N377 F378 F435 N438A341-L345 HydrophobicContact CB-CD2 3.93Å; P342-L345 HydrophobicContact CG-CB 3.97Å; P342-L345 HydrophobicContact CG-CD1 4.13Å; P342-L345 VanDerWaalsContact O-CB 3.31Å; P342-L345 WeakPolarHBondContact O-CB 3.29Å; P342-L345 PolarHBondContact O-N 3.38Å; P342-L345 VanDerWaalsContact O-N 3.11Å; L345-N377 WeakPolarHBondContact CD1-O 3.04Å; L345-F378 HydrophobicContact CD1-CB 3.82Å; L345-F435 HydrophobicContact CD2-CD1 4.29Å; L345-F435 HydrophobicContact CD2-CE1 4.35Å; L345-N438 WeakPolarHBondContact CD2-OD1 3.17Å
346F90.5Very high91.7Very high109 Ų10971.9 Ų71.948%0.47833%0.332SS..THydrogen-bonded Turntrans-104.918.3-177.3-60.7-70.7000113D344 N348 K437 N438D344-F346 PolarHBondContact O-N 2.64Å; D344-F346 VanDerWaalsContact O-N 3.12Å; F346-N348 PolarHBondContact O-N 2.95Å; F346-K437 HydrophobicContact CE2-CB 4.37Å; F346-K437 HydrophobicContact CE2-CD 4.17Å; F346-K437 HydrophobicContact CZ-CB 3.8Å; F346-K437 HydrophobicContact CZ-CD 4.41Å; F346-N438 WeakPolarHBondContact CZ-OD1 3.19Å
347E91.1Very high91.5Very high109 Ų10971.9 Ų71.951%0.50933%0.332SS..  trans-80.394.8175.4-168.8-179.1168.800111.2D344 K349 K350D344-E347 HydrophobicContact CB-CB 4.33Å; D344-E347 WeakPolarHBondContact O-CB 3.48Å; D344-E347 PolarHBondContact O-N 3.14Å; E347-K349 PolarHBondContact O-N 3.32Å; E347-K350 HydrophobicContact CB-CB 4.43Å; E347-K350 WeakPolarHBondContact O-CB 3.49Å; E347-K350 PolarHBondContact O-N 3.46Å
348N80Confident91.2Very high138 Ų13872 Ų7274%0.73833%0.333SS*.THydrogen-bonded Turntrans-61.5-17.7-174-67.2-16.7000115.5F346F346-N348 PolarHBondContact O-N 2.95Å
349K85.5Confident90.9Very high202 Ų20272.2 Ų72.288%0.87833%0.334SS*.THydrogen-bonded Turntrans-83.5-15178.3-68.6-176.4179.6178.70112.9E347E347-K349 PolarHBondContact O-N 3.32Å
350K85.9Confident90.5Very high78 Ų7869.9 Ų69.934%0.33933%0.325SS..SBendtrans-72.6137.2-176.5-173.9174.2172.1179.10110.3D344 E347 K352D344-K350 HydrophobicContact CB-CD 4.45Å; D344-K350 IonicContact OD1-NZ 2.77Å; D344-K350 PolarHBondContact OD1-NZ 3.46Å; D344-K350 IonicContact OD2-NZ 3.51Å; D344-K350 PolarHBondContact OD2-NZ 3.42Å; E347-K350 HydrophobicContact CB-CB 4.43Å; E347-K350 WeakPolarHBondContact O-CB 3.49Å; E347-K350 PolarHBondContact O-N 3.46Å; K350-K352 PolarHBondContact O-N 2.92Å
351K86.6Confident90.4Very high130 Ų13064.9 Ų64.957%0.56531%0.306SS*.  trans-61.4124.3172-171.9-172.5-179.4-160.10109.3N353 D366K351-N353 PolarHBondContact O-N 3.38Å; K351-D366 VanDerWaalsContact CE-OD1 3.24Å; K351-D366 WeakPolarHBondContact CE-OD1 3.42Å; K351-D366 IonicContact NZ-OD1 3.28Å; K351-D366 PolarHBondContact NZ-OD1 2.88Å; K351-D366 IonicContact NZ-OD2 3.89Å; K351-D366 PolarHBondContact NZ-OD2 3.48Å
352K89.6Confident90.1Very high49 Ų4963.2 Ų63.221%0.21329%0.292CS..  trans-82.5108.3178.2-52-179.2-162.6154.10109.3K350 C368 D369 E374 N377K350-K352 PolarHBondContact O-N 2.92Å; K352-C368 HydrophobicContact CB-CB 3.72Å; K352-C368 PolarHBondContact O-N 3.36Å; K352-C368 PolarHBondContact O-SG 3.12Å; K352-D369 WeakPolarHBondContact CD-OD1 3.42Å; K352-D369 VanDerWaalsContact CE-OD1 3.28Å; K352-D369 WeakPolarHBondContact CE-OD1 3.33Å; K352-D369 IonicContact NZ-OD1 2.66Å; K352-D369 PolarHBondContact NZ-OD1 3.45Å; K352-E374 WeakPolarHBondContact CE-OE2 3.19Å; K352-E374 IonicContact NZ-OE1 2.69Å; K352-E374 IonicContact NZ-OE2 3.86Å; K352-E374 PolarHBondContact NZ-OE2 3.05Å; K352-N377 WeakPolarHBondContact CD-ND2 3.37Å
353N90Very high90.1Very high65 Ų6562.3 Ų62.335%0.34829%0.285SS..  trans-13323.1-172.964.7-6.9000113.5K351 D366K351-N353 PolarHBondContact O-N 3.38Å; N353-D366 WeakPolarHBondContact CA-O 3.34Å; N353-D366 HydrophobicContact CB-CB 3.93Å; N353-D366 WeakPolarHBondContact CB-OD2 3.34Å
354N93.8Very high90.1Very high16 Ų1653.2 Ų53.29%0.08625%0.245CC..SBendtrans-69.2-37.5-173.5-71.3-31.7000113.5C368 N377 I379 R380 G381N354-C368 PolarHBondContact N-SG 2.72Å; N354-N377 PolarHBondContact ND2-O 3.35Å; N354-N377 PolarHBondContact ND2-OD1 3.49Å; N354-I379 WeakPolarHBondContact CB-O 3.34Å; N354-R380 CarbonylContact O-C 3.6Å; N354-R380 WeakPolarHBondContact O-CA 3.12Å; N354-R380 WeakPolarHBondContact OD1-CD 3.4Å; N354-R380 PolarHBondContact OD1-NE 3.41Å; N354-R380 VanDerWaalsContact OD1-NE 3.08Å; N354-R380 PolarHBondContact OD1-NH1 2.88Å; N354-R380 PolarHBondContact OD1-NH2 3.29Å; N354-G381 PolarHBondContact O-N 2.9Å
355I94.8Very high89.9Confident0 Ų053 Ų530%024%0.244CC..EExtended strand (participates in β ladder)trans-111.6123.2175.2-62.7-177.8000108.8L335 C368 I372 I379 G381 V383 I410L335-I355 HydrophobicContact CD2-CD1 3.84Å; I355-C368 PolarHBondContact N-SG 2.61Å; I355-C368 PolarHBondContact O-SG 2.88Å; I355-I372 HydrophobicContact CD1-CD1 4.17Å; I355-I372 HydrophobicContact CD1-CG2 3.5Å; I355-I372 HydrophobicContact CG1-CD1 4.46Å; I355-I379 HydrophobicContact CD1-CG2 4.47Å; I355-G381 WeakPolarHBondContact CA-O 3.47Å; I355-V383 HydrophobicContact CG2-CG2 3.73Å; I355-I410 HydrophobicContact CD1-CG2 4.43Å
356K92.6Very high89.5Confident53 Ų5353.3 Ų53.323%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-101131.9178.9-65178.9-176.2175.30109.9L310 Y358 F363 D366 G381 V382 V383L310-K356 HydrophobicContact CD1-CD 4.44Å; K356-Y358 HydrophobicContact CB-CD2 4.24Å; K356-Y358 HydrophobicContact CB-CE2 3.46Å; K356-Y358 VanDerWaalsContact CB-CE2 3.46Å; K356-Y358 HydrophobicContact CD-CE2 4.42Å; K356-F363 HydrophobicContact CB-CD2 4.36Å; K356-F363 HydrophobicContact CB-CE2 4.08Å; K356-F363 HydrophobicContact CD-CE2 4.27Å; K356-F363 HydrophobicContact CG-CE2 4.1Å; K356-D366 HydrophobicContact CG-CB 4.3Å; K356-G381 PolarHBondContact N-O 3.18Å; K356-V382 WeakPolarHBondContact O-CA 3.48Å; K356-V383 PolarHBondContact O-N 2.91Å
357L92.9Very high88.9Confident0 Ų050.5 Ų50.50%024%0.239CC..EExtended strand (participates in β ladder)trans-96.1125.1175.8-178.865.4000110I364 M365 L371 V383 L388 L403L357-I364 PolarHBondContact O-N 2.83Å; L357-M365 HydrophobicContact CB-CG 3.86Å; L357-M365 HydrophobicContact CD2-CE 4.29Å; L357-M365 HydrophobicContact CD2-CG 3.88Å; L357-M365 HydrophobicContact CD2-SD 4.05Å; L357-M365 HydrophobicContact CG-CG 4.43Å; L357-M365 PolarHBondContact N-O 2.98Å; L357-M365 PolarHBondContact O-N 3.42Å; L357-L371 HydrophobicContact CB-CD1 4.26Å; L357-V383 CarbonylContact C-O 3.56Å; L357-V383 WeakPolarHBondContact CA-O 3.49Å; L357-V383 HydrophobicContact CD1-CB 3.99Å; L357-V383 HydrophobicContact CD1-CG1 3.77Å; L357-L388 HydrophobicContact CD1-CD1 4.04Å; L357-L388 HydrophobicContact CD2-CD1 4.12Å; L357-L388 HydrophobicContact CG-CD1 4.43Å; L357-L403 HydrophobicContact CD2-CD2 3.98Å
358Y92.8Very high87.8Confident1 Ų145.4 Ų45.40%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-115.1151.1174.2-63.9-101.6000109.4F208 K356 V362 F363 V382 V383 D384 S385F208-Y358 HydrophobicContact CD2-CD1 4.07Å; F208-Y358 AromaticContact CD2-CE1 3.52Å; F208-Y358 HydrophobicContact CD2-CE1 3.52Å; F208-Y358 HydrophobicContact CD2-CE2 4.42Å; F208-Y358 AromaticContact CD2-CZ 3.72Å; F208-Y358 AromaticContact CE2-CE1 3.94Å; F208-Y358 HydrophobicContact CE2-CE1 3.94Å; F208-Y358 HydrophobicContact CE2-CE2 4.2Å; F208-Y358 AromaticContact CE2-CZ 3.62Å; F208-Y358 WeakPolarHBondContact CE2-OH 3.07Å; K356-Y358 HydrophobicContact CB-CD2 4.24Å; K356-Y358 HydrophobicContact CB-CE2 3.46Å; K356-Y358 VanDerWaalsContact CB-CE2 3.46Å; K356-Y358 HydrophobicContact CD-CE2 4.42Å; Y358-V362 CarbonylContact C-O 3.52Å; Y358-V362 WeakPolarHBondContact CA-O 3.45Å; Y358-V362 VanDerWaalsContact CD1-C 3.48Å; Y358-F363 VanDerWaalsContact CD1-CA 3.48Å; Y358-F363 HydrophobicContact CD1-CB 4.01Å; Y358-F363 VanDerWaalsContact CD1-N 3.35Å; Y358-F363 HydrophobicContact CE1-CB 3.61Å; Y358-F363 HydrophobicContact CE1-CD2 4.07Å; Y358-F363 HydrophobicContact CE1-CG 4.35Å; Y358-F363 HydrophobicContact CE2-CD2 4.4Å; Y358-F363 AromaticContact CZ-CD2 3.92Å; Y358-V382 HydrophobicContact CD2-CG1 3.53Å; Y358-V382 HydrophobicContact CE2-CB 4.49Å; Y358-V382 HydrophobicContact CE2-CG1 3.75Å; Y358-V382 HydrophobicContact CE2-CG2 4.12Å; Y358-V382 HydrophobicContact CG-CG1 4.47Å; Y358-V383 PolarHBondContact N-O 3.24Å; Y358-D384 VanDerWaalsContact C-OD1 3.29Å; Y358-D384 WeakPolarHBondContact CB-OD1 3.28Å; Y358-D384 WeakPolarHBondContact O-CA 3.34Å; Y358-S385 PolarHBondContact O-N 3.42Å
359V90.9Very high87.8Confident10 Ų1043.2 Ų43.26%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-128.4121.3168.4173.80000107.5R361 V362 I364 S385 L388 L390V359-R361 PolarHBondContact O-N 2.98Å; V359-V362 PolarHBondContact N-O 3.4Å; V359-V362 WeakPolarHBondContact O-CB 3.16Å; V359-V362 PolarHBondContact O-N 2.91Å; V359-I364 HydrophobicContact CB-CD1 4.18Å; V359-I364 HydrophobicContact CB-CG1 3.83Å; V359-I364 HydrophobicContact CG2-CD1 4.48Å; V359-I364 HydrophobicContact CG2-CG1 3.73Å; V359-S385 CarbonylContact C-O 3.55Å; V359-S385 WeakPolarHBondContact CA-O 3.35Å; V359-L388 HydrophobicContact CG1-CB 4.44Å; V359-L388 HydrophobicContact CG2-CB 3.68Å; V359-L388 HydrophobicContact CG2-CD1 3.65Å; V359-L388 HydrophobicContact CG2-CG 4.01Å; V359-L390 HydrophobicContact CB-CD1 4.15Å; V359-L390 HydrophobicContact CG1-CD1 4.03Å; V359-L390 HydrophobicContact CG1-CG 4.48Å; V359-L390 HydrophobicContact CG2-CD1 4.46Å; V359-L390 HydrophobicContact CG2-CD2 4.06Å; V359-L390 HydrophobicContact CG2-CG 4.49Å
360R89.5Confident87.8Confident37 Ų3737.4 Ų37.414%0.1418%0.18CC..THydrogen-bonded Turntrans51.743.2-174.9-52.5-175.1173.1-119.7-3.7111.1S124 M125 I126 V362 D384 S385 E386S124-R360 VanDerWaalsContact CA-NH1 3.31Å; S124-R360 VanDerWaalsContact OG-CD 3.23Å; S124-R360 WeakPolarHBondContact OG-CD 3.26Å; S124-R360 WeakPolarHBondContact OG-CG 3.34Å; S124-R360 PolarHBondContact OG-NH1 3.44Å; M125-R360 VanDerWaalsContact O-CD 3.26Å; M125-R360 WeakPolarHBondContact O-CD 3.06Å; M125-R360 PolarHBondContact O-NH1 2.94Å; I126-R360 HydrophobicContact CG1-CB 3.96Å; R360-V362 PolarHBondContact O-N 3.28Å; R360-V362 VanDerWaalsContact O-N 3.16Å; R360-D384 PolarHBondContact N-OD1 3.36Å; R360-S385 PolarHBondContact N-O 2.94Å; R360-E386 WeakPolarHBondContact CG-OE2 3.31Å; R360-E386 PolarHBondContact NE-O 2.89Å; R360-E386 PolarHBondContact NH2-O 3.24Å
361R90.9Very high88Confident45 Ų4533.7 Ų33.717%0.1716%0.164CC..THydrogen-bonded Turntrans65.17.8-177.6-51.6170.3-69.1-79.62.9115.8F208 W291 V359 D384 E386F208-R361 HydrophobicContact CB-CB 4.03Å; F208-R361 WeakPolarHBondContact O-CB 3.27Å; F208-R361 WeakPolarHBondContact O-CD 3.41Å; W291-R361 HydrophobicContact CZ2-CG 4.39Å; V359-R361 PolarHBondContact O-N 2.98Å; R361-D384 WeakPolarHBondContact CG-OD2 3.31Å; R361-D384 PolarHBondContact N-OD1 3.19Å; R361-D384 PolarHBondContact N-OD2 3.06Å; R361-E386 IonicContact NH1-OE1 3.89Å
362V89.8Confident88.3Confident7 Ų727.8 Ų27.84%0.04214%0.138CC..EExtended strand (participates in β ladder)trans-97.2132173.6-178.90000109.9R41 I126 I209 Y358 V359 R360 I364R41-V362 HydrophobicContact CG-CG1 3.95Å; I126-V362 HydrophobicContact CD1-CG2 3.53Å; I126-V362 HydrophobicContact CG1-CG2 4.08Å; I126-V362 HydrophobicContact CG2-CG2 4.2Å; I209-V362 HydrophobicContact CD1-CG2 4.15Å; Y358-V362 CarbonylContact C-O 3.52Å; Y358-V362 WeakPolarHBondContact CA-O 3.45Å; Y358-V362 VanDerWaalsContact CD1-C 3.48Å; V359-V362 PolarHBondContact N-O 3.4Å; V359-V362 WeakPolarHBondContact O-CB 3.16Å; V359-V362 PolarHBondContact O-N 2.91Å; R360-V362 PolarHBondContact O-N 3.28Å; R360-V362 VanDerWaalsContact O-N 3.16Å; V362-I364 PolarHBondContact O-N 3.11Å
363F91.5Very high88.6Confident13 Ų1326.6 Ų26.66%0.05714%0.136CC..EExtended strand (participates in β ladder)trans-65.8129.9179.2177.5-103.7000110.9K204 H205 K356 Y358 D366K204-F363 HydrophobicContact CG-CD1 4.32Å; K204-F363 HydrophobicContact CG-CE1 4.4Å; K204-F363 VanDerWaalsContact O-CB 3.25Å; K204-F363 WeakPolarHBondContact O-CB 3.36Å; K204-F363 WeakPolarHBondContact O-CG 3.32Å; H205-F363 AromaticContact ND1-CD1 3.74Å; K356-F363 HydrophobicContact CB-CD2 4.36Å; K356-F363 HydrophobicContact CB-CE2 4.08Å; K356-F363 HydrophobicContact CD-CE2 4.27Å; K356-F363 HydrophobicContact CG-CE2 4.1Å; Y358-F363 VanDerWaalsContact CD1-CA 3.48Å; Y358-F363 HydrophobicContact CD1-CB 4.01Å; Y358-F363 VanDerWaalsContact CD1-N 3.35Å; Y358-F363 HydrophobicContact CE1-CB 3.61Å; Y358-F363 HydrophobicContact CE1-CD2 4.07Å; Y358-F363 HydrophobicContact CE1-CG 4.35Å; Y358-F363 HydrophobicContact CE2-CD2 4.4Å; Y358-F363 AromaticContact CZ-CD2 3.92Å; F363-D366 HydrophobicContact CE2-CB 4.04Å; F363-D366 HydrophobicContact CZ-CB 3.87Å
364I89.9Confident88.8Confident10 Ų1026.2 Ų26.25%0.05113%0.132CC..EExtended strand (participates in β ladder)trans-111.1-58.1178.8-56.5-56.1000110.3L357 V359 V362 L390 R394L357-I364 PolarHBondContact O-N 2.83Å; V359-I364 HydrophobicContact CB-CD1 4.18Å; V359-I364 HydrophobicContact CB-CG1 3.83Å; V359-I364 HydrophobicContact CG2-CD1 4.48Å; V359-I364 HydrophobicContact CG2-CG1 3.73Å; V362-I364 PolarHBondContact O-N 3.11Å; I364-L390 HydrophobicContact CD1-CD1 3.61Å; I364-L390 HydrophobicContact CD1-CD2 4.03Å; I364-L390 HydrophobicContact CD1-CG 4.49Å; I364-L390 HydrophobicContact CG1-CD1 4.38Å; I364-L390 HydrophobicContact CG1-CD2 4.03Å; I364-L390 HydrophobicContact CG2-CD2 3.78Å; I364-R394 WeakPolarHBondContact CD1-O 3.33Å
365M87.5Confident88.9Confident23 Ų2325.6 Ų25.611%0.11313%0.128CC..EExtended strand (participates in β ladder)trans-153.4158-175.767178.674.400111.8L357 L397 L403L357-M365 HydrophobicContact CB-CG 3.86Å; L357-M365 HydrophobicContact CD2-CE 4.29Å; L357-M365 HydrophobicContact CD2-CG 3.88Å; L357-M365 HydrophobicContact CD2-SD 4.05Å; L357-M365 HydrophobicContact CG-CG 4.43Å; L357-M365 PolarHBondContact N-O 2.98Å; L357-M365 PolarHBondContact O-N 3.42Å; M365-L397 HydrophobicContact CE-CB 3.95Å; M365-L403 HydrophobicContact SD-CD1 4.35Å
366D82.5Confident89Confident25 Ų2525.6 Ų25.613%0.13413%0.128CC..  trans-119.611.5173.259.1-7000112K351 N353 K356 F363 C368K351-D366 VanDerWaalsContact CE-OD1 3.24Å; K351-D366 WeakPolarHBondContact CE-OD1 3.42Å; K351-D366 IonicContact NZ-OD1 3.28Å; K351-D366 PolarHBondContact NZ-OD1 2.88Å; K351-D366 IonicContact NZ-OD2 3.89Å; K351-D366 PolarHBondContact NZ-OD2 3.48Å; N353-D366 WeakPolarHBondContact CA-O 3.34Å; N353-D366 HydrophobicContact CB-CB 3.93Å; N353-D366 WeakPolarHBondContact CB-OD2 3.34Å; K356-D366 HydrophobicContact CG-CB 4.3Å; F363-D366 HydrophobicContact CE2-CB 4.04Å; F363-D366 HydrophobicContact CZ-CB 3.87Å; D366-C368 PolarHBondContact O-N 3.41Å; D366-C368 PolarHBondContact O-SG 2.92Å; D366-C368 VanDerWaalsContact O-SG 3.35Å
367S77.9Confident89.2Confident50 Ų5023.9 Ų23.935%0.3512%0.122SC..  trans-68.494.3-177-171.60000111.7D369S367-D369 VanDerWaalsContact C-N 3.27Å; S367-D369 PolarHBondContact O-N 3.37Å
368C69.7Low89.3Confident1 Ų123.9 Ų23.91%0.00712%0.122CC..Hα-helixtrans-73.7-17.2-176.9-66.30000113.6K352 N354 I355 D366 E370 L371 I372K352-C368 HydrophobicContact CB-CB 3.72Å; K352-C368 PolarHBondContact O-N 3.36Å; K352-C368 PolarHBondContact O-SG 3.12Å; N354-C368 PolarHBondContact N-SG 2.72Å; I355-C368 PolarHBondContact N-SG 2.61Å; I355-C368 PolarHBondContact O-SG 2.88Å; D366-C368 PolarHBondContact O-N 3.41Å; D366-C368 PolarHBondContact O-SG 2.92Å; D366-C368 VanDerWaalsContact O-SG 3.35Å; C368-E370 PolarHBondContact O-N 2.86Å; C368-E370 VanDerWaalsContact O-N 3.14Å; C368-L371 PolarHBondContact O-N 3.18Å; C368-L371 VanDerWaalsContact O-N 3.1Å; C368-I372 HydrophobicContact CB-CD1 4.13Å; C368-I372 HydrophobicContact CB-CG1 3.9Å; C368-I372 WeakPolarHBondContact O-CG1 3.22Å; C368-I372 PolarHBondContact O-N 3.23Å
369D79.9Confident89.5Confident93 Ų9323.9 Ų23.950%0.49712%0.122SC..Hα-helixtrans-54.4-36.1-175.5-74.2-36000113.1K352 S367K352-D369 WeakPolarHBondContact CD-OD1 3.42Å; K352-D369 VanDerWaalsContact CE-OD1 3.28Å; K352-D369 WeakPolarHBondContact CE-OD1 3.33Å; K352-D369 IonicContact NZ-OD1 2.66Å; K352-D369 PolarHBondContact NZ-OD1 3.45Å; S367-D369 VanDerWaalsContact C-N 3.27Å; S367-D369 PolarHBondContact O-N 3.37Å
370E84.8Confident89.8Confident79 Ų7925.6 Ų25.637%0.36913%0.127SC..Hα-helixtrans-95.5-26.6177.6-65.6-160.7171.600113.6C368 L403 R407C368-E370 PolarHBondContact O-N 2.86Å; C368-E370 VanDerWaalsContact O-N 3.14Å; E370-L403 HydrophobicContact CB-CB 4.25Å; E370-L403 HydrophobicContact CB-CD1 4.13Å; E370-L403 VanDerWaalsContact OE2-CD1 3.27Å; E370-L403 WeakPolarHBondContact OE2-CD1 3.34Å; E370-R407 WeakPolarHBondContact O-CD 3.42Å
371L89.9Confident90.1Very high0 Ų023.9 Ų23.90%012%0.121CC..Hα-helixtrans-79.4-33.3-174.2-81.5164.8000113.2L357 C368 L403 I406 R407L357-L371 HydrophobicContact CB-CD1 4.26Å; C368-L371 PolarHBondContact O-N 3.18Å; C368-L371 VanDerWaalsContact O-N 3.1Å; L371-L403 HydrophobicContact CD2-CD2 3.8Å; L371-L403 HydrophobicContact CG-CD2 4.21Å; L371-I406 HydrophobicContact CD2-CB 4.36Å; L371-I406 HydrophobicContact CD2-CG2 3.75Å; L371-R407 WeakPolarHBondContact O-CA 3.46Å; L371-R407 WeakPolarHBondContact O-CB 3.36Å; L371-R407 VanDerWaalsContact O-CG 3.25Å; L371-R407 WeakPolarHBondContact O-CG 3.47Å
372I94.2Very high90.4Very high6 Ų621.8 Ų21.83%0.03111%0.113CC..SBendtrans-138.3150.7-179.551.1170.5000111.5I355 C368 I410I355-I372 HydrophobicContact CD1-CD1 4.17Å; I355-I372 HydrophobicContact CD1-CG2 3.5Å; I355-I372 HydrophobicContact CG1-CD1 4.46Å; C368-I372 HydrophobicContact CB-CD1 4.13Å; C368-I372 HydrophobicContact CB-CG1 3.9Å; C368-I372 WeakPolarHBondContact O-CG1 3.22Å; C368-I372 PolarHBondContact O-N 3.23Å; I372-I410 HydrophobicContact CG2-CG2 3.75Å
373P95Very high90.7Very high25 Ų2521.4 Ų21.416%0.16211%0.111CC..  trans-71.6155.9169.932.6-35.9000111.2Y375 L376 V411P373-Y375 VanDerWaalsContact C-N 3.26Å; P373-Y375 HydrophobicContact CB-CD1 3.62Å; P373-Y375 HydrophobicContact CB-CE1 3.44Å; P373-Y375 VanDerWaalsContact CB-CE1 3.44Å; P373-Y375 HydrophobicContact CG-CD1 3.78Å; P373-Y375 HydrophobicContact CG-CE1 3.31Å; P373-Y375 HydrophobicContact CG-CE2 4.42Å; P373-Y375 HydrophobicContact CG-CG 4.5Å; P373-Y375 PolarHBondContact O-N 2.86Å; P373-L376 HydrophobicContact CG-CB 4.18Å; P373-L376 HydrophobicContact CG-CD1 3.83Å; P373-L376 HydrophobicContact CG-CG 3.89Å; P373-L376 PolarHBondContact O-N 3.35Å; P373-V411 HydrophobicContact CG-CG2 3.76Å
374E93.7Very high90.8Very high57 Ų5721 Ų2127%0.26611%0.109SC..G310 helixtrans-56.4-40.3-176-16858.9-141.800112.7K352 L376 N377 L441K352-E374 WeakPolarHBondContact CE-OE2 3.19Å; K352-E374 IonicContact NZ-OE1 2.69Å; K352-E374 IonicContact NZ-OE2 3.86Å; K352-E374 PolarHBondContact NZ-OE2 3.05Å; E374-L376 PolarHBondContact O-N 2.66Å; E374-N377 WeakPolarHBondContact O-CB 3.21Å; E374-N377 PolarHBondContact O-N 3.37Å; E374-N377 PolarHBondContact OE1-ND2 3.16Å; E374-L441 HydrophobicContact CG-CD2 4.43Å
375Y96.6Very high90.9Very high2 Ų220.6 Ų20.61%0.00811%0.107CC..G310 helixtrans-63.6-16.3179.576.1-95.2000114P373 F378 N438 G442 D446 L453P373-Y375 VanDerWaalsContact C-N 3.26Å; P373-Y375 HydrophobicContact CB-CD1 3.62Å; P373-Y375 HydrophobicContact CB-CE1 3.44Å; P373-Y375 VanDerWaalsContact CB-CE1 3.44Å; P373-Y375 HydrophobicContact CG-CD1 3.78Å; P373-Y375 HydrophobicContact CG-CE1 3.31Å; P373-Y375 HydrophobicContact CG-CE2 4.42Å; P373-Y375 HydrophobicContact CG-CG 4.5Å; P373-Y375 PolarHBondContact O-N 2.86Å; Y375-F378 WeakPolarHBondContact O-CE1 3.35Å; Y375-N438 WeakPolarHBondContact CB-O 3.48Å; Y375-N438 VanDerWaalsContact O-CB 3.31Å; Y375-N438 WeakPolarHBondContact O-CB 3.48Å; Y375-N438 PolarHBondContact O-ND2 2.96Å; Y375-G442 VanDerWaalsContact CG-CA 3.4Å; Y375-D446 HydrophobicContact CD1-CB 4.43Å; Y375-D446 HydrophobicContact CE1-CB 3.68Å; Y375-D446 PolarHBondContact OH-OD2 3.37Å; Y375-L453 HydrophobicContact CE2-CD1 4.22Å; Y375-L453 HydrophobicContact CE2-CD2 4.23Å
376L97.1Very high90.8Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..G310 helixtrans-100.69.2174.1-63.1-177000113.4P373 E374 F378 I379 V411 C414 F418P373-L376 HydrophobicContact CG-CB 4.18Å; P373-L376 HydrophobicContact CG-CD1 3.83Å; P373-L376 HydrophobicContact CG-CG 3.89Å; P373-L376 PolarHBondContact O-N 3.35Å; E374-L376 PolarHBondContact O-N 2.66Å; L376-F378 HydrophobicContact CD2-CE1 4.29Å; L376-F378 PolarHBondContact O-N 3.1Å; L376-I379 HydrophobicContact CB-CD1 4.24Å; L376-I379 HydrophobicContact CD2-CD1 4.05Å; L376-I379 HydrophobicContact CG-CD1 4.5Å; L376-I379 PolarHBondContact O-N 3.14Å; L376-V411 HydrophobicContact CD1-CB 4.45Å; L376-V411 HydrophobicContact CD1-CG2 3.92Å; L376-C414 HydrophobicContact CD1-CB 4Å; L376-F418 HydrophobicContact CD2-CE2 3.71Å; L376-F418 HydrophobicContact CD2-CZ 3.74Å
377N95.4Very high90.8Very high16 Ų1626.7 Ų26.79%0.08614%0.138CC..THydrogen-bonded Turntrans-71.834.8-176.9-167.327.4000114.4L345 K352 N354 E374L345-N377 WeakPolarHBondContact CD1-O 3.04Å; K352-N377 WeakPolarHBondContact CD-ND2 3.37Å; N354-N377 PolarHBondContact ND2-O 3.35Å; N354-N377 PolarHBondContact ND2-OD1 3.49Å; E374-N377 WeakPolarHBondContact O-CB 3.21Å; E374-N377 PolarHBondContact O-N 3.37Å; E374-N377 PolarHBondContact OE1-ND2 3.16Å
378F96.1Very high91.2Very high1 Ų124.9 Ų24.90%0.00413%0.125CC..THydrogen-bonded Turntrans-121.8-23.7167.462.2-86.9000111.7I337 L345 Y375 L376 R380 F418 F431 F435 N438I337-F378 HydrophobicContact CG2-CE2 4.29Å; L345-F378 HydrophobicContact CD1-CB 3.82Å; Y375-F378 WeakPolarHBondContact O-CE1 3.35Å; L376-F378 HydrophobicContact CD2-CE1 4.29Å; L376-F378 PolarHBondContact O-N 3.1Å; F378-R380 PolarHBondContact O-N 2.65Å; F378-R380 PolarHBondContact O-NH1 3.45Å; F378-F418 HydrophobicContact CE2-CE1 4.46Å; F378-F418 HydrophobicContact CE2-CZ 4.43Å; F378-F418 HydrophobicContact CZ-CE1 4.15Å; F378-F418 AromaticContact CZ-CZ 3.73Å; F378-F418 HydrophobicContact CZ-CZ 3.73Å; F378-F431 HydrophobicContact CE2-CE2 4.03Å; F378-F431 HydrophobicContact CZ-CE2 4.11Å; F378-F435 HydrophobicContact CB-CD1 3.88Å; F378-F435 HydrophobicContact CB-CE1 3.54Å; F378-F435 HydrophobicContact CB-CZ 4.39Å; F378-F435 HydrophobicContact CD1-CD1 4.04Å; F378-F435 AromaticContact CD2-CD1 3.65Å; F378-F435 HydrophobicContact CD2-CD1 3.65Å; F378-F435 HydrophobicContact CD2-CD2 4.28Å; F378-F435 AromaticContact CD2-CE1 3.61Å; F378-F435 HydrophobicContact CD2-CE1 3.61Å; F378-F435 HydrophobicContact CD2-CE2 4.25Å; F378-F435 AromaticContact CD2-CG 3.99Å; F378-F435 HydrophobicContact CD2-CG 3.99Å; F378-F435 AromaticContact CD2-CZ 3.92Å; F378-F435 HydrophobicContact CD2-CZ 3.92Å; F378-F435 HydrophobicContact CE1-CD1 4.48Å; F378-F435 HydrophobicContact CE2-CD1 4.14Å; F378-F435 HydrophobicContact CE2-CD2 4.23Å; F378-F435 HydrophobicContact CE2-CE1 4.44Å; F378-F435 HydrophobicContact CE2-CG 4.03Å; F378-F435 AromaticContact CG-CD1 3.58Å; F378-F435 HydrophobicContact CG-CD1 3.58Å; F378-F435 AromaticContact CG-CE1 3.65Å; F378-F435 HydrophobicContact CG-CE1 3.65Å; F378-F435 HydrophobicContact CG-CG 4.29Å; F378-F435 HydrophobicContact CG-CZ 4.4Å; F378-F435 HydrophobicContact CZ-CB 4.35Å; F378-F435 HydrophobicContact CZ-CG 4.34Å; F378-N438 HydrophobicContact CD1-CB 3.98Å; F378-N438 HydrophobicContact CE1-CB 3.76Å
379I97.3Very high91.8Very high1 Ų127.1 Ų27.11%0.00514%0.139CC..  trans-66.2122.8-179.2-62.9-178.4000109L335 F336 N354 I355 L376 C414 F418L335-I379 HydrophobicContact CB-CG2 3.92Å; L335-I379 HydrophobicContact CD2-CG2 4.14Å; F336-I379 WeakPolarHBondContact O-CA 3.49Å; N354-I379 WeakPolarHBondContact CB-O 3.34Å; I355-I379 HydrophobicContact CD1-CG2 4.47Å; L376-I379 HydrophobicContact CB-CD1 4.24Å; L376-I379 HydrophobicContact CD2-CD1 4.05Å; L376-I379 HydrophobicContact CG-CD1 4.5Å; L376-I379 PolarHBondContact O-N 3.14Å; I379-C414 HydrophobicContact CD1-CB 3.8Å; I379-C414 WeakPolarHBondContact CD1-SG 3.08Å; I379-F418 HydrophobicContact CD1-CE1 4.4Å; I379-F418 HydrophobicContact CD1-CZ 3.99Å
380R97Very high92Very high46 Ų4623.6 Ų23.617%0.17412%0.12CC..EExtended strand (participates in β ladder)trans-93.4148.5175.1-61.5-60.6-159.4-85.75.7109.4Y307 T311 L335 F336 P338 N354 F378Y307-R380 HydrophobicContact CE2-CB 4.38Å; T311-R380 HydrophobicContact CG2-CB 3.97Å; T311-R380 HydrophobicContact CG2-CG 3.84Å; L335-R380 CarbonylContact C-O 3.56Å; F336-R380 HydrophobicContact CB-CB 4.4Å; F336-R380 PolarHBondContact N-O 2.91Å; F336-R380 PolarHBondContact O-N 3.11Å; P338-R380 HydrophobicContact CG-CG 4.2Å; N354-R380 CarbonylContact O-C 3.6Å; N354-R380 WeakPolarHBondContact O-CA 3.12Å; N354-R380 WeakPolarHBondContact OD1-CD 3.4Å; N354-R380 PolarHBondContact OD1-NE 3.41Å; N354-R380 VanDerWaalsContact OD1-NE 3.08Å; N354-R380 PolarHBondContact OD1-NH1 2.88Å; N354-R380 PolarHBondContact OD1-NH2 3.29Å; F378-R380 PolarHBondContact O-N 2.65Å; F378-R380 PolarHBondContact O-NH1 3.45Å
381G96.2Very high92Very high0 Ų021.5 Ų21.50%011%0.112CC..EExtended strand (participates in β ladder)trans177.6-179.817800000116.6L334 N354 I355 K356L334-G381 CarbonylContact O-C 3.56Å; L334-G381 WeakPolarHBondContact O-CA 3.38Å; N354-G381 PolarHBondContact O-N 2.9Å; I355-G381 WeakPolarHBondContact CA-O 3.47Å; K356-G381 PolarHBondContact N-O 3.18Å
382V96Very high91.7Very high1 Ų124.9 Ų24.91%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-130135.9176.5174.40000108W291 F306 L310 A333 L334 K356 Y358W291-V382 HydrophobicContact CD2-CG1 4.32Å; W291-V382 HydrophobicContact CE3-CB 4.42Å; W291-V382 HydrophobicContact CE3-CG1 4Å; W291-V382 HydrophobicContact CH2-CG1 3.79Å; W291-V382 HydrophobicContact CZ2-CG1 4.12Å; W291-V382 HydrophobicContact CZ3-CB 4.27Å; W291-V382 HydrophobicContact CZ3-CG1 3.75Å; W291-V382 HydrophobicContact CZ3-CG2 4.4Å; F306-V382 HydrophobicContact CZ-CG2 4.16Å; L310-V382 HydrophobicContact CD1-CG2 3.9Å; L310-V382 HydrophobicContact CD2-CG2 3.97Å; A333-V382 WeakPolarHBondContact CA-O 3.5Å; A333-V382 WeakPolarHBondContact CB-O 3.49Å; L334-V382 PolarHBondContact N-O 3.16Å; L334-V382 PolarHBondContact O-N 3.29Å; K356-V382 WeakPolarHBondContact O-CA 3.48Å; Y358-V382 HydrophobicContact CD2-CG1 3.53Å; Y358-V382 HydrophobicContact CE2-CB 4.49Å; Y358-V382 HydrophobicContact CE2-CG1 3.75Å; Y358-V382 HydrophobicContact CE2-CG2 4.12Å; Y358-V382 HydrophobicContact CG-CG1 4.47Å
383V96.1Very high91.1Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-120123.6168.4178.80000106.3F331 A333 I355 K356 L357 Y358 I406 I410F331-V383 HydrophobicContact CB-CG1 4.47Å; F331-V383 HydrophobicContact CD2-CG1 3.75Å; F331-V383 HydrophobicContact CE2-CG1 4.29Å; F331-V383 HydrophobicContact CG-CG1 4.31Å; A333-V383 HydrophobicContact CB-CG2 4.07Å; I355-V383 HydrophobicContact CG2-CG2 3.73Å; K356-V383 PolarHBondContact O-N 2.91Å; L357-V383 CarbonylContact C-O 3.56Å; L357-V383 WeakPolarHBondContact CA-O 3.49Å; L357-V383 HydrophobicContact CD1-CB 3.99Å; L357-V383 HydrophobicContact CD1-CG1 3.77Å; Y358-V383 PolarHBondContact N-O 3.24Å; V383-I406 HydrophobicContact CG1-CG2 4.2Å; V383-I410 HydrophobicContact CG2-CD1 3.83Å
384D94.8Very high90.5Very high4 Ų424.8 Ų24.82%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-125.5132.9177.7-170.126.8000109.9W291 F331 R332 Y358 R360 R361W291-D384 HydrophobicContact CZ2-CB 4.1Å; W291-D384 PolarHBondContact NE1-OD2 3.46Å; F331-D384 CarbonylContact C-O 3.58Å; F331-D384 VanDerWaalsContact CA-O 3.27Å; F331-D384 WeakPolarHBondContact CA-O 3.35Å; F331-D384 VanDerWaalsContact CB-O 3.29Å; F331-D384 WeakPolarHBondContact CB-O 3.39Å; R332-D384 PolarHBondContact N-O 2.96Å; R332-D384 PolarHBondContact O-N 3.32Å; Y358-D384 VanDerWaalsContact C-OD1 3.29Å; Y358-D384 WeakPolarHBondContact CB-OD1 3.28Å; Y358-D384 WeakPolarHBondContact O-CA 3.34Å; R360-D384 PolarHBondContact N-OD1 3.36Å; R361-D384 WeakPolarHBondContact CG-OD2 3.31Å; R361-D384 PolarHBondContact N-OD1 3.19Å; R361-D384 PolarHBondContact N-OD2 3.06Å
385S91.8Very high90Very high1 Ų124.1 Ų24.11%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-132.3145.7-177.8-178.30000110.5E330 Y358 V359 R360 L388E330-S385 WeakPolarHBondContact O-CB 3.37Å; E330-S385 PolarHBondContact O-OG 2.87Å; Y358-S385 PolarHBondContact O-N 3.42Å; V359-S385 CarbonylContact C-O 3.55Å; V359-S385 WeakPolarHBondContact CA-O 3.35Å; R360-S385 PolarHBondContact N-O 2.94Å; S385-L388 WeakPolarHBondContact OG-CG 3.32Å
386E85.8Confident89.3Confident57 Ų5730 Ų3027%0.26615%0.152SC..SBendtrans-90.6-19.9-178.4-62.2-66.6162.100112.3S124 R360 R361S124-E386 VanDerWaalsContact CB-OE2 3.25Å; S124-E386 WeakPolarHBondContact CB-OE2 3.27Å; S124-E386 PolarHBondContact OG-OE2 3.43Å; R360-E386 WeakPolarHBondContact CG-OE2 3.31Å; R360-E386 PolarHBondContact NE-O 2.89Å; R360-E386 PolarHBondContact NH2-O 3.24Å; R361-E386 IonicContact NH1-OE1 3.89Å
387D81.4Confident88.6Confident120 Ų12030.8 Ų30.864%0.64216%0.156SC*.  trans-137.357.1-167.5-165.122.7000113.3
388L85.6Confident87.7Confident12 Ų1235.9 Ų35.96%0.06318%0.179CC..  trans-99.7132.7173.2-73.6-171.3000112.2L329 L357 V359 S385 L390 L397 I402L329-L388 HydrophobicContact CD1-CD2 3.56Å; L357-L388 HydrophobicContact CD1-CD1 4.04Å; L357-L388 HydrophobicContact CD2-CD1 4.12Å; L357-L388 HydrophobicContact CG-CD1 4.43Å; V359-L388 HydrophobicContact CG1-CB 4.44Å; V359-L388 HydrophobicContact CG2-CB 3.68Å; V359-L388 HydrophobicContact CG2-CD1 3.65Å; V359-L388 HydrophobicContact CG2-CG 4.01Å; S385-L388 WeakPolarHBondContact OG-CG 3.32Å; L388-L390 PolarHBondContact O-N 3.46Å; L388-L397 HydrophobicContact CB-CD1 3.73Å; L388-L397 HydrophobicContact CD1-CD1 4.22Å; L388-L397 HydrophobicContact CD2-CD1 4.34Å; L388-L397 HydrophobicContact CG-CD1 4.31Å; L388-I402 HydrophobicContact CD2-CG2 3.64Å
389P83.9Confident86.9Confident47 Ų4741.1 Ų41.131%0.30520%0.204SC..  trans-74.291.9175.830-34.8000111.1L397 Q398 I402P389-L397 HydrophobicContact CG-CD1 4.36Å; P389-L397 VanDerWaalsContact O-CD1 3.31Å; P389-L397 WeakPolarHBondContact O-CD1 3.45Å; P389-Q398 PolarHBondContact O-N 3.42Å; P389-I402 HydrophobicContact CG-CD1 3.54Å
390L84.3Confident85.9Confident20 Ų2043.7 Ų43.711%0.10522%0.222CC..BIsolated β-bridgetrans-76.7149.1178.1-64179.6000112.4V359 I364 L388 R394 L397 Q398V359-L390 HydrophobicContact CB-CD1 4.15Å; V359-L390 HydrophobicContact CG1-CD1 4.03Å; V359-L390 HydrophobicContact CG1-CG 4.48Å; V359-L390 HydrophobicContact CG2-CD1 4.46Å; V359-L390 HydrophobicContact CG2-CD2 4.06Å; V359-L390 HydrophobicContact CG2-CG 4.49Å; I364-L390 HydrophobicContact CD1-CD1 3.61Å; I364-L390 HydrophobicContact CD1-CD2 4.03Å; I364-L390 HydrophobicContact CD1-CG 4.49Å; I364-L390 HydrophobicContact CG1-CD1 4.38Å; I364-L390 HydrophobicContact CG1-CD2 4.03Å; I364-L390 HydrophobicContact CG2-CD2 3.78Å; L388-L390 PolarHBondContact O-N 3.46Å; L390-R394 HydrophobicContact CD1-CB 4.34Å; L390-R394 HydrophobicContact CD1-CG 4.31Å; L390-L397 HydrophobicContact CD2-CD1 4.29Å; L390-Q398 PolarHBondContact O-NE2 2.75Å
391N84.3Confident85.3Confident35 Ų3549.2 Ų49.219%0.18725%0.247CC..  trans-70.4172.5168.377-17.7000111.1S393 R394 E395 M396 Q398N391-S393 VanDerWaalsContact C-N 3.25Å; N391-S393 PolarHBondContact ND2-OG 3.04Å; N391-S393 PolarHBondContact O-N 2.97Å; N391-S393 PolarHBondContact OD1-N 2.99Å; N391-S393 PolarHBondContact OD1-OG 3.45Å; N391-R394 PolarHBondContact O-N 2.98Å; N391-R394 VanDerWaalsContact O-N 3.08Å; N391-R394 WeakPolarHBondContact OD1-CA 3.3Å; N391-R394 PolarHBondContact OD1-N 3.24Å; N391-E395 PolarHBondContact OD1-N 3.28Å; N391-M396 WeakPolarHBondContact CB-O 3.41Å; N391-M396 PolarHBondContact N-O 3.25Å; N391-M396 PolarHBondContact OD1-N 2.85Å; N391-M396 PolarHBondContact OD1-O 3.46Å; N391-Q398 HydrophobicContact CB-CG 4.09Å
392I82.8Confident85Confident71 Ų7150.5 Ų50.536%0.36425%0.254SS..THydrogen-bonded Turntrans-63.1-30.8-177.6-164149.6000113.3F32 V131 R394F32-I392 HydrophobicContact CD2-CD1 3.84Å; F32-I392 HydrophobicContact CD2-CG1 3.95Å; F32-I392 HydrophobicContact CD2-CG2 4.33Å; F32-I392 HydrophobicContact CE2-CD1 3.42Å; F32-I392 VanDerWaalsContact CE2-CD1 3.42Å; F32-I392 HydrophobicContact CE2-CG1 4.07Å; F32-I392 HydrophobicContact CG-CG2 4.45Å; F32-I392 HydrophobicContact CZ-CD1 4.18Å; V131-I392 HydrophobicContact CG2-CD1 4.48Å; V131-I392 HydrophobicContact CG2-CG1 4.22Å; I392-R394 VanDerWaalsContact C-N 3.3Å; I392-R394 PolarHBondContact O-N 3.05Å
393S82.2Confident84.6Confident9 Ų950.9 Ų50.96%0.06326%0.256CS..THydrogen-bonded Turntrans-77.4-15.3177.677.60000113.5F32 R41 N391 E395F32-S393 WeakPolarHBondContact O-CB 3.29Å; R41-S393 PolarHBondContact NH2-O 3.03Å; N391-S393 VanDerWaalsContact C-N 3.25Å; N391-S393 PolarHBondContact ND2-OG 3.04Å; N391-S393 PolarHBondContact O-N 2.97Å; N391-S393 PolarHBondContact OD1-N 2.99Å; N391-S393 PolarHBondContact OD1-OG 3.45Å; S393-E395 PolarHBondContact O-N 3.44Å; S393-E395 PolarHBondContact OG-N 2.9Å
394R83.2Confident84.3Confident20 Ų2055.9 Ų55.98%0.07528%0.278CS..SBendtrans57.724.5-172.7-56.2170.4170.9-127.4-16.2114I126 F129 I364 L390 N391 I392I126-R394 VanDerWaalsContact O-CZ 3.32Å; I126-R394 PolarHBondContact O-NH1 2.89Å; I126-R394 PolarHBondContact O-NH2 3.31Å; F129-R394 VanDerWaalsContact CD2-NH2 3.32Å; F129-R394 HydrophobicContact CE2-CG 4.04Å; I364-R394 WeakPolarHBondContact CD1-O 3.33Å; L390-R394 HydrophobicContact CD1-CB 4.34Å; L390-R394 HydrophobicContact CD1-CG 4.31Å; N391-R394 PolarHBondContact O-N 2.98Å; N391-R394 VanDerWaalsContact O-N 3.08Å; N391-R394 WeakPolarHBondContact OD1-CA 3.3Å; N391-R394 PolarHBondContact OD1-N 3.24Å; I392-R394 VanDerWaalsContact C-N 3.3Å; I392-R394 PolarHBondContact O-N 3.05Å
395E83.1Confident84.2Confident42 Ų4259.1 Ų59.120%0.19630%0.298CS..SBendtrans-106.9-17.7176.7-59.8-176.5134.300111.9S34 I38 N391 S393S34-E395 PolarHBondContact OG-OE2 3.31Å; I38-E395 WeakPolarHBondContact CG2-OE1 3.41Å; N391-E395 PolarHBondContact OD1-N 3.28Å; S393-E395 PolarHBondContact O-N 3.44Å; S393-E395 PolarHBondContact OG-N 2.9Å
396M80.9Confident84.2Confident126 Ų12659.1 Ų59.162%0.62130%0.297SS*.SBendtrans-135.4150.8-179.5-60.7-177.972.100111.5N391N391-M396 WeakPolarHBondContact CB-O 3.41Å; N391-M396 PolarHBondContact N-O 3.25Å; N391-M396 PolarHBondContact OD1-N 2.85Å; N391-M396 PolarHBondContact OD1-O 3.46Å
397L82.2Confident84.7Confident18 Ų1860.3 Ų60.39%0.09430%0.3CS..BIsolated β-bridgetrans-83.2136.5172.6-166.270.8000109.6M365 L388 P389 L390 Q399 I402 L403M365-L397 HydrophobicContact CE-CB 3.95Å; L388-L397 HydrophobicContact CB-CD1 3.73Å; L388-L397 HydrophobicContact CD1-CD1 4.22Å; L388-L397 HydrophobicContact CD2-CD1 4.34Å; L388-L397 HydrophobicContact CG-CD1 4.31Å; P389-L397 HydrophobicContact CG-CD1 4.36Å; P389-L397 VanDerWaalsContact O-CD1 3.31Å; P389-L397 WeakPolarHBondContact O-CD1 3.45Å; L390-L397 HydrophobicContact CD2-CD1 4.29Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 WeakPolarHBondContact CD2-O 3.38Å; L397-Q399 PolarHBondContact O-N 3.2Å; L397-I402 HydrophobicContact CD2-CB 3.83Å; L397-I402 HydrophobicContact CD2-CD1 4.36Å; L397-I402 HydrophobicContact CD2-CG2 4.11Å; L397-L403 HydrophobicContact CD2-CD2 4.06Å; L397-L403 HydrophobicContact CD2-CG 3.88Å
398Q77.6Confident85.3Confident122 Ų12262 Ų6257%0.5730%0.301SS*.SBendtrans-68.2-29.3-179.4-63.5-175.55.700112.8P389 L390 N391P389-Q398 PolarHBondContact O-N 3.42Å; L390-Q398 PolarHBondContact O-NE2 2.75Å; N391-Q398 HydrophobicContact CB-CG 4.09Å
399Q77.9Confident85.8Confident112 Ų11263.7 Ų63.752%0.52331%0.31SS..  trans-122.999.5-174.3-63.6-169.9-0.700112.5L397 K401 I402L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 WeakPolarHBondContact CD2-O 3.38Å; L397-Q399 PolarHBondContact O-N 3.2Å; Q399-K401 PolarHBondContact O-N 2.81Å; Q399-I402 HydrophobicContact CB-CD1 4.1Å; Q399-I402 HydrophobicContact CB-CG1 4.31Å; Q399-I402 PolarHBondContact O-N 2.91Å; Q399-I402 VanDerWaalsContact O-N 3.13Å
400S76.4Confident86.4Confident55 Ų5561.5 Ų61.539%0.38530%0.296SS..Hα-helixtrans-61.1-18.2177.662.10000114.6I402 L403 K404S400-I402 PolarHBondContact O-N 3.29Å; S400-L403 PolarHBondContact O-N 3.38Å; S400-K404 PolarHBondContact O-N 3.41Å
401K86Confident87Confident161 Ų16160.9 Ų60.970%0.729%0.293SS*.Hα-helixtrans-60.2-32.6174.8-68.7-177.1-177.5175.60112.5Q399 K404 V405Q399-K401 PolarHBondContact O-N 2.81Å; K401-K404 WeakPolarHBondContact O-CB 3.46Å; K401-K404 PolarHBondContact O-N 3.16Å; K401-V405 PolarHBondContact O-N 2.9Å
402I87.9Confident87.7Confident27 Ų2764 Ų6414%0.13831%0.305CS..Hα-helixtrans-66-43.1178.7-63.7172.7000110.2L329 L388 P389 L397 Q399 S400 K404 V405 I406L329-I402 HydrophobicContact CD1-CG2 3.63Å; L329-I402 HydrophobicContact CD2-CG2 3.81Å; L329-I402 HydrophobicContact CG-CG2 4.39Å; L388-I402 HydrophobicContact CD2-CG2 3.64Å; P389-I402 HydrophobicContact CG-CD1 3.54Å; L397-I402 HydrophobicContact CD2-CB 3.83Å; L397-I402 HydrophobicContact CD2-CD1 4.36Å; L397-I402 HydrophobicContact CD2-CG2 4.11Å; Q399-I402 HydrophobicContact CB-CD1 4.1Å; Q399-I402 HydrophobicContact CB-CG1 4.31Å; Q399-I402 PolarHBondContact O-N 2.91Å; Q399-I402 VanDerWaalsContact O-N 3.13Å; S400-I402 PolarHBondContact O-N 3.29Å; I402-K404 PolarHBondContact O-N 3.21Å; I402-V405 WeakPolarHBondContact O-CA 3.45Å; I402-V405 WeakPolarHBondContact O-CB 3.47Å; I402-V405 PolarHBondContact O-N 3.01Å; I402-I406 HydrophobicContact CG2-CD1 4.06Å; I402-I406 HydrophobicContact CG2-CG1 4.4Å; I402-I406 WeakPolarHBondContact O-CG1 3.47Å; I402-I406 PolarHBondContact O-N 2.99Å
403L88.6Confident88.4Confident10 Ų1063.3 Ų63.35%0.05230%0.299CS..Hα-helixtrans-58.5-36.3176.8-63.4175.6000111.8L357 M365 E370 L371 L397 S400 V405 I406 R407L357-L403 HydrophobicContact CD2-CD2 3.98Å; M365-L403 HydrophobicContact SD-CD1 4.35Å; E370-L403 HydrophobicContact CB-CB 4.25Å; E370-L403 HydrophobicContact CB-CD1 4.13Å; E370-L403 VanDerWaalsContact OE2-CD1 3.27Å; E370-L403 WeakPolarHBondContact OE2-CD1 3.34Å; L371-L403 HydrophobicContact CD2-CD2 3.8Å; L371-L403 HydrophobicContact CG-CD2 4.21Å; L397-L403 HydrophobicContact CD2-CD2 4.06Å; L397-L403 HydrophobicContact CD2-CG 3.88Å; S400-L403 PolarHBondContact O-N 3.38Å; L403-V405 VanDerWaalsContact C-N 3.33Å; L403-V405 PolarHBondContact O-N 2.83Å; L403-I406 HydrophobicContact CD2-CD1 4.47Å; L403-I406 PolarHBondContact O-N 3.5Å; L403-R407 WeakPolarHBondContact O-CB 3.4Å; L403-R407 PolarHBondContact O-N 2.82Å
404K89.9Confident89.2Confident105 Ų10563 Ų6346%0.45730%0.297SS..Hα-helixtrans-65.3-33.5174.4-64.4-179.7-178.4177.30113.2S400 K401 I402 K408S400-K404 PolarHBondContact O-N 3.41Å; K401-K404 WeakPolarHBondContact O-CB 3.46Å; K401-K404 PolarHBondContact O-N 3.16Å; I402-K404 PolarHBondContact O-N 3.21Å; K404-K408 WeakPolarHBondContact O-CG 3.45Å; K404-K408 PolarHBondContact O-N 2.92Å
405V92.1Very high89.9Confident72 Ų7262.1 Ų62.144%0.43629%0.294SS..Hα-helixtrans-71.8-46.7175.8177.80000110L329 K401 I402 L403 R407 K408 N409L329-V405 HydrophobicContact CD2-CB 4.32Å; L329-V405 HydrophobicContact CD2-CG1 4.08Å; K401-V405 PolarHBondContact O-N 2.9Å; I402-V405 WeakPolarHBondContact O-CA 3.45Å; I402-V405 WeakPolarHBondContact O-CB 3.47Å; I402-V405 PolarHBondContact O-N 3.01Å; L403-V405 VanDerWaalsContact C-N 3.33Å; L403-V405 PolarHBondContact O-N 2.83Å; V405-R407 VanDerWaalsContact C-N 3.3Å; V405-R407 PolarHBondContact O-N 2.82Å; V405-K408 PolarHBondContact O-N 2.96Å; V405-N409 PolarHBondContact O-N 2.82Å; V405-N409 VanDerWaalsContact O-N 3.17Å
406I93.1Very high90.6Very high0 Ų062.5 Ų62.50%030%0.296CS..Hα-helixtrans-54.7-49.2173.9-64.4176.6000109.9L329 F331 L371 V383 I402 L403 K408 N409 I410L329-I406 HydrophobicContact CD2-CD1 4.3Å; L329-I406 HydrophobicContact CD2-CG1 3.62Å; F331-I406 HydrophobicContact CD1-CG1 4.4Å; F331-I406 HydrophobicContact CE1-CG1 4.11Å; F331-I406 HydrophobicContact CE2-CG2 4.42Å; F331-I406 HydrophobicContact CZ-CG1 4.45Å; F331-I406 HydrophobicContact CZ-CG2 4.27Å; L371-I406 HydrophobicContact CD2-CB 4.36Å; L371-I406 HydrophobicContact CD2-CG2 3.75Å; V383-I406 HydrophobicContact CG1-CG2 4.2Å; I402-I406 HydrophobicContact CG2-CD1 4.06Å; I402-I406 HydrophobicContact CG2-CG1 4.4Å; I402-I406 WeakPolarHBondContact O-CG1 3.47Å; I402-I406 PolarHBondContact O-N 2.99Å; L403-I406 HydrophobicContact CD2-CD1 4.47Å; L403-I406 PolarHBondContact O-N 3.5Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 3.3Å; I406-N409 PolarHBondContact O-N 3.01Å; I406-N409 VanDerWaalsContact O-N 3.1Å; I406-I410 HydrophobicContact CG2-CD1 3.58Å; I406-I410 HydrophobicContact CG2-CG1 4.16Å; I406-I410 WeakPolarHBondContact O-CG1 3.44Å; I406-I410 PolarHBondContact O-N 3.26Å
407R94.8Very high91.4Very high83 Ų8357 Ų5731%0.31327%0.268SS..Hα-helixtrans-54.1-46.5177.3-179.5172.869.5-169.210.5112.8E370 L371 L403 V405 N409 I410 V411E370-R407 WeakPolarHBondContact O-CD 3.42Å; L371-R407 WeakPolarHBondContact O-CA 3.46Å; L371-R407 WeakPolarHBondContact O-CB 3.36Å; L371-R407 VanDerWaalsContact O-CG 3.25Å; L371-R407 WeakPolarHBondContact O-CG 3.47Å; L403-R407 WeakPolarHBondContact O-CB 3.4Å; L403-R407 PolarHBondContact O-N 2.82Å; V405-R407 VanDerWaalsContact C-N 3.3Å; V405-R407 PolarHBondContact O-N 2.82Å; R407-N409 VanDerWaalsContact C-N 3.31Å; R407-N409 PolarHBondContact O-N 2.67Å; R407-I410 PolarHBondContact O-N 2.88Å; R407-V411 HydrophobicContact CG-CG2 4.23Å; R407-V411 WeakPolarHBondContact O-CB 3.43Å; R407-V411 VanDerWaalsContact O-CG2 3.22Å; R407-V411 WeakPolarHBondContact O-CG2 3.4Å; R407-V411 PolarHBondContact O-N 3.41Å
408K94.7Very high92.2Very high156 Ų15656.1 Ų56.168%0.67826%0.264SS*.Hα-helixtrans-60.6-41.7179-77179.7177.4-1750111.8K404 V405 I406 K412K404-K408 WeakPolarHBondContact O-CG 3.45Å; K404-K408 PolarHBondContact O-N 2.92Å; V405-K408 PolarHBondContact O-N 2.96Å; I406-K408 VanDerWaalsContact C-N 3.34Å; I406-K408 PolarHBondContact O-N 3.3Å; K408-K412 WeakPolarHBondContact O-CB 3.45Å; K408-K412 PolarHBondContact O-N 3.02Å
409N95.9Very high93.1Very high47 Ų4752.8 Ų52.825%0.25125%0.254SS..Hα-helixtrans-69.1-43.8178.5-72.6-23.1000111.8V325 F331 V405 I406 R407 K412 K413V325-N409 HydrophobicContact CG2-CB 4.31Å; F331-N409 HydrophobicContact CZ-CB 3.94Å; V405-N409 PolarHBondContact O-N 2.82Å; V405-N409 VanDerWaalsContact O-N 3.17Å; I406-N409 PolarHBondContact O-N 3.01Å; I406-N409 VanDerWaalsContact O-N 3.1Å; R407-N409 VanDerWaalsContact C-N 3.31Å; R407-N409 PolarHBondContact O-N 2.67Å; N409-K412 PolarHBondContact O-N 3.35Å; N409-K413 WeakPolarHBondContact O-CG 3.48Å; N409-K413 PolarHBondContact O-N 3Å
410I96.7Very high94Very high0 Ų051.5 Ų51.50%025%0.248CC..Hα-helixtrans-57.1-53.8174.1-70.1172.9000109.9F323 L335 I355 I372 V383 I406 R407 K412 K413 C414F323-I410 HydrophobicContact CZ-CG1 4.15Å; L335-I410 HydrophobicContact CD1-CG2 3.94Å; L335-I410 HydrophobicContact CD2-CG2 4.39Å; I355-I410 HydrophobicContact CD1-CG2 4.43Å; I372-I410 HydrophobicContact CG2-CG2 3.75Å; V383-I410 HydrophobicContact CG2-CD1 3.83Å; I406-I410 HydrophobicContact CG2-CD1 3.58Å; I406-I410 HydrophobicContact CG2-CG1 4.16Å; I406-I410 WeakPolarHBondContact O-CG1 3.44Å; I406-I410 PolarHBondContact O-N 3.26Å; R407-I410 PolarHBondContact O-N 2.88Å; I410-K412 VanDerWaalsContact C-N 3.29Å; I410-K412 PolarHBondContact O-N 3.49Å; I410-K413 CarbonylContact O-C 3.59Å; I410-K413 PolarHBondContact O-N 3.01Å; I410-C414 PolarHBondContact O-N 3.36Å; I410-C414 PolarHBondContact O-SG 3.07Å
411V97.8Very high94.9Very high8 Ų849.6 Ų49.65%0.04823%0.233CC..Hα-helixtrans-56.1-45-180171.50000111.2P373 L376 R407 K413 C414 L415 N449P373-V411 HydrophobicContact CG-CG2 3.76Å; L376-V411 HydrophobicContact CD1-CB 4.45Å; L376-V411 HydrophobicContact CD1-CG2 3.92Å; R407-V411 HydrophobicContact CG-CG2 4.23Å; R407-V411 WeakPolarHBondContact O-CB 3.43Å; R407-V411 VanDerWaalsContact O-CG2 3.22Å; R407-V411 WeakPolarHBondContact O-CG2 3.4Å; R407-V411 PolarHBondContact O-N 3.41Å; V411-K413 VanDerWaalsContact C-N 3.34Å; V411-K413 PolarHBondContact O-N 3.42Å; V411-C414 PolarHBondContact O-N 3.33Å; V411-L415 HydrophobicContact CG1-CD1 4.05Å; V411-L415 HydrophobicContact CG1-CG 4.46Å; V411-L415 VanDerWaalsContact O-CG 3.3Å; V411-L415 WeakPolarHBondContact O-CG 3.5Å; V411-L415 PolarHBondContact O-N 3.15Å; V411-N449 WeakPolarHBondContact CG1-ND2 3.3Å
412K97.4Very high95.4Very high100 Ų10043.3 Ų43.344%0.43521%0.211SC..Hα-helixtrans-57.4-47.1176.7-177-176.2174.9-172.70111.4K408 N409 I410 L415 E416K408-K412 WeakPolarHBondContact O-CB 3.45Å; K408-K412 PolarHBondContact O-N 3.02Å; N409-K412 PolarHBondContact O-N 3.35Å; I410-K412 VanDerWaalsContact C-N 3.29Å; I410-K412 PolarHBondContact O-N 3.49Å; K412-L415 PolarHBondContact O-N 3.36Å; K412-E416 WeakPolarHBondContact CE-OE1 3.32Å; K412-E416 WeakPolarHBondContact O-CG 3.42Å; K412-E416 PolarHBondContact O-N 2.75Å
413K98Very high95.7Very high57 Ų5750.3 Ų50.325%0.24824%0.244CC..Hα-helixtrans-71-33-179.7-68.5-56.7-172.9-177.60113.7F323 N409 I410 V411 E416 L417F323-K413 HydrophobicContact CB-CD 4.38Å; F323-K413 HydrophobicContact CB-CG 4.32Å; F323-K413 HydrophobicContact CD1-CB 3.99Å; F323-K413 HydrophobicContact CD1-CG 3.91Å; F323-K413 HydrophobicContact CD2-CG 3.76Å; F323-K413 HydrophobicContact CE1-CB 3.94Å; F323-K413 HydrophobicContact CE1-CG 4.09Å; F323-K413 HydrophobicContact CE2-CG 3.94Å; F323-K413 HydrophobicContact CG-CB 4.34Å; F323-K413 HydrophobicContact CG-CD 4.32Å; F323-K413 HydrophobicContact CG-CG 3.73Å; F323-K413 HydrophobicContact CZ-CB 4.24Å; F323-K413 HydrophobicContact CZ-CG 4.09Å; N409-K413 WeakPolarHBondContact O-CG 3.48Å; N409-K413 PolarHBondContact O-N 3Å; I410-K413 CarbonylContact O-C 3.59Å; I410-K413 PolarHBondContact O-N 3.01Å; V411-K413 VanDerWaalsContact C-N 3.34Å; V411-K413 PolarHBondContact O-N 3.42Å; K413-E416 WeakPolarHBondContact CD-OE2 3.17Å; K413-E416 WeakPolarHBondContact CE-OE2 3.02Å; K413-E416 IonicContact NZ-OE2 2.79Å; K413-E416 PolarHBondContact NZ-OE2 3.05Å; K413-E416 PolarHBondContact O-N 3.08Å; K413-L417 WeakPolarHBondContact O-CB 3.27Å; K413-L417 PolarHBondContact O-N 3.29Å
414C98.3Very high96Very high1 Ų153 Ų531%0.00726%0.258CS..Hα-helixtrans-63.3-44.9171.4-62.40000111.5L335 L376 I379 I410 V411 L417 F418L335-C414 VanDerWaalsContact CD1-SG 3.58Å; L376-C414 HydrophobicContact CD1-CB 4Å; I379-C414 HydrophobicContact CD1-CB 3.8Å; I379-C414 WeakPolarHBondContact CD1-SG 3.08Å; I410-C414 PolarHBondContact O-N 3.36Å; I410-C414 PolarHBondContact O-SG 3.07Å; V411-C414 PolarHBondContact O-N 3.33Å; C414-L417 WeakPolarHBondContact O-CB 3.49Å; C414-L417 PolarHBondContact O-N 2.74Å; C414-F418 HydrophobicContact CB-CE2 4.41Å; C414-F418 HydrophobicContact CB-CZ 4.31Å; C414-F418 WeakPolarHBondContact O-CD1 3.44Å; C414-F418 WeakPolarHBondContact O-CD2 3.49Å; C414-F418 WeakPolarHBondContact O-CG 3.46Å; C414-F418 PolarHBondContact O-N 3.02Å
415L97.9Very high96.2Very high2 Ų254.7 Ų54.71%0.0127%0.265CS..Hα-helixtrans-66.8-39178.8-65.6174000111.7V411 K412 F418 S419 N449 R452 L453V411-L415 HydrophobicContact CG1-CD1 4.05Å; V411-L415 HydrophobicContact CG1-CG 4.46Å; V411-L415 VanDerWaalsContact O-CG 3.3Å; V411-L415 WeakPolarHBondContact O-CG 3.5Å; V411-L415 PolarHBondContact O-N 3.15Å; K412-L415 PolarHBondContact O-N 3.36Å; L415-F418 HydrophobicContact CD2-CD2 3.98Å; L415-F418 HydrophobicContact CD2-CE2 4.29Å; L415-F418 PolarHBondContact O-N 3.25Å; L415-S419 PolarHBondContact O-N 3.09Å; L415-S419 PolarHBondContact O-OG 2.99Å; L415-N449 HydrophobicContact CD1-CB 3.71Å; L415-R452 HydrophobicContact CD1-CB 4.37Å; L415-L453 HydrophobicContact CD2-CD2 3.49Å; L415-L453 VanDerWaalsContact CD2-CD2 3.49Å; L415-L453 HydrophobicContact CD2-CG 4.01Å
416E98Very high96.3Very high51 Ų5157.4 Ų57.424%0.23827%0.273CS..Hα-helixtrans-58.9-45.9170.8-74170.6-161.700111.1K412 K413 F418 S419 E420K412-E416 WeakPolarHBondContact CE-OE1 3.32Å; K412-E416 WeakPolarHBondContact O-CG 3.42Å; K412-E416 PolarHBondContact O-N 2.75Å; K413-E416 WeakPolarHBondContact CD-OE2 3.17Å; K413-E416 WeakPolarHBondContact CE-OE2 3.02Å; K413-E416 IonicContact NZ-OE2 2.79Å; K413-E416 PolarHBondContact NZ-OE2 3.05Å; K413-E416 PolarHBondContact O-N 3.08Å; E416-F418 VanDerWaalsContact C-N 3.33Å; E416-F418 PolarHBondContact O-N 3.42Å; E416-S419 WeakPolarHBondContact O-CB 3.16Å; E416-S419 PolarHBondContact O-N 2.95Å; E416-E420 WeakPolarHBondContact O-CG 3.45Å; E416-E420 PolarHBondContact O-N 2.98Å
417L98.1Very high96.4Very high9 Ų959.3 Ų59.35%0.04728%0.284CS..Hα-helixtrans-60.2-40175.3178.165.7000112.3A319 K321 I337 K413 C414 S419 E420 L421A319-L417 HydrophobicContact CB-CD1 4.16Å; K321-L417 HydrophobicContact CB-CB 4.29Å; K321-L417 HydrophobicContact CB-CD1 4.22Å; K321-L417 HydrophobicContact CB-CD2 3.99Å; K321-L417 HydrophobicContact CB-CG 4.39Å; K321-L417 HydrophobicContact CD-CB 4.45Å; K321-L417 HydrophobicContact CD-CD1 4.36Å; K321-L417 HydrophobicContact CG-CB 4.48Å; I337-L417 HydrophobicContact CD1-CD2 3.51Å; I337-L417 HydrophobicContact CD1-CG 4.01Å; I337-L417 HydrophobicContact CG1-CD2 3.8Å; K413-L417 WeakPolarHBondContact O-CB 3.27Å; K413-L417 PolarHBondContact O-N 3.29Å; C414-L417 WeakPolarHBondContact O-CB 3.49Å; C414-L417 PolarHBondContact O-N 2.74Å; L417-S419 VanDerWaalsContact C-N 3.34Å; L417-E420 PolarHBondContact O-N 2.96Å; L417-L421 VanDerWaalsContact O-CB 3.29Å; L417-L421 WeakPolarHBondContact O-CB 3.25Å; L417-L421 PolarHBondContact O-N 2.86Å
418F98.4Very high96.5Very high0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-68.4-34.7176.9-57.9-26.8000112.5I337 L376 F378 I379 C414 L415 E416 A422 F431 L439 L456I337-F418 HydrophobicContact CD1-CD1 3.68Å; I337-F418 HydrophobicContact CD1-CE1 3.48Å; I337-F418 VanDerWaalsContact CD1-CE1 3.48Å; I337-F418 HydrophobicContact CG1-CE1 4.22Å; L376-F418 HydrophobicContact CD2-CE2 3.71Å; L376-F418 HydrophobicContact CD2-CZ 3.74Å; F378-F418 HydrophobicContact CE2-CE1 4.46Å; F378-F418 HydrophobicContact CE2-CZ 4.43Å; F378-F418 HydrophobicContact CZ-CE1 4.15Å; F378-F418 AromaticContact CZ-CZ 3.73Å; F378-F418 HydrophobicContact CZ-CZ 3.73Å; I379-F418 HydrophobicContact CD1-CE1 4.4Å; I379-F418 HydrophobicContact CD1-CZ 3.99Å; C414-F418 HydrophobicContact CB-CE2 4.41Å; C414-F418 HydrophobicContact CB-CZ 4.31Å; C414-F418 WeakPolarHBondContact O-CD1 3.44Å; C414-F418 WeakPolarHBondContact O-CD2 3.49Å; C414-F418 WeakPolarHBondContact O-CG 3.46Å; C414-F418 PolarHBondContact O-N 3.02Å; L415-F418 HydrophobicContact CD2-CD2 3.98Å; L415-F418 HydrophobicContact CD2-CE2 4.29Å; L415-F418 PolarHBondContact O-N 3.25Å; E416-F418 VanDerWaalsContact C-N 3.33Å; E416-F418 PolarHBondContact O-N 3.42Å; F418-A422 WeakPolarHBondContact O-CB 3.37Å; F418-A422 PolarHBondContact O-N 3.5Å; F418-F431 HydrophobicContact CD1-CE1 4.12Å; F418-F431 HydrophobicContact CD1-CE2 4.07Å; F418-F431 AromaticContact CD1-CZ 3.52Å; F418-F431 HydrophobicContact CD1-CZ 3.52Å; F418-F431 HydrophobicContact CD2-CZ 4.48Å; F418-F431 AromaticContact CE1-CE2 3.84Å; F418-F431 HydrophobicContact CE1-CE2 3.84Å; F418-F431 AromaticContact CE1-CZ 3.57Å; F418-F431 HydrophobicContact CE1-CZ 3.57Å; F418-F431 HydrophobicContact CG-CE1 4.35Å; F418-F431 HydrophobicContact CG-CZ 4.02Å; F418-F431 HydrophobicContact CZ-CZ 4.1Å; F418-L439 HydrophobicContact CD2-CD2 4.13Å; F418-L439 HydrophobicContact CE2-CD2 4.1Å; F418-L456 HydrophobicContact CB-CD1 3.59Å; F418-L456 HydrophobicContact CB-CD2 4.02Å; F418-L456 HydrophobicContact CB-CG 4.48Å; F418-L456 HydrophobicContact CD2-CD1 3.82Å; F418-L456 HydrophobicContact CG-CD1 4.18Å
419S97Very high96.6Very high52 Ų5254 Ų5436%0.36426%0.262SS..Hα-helixtrans-66.4-44.8173.4-67.20000111.5L415 E416 L417 L421 A422L415-S419 PolarHBondContact O-N 3.09Å; L415-S419 PolarHBondContact O-OG 2.99Å; E416-S419 WeakPolarHBondContact O-CB 3.16Å; E416-S419 PolarHBondContact O-N 2.95Å; L417-S419 VanDerWaalsContact C-N 3.34Å; S419-L421 VanDerWaalsContact C-N 3.34Å; S419-L421 PolarHBondContact O-N 3.45Å; S419-A422 WeakPolarHBondContact O-CB 3.47Å; S419-A422 PolarHBondContact O-N 3.35Å; S419-A422 VanDerWaalsContact O-N 3.13Å
420E96.7Very high96.6Very high85 Ų8555.7 Ų55.740%0.39727%0.268SS..Hα-helixtrans-60.1-44.7173.4-71.1164.5-16800110.9K321 E416 L417 A422 E423K321-E420 IonicContact NZ-OE1 3.13Å; K321-E420 PolarHBondContact NZ-OE1 3.23Å; K321-E420 IonicContact NZ-OE2 3.03Å; K321-E420 PolarHBondContact NZ-OE2 3.38Å; E416-E420 WeakPolarHBondContact O-CG 3.45Å; E416-E420 PolarHBondContact O-N 2.98Å; L417-E420 PolarHBondContact O-N 2.96Å; E420-A422 PolarHBondContact O-N 3.37Å; E420-E423 WeakPolarHBondContact O-CB 3.42Å; E420-E423 PolarHBondContact O-N 2.94Å; E420-E423 VanDerWaalsContact O-N 3.11Å
421L96.4Very high96.7Very high15 Ų1555.7 Ų55.78%0.07927%0.268CS..Hα-helixtrans-63.1-30.6176.9-168.161.9000111.9L318 A319 I337 L417 S419 E423 D424 N427 Y428 F431L318-L421 HydrophobicContact CD2-CD2 4.3Å; A319-L421 HydrophobicContact CB-CD1 4.33Å; I337-L421 HydrophobicContact CD1-CD2 4.25Å; L417-L421 VanDerWaalsContact O-CB 3.29Å; L417-L421 WeakPolarHBondContact O-CB 3.25Å; L417-L421 PolarHBondContact O-N 2.86Å; S419-L421 VanDerWaalsContact C-N 3.34Å; S419-L421 PolarHBondContact O-N 3.45Å; L421-E423 PolarHBondContact O-N 3.33Å; L421-D424 CarbonylContact O-C 3.42Å; L421-D424 PolarHBondContact O-N 3.27Å; L421-D424 VanDerWaalsContact O-N 3.13Å; L421-D424 VanDerWaalsContact O-O 3.12Å; L421-N427 HydrophobicContact CD1-CB 4.01Å; L421-Y428 HydrophobicContact CB-CD2 4.33Å; L421-Y428 HydrophobicContact CG-CD2 4.18Å; L421-Y428 WeakPolarHBondContact O-CB 3.32Å; L421-F431 HydrophobicContact CD2-CB 3.61Å; L421-F431 HydrophobicContact CD2-CD1 3.96Å; L421-F431 HydrophobicContact CD2-CD2 4.04Å; L421-F431 HydrophobicContact CD2-CG 3.6Å
422A95.5Very high96.7Very high29 Ų2956.1 Ų56.124%0.2427%0.269CS..Hα-helixtrans-68.7-18.7177.700000113.7F418 S419 E420 D424 Y428 L456F418-A422 WeakPolarHBondContact O-CB 3.37Å; F418-A422 PolarHBondContact O-N 3.5Å; S419-A422 WeakPolarHBondContact O-CB 3.47Å; S419-A422 PolarHBondContact O-N 3.35Å; S419-A422 VanDerWaalsContact O-N 3.13Å; E420-A422 PolarHBondContact O-N 3.37Å; A422-D424 VanDerWaalsContact C-N 3.31Å; A422-Y428 HydrophobicContact CB-CD2 3.78Å; A422-Y428 HydrophobicContact CB-CE2 3.69Å; A422-Y428 HydrophobicContact CB-CG 4.29Å; A422-L456 HydrophobicContact CB-CD2 4.39Å
423E95.2Very high96.6Very high174 Ų17457.6 Ų57.681%0.81328%0.277SS*.Hα-helixtrans-72-28.2171.7-58.1-176.9171.700111.5E420 L421 K425E420-E423 WeakPolarHBondContact O-CB 3.42Å; E420-E423 PolarHBondContact O-N 2.94Å; E420-E423 VanDerWaalsContact O-N 3.11Å; L421-E423 PolarHBondContact O-N 3.33Å; E423-K425 PolarHBondContact O-N 2.99Å
424D94.9Very high96.5Very high68 Ų6856.3 Ų56.336%0.36428%0.277SS..SBendtrans-90.890.4171.7-176.5-20000110.7L421 A422 E426 N427 Y428L421-D424 CarbonylContact O-C 3.42Å; L421-D424 PolarHBondContact O-N 3.27Å; L421-D424 VanDerWaalsContact O-N 3.13Å; L421-D424 VanDerWaalsContact O-O 3.12Å; A422-D424 VanDerWaalsContact C-N 3.31Å; D424-E426 PolarHBondContact O-N 3.12Å; D424-E426 VanDerWaalsContact O-N 3.13Å; D424-E426 PolarHBondContact OD1-N 3.19Å; D424-N427 HydrophobicContact CB-CB 4.47Å; D424-N427 PolarHBondContact O-N 3.2Å; D424-N427 PolarHBondContact OD1-N 3.43Å; D424-N427 VanDerWaalsContact OD1-N 3.08Å; D424-N427 PolarHBondContact OD2-ND2 3.44Å; D424-Y428 WeakPolarHBondContact O-CB 3.43Å; D424-Y428 PolarHBondContact O-N 2.59Å
425K92.9Very high96.5Very high139 Ų13956.2 Ų56.260%0.60428%0.276SS*.Hα-helixtrans-54.8-34.9-176.3-169.4177.9177.8-174.40113.2E423 K429 E467E423-K425 PolarHBondContact O-N 2.99Å; K425-K429 WeakPolarHBondContact O-CB 3.45Å; K425-K429 PolarHBondContact O-N 3.41Å; K425-E467 IonicContact NZ-OE2 2.74Å; K425-E467 PolarHBondContact NZ-OE2 3.06Å
426E94.4Very high96.5Very high129 Ų12956.7 Ų56.760%0.60328%0.28SS*.Hα-helixtrans-74.7-50.5-176.1-165.6-165.314000111.3D424 Y428 K429 K430D424-E426 PolarHBondContact O-N 3.12Å; D424-E426 VanDerWaalsContact O-N 3.13Å; D424-E426 PolarHBondContact OD1-N 3.19Å; E426-Y428 VanDerWaalsContact C-N 3.34Å; E426-K429 PolarHBondContact O-N 3.3Å; E426-K430 PolarHBondContact O-N 3.08Å; E426-K430 IonicContact OE1-NZ 3.21Å; E426-K430 PolarHBondContact OE1-NZ 3.28Å
427N95.3Very high96.5Very high41 Ų4159 Ų5922%0.21929%0.289CS..Hα-helixtrans-72.9-30.2179.3-72.6-42.3000112L318 L421 D424 K429 K430 F431L318-N427 HydrophobicContact CD1-CB 4.34Å; L421-N427 HydrophobicContact CD1-CB 4.01Å; D424-N427 HydrophobicContact CB-CB 4.47Å; D424-N427 PolarHBondContact O-N 3.2Å; D424-N427 PolarHBondContact OD1-N 3.43Å; D424-N427 VanDerWaalsContact OD1-N 3.08Å; D424-N427 PolarHBondContact OD2-ND2 3.44Å; N427-K429 VanDerWaalsContact C-N 3.31Å; N427-K429 PolarHBondContact O-N 2.97Å; N427-K430 PolarHBondContact O-N 3.48Å; N427-F431 PolarHBondContact O-N 3.04Å
428Y97.4Very high96.5Very high7 Ų758.8 Ų58.83%0.02729%0.288CS..Hα-helixtrans-62.3-39.3171.9-166.3-104.6000112.6L421 A422 D424 E426 K430 F431 Y432 L456 R458L421-Y428 HydrophobicContact CB-CD2 4.33Å; L421-Y428 HydrophobicContact CG-CD2 4.18Å; L421-Y428 WeakPolarHBondContact O-CB 3.32Å; A422-Y428 HydrophobicContact CB-CD2 3.78Å; A422-Y428 HydrophobicContact CB-CE2 3.69Å; A422-Y428 HydrophobicContact CB-CG 4.29Å; D424-Y428 WeakPolarHBondContact O-CB 3.43Å; D424-Y428 PolarHBondContact O-N 2.59Å; E426-Y428 VanDerWaalsContact C-N 3.34Å; Y428-K430 VanDerWaalsContact C-N 3.35Å; Y428-K430 PolarHBondContact O-N 3.04Å; Y428-F431 AromaticContact CD2-CD1 3.94Å; Y428-F431 HydrophobicContact CD2-CD1 3.94Å; Y428-F431 AromaticContact CE2-CD1 3.75Å; Y428-F431 HydrophobicContact CE2-CD1 3.75Å; Y428-F431 HydrophobicContact CE2-CE1 4.03Å; Y428-F431 WeakPolarHBondContact O-CB 3.04Å; Y428-F431 PolarHBondContact O-N 3.19Å; Y428-Y432 HydrophobicContact CE1-CD2 4.21Å; Y428-Y432 VanDerWaalsContact O-CB 3.28Å; Y428-Y432 WeakPolarHBondContact O-CB 3Å; Y428-Y432 PolarHBondContact O-N 3.34Å; Y428-L456 HydrophobicContact CE2-CD2 4.26Å; Y428-L456 VanDerWaalsContact OH-C 3.29Å; Y428-L456 WeakPolarHBondContact OH-CA 3.34Å; Y428-L456 WeakPolarHBondContact OH-CB 3.33Å; Y428-L456 PolarHBondContact OH-O 3.2Å; Y428-R458 HydrophobicContact CD1-CG 4.4Å; Y428-R458 HydrophobicContact CE1-CG 3.72Å; Y428-R458 VanDerWaalsContact CE1-CZ 3.5Å
429K95.9Very high96.5Very high119 Ų11958.9 Ų58.952%0.51729%0.288SS..Hα-helixtrans-59.9-47175.6-178.5178.7172.6-178.70110.8K425 E426 N427 F431 Y432 E433K425-K429 WeakPolarHBondContact O-CB 3.45Å; K425-K429 PolarHBondContact O-N 3.41Å; E426-K429 PolarHBondContact O-N 3.3Å; N427-K429 VanDerWaalsContact C-N 3.31Å; N427-K429 PolarHBondContact O-N 2.97Å; K429-F431 PolarHBondContact O-N 3.21Å; K429-Y432 PolarHBondContact O-N 2.82Å; K429-E433 WeakPolarHBondContact CE-OE1 3.5Å; K429-E433 WeakPolarHBondContact CG-OE1 3.05Å; K429-E433 WeakPolarHBondContact O-CB 3.44Å; K429-E433 VanDerWaalsContact O-CG 3.32Å; K429-E433 WeakPolarHBondContact O-CG 3.47Å; K429-E433 PolarHBondContact O-N 2.88Å
430K96.6Very high96.5Very high83 Ų8356.7 Ų56.736%0.36127%0.272SS..Hα-helixtrans-60.3-43.8176.4-63.4171.6-169.7158.10111.6E426 N427 Y428 A434E426-K430 PolarHBondContact O-N 3.08Å; E426-K430 IonicContact OE1-NZ 3.21Å; E426-K430 PolarHBondContact OE1-NZ 3.28Å; N427-K430 PolarHBondContact O-N 3.48Å; Y428-K430 VanDerWaalsContact C-N 3.35Å; Y428-K430 PolarHBondContact O-N 3.04Å; K430-A434 PolarHBondContact O-N 2.98Å
431F98Very high96.5Very high0 Ų054.3 Ų54.30%026%0.262CS..Hα-helixtrans-59.7-49.7174.4168.3-112.2000112.4L318 I337 F378 F418 L421 N427 Y428 K429 A434 F435 L439L318-F431 HydrophobicContact CD2-CB 3.62Å; L318-F431 HydrophobicContact CD2-CD2 4.39Å; L318-F431 HydrophobicContact CD2-CG 4.48Å; I337-F431 HydrophobicContact CD1-CD2 4.38Å; I337-F431 HydrophobicContact CD1-CE2 4.12Å; I337-F431 HydrophobicContact CG2-CD2 3.79Å; I337-F431 HydrophobicContact CG2-CE2 4.05Å; F378-F431 HydrophobicContact CE2-CE2 4.03Å; F378-F431 HydrophobicContact CZ-CE2 4.11Å; F418-F431 HydrophobicContact CD1-CE1 4.12Å; F418-F431 HydrophobicContact CD1-CE2 4.07Å; F418-F431 AromaticContact CD1-CZ 3.52Å; F418-F431 HydrophobicContact CD1-CZ 3.52Å; F418-F431 HydrophobicContact CD2-CZ 4.48Å; F418-F431 AromaticContact CE1-CE2 3.84Å; F418-F431 HydrophobicContact CE1-CE2 3.84Å; F418-F431 AromaticContact CE1-CZ 3.57Å; F418-F431 HydrophobicContact CE1-CZ 3.57Å; F418-F431 HydrophobicContact CG-CE1 4.35Å; F418-F431 HydrophobicContact CG-CZ 4.02Å; F418-F431 HydrophobicContact CZ-CZ 4.1Å; L421-F431 HydrophobicContact CD2-CB 3.61Å; L421-F431 HydrophobicContact CD2-CD1 3.96Å; L421-F431 HydrophobicContact CD2-CD2 4.04Å; L421-F431 HydrophobicContact CD2-CG 3.6Å; N427-F431 PolarHBondContact O-N 3.04Å; Y428-F431 AromaticContact CD2-CD1 3.94Å; Y428-F431 HydrophobicContact CD2-CD1 3.94Å; Y428-F431 AromaticContact CE2-CD1 3.75Å; Y428-F431 HydrophobicContact CE2-CD1 3.75Å; Y428-F431 HydrophobicContact CE2-CE1 4.03Å; Y428-F431 WeakPolarHBondContact O-CB 3.04Å; Y428-F431 PolarHBondContact O-N 3.19Å; K429-F431 PolarHBondContact O-N 3.21Å; F431-A434 PolarHBondContact O-N 2.98Å; F431-F435 HydrophobicContact CD2-CB 4.42Å; F431-F435 AromaticContact CD2-CD2 3.67Å; F431-F435 HydrophobicContact CD2-CD2 3.67Å; F431-F435 HydrophobicContact CD2-CE2 4.46Å; F431-F435 HydrophobicContact CD2-CG 4.46Å; F431-F435 HydrophobicContact CE2-CB 4.07Å; F431-F435 AromaticContact CE2-CD2 3.9Å; F431-F435 HydrophobicContact CE2-CD2 3.9Å; F431-F435 HydrophobicContact CE2-CG 4.32Å; F431-F435 PolarHBondContact O-N 2.8Å; F431-L439 HydrophobicContact CE1-CD1 3.88Å; F431-L439 HydrophobicContact CE1-CD2 4.5Å; F431-L439 HydrophobicContact CZ-CD1 4.31Å; F431-L439 HydrophobicContact CZ-CD2 4.28Å; F431-L439 HydrophobicContact CZ-CG 4.5Å
432Y97.4Very high96.6Very high18 Ų1853.6 Ų53.67%0.07126%0.258CS..Hα-helixtrans-65.4-41.8-176.4-166.8-94.4000111Y428 K429 A434 F435 S436 L439 K440 L456 R458Y428-Y432 HydrophobicContact CE1-CD2 4.21Å; Y428-Y432 VanDerWaalsContact O-CB 3.28Å; Y428-Y432 WeakPolarHBondContact O-CB 3Å; Y428-Y432 PolarHBondContact O-N 3.34Å; K429-Y432 PolarHBondContact O-N 2.82Å; Y432-A434 VanDerWaalsContact C-N 3.3Å; Y432-A434 PolarHBondContact O-N 3.06Å; Y432-F435 PolarHBondContact O-N 3.17Å; Y432-S436 WeakPolarHBondContact O-CA 3.21Å; Y432-S436 WeakPolarHBondContact O-CB 3.22Å; Y432-S436 PolarHBondContact O-N 3.2Å; Y432-L439 HydrophobicContact CD2-CD1 3.86Å; Y432-L439 HydrophobicContact CE2-CD1 3.94Å; Y432-K440 WeakPolarHBondContact OH-CE 3.32Å; Y432-L456 VanDerWaalsContact CE2-O 3.25Å; Y432-L456 WeakPolarHBondContact CE2-O 3.2Å; Y432-R458 HydrophobicContact CD1-CB 3.98Å; Y432-R458 HydrophobicContact CD1-CG 4.48Å; Y432-R458 HydrophobicContact CD2-CB 4.3Å; Y432-R458 HydrophobicContact CD2-CG 4.14Å; Y432-R458 HydrophobicContact CE1-CB 3.73Å; Y432-R458 WeakPolarHBondContact CE1-O 3.48Å; Y432-R458 HydrophobicContact CE2-CB 4.1Å; Y432-R458 HydrophobicContact CE2-CG 4.25Å; Y432-R458 HydrophobicContact CG-CB 4.26Å; Y432-R458 HydrophobicContact CG-CG 4.27Å; Y432-R458 PolarHBondContact OH-N 3.06Å; Y432-R458 PolarHBondContact OH-O 3.36Å
433E95.7Very high96.7Very high131 Ų13152.2 Ų52.261%0.61225%0.247SC*.Hα-helixtrans-60.1-38.9175.1-74.5172.7-178.200112.3K429K429-E433 WeakPolarHBondContact CE-OE1 3.5Å; K429-E433 WeakPolarHBondContact CG-OE1 3.05Å; K429-E433 WeakPolarHBondContact O-CB 3.44Å; K429-E433 VanDerWaalsContact O-CG 3.32Å; K429-E433 WeakPolarHBondContact O-CG 3.47Å; K429-E433 PolarHBondContact O-N 2.88Å
434A96.6Very high96.7Very high29 Ų2947 Ų4724%0.2422%0.222CC..Hα-helixtrans-76.9-37.1179.200000113.6K430 F431 Y432K430-A434 PolarHBondContact O-N 2.98Å; F431-A434 PolarHBondContact O-N 2.98Å; Y432-A434 VanDerWaalsContact C-N 3.3Å; Y432-A434 PolarHBondContact O-N 3.06Å
435F98.3Very high96.7Very high0 Ų048.5 Ų48.50%023%0.227CC..Hα-helixtrans-128.115.6-166.3-56.2-71.7000114.8I337 P338 A341 L345 F378 F431 Y432 K437 N438 L439I337-F435 HydrophobicContact CG2-CD2 4.45Å; I337-F435 HydrophobicContact CG2-CE2 4.09Å; P338-F435 HydrophobicContact CB-CZ 4.35Å; P338-F435 VanDerWaalsContact O-CE2 3.3Å; P338-F435 WeakPolarHBondContact O-CE2 3.41Å; A341-F435 HydrophobicContact CB-CD1 4.35Å; A341-F435 HydrophobicContact CB-CE1 3.84Å; A341-F435 HydrophobicContact CB-CZ 4.37Å; L345-F435 HydrophobicContact CD2-CD1 4.29Å; L345-F435 HydrophobicContact CD2-CE1 4.35Å; F378-F435 HydrophobicContact CB-CD1 3.88Å; F378-F435 HydrophobicContact CB-CE1 3.54Å; F378-F435 HydrophobicContact CB-CZ 4.39Å; F378-F435 HydrophobicContact CD1-CD1 4.04Å; F378-F435 AromaticContact CD2-CD1 3.65Å; F378-F435 HydrophobicContact CD2-CD1 3.65Å; F378-F435 HydrophobicContact CD2-CD2 4.28Å; F378-F435 AromaticContact CD2-CE1 3.61Å; F378-F435 HydrophobicContact CD2-CE1 3.61Å; F378-F435 HydrophobicContact CD2-CE2 4.25Å; F378-F435 AromaticContact CD2-CG 3.99Å; F378-F435 HydrophobicContact CD2-CG 3.99Å; F378-F435 AromaticContact CD2-CZ 3.92Å; F378-F435 HydrophobicContact CD2-CZ 3.92Å; F378-F435 HydrophobicContact CE1-CD1 4.48Å; F378-F435 HydrophobicContact CE2-CD1 4.14Å; F378-F435 HydrophobicContact CE2-CD2 4.23Å; F378-F435 HydrophobicContact CE2-CE1 4.44Å; F378-F435 HydrophobicContact CE2-CG 4.03Å; F378-F435 AromaticContact CG-CD1 3.58Å; F378-F435 HydrophobicContact CG-CD1 3.58Å; F378-F435 AromaticContact CG-CE1 3.65Å; F378-F435 HydrophobicContact CG-CE1 3.65Å; F378-F435 HydrophobicContact CG-CG 4.29Å; F378-F435 HydrophobicContact CG-CZ 4.4Å; F378-F435 HydrophobicContact CZ-CB 4.35Å; F378-F435 HydrophobicContact CZ-CG 4.34Å; F431-F435 HydrophobicContact CD2-CB 4.42Å; F431-F435 AromaticContact CD2-CD2 3.67Å; F431-F435 HydrophobicContact CD2-CD2 3.67Å; F431-F435 HydrophobicContact CD2-CE2 4.46Å; F431-F435 HydrophobicContact CD2-CG 4.46Å; F431-F435 HydrophobicContact CE2-CB 4.07Å; F431-F435 AromaticContact CE2-CD2 3.9Å; F431-F435 HydrophobicContact CE2-CD2 3.9Å; F431-F435 HydrophobicContact CE2-CG 4.32Å; F431-F435 PolarHBondContact O-N 2.8Å; Y432-F435 PolarHBondContact O-N 3.17Å; F435-K437 PolarHBondContact O-N 3.31Å; F435-N438 HydrophobicContact CB-CB 4.42Å; F435-N438 WeakPolarHBondContact O-CB 3.44Å; F435-N438 PolarHBondContact O-N 2.95Å; F435-L439 PolarHBondContact O-N 2.77Å; F435-L439 VanDerWaalsContact O-N 3.15Å
436S97.7Very high96.9Very high11 Ų1143.1 Ų43.18%0.07721%0.205CC..Hα-helixtrans-53.3-41.9176.759.50000112.1Y432 N438 L439 K440Y432-S436 WeakPolarHBondContact O-CA 3.21Å; Y432-S436 WeakPolarHBondContact O-CB 3.22Å; Y432-S436 PolarHBondContact O-N 3.2Å; S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 2.95Å; S436-L439 PolarHBondContact O-N 3.22Å; S436-K440 VanDerWaalsContact O-CB 3.28Å; S436-K440 WeakPolarHBondContact O-CB 3.43Å; S436-K440 WeakPolarHBondContact O-CG 3.33Å; S436-K440 PolarHBondContact O-N 3.07Å
437K97.5Very high97Very high101 Ų10140.8 Ų40.844%0.43920%0.203SC..Hα-helixtrans-60.3-38.8178.7-67.4178.1-177.4172.70112.1F346 F435 K440 L441 E517 I519F346-K437 HydrophobicContact CE2-CB 4.37Å; F346-K437 HydrophobicContact CE2-CD 4.17Å; F346-K437 HydrophobicContact CZ-CB 3.8Å; F346-K437 HydrophobicContact CZ-CD 4.41Å; F435-K437 PolarHBondContact O-N 3.31Å; K437-K440 PolarHBondContact O-N 3.27Å; K437-L441 WeakPolarHBondContact O-CB 3.31Å; K437-L441 PolarHBondContact O-N 3.18Å; K437-E517 VanDerWaalsContact CE-OE1 3.31Å; K437-E517 WeakPolarHBondContact CE-OE1 3.29Å; K437-I519 WeakPolarHBondContact O-CD1 3.33Å
438N98.1Very high97.1Very high4 Ų444.5 Ų44.52%0.02123%0.228CC..Hα-helixtrans-66.1-47.1175.3-72.585.8000111.3L345 F346 Y375 F378 F435 S436 K440 L441 G442L345-N438 WeakPolarHBondContact CD2-OD1 3.17Å; F346-N438 WeakPolarHBondContact CZ-OD1 3.19Å; Y375-N438 WeakPolarHBondContact CB-O 3.48Å; Y375-N438 VanDerWaalsContact O-CB 3.31Å; Y375-N438 WeakPolarHBondContact O-CB 3.48Å; Y375-N438 PolarHBondContact O-ND2 2.96Å; F378-N438 HydrophobicContact CD1-CB 3.98Å; F378-N438 HydrophobicContact CE1-CB 3.76Å; F435-N438 HydrophobicContact CB-CB 4.42Å; F435-N438 WeakPolarHBondContact O-CB 3.44Å; F435-N438 PolarHBondContact O-N 2.95Å; S436-N438 VanDerWaalsContact C-N 3.29Å; S436-N438 PolarHBondContact O-N 2.95Å; N438-K440 VanDerWaalsContact C-N 3.28Å; N438-K440 PolarHBondContact O-N 3.32Å; N438-L441 PolarHBondContact O-N 2.96Å; N438-G442 PolarHBondContact O-N 2.98Å
439L98.1Very high97.1Very high1 Ų145.7 Ų45.71%0.00523%0.234CC..Hα-helixtrans-59.1-42.9175.7-63.9175.6000111.8F418 F431 Y432 F435 S436 G442 I443 L453 L456F418-L439 HydrophobicContact CD2-CD2 4.13Å; F418-L439 HydrophobicContact CE2-CD2 4.1Å; F431-L439 HydrophobicContact CE1-CD1 3.88Å; F431-L439 HydrophobicContact CE1-CD2 4.5Å; F431-L439 HydrophobicContact CZ-CD1 4.31Å; F431-L439 HydrophobicContact CZ-CD2 4.28Å; F431-L439 HydrophobicContact CZ-CG 4.5Å; Y432-L439 HydrophobicContact CD2-CD1 3.86Å; Y432-L439 HydrophobicContact CE2-CD1 3.94Å; F435-L439 PolarHBondContact O-N 2.77Å; F435-L439 VanDerWaalsContact O-N 3.15Å; S436-L439 PolarHBondContact O-N 3.22Å; L439-G442 WeakPolarHBondContact O-CA 3.35Å; L439-G442 PolarHBondContact O-N 3.09Å; L439-G442 VanDerWaalsContact O-N 3.16Å; L439-I443 PolarHBondContact O-N 3.42Å; L439-L453 HydrophobicContact CD2-CD2 4.09Å; L439-L456 HydrophobicContact CD1-CB 4.31Å; L439-L456 HydrophobicContact CD2-CD1 4.21Å
440K98.2Very high97.1Very high6 Ų642.2 Ų42.23%0.02622%0.218CC..Hα-helixtrans-64-40.6177.8-76.9179.8-168.7-171.70112.4Y432 S436 K437 N438 G442 I443 H444 L457 E517 I519 D520 C523Y432-K440 WeakPolarHBondContact OH-CE 3.32Å; S436-K440 VanDerWaalsContact O-CB 3.28Å; S436-K440 WeakPolarHBondContact O-CB 3.43Å; S436-K440 WeakPolarHBondContact O-CG 3.33Å; S436-K440 PolarHBondContact O-N 3.07Å; K437-K440 PolarHBondContact O-N 3.27Å; N438-K440 VanDerWaalsContact C-N 3.28Å; N438-K440 PolarHBondContact O-N 3.32Å; K440-G442 VanDerWaalsContact C-N 3.33Å; K440-I443 WeakPolarHBondContact O-CB 3.48Å; K440-I443 PolarHBondContact O-N 2.88Å; K440-H444 PolarHBondContact O-N 2.92Å; K440-L457 HydrophobicContact CG-CD2 4.07Å; K440-E517 IonicContact NZ-OE2 2.64Å; K440-E517 PolarHBondContact NZ-OE2 2.93Å; K440-I519 HydrophobicContact CB-CD1 3.93Å; K440-I519 HydrophobicContact CB-CG1 4.07Å; K440-I519 HydrophobicContact CB-CG2 3.96Å; K440-I519 HydrophobicContact CD-CG2 3.58Å; K440-I519 HydrophobicContact CG-CG2 4.39Å; K440-D520 VanDerWaalsContact CD-OD1 3.27Å; K440-D520 WeakPolarHBondContact CD-OD1 3.45Å; K440-D520 WeakPolarHBondContact CE-OD1 3.27Å; K440-D520 IonicContact NZ-OD1 3.63Å; K440-D520 PolarHBondContact NZ-OD1 3.14Å; K440-D520 IonicContact NZ-OD2 2.68Å; K440-D520 PolarHBondContact NZ-OD2 3.17Å; K440-C523 VanDerWaalsContact C-SG 3.58Å; K440-C523 WeakPolarHBondContact CA-SG 3.41Å; K440-C523 WeakPolarHBondContact CB-SG 3.34Å; K440-C523 PolarHBondContact O-SG 3.29Å
441L96.7Very high97Very high35 Ų3547.1 Ų47.118%0.18323%0.234CC..Hα-helixtrans-62.3-41.5170.6-176.862.6000111.3E374 K437 N438 I443 H444 E445 I519E374-L441 HydrophobicContact CG-CD2 4.43Å; K437-L441 WeakPolarHBondContact O-CB 3.31Å; K437-L441 PolarHBondContact O-N 3.18Å; N438-L441 PolarHBondContact O-N 2.96Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 2.81Å; L441-H444 WeakPolarHBondContact O-CA 3.41Å; L441-H444 WeakPolarHBondContact O-CB 3.46Å; L441-H444 PolarHBondContact O-N 3.04Å; L441-E445 HydrophobicContact CD1-CG 4.02Å; L441-E445 HydrophobicContact CG-CG 4.32Å; L441-E445 PolarHBondContact O-N 3.48Å; L441-I519 HydrophobicContact CB-CD1 4.16Å
442G97.5Very high96.9Very high0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-59.1-39.8174.800000113Y375 N438 L439 K440 H444 E445 D446 L453Y375-G442 VanDerWaalsContact CG-CA 3.4Å; N438-G442 PolarHBondContact O-N 2.98Å; L439-G442 WeakPolarHBondContact O-CA 3.35Å; L439-G442 PolarHBondContact O-N 3.09Å; L439-G442 VanDerWaalsContact O-N 3.16Å; K440-G442 VanDerWaalsContact C-N 3.33Å; G442-H444 VanDerWaalsContact C-N 3.27Å; G442-H444 PolarHBondContact O-N 3.13Å; G442-E445 PolarHBondContact O-N 3.04Å; G442-D446 WeakPolarHBondContact O-CA 3.37Å; G442-D446 WeakPolarHBondContact O-CB 3.49Å; G442-D446 PolarHBondContact O-N 3.28Å; G442-L453 VanDerWaalsContact C-CD1 3.49Å
443I97.8Very high97Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-60.3-39.8172.8-66.6-70.9000111.3L439 K440 L441 R450 L453 L457 C523 L527L439-I443 PolarHBondContact O-N 3.42Å; K440-I443 WeakPolarHBondContact O-CB 3.48Å; K440-I443 PolarHBondContact O-N 2.88Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 2.81Å; I443-R450 HydrophobicContact CD1-CG 3.9Å; I443-R450 WeakPolarHBondContact CD1-O 3.5Å; I443-R450 HydrophobicContact CG2-CG 4.19Å; I443-R450 PolarHBondContact O-NE 2.79Å; I443-R450 PolarHBondContact O-NH2 2.95Å; I443-L453 HydrophobicContact CD1-CB 3.42Å; I443-L453 VanDerWaalsContact CD1-CB 3.42Å; I443-L453 HydrophobicContact CG1-CB 4.1Å; I443-L457 HydrophobicContact CD1-CD1 4.37Å; I443-L457 HydrophobicContact CG1-CD1 4.31Å; I443-L457 HydrophobicContact CG1-CD2 4.41Å; I443-C523 HydrophobicContact CG2-CB 4.16Å; I443-L527 HydrophobicContact CG2-CB 4.44Å
444H96.2Very high97Very high65 Ų6545.5 Ų45.530%0.30122%0.223SC..Hα-helixtrans-67.7-49.5-179.5-172.672.2000111.6K440 L441 G442 Y522K440-H444 PolarHBondContact O-N 2.92Å; L441-H444 WeakPolarHBondContact O-CA 3.41Å; L441-H444 WeakPolarHBondContact O-CB 3.46Å; L441-H444 PolarHBondContact O-N 3.04Å; G442-H444 VanDerWaalsContact C-N 3.27Å; G442-H444 PolarHBondContact O-N 3.13Å; H444-Y522 PolarHBondContact ND1-O 3.43Å
445E95.3Very high97.1Very high99 Ų9948 Ų4846%0.46323%0.229SC..Hα-helixtrans-88-43.9-171.2-63.5-175.916000114.2L441 G442 S447L441-E445 HydrophobicContact CD1-CG 4.02Å; L441-E445 HydrophobicContact CG-CG 4.32Å; L441-E445 PolarHBondContact O-N 3.48Å; G442-E445 PolarHBondContact O-N 3.04Å; E445-S447 PolarHBondContact O-N 3.24Å
446D96.6Very high97.1Very high26 Ų2648.1 Ų48.114%0.13923%0.23CC..  trans-96.286.7-170-169.3-18.8000111.7Y375 G442 T448 N449 R450Y375-D446 HydrophobicContact CD1-CB 4.43Å; Y375-D446 HydrophobicContact CE1-CB 3.68Å; Y375-D446 PolarHBondContact OH-OD2 3.37Å; G442-D446 WeakPolarHBondContact O-CA 3.37Å; G442-D446 WeakPolarHBondContact O-CB 3.49Å; G442-D446 PolarHBondContact O-N 3.28Å; D446-T448 PolarHBondContact O-N 2.93Å; D446-T448 WeakPolarHBondContact OD1-CB 3.28Å; D446-T448 PolarHBondContact OD1-N 3Å; D446-N449 PolarHBondContact O-N 3.22Å; D446-N449 PolarHBondContact OD1-N 3.33Å; D446-N449 PolarHBondContact OD1-ND2 3.04Å; D446-N449 PolarHBondContact OD2-ND2 3.16Å; D446-R450 WeakPolarHBondContact O-CB 3.11Å; D446-R450 PolarHBondContact O-N 2.79Å
447S96.2Very high97.1Very high81 Ų8147.6 Ų47.657%0.56623%0.227SC*.THydrogen-bonded Turntrans-62.4-24.3176.962.90000114.2E445E445-S447 PolarHBondContact O-N 3.24Å
448T96.7Very high97.1Very high119 Ų11944.7 Ų44.773%0.7321%0.213SC*.THydrogen-bonded Turntrans-78.8-41.9-176.3-560000110.8D446D446-T448 PolarHBondContact O-N 2.93Å; D446-T448 WeakPolarHBondContact OD1-CB 3.28Å; D446-T448 PolarHBondContact OD1-N 3Å
449N97.6Very high97.1Very high31 Ų3145 Ų4517%0.16621%0.214CC..THydrogen-bonded Turntrans-96.3-0.7-179.2-65.3-62.6000114V411 L415 D446 R451 R452 L453V411-N449 WeakPolarHBondContact CG1-ND2 3.3Å; L415-N449 HydrophobicContact CD1-CB 3.71Å; D446-N449 PolarHBondContact O-N 3.22Å; D446-N449 PolarHBondContact OD1-N 3.33Å; D446-N449 PolarHBondContact OD1-ND2 3.04Å; D446-N449 PolarHBondContact OD2-ND2 3.16Å; N449-R451 PolarHBondContact O-N 3.48Å; N449-R451 VanDerWaalsContact O-N 3.08Å; N449-R452 PolarHBondContact O-N 2.89Å; N449-L453 HydrophobicContact CB-CD1 4.35Å; N449-L453 PolarHBondContact O-N 2.69Å
450R96.6Very high97.1Very high46 Ų4647.3 Ų47.317%0.17423%0.225CC..Hα-helixtrans-47.3-41.3-178.8-170.8174.3-63.8133.2-2.3114.1I443 D446 L453 S454I443-R450 HydrophobicContact CD1-CG 3.9Å; I443-R450 WeakPolarHBondContact CD1-O 3.5Å; I443-R450 HydrophobicContact CG2-CG 4.19Å; I443-R450 PolarHBondContact O-NE 2.79Å; I443-R450 PolarHBondContact O-NH2 2.95Å; D446-R450 WeakPolarHBondContact O-CB 3.11Å; D446-R450 PolarHBondContact O-N 2.79Å; R450-L453 PolarHBondContact O-N 2.64Å; R450-S454 WeakPolarHBondContact O-CB 3.46Å; R450-S454 PolarHBondContact O-N 3.46Å; R450-S454 PolarHBondContact O-OG 2.76Å
451R95.1Very high97.1Very high186 Ų18647.2 Ų47.270%0.70223%0.225SC*.Hα-helixtrans-58.9-52.5177.9-177.5177.4176.3175.82.1111.5N449 L453 S454N449-R451 PolarHBondContact O-N 3.48Å; N449-R451 VanDerWaalsContact O-N 3.08Å; R451-L453 PolarHBondContact O-N 3.48Å; R451-S454 PolarHBondContact O-N 3.07Å; R451-S454 PolarHBondContact O-OG 2.91Å
452R96.1Very high97.1Very high112 Ų11246.9 Ų46.942%0.42323%0.225SC..Hα-helixtrans-63.6-42.5178.8-66.5-179.8176.1-162.6-5.8111.8L415 N449 S454 E455L415-R452 HydrophobicContact CD1-CB 4.37Å; N449-R452 PolarHBondContact O-N 2.89Å; R452-S454 VanDerWaalsContact C-N 3.26Å; R452-S454 PolarHBondContact O-N 3.46Å; R452-E455 PolarHBondContact O-N 2.95Å
453L97.8Very high97Very high0 Ų052.8 Ų52.80%025%0.253CS..Hα-helixtrans-62.5-33.2176.5-72.1170.4000112.2Y375 L415 L439 G442 I443 N449 R450 R451 E455 L456Y375-L453 HydrophobicContact CE2-CD1 4.22Å; Y375-L453 HydrophobicContact CE2-CD2 4.23Å; L415-L453 HydrophobicContact CD2-CD2 3.49Å; L415-L453 VanDerWaalsContact CD2-CD2 3.49Å; L415-L453 HydrophobicContact CD2-CG 4.01Å; L439-L453 HydrophobicContact CD2-CD2 4.09Å; G442-L453 VanDerWaalsContact C-CD1 3.49Å; I443-L453 HydrophobicContact CD1-CB 3.42Å; I443-L453 VanDerWaalsContact CD1-CB 3.42Å; I443-L453 HydrophobicContact CG1-CB 4.1Å; N449-L453 HydrophobicContact CB-CD1 4.35Å; N449-L453 PolarHBondContact O-N 2.69Å; R450-L453 PolarHBondContact O-N 2.64Å; R451-L453 PolarHBondContact O-N 3.48Å; L453-E455 VanDerWaalsContact C-N 3.3Å; L453-E455 PolarHBondContact O-N 3.03Å; L453-L456 HydrophobicContact CD2-CD1 4.37Å; L453-L456 WeakPolarHBondContact O-CB 3.4Å; L453-L456 PolarHBondContact O-N 3.03Å; L453-L456 VanDerWaalsContact O-N 3.11Å
454S97.6Very high96.8Very high4 Ų454.2 Ų54.23%0.02826%0.263CS..Hα-helixtrans-69.1-28.9-177.6680000112.9R450 R451 R452 L456 L457 F530R450-S454 WeakPolarHBondContact O-CB 3.46Å; R450-S454 PolarHBondContact O-N 3.46Å; R450-S454 PolarHBondContact O-OG 2.76Å; R451-S454 PolarHBondContact O-N 3.07Å; R451-S454 PolarHBondContact O-OG 2.91Å; R452-S454 VanDerWaalsContact C-N 3.26Å; R452-S454 PolarHBondContact O-N 3.46Å; S454-L456 PolarHBondContact O-N 2.64Å; S454-L457 PolarHBondContact O-N 2.93Å; S454-F530 WeakPolarHBondContact OG-CD2 3.47Å; S454-F530 WeakPolarHBondContact OG-CE2 3.19Å
455E97.5Very high96.5Very high80 Ų8053.1 Ų53.137%0.37427%0.269SS..Hα-helixtrans-68-21.8174-63.8166.3-163.500111.9R452 L453 R458 F530R452-E455 PolarHBondContact O-N 2.95Å; L453-E455 VanDerWaalsContact C-N 3.3Å; L453-E455 PolarHBondContact O-N 3.03Å; E455-R458 PolarHBondContact O-NH1 3.4Å; E455-F530 HydrophobicContact CG-CE2 4.24Å; E455-F530 HydrophobicContact CG-CZ 4.43Å
456L98Very high96.3Very high4 Ų455.1 Ų55.12%0.02128%0.283CS..THydrogen-bonded Turntrans-87.3-3.1177.5-58.1175.1000113.1F418 A422 Y428 Y432 L439 L453 S454F418-L456 HydrophobicContact CB-CD1 3.59Å; F418-L456 HydrophobicContact CB-CD2 4.02Å; F418-L456 HydrophobicContact CB-CG 4.48Å; F418-L456 HydrophobicContact CD2-CD1 3.82Å; F418-L456 HydrophobicContact CG-CD1 4.18Å; A422-L456 HydrophobicContact CB-CD2 4.39Å; Y428-L456 HydrophobicContact CE2-CD2 4.26Å; Y428-L456 VanDerWaalsContact OH-C 3.29Å; Y428-L456 WeakPolarHBondContact OH-CA 3.34Å; Y428-L456 WeakPolarHBondContact OH-CB 3.33Å; Y428-L456 PolarHBondContact OH-O 3.2Å; Y432-L456 VanDerWaalsContact CE2-O 3.25Å; Y432-L456 WeakPolarHBondContact CE2-O 3.2Å; L439-L456 HydrophobicContact CD1-CB 4.31Å; L439-L456 HydrophobicContact CD2-CD1 4.21Å; L453-L456 HydrophobicContact CD2-CD1 4.37Å; L453-L456 WeakPolarHBondContact O-CB 3.4Å; L453-L456 PolarHBondContact O-N 3.03Å; L453-L456 VanDerWaalsContact O-N 3.11Å; S454-L456 PolarHBondContact O-N 2.64Å
457L98.1Very high96.1Very high0 Ų059.6 Ų59.60%030%0.303CS..  trans-75.6142.7178.7-62.7171.7000111K440 I443 S454 Y459 L471 L527K440-L457 HydrophobicContact CG-CD2 4.07Å; I443-L457 HydrophobicContact CD1-CD1 4.37Å; I443-L457 HydrophobicContact CG1-CD1 4.31Å; I443-L457 HydrophobicContact CG1-CD2 4.41Å; S454-L457 PolarHBondContact O-N 2.93Å; L457-Y459 HydrophobicContact CB-CD2 4.29Å; L457-Y459 HydrophobicContact CB-CE2 3.55Å; L457-Y459 HydrophobicContact CD1-CE2 4.1Å; L457-Y459 HydrophobicContact CG-CE2 4.31Å; L457-L471 HydrophobicContact CD1-CD1 4.32Å; L457-L527 HydrophobicContact CD1-CD2 3.93Å
458R97.9Very high96Very high40 Ų4058.1 Ų58.115%0.15129%0.29CS..EExtended strand (participates in β ladder)trans-132.1132.1176-60.9-66.6179.4-84.7-0.8109Y428 Y432 E455 V468 T469Y428-R458 HydrophobicContact CD1-CG 4.4Å; Y428-R458 HydrophobicContact CE1-CG 3.72Å; Y428-R458 VanDerWaalsContact CE1-CZ 3.5Å; Y432-R458 HydrophobicContact CD1-CB 3.98Å; Y432-R458 HydrophobicContact CD1-CG 4.48Å; Y432-R458 HydrophobicContact CD2-CB 4.3Å; Y432-R458 HydrophobicContact CD2-CG 4.14Å; Y432-R458 HydrophobicContact CE1-CB 3.73Å; Y432-R458 WeakPolarHBondContact CE1-O 3.48Å; Y432-R458 HydrophobicContact CE2-CB 4.1Å; Y432-R458 HydrophobicContact CE2-CG 4.25Å; Y432-R458 HydrophobicContact CG-CB 4.26Å; Y432-R458 HydrophobicContact CG-CG 4.27Å; Y432-R458 PolarHBondContact OH-N 3.06Å; Y432-R458 PolarHBondContact OH-O 3.36Å; E455-R458 PolarHBondContact O-NH1 3.4Å; R458-V468 HydrophobicContact CB-CB 4.01Å; R458-V468 HydrophobicContact CB-CG2 3.93Å; R458-V468 HydrophobicContact CG-CG2 4.5Å; R458-T469 WeakPolarHBondContact CA-O 3.29Å
459Y98Very high96Very high9 Ų952.9 Ų52.94%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-137.7154.8-177.3-64.4-75.8000110.7L457 V468 T469 L471 V513 M515 D520L457-Y459 HydrophobicContact CB-CD2 4.29Å; L457-Y459 HydrophobicContact CB-CE2 3.55Å; L457-Y459 HydrophobicContact CD1-CE2 4.1Å; L457-Y459 HydrophobicContact CG-CE2 4.31Å; Y459-V468 CarbonylContact O-C 3.58Å; Y459-V468 WeakPolarHBondContact O-CA 3.34Å; Y459-T469 PolarHBondContact N-O 3.14Å; Y459-T469 PolarHBondContact O-N 3.1Å; Y459-L471 HydrophobicContact CD2-CD2 4.12Å; Y459-L471 HydrophobicContact CD2-CG 4.47Å; Y459-L471 HydrophobicContact CE2-CD2 4.33Å; Y459-L471 HydrophobicContact CE2-CG 4.44Å; Y459-V513 VanDerWaalsContact CB-CG1 3.49Å; Y459-V513 HydrophobicContact CD1-CG1 4.25Å; Y459-V513 HydrophobicContact CD2-CG1 3.94Å; Y459-V513 HydrophobicContact CG-CG1 3.64Å; Y459-M515 HydrophobicContact CD1-CG 4.05Å; Y459-M515 HydrophobicContact CE1-CE 4.34Å; Y459-M515 HydrophobicContact CE1-CG 3.9Å; Y459-M515 HydrophobicContact CE2-CE 4.44Å; Y459-D520 WeakPolarHBondContact CE1-OD1 3.41Å
460H97.9Very high96Very high51 Ų5151.7 Ų51.724%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-74.8148.9162.8-65.7-68.3000109.7D466 E467 V468 K493 Y514H460-D466 PolarHBondContact CE1-O 3.49Å; H460-E467 PolarHBondContact ND1-O 2.94Å; H460-E467 VanDerWaalsContact ND1-O 3.1Å; H460-V468 VanDerWaalsContact CE1-CG1 3.42Å; H460-V468 WeakPolarHBondContact CE1-CG1 3.47Å; H460-K493 HydrophobicContact CB-CD 4.44Å; H460-Y514 HydrophobicContact CB-CD2 4.27Å; H460-Y514 PolarHBondContact O-N 2.66Å
461T98.2Very high96Very high4 Ų449.6 Ų49.63%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-131.4169.917473.50000111.3Q463 S464 T469 Y474 E511 V512 V513 Y514T461-Q463 PolarHBondContact O-N 3.43Å; T461-Q463 VanDerWaalsContact O-N 3.16Å; T461-Q463 PolarHBondContact OG1-N 3.27Å; T461-S464 PolarHBondContact N-OG 3.43Å; T461-S464 PolarHBondContact O-N 2.83Å; T461-S464 PolarHBondContact O-OG 3.34Å; T461-S464 WeakPolarHBondContact OG1-CB 3.25Å; T461-S464 PolarHBondContact OG1-N 3.05Å; T461-S464 VanDerWaalsContact OG1-N 3.14Å; T461-S464 PolarHBondContact OG1-OG 3.22Å; T461-T469 HydrophobicContact CG2-CG2 3.34Å; T461-Y474 HydrophobicContact CG2-CD2 4.35Å; T461-E511 WeakPolarHBondContact CB-OE1 3.44Å; T461-E511 HydrophobicContact CG2-CG 4.37Å; T461-E511 VanDerWaalsContact CG2-OE1 3.32Å; T461-E511 WeakPolarHBondContact CG2-OE1 3.48Å; T461-E511 PolarHBondContact OG1-OE1 3.01Å; T461-V512 CarbonylContact C-O 3.51Å; T461-V512 WeakPolarHBondContact CA-O 3.25Å; T461-V512 WeakPolarHBondContact CB-O 3.45Å; T461-V513 HydrophobicContact CG2-CG2 4.25Å; T461-Y514 VanDerWaalsContact C-CE2 3.44Å
462S97Very high96.1Very high28 Ų2843.3 Ų43.320%0.19623%0.229CC..THydrogen-bonded Turntrans-63.2-15.8176670000114.3E511 V512 Y514S462-E511 WeakPolarHBondContact OG-CA 3.42Å; S462-V512 PolarHBondContact N-O 3.39Å; S462-V512 PolarHBondContact OG-N 3.43Å; S462-Y514 WeakPolarHBondContact CA-OH 3.48Å; S462-Y514 WeakPolarHBondContact CB-OH 3.32Å
463Q95.6Very high96.2Very high124 Ų12441.9 Ų41.958%0.57923%0.227SC*.THydrogen-bonded Turntrans-108.5-22.2-179.5-62.9-64.3-16.600112.7T461 G465 E511T461-Q463 PolarHBondContact O-N 3.43Å; T461-Q463 VanDerWaalsContact O-N 3.16Å; T461-Q463 PolarHBondContact OG1-N 3.27Å; Q463-G465 VanDerWaalsContact C-N 3.34Å; Q463-G465 PolarHBondContact O-N 3.24Å; Q463-E511 HydrophobicContact CB-CG 4.12Å; Q463-E511 HydrophobicContact CG-CB 4.06Å; Q463-E511 HydrophobicContact CG-CG 3.79Å
464S92.5Very high96.2Very high30 Ų3042 Ų4221%0.2123%0.227CC..THydrogen-bonded Turntrans-80.5-11-174.673.70000114.5T461 D466 E467T461-S464 PolarHBondContact N-OG 3.43Å; T461-S464 PolarHBondContact O-N 2.83Å; T461-S464 PolarHBondContact O-OG 3.34Å; T461-S464 WeakPolarHBondContact OG1-CB 3.25Å; T461-S464 PolarHBondContact OG1-N 3.05Å; T461-S464 VanDerWaalsContact OG1-N 3.14Å; T461-S464 PolarHBondContact OG1-OG 3.22Å; S464-D466 PolarHBondContact O-N 3.35Å; S464-E467 VanDerWaalsContact CB-O 3.3Å; S464-E467 WeakPolarHBondContact CB-O 3.17Å; S464-E467 PolarHBondContact O-N 2.69Å; S464-E467 PolarHBondContact OG-O 2.99Å
465G90.9Very high96.2Very high41 Ų4143.4 Ų43.442%0.42324%0.236SC..THydrogen-bonded Turntrans62.1-123.8-174.900000110.9Q463 K493Q463-G465 VanDerWaalsContact C-N 3.34Å; Q463-G465 PolarHBondContact O-N 3.24Å; G465-K493 WeakPolarHBondContact O-CE 3.43Å; G465-K493 PolarHBondContact O-NZ 2.89Å
466D90.5Very high96.2Very high142 Ų14244.1 Ų44.176%0.75925%0.25SC*.THydrogen-bonded Turntrans-90-5.3178.7-65.5-33.9000114.4H460 S464 K493H460-D466 PolarHBondContact CE1-O 3.49Å; S464-D466 PolarHBondContact O-N 3.35Å; D466-K493 IonicContact OD1-NZ 2.72Å; D466-K493 PolarHBondContact OD1-NZ 2.6Å
467E92.9Very high96.2Very high119 Ų11949.1 Ų49.156%0.55627%0.268SS*.SBendtrans-79.7149.9170-67.2-161.8-168.200111.1K425 H460 S464K425-E467 IonicContact NZ-OE2 2.74Å; K425-E467 PolarHBondContact NZ-OE2 3.06Å; H460-E467 PolarHBondContact ND1-O 2.94Å; H460-E467 VanDerWaalsContact ND1-O 3.1Å; S464-E467 VanDerWaalsContact CB-O 3.3Å; S464-E467 WeakPolarHBondContact CB-O 3.17Å; S464-E467 PolarHBondContact O-N 2.69Å; S464-E467 PolarHBondContact OG-O 2.99Å
468V93.6Very high96.1Very high50 Ų5050.5 Ų50.530%0.30328%0.275SS..  trans-92.8145.8167.4-64.40000109.4R458 Y459 H460R458-V468 HydrophobicContact CB-CB 4.01Å; R458-V468 HydrophobicContact CB-CG2 3.93Å; R458-V468 HydrophobicContact CG-CG2 4.5Å; Y459-V468 CarbonylContact O-C 3.58Å; Y459-V468 WeakPolarHBondContact O-CA 3.34Å; H460-V468 VanDerWaalsContact CE1-CG1 3.42Å; H460-V468 WeakPolarHBondContact CE1-CG1 3.47Å
469T96.3Very high95.9Very high9 Ų952.8 Ų52.86%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-130.7154.2-178.1-176.50000109.7R458 Y459 T461 E473 R477R458-T469 WeakPolarHBondContact CA-O 3.29Å; Y459-T469 PolarHBondContact N-O 3.14Å; Y459-T469 PolarHBondContact O-N 3.1Å; T461-T469 HydrophobicContact CG2-CG2 3.34Å; T469-E473 WeakPolarHBondContact CA-OE2 3.22Å; T469-E473 VanDerWaalsContact CB-OE2 3.3Å; T469-E473 WeakPolarHBondContact CB-OE2 3.43Å; T469-E473 WeakPolarHBondContact OG1-CB 3.49Å; T469-E473 PolarHBondContact OG1-OE2 3.38Å; T469-R477 PolarHBondContact OG1-NH2 3.29Å
470S97.6Very high95.5Very high6 Ų662.1 Ų62.14%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-79.3164.9175.576.20000112.1S472 E473 Y474S470-S472 VanDerWaalsContact C-N 3.3Å; S470-S472 PolarHBondContact OG-N 2.88Å; S470-S472 PolarHBondContact OG-OG 2.89Å; S470-E473 PolarHBondContact N-OE2 2.83Å; S470-E473 PolarHBondContact O-N 2.75Å; S470-E473 WeakPolarHBondContact OG-CB 3.46Å; S470-E473 VanDerWaalsContact OG-CG 3.28Å; S470-E473 WeakPolarHBondContact OG-CG 3.49Å; S470-E473 PolarHBondContact OG-N 2.87Å; S470-Y474 PolarHBondContact O-N 3.4Å; S470-Y474 VanDerWaalsContact O-N 3.07Å
471L97.6Very high95.1Very high3 Ų363.9 Ų63.92%0.01635%0.345CS..Hα-helixtrans-67-32.1171.3-65.7178.2000112.2L457 Y459 Y474 V475 V513 L527 F530L457-L471 HydrophobicContact CD1-CD1 4.32Å; Y459-L471 HydrophobicContact CD2-CD2 4.12Å; Y459-L471 HydrophobicContact CD2-CG 4.47Å; Y459-L471 HydrophobicContact CE2-CD2 4.33Å; Y459-L471 HydrophobicContact CE2-CG 4.44Å; L471-Y474 WeakPolarHBondContact O-CB 3.39Å; L471-Y474 PolarHBondContact O-N 2.86Å; L471-V475 VanDerWaalsContact O-CG2 3.3Å; L471-V475 WeakPolarHBondContact O-CG2 3.38Å; L471-V475 PolarHBondContact O-N 3.17Å; L471-V513 HydrophobicContact CD2-CG2 4.45Å; L471-L527 HydrophobicContact CD1-CD2 3.84Å; L471-F530 HydrophobicContact CB-CD1 3.69Å; L471-F530 HydrophobicContact CB-CD2 4.17Å; L471-F530 HydrophobicContact CB-CE1 3.51Å; L471-F530 HydrophobicContact CB-CE2 4Å; L471-F530 HydrophobicContact CB-CG 4.03Å; L471-F530 HydrophobicContact CB-CZ 3.68Å; L471-F530 HydrophobicContact CD1-CB 4.48Å; L471-F530 HydrophobicContact CD1-CD2 3.87Å; L471-F530 HydrophobicContact CD1-CE2 4.25Å; L471-F530 HydrophobicContact CD1-CG 4.02Å
472S97.1Very high94.9Very high54 Ų5464 Ų6438%0.37835%0.345SS..Hα-helixtrans-66.9-40.3175.452.60000112.1S470 V475 S476S470-S472 VanDerWaalsContact C-N 3.3Å; S470-S472 PolarHBondContact OG-N 2.88Å; S470-S472 PolarHBondContact OG-OG 2.89Å; S472-V475 PolarHBondContact O-N 3.1Å; S472-S476 PolarHBondContact O-N 3.17Å
473E97.1Very high94.7Very high81 Ų8170.6 Ų70.638%0.37937%0.37SS..Hα-helixtrans-63.1-41.6173-76.217515900111.3T469 S470 S476 R477T469-E473 WeakPolarHBondContact CA-OE2 3.22Å; T469-E473 VanDerWaalsContact CB-OE2 3.3Å; T469-E473 WeakPolarHBondContact CB-OE2 3.43Å; T469-E473 WeakPolarHBondContact OG1-CB 3.49Å; T469-E473 PolarHBondContact OG1-OE2 3.38Å; S470-E473 PolarHBondContact N-OE2 2.83Å; S470-E473 PolarHBondContact O-N 2.75Å; S470-E473 WeakPolarHBondContact OG-CB 3.46Å; S470-E473 VanDerWaalsContact OG-CG 3.28Å; S470-E473 WeakPolarHBondContact OG-CG 3.49Å; S470-E473 PolarHBondContact OG-N 2.87Å; E473-S476 PolarHBondContact O-N 3.32Å; E473-S476 PolarHBondContact O-OG 2.69Å; E473-R477 PolarHBondContact O-N 3.42Å; E473-R477 PolarHBondContact O-NH1 2.88Å
474Y98.2Very high94.7Very high2 Ų265.7 Ų65.71%0.00835%0.349CS..Hα-helixtrans-57.6-49.2171179-77.7000111.3T461 S470 L471 S476 R477 M478 Q482 I485 Y486 E511 V513T461-Y474 HydrophobicContact CG2-CD2 4.35Å; S470-Y474 PolarHBondContact O-N 3.4Å; S470-Y474 VanDerWaalsContact O-N 3.07Å; L471-Y474 WeakPolarHBondContact O-CB 3.39Å; L471-Y474 PolarHBondContact O-N 2.86Å; Y474-S476 VanDerWaalsContact C-N 3.27Å; Y474-S476 PolarHBondContact O-N 3.21Å; Y474-R477 CarbonylContact O-C 3.57Å; Y474-R477 PolarHBondContact O-N 3.47Å; Y474-M478 HydrophobicContact CD1-CG 3.89Å; Y474-M478 HydrophobicContact CD1-SD 4.2Å; Y474-M478 HydrophobicContact CE1-CG 3.67Å; Y474-M478 HydrophobicContact CE1-SD 4.03Å; Y474-M478 PolarHBondContact O-N 3.26Å; Y474-M478 VanDerWaalsContact O-N 3.14Å; Y474-Q482 PolarHBondContact OH-NE2 2.89Å; Y474-I485 HydrophobicContact CD1-CB 4.43Å; Y474-I485 HydrophobicContact CD1-CG1 3.96Å; Y474-I485 HydrophobicContact CD1-CG2 4.02Å; Y474-I485 HydrophobicContact CE1-CB 3.93Å; Y474-I485 HydrophobicContact CE1-CG1 3.78Å; Y474-I485 HydrophobicContact CE1-CG2 3.7Å; Y474-I485 HydrophobicContact CE2-CG2 4.48Å; Y474-Y486 PolarHBondContact OH-N 2.99Å; Y474-Y486 VanDerWaalsContact OH-N 3.1Å; Y474-E511 HydrophobicContact CD2-CB 4.14Å; Y474-E511 HydrophobicContact CD2-CG 3.76Å; Y474-E511 HydrophobicContact CE2-CB 3.59Å; Y474-E511 HydrophobicContact CE2-CG 3.6Å; Y474-E511 WeakPolarHBondContact CE2-O 3.5Å; Y474-E511 PolarHBondContact OH-O 3.24Å; Y474-V513 HydrophobicContact CD2-CG2 3.73Å; Y474-V513 HydrophobicContact CE2-CG2 3.79Å; Y474-V513 HydrophobicContact CG-CG2 4.42Å
475V97.6Very high94.9Very high34 Ų3464.3 Ų64.321%0.20634%0.339CS..Hα-helixtrans-59.4-39-179.8171.30000111.3L471 S472 R477 M478 I485 F530L471-V475 VanDerWaalsContact O-CG2 3.3Å; L471-V475 WeakPolarHBondContact O-CG2 3.38Å; L471-V475 PolarHBondContact O-N 3.17Å; S472-V475 PolarHBondContact O-N 3.1Å; V475-R477 PolarHBondContact O-N 2.94Å; V475-M478 HydrophobicContact CB-SD 4.18Å; V475-M478 HydrophobicContact CG1-SD 4.24Å; V475-M478 HydrophobicContact CG2-SD 3.93Å; V475-M478 WeakPolarHBondContact O-CB 3.37Å; V475-M478 PolarHBondContact O-N 3.27Å; V475-M478 VanDerWaalsContact O-N 3.16Å; V475-I485 HydrophobicContact CG2-CD1 4.06Å; V475-I485 HydrophobicContact CG2-CG1 4.49Å; V475-F530 HydrophobicContact CG2-CD1 3.99Å; V475-F530 HydrophobicContact CG2-CE1 4.21Å
476S97.5Very high95.3Very high95 Ų9562.7 Ų62.766%0.66432%0.321SS*.Hα-helixtrans-63.8-23.5176.778.60000114.1S472 E473 Y474S472-S476 PolarHBondContact O-N 3.17Å; E473-S476 PolarHBondContact O-N 3.32Å; E473-S476 PolarHBondContact O-OG 2.69Å; Y474-S476 VanDerWaalsContact C-N 3.27Å; Y474-S476 PolarHBondContact O-N 3.21Å
477R97Very high95.6Very high110 Ų11056.8 Ų56.842%0.41529%0.288SS..THydrogen-bonded Turntrans-99.90177.9-64.6-173.9-62.6-912.7113.4T469 E473 Y474 V475 E511T469-R477 PolarHBondContact OG1-NH2 3.29Å; E473-R477 PolarHBondContact O-N 3.42Å; E473-R477 PolarHBondContact O-NH1 2.88Å; Y474-R477 CarbonylContact O-C 3.57Å; Y474-R477 PolarHBondContact O-N 3.47Å; V475-R477 PolarHBondContact O-N 2.94Å; R477-E511 IonicContact CZ-OE1 3.08Å; R477-E511 IonicContact CZ-OE2 3.32Å; R477-E511 IonicContact NE-OE1 2.6Å; R477-E511 IonicContact NE-OE2 3.57Å; R477-E511 PolarHBondContact NE-OE2 3.1Å; R477-E511 IonicContact NH2-OE1 2.7Å; R477-E511 PolarHBondContact NH2-OE1 3.4Å; R477-E511 IonicContact NH2-OE2 2.72Å
478M96.1Very high95.9Very high28 Ų2851.3 Ų51.314%0.13826%0.262CS..  trans-62.3139.8177.8-74.317773.300110.6Y474 V475 Q482 S484 I485 K533Y474-M478 HydrophobicContact CD1-CG 3.89Å; Y474-M478 HydrophobicContact CD1-SD 4.2Å; Y474-M478 HydrophobicContact CE1-CG 3.67Å; Y474-M478 HydrophobicContact CE1-SD 4.03Å; Y474-M478 PolarHBondContact O-N 3.26Å; Y474-M478 VanDerWaalsContact O-N 3.14Å; V475-M478 HydrophobicContact CB-SD 4.18Å; V475-M478 HydrophobicContact CG1-SD 4.24Å; V475-M478 HydrophobicContact CG2-SD 3.93Å; V475-M478 WeakPolarHBondContact O-CB 3.37Å; V475-M478 PolarHBondContact O-N 3.27Å; V475-M478 VanDerWaalsContact O-N 3.16Å; M478-Q482 HydrophobicContact CB-CB 4.39Å; M478-Q482 HydrophobicContact CE-CB 4.04Å; M478-Q482 HydrophobicContact CE-CG 3.63Å; M478-Q482 WeakPolarHBondContact CE-O 3.44Å; M478-S484 WeakPolarHBondContact CE-O 3.37Å; M478-I485 HydrophobicContact SD-CG1 4.31Å; M478-K533 HydrophobicContact CE-CB 4.45Å; M478-K533 HydrophobicContact CE-CD 3.92Å; M478-K533 HydrophobicContact CE-CG 4.03Å; M478-K533 HydrophobicContact SD-CD 4.37Å; M478-K533 HydrophobicContact SD-CG 3.98Å
479K94.1Very high96.1Very high88 Ų8849.4 Ų49.438%0.38325%0.251SS..  trans-67.2153.8173.1-62.8-172.3175-179.70110.6T481 Q482 R508 G509 F510K479-T481 PolarHBondContact O-N 3.01Å; K479-T481 VanDerWaalsContact O-N 3.17Å; K479-Q482 HydrophobicContact CB-CB 4.19Å; K479-Q482 WeakPolarHBondContact O-CA 3.5Å; K479-Q482 WeakPolarHBondContact O-CB 3.33Å; K479-Q482 PolarHBondContact O-N 2.86Å; K479-R508 PolarHBondContact NZ-O 3.26Å; K479-G509 WeakPolarHBondContact CE-O 3.42Å; K479-G509 PolarHBondContact NZ-O 3.39Å; K479-F510 HydrophobicContact CB-CE1 4.18Å; K479-F510 HydrophobicContact CD-CD1 4.02Å; K479-F510 HydrophobicContact CD-CE1 3.72Å; K479-F510 HydrophobicContact CD-CZ 4.48Å; K479-F510 HydrophobicContact CG-CD1 4.4Å; K479-F510 HydrophobicContact CG-CE1 4.24Å
480E90.6Very high96Very high205 Ų20549.1 Ų49.196%0.95825%0.25SS*.THydrogen-bonded Turntrans-57.3-33.8177.7-62.6-176.4174.200113Q482E480-Q482 VanDerWaalsContact C-N 3.28Å; E480-Q482 PolarHBondContact O-N 3.21Å
481T90Very high95.7Very high89 Ų8953.7 Ų53.755%0.54627%0.27SS..THydrogen-bonded Turntrans-80.1-7.9177.355.90000113.6K479K479-T481 PolarHBondContact O-N 3.01Å; K479-T481 VanDerWaalsContact O-N 3.17Å
482Q92.6Very high95.6Very high5 Ų556 Ų562%0.02329%0.287CS..  trans-88.1117.8-175.5-165.3-177.4-20.200111.1Y474 M478 K479 E480 S484 Y486 F510Y474-Q482 PolarHBondContact OH-NE2 2.89Å; M478-Q482 HydrophobicContact CB-CB 4.39Å; M478-Q482 HydrophobicContact CE-CB 4.04Å; M478-Q482 HydrophobicContact CE-CG 3.63Å; M478-Q482 WeakPolarHBondContact CE-O 3.44Å; K479-Q482 HydrophobicContact CB-CB 4.19Å; K479-Q482 WeakPolarHBondContact O-CA 3.5Å; K479-Q482 WeakPolarHBondContact O-CB 3.33Å; K479-Q482 PolarHBondContact O-N 2.86Å; E480-Q482 VanDerWaalsContact C-N 3.28Å; E480-Q482 PolarHBondContact O-N 3.21Å; Q482-S484 WeakPolarHBondContact CG-O 3.48Å; Q482-S484 PolarHBondContact NE2-O 2.87Å; Q482-Y486 HydrophobicContact CG-CE2 3.95Å; Q482-F510 HydrophobicContact CB-CD1 4.36Å; Q482-F510 HydrophobicContact CB-CE1 4.06Å; Q482-F510 HydrophobicContact CG-CD1 4.12Å; Q482-F510 HydrophobicContact CG-CE1 4.21Å
483K92.3Very high95.6Very high168 Ų16856 Ų5673%0.7328%0.28SS*.  trans-100.5-11.8-179-62.6-178.2-177.5176.50114K533K483-K533 WeakPolarHBondContact O-CD 3.42Å
484S95.9Very high95.5Very high20 Ų2059 Ų5914%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-139.7152.4-171.2-58.80000112.2M478 Q482 S534M478-S484 WeakPolarHBondContact CE-O 3.37Å; Q482-S484 WeakPolarHBondContact CG-O 3.48Å; Q482-S484 PolarHBondContact NE2-O 2.87Å; S484-S534 CarbonylContact C-O 3.55Å; S484-S534 VanDerWaalsContact CA-O 3.24Å; S484-S534 WeakPolarHBondContact CA-O 3.48Å; S484-S534 WeakPolarHBondContact CB-O 3.42Å; S484-S534 PolarHBondContact OG-OG 3Å
485I97.8Very high95.4Very high1 Ų162.5 Ų62.51%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-85.1118.2172.5-60.9171.5000107.8Y474 V475 M478 V513 F530 K533 S534 L535 V536Y474-I485 HydrophobicContact CD1-CB 4.43Å; Y474-I485 HydrophobicContact CD1-CG1 3.96Å; Y474-I485 HydrophobicContact CD1-CG2 4.02Å; Y474-I485 HydrophobicContact CE1-CB 3.93Å; Y474-I485 HydrophobicContact CE1-CG1 3.78Å; Y474-I485 HydrophobicContact CE1-CG2 3.7Å; Y474-I485 HydrophobicContact CE2-CG2 4.48Å; V475-I485 HydrophobicContact CG2-CD1 4.06Å; V475-I485 HydrophobicContact CG2-CG1 4.49Å; M478-I485 HydrophobicContact SD-CG1 4.31Å; I485-V513 HydrophobicContact CG2-CG2 3.97Å; I485-F530 HydrophobicContact CD1-CB 4.01Å; I485-F530 HydrophobicContact CD1-CD1 4.21Å; I485-K533 HydrophobicContact CD1-CB 4.29Å; I485-K533 HydrophobicContact CG1-CB 4.1Å; I485-S534 PolarHBondContact N-O 3.22Å; I485-L535 HydrophobicContact CB-CG 4.26Å; I485-L535 HydrophobicContact CD1-CD1 4.29Å; I485-L535 HydrophobicContact CD1-CG 4.47Å; I485-V536 PolarHBondContact O-N 3.41Å
486Y98.1Very high95.3Very high8 Ų861 Ų613%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-87.3129.6177.9-61.2-67.8000110.3Y474 Q482 V505 F510 V512 V513 V536 V538 L543 E544 L545Y474-Y486 PolarHBondContact OH-N 2.99Å; Y474-Y486 VanDerWaalsContact OH-N 3.1Å; Q482-Y486 HydrophobicContact CG-CE2 3.95Å; Y486-V505 HydrophobicContact CD2-CG1 4.37Å; Y486-V505 HydrophobicContact CG-CG1 4.44Å; Y486-F510 HydrophobicContact CD2-CB 4.07Å; Y486-F510 HydrophobicContact CD2-CG 4.35Å; Y486-F510 HydrophobicContact CE2-CB 4.2Å; Y486-F510 HydrophobicContact CE2-CD1 4.23Å; Y486-F510 HydrophobicContact CE2-CD2 4.26Å; Y486-F510 AromaticContact CE2-CG 3.97Å; Y486-F510 HydrophobicContact CE2-CG 3.97Å; Y486-V512 WeakPolarHBondContact O-CA 3.49Å; Y486-V513 PolarHBondContact O-N 2.52Å; Y486-V536 WeakPolarHBondContact CA-O 3.27Å; Y486-V536 HydrophobicContact CD1-CB 4.37Å; Y486-V536 HydrophobicContact CD1-CG1 4.5Å; Y486-V538 HydrophobicContact CD1-CG1 4.4Å; Y486-L543 HydrophobicContact CD1-CD1 3.89Å; Y486-L543 HydrophobicContact CE1-CD1 3.76Å; Y486-E544 PolarHBondContact OH-O 3.37Å; Y486-E544 VanDerWaalsContact OH-O 3.07Å; Y486-L545 HydrophobicContact CE1-CD2 4.04Å; Y486-L545 HydrophobicContact CE2-CD2 4.44Å
487Y98.2Very high95.3Very high18 Ų1857.3 Ų57.37%0.07128%0.277CS..EExtended strand (participates in β ladder)trans-137.5160.4177.774.1-89.3000112.3T489 V513 M515 V524 L535 V536 S537 V538Y487-T489 HydrophobicContact CD2-CG2 4.24Å; Y487-T489 HydrophobicContact CE2-CG2 4.16Å; Y487-V513 CarbonylContact C-O 3.59Å; Y487-V513 VanDerWaalsContact CA-O 3.32Å; Y487-V513 WeakPolarHBondContact CA-O 3.42Å; Y487-M515 HydrophobicContact CD2-CE 4.21Å; Y487-M515 HydrophobicContact CD2-SD 3.79Å; Y487-M515 HydrophobicContact CE2-SD 4.38Å; Y487-M515 HydrophobicContact CG-CE 4.18Å; Y487-M515 HydrophobicContact CG-SD 4.35Å; Y487-V524 HydrophobicContact CD1-CG2 4.26Å; Y487-V524 HydrophobicContact CD2-CG2 4.25Å; Y487-V524 HydrophobicContact CE1-CG2 3.63Å; Y487-V524 HydrophobicContact CE2-CB 4.34Å; Y487-V524 HydrophobicContact CE2-CG1 3.96Å; Y487-V524 HydrophobicContact CE2-CG2 3.66Å; Y487-V524 WeakPolarHBondContact OH-CG2 3.46Å; Y487-L535 HydrophobicContact CD1-CB 4.02Å; Y487-L535 HydrophobicContact CE1-CB 3.8Å; Y487-V536 WeakPolarHBondContact CD1-O 3.31Å; Y487-V536 PolarHBondContact N-O 3.01Å; Y487-V536 VanDerWaalsContact N-O 3.07Å; Y487-S537 VanDerWaalsContact CE1-N 3.27Å; Y487-S537 WeakPolarHBondContact O-CA 3.11Å; Y487-V538 WeakPolarHBondContact O-CG2 3.17Å; Y487-V538 PolarHBondContact O-N 3.18Å
488I98.1Very high95.2Very high3 Ų357.7 Ų57.72%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-137.2137171.6-174.7166.2000109.7V496 F501 V502 V512 V513 Y514 M515 V538 T539I488-V496 HydrophobicContact CD1-CB 4.08Å; I488-V496 HydrophobicContact CD1-CG1 4.29Å; I488-V496 HydrophobicContact CG1-CB 4.12Å; I488-V496 HydrophobicContact CG1-CG1 4.04Å; I488-V496 HydrophobicContact CG2-CB 3.72Å; I488-V496 HydrophobicContact CG2-CG1 4.33Å; I488-V496 HydrophobicContact CG2-CG2 4.16Å; I488-F501 HydrophobicContact CD1-CB 4.08Å; I488-F501 HydrophobicContact CD1-CD2 4.4Å; I488-V502 HydrophobicContact CB-CG1 4.47Å; I488-V502 HydrophobicContact CD1-CG1 4.12Å; I488-V502 HydrophobicContact CG2-CG1 4.1Å; I488-V512 HydrophobicContact CB-CG1 4.37Å; I488-V512 HydrophobicContact CG2-CG1 3.82Å; I488-V513 PolarHBondContact N-O 3Å; I488-Y514 HydrophobicContact CG2-CD1 3.45Å; I488-Y514 VanDerWaalsContact CG2-CD1 3.45Å; I488-Y514 HydrophobicContact CG2-CE1 3.78Å; I488-M515 PolarHBondContact O-N 3.14Å; I488-V538 HydrophobicContact CB-CG2 3.66Å; I488-V538 HydrophobicContact CD1-CG2 4.02Å; I488-V538 HydrophobicContact CG1-CG2 4.08Å; I488-T539 HydrophobicContact CD1-CG2 4.18Å; I488-T539 HydrophobicContact CG1-CG2 3.86Å
489T97.5Very high95.2Very high10 Ų1057.2 Ų57.26%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-103.7146.8173.154.30000110.3Y487 M515 E521Y487-T489 HydrophobicContact CD2-CG2 4.24Å; Y487-T489 HydrophobicContact CE2-CG2 4.16Å; T489-M515 CarbonylContact C-O 3.42Å; T489-M515 VanDerWaalsContact CA-O 3.29Å; T489-M515 WeakPolarHBondContact CA-O 3.43Å; T489-M515 HydrophobicContact CG2-CB 3.74Å; T489-M515 HydrophobicContact CG2-CG 4.44Å; T489-M515 HydrophobicContact CG2-SD 3.94Å; T489-E521 VanDerWaalsContact CB-OE1 3.29Å; T489-E521 WeakPolarHBondContact CB-OE1 3.33Å; T489-E521 HydrophobicContact CG2-CG 4.21Å; T489-E521 PolarHBondContact OG1-OE1 3.02Å
490G94.5Very high95.3Very high4 Ų453.8 Ų53.84%0.04128%0.275CS..  trans-173-169.2176.100000113.2M515 T516G490-M515 PolarHBondContact N-O 2.97Å; G490-T516 WeakPolarHBondContact O-CA 3.38Å
491E92.6Very high95.6Very high101 Ų10144.4 Ų44.447%0.47223%0.231SC..SBendtrans-82.9-32.6-175.3-58.8-172.9129.900113Q495 R606E491-Q495 PolarHBondContact OE2-NE2 2.81Å; E491-R606 WeakPolarHBondContact OE1-CD 3.42Å; E491-R606 IonicContact OE1-CZ 3.46Å; E491-R606 IonicContact OE1-NE 2.64Å; E491-R606 PolarHBondContact OE1-NE 2.91Å; E491-R606 IonicContact OE1-NH1 2.69Å; E491-R606 PolarHBondContact OE1-NH1 3.48Å
492S95.8Very high95.9Very high51 Ų5140.1 Ų40.136%0.35721%0.205SC..  trans-148.9157.8-178.978.30000111.5E494 Q495 V496S492-E494 VanDerWaalsContact C-N 3.28Å; S492-E494 PolarHBondContact O-N 3.21Å; S492-Q495 PolarHBondContact O-N 3.47Å; S492-Q495 WeakPolarHBondContact OG-CB 3.24Å; S492-Q495 PolarHBondContact OG-N 2.64Å; S492-V496 WeakPolarHBondContact O-CG2 3.28Å; S492-V496 PolarHBondContact O-N 3.27Å
493K95.8Very high96Very high55 Ų5541.8 Ų41.824%0.23921%0.212CC..Hα-helixtrans-57.9-42.9177.1-178.9-176.8176.6-178.50111.3H460 G465 D466 V496 A497 T516H460-K493 HydrophobicContact CB-CD 4.44Å; G465-K493 WeakPolarHBondContact O-CE 3.43Å; G465-K493 PolarHBondContact O-NZ 2.89Å; D466-K493 IonicContact OD1-NZ 2.72Å; D466-K493 PolarHBondContact OD1-NZ 2.6Å; K493-V496 WeakPolarHBondContact O-CG2 3.44Å; K493-A497 WeakPolarHBondContact O-CB 3.27Å; K493-A497 PolarHBondContact O-N 3.41Å; K493-T516 HydrophobicContact CB-CG2 4.25Å
494E96Very high96.1Very high144 Ų14435.7 Ų35.767%0.67319%0.185SC*.Hα-helixtrans-64.3-44-179.6-173.5176.7-17400112S492 V496 A497 N498S492-E494 VanDerWaalsContact C-N 3.28Å; S492-E494 PolarHBondContact O-N 3.21Å; E494-V496 PolarHBondContact O-N 2.66Å; E494-A497 PolarHBondContact O-N 3.3Å; E494-N498 WeakPolarHBondContact O-CB 3.49Å; E494-N498 PolarHBondContact O-N 3.24Å; E494-N498 PolarHBondContact O-ND2 3.39Å
495Q95.7Very high96Very high76 Ų7634.8 Ų34.836%0.35518%0.178SC..Hα-helixtrans-58.5-50.7177.9-179-170.661.800111.1E491 S492 N498 S499E491-Q495 PolarHBondContact OE2-NE2 2.81Å; S492-Q495 PolarHBondContact O-N 3.47Å; S492-Q495 WeakPolarHBondContact OG-CB 3.24Å; S492-Q495 PolarHBondContact OG-N 2.64Å; Q495-N498 PolarHBondContact O-N 2.86Å; Q495-S499 PolarHBondContact O-N 2.89Å
496V96.2Very high95.8Very high3 Ų339.3 Ų39.32%0.01820%0.195CC..Hα-helixtrans-73.9-30-177.9-60.50000112.8I488 S492 K493 E494 N498 S499 Y514I488-V496 HydrophobicContact CD1-CB 4.08Å; I488-V496 HydrophobicContact CD1-CG1 4.29Å; I488-V496 HydrophobicContact CG1-CB 4.12Å; I488-V496 HydrophobicContact CG1-CG1 4.04Å; I488-V496 HydrophobicContact CG2-CB 3.72Å; I488-V496 HydrophobicContact CG2-CG1 4.33Å; I488-V496 HydrophobicContact CG2-CG2 4.16Å; S492-V496 WeakPolarHBondContact O-CG2 3.28Å; S492-V496 PolarHBondContact O-N 3.27Å; K493-V496 WeakPolarHBondContact O-CG2 3.44Å; E494-V496 PolarHBondContact O-N 2.66Å; V496-N498 VanDerWaalsContact C-N 3.31Å; V496-S499 WeakPolarHBondContact O-CB 3.25Å; V496-S499 PolarHBondContact O-N 2.86Å; V496-Y514 HydrophobicContact CB-CD1 4.22Å; V496-Y514 HydrophobicContact CG2-CD1 3.46Å; V496-Y514 VanDerWaalsContact CG2-CD1 3.46Å; V496-Y514 HydrophobicContact CG2-CE1 4.18Å; V496-Y514 HydrophobicContact CG2-CG 3.83Å
497A95.9Very high95.5Very high17 Ų1745.7 Ų45.714%0.1422%0.223CC..Hα-helixtrans-69-30.1174.600000112K493 E494 R506 Y514K493-A497 WeakPolarHBondContact O-CB 3.27Å; K493-A497 PolarHBondContact O-N 3.41Å; E494-A497 PolarHBondContact O-N 3.3Å; A497-R506 PolarHBondContact O-NH1 3.04Å; A497-R506 PolarHBondContact O-NH2 3.27Å; A497-Y514 HydrophobicContact CB-CE2 4.42Å
498N95.7Very high95.2Very high117 Ų11747.7 Ų47.763%0.62623%0.231SC*.THydrogen-bonded Turntrans-97.48.5177.2-66.4-34.5000113E494 Q495 V496E494-N498 WeakPolarHBondContact O-CB 3.49Å; E494-N498 PolarHBondContact O-N 3.24Å; E494-N498 PolarHBondContact O-ND2 3.39Å; Q495-N498 PolarHBondContact O-N 2.86Å; V496-N498 VanDerWaalsContact C-N 3.31Å
499S96.5Very high95Very high18 Ų1849.1 Ų49.113%0.12625%0.246CC..  trans-70.3139.9-178.7-175.50000112.4Q495 V496 F501 V502Q495-S499 PolarHBondContact O-N 2.89Å; V496-S499 WeakPolarHBondContact O-CB 3.25Å; V496-S499 PolarHBondContact O-N 2.86Å; S499-F501 PolarHBondContact O-N 2.79Å; S499-F501 VanDerWaalsContact OG-CD2 3.3Å; S499-F501 WeakPolarHBondContact OG-CD2 3.45Å; S499-F501 PolarHBondContact OG-N 2.8Å; S499-V502 VanDerWaalsContact O-CG2 3.23Å; S499-V502 WeakPolarHBondContact O-CG2 3.36Å; S499-V502 PolarHBondContact O-N 2.68Å; S499-V502 VanDerWaalsContact O-N 3.15Å
500A95.4Very high94.9Very high17 Ų1749 Ų4914%0.1425%0.245CC..Hα-helixtrans-56-26.4172.900000112.8V502 E503 L586A500-V502 VanDerWaalsContact C-N 3.28Å; A500-V502 PolarHBondContact O-N 2.78Å; A500-E503 PolarHBondContact O-N 2.91Å; A500-L586 HydrophobicContact CB-CD2 3.87Å
501F96.9Very high95.1Very high7 Ų749.4 Ų49.43%0.03125%0.246CC..Hα-helixtrans-65-27-179.9-71.5-60000114.7I488 S499 V538 T539 C592 I593 V594I488-F501 HydrophobicContact CD1-CB 4.08Å; I488-F501 HydrophobicContact CD1-CD2 4.4Å; S499-F501 PolarHBondContact O-N 2.79Å; S499-F501 VanDerWaalsContact OG-CD2 3.3Å; S499-F501 WeakPolarHBondContact OG-CD2 3.45Å; S499-F501 PolarHBondContact OG-N 2.8Å; F501-V538 HydrophobicContact CB-CB 4.27Å; F501-V538 HydrophobicContact CB-CG2 3.74Å; F501-V538 WeakPolarHBondContact CD1-O 3.37Å; F501-T539 HydrophobicContact CD2-CG2 3.91Å; F501-T539 HydrophobicContact CE2-CG2 4.14Å; F501-T539 HydrophobicContact CG-CG2 4.33Å; F501-C592 HydrophobicContact CE1-CB 4.44Å; F501-C592 HydrophobicContact CZ-CB 4.4Å; F501-I593 WeakPolarHBondContact CZ-O 3.36Å; F501-V594 HydrophobicContact CE1-CG1 3.63Å; F501-V594 HydrophobicContact CZ-CG1 4.13Å
502V96.3Very high95.3Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-98.8-5.8-175.9-60.80000113I488 S499 A500 V505 R506 V512 V538I488-V502 HydrophobicContact CB-CG1 4.47Å; I488-V502 HydrophobicContact CD1-CG1 4.12Å; I488-V502 HydrophobicContact CG2-CG1 4.1Å; S499-V502 VanDerWaalsContact O-CG2 3.23Å; S499-V502 WeakPolarHBondContact O-CG2 3.36Å; S499-V502 PolarHBondContact O-N 2.68Å; S499-V502 VanDerWaalsContact O-N 3.15Å; A500-V502 VanDerWaalsContact C-N 3.28Å; A500-V502 PolarHBondContact O-N 2.78Å; V502-V505 PolarHBondContact O-N 3.04Å; V502-R506 WeakPolarHBondContact O-CB 3.36Å; V502-R506 VanDerWaalsContact O-CG 3.27Å; V502-R506 WeakPolarHBondContact O-CG 3.2Å; V502-R506 PolarHBondContact O-N 3.38Å; V502-V512 HydrophobicContact CB-CG2 4.4Å; V502-V512 HydrophobicContact CG1-CB 4.34Å; V502-V512 HydrophobicContact CG1-CG1 3.9Å; V502-V512 HydrophobicContact CG1-CG2 4.15Å; V502-V538 HydrophobicContact CG1-CG2 4.1Å
503E94.7Very high95.5Very high40 Ų4042.2 Ų42.219%0.18721%0.206CC..Hα-helixtrans-63.4-54.9-173.5-62.6-177.5146.200112.6A500 V505 R506 K507 V587 S588A500-E503 PolarHBondContact O-N 2.91Å; E503-V505 VanDerWaalsContact C-N 3.31Å; E503-V505 PolarHBondContact O-N 3.36Å; E503-R506 PolarHBondContact O-N 3.11Å; E503-K507 PolarHBondContact O-N 2.82Å; E503-V587 HydrophobicContact CB-CB 3.8Å; E503-V587 HydrophobicContact CB-CG2 3.59Å; E503-V587 WeakPolarHBondContact OE2-CA 3.43Å; E503-V587 WeakPolarHBondContact OE2-CB 3.36Å; E503-V587 PolarHBondContact OE2-N 2.9Å; E503-S588 WeakPolarHBondContact OE1-CB 3.39Å; E503-S588 PolarHBondContact OE1-OG 2.79Å; E503-S588 PolarHBondContact OE2-N 3.15Å
504R93.9Very high95.6Very high40 Ų4040 Ų4015%0.15120%0.197CC..Hα-helixtrans-67.7-36.2178.9-173.16859.7173.20.8111.4R506 K507 R508 L545 N584 R585 L586 V587R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.16Å; R504-K507 PolarHBondContact O-N 3.4Å; R504-K507 VanDerWaalsContact O-N 3.14Å; R504-R508 HydrophobicContact CG-CG 4.34Å; R504-R508 VanDerWaalsContact O-CG 3.3Å; R504-R508 WeakPolarHBondContact O-CG 3.42Å; R504-R508 PolarHBondContact O-N 3.03Å; R504-L545 HydrophobicContact CB-CD1 4.13Å; R504-L545 HydrophobicContact CG-CD1 3.71Å; R504-N584 WeakPolarHBondContact CD-O 3.29Å; R504-N584 VanDerWaalsContact CG-O 3.25Å; R504-N584 WeakPolarHBondContact CG-O 3.21Å; R504-N584 PolarHBondContact NE-O 3.4Å; R504-R585 VanDerWaalsContact CB-C 3.47Å; R504-R585 WeakPolarHBondContact CB-O 3.3Å; R504-R585 PolarHBondContact N-O 3.26Å; R504-L586 PolarHBondContact NH2-O 3.43Å; R504-V587 HydrophobicContact CB-CG2 4.13Å
505V94.9Very high95.7Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-57.6-46.3177.6-170.80000110Y486 V502 E503 R508 G509 F510 V512 V538 L543 L545Y486-V505 HydrophobicContact CD2-CG1 4.37Å; Y486-V505 HydrophobicContact CG-CG1 4.44Å; V502-V505 PolarHBondContact O-N 3.04Å; E503-V505 VanDerWaalsContact C-N 3.31Å; E503-V505 PolarHBondContact O-N 3.36Å; V505-R508 PolarHBondContact O-N 2.93Å; V505-G509 PolarHBondContact O-N 3.5Å; V505-F510 HydrophobicContact CG1-CB 3.65Å; V505-F510 PolarHBondContact O-N 3.26Å; V505-V512 HydrophobicContact CB-CG2 4.02Å; V505-V512 HydrophobicContact CG1-CG2 3.42Å; V505-V512 VanDerWaalsContact CG1-CG2 3.42Å; V505-V538 HydrophobicContact CG2-CG1 4.05Å; V505-L543 HydrophobicContact CG2-CD2 4.18Å; V505-L545 HydrophobicContact CG2-CD1 4.22Å; V505-L545 HydrophobicContact CG2-CD2 4.14Å
506R93.8Very high95.7Very high96 Ų9632 Ų3236%0.36216%0.162SC..Hα-helixtrans-67.3-40.9173.1-72.7172172.9173.5-2113.2A497 V502 E503 R504 R508 G509 Y514A497-R506 PolarHBondContact O-NH1 3.04Å; A497-R506 PolarHBondContact O-NH2 3.27Å; V502-R506 WeakPolarHBondContact O-CB 3.36Å; V502-R506 VanDerWaalsContact O-CG 3.27Å; V502-R506 WeakPolarHBondContact O-CG 3.2Å; V502-R506 PolarHBondContact O-N 3.38Å; E503-R506 PolarHBondContact O-N 3.11Å; R504-R506 VanDerWaalsContact C-N 3.29Å; R504-R506 PolarHBondContact O-N 3.16Å; R506-R508 PolarHBondContact O-N 3.18Å; R506-G509 VanDerWaalsContact O-CA 3.3Å; R506-G509 WeakPolarHBondContact O-CA 3.27Å; R506-G509 PolarHBondContact O-N 2.98Å; R506-Y514 PolarHBondContact NE-OH 2.77Å; R506-Y514 PolarHBondContact NH2-OH 2.99Å
507K92.2Very high95.7Very high142 Ų14234.1 Ų34.162%0.61717%0.172SC*.Hα-helixtrans-60-33.6174.8-83.8-162.1168.3-179.70112.8E503 R504 G509 V587E503-K507 PolarHBondContact O-N 2.82Å; R504-K507 PolarHBondContact O-N 3.4Å; R504-K507 VanDerWaalsContact O-N 3.14Å; K507-G509 PolarHBondContact O-N 3.27Å; K507-V587 HydrophobicContact CD-CG1 3.96Å; K507-V587 HydrophobicContact CD-CG2 3.84Å; K507-V587 VanDerWaalsContact CE-CG1 3.46Å; K507-V587 HydrophobicContact CG-CG2 4.4Å
508R90.7Very high95.7Very high61 Ų6136.6 Ų36.623%0.2319%0.187CC..THydrogen-bonded Turntrans-78.3-2.3172.7-65.1-73.3178.5-170.1-7.5112.7K479 R504 V505 R506 F510 E551K479-R508 PolarHBondContact NZ-O 3.26Å; R504-R508 HydrophobicContact CG-CG 4.34Å; R504-R508 VanDerWaalsContact O-CG 3.3Å; R504-R508 WeakPolarHBondContact O-CG 3.42Å; R504-R508 PolarHBondContact O-N 3.03Å; V505-R508 PolarHBondContact O-N 2.93Å; R506-R508 PolarHBondContact O-N 3.18Å; R508-F510 VanDerWaalsContact C-N 3.31Å; R508-F510 HydrophobicContact CB-CD2 3.5Å; R508-F510 HydrophobicContact CB-CE2 3.51Å; R508-F510 HydrophobicContact CG-CD2 4.48Å; R508-F510 HydrophobicContact CG-CE2 4.27Å; R508-F510 PolarHBondContact O-N 3.31Å; R508-E551 IonicContact CZ-OE1 2.64Å; R508-E551 IonicContact CZ-OE2 2.97Å; R508-E551 VanDerWaalsContact NH1-CD 3.34Å; R508-E551 IonicContact NH1-OE1 3.24Å; R508-E551 PolarHBondContact NH1-OE1 3.25Å; R508-E551 VanDerWaalsContact NH1-OE1 3.08Å; R508-E551 IonicContact NH1-OE2 3.74Å; R508-E551 PolarHBondContact NH1-OE2 2.86Å; R508-E551 IonicContact NH2-OE1 3.8Å; R508-E551 PolarHBondContact NH2-OE1 3.03Å; R508-E551 IonicContact NH2-OE2 2.61Å; R508-E551 PolarHBondContact NH2-OE2 2.83Å
509G93.8Very high95.7Very high33 Ų3332.9 Ų32.934%0.3417%0.166SC..THydrogen-bonded Turntrans67.626-178.900000113.8K479 V505 R506 K507K479-G509 WeakPolarHBondContact CE-O 3.42Å; K479-G509 PolarHBondContact NZ-O 3.39Å; V505-G509 PolarHBondContact O-N 3.5Å; R506-G509 VanDerWaalsContact O-CA 3.3Å; R506-G509 WeakPolarHBondContact O-CA 3.27Å; R506-G509 PolarHBondContact O-N 2.98Å; K507-G509 PolarHBondContact O-N 3.27Å
510F96.2Very high95.7Very high7 Ų732.1 Ų32.13%0.03116%0.161CC..  trans-84.3147.6170.6-64.6-62.1000110.6K479 Q482 Y486 V505 R508 L545 P546K479-F510 HydrophobicContact CB-CE1 4.18Å; K479-F510 HydrophobicContact CD-CD1 4.02Å; K479-F510 HydrophobicContact CD-CE1 3.72Å; K479-F510 HydrophobicContact CD-CZ 4.48Å; K479-F510 HydrophobicContact CG-CD1 4.4Å; K479-F510 HydrophobicContact CG-CE1 4.24Å; Q482-F510 HydrophobicContact CB-CD1 4.36Å; Q482-F510 HydrophobicContact CB-CE1 4.06Å; Q482-F510 HydrophobicContact CG-CD1 4.12Å; Q482-F510 HydrophobicContact CG-CE1 4.21Å; Y486-F510 HydrophobicContact CD2-CB 4.07Å; Y486-F510 HydrophobicContact CD2-CG 4.35Å; Y486-F510 HydrophobicContact CE2-CB 4.2Å; Y486-F510 HydrophobicContact CE2-CD1 4.23Å; Y486-F510 HydrophobicContact CE2-CD2 4.26Å; Y486-F510 AromaticContact CE2-CG 3.97Å; Y486-F510 HydrophobicContact CE2-CG 3.97Å; V505-F510 HydrophobicContact CG1-CB 3.65Å; V505-F510 PolarHBondContact O-N 3.26Å; R508-F510 VanDerWaalsContact C-N 3.31Å; R508-F510 HydrophobicContact CB-CD2 3.5Å; R508-F510 HydrophobicContact CB-CE2 3.51Å; R508-F510 HydrophobicContact CG-CD2 4.48Å; R508-F510 HydrophobicContact CG-CE2 4.27Å; R508-F510 PolarHBondContact O-N 3.31Å; F510-L545 HydrophobicContact CD2-CD2 4.35Å; F510-P546 HydrophobicContact CE1-CG 4.34Å; F510-P546 HydrophobicContact CE2-CB 4.47Å; F510-P546 HydrophobicContact CE2-CG 4.08Å; F510-P546 HydrophobicContact CZ-CB 3.98Å; F510-P546 HydrophobicContact CZ-CG 3.5Å
511E97.6Very high95.6Very high13 Ų1331.6 Ų31.66%0.06116%0.156CC..  trans-84.9140175.8-171.9173.916900110.1T461 S462 Q463 Y474 R477T461-E511 WeakPolarHBondContact CB-OE1 3.44Å; T461-E511 HydrophobicContact CG2-CG 4.37Å; T461-E511 VanDerWaalsContact CG2-OE1 3.32Å; T461-E511 WeakPolarHBondContact CG2-OE1 3.48Å; T461-E511 PolarHBondContact OG1-OE1 3.01Å; S462-E511 WeakPolarHBondContact OG-CA 3.42Å; Q463-E511 HydrophobicContact CB-CG 4.12Å; Q463-E511 HydrophobicContact CG-CB 4.06Å; Q463-E511 HydrophobicContact CG-CG 3.79Å; Y474-E511 HydrophobicContact CD2-CB 4.14Å; Y474-E511 HydrophobicContact CD2-CG 3.76Å; Y474-E511 HydrophobicContact CE2-CB 3.59Å; Y474-E511 HydrophobicContact CE2-CG 3.6Å; Y474-E511 WeakPolarHBondContact CE2-O 3.5Å; Y474-E511 PolarHBondContact OH-O 3.24Å; R477-E511 IonicContact CZ-OE1 3.08Å; R477-E511 IonicContact CZ-OE2 3.32Å; R477-E511 IonicContact NE-OE1 2.6Å; R477-E511 IonicContact NE-OE2 3.57Å; R477-E511 PolarHBondContact NE-OE2 3.1Å; R477-E511 IonicContact NH2-OE1 2.7Å; R477-E511 PolarHBondContact NH2-OE1 3.4Å; R477-E511 IonicContact NH2-OE2 2.72Å
512V98Very high95.5Very high0 Ų033.8 Ų33.80%016%0.164CC..EExtended strand (participates in β ladder)trans-119.7132176.8-175.20000110.1T461 S462 Y486 I488 V502 V505 Y514T461-V512 CarbonylContact C-O 3.51Å; T461-V512 WeakPolarHBondContact CA-O 3.25Å; T461-V512 WeakPolarHBondContact CB-O 3.45Å; S462-V512 PolarHBondContact N-O 3.39Å; S462-V512 PolarHBondContact OG-N 3.43Å; Y486-V512 WeakPolarHBondContact O-CA 3.49Å; I488-V512 HydrophobicContact CB-CG1 4.37Å; I488-V512 HydrophobicContact CG2-CG1 3.82Å; V502-V512 HydrophobicContact CB-CG2 4.4Å; V502-V512 HydrophobicContact CG1-CB 4.34Å; V502-V512 HydrophobicContact CG1-CG1 3.9Å; V502-V512 HydrophobicContact CG1-CG2 4.15Å; V505-V512 HydrophobicContact CB-CG2 4.02Å; V505-V512 HydrophobicContact CG1-CG2 3.42Å; V505-V512 VanDerWaalsContact CG1-CG2 3.42Å; V512-Y514 HydrophobicContact CB-CE1 4.28Å; V512-Y514 HydrophobicContact CG1-CE1 4.14Å
513V98.6Very high95.4Very high1 Ų133.9 Ų33.91%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-80.8129.9173-176.80000110.5Y459 T461 L471 Y474 I485 Y486 Y487 I488 M515Y459-V513 VanDerWaalsContact CB-CG1 3.49Å; Y459-V513 HydrophobicContact CD1-CG1 4.25Å; Y459-V513 HydrophobicContact CD2-CG1 3.94Å; Y459-V513 HydrophobicContact CG-CG1 3.64Å; T461-V513 HydrophobicContact CG2-CG2 4.25Å; L471-V513 HydrophobicContact CD2-CG2 4.45Å; Y474-V513 HydrophobicContact CD2-CG2 3.73Å; Y474-V513 HydrophobicContact CE2-CG2 3.79Å; Y474-V513 HydrophobicContact CG-CG2 4.42Å; I485-V513 HydrophobicContact CG2-CG2 3.97Å; Y486-V513 PolarHBondContact O-N 2.52Å; Y487-V513 CarbonylContact C-O 3.59Å; Y487-V513 VanDerWaalsContact CA-O 3.32Å; Y487-V513 WeakPolarHBondContact CA-O 3.42Å; I488-V513 PolarHBondContact N-O 3Å; V513-M515 HydrophobicContact CG1-CE 4.19Å; V513-M515 HydrophobicContact CG1-CG 4.44Å
514Y98.3Very high95.4Very high9 Ų932.6 Ų32.64%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-99122.8177.1-59.4-43.4000111.3H460 T461 S462 I488 V496 A497 R506 V512H460-Y514 HydrophobicContact CB-CD2 4.27Å; H460-Y514 PolarHBondContact O-N 2.66Å; T461-Y514 VanDerWaalsContact C-CE2 3.44Å; S462-Y514 WeakPolarHBondContact CA-OH 3.48Å; S462-Y514 WeakPolarHBondContact CB-OH 3.32Å; I488-Y514 HydrophobicContact CG2-CD1 3.45Å; I488-Y514 VanDerWaalsContact CG2-CD1 3.45Å; I488-Y514 HydrophobicContact CG2-CE1 3.78Å; V496-Y514 HydrophobicContact CB-CD1 4.22Å; V496-Y514 HydrophobicContact CG2-CD1 3.46Å; V496-Y514 VanDerWaalsContact CG2-CD1 3.46Å; V496-Y514 HydrophobicContact CG2-CE1 4.18Å; V496-Y514 HydrophobicContact CG2-CG 3.83Å; A497-Y514 HydrophobicContact CB-CE2 4.42Å; R506-Y514 PolarHBondContact NE-OH 2.77Å; R506-Y514 PolarHBondContact NH2-OH 2.99Å; V512-Y514 HydrophobicContact CB-CE1 4.28Å; V512-Y514 HydrophobicContact CG1-CE1 4.14Å
515M98.3Very high95.3Very high3 Ų334.6 Ų34.62%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-118117178.9-69.1179.8-17700109.2Y459 Y487 I488 T489 G490 V513 D520 V524Y459-M515 HydrophobicContact CD1-CG 4.05Å; Y459-M515 HydrophobicContact CE1-CE 4.34Å; Y459-M515 HydrophobicContact CE1-CG 3.9Å; Y459-M515 HydrophobicContact CE2-CE 4.44Å; Y487-M515 HydrophobicContact CD2-CE 4.21Å; Y487-M515 HydrophobicContact CD2-SD 3.79Å; Y487-M515 HydrophobicContact CE2-SD 4.38Å; Y487-M515 HydrophobicContact CG-CE 4.18Å; Y487-M515 HydrophobicContact CG-SD 4.35Å; I488-M515 PolarHBondContact O-N 3.14Å; T489-M515 CarbonylContact C-O 3.42Å; T489-M515 VanDerWaalsContact CA-O 3.29Å; T489-M515 WeakPolarHBondContact CA-O 3.43Å; T489-M515 HydrophobicContact CG2-CB 3.74Å; T489-M515 HydrophobicContact CG2-CG 4.44Å; T489-M515 HydrophobicContact CG2-SD 3.94Å; G490-M515 PolarHBondContact N-O 2.97Å; V513-M515 HydrophobicContact CG1-CE 4.19Å; V513-M515 HydrophobicContact CG1-CG 4.44Å; M515-D520 HydrophobicContact CB-CB 3.73Å; M515-D520 HydrophobicContact CG-CB 4.14Å; M515-D520 HydrophobicContact SD-CB 4.25Å; M515-V524 HydrophobicContact CE-CG2 4.27Å; M515-V524 HydrophobicContact SD-CB 4.24Å; M515-V524 HydrophobicContact SD-CG2 4.39Å
516T96.6Very high95.3Very high48 Ų4837.9 Ų37.929%0.29419%0.186SC..  trans-124.6-4.6-166.458.70000113.3G490 K493 D520G490-T516 WeakPolarHBondContact O-CA 3.38Å; K493-T516 HydrophobicContact CB-CG2 4.25Å; T516-D520 PolarHBondContact N-OD2 2.95Å; T516-D520 VanDerWaalsContact N-OD2 3.16Å
517E96.1Very high95.4Very high47 Ų4733.7 Ų33.722%0.2217%0.171CC..SBendtrans-98143.7176.2-63.2-170.398.400110.7K437 K440 I519 D520K437-E517 VanDerWaalsContact CE-OE1 3.31Å; K437-E517 WeakPolarHBondContact CE-OE1 3.29Å; K440-E517 IonicContact NZ-OE2 2.64Å; K440-E517 PolarHBondContact NZ-OE2 2.93Å; E517-I519 HydrophobicContact CB-CG2 4.07Å; E517-I519 PolarHBondContact O-N 3.43Å; E517-I519 VanDerWaalsContact O-N 3.1Å; E517-D520 PolarHBondContact N-OD2 3.35Å; E517-D520 VanDerWaalsContact O-CB 3.29Å; E517-D520 WeakPolarHBondContact O-CB 3.44Å; E517-D520 PolarHBondContact O-N 3.26Å
518P94.6Very high95.4Very high70 Ų7034.7 Ų34.746%0.45518%0.175SC..Hα-helixtrans-54.9-30.9175.7-28.936.2000114.1D520 E521 Y522 I607P518-D520 VanDerWaalsContact C-N 3.3Å; P518-D520 PolarHBondContact O-N 3.5Å; P518-E521 WeakPolarHBondContact O-CB 3.13Å; P518-Y522 WeakPolarHBondContact O-CD2 3.35Å; P518-I607 HydrophobicContact CB-CD1 3.87Å; P518-I607 HydrophobicContact CB-CG1 4.07Å; P518-I607 HydrophobicContact CB-CG2 4.36Å
519I95.8Very high95.6Very high38 Ų3837.7 Ų37.720%0.19519%0.192CC..Hα-helixtrans-71.6-22.8178.7-164.2168.7000112.9K437 K440 L441 E517 E521 Y522 C523K437-I519 WeakPolarHBondContact O-CD1 3.33Å; K440-I519 HydrophobicContact CB-CD1 3.93Å; K440-I519 HydrophobicContact CB-CG1 4.07Å; K440-I519 HydrophobicContact CB-CG2 3.96Å; K440-I519 HydrophobicContact CD-CG2 3.58Å; K440-I519 HydrophobicContact CG-CG2 4.39Å; L441-I519 HydrophobicContact CB-CD1 4.16Å; E517-I519 HydrophobicContact CB-CG2 4.07Å; E517-I519 PolarHBondContact O-N 3.43Å; E517-I519 VanDerWaalsContact O-N 3.1Å; I519-E521 PolarHBondContact O-N 3.16Å; I519-Y522 WeakPolarHBondContact O-CB 3.2Å; I519-Y522 PolarHBondContact O-N 2.96Å; I519-C523 PolarHBondContact O-N 3.4Å; I519-C523 PolarHBondContact O-SG 3.04Å
520D97Very high95.7Very high2 Ų236.4 Ų36.41%0.01118%0.177CC..Hα-helixtrans-61.5-35.7179-71-39.2000112.2K440 Y459 M515 T516 E517 P518 Y522 C523 V524K440-D520 VanDerWaalsContact CD-OD1 3.27Å; K440-D520 WeakPolarHBondContact CD-OD1 3.45Å; K440-D520 WeakPolarHBondContact CE-OD1 3.27Å; K440-D520 IonicContact NZ-OD1 3.63Å; K440-D520 PolarHBondContact NZ-OD1 3.14Å; K440-D520 IonicContact NZ-OD2 2.68Å; K440-D520 PolarHBondContact NZ-OD2 3.17Å; Y459-D520 WeakPolarHBondContact CE1-OD1 3.41Å; M515-D520 HydrophobicContact CB-CB 3.73Å; M515-D520 HydrophobicContact CG-CB 4.14Å; M515-D520 HydrophobicContact SD-CB 4.25Å; T516-D520 PolarHBondContact N-OD2 2.95Å; T516-D520 VanDerWaalsContact N-OD2 3.16Å; E517-D520 PolarHBondContact N-OD2 3.35Å; E517-D520 VanDerWaalsContact O-CB 3.29Å; E517-D520 WeakPolarHBondContact O-CB 3.44Å; E517-D520 PolarHBondContact O-N 3.26Å; P518-D520 VanDerWaalsContact C-N 3.3Å; P518-D520 PolarHBondContact O-N 3.5Å; D520-Y522 VanDerWaalsContact C-N 3.28Å; D520-Y522 PolarHBondContact O-N 3.38Å; D520-C523 WeakPolarHBondContact O-CB 3.33Å; D520-C523 PolarHBondContact O-N 3.12Å; D520-C523 VanDerWaalsContact O-N 3.15Å; D520-V524 PolarHBondContact O-N 3.12Å
521E94.5Very high95.7Very high6 Ų640.2 Ų40.23%0.02820%0.197CC..Hα-helixtrans-59.7-37.2174.2-95.8-62.3173.200111.9T489 P518 I519 Q525 T601 N603 M604 I607T489-E521 VanDerWaalsContact CB-OE1 3.29Å; T489-E521 WeakPolarHBondContact CB-OE1 3.33Å; T489-E521 HydrophobicContact CG2-CG 4.21Å; T489-E521 PolarHBondContact OG1-OE1 3.02Å; P518-E521 WeakPolarHBondContact O-CB 3.13Å; I519-E521 PolarHBondContact O-N 3.16Å; E521-Q525 WeakPolarHBondContact O-CG 3.48Å; E521-T601 PolarHBondContact OE1-OG1 2.96Å; E521-T601 PolarHBondContact OE2-OG1 3.42Å; E521-N603 HydrophobicContact CG-CB 4.47Å; E521-N603 WeakPolarHBondContact CG-ND2 3.42Å; E521-M604 HydrophobicContact CB-CE 3.45Å; E521-M604 VanDerWaalsContact CB-CE 3.45Å; E521-M604 HydrophobicContact CG-CE 3.98Å; E521-M604 WeakPolarHBondContact OE2-CE 3.49Å; E521-I607 HydrophobicContact CB-CD1 4.01Å; E521-I607 HydrophobicContact CG-CD1 3.86Å
522Y93.6Very high95.5Very high54 Ų5442.3 Ų42.321%0.21222%0.223CC..Hα-helixtrans-77-32173.4-65.3-93.7000112.7H444 P518 I519 D520 I607 M608H444-Y522 PolarHBondContact ND1-O 3.43Å; P518-Y522 WeakPolarHBondContact O-CD2 3.35Å; I519-Y522 WeakPolarHBondContact O-CB 3.2Å; I519-Y522 PolarHBondContact O-N 2.96Å; D520-Y522 VanDerWaalsContact C-N 3.28Å; D520-Y522 PolarHBondContact O-N 3.38Å; Y522-I607 HydrophobicContact CE2-CG2 4.16Å; Y522-M608 HydrophobicContact CE1-CE 3.44Å; Y522-M608 VanDerWaalsContact CE1-CE 3.44Å; Y522-M608 HydrophobicContact CE2-CE 4.45Å; Y522-M608 VanDerWaalsContact CZ-CE 3.41Å; Y522-M608 WeakPolarHBondContact OH-CE 3.37Å
523C95.1Very high95.4Very high1 Ų145.4 Ų45.41%0.00724%0.236CC..Hα-helixtrans-66.1-49.6176.6-640000111.6K440 I443 I519 D520 Q525 Q526 L527K440-C523 VanDerWaalsContact C-SG 3.58Å; K440-C523 WeakPolarHBondContact CA-SG 3.41Å; K440-C523 WeakPolarHBondContact CB-SG 3.34Å; K440-C523 PolarHBondContact O-SG 3.29Å; I443-C523 HydrophobicContact CG2-CB 4.16Å; I519-C523 PolarHBondContact O-N 3.4Å; I519-C523 PolarHBondContact O-SG 3.04Å; D520-C523 WeakPolarHBondContact O-CB 3.33Å; D520-C523 PolarHBondContact O-N 3.12Å; D520-C523 VanDerWaalsContact O-N 3.15Å; C523-Q525 PolarHBondContact O-N 3.28Å; C523-Q526 PolarHBondContact O-N 2.8Å; C523-L527 PolarHBondContact O-N 2.93Å
524V94.4Very high95.3Very high13 Ų1347.9 Ų47.98%0.07925%0.253CS..Hα-helixtrans-72.5-17.7-173.878.60000113Y487 M515 D520 Q526 L535Y487-V524 HydrophobicContact CD1-CG2 4.26Å; Y487-V524 HydrophobicContact CD2-CG2 4.25Å; Y487-V524 HydrophobicContact CE1-CG2 3.63Å; Y487-V524 HydrophobicContact CE2-CB 4.34Å; Y487-V524 HydrophobicContact CE2-CG1 3.96Å; Y487-V524 HydrophobicContact CE2-CG2 3.66Å; Y487-V524 WeakPolarHBondContact OH-CG2 3.46Å; M515-V524 HydrophobicContact CE-CG2 4.27Å; M515-V524 HydrophobicContact SD-CB 4.24Å; M515-V524 HydrophobicContact SD-CG2 4.39Å; D520-V524 PolarHBondContact O-N 3.12Å; V524-Q526 VanDerWaalsContact C-N 3.28Å; V524-Q526 PolarHBondContact O-N 3.3Å; V524-L535 HydrophobicContact CG2-CD2 4.03Å
525Q91.9Very high95.2Very high82 Ų8248.5 Ų48.538%0.38326%0.257SS..Hα-helixtrans-63.5-34.1166.6-77.6178.96.400112.8E521 C523E521-Q525 WeakPolarHBondContact O-CG 3.48Å; C523-Q525 PolarHBondContact O-N 3.28Å
526Q95.1Very high95.2Very high70 Ų7050.3 Ų50.333%0.32727%0.269SS..Hα-helixtrans-94.2-33.5-178.9-60.4-57.9-3700112.3C523 V524 K528C523-Q526 PolarHBondContact O-N 2.8Å; V524-Q526 VanDerWaalsContact C-N 3.28Å; V524-Q526 PolarHBondContact O-N 3.3Å; Q526-K528 PolarHBondContact O-N 2.9Å; Q526-K528 VanDerWaalsContact O-N 3.12Å
527L94.8Very high95.2Very high8 Ų848.2 Ų48.24%0.04226%0.256CS..  trans-83.879178.7-171.664.8000111.1I443 L457 L471 C523 L535I443-L527 HydrophobicContact CG2-CB 4.44Å; L457-L527 HydrophobicContact CD1-CD2 3.93Å; L471-L527 HydrophobicContact CD1-CD2 3.84Å; C523-L527 PolarHBondContact O-N 2.93Å; L527-L535 HydrophobicContact CD2-CD2 3.91Å; L527-L535 HydrophobicContact CG-CD1 4.34Å; L527-L535 HydrophobicContact CG-CD2 4.03Å
528K91.9Very high95.2Very high163 Ų16346 Ų4671%0.70925%0.245SC*.  trans-77.2-30.3-179.1-63.4-175.9179.2-179.10113.7Q526 L535Q526-K528 PolarHBondContact O-N 2.9Å; Q526-K528 VanDerWaalsContact O-N 3.12Å; K528-L535 PolarHBondContact O-N 2.69Å; K528-L535 VanDerWaalsContact O-N 3.14Å
529E95.2Very high95.3Very high124 Ų12443.4 Ų43.458%0.57923%0.228SC*.EExtended strand (participates in β ladder)trans-144.9145.4-174.3-167.3-175131.600110.1G532 K533E529-G532 WeakPolarHBondContact OE1-CA 3.28Å; E529-G532 PolarHBondContact OE1-N 2.83Å; E529-K533 VanDerWaalsContact CA-O 3.32Å; E529-K533 WeakPolarHBondContact CA-O 3.28Å; E529-K533 WeakPolarHBondContact CG-O 3.33Å
530F97.3Very high95.2Very high6 Ų644.3 Ų44.33%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-140.1128.3172.9-178.2-89000108.6S454 E455 L471 V475 I485 G532 K533 L535S454-F530 WeakPolarHBondContact OG-CD2 3.47Å; S454-F530 WeakPolarHBondContact OG-CE2 3.19Å; E455-F530 HydrophobicContact CG-CE2 4.24Å; E455-F530 HydrophobicContact CG-CZ 4.43Å; L471-F530 HydrophobicContact CB-CD1 3.69Å; L471-F530 HydrophobicContact CB-CD2 4.17Å; L471-F530 HydrophobicContact CB-CE1 3.51Å; L471-F530 HydrophobicContact CB-CE2 4Å; L471-F530 HydrophobicContact CB-CG 4.03Å; L471-F530 HydrophobicContact CB-CZ 3.68Å; L471-F530 HydrophobicContact CD1-CB 4.48Å; L471-F530 HydrophobicContact CD1-CD2 3.87Å; L471-F530 HydrophobicContact CD1-CE2 4.25Å; L471-F530 HydrophobicContact CD1-CG 4.02Å; V475-F530 HydrophobicContact CG2-CD1 3.99Å; V475-F530 HydrophobicContact CG2-CE1 4.21Å; I485-F530 HydrophobicContact CD1-CB 4.01Å; I485-F530 HydrophobicContact CD1-CD1 4.21Å; F530-G532 VanDerWaalsContact C-N 3.28Å; F530-G532 PolarHBondContact O-N 2.72Å; F530-K533 PolarHBondContact N-O 2.97Å; F530-K533 WeakPolarHBondContact O-CB 3.43Å; F530-K533 PolarHBondContact O-N 2.76Å; F530-L535 HydrophobicContact CB-CD1 4.07Å
531D94.9Very high95Very high86 Ų8646.7 Ų46.746%0.4624%0.242SC..THydrogen-bonded Turntrans46.942.6-177.6-72.7-13000115.2K533D531-K533 PolarHBondContact O-N 3.37Å
532G93.9Very high94.8Very high58 Ų5849.4 Ų49.460%0.59827%0.271SS*.THydrogen-bonded Turntrans80.4-0.2-179.600000114.6E529 F530E529-G532 WeakPolarHBondContact OE1-CA 3.28Å; E529-G532 PolarHBondContact OE1-N 2.83Å; F530-G532 VanDerWaalsContact C-N 3.28Å; F530-G532 PolarHBondContact O-N 2.72Å
533K96.1Very high94.7Very high65 Ų6547.4 Ų47.428%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-109.9128.6-176.3-54.2-62.5-174.8168.80110.4M478 K483 I485 E529 F530 D531M478-K533 HydrophobicContact CE-CB 4.45Å; M478-K533 HydrophobicContact CE-CD 3.92Å; M478-K533 HydrophobicContact CE-CG 4.03Å; M478-K533 HydrophobicContact SD-CD 4.37Å; M478-K533 HydrophobicContact SD-CG 3.98Å; K483-K533 WeakPolarHBondContact O-CD 3.42Å; I485-K533 HydrophobicContact CD1-CB 4.29Å; I485-K533 HydrophobicContact CG1-CB 4.1Å; E529-K533 VanDerWaalsContact CA-O 3.32Å; E529-K533 WeakPolarHBondContact CA-O 3.28Å; E529-K533 WeakPolarHBondContact CG-O 3.33Å; F530-K533 PolarHBondContact N-O 2.97Å; F530-K533 WeakPolarHBondContact O-CB 3.43Å; F530-K533 PolarHBondContact O-N 2.76Å; D531-K533 PolarHBondContact O-N 3.37Å
534S96.3Very high94.3Very high52 Ų5255.3 Ų55.336%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-72.2147.3175.258.20000111.5S484 I485S484-S534 CarbonylContact C-O 3.55Å; S484-S534 VanDerWaalsContact CA-O 3.24Å; S484-S534 WeakPolarHBondContact CA-O 3.48Å; S484-S534 WeakPolarHBondContact CB-O 3.42Å; S484-S534 PolarHBondContact OG-OG 3Å; I485-S534 PolarHBondContact N-O 3.22Å
535L96.6Very high94Very high22 Ų2255.1 Ų55.112%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-91.9124.2172.9-74.976.7000109.4I485 Y487 V524 L527 K528 F530I485-L535 HydrophobicContact CB-CG 4.26Å; I485-L535 HydrophobicContact CD1-CD1 4.29Å; I485-L535 HydrophobicContact CD1-CG 4.47Å; Y487-L535 HydrophobicContact CD1-CB 4.02Å; Y487-L535 HydrophobicContact CE1-CB 3.8Å; V524-L535 HydrophobicContact CG2-CD2 4.03Å; L527-L535 HydrophobicContact CD2-CD2 3.91Å; L527-L535 HydrophobicContact CG-CD1 4.34Å; L527-L535 HydrophobicContact CG-CD2 4.03Å; K528-L535 PolarHBondContact O-N 2.69Å; K528-L535 VanDerWaalsContact O-N 3.14Å; F530-L535 HydrophobicContact CB-CD1 4.07Å
536V96.5Very high93.5Very high42 Ų4253.4 Ų53.426%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-121119.7-177.5177.40000110I485 Y486 Y487 L543I485-V536 PolarHBondContact O-N 3.41Å; Y486-V536 WeakPolarHBondContact CA-O 3.27Å; Y486-V536 HydrophobicContact CD1-CB 4.37Å; Y486-V536 HydrophobicContact CD1-CG1 4.5Å; Y487-V536 WeakPolarHBondContact CD1-O 3.31Å; Y487-V536 PolarHBondContact N-O 3.01Å; Y487-V536 VanDerWaalsContact N-O 3.07Å; V536-L543 HydrophobicContact CG1-CD1 3.99Å
537S96.9Very high92.6Very high4 Ų452.7 Ų52.73%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-73.9130.4172.7176.40000110.1Y487 T539 K540Y487-S537 VanDerWaalsContact CE1-N 3.27Å; Y487-S537 WeakPolarHBondContact O-CA 3.11Å; S537-T539 PolarHBondContact O-N 3.38Å; S537-T539 PolarHBondContact OG-N 3.28Å; S537-T539 VanDerWaalsContact OG-N 3.09Å; S537-T539 PolarHBondContact OG-OG1 3.39Å; S537-K540 PolarHBondContact O-N 3.37Å
538V96.7Very high91.9Very high0 Ų057.1 Ų57.10%032%0.316CS..THydrogen-bonded Turntrans-72.5-7173.5-58.80000113.2Y486 Y487 I488 F501 V502 V505 L543 R585Y486-V538 HydrophobicContact CD1-CG1 4.4Å; Y487-V538 WeakPolarHBondContact O-CG2 3.17Å; Y487-V538 PolarHBondContact O-N 3.18Å; I488-V538 HydrophobicContact CB-CG2 3.66Å; I488-V538 HydrophobicContact CD1-CG2 4.02Å; I488-V538 HydrophobicContact CG1-CG2 4.08Å; F501-V538 HydrophobicContact CB-CB 4.27Å; F501-V538 HydrophobicContact CB-CG2 3.74Å; F501-V538 WeakPolarHBondContact CD1-O 3.37Å; V502-V538 HydrophobicContact CG1-CG2 4.1Å; V505-V538 HydrophobicContact CG2-CG1 4.05Å; V538-L543 HydrophobicContact CB-CD2 4.08Å; V538-L543 HydrophobicContact CG1-CD1 4.24Å; V538-L543 HydrophobicContact CG1-CD2 4.18Å; V538-R585 PolarHBondContact O-NH1 2.82Å
539T96.1Very high91.5Very high16 Ų1655.7 Ų55.710%0.09831%0.312CS..THydrogen-bonded Turntrans-90.6-13178.972.90000113.3I488 F501 S537 T595I488-T539 HydrophobicContact CD1-CG2 4.18Å; I488-T539 HydrophobicContact CG1-CG2 3.86Å; F501-T539 HydrophobicContact CD2-CG2 3.91Å; F501-T539 HydrophobicContact CE2-CG2 4.14Å; F501-T539 HydrophobicContact CG-CG2 4.33Å; S537-T539 PolarHBondContact O-N 3.38Å; S537-T539 PolarHBondContact OG-N 3.28Å; S537-T539 VanDerWaalsContact OG-N 3.09Å; S537-T539 PolarHBondContact OG-OG1 3.39Å; T539-T595 PolarHBondContact O-N 3.27Å; T539-T595 PolarHBondContact O-OG1 2.97Å
540K94.3Very high91.1Very high56 Ų5655.2 Ų55.224%0.24331%0.31CS..BIsolated β-bridgetrans-87.2153.3-180-71.1-175.3171.5-164.40111.6S537 R585 T595 T597S537-K540 PolarHBondContact O-N 3.37Å; K540-R585 VanDerWaalsContact O-CZ 3.29Å; K540-R585 PolarHBondContact O-NH1 2.89Å; K540-R585 PolarHBondContact O-NH2 3.17Å; K540-T595 CarbonylContact C-O 3.48Å; K540-T595 WeakPolarHBondContact CA-O 3.27Å; K540-T597 PolarHBondContact NZ-O 2.93Å
541E93.6Very high90.5Very high53 Ų5357.9 Ų57.925%0.24832%0.322CS..SBendtrans-58.8157.917172.6179.4148.900111.7V594 T595 S596 T597 H627E541-V594 HydrophobicContact CB-CG2 4.02Å; E541-T595 PolarHBondContact N-O 3.01Å; E541-S596 VanDerWaalsContact OE1-CA 3.29Å; E541-S596 WeakPolarHBondContact OE1-CA 3.38Å; E541-S596 WeakPolarHBondContact OE1-CB 3.44Å; E541-S596 PolarHBondContact OE1-OG 2.88Å; E541-T597 HydrophobicContact CG-CG2 3.84Å; E541-T597 PolarHBondContact OE1-N 3.3Å; E541-H627 IonicContact OE1-NE2 3.91Å; E541-H627 IonicContact OE2-CD2 3.37Å; E541-H627 IonicContact OE2-NE2 2.63Å; E541-H627 PolarHBondContact OE2-NE2 3.42Å
542G88.8Confident90.1Very high62 Ų6258.2 Ų58.264%0.63932%0.319SS*.  trans7231.5175.900000114.3E544G542-E544 PolarHBondContact O-N 2.67Å
543L92.3Very high89.9Confident13 Ų1361.9 Ų61.97%0.06832%0.319CS..  trans-68.599.5173.3178.865000109.7Y486 V505 V536 V538 L545 R585Y486-L543 HydrophobicContact CD1-CD1 3.89Å; Y486-L543 HydrophobicContact CE1-CD1 3.76Å; V505-L543 HydrophobicContact CG2-CD2 4.18Å; V536-L543 HydrophobicContact CG1-CD1 3.99Å; V538-L543 HydrophobicContact CB-CD2 4.08Å; V538-L543 HydrophobicContact CG1-CD1 4.24Å; V538-L543 HydrophobicContact CG1-CD2 4.18Å; L543-L545 HydrophobicContact CD1-CD2 4.32Å; L543-L545 HydrophobicContact CD2-CD2 4.35Å; L543-L545 HydrophobicContact CD2-CG 4.42Å; L543-L545 HydrophobicContact CG-CD2 4.16Å; L543-L545 HydrophobicContact CG-CG 4.22Å; L543-L545 PolarHBondContact O-N 2.99Å; L543-R585 VanDerWaalsContact CB-CZ 3.48Å; L543-R585 HydrophobicContact CD2-CB 4.18Å
544E87.1Confident89.6Confident167 Ų16764 Ų6478%0.7833%0.328SS*.  trans-81.7111173.8-67.5-175.4178.100110.2Y486 G542Y486-E544 PolarHBondContact OH-O 3.37Å; Y486-E544 VanDerWaalsContact OH-O 3.07Å; G542-E544 PolarHBondContact O-N 2.67Å
545L87.6Confident89.3Confident9 Ų962.8 Ų62.85%0.04732%0.317CS..  trans-98.6143.7167.5-60.7178.3000108.5Y486 R504 V505 F510 L543 E547Y486-L545 HydrophobicContact CE1-CD2 4.04Å; Y486-L545 HydrophobicContact CE2-CD2 4.44Å; R504-L545 HydrophobicContact CB-CD1 4.13Å; R504-L545 HydrophobicContact CG-CD1 3.71Å; V505-L545 HydrophobicContact CG2-CD1 4.22Å; V505-L545 HydrophobicContact CG2-CD2 4.14Å; F510-L545 HydrophobicContact CD2-CD2 4.35Å; L543-L545 HydrophobicContact CD1-CD2 4.32Å; L543-L545 HydrophobicContact CD2-CD2 4.35Å; L543-L545 HydrophobicContact CD2-CG 4.42Å; L543-L545 HydrophobicContact CG-CD2 4.16Å; L543-L545 HydrophobicContact CG-CG 4.22Å; L543-L545 PolarHBondContact O-N 2.99Å; L545-E547 WeakPolarHBondContact O-CG 3.5Å; L545-E547 PolarHBondContact O-N 3.32Å
546P81.6Confident89Confident46 Ų4667 Ų6730%0.29934%0.336SS..  trans-54.1115.1169.2-31.538.1000111.2F510F510-P546 HydrophobicContact CE1-CG 4.34Å; F510-P546 HydrophobicContact CE2-CB 4.47Å; F510-P546 HydrophobicContact CE2-CG 4.08Å; F510-P546 HydrophobicContact CZ-CB 3.98Å; F510-P546 HydrophobicContact CZ-CG 3.5Å
547E76.3Confident88.8Confident55 Ų5570.2 Ų70.226%0.25735%0.348SS..  trans-119147-175.1-77.9168.4-150.100110.6L545 K552 N584L545-E547 WeakPolarHBondContact O-CG 3.5Å; L545-E547 PolarHBondContact O-N 3.32Å; E547-K552 HydrophobicContact CB-CG 4.07Å; E547-K552 WeakPolarHBondContact OE2-CG 3.3Å; E547-N584 PolarHBondContact OE1-ND2 3.31Å
548D80.8Confident88.6Confident101 Ų10171.2 Ų71.254%0.5436%0.355SS..  trans-75.1149.4166.8-162.8-19.3000109.7E550 E551 K552D548-E550 PolarHBondContact O-N 2.87Å; D548-E551 HydrophobicContact CB-CG 4.31Å; D548-E551 PolarHBondContact N-OE2 2.77Å; D548-E551 PolarHBondContact O-N 3.32Å; D548-E551 VanDerWaalsContact O-N 3.07Å; D548-K552 PolarHBondContact O-N 3.2Å; D548-K552 VanDerWaalsContact O-N 3.08Å
549E83.6Confident88.4Confident132 Ų13275.2 Ų75.262%0.61737%0.373SS*.Hα-helixtrans-63.1-29.4-179.7-150.669.9178.400111.4K552 K553E549-K552 IonicContact OE2-NZ 3.06Å; E549-K552 PolarHBondContact OE2-NZ 2.91Å; E549-K553 PolarHBondContact O-N 3.47Å; E549-K553 VanDerWaalsContact O-N 3.12Å
550E86.6Confident88.3Confident115 Ų11577.6 Ų77.654%0.53739%0.394SS..Hα-helixtrans-67.9-37.9173.8-156.9-163.2143.200112.4D548 K553 K554D548-E550 PolarHBondContact O-N 2.87Å; E550-K553 PolarHBondContact O-N 3.42Å; E550-K554 WeakPolarHBondContact O-CG 3.26Å; E550-K554 PolarHBondContact O-N 2.92Å; E550-K554 VanDerWaalsContact OE1-CE 3.26Å; E550-K554 WeakPolarHBondContact OE1-CE 3.23Å; E550-K554 IonicContact OE1-NZ 3.51Å; E550-K554 PolarHBondContact OE1-NZ 2.89Å
551E84.1Confident88.2Confident62 Ų6279.8 Ų79.829%0.2940%0.404SS..Hα-helixtrans-72-39.2178.2-67.7178.413800111.5R508 D548 K553 K554 M555R508-E551 IonicContact CZ-OE1 2.64Å; R508-E551 IonicContact CZ-OE2 2.97Å; R508-E551 VanDerWaalsContact NH1-CD 3.34Å; R508-E551 IonicContact NH1-OE1 3.24Å; R508-E551 PolarHBondContact NH1-OE1 3.25Å; R508-E551 VanDerWaalsContact NH1-OE1 3.08Å; R508-E551 IonicContact NH1-OE2 3.74Å; R508-E551 PolarHBondContact NH1-OE2 2.86Å; R508-E551 IonicContact NH2-OE1 3.8Å; R508-E551 PolarHBondContact NH2-OE1 3.03Å; R508-E551 IonicContact NH2-OE2 2.61Å; R508-E551 PolarHBondContact NH2-OE2 2.83Å; D548-E551 HydrophobicContact CB-CG 4.31Å; D548-E551 PolarHBondContact N-OE2 2.77Å; D548-E551 PolarHBondContact O-N 3.32Å; D548-E551 VanDerWaalsContact O-N 3.07Å; E551-K553 VanDerWaalsContact C-N 3.27Å; E551-K553 PolarHBondContact O-N 3.43Å; E551-K554 PolarHBondContact O-N 2.98Å; E551-M555 WeakPolarHBondContact O-CB 3.36Å; E551-M555 WeakPolarHBondContact O-CG 3.31Å; E551-M555 PolarHBondContact O-N 3.45Å
552K85.6Confident88.3Confident92 Ų9277.4 Ų77.440%0.439%0.393SS..Hα-helixtrans-56.7-44.6171.3-76.5179.6-175.4167.90111.3E547 D548 E549 M555 E556E547-K552 HydrophobicContact CB-CG 4.07Å; E547-K552 WeakPolarHBondContact OE2-CG 3.3Å; D548-K552 PolarHBondContact O-N 3.2Å; D548-K552 VanDerWaalsContact O-N 3.08Å; E549-K552 IonicContact OE2-NZ 3.06Å; E549-K552 PolarHBondContact OE2-NZ 2.91Å; K552-M555 WeakPolarHBondContact O-CB 3.43Å; K552-M555 PolarHBondContact O-N 3.16Å; K552-E556 PolarHBondContact O-N 3.43Å
553K90.6Very high88.5Confident136 Ų13679.1 Ų79.159%0.59138%0.384SS*.Hα-helixtrans-62.5-45.3177.3-168.6-178.6174.5-172.30112E549 E550 E551 M555 E556 E557E549-K553 PolarHBondContact O-N 3.47Å; E549-K553 VanDerWaalsContact O-N 3.12Å; E550-K553 PolarHBondContact O-N 3.42Å; E551-K553 VanDerWaalsContact C-N 3.27Å; E551-K553 PolarHBondContact O-N 3.43Å; K553-M555 VanDerWaalsContact C-N 3.26Å; K553-M555 PolarHBondContact O-N 3.35Å; K553-E556 PolarHBondContact O-N 2.57Å; K553-E557 WeakPolarHBondContact CE-OE1 3.49Å; K553-E557 WeakPolarHBondContact O-CG 3.34Å; K553-E557 PolarHBondContact O-N 3.13Å
554K89.9Confident88.5Confident108 Ų10881.1 Ų81.147%0.4740%0.397SS..Hα-helixtrans-60.8-34.7174.3-74.1175.1-174.71610112.5E550 E551 S558E550-K554 WeakPolarHBondContact O-CG 3.26Å; E550-K554 PolarHBondContact O-N 2.92Å; E550-K554 VanDerWaalsContact OE1-CE 3.26Å; E550-K554 WeakPolarHBondContact OE1-CE 3.23Å; E550-K554 IonicContact OE1-NZ 3.51Å; E550-K554 PolarHBondContact OE1-NZ 2.89Å; E551-K554 PolarHBondContact O-N 2.98Å; K554-S558 WeakPolarHBondContact O-CB 3.45Å; K554-S558 PolarHBondContact O-N 3.29Å; K554-S558 PolarHBondContact O-OG 3.07Å
555M88.9Confident88.8Confident27 Ų2773.2 Ų73.213%0.13336%0.36CS..Hα-helixtrans-69.3-39.8175.4-77.2-59.2-62.800112.4E551 K552 K553 S558 K559 I582 N584 P632E551-M555 WeakPolarHBondContact O-CB 3.36Å; E551-M555 WeakPolarHBondContact O-CG 3.31Å; E551-M555 PolarHBondContact O-N 3.45Å; K552-M555 WeakPolarHBondContact O-CB 3.43Å; K552-M555 PolarHBondContact O-N 3.16Å; K553-M555 VanDerWaalsContact C-N 3.26Å; K553-M555 PolarHBondContact O-N 3.35Å; M555-S558 PolarHBondContact O-N 3.09Å; M555-K559 VanDerWaalsContact O-CG 3.31Å; M555-K559 WeakPolarHBondContact O-CG 3.32Å; M555-K559 PolarHBondContact O-N 3.08Å; M555-I582 HydrophobicContact CE-CB 4.5Å; M555-I582 HydrophobicContact CE-CG2 3.88Å; M555-N584 HydrophobicContact CE-CB 3.91Å; M555-N584 HydrophobicContact CG-CB 4.25Å; M555-N584 HydrophobicContact SD-CB 3.77Å; M555-P632 HydrophobicContact SD-CG 4.45Å
556E90.3Very high89.2Confident110 Ų11073.6 Ų73.651%0.51436%0.363SS..Hα-helixtrans-65.4-40.7173.2-69.1-55.2133.300112.1K552 K553 S558 K559 A560K552-E556 PolarHBondContact O-N 3.43Å; K553-E556 PolarHBondContact O-N 2.57Å; E556-S558 VanDerWaalsContact C-N 3.32Å; E556-S558 PolarHBondContact O-N 3.21Å; E556-K559 WeakPolarHBondContact O-CB 3.34Å; E556-K559 PolarHBondContact O-N 2.66Å; E556-K559 IonicContact OE1-NZ 2.82Å; E556-K559 PolarHBondContact OE1-NZ 3.23Å; E556-A560 PolarHBondContact O-N 3.45Å; E556-A560 VanDerWaalsContact O-N 3.09Å
557E93.1Very high89.8Confident111 Ų11176.9 Ų76.952%0.51937%0.373SS..Hα-helixtrans-61.6-41.4172.6-71172.3-171.200111.5K553 A560 K561K553-E557 WeakPolarHBondContact CE-OE1 3.49Å; K553-E557 WeakPolarHBondContact O-CG 3.34Å; K553-E557 PolarHBondContact O-N 3.13Å; E557-A560 PolarHBondContact O-N 3.06Å; E557-K561 WeakPolarHBondContact O-CB 3.46Å; E557-K561 PolarHBondContact O-N 3.18Å
558S93Very high90.7Very high24 Ų2474.8 Ų74.817%0.16836%0.363CS..Hα-helixtrans-65.4-40.9175.2-61.60000111.7K554 M555 E556 A560 K561 F562 I582K554-S558 WeakPolarHBondContact O-CB 3.45Å; K554-S558 PolarHBondContact O-N 3.29Å; K554-S558 PolarHBondContact O-OG 3.07Å; M555-S558 PolarHBondContact O-N 3.09Å; E556-S558 VanDerWaalsContact C-N 3.32Å; E556-S558 PolarHBondContact O-N 3.21Å; S558-A560 VanDerWaalsContact C-N 3.3Å; S558-A560 PolarHBondContact O-N 3.23Å; S558-K561 WeakPolarHBondContact O-CB 3.46Å; S558-K561 PolarHBondContact O-N 3.16Å; S558-K561 VanDerWaalsContact O-N 3.09Å; S558-F562 VanDerWaalsContact O-CD2 3.3Å; S558-F562 WeakPolarHBondContact O-CD2 3.27Å; S558-F562 PolarHBondContact O-N 3.32Å; S558-I582 VanDerWaalsContact C-CD1 3.43Å; S558-I582 WeakPolarHBondContact O-CD1 3.4Å
559K92.8Very high91.4Very high84 Ų8470.2 Ų70.237%0.36534%0.338SS..Hα-helixtrans-56.4-45.2174.9-77.2173.3-172.5171.50111.4M555 E556 E563 I582M555-K559 VanDerWaalsContact O-CG 3.31Å; M555-K559 WeakPolarHBondContact O-CG 3.32Å; M555-K559 PolarHBondContact O-N 3.08Å; E556-K559 WeakPolarHBondContact O-CB 3.34Å; E556-K559 PolarHBondContact O-N 2.66Å; E556-K559 IonicContact OE1-NZ 2.82Å; E556-K559 PolarHBondContact OE1-NZ 3.23Å; K559-E563 WeakPolarHBondContact O-CB 3.5Å; K559-E563 PolarHBondContact O-N 3Å; K559-I582 HydrophobicContact CG-CB 4.49Å; K559-I582 HydrophobicContact CG-CD1 4.34Å
560A92.7Very high92Very high67 Ų6766.2 Ų66.255%0.55432%0.319SS*.Hα-helixtrans-63.6-44.3174.300000111.7E556 E557 S558 F562 E563E556-A560 PolarHBondContact O-N 3.45Å; E556-A560 VanDerWaalsContact O-N 3.09Å; E557-A560 PolarHBondContact O-N 3.06Å; S558-A560 VanDerWaalsContact C-N 3.3Å; S558-A560 PolarHBondContact O-N 3.23Å; A560-F562 VanDerWaalsContact C-N 3.34Å; A560-F562 PolarHBondContact O-N 2.88Å; A560-E563 PolarHBondContact O-N 3.43Å
561K93.9Very high92.3Very high102 Ų10267.4 Ų67.444%0.44333%0.325SS..Hα-helixtrans-59.2-39.9-179.4-171.3-172.7-177.4-160.60113.2E557 S558 E638E557-K561 WeakPolarHBondContact O-CB 3.46Å; E557-K561 PolarHBondContact O-N 3.18Å; S558-K561 WeakPolarHBondContact O-CB 3.46Å; S558-K561 PolarHBondContact O-N 3.16Å; S558-K561 VanDerWaalsContact O-N 3.09Å; K561-E638 WeakPolarHBondContact CE-OE2 3.48Å; K561-E638 IonicContact NZ-OE1 3.14Å; K561-E638 IonicContact NZ-OE2 2.81Å; K561-E638 PolarHBondContact NZ-OE2 2.91Å
562F95Very high92.8Very high3 Ų366.4 Ų66.41%0.01332%0.321CS..THydrogen-bonded Turntrans-105.813.2-177.9-57.7-91.5000113.8S558 A560 T564 L565 C566 I582 P632 V637 E638 R641S558-F562 VanDerWaalsContact O-CD2 3.3Å; S558-F562 WeakPolarHBondContact O-CD2 3.27Å; S558-F562 PolarHBondContact O-N 3.32Å; A560-F562 VanDerWaalsContact C-N 3.34Å; A560-F562 PolarHBondContact O-N 2.88Å; F562-T564 VanDerWaalsContact C-N 3.34Å; F562-T564 PolarHBondContact O-N 3.25Å; F562-L565 HydrophobicContact CB-CB 4.47Å; F562-L565 HydrophobicContact CD1-CD2 3.91Å; F562-L565 PolarHBondContact O-N 2.94Å; F562-C566 PolarHBondContact O-N 3.46Å; F562-C566 PolarHBondContact O-SG 3.41Å; F562-I582 HydrophobicContact CB-CD1 3.66Å; F562-I582 HydrophobicContact CB-CG1 4.35Å; F562-I582 HydrophobicContact CD2-CD1 3.75Å; F562-I582 HydrophobicContact CG-CD1 4.09Å; F562-P632 HydrophobicContact CD2-CB 3.97Å; F562-P632 HydrophobicContact CE2-CB 3.51Å; F562-P632 HydrophobicContact CZ-CB 4.22Å; F562-P632 WeakPolarHBondContact CZ-O 3.39Å; F562-V637 HydrophobicContact CD1-CG1 3.99Å; F562-V637 HydrophobicContact CE1-CG1 3.71Å; F562-V637 HydrophobicContact CZ-CG1 4.33Å; F562-E638 WeakPolarHBondContact CZ-OE2 3.22Å; F562-R641 HydrophobicContact CD1-CB 3.73Å; F562-R641 HydrophobicContact CD1-CG 3.73Å; F562-R641 HydrophobicContact CE1-CB 3.69Å; F562-R641 HydrophobicContact CE1-CG 3.98Å
563E93.4Very high93.1Very high97 Ų9762.1 Ų62.145%0.45330%0.302SS..Hα-helixtrans-57.9-46.3-179.3-169.8-172.7162.600111.6K559 A560 L565 C566 K567K559-E563 WeakPolarHBondContact O-CB 3.5Å; K559-E563 PolarHBondContact O-N 3Å; A560-E563 PolarHBondContact O-N 3.43Å; E563-L565 VanDerWaalsContact C-N 3.33Å; E563-L565 PolarHBondContact O-N 3.28Å; E563-C566 PolarHBondContact O-N 3.44Å; E563-K567 WeakPolarHBondContact O-CG 3.24Å; E563-K567 PolarHBondContact O-N 2.84Å; E563-K567 VanDerWaalsContact OE1-CE 3.25Å; E563-K567 WeakPolarHBondContact OE1-CE 3.35Å; E563-K567 IonicContact OE1-NZ 3.74Å; E563-K567 PolarHBondContact OE1-NZ 2.82Å
564T92.2Very high93.1Very high56 Ų5660.2 Ų60.234%0.34430%0.298SS..Hα-helixtrans-61.7-40.6178-55.70000111.9F562 K567 L568F562-T564 VanDerWaalsContact C-N 3.34Å; F562-T564 PolarHBondContact O-N 3.25Å; T564-K567 PolarHBondContact O-N 3.06Å; T564-L568 PolarHBondContact O-N 2.9Å
565L93.7Very high93Very high1 Ų164.6 Ų64.61%0.00532%0.318CS..Hα-helixtrans-65.7-44.2177.2177.463.8000111F562 E563 K567 L568 M569 V637 L640 R641 A644F562-L565 HydrophobicContact CB-CB 4.47Å; F562-L565 HydrophobicContact CD1-CD2 3.91Å; F562-L565 PolarHBondContact O-N 2.94Å; E563-L565 VanDerWaalsContact C-N 3.33Å; E563-L565 PolarHBondContact O-N 3.28Å; L565-K567 VanDerWaalsContact C-N 3.32Å; L565-K567 PolarHBondContact O-N 2.87Å; L565-L568 PolarHBondContact O-N 3.37Å; L565-M569 HydrophobicContact CD1-CG 4.1Å; L565-M569 HydrophobicContact CD1-SD 4.08Å; L565-M569 HydrophobicContact CD2-SD 4.38Å; L565-M569 HydrophobicContact CG-CG 4.36Å; L565-M569 HydrophobicContact CG-SD 3.91Å; L565-M569 WeakPolarHBondContact O-CB 3.38Å; L565-M569 WeakPolarHBondContact O-CG 3.4Å; L565-M569 PolarHBondContact O-N 3.14Å; L565-V637 HydrophobicContact CD2-CG1 4.18Å; L565-L640 HydrophobicContact CD1-CB 3.98Å; L565-L640 HydrophobicContact CD2-CB 4.05Å; L565-R641 HydrophobicContact CD2-CB 4.19Å; L565-A644 HydrophobicContact CD1-CB 4.12Å
566C95.3Very high93Very high16 Ų1666.7 Ų66.711%0.10833%0.326CS..Hα-helixtrans-60.9-41.3178.6-65.90000111.6F562 E563 M569 K570 V580F562-C566 PolarHBondContact O-N 3.46Å; F562-C566 PolarHBondContact O-SG 3.41Å; E563-C566 PolarHBondContact O-N 3.44Å; C566-M569 PolarHBondContact O-N 3.46Å; C566-K570 WeakPolarHBondContact O-CB 3.5Å; C566-K570 PolarHBondContact O-N 2.84Å; C566-V580 HydrophobicContact CB-CB 4.4Å; C566-V580 HydrophobicContact CB-CG1 4.12Å
567K94.6Very high93.2Very high116 Ų11661.7 Ų61.750%0.50430%0.303SS..Hα-helixtrans-62.4-47.5174.9-72177-174.5168.10111.6E563 T564 L565 M569 K570 E571E563-K567 WeakPolarHBondContact O-CG 3.24Å; E563-K567 PolarHBondContact O-N 2.84Å; E563-K567 VanDerWaalsContact OE1-CE 3.25Å; E563-K567 WeakPolarHBondContact OE1-CE 3.35Å; E563-K567 IonicContact OE1-NZ 3.74Å; E563-K567 PolarHBondContact OE1-NZ 2.82Å; T564-K567 PolarHBondContact O-N 3.06Å; L565-K567 VanDerWaalsContact C-N 3.32Å; L565-K567 PolarHBondContact O-N 2.87Å; K567-M569 PolarHBondContact O-N 2.91Å; K567-K570 PolarHBondContact O-N 2.63Å; K567-E571 WeakPolarHBondContact O-CG 3.46Å; K567-E571 PolarHBondContact O-N 3.1Å
568L93.8Very high93.1Very high10 Ų1060.3 Ų60.35%0.05230%0.297CS..Hα-helixtrans-59.6-45.7177.1177.962000111.8T564 L565 K570 E571 I572 A644 K648T564-L568 PolarHBondContact O-N 2.9Å; L565-L568 PolarHBondContact O-N 3.37Å; L568-K570 VanDerWaalsContact C-N 3.31Å; L568-K570 PolarHBondContact O-N 3.47Å; L568-E571 PolarHBondContact O-N 2.92Å; L568-I572 HydrophobicContact CD1-CD1 4.12Å; L568-I572 HydrophobicContact CD1-CG1 4.43Å; L568-I572 HydrophobicContact CG-CD1 3.88Å; L568-I572 WeakPolarHBondContact O-CD1 3.42Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.31Å; L568-I572 PolarHBondContact O-N 2.98Å; L568-A644 HydrophobicContact CD2-CB 3.63Å; L568-K648 HydrophobicContact CD1-CB 4.38Å; L568-K648 HydrophobicContact CD2-CB 4.5Å
569M95.7Very high93.2Very high5 Ų564.4 Ų64.43%0.02531%0.311CS..Hα-helixtrans-63.8-36.9177.4-70178.776.300112L565 C566 K567 I572 L573 V580 L628 I630 V657L565-M569 HydrophobicContact CD1-CG 4.1Å; L565-M569 HydrophobicContact CD1-SD 4.08Å; L565-M569 HydrophobicContact CD2-SD 4.38Å; L565-M569 HydrophobicContact CG-CG 4.36Å; L565-M569 HydrophobicContact CG-SD 3.91Å; L565-M569 WeakPolarHBondContact O-CB 3.38Å; L565-M569 WeakPolarHBondContact O-CG 3.4Å; L565-M569 PolarHBondContact O-N 3.14Å; C566-M569 PolarHBondContact O-N 3.46Å; K567-M569 PolarHBondContact O-N 2.91Å; M569-I572 PolarHBondContact O-N 3.47Å; M569-L573 VanDerWaalsContact O-CB 3.28Å; M569-L573 WeakPolarHBondContact O-CB 3.46Å; M569-L573 VanDerWaalsContact O-CG 3.32Å; M569-L573 WeakPolarHBondContact O-CG 3.26Å; M569-L573 PolarHBondContact O-N 3.18Å; M569-V580 HydrophobicContact CB-CG1 4.06Å; M569-V580 HydrophobicContact CB-CG2 4.26Å; M569-V580 HydrophobicContact SD-CG1 4.49Å; M569-L628 HydrophobicContact CE-CD2 3.51Å; M569-I630 HydrophobicContact CE-CD1 3.86Å; M569-I630 HydrophobicContact CE-CG1 4.47Å; M569-I630 HydrophobicContact SD-CD1 3.36Å; M569-I630 WeakPolarHBondContact SD-CD1 3.44Å; M569-V657 HydrophobicContact CB-CG1 4.19Å; M569-V657 HydrophobicContact CE-CG1 4.03Å; M569-V657 HydrophobicContact CE-CG2 4.46Å; M569-V657 HydrophobicContact CG-CG1 3.86Å; M569-V657 HydrophobicContact CG-CG2 3.96Å
570K95.9Very high93.4Very high49 Ų4961.1 Ų61.121%0.21330%0.298CS..Hα-helixtrans-65.4-40174.117858.6-179.9112.50111.8C566 K567 L568 L573 D574 V577 E578 V580C566-K570 WeakPolarHBondContact O-CB 3.5Å; C566-K570 PolarHBondContact O-N 2.84Å; K567-K570 PolarHBondContact O-N 2.63Å; L568-K570 VanDerWaalsContact C-N 3.31Å; L568-K570 PolarHBondContact O-N 3.47Å; K570-L573 CarbonylContact O-C 3.58Å; K570-L573 PolarHBondContact O-N 3.46Å; K570-D574 PolarHBondContact NZ-O 3.15Å; K570-D574 IonicContact NZ-OD1 3.47Å; K570-D574 PolarHBondContact NZ-OD1 2.93Å; K570-D574 WeakPolarHBondContact O-CA 3.34Å; K570-D574 PolarHBondContact O-N 3.01Å; K570-V577 HydrophobicContact CD-CG2 4.22Å; K570-V577 VanDerWaalsContact CE-O 3.26Å; K570-V577 WeakPolarHBondContact CE-O 3.5Å; K570-V577 PolarHBondContact NZ-O 2.79Å; K570-E578 WeakPolarHBondContact CE-O 3.25Å; K570-V580 HydrophobicContact CB-CB 4.43Å; K570-V580 HydrophobicContact CB-CG2 3.9Å; K570-V580 HydrophobicContact CD-CG2 4.5Å
571E94.1Very high93.5Very high140 Ų14059.6 Ų59.665%0.65428%0.282SS*.Hα-helixtrans-63.6-43.2175.2-71.6170.6-169.100111.7K567 L568 L573K567-E571 WeakPolarHBondContact O-CG 3.46Å; K567-E571 PolarHBondContact O-N 3.1Å; L568-E571 PolarHBondContact O-N 2.92Å; E571-L573 VanDerWaalsContact C-N 3.3Å; E571-L573 PolarHBondContact O-N 3.1Å
572I93.4Very high93.5Very high41 Ų4155.2 Ų55.221%0.2126%0.263CS..Hα-helixtrans-63.4-38.6176.8-65.6160.4000111.1L568 M569 K654 V657 V658L568-I572 HydrophobicContact CD1-CD1 4.12Å; L568-I572 HydrophobicContact CD1-CG1 4.43Å; L568-I572 HydrophobicContact CG-CD1 3.88Å; L568-I572 WeakPolarHBondContact O-CD1 3.42Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.31Å; L568-I572 PolarHBondContact O-N 2.98Å; M569-I572 PolarHBondContact O-N 3.47Å; I572-K654 HydrophobicContact CD1-CB 4.27Å; I572-K654 HydrophobicContact CD1-CG 3.82Å; I572-K654 HydrophobicContact CG1-CB 4.44Å; I572-K654 HydrophobicContact CG1-CG 3.97Å; I572-V657 HydrophobicContact CB-CG1 4.24Å; I572-V657 HydrophobicContact CD1-CB 4.04Å; I572-V657 HydrophobicContact CD1-CG1 4Å; I572-V657 HydrophobicContact CD1-CG2 4.08Å; I572-V657 HydrophobicContact CG2-CB 4.39Å; I572-V657 HydrophobicContact CG2-CG1 3.95Å; I572-V658 HydrophobicContact CG2-CG2 3.74Å
573L93.6Very high93.4Very high2 Ų255.7 Ų55.71%0.0127%0.267CS..THydrogen-bonded Turntrans-105.826.8-173.3-58.3172.9000112.7M569 K570 E571 K575 K576 V577 L628 V657 V658 F661M569-L573 VanDerWaalsContact O-CB 3.28Å; M569-L573 WeakPolarHBondContact O-CB 3.46Å; M569-L573 VanDerWaalsContact O-CG 3.32Å; M569-L573 WeakPolarHBondContact O-CG 3.26Å; M569-L573 PolarHBondContact O-N 3.18Å; K570-L573 CarbonylContact O-C 3.58Å; K570-L573 PolarHBondContact O-N 3.46Å; E571-L573 VanDerWaalsContact C-N 3.3Å; E571-L573 PolarHBondContact O-N 3.1Å; L573-K575 VanDerWaalsContact C-N 3.3Å; L573-K575 PolarHBondContact O-N 3.49Å; L573-K575 VanDerWaalsContact O-N 3.11Å; L573-K576 HydrophobicContact CB-CB 4.38Å; L573-K576 WeakPolarHBondContact O-CA 3.48Å; L573-K576 PolarHBondContact O-N 3.11Å; L573-V577 HydrophobicContact CB-CG2 3.71Å; L573-V577 HydrophobicContact CD1-CG2 4.34Å; L573-V577 PolarHBondContact O-N 3.31Å; L573-L628 HydrophobicContact CD1-CD2 3.86Å; L573-V657 HydrophobicContact CD1-CG1 4.08Å; L573-V657 HydrophobicContact CG-CG1 4.2Å; L573-V658 HydrophobicContact CD2-CG2 4.28Å; L573-F661 HydrophobicContact CD1-CB 3.72Å; L573-F661 HydrophobicContact CD1-CD2 3.92Å; L573-F661 HydrophobicContact CD1-CG 3.9Å; L573-F661 HydrophobicContact CD2-CB 3.82Å; L573-F661 HydrophobicContact CD2-CD1 3.98Å; L573-F661 HydrophobicContact CD2-CD2 4.43Å; L573-F661 HydrophobicContact CD2-CG 3.78Å; L573-F661 HydrophobicContact CG-CB 4.45Å; L573-F661 HydrophobicContact CG-CG 4.47Å
574D89.5Confident93.1Very high95 Ų9552.2 Ų52.251%0.50825%0.251SS..THydrogen-bonded Turntrans-55.4-42.2-162.3-176.150.1000114.1K570K570-D574 PolarHBondContact NZ-O 3.15Å; K570-D574 IonicContact NZ-OD1 3.47Å; K570-D574 PolarHBondContact NZ-OD1 2.93Å; K570-D574 WeakPolarHBondContact O-CA 3.34Å; K570-D574 PolarHBondContact O-N 3.01Å
575K89Confident93.1Very high201 Ų20149.7 Ų49.787%0.87424%0.236SC*.THydrogen-bonded Turntrans-87.6-5.7178.2-63.1-174.1178.6-178.80114.4L573L573-K575 VanDerWaalsContact C-N 3.3Å; L573-K575 PolarHBondContact O-N 3.49Å; L573-K575 VanDerWaalsContact O-N 3.11Å
576K88.9Confident93.1Very high71 Ų7149.6 Ų49.631%0.30924%0.235SC..THydrogen-bonded Turntrans-102.7-31.7-173.8-58.9-155.8178.5-163.10113.4L573 F661 E662L573-K576 HydrophobicContact CB-CB 4.38Å; L573-K576 WeakPolarHBondContact O-CA 3.48Å; L573-K576 PolarHBondContact O-N 3.11Å; K576-F661 HydrophobicContact CB-CE1 3.94Å; K576-F661 HydrophobicContact CB-CE2 4.34Å; K576-F661 HydrophobicContact CB-CZ 3.75Å; K576-F661 HydrophobicContact CD-CD1 4Å; K576-F661 HydrophobicContact CD-CE1 3.48Å; K576-F661 VanDerWaalsContact CD-CE1 3.48Å; K576-F661 HydrophobicContact CD-CZ 4.16Å; K576-F661 HydrophobicContact CG-CE1 4.34Å; K576-E662 IonicContact NZ-OE1 2.76Å
577V93Very high93Very high5 Ų550.5 Ų50.53%0.0324%0.24CC..  trans-132.8144.2178.3-60.10000111.4K570 L573 V580 I593 K626 L628 F661K570-V577 HydrophobicContact CD-CG2 4.22Å; K570-V577 VanDerWaalsContact CE-O 3.26Å; K570-V577 WeakPolarHBondContact CE-O 3.5Å; K570-V577 PolarHBondContact NZ-O 2.79Å; L573-V577 HydrophobicContact CB-CG2 3.71Å; L573-V577 HydrophobicContact CD1-CG2 4.34Å; L573-V577 PolarHBondContact O-N 3.31Å; V577-V580 HydrophobicContact CG2-CG2 3.73Å; V577-I593 HydrophobicContact CG1-CD1 4.41Å; V577-K626 WeakPolarHBondContact CA-O 3.33Å; V577-L628 HydrophobicContact CG1-CB 4.28Å; V577-F661 HydrophobicContact CG1-CD2 3.73Å; V577-F661 HydrophobicContact CG1-CE2 3.28Å; V577-F661 HydrophobicContact CG1-CZ 4.22Å
578E92.6Very high93Very high82 Ų8248.6 Ų48.638%0.38324%0.241SC..SBendtrans-81.6-36.5178-177.4176.5-153.300112.1K570 K625 K626 H627K570-E578 WeakPolarHBondContact CE-O 3.25Å; E578-K625 HydrophobicContact CB-CB 4.18Å; E578-K625 HydrophobicContact CB-CG 4.48Å; E578-K625 WeakPolarHBondContact OE1-CE 3.36Å; E578-K625 IonicContact OE1-NZ 3.96Å; E578-K625 PolarHBondContact OE1-NZ 2.96Å; E578-K625 WeakPolarHBondContact OE2-CB 3.45Å; E578-K625 WeakPolarHBondContact OE2-CD 3.48Å; E578-K625 WeakPolarHBondContact OE2-CG 3.38Å; E578-K625 IonicContact OE2-NZ 2.6Å; E578-K626 PolarHBondContact N-O 2.78Å; E578-H627 IonicContact OE2-CE1 3.51Å; E578-H627 PolarHBondContact OE2-CE1 3.33Å; E578-H627 IonicContact OE2-NE2 3.7Å
579K94.6Very high93Very high110 Ų11049.2 Ų49.248%0.47825%0.247SC..EExtended strand (participates in β ladder)trans-143.1141.7-179.4-169.1179.1175.5-177.40110.1H627 L628K579-H627 HydrophobicContact CB-CB 4.31Å; K579-H627 VanDerWaalsContact CB-ND1 3.28Å; K579-H627 WeakPolarHBondContact CB-ND1 3.33Å; K579-H627 PolarHBondContact N-ND1 3.12Å; K579-H627 CarbonylContact O-C 3.53Å; K579-H627 VanDerWaalsContact O-CA 3.29Å; K579-H627 WeakPolarHBondContact O-CA 3.44Å; K579-L628 PolarHBondContact O-N 3.5Å
580V96.5Very high93Very high15 Ų1550.1 Ų50.19%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-114.1127.3167.2-175.60000107.4C566 M569 K570 V577 L628 I630C566-V580 HydrophobicContact CB-CB 4.4Å; C566-V580 HydrophobicContact CB-CG1 4.12Å; M569-V580 HydrophobicContact CB-CG1 4.06Å; M569-V580 HydrophobicContact CB-CG2 4.26Å; M569-V580 HydrophobicContact SD-CG1 4.49Å; K570-V580 HydrophobicContact CB-CB 4.43Å; K570-V580 HydrophobicContact CB-CG2 3.9Å; K570-V580 HydrophobicContact CD-CG2 4.5Å; V577-V580 HydrophobicContact CG2-CG2 3.73Å; V580-L628 WeakPolarHBondContact CA-O 3.3Å; V580-L628 HydrophobicContact CG1-CB 4.38Å; V580-L628 HydrophobicContact CG1-CD2 4.13Å; V580-L628 HydrophobicContact CG1-CG 4.39Å; V580-L628 HydrophobicContact CG2-CB 4.2Å; V580-L628 HydrophobicContact CG2-CD2 4.3Å; V580-I630 HydrophobicContact CG1-CD1 3.51Å; V580-I630 HydrophobicContact CG1-CG1 4.22Å
581T95.8Very high93Very high35 Ų3548 Ų4822%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-149.3164.6-177.3-1710000110.9L628 E629 I630T581-L628 PolarHBondContact N-O 2.78Å; T581-E629 HydrophobicContact CG2-CG 4.06Å; T581-E629 CarbonylContact O-C 3.53Å; T581-E629 VanDerWaalsContact O-CA 3.25Å; T581-E629 WeakPolarHBondContact O-CA 3.5Å; T581-I630 PolarHBondContact O-N 2.99Å
582I93.9Very high93.2Very high9 Ų941.4 Ų41.45%0.04621%0.213CC..EExtended strand (participates in β ladder)trans-87147.6171.1-47.4179.9000109.2M555 S558 K559 F562 I630 P632M555-I582 HydrophobicContact CE-CB 4.5Å; M555-I582 HydrophobicContact CE-CG2 3.88Å; S558-I582 VanDerWaalsContact C-CD1 3.43Å; S558-I582 WeakPolarHBondContact O-CD1 3.4Å; K559-I582 HydrophobicContact CG-CB 4.49Å; K559-I582 HydrophobicContact CG-CD1 4.34Å; F562-I582 HydrophobicContact CB-CD1 3.66Å; F562-I582 HydrophobicContact CB-CG1 4.35Å; F562-I582 HydrophobicContact CD2-CD1 3.75Å; F562-I582 HydrophobicContact CG-CD1 4.09Å; I582-I630 WeakPolarHBondContact CA-O 3.39Å; I582-I630 VanDerWaalsContact CG2-O 3.3Å; I582-I630 WeakPolarHBondContact CG2-O 3.13Å; I582-P632 HydrophobicContact CG2-CB 3.82Å; I582-P632 VanDerWaalsContact CG2-CD 3.43Å; I582-P632 HydrophobicContact CG2-CG 3.55Å
583S91.6Very high93.3Very high14 Ų1439.5 Ų39.510%0.09820%0.204CC..  trans-143143.8174.1-178.20000111.1R585 E629 I630S583-R585 WeakPolarHBondContact OG-CG 3.48Å; S583-R585 PolarHBondContact OG-N 3.19Å; S583-E629 VanDerWaalsContact CB-CD 3.42Å; S583-E629 WeakPolarHBondContact CB-OE2 3.47Å; S583-E629 PolarHBondContact OG-OE2 3.04Å; S583-I630 PolarHBondContact N-O 2.95Å
584N88.1Confident93.4Very high23 Ų2339.4 Ų39.412%0.12320%0.203CC..SBendtrans-89.1-3.5176.164.5-0.3000112.9R504 E547 M555 L586R504-N584 WeakPolarHBondContact CD-O 3.29Å; R504-N584 VanDerWaalsContact CG-O 3.25Å; R504-N584 WeakPolarHBondContact CG-O 3.21Å; R504-N584 PolarHBondContact NE-O 3.4Å; E547-N584 PolarHBondContact OE1-ND2 3.31Å; M555-N584 HydrophobicContact CE-CB 3.91Å; M555-N584 HydrophobicContact CG-CB 4.25Å; M555-N584 HydrophobicContact SD-CB 3.77Å; N584-L586 PolarHBondContact O-N 3.17Å; N584-L586 VanDerWaalsContact O-N 3.17Å
585R91.5Very high93.6Very high3 Ų335 Ų351%0.01118%0.18CC..SBendtrans-64.5-20.2178.783.8173.274.7-163.16.8112.9R504 V538 K540 L543 S583 E629R504-R585 VanDerWaalsContact CB-C 3.47Å; R504-R585 WeakPolarHBondContact CB-O 3.3Å; R504-R585 PolarHBondContact N-O 3.26Å; V538-R585 PolarHBondContact O-NH1 2.82Å; K540-R585 VanDerWaalsContact O-CZ 3.29Å; K540-R585 PolarHBondContact O-NH1 2.89Å; K540-R585 PolarHBondContact O-NH2 3.17Å; L543-R585 VanDerWaalsContact CB-CZ 3.48Å; L543-R585 HydrophobicContact CD2-CB 4.18Å; S583-R585 WeakPolarHBondContact OG-CG 3.48Å; S583-R585 PolarHBondContact OG-N 3.19Å; R585-E629 WeakPolarHBondContact CD-OE2 3.4Å; R585-E629 IonicContact CZ-OE1 3.2Å; R585-E629 IonicContact CZ-OE2 2.99Å; R585-E629 IonicContact NE-OE1 3.94Å; R585-E629 IonicContact NE-OE2 2.96Å; R585-E629 PolarHBondContact NE-OE2 3.34Å; R585-E629 IonicContact NH2-OE1 2.79Å; R585-E629 PolarHBondContact NH2-OE1 3.36Å; R585-E629 IonicContact NH2-OE2 2.59Å
586L93.3Very high93.6Very high0 Ų026.3 Ų26.30%014%0.144CC..  trans-86.9150.4-179.1-60.1179.2000111.5A500 R504 N584 C592 N631A500-L586 HydrophobicContact CB-CD2 3.87Å; R504-L586 PolarHBondContact NH2-O 3.43Å; N584-L586 PolarHBondContact O-N 3.17Å; N584-L586 VanDerWaalsContact O-N 3.17Å; L586-C592 HydrophobicContact CD1-CB 4.36Å; L586-C592 HydrophobicContact CD2-CB 3.89Å; L586-N631 HydrophobicContact CB-CB 3.84Å; L586-N631 HydrophobicContact CD1-CB 4.07Å
587V93.9Very high93.5Very high34 Ų3426 Ų2621%0.20615%0.148CC..SBendtrans-129.3-64.3175.8-179.30000110.9E503 R504 K507 N631E503-V587 HydrophobicContact CB-CB 3.8Å; E503-V587 HydrophobicContact CB-CG2 3.59Å; E503-V587 WeakPolarHBondContact OE2-CA 3.43Å; E503-V587 WeakPolarHBondContact OE2-CB 3.36Å; E503-V587 PolarHBondContact OE2-N 2.9Å; R504-V587 HydrophobicContact CB-CG2 4.13Å; K507-V587 HydrophobicContact CD-CG1 3.96Å; K507-V587 HydrophobicContact CD-CG2 3.84Å; K507-V587 VanDerWaalsContact CE-CG1 3.46Å; K507-V587 HydrophobicContact CG-CG2 4.4Å; V587-N631 PolarHBondContact O-ND2 3.46Å
588S93.5Very high93.1Very high76 Ų7634.9 Ų34.953%0.53118%0.183SC..SBendtrans-92.4-32.7-175.780.30000111.7E503 H634E503-S588 WeakPolarHBondContact OE1-CB 3.39Å; E503-S588 PolarHBondContact OE1-OG 2.79Å; E503-S588 PolarHBondContact OE2-N 3.15Å; S588-H634 PolarHBondContact O-CD2 2.78Å; S588-H634 PolarHBondContact O-NE2 3.17Å
589S94.9Very high92.8Very high23 Ų2333 Ų3316%0.16119%0.185CC..  trans-73.9141.7-178.5-169.90000112C591 N631S589-C591 PolarHBondContact OG-N 3.39Å; S589-C591 PolarHBondContact OG-O 3.46Å; S589-N631 WeakPolarHBondContact O-CB 3.47Å; S589-N631 PolarHBondContact O-ND2 2.87Å
590P95.8Very high92.5Very high24 Ų2428.6 Ų28.616%0.15617%0.165CC..SBendtrans-67.3-34.8171.224.9-33.3000113.1N631 H634 V637 L660P590-N631 WeakPolarHBondContact O-CB 3.39Å; P590-N631 PolarHBondContact O-N 2.98Å; P590-H634 HydrophobicContact CB-CB 4.32Å; P590-V637 HydrophobicContact CB-CG2 4.11Å; P590-V637 WeakPolarHBondContact O-CG2 3.34Å; P590-L660 HydrophobicContact CG-CD2 4.1Å
591C96.3Very high92.3Very high6 Ų628.3 Ų28.34%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-158.8167.1-179.458.60000111.8S589 L628 E629 I630S589-C591 PolarHBondContact OG-N 3.39Å; S589-C591 PolarHBondContact OG-O 3.46Å; C591-L628 HydrophobicContact CB-CD1 3.8Å; C591-E629 CarbonylContact C-O 3.53Å; C591-E629 WeakPolarHBondContact CA-O 3.29Å; C591-E629 WeakPolarHBondContact CB-O 3.21Å; C591-I630 HydrophobicContact CB-CG1 4.42Å
592C96.8Very high92.1Very high0 Ų027.1 Ų27.10%016%0.158CC..EExtended strand (participates in β ladder)trans-147.2156.8171.972.70000111.6F501 L586 E629F501-C592 HydrophobicContact CE1-CB 4.44Å; F501-C592 HydrophobicContact CZ-CB 4.4Å; L586-C592 HydrophobicContact CD1-CB 4.36Å; L586-C592 HydrophobicContact CD2-CB 3.89Å; C592-E629 PolarHBondContact N-O 3.31Å; C592-E629 PolarHBondContact O-N 3.14Å
593I96.6Very high92Very high1 Ų127.3 Ų27.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-97119.1172.2-57.1-59.6000109.5F501 V577 K626 H627 L628 F661 A664 L665 S668 F670F501-I593 WeakPolarHBondContact CZ-O 3.36Å; V577-I593 HydrophobicContact CG1-CD1 4.41Å; I593-K626 HydrophobicContact CG2-CB 3.88Å; I593-K626 HydrophobicContact CG2-CD 4.46Å; I593-K626 HydrophobicContact CG2-CG 4.18Å; I593-H627 CarbonylContact C-O 3.55Å; I593-H627 WeakPolarHBondContact CA-O 3.31Å; I593-L628 HydrophobicContact CD1-CB 4.11Å; I593-L628 HydrophobicContact CD1-CD1 3.52Å; I593-L628 HydrophobicContact CD1-CG 4.41Å; I593-F661 HydrophobicContact CD1-CD2 3.63Å; I593-F661 HydrophobicContact CD1-CE2 3.58Å; I593-F661 HydrophobicContact CG1-CE2 4.35Å; I593-A664 HydrophobicContact CD1-CB 4.43Å; I593-A664 HydrophobicContact CG1-CB 4.05Å; I593-L665 HydrophobicContact CB-CD1 4.46Å; I593-L665 HydrophobicContact CG1-CB 4.21Å; I593-L665 HydrophobicContact CG1-CD1 4.09Å; I593-L665 HydrophobicContact CG2-CD1 4.15Å; I593-S668 PolarHBondContact N-OG 2.74Å; I593-S668 WeakPolarHBondContact O-CB 3.49Å; I593-S668 PolarHBondContact O-OG 3.17Å; I593-S668 VanDerWaalsContact O-OG 3.08Å; I593-F670 HydrophobicContact CB-CD2 4.27Å; I593-F670 HydrophobicContact CB-CE2 4.02Å; I593-F670 HydrophobicContact CG2-CD2 3.98Å; I593-F670 HydrophobicContact CG2-CE2 3.46Å; I593-F670 VanDerWaalsContact CG2-CE2 3.46Å; I593-F670 HydrophobicContact CG2-CZ 4.16Å
594V95.6Very high91.9Very high1 Ų126.7 Ų26.71%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-105150.8177-48.80000110.7F501 E541 H627 E629F501-V594 HydrophobicContact CE1-CG1 3.63Å; F501-V594 HydrophobicContact CZ-CG1 4.13Å; E541-V594 HydrophobicContact CB-CG2 4.02Å; V594-H627 HydrophobicContact CG2-CB 3.73Å; V594-H627 PolarHBondContact N-O 3.45Å; V594-H627 PolarHBondContact O-N 3.31Å; V594-E629 HydrophobicContact CG1-CB 4.29Å; V594-E629 VanDerWaalsContact CG1-CD 3.47Å; V594-E629 HydrophobicContact CG1-CG 3.83Å; V594-E629 HydrophobicContact CG2-CG 4Å
595T92.9Very high92Very high3 Ų326.1 Ų26.12%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-90.2147.9175.455.90000109.6T539 K540 E541 F670T539-T595 PolarHBondContact O-N 3.27Å; T539-T595 PolarHBondContact O-OG1 2.97Å; K540-T595 CarbonylContact C-O 3.48Å; K540-T595 WeakPolarHBondContact CA-O 3.27Å; E541-T595 PolarHBondContact N-O 3.01Å; T595-F670 HydrophobicContact CG2-CE1 4.18Å; T595-F670 HydrophobicContact CG2-CE2 4.3Å; T595-F670 HydrophobicContact CG2-CZ 3.45Å; T595-F670 VanDerWaalsContact CG2-CZ 3.45Å
596S90.4Very high91.8Very high17 Ų1730.1 Ų30.112%0.11917%0.166CC..  trans-57.6162.3169.5-174.20000112.3E541 Y598 K625E541-S596 VanDerWaalsContact OE1-CA 3.29Å; E541-S596 WeakPolarHBondContact OE1-CA 3.38Å; E541-S596 WeakPolarHBondContact OE1-CB 3.44Å; E541-S596 PolarHBondContact OE1-OG 2.88Å; S596-Y598 PolarHBondContact O-N 2.91Å; S596-K625 PolarHBondContact N-O 3.34Å
597T86.3Confident91.6Very high65 Ų6531.1 Ų31.140%0.39917%0.171SC..SBendtrans-56.5-34.8173.848.90000112.6K540 E541K540-T597 PolarHBondContact NZ-O 2.93Å; E541-T597 HydrophobicContact CG-CG2 3.84Å; E541-T597 PolarHBondContact OE1-N 3.3Å
598Y84.6Confident91.3Very high192 Ų19230.5 Ų30.575%0.75317%0.166SC*.SBendtrans-106.4153.6177.6-56.2-80.6000112S596S596-Y598 PolarHBondContact O-N 2.91Å
599G85.5Confident90.8Very high41 Ų4131.6 Ų31.642%0.42316%0.161SC..SBendtrans91.4-173.1-178.100000113.5
600W88.6Confident90.4Very high18 Ų1834.5 Ų34.57%0.06819%0.187CC..  trans-75.3138.9-177.9-68.5-16.6000113.4M604 E605 M608 R614 M619 M622 A624W600-M604 HydrophobicContact CB-CB 3.94Å; W600-M604 HydrophobicContact CB-CG 3.69Å; W600-M604 HydrophobicContact CD2-CG 4.1Å; W600-M604 HydrophobicContact CG-CB 4.22Å; W600-M604 HydrophobicContact CG-CG 3.41Å; W600-M604 VanDerWaalsContact CG-CG 3.41Å; W600-E605 HydrophobicContact CB-CB 4.46Å; W600-E605 HydrophobicContact CE3-CG 4.48Å; W600-M608 HydrophobicContact CD2-CG 4.28Å; W600-M608 HydrophobicContact CE3-CB 4.23Å; W600-M608 HydrophobicContact CE3-CG 4.49Å; W600-M608 HydrophobicContact CH2-CB 4.27Å; W600-M608 HydrophobicContact CH2-CG 4.44Å; W600-M608 HydrophobicContact CZ2-CB 4.44Å; W600-M608 HydrophobicContact CZ2-CG 4.12Å; W600-M608 HydrophobicContact CZ2-SD 4.31Å; W600-M608 HydrophobicContact CZ3-CB 4.1Å; W600-R614 VanDerWaalsContact CZ3-NH1 3.28Å; W600-M619 HydrophobicContact CH2-CG 4.1Å; W600-M619 HydrophobicContact CZ3-CG 3.72Å; W600-M622 HydrophobicContact CD2-CB 3.83Å; W600-M622 VanDerWaalsContact CE2-CB 3.48Å; W600-M622 HydrophobicContact CE3-CB 4.26Å; W600-M622 HydrophobicContact CG-CB 4.31Å; W600-M622 HydrophobicContact CH2-CB 3.92Å; W600-M622 HydrophobicContact CH2-SD 4.49Å; W600-M622 HydrophobicContact CZ2-CB 3.56Å; W600-M622 HydrophobicContact CZ2-CG 4.02Å; W600-M622 HydrophobicContact CZ2-SD 3.47Å; W600-M622 WeakPolarHBondContact CZ2-SD 3.46Å; W600-M622 HydrophobicContact CZ3-CB 4.3Å; W600-M622 PolarHBondContact N-O 2.95Å; W600-M622 PolarHBondContact NE1-SD 3.48Å; W600-A624 WeakPolarHBondContact O-CB 3.41Å
601T92.6Very high89.8Confident9 Ų937.9 Ų37.96%0.05520%0.2CC..  trans-67.6168165.264.30000110.3E521 N603 M604 E605E521-T601 PolarHBondContact OE1-OG1 2.96Å; E521-T601 PolarHBondContact OE2-OG1 3.42Å; T601-N603 VanDerWaalsContact C-N 3.3Å; T601-N603 PolarHBondContact O-N 2.96Å; T601-M604 PolarHBondContact O-N 3.36Å; T601-M604 WeakPolarHBondContact OG1-CB 3.42Å; T601-M604 PolarHBondContact OG1-N 3.47Å; T601-E605 WeakPolarHBondContact O-CB 3.3Å; T601-E605 PolarHBondContact O-N 2.93Å
602A91.3Very high88.7Confident11 Ų1142.5 Ų42.59%0.09124%0.239CC..Hα-helixtrans-56.9-45173.200000111.9E605 R606 S668 F670A602-E605 PolarHBondContact O-N 3.17Å; A602-R606 PolarHBondContact O-N 2.92Å; A602-R606 VanDerWaalsContact O-N 3.09Å; A602-S668 VanDerWaalsContact CB-O 3.28Å; A602-S668 WeakPolarHBondContact CB-O 3.45Å; A602-F670 HydrophobicContact CB-CD1 3.72Å; A602-F670 HydrophobicContact CB-CD2 3.79Å; A602-F670 HydrophobicContact CB-CE1 3.65Å; A602-F670 HydrophobicContact CB-CE2 3.73Å; A602-F670 HydrophobicContact CB-CG 3.82Å; A602-F670 HydrophobicContact CB-CZ 3.71Å
603N91.4Very high87.7Confident13 Ų1350.7 Ų50.77%0.0728%0.282CS..Hα-helixtrans-68.3-40.8178.9-171.838.9000112.3E521 T601 R606 I607E521-N603 HydrophobicContact CG-CB 4.47Å; E521-N603 WeakPolarHBondContact CG-ND2 3.42Å; T601-N603 VanDerWaalsContact C-N 3.3Å; T601-N603 PolarHBondContact O-N 2.96Å; N603-R606 WeakPolarHBondContact O-CB 3.27Å; N603-R606 PolarHBondContact O-N 3.06Å; N603-R606 PolarHBondContact OD1-NE 3.07Å; N603-R606 PolarHBondContact OD1-NH2 3.44Å; N603-I607 WeakPolarHBondContact O-CD1 3.46Å; N603-I607 VanDerWaalsContact O-CG1 3.3Å; N603-I607 WeakPolarHBondContact O-CG1 3.47Å; N603-I607 PolarHBondContact O-N 3.02Å
604M90.1Very high86.6Confident1 Ų152.5 Ų52.51%0.00529%0.289CS..Hα-helixtrans-58.6-48.7172.3-179.861.656.100111.1E521 W600 T601 R606 I607 M608E521-M604 HydrophobicContact CB-CE 3.45Å; E521-M604 VanDerWaalsContact CB-CE 3.45Å; E521-M604 HydrophobicContact CG-CE 3.98Å; E521-M604 WeakPolarHBondContact OE2-CE 3.49Å; W600-M604 HydrophobicContact CB-CB 3.94Å; W600-M604 HydrophobicContact CB-CG 3.69Å; W600-M604 HydrophobicContact CD2-CG 4.1Å; W600-M604 HydrophobicContact CG-CB 4.22Å; W600-M604 HydrophobicContact CG-CG 3.41Å; W600-M604 VanDerWaalsContact CG-CG 3.41Å; T601-M604 PolarHBondContact O-N 3.36Å; T601-M604 WeakPolarHBondContact OG1-CB 3.42Å; T601-M604 PolarHBondContact OG1-N 3.47Å; M604-R606 PolarHBondContact O-N 2.82Å; M604-I607 PolarHBondContact O-N 3.46Å; M604-M608 HydrophobicContact CG-CG 3.96Å; M604-M608 WeakPolarHBondContact O-CB 3.15Å; M604-M608 WeakPolarHBondContact O-CG 3.48Å; M604-M608 PolarHBondContact O-N 2.97Å; M604-M608 HydrophobicContact SD-CE 3.34Å; M604-M608 WeakPolarHBondContact SD-CE 3.5Å; M604-M608 HydrophobicContact SD-CG 3.56Å; M604-M608 VanDerWaalsContact SD-CG 3.56Å; M604-M608 HydrophobicContact SD-SD 4.36Å
605E89.3Confident85.5Confident11 Ų1157.4 Ų57.45%0.05132%0.315CS..Hα-helixtrans-55.3-42.7179-169-170.5142.200111.1W600 T601 A602 K609 M623 K626W600-E605 HydrophobicContact CB-CB 4.46Å; W600-E605 HydrophobicContact CE3-CG 4.48Å; T601-E605 WeakPolarHBondContact O-CB 3.3Å; T601-E605 PolarHBondContact O-N 2.93Å; A602-E605 PolarHBondContact O-N 3.17Å; E605-K609 HydrophobicContact CG-CD 4.24Å; E605-K609 VanDerWaalsContact O-CB 3.28Å; E605-K609 WeakPolarHBondContact O-CB 3.44Å; E605-K609 VanDerWaalsContact O-CG 3.26Å; E605-K609 WeakPolarHBondContact O-CG 3.25Å; E605-K609 PolarHBondContact O-N 3.37Å; E605-K609 WeakPolarHBondContact OE1-CE 3.23Å; E605-K609 IonicContact OE1-NZ 3.51Å; E605-K609 PolarHBondContact OE1-NZ 2.96Å; E605-M623 HydrophobicContact CG-CE 3.71Å; E605-M623 HydrophobicContact CG-SD 4.2Å; E605-M623 WeakPolarHBondContact OE1-CE 3.47Å; E605-K626 IonicContact OE2-NZ 2.91Å; E605-K626 PolarHBondContact OE2-NZ 2.67Å
606R88.9Confident84.4Confident87 Ų8762.6 Ų62.633%0.32834%0.343SS..Hα-helixtrans-63.5-51.2176.6-176.5-169.167.893.29.7112.7E491 A602 N603 M604 M608 K609 A610E491-R606 WeakPolarHBondContact OE1-CD 3.42Å; E491-R606 IonicContact OE1-CZ 3.46Å; E491-R606 IonicContact OE1-NE 2.64Å; E491-R606 PolarHBondContact OE1-NE 2.91Å; E491-R606 IonicContact OE1-NH1 2.69Å; E491-R606 PolarHBondContact OE1-NH1 3.48Å; A602-R606 PolarHBondContact O-N 2.92Å; A602-R606 VanDerWaalsContact O-N 3.09Å; N603-R606 WeakPolarHBondContact O-CB 3.27Å; N603-R606 PolarHBondContact O-N 3.06Å; N603-R606 PolarHBondContact OD1-NE 3.07Å; N603-R606 PolarHBondContact OD1-NH2 3.44Å; M604-R606 PolarHBondContact O-N 2.82Å; R606-M608 VanDerWaalsContact C-N 3.29Å; R606-M608 PolarHBondContact O-N 3.18Å; R606-K609 PolarHBondContact O-N 3.27Å; R606-A610 PolarHBondContact O-N 2.98Å; R606-A610 VanDerWaalsContact O-N 3.1Å
607I89.2Confident83.5Confident20 Ų2065.5 Ų65.510%0.10336%0.363CS..Hα-helixtrans-58.2-47.2178.5-67.1161.3000110.1P518 E521 Y522 N603 M604 K609 A610 Q611P518-I607 HydrophobicContact CB-CD1 3.87Å; P518-I607 HydrophobicContact CB-CG1 4.07Å; P518-I607 HydrophobicContact CB-CG2 4.36Å; E521-I607 HydrophobicContact CB-CD1 4.01Å; E521-I607 HydrophobicContact CG-CD1 3.86Å; Y522-I607 HydrophobicContact CE2-CG2 4.16Å; N603-I607 WeakPolarHBondContact O-CD1 3.46Å; N603-I607 VanDerWaalsContact O-CG1 3.3Å; N603-I607 WeakPolarHBondContact O-CG1 3.47Å; N603-I607 PolarHBondContact O-N 3.02Å; M604-I607 PolarHBondContact O-N 3.46Å; I607-K609 PolarHBondContact O-N 3.05Å; I607-A610 PolarHBondContact O-N 3.5Å; I607-A610 VanDerWaalsContact O-N 3.16Å; I607-Q611 PolarHBondContact O-N 2.86Å
608M86.4Confident82.5Confident21 Ų2165.5 Ų65.510%0.10336%0.363CS..Hα-helixtrans-65.6-34.8-178.3-79.1-63.6166.300113Y522 W600 M604 R606 R614Y522-M608 HydrophobicContact CE1-CE 3.44Å; Y522-M608 VanDerWaalsContact CE1-CE 3.44Å; Y522-M608 HydrophobicContact CE2-CE 4.45Å; Y522-M608 VanDerWaalsContact CZ-CE 3.41Å; Y522-M608 WeakPolarHBondContact OH-CE 3.37Å; W600-M608 HydrophobicContact CD2-CG 4.28Å; W600-M608 HydrophobicContact CE3-CB 4.23Å; W600-M608 HydrophobicContact CE3-CG 4.49Å; W600-M608 HydrophobicContact CH2-CB 4.27Å; W600-M608 HydrophobicContact CH2-CG 4.44Å; W600-M608 HydrophobicContact CZ2-CB 4.44Å; W600-M608 HydrophobicContact CZ2-CG 4.12Å; W600-M608 HydrophobicContact CZ2-SD 4.31Å; W600-M608 HydrophobicContact CZ3-CB 4.1Å; M604-M608 HydrophobicContact CG-CG 3.96Å; M604-M608 WeakPolarHBondContact O-CB 3.15Å; M604-M608 WeakPolarHBondContact O-CG 3.48Å; M604-M608 PolarHBondContact O-N 2.97Å; M604-M608 HydrophobicContact SD-CE 3.34Å; M604-M608 WeakPolarHBondContact SD-CE 3.5Å; M604-M608 HydrophobicContact SD-CG 3.56Å; M604-M608 VanDerWaalsContact SD-CG 3.56Å; M604-M608 HydrophobicContact SD-SD 4.36Å; R606-M608 VanDerWaalsContact C-N 3.29Å; R606-M608 PolarHBondContact O-N 3.18Å; M608-R614 VanDerWaalsContact CB-NH1 3.31Å; M608-R614 PolarHBondContact O-NE 3.49Å; M608-R614 PolarHBondContact O-NH1 3.01Å
609K84.3Confident81.6Confident99 Ų9957.8 Ų57.843%0.4333%0.334SS..Hα-helixtrans-68.9-32.8172.2-85.9174.7171.91770113.2E605 R606 I607 Q611 M619E605-K609 HydrophobicContact CG-CD 4.24Å; E605-K609 VanDerWaalsContact O-CB 3.28Å; E605-K609 WeakPolarHBondContact O-CB 3.44Å; E605-K609 VanDerWaalsContact O-CG 3.26Å; E605-K609 WeakPolarHBondContact O-CG 3.25Å; E605-K609 PolarHBondContact O-N 3.37Å; E605-K609 WeakPolarHBondContact OE1-CE 3.23Å; E605-K609 IonicContact OE1-NZ 3.51Å; E605-K609 PolarHBondContact OE1-NZ 2.96Å; R606-K609 PolarHBondContact O-N 3.27Å; I607-K609 PolarHBondContact O-N 3.05Å; K609-Q611 VanDerWaalsContact C-N 3.31Å; K609-M619 HydrophobicContact CB-CE 4.39Å; K609-M619 HydrophobicContact CD-CE 3.82Å; K609-M619 HydrophobicContact CG-CE 3.11Å
610A85.3Confident80.6Confident85 Ų8559 Ų5970%0.70235%0.347SS*.Hα-helixtrans-80.2-10.8-177.900000113.5R606 I607 A612R606-A610 PolarHBondContact O-N 2.98Å; R606-A610 VanDerWaalsContact O-N 3.1Å; I607-A610 PolarHBondContact O-N 3.5Å; I607-A610 VanDerWaalsContact O-N 3.16Å; A610-A612 PolarHBondContact O-N 3.08Å
611Q84Confident79.4Confident94 Ų9468.8 Ų68.844%0.43939%0.385SS..  trans-80.9110.1-178.1-170.7174.8-14.400112I607 K609 L613 R614I607-Q611 PolarHBondContact O-N 2.86Å; K609-Q611 VanDerWaalsContact C-N 3.31Å; Q611-L613 PolarHBondContact O-N 3.01Å; Q611-R614 HydrophobicContact CB-CB 4.47Å; Q611-R614 HydrophobicContact CG-CB 4.46Å; Q611-R614 PolarHBondContact O-N 2.96Å
612A72.8Confident78.4Confident103 Ų10372.6 Ų72.685%0.85140%0.403SS*.THydrogen-bonded Turntrans-64-31.3-171.900000115.9A610 R614A610-A612 PolarHBondContact O-N 3.08Å; A612-R614 VanDerWaalsContact C-N 3.34Å; A612-R614 PolarHBondContact O-N 3.22Å
613L75.9Confident77.6Confident173 Ų17375 Ų7591%0.90641%0.414SS*.THydrogen-bonded Turntrans-92.514-173.6-65.2176.3000114Q611Q611-L613 PolarHBondContact O-N 3.01Å
614R72.9Confident76.8Confident39 Ų3974.8 Ų74.815%0.14741%0.413CS..  trans-97.6139.4-172.3-164.4-165.166.3162.2-0.8112W600 M608 Q611 A612 N616 M619W600-R614 VanDerWaalsContact CZ3-NH1 3.28Å; M608-R614 VanDerWaalsContact CB-NH1 3.31Å; M608-R614 PolarHBondContact O-NE 3.49Å; M608-R614 PolarHBondContact O-NH1 3.01Å; Q611-R614 HydrophobicContact CB-CB 4.47Å; Q611-R614 HydrophobicContact CG-CB 4.46Å; Q611-R614 PolarHBondContact O-N 2.96Å; A612-R614 VanDerWaalsContact C-N 3.34Å; A612-R614 PolarHBondContact O-N 3.22Å; R614-N616 PolarHBondContact NH2-OD1 3.09Å; R614-N616 PolarHBondContact O-N 3.21Å; R614-M619 VanDerWaalsContact NH2-CE 3.3Å; R614-M619 VanDerWaalsContact NH2-CG 3.32Å; R614-M619 PolarHBondContact NH2-SD 3.46Å
615D73Confident76.6Confident103 Ų10380.6 Ų80.655%0.55144%0.439SS*.  trans-72.7121.4171.5-1764.1000111.6S617 T618D615-S617 PolarHBondContact O-N 3.4Å; D615-S617 WeakPolarHBondContact OD1-CB 3.15Å; D615-S617 PolarHBondContact OD1-N 2.99Å; D615-S617 PolarHBondContact OD1-OG 2.99Å; D615-S617 PolarHBondContact OD2-OG 3.39Å; D615-T618 PolarHBondContact O-OG1 2.71Å; D615-T618 VanDerWaalsContact O-OG1 3.06Å
616N70.1Confident76.7Confident112 Ų11281.9 Ų81.960%0.59944%0.444SS*.G310 helixtrans-74.3-8.2179.4-74.5-27.9000113.7R614 T618 M619R614-N616 PolarHBondContact NH2-OD1 3.09Å; R614-N616 PolarHBondContact O-N 3.21Å; N616-T618 VanDerWaalsContact C-N 3.29Å; N616-T618 PolarHBondContact O-N 3.28Å; N616-M619 WeakPolarHBondContact O-CB 3.41Å; N616-M619 PolarHBondContact O-N 3.04Å
617S71.3Confident77Confident79 Ų7978.2 Ų78.255%0.55243%0.431SS*.G310 helixtrans-65.1-30.9177.3740000113.1D615 M619D615-S617 PolarHBondContact O-N 3.4Å; D615-S617 WeakPolarHBondContact OD1-CB 3.15Å; D615-S617 PolarHBondContact OD1-N 2.99Å; D615-S617 PolarHBondContact OD1-OG 2.99Å; D615-S617 PolarHBondContact OD2-OG 3.39Å; S617-M619 VanDerWaalsContact C-N 3.32Å; S617-M619 PolarHBondContact O-N 2.83Å
618T64.8Low77.4Confident65 Ų6577.3 Ų77.340%0.39943%0.426SS..G310 helixtrans-79.6-10.7-177.948.80000114.2D615 N616 G620D615-T618 PolarHBondContact O-OG1 2.71Å; D615-T618 VanDerWaalsContact O-OG1 3.06Å; N616-T618 VanDerWaalsContact C-N 3.29Å; N616-T618 PolarHBondContact O-N 3.28Å; T618-G620 PolarHBondContact O-N 2.75Å
619M65.3Low77.8Confident30 Ų3076.9 Ų76.915%0.14842%0.424CS..Hα-helixtrans-62.4-40.2-178.9-113172.8155.300113.3W600 K609 R614 N616 S617 Y621 M622 M623W600-M619 HydrophobicContact CH2-CG 4.1Å; W600-M619 HydrophobicContact CZ3-CG 3.72Å; K609-M619 HydrophobicContact CB-CE 4.39Å; K609-M619 HydrophobicContact CD-CE 3.82Å; K609-M619 HydrophobicContact CG-CE 3.11Å; R614-M619 VanDerWaalsContact NH2-CE 3.3Å; R614-M619 VanDerWaalsContact NH2-CG 3.32Å; R614-M619 PolarHBondContact NH2-SD 3.46Å; N616-M619 WeakPolarHBondContact O-CB 3.41Å; N616-M619 PolarHBondContact O-N 3.04Å; S617-M619 VanDerWaalsContact C-N 3.32Å; S617-M619 PolarHBondContact O-N 2.83Å; M619-Y621 PolarHBondContact O-N 2.82Å; M619-M622 PolarHBondContact O-N 3.18Å; M619-M623 HydrophobicContact CE-CE 3.65Å; M619-M623 HydrophobicContact CG-CE 4.06Å; M619-M623 WeakPolarHBondContact O-CG 3.09Å; M619-M623 PolarHBondContact O-N 3.06Å; M619-M623 HydrophobicContact SD-CE 4.3Å
620G64.4Low78.4Confident66 Ų6672.3 Ų72.368%0.6840%0.404SS*.Hα-helixtrans-60.9-31.5-174.400000113.6T618T618-G620 PolarHBondContact O-N 2.75Å
621Y63.6Low78.9Confident223 Ų22368.3 Ų68.388%0.87537%0.371SS*.Hα-helixtrans-86.3-24.2179.3-83.2-88.4000114M619M619-Y621 PolarHBondContact O-N 2.82Å
622M72.1Confident79.4Confident89 Ų8964.3 Ų64.344%0.43835%0.353SS..Hα-helixtrans-102.7-9.2-176.4-61.6-155.9-167.500114.2W600 M619 A624W600-M622 HydrophobicContact CD2-CB 3.83Å; W600-M622 VanDerWaalsContact CE2-CB 3.48Å; W600-M622 HydrophobicContact CE3-CB 4.26Å; W600-M622 HydrophobicContact CG-CB 4.31Å; W600-M622 HydrophobicContact CH2-CB 3.92Å; W600-M622 HydrophobicContact CH2-SD 4.49Å; W600-M622 HydrophobicContact CZ2-CB 3.56Å; W600-M622 HydrophobicContact CZ2-CG 4.02Å; W600-M622 HydrophobicContact CZ2-SD 3.47Å; W600-M622 WeakPolarHBondContact CZ2-SD 3.46Å; W600-M622 HydrophobicContact CZ3-CB 4.3Å; W600-M622 PolarHBondContact N-O 2.95Å; W600-M622 PolarHBondContact NE1-SD 3.48Å; M619-M622 PolarHBondContact O-N 3.18Å; M622-A624 PolarHBondContact O-N 3.17Å
623M74.8Confident80.4Confident62 Ų6265.3 Ų65.331%0.30534%0.344SS..  trans-58.5105.7170-81.9-81.1161.700109.6E605 M619 K625E605-M623 HydrophobicContact CG-CE 3.71Å; E605-M623 HydrophobicContact CG-SD 4.2Å; E605-M623 WeakPolarHBondContact OE1-CE 3.47Å; M619-M623 HydrophobicContact CE-CE 3.65Å; M619-M623 HydrophobicContact CG-CE 4.06Å; M619-M623 WeakPolarHBondContact O-CG 3.09Å; M619-M623 PolarHBondContact O-N 3.06Å; M619-M623 HydrophobicContact SD-CE 4.3Å; M623-K625 PolarHBondContact O-N 2.97Å
624A73.9Confident81.4Confident8 Ų858.8 Ų58.87%0.06631%0.309CS..  trans-63.7138.9175.300000109.4W600 M622W600-A624 WeakPolarHBondContact O-CB 3.41Å; M622-A624 PolarHBondContact O-N 3.17Å
625K85.2Confident82.5Confident123 Ų12361.3 Ų61.354%0.53533%0.33SS..  trans-62.6141.8166.6-75145.1149-150.50109.4E578 S596 M623E578-K625 HydrophobicContact CB-CB 4.18Å; E578-K625 HydrophobicContact CB-CG 4.48Å; E578-K625 WeakPolarHBondContact OE1-CE 3.36Å; E578-K625 IonicContact OE1-NZ 3.96Å; E578-K625 PolarHBondContact OE1-NZ 2.96Å; E578-K625 WeakPolarHBondContact OE2-CB 3.45Å; E578-K625 WeakPolarHBondContact OE2-CD 3.48Å; E578-K625 WeakPolarHBondContact OE2-CG 3.38Å; E578-K625 IonicContact OE2-NZ 2.6Å; S596-K625 PolarHBondContact N-O 3.34Å; M623-K625 PolarHBondContact O-N 2.97Å
626K92.3Very high83.6Confident39 Ų3959.6 Ų59.617%0.1732%0.32CS..EExtended strand (participates in β ladder)trans-104.3132.6-176.7-65.2171.1172.966.20108.6V577 E578 I593 E605 L665 F670V577-K626 WeakPolarHBondContact CA-O 3.33Å; E578-K626 PolarHBondContact N-O 2.78Å; I593-K626 HydrophobicContact CG2-CB 3.88Å; I593-K626 HydrophobicContact CG2-CD 4.46Å; I593-K626 HydrophobicContact CG2-CG 4.18Å; E605-K626 IonicContact OE2-NZ 2.91Å; E605-K626 PolarHBondContact OE2-NZ 2.67Å; K626-L665 HydrophobicContact CD-CD1 4.06Å; K626-F670 HydrophobicContact CD-CD1 4.46Å; K626-F670 HydrophobicContact CD-CE1 4.23Å; K626-F670 HydrophobicContact CD-CZ 4.37Å; K626-F670 HydrophobicContact CG-CE1 4.21Å; K626-F670 HydrophobicContact CG-CZ 4.03Å
627H95.3Very high84.8Confident10 Ų1054.5 Ų54.55%0.04629%0.293CS..EExtended strand (participates in β ladder)trans-117.8143.4173.6-47.5-74.2000109.8E541 E578 K579 I593 V594E541-H627 IonicContact OE1-NE2 3.91Å; E541-H627 IonicContact OE2-CD2 3.37Å; E541-H627 IonicContact OE2-NE2 2.63Å; E541-H627 PolarHBondContact OE2-NE2 3.42Å; E578-H627 IonicContact OE2-CE1 3.51Å; E578-H627 PolarHBondContact OE2-CE1 3.33Å; E578-H627 IonicContact OE2-NE2 3.7Å; K579-H627 HydrophobicContact CB-CB 4.31Å; K579-H627 VanDerWaalsContact CB-ND1 3.28Å; K579-H627 WeakPolarHBondContact CB-ND1 3.33Å; K579-H627 PolarHBondContact N-ND1 3.12Å; K579-H627 CarbonylContact O-C 3.53Å; K579-H627 VanDerWaalsContact O-CA 3.29Å; K579-H627 WeakPolarHBondContact O-CA 3.44Å; I593-H627 CarbonylContact C-O 3.55Å; I593-H627 WeakPolarHBondContact CA-O 3.31Å; V594-H627 HydrophobicContact CG2-CB 3.73Å; V594-H627 PolarHBondContact N-O 3.45Å; V594-H627 PolarHBondContact O-N 3.31Å
628L96.9Very high85.9Confident1 Ų152.6 Ų52.61%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-97.7115.2175.2179.467000108.7M569 L573 V577 K579 V580 T581 C591 I593 I630 A664M569-L628 HydrophobicContact CE-CD2 3.51Å; L573-L628 HydrophobicContact CD1-CD2 3.86Å; V577-L628 HydrophobicContact CG1-CB 4.28Å; K579-L628 PolarHBondContact O-N 3.5Å; V580-L628 WeakPolarHBondContact CA-O 3.3Å; V580-L628 HydrophobicContact CG1-CB 4.38Å; V580-L628 HydrophobicContact CG1-CD2 4.13Å; V580-L628 HydrophobicContact CG1-CG 4.39Å; V580-L628 HydrophobicContact CG2-CB 4.2Å; V580-L628 HydrophobicContact CG2-CD2 4.3Å; T581-L628 PolarHBondContact N-O 2.78Å; C591-L628 HydrophobicContact CB-CD1 3.8Å; I593-L628 HydrophobicContact CD1-CB 4.11Å; I593-L628 HydrophobicContact CD1-CD1 3.52Å; I593-L628 HydrophobicContact CD1-CG 4.41Å; L628-I630 HydrophobicContact CG-CG1 4.42Å; L628-A664 HydrophobicContact CD1-CB 4.46Å
629E96.3Very high87.2Confident11 Ų1153 Ų535%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-96.4136.6172.2-72.7-172.9-174.600110.1T581 S583 R585 C591 C592 V594T581-E629 HydrophobicContact CG2-CG 4.06Å; T581-E629 CarbonylContact O-C 3.53Å; T581-E629 VanDerWaalsContact O-CA 3.25Å; T581-E629 WeakPolarHBondContact O-CA 3.5Å; S583-E629 VanDerWaalsContact CB-CD 3.42Å; S583-E629 WeakPolarHBondContact CB-OE2 3.47Å; S583-E629 PolarHBondContact OG-OE2 3.04Å; R585-E629 WeakPolarHBondContact CD-OE2 3.4Å; R585-E629 IonicContact CZ-OE1 3.2Å; R585-E629 IonicContact CZ-OE2 2.99Å; R585-E629 IonicContact NE-OE1 3.94Å; R585-E629 IonicContact NE-OE2 2.96Å; R585-E629 PolarHBondContact NE-OE2 3.34Å; R585-E629 IonicContact NH2-OE1 2.79Å; R585-E629 PolarHBondContact NH2-OE1 3.36Å; R585-E629 IonicContact NH2-OE2 2.59Å; C591-E629 CarbonylContact C-O 3.53Å; C591-E629 WeakPolarHBondContact CA-O 3.29Å; C591-E629 WeakPolarHBondContact CB-O 3.21Å; C592-E629 PolarHBondContact N-O 3.31Å; C592-E629 PolarHBondContact O-N 3.14Å; V594-E629 HydrophobicContact CG1-CB 4.29Å; V594-E629 VanDerWaalsContact CG1-CD 3.47Å; V594-E629 HydrophobicContact CG1-CG 3.83Å; V594-E629 HydrophobicContact CG2-CG 4Å
630I96.5Very high88.5Confident3 Ų351.8 Ų51.82%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-116.5141.6-175.4-59.4174.1000110.1M569 V580 T581 I582 S583 C591 L628 V637M569-I630 HydrophobicContact CE-CD1 3.86Å; M569-I630 HydrophobicContact CE-CG1 4.47Å; M569-I630 HydrophobicContact SD-CD1 3.36Å; M569-I630 WeakPolarHBondContact SD-CD1 3.44Å; V580-I630 HydrophobicContact CG1-CD1 3.51Å; V580-I630 HydrophobicContact CG1-CG1 4.22Å; T581-I630 PolarHBondContact O-N 2.99Å; I582-I630 WeakPolarHBondContact CA-O 3.39Å; I582-I630 VanDerWaalsContact CG2-O 3.3Å; I582-I630 WeakPolarHBondContact CG2-O 3.13Å; S583-I630 PolarHBondContact N-O 2.95Å; C591-I630 HydrophobicContact CB-CG1 4.42Å; L628-I630 HydrophobicContact CG-CG1 4.42Å; I630-V637 HydrophobicContact CG2-CB 4.09Å; I630-V637 HydrophobicContact CG2-CG1 3.34Å; I630-V637 HydrophobicContact CG2-CG2 3.56Å
631N95.9Very high89.9Confident2 Ų250.8 Ų50.81%0.01125%0.248CC..  trans-90.7111.2173-177.8-2000110.7L586 V587 S589 P590 D633 H634 V637L586-N631 HydrophobicContact CB-CB 3.84Å; L586-N631 HydrophobicContact CD1-CB 4.07Å; V587-N631 PolarHBondContact O-ND2 3.46Å; S589-N631 WeakPolarHBondContact O-CB 3.47Å; S589-N631 PolarHBondContact O-ND2 2.87Å; P590-N631 WeakPolarHBondContact O-CB 3.39Å; P590-N631 PolarHBondContact O-N 2.98Å; N631-D633 PolarHBondContact O-N 2.86Å; N631-D633 PolarHBondContact OD1-N 3.26Å; N631-D633 VanDerWaalsContact OD1-N 3.16Å; N631-H634 HydrophobicContact CB-CB 4.2Å; N631-H634 PolarHBondContact O-N 3.37Å; N631-V637 WeakPolarHBondContact O-CB 3.38Å; N631-V637 WeakPolarHBondContact O-CG2 3.4Å
632P94.7Very high91.4Very high10 Ų1045.1 Ų45.17%0.06523%0.23CC..THydrogen-bonded Turntrans-69.8-20-174.830.8-32.5000112.9M555 F562 I582 H634M555-P632 HydrophobicContact SD-CG 4.45Å; F562-P632 HydrophobicContact CD2-CB 3.97Å; F562-P632 HydrophobicContact CE2-CB 3.51Å; F562-P632 HydrophobicContact CZ-CB 4.22Å; F562-P632 WeakPolarHBondContact CZ-O 3.39Å; I582-P632 HydrophobicContact CG2-CB 3.82Å; I582-P632 VanDerWaalsContact CG2-CD 3.43Å; I582-P632 HydrophobicContact CG2-CG 3.55Å; P632-H634 VanDerWaalsContact C-N 3.35Å
633D94.1Very high92.2Very high123 Ų12345.9 Ų45.966%0.65823%0.23SC*.THydrogen-bonded Turntrans-86.6-7.5-177.3-60.8-31.6000112.5N631N631-D633 PolarHBondContact O-N 2.86Å; N631-D633 PolarHBondContact OD1-N 3.26Å; N631-D633 VanDerWaalsContact OD1-N 3.16Å
634H96.8Very high92.8Very high36 Ų3643 Ų4317%0.16722%0.216CC..  trans-79.2132.9-174.3-165.4-81.2000111.8S588 P590 N631 P632 I636 V637 E638S588-H634 PolarHBondContact O-CD2 2.78Å; S588-H634 PolarHBondContact O-NE2 3.17Å; P590-H634 HydrophobicContact CB-CB 4.32Å; N631-H634 HydrophobicContact CB-CB 4.2Å; N631-H634 PolarHBondContact O-N 3.37Å; P632-H634 VanDerWaalsContact C-N 3.35Å; H634-I636 VanDerWaalsContact C-N 3.3Å; H634-I636 VanDerWaalsContact CE1-CG1 3.5Å; H634-I636 WeakPolarHBondContact CE1-CG1 3.47Å; H634-I636 WeakPolarHBondContact ND1-CB 3.48Å; H634-I636 PolarHBondContact ND1-N 2.87Å; H634-I636 VanDerWaalsContact ND1-N 3.15Å; H634-I636 PolarHBondContact O-N 3.19Å; H634-V637 HydrophobicContact CB-CB 4.32Å; H634-V637 HydrophobicContact CB-CG2 4Å; H634-V637 WeakPolarHBondContact O-CB 3.5Å; H634-V637 PolarHBondContact O-N 2.75Å; H634-E638 PolarHBondContact O-N 2.96Å; H634-E638 VanDerWaalsContact O-N 3.1Å
635P95.8Very high93.4Very high93 Ų9346.9 Ų46.960%0.60424%0.236SC*.Hα-helixtrans-56.1-38.9-178-27.934.8000114.4V637 E638 T639P635-V637 VanDerWaalsContact C-N 3.31Å; P635-V637 PolarHBondContact O-N 3.1Å; P635-E638 PolarHBondContact O-N 2.97Å; P635-T639 WeakPolarHBondContact O-CB 3.45Å; P635-T639 PolarHBondContact O-N 3.36Å; P635-T639 PolarHBondContact O-OG1 2.91Å
636I94.8Very high93.7Very high66 Ų6645.1 Ų45.134%0.33824%0.244SC..Hα-helixtrans-60.3-41.5175.1-62.7174.6000111.1H634 T639 L640 L660H634-I636 VanDerWaalsContact C-N 3.3Å; H634-I636 VanDerWaalsContact CE1-CG1 3.5Å; H634-I636 WeakPolarHBondContact CE1-CG1 3.47Å; H634-I636 WeakPolarHBondContact ND1-CB 3.48Å; H634-I636 PolarHBondContact ND1-N 2.87Å; H634-I636 VanDerWaalsContact ND1-N 3.15Å; H634-I636 PolarHBondContact O-N 3.19Å; I636-T639 PolarHBondContact O-N 3.17Å; I636-L640 HydrophobicContact CG2-CD1 4.11Å; I636-L640 HydrophobicContact CG2-CG 4.37Å; I636-L640 WeakPolarHBondContact O-CB 3.49Å; I636-L640 VanDerWaalsContact O-CG 3.3Å; I636-L640 WeakPolarHBondContact O-CG 3.19Å; I636-L640 PolarHBondContact O-N 3.28Å; I636-L660 HydrophobicContact CG2-CD1 3.89Å; I636-L660 HydrophobicContact CG2-CD2 4.39Å
637V95.3Very high93.5Very high5 Ų547.1 Ų47.13%0.0326%0.257CS..Hα-helixtrans-70.2-41.8-177.2174.40000110.8F562 L565 P590 I630 N631 H634 P635 T639 L640 R641F562-V637 HydrophobicContact CD1-CG1 3.99Å; F562-V637 HydrophobicContact CE1-CG1 3.71Å; F562-V637 HydrophobicContact CZ-CG1 4.33Å; L565-V637 HydrophobicContact CD2-CG1 4.18Å; P590-V637 HydrophobicContact CB-CG2 4.11Å; P590-V637 WeakPolarHBondContact O-CG2 3.34Å; I630-V637 HydrophobicContact CG2-CB 4.09Å; I630-V637 HydrophobicContact CG2-CG1 3.34Å; I630-V637 HydrophobicContact CG2-CG2 3.56Å; N631-V637 WeakPolarHBondContact O-CB 3.38Å; N631-V637 WeakPolarHBondContact O-CG2 3.4Å; H634-V637 HydrophobicContact CB-CB 4.32Å; H634-V637 HydrophobicContact CB-CG2 4Å; H634-V637 WeakPolarHBondContact O-CB 3.5Å; H634-V637 PolarHBondContact O-N 2.75Å; P635-V637 VanDerWaalsContact C-N 3.31Å; P635-V637 PolarHBondContact O-N 3.1Å; V637-T639 VanDerWaalsContact C-N 3.32Å; V637-T639 PolarHBondContact O-N 2.99Å; V637-L640 PolarHBondContact O-N 3.25Å; V637-R641 PolarHBondContact O-N 3.22Å
638E94.1Very high93Very high39 Ų3951.9 Ų51.918%0.18228%0.278CS..Hα-helixtrans-63.2-39.9173.3-178.956-144.200111.6K561 F562 H634 P635 R641 Q642K561-E638 WeakPolarHBondContact CE-OE2 3.48Å; K561-E638 IonicContact NZ-OE1 3.14Å; K561-E638 IonicContact NZ-OE2 2.81Å; K561-E638 PolarHBondContact NZ-OE2 2.91Å; F562-E638 WeakPolarHBondContact CZ-OE2 3.22Å; H634-E638 PolarHBondContact O-N 2.96Å; H634-E638 VanDerWaalsContact O-N 3.1Å; P635-E638 PolarHBondContact O-N 2.97Å; E638-R641 WeakPolarHBondContact O-CB 3.49Å; E638-R641 PolarHBondContact O-N 2.64Å; E638-R641 IonicContact OE1-CZ 3.73Å; E638-R641 IonicContact OE1-NE 3.38Å; E638-R641 PolarHBondContact OE1-NE 3.3Å; E638-R641 IonicContact OE1-NH2 2.66Å; E638-R641 PolarHBondContact OE1-NH2 3.34Å; E638-R641 VanDerWaalsContact OE1-NH2 3.11Å; E638-R641 IonicContact OE2-NE 3.85Å; E638-Q642 WeakPolarHBondContact O-CG 3.44Å; E638-Q642 PolarHBondContact O-N 3.15Å; E638-Q642 PolarHBondContact OE1-NE2 2.75Å; E638-Q642 VanDerWaalsContact OE1-NE2 3.09Å
639T94.1Very high92.5Very high74 Ų7457.4 Ų57.445%0.45431%0.307SS..Hα-helixtrans-64.1-42.8176-55.60000111.3P635 I636 V637 R641 Q642 K643P635-T639 WeakPolarHBondContact O-CB 3.45Å; P635-T639 PolarHBondContact O-N 3.36Å; P635-T639 PolarHBondContact O-OG1 2.91Å; I636-T639 PolarHBondContact O-N 3.17Å; V637-T639 VanDerWaalsContact C-N 3.32Å; V637-T639 PolarHBondContact O-N 2.99Å; T639-R641 VanDerWaalsContact C-N 3.31Å; T639-R641 PolarHBondContact O-N 3.05Å; T639-Q642 PolarHBondContact O-N 2.86Å; T639-K643 HydrophobicContact CG2-CG 4.42Å; T639-K643 WeakPolarHBondContact O-CB 3.43Å; T639-K643 WeakPolarHBondContact O-CG 3.49Å; T639-K643 PolarHBondContact O-N 3.19Å
640L92.5Very high91.9Very high5 Ų559.1 Ų59.13%0.02632%0.317CS..Hα-helixtrans-61-39.8175.3-77.3172.2000111.9L565 I636 V637 K643 A644 V653 L656 V657 L660L565-L640 HydrophobicContact CD1-CB 3.98Å; L565-L640 HydrophobicContact CD2-CB 4.05Å; I636-L640 HydrophobicContact CG2-CD1 4.11Å; I636-L640 HydrophobicContact CG2-CG 4.37Å; I636-L640 WeakPolarHBondContact O-CB 3.49Å; I636-L640 VanDerWaalsContact O-CG 3.3Å; I636-L640 WeakPolarHBondContact O-CG 3.19Å; I636-L640 PolarHBondContact O-N 3.28Å; V637-L640 PolarHBondContact O-N 3.25Å; L640-K643 PolarHBondContact O-N 3.05Å; L640-A644 VanDerWaalsContact O-CB 3.24Å; L640-A644 WeakPolarHBondContact O-CB 3.4Å; L640-A644 PolarHBondContact O-N 3.19Å; L640-V653 HydrophobicContact CD2-CG1 4.05Å; L640-L656 HydrophobicContact CD2-CD2 3.9Å; L640-L656 HydrophobicContact CD2-CG 4.34Å; L640-V657 HydrophobicContact CD2-CG2 4.22Å; L640-L660 HydrophobicContact CD1-CD1 3.54Å
641R93.9Very high91.1Very high44 Ų4466.4 Ų66.417%0.16635%0.348CS..Hα-helixtrans-61.4-49.3175.3-169.1-15668.672.510.2111.3F562 L565 V637 E638 T639 K643 A644 D645F562-R641 HydrophobicContact CD1-CB 3.73Å; F562-R641 HydrophobicContact CD1-CG 3.73Å; F562-R641 HydrophobicContact CE1-CB 3.69Å; F562-R641 HydrophobicContact CE1-CG 3.98Å; L565-R641 HydrophobicContact CD2-CB 4.19Å; V637-R641 PolarHBondContact O-N 3.22Å; E638-R641 WeakPolarHBondContact O-CB 3.49Å; E638-R641 PolarHBondContact O-N 2.64Å; E638-R641 IonicContact OE1-CZ 3.73Å; E638-R641 IonicContact OE1-NE 3.38Å; E638-R641 PolarHBondContact OE1-NE 3.3Å; E638-R641 IonicContact OE1-NH2 2.66Å; E638-R641 PolarHBondContact OE1-NH2 3.34Å; E638-R641 VanDerWaalsContact OE1-NH2 3.11Å; E638-R641 IonicContact OE2-NE 3.85Å; T639-R641 VanDerWaalsContact C-N 3.31Å; T639-R641 PolarHBondContact O-N 3.05Å; R641-K643 VanDerWaalsContact C-N 3.32Å; R641-K643 PolarHBondContact O-N 3.38Å; R641-A644 PolarHBondContact O-N 2.67Å; R641-D645 IonicContact CZ-OD2 3.11Å; R641-D645 IonicContact NH1-OD2 3.48Å; R641-D645 PolarHBondContact NH1-OD2 3.08Å; R641-D645 PolarHBondContact O-N 2.81Å
642Q93Very high90.3Very high104 Ų10469.5 Ų69.549%0.48637%0.374SS..Hα-helixtrans-61.6-40.9178.5-69.2172.515.600112E638 T639 D645 A646E638-Q642 WeakPolarHBondContact O-CG 3.44Å; E638-Q642 PolarHBondContact O-N 3.15Å; E638-Q642 PolarHBondContact OE1-NE2 2.75Å; E638-Q642 VanDerWaalsContact OE1-NE2 3.09Å; T639-Q642 PolarHBondContact O-N 2.86Å; Q642-D645 PolarHBondContact O-N 3.38Å; Q642-A646 PolarHBondContact O-N 2.97Å; Q642-A646 VanDerWaalsContact O-N 3.08Å
643K89.7Confident89.7Confident105 Ų10569.4 Ų69.446%0.45737%0.373SS..Hα-helixtrans-66.2-42.3176-76.8-74.7-173.5170.30112.3T639 L640 R641 D645 A646 D647 V653T639-K643 HydrophobicContact CG2-CG 4.42Å; T639-K643 WeakPolarHBondContact O-CB 3.43Å; T639-K643 WeakPolarHBondContact O-CG 3.49Å; T639-K643 PolarHBondContact O-N 3.19Å; L640-K643 PolarHBondContact O-N 3.05Å; R641-K643 VanDerWaalsContact C-N 3.32Å; R641-K643 PolarHBondContact O-N 3.38Å; K643-D645 VanDerWaalsContact C-N 3.32Å; K643-D645 PolarHBondContact O-N 3.22Å; K643-A646 PolarHBondContact O-N 3.5Å; K643-D647 PolarHBondContact O-N 3.36Å; K643-V653 HydrophobicContact CB-CG2 3.7Å; K643-V653 HydrophobicContact CD-CG2 4.33Å; K643-V653 HydrophobicContact CG-CG2 4.24Å
644A87.9Confident89.4Confident1 Ų166.6 Ų66.61%0.00836%0.355CS..Hα-helixtrans-64.9-34.517600000112.6L565 L568 L640 R641 K648L565-A644 HydrophobicContact CD1-CB 4.12Å; L568-A644 HydrophobicContact CD2-CB 3.63Å; L640-A644 VanDerWaalsContact O-CB 3.24Å; L640-A644 WeakPolarHBondContact O-CB 3.4Å; L640-A644 PolarHBondContact O-N 3.19Å; R641-A644 PolarHBondContact O-N 2.67Å; A644-K648 WeakPolarHBondContact O-CG 3.19Å
645D86.9Confident88.8Confident90 Ų9068.5 Ų68.548%0.48137%0.367SS..Hα-helixtrans-70.2-33.5174-74.3-11.5000112.4R641 Q642 K643R641-D645 IonicContact CZ-OD2 3.11Å; R641-D645 IonicContact NH1-OD2 3.48Å; R641-D645 PolarHBondContact NH1-OD2 3.08Å; R641-D645 PolarHBondContact O-N 2.81Å; Q642-D645 PolarHBondContact O-N 3.38Å; K643-D645 VanDerWaalsContact C-N 3.32Å; K643-D645 PolarHBondContact O-N 3.22Å
646A90.6Very high88.4Confident86 Ų8667.3 Ų67.371%0.71136%0.355SS*.Hα-helixtrans-74.5-49.8177.900000112.3Q642 K643Q642-A646 PolarHBondContact O-N 2.97Å; Q642-A646 VanDerWaalsContact O-N 3.08Å; K643-A646 PolarHBondContact O-N 3.5Å
647D88.2Confident88.3Confident82 Ų8264.2 Ų64.244%0.43934%0.339SS..  trans-153.4111.4175.2-174.83.4000111.5K643 N649 D650K643-D647 PolarHBondContact O-N 3.36Å; D647-N649 PolarHBondContact O-N 3.39Å; D647-N649 WeakPolarHBondContact OD1-CA 3.31Å; D647-N649 PolarHBondContact OD1-N 3.32Å; D647-D650 HydrophobicContact CB-CB 4.36Å; D647-D650 PolarHBondContact O-N 3.19Å
648K84.9Confident88.2Confident110 Ų11065.1 Ų65.148%0.47834%0.344SS..THydrogen-bonded Turntrans-69.1-16.7177.1-62.8-178.7-177.5-178.90113.2L568 A644 K654L568-K648 HydrophobicContact CD1-CB 4.38Å; L568-K648 HydrophobicContact CD2-CB 4.5Å; A644-K648 WeakPolarHBondContact O-CG 3.19Å; K648-K654 WeakPolarHBondContact O-CE 3.48Å
649N86.8Confident88.1Confident117 Ų11764.2 Ų64.263%0.62634%0.34SS*.THydrogen-bonded Turntrans-101.33.1-177.3-74-44.6000114.3D647 K651 K654D647-N649 PolarHBondContact O-N 3.39Å; D647-N649 WeakPolarHBondContact OD1-CA 3.31Å; D647-N649 PolarHBondContact OD1-N 3.32Å; N649-K651 PolarHBondContact O-N 2.94Å; N649-K651 VanDerWaalsContact O-N 3.12Å; N649-K654 PolarHBondContact OD1-NZ 2.86Å
650D84.1Confident88.1Confident46 Ų4661.7 Ų61.725%0.24632%0.324CS..  trans-57116.3176.2-174.6-20.4000110.7D647 A652 V653 K654D647-D650 HydrophobicContact CB-CB 4.36Å; D647-D650 PolarHBondContact O-N 3.19Å; D650-A652 VanDerWaalsContact C-N 3.31Å; D650-A652 PolarHBondContact O-N 3.08Å; D650-A652 WeakPolarHBondContact OD1-CB 3.35Å; D650-A652 PolarHBondContact OD1-N 3.37Å; D650-V653 HydrophobicContact CB-CB 4.08Å; D650-V653 HydrophobicContact CB-CG2 3.71Å; D650-V653 WeakPolarHBondContact O-CB 3.5Å; D650-V653 PolarHBondContact O-N 3.2Å; D650-K654 PolarHBondContact O-N 3.15Å; D650-K654 VanDerWaalsContact O-N 3.12Å
651K79.2Confident88.3Confident157 Ų15761.8 Ų61.868%0.68332%0.324SS*.Hα-helixtrans-63.2-37.4-178.1-172.2-177.3174.8-167.10111.7N649 V653 K654 D655N649-K651 PolarHBondContact O-N 2.94Å; N649-K651 VanDerWaalsContact O-N 3.12Å; K651-V653 VanDerWaalsContact C-N 3.29Å; K651-V653 PolarHBondContact O-N 3.34Å; K651-K654 PolarHBondContact O-N 3.06Å; K651-D655 PolarHBondContact O-N 3.34Å
652A78.4Confident88.3Confident66 Ų6660.2 Ų60.255%0.54532%0.319SS..Hα-helixtrans-65.7-35.3178.900000111.4D650 L656D650-A652 VanDerWaalsContact C-N 3.31Å; D650-A652 PolarHBondContact O-N 3.08Å; D650-A652 WeakPolarHBondContact OD1-CB 3.35Å; D650-A652 PolarHBondContact OD1-N 3.37Å; A652-L656 WeakPolarHBondContact O-CB 3.47Å; A652-L656 PolarHBondContact O-N 2.97Å
653V83.5Confident88.3Confident8 Ų858.5 Ų58.55%0.04832%0.316CS..Hα-helixtrans-66.5-43.9174.2176.90000110.7L640 K643 D650 K651 L656 V657L640-V653 HydrophobicContact CD2-CG1 4.05Å; K643-V653 HydrophobicContact CB-CG2 3.7Å; K643-V653 HydrophobicContact CD-CG2 4.33Å; K643-V653 HydrophobicContact CG-CG2 4.24Å; D650-V653 HydrophobicContact CB-CB 4.08Å; D650-V653 HydrophobicContact CB-CG2 3.71Å; D650-V653 WeakPolarHBondContact O-CB 3.5Å; D650-V653 PolarHBondContact O-N 3.2Å; K651-V653 VanDerWaalsContact C-N 3.29Å; K651-V653 PolarHBondContact O-N 3.34Å; V653-L656 PolarHBondContact O-N 2.93Å; V653-V657 WeakPolarHBondContact O-CG2 2.93Å; V653-V657 PolarHBondContact O-N 2.9Å
654K87Confident88.6Confident65 Ų6553.7 Ų53.728%0.28330%0.296SS..Hα-helixtrans-61.4-45177-66.8-179.2178.5173.10111.6I572 K648 N649 D650 K651 L656 V657 V658I572-K654 HydrophobicContact CD1-CB 4.27Å; I572-K654 HydrophobicContact CD1-CG 3.82Å; I572-K654 HydrophobicContact CG1-CB 4.44Å; I572-K654 HydrophobicContact CG1-CG 3.97Å; K648-K654 WeakPolarHBondContact O-CE 3.48Å; N649-K654 PolarHBondContact OD1-NZ 2.86Å; D650-K654 PolarHBondContact O-N 3.15Å; D650-K654 VanDerWaalsContact O-N 3.12Å; K651-K654 PolarHBondContact O-N 3.06Å; K654-L656 PolarHBondContact O-N 2.82Å; K654-V657 PolarHBondContact O-N 2.83Å; K654-V658 WeakPolarHBondContact O-CG2 3.37Å; K654-V658 PolarHBondContact O-N 2.72Å; K654-V658 VanDerWaalsContact O-N 3.1Å
655D84.2Confident88.8Confident76 Ų7654.2 Ų54.241%0.40630%0.298SS..Hα-helixtrans-64.3-39.1177.7-73.2-26.1000112.1K651 V658 L659K651-D655 PolarHBondContact O-N 3.34Å; D655-V658 PolarHBondContact O-N 2.96Å; D655-L659 PolarHBondContact O-N 2.94Å
656L88.1Confident89Confident68 Ų6854.6 Ų54.636%0.35630%0.3SS..Hα-helixtrans-65.9-39175.7-176.960.1000112.2L640 A652 V653 K654 L659 L660L640-L656 HydrophobicContact CD2-CD2 3.9Å; L640-L656 HydrophobicContact CD2-CG 4.34Å; A652-L656 WeakPolarHBondContact O-CB 3.47Å; A652-L656 PolarHBondContact O-N 2.97Å; V653-L656 PolarHBondContact O-N 2.93Å; K654-L656 PolarHBondContact O-N 2.82Å; L656-L659 HydrophobicContact CD1-CD2 4.06Å; L656-L659 PolarHBondContact O-N 2.94Å; L656-L660 HydrophobicContact CD1-CG 4.47Å; L656-L660 HydrophobicContact CG-CD1 4.19Å; L656-L660 WeakPolarHBondContact O-CB 3.35Å; L656-L660 VanDerWaalsContact O-CG 3.32Å; L656-L660 WeakPolarHBondContact O-CG 3.31Å; L656-L660 PolarHBondContact O-N 3.26Å
657V92.7Very high89.1Confident0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-62.2-43174.5167.10000111.1M569 I572 L573 L640 V653 K654 L660 F661M569-V657 HydrophobicContact CB-CG1 4.19Å; M569-V657 HydrophobicContact CE-CG1 4.03Å; M569-V657 HydrophobicContact CE-CG2 4.46Å; M569-V657 HydrophobicContact CG-CG1 3.86Å; M569-V657 HydrophobicContact CG-CG2 3.96Å; I572-V657 HydrophobicContact CB-CG1 4.24Å; I572-V657 HydrophobicContact CD1-CB 4.04Å; I572-V657 HydrophobicContact CD1-CG1 4Å; I572-V657 HydrophobicContact CD1-CG2 4.08Å; I572-V657 HydrophobicContact CG2-CB 4.39Å; I572-V657 HydrophobicContact CG2-CG1 3.95Å; L573-V657 HydrophobicContact CD1-CG1 4.08Å; L573-V657 HydrophobicContact CG-CG1 4.2Å; L640-V657 HydrophobicContact CD2-CG2 4.22Å; V653-V657 WeakPolarHBondContact O-CG2 2.93Å; V653-V657 PolarHBondContact O-N 2.9Å; K654-V657 PolarHBondContact O-N 2.83Å; V657-L660 PolarHBondContact O-N 2.86Å; V657-F661 WeakPolarHBondContact O-CB 3.42Å; V657-F661 PolarHBondContact O-N 3.08Å
658V92.4Very high89.4Confident25 Ų2550.8 Ų50.815%0.15227%0.274CS..Hα-helixtrans-64.7-42.6177.2176.70000111.2I572 L573 K654 D655 F661 E662I572-V658 HydrophobicContact CG2-CG2 3.74Å; L573-V658 HydrophobicContact CD2-CG2 4.28Å; K654-V658 WeakPolarHBondContact O-CG2 3.37Å; K654-V658 PolarHBondContact O-N 2.72Å; K654-V658 VanDerWaalsContact O-N 3.1Å; D655-V658 PolarHBondContact O-N 2.96Å; V658-F661 WeakPolarHBondContact O-CB 3.21Å; V658-F661 PolarHBondContact O-N 3.14Å; V658-E662 HydrophobicContact CG1-CG 4.49Å; V658-E662 WeakPolarHBondContact CG1-OE1 3.45Å; V658-E662 WeakPolarHBondContact O-CG 3.16Å; V658-E662 PolarHBondContact O-N 3.43Å
659L91.9Very high89.6Confident19 Ų1947 Ų4710%0.09927%0.266CS..Hα-helixtrans-59.9-49.1174.9176.678.1000111.9D655 L656 F661 E662 T663 I682 M685D655-L659 PolarHBondContact O-N 2.94Å; L656-L659 HydrophobicContact CD1-CD2 4.06Å; L656-L659 PolarHBondContact O-N 2.94Å; L659-F661 VanDerWaalsContact C-N 3.25Å; L659-F661 PolarHBondContact O-N 3.14Å; L659-E662 PolarHBondContact O-N 2.86Å; L659-T663 WeakPolarHBondContact O-CB 3.25Å; L659-T663 PolarHBondContact O-N 2.81Å; L659-T663 PolarHBondContact O-OG1 3.38Å; L659-I682 HydrophobicContact CD1-CG1 4.38Å; L659-M685 HydrophobicContact CD1-CE 3.5Å; L659-M685 HydrophobicContact CD1-SD 4.49Å; L659-M685 HydrophobicContact CD2-CE 3.34Å; L659-M685 HydrophobicContact CD2-SD 3.41Å; L659-M685 WeakPolarHBondContact CD2-SD 3.15Å; L659-M685 HydrophobicContact CG-CE 4Å; L659-M685 HydrophobicContact CG-SD 4.47Å
660L94.6Very high89.8Confident21 Ų2141.8 Ų41.811%0.1124%0.238CC..Hα-helixtrans-59.2-41.3178.8-77167.8000110.9P590 I636 L640 L656 V657 A664P590-L660 HydrophobicContact CG-CD2 4.1Å; I636-L660 HydrophobicContact CG2-CD1 3.89Å; I636-L660 HydrophobicContact CG2-CD2 4.39Å; L640-L660 HydrophobicContact CD1-CD1 3.54Å; L656-L660 HydrophobicContact CD1-CG 4.47Å; L656-L660 HydrophobicContact CG-CD1 4.19Å; L656-L660 WeakPolarHBondContact O-CB 3.35Å; L656-L660 VanDerWaalsContact O-CG 3.32Å; L656-L660 WeakPolarHBondContact O-CG 3.31Å; L656-L660 PolarHBondContact O-N 3.26Å; V657-L660 PolarHBondContact O-N 2.86Å; L660-A664 WeakPolarHBondContact O-CB 3.44Å; L660-A664 PolarHBondContact O-N 3.07Å
661F95.4Very high90Very high7 Ų743.4 Ų43.43%0.03125%0.253CS..Hα-helixtrans-60.8-51.4175.1166.2-98.2000112.4L573 K576 V577 I593 V657 V658 L659 T663 A664 L665L573-F661 HydrophobicContact CD1-CB 3.72Å; L573-F661 HydrophobicContact CD1-CD2 3.92Å; L573-F661 HydrophobicContact CD1-CG 3.9Å; L573-F661 HydrophobicContact CD2-CB 3.82Å; L573-F661 HydrophobicContact CD2-CD1 3.98Å; L573-F661 HydrophobicContact CD2-CD2 4.43Å; L573-F661 HydrophobicContact CD2-CG 3.78Å; L573-F661 HydrophobicContact CG-CB 4.45Å; L573-F661 HydrophobicContact CG-CG 4.47Å; K576-F661 HydrophobicContact CB-CE1 3.94Å; K576-F661 HydrophobicContact CB-CE2 4.34Å; K576-F661 HydrophobicContact CB-CZ 3.75Å; K576-F661 HydrophobicContact CD-CD1 4Å; K576-F661 HydrophobicContact CD-CE1 3.48Å; K576-F661 VanDerWaalsContact CD-CE1 3.48Å; K576-F661 HydrophobicContact CD-CZ 4.16Å; K576-F661 HydrophobicContact CG-CE1 4.34Å; V577-F661 HydrophobicContact CG1-CD2 3.73Å; V577-F661 HydrophobicContact CG1-CE2 3.28Å; V577-F661 HydrophobicContact CG1-CZ 4.22Å; I593-F661 HydrophobicContact CD1-CD2 3.63Å; I593-F661 HydrophobicContact CD1-CE2 3.58Å; I593-F661 HydrophobicContact CG1-CE2 4.35Å; V657-F661 WeakPolarHBondContact O-CB 3.42Å; V657-F661 PolarHBondContact O-N 3.08Å; V658-F661 WeakPolarHBondContact O-CB 3.21Å; V658-F661 PolarHBondContact O-N 3.14Å; L659-F661 VanDerWaalsContact C-N 3.25Å; L659-F661 PolarHBondContact O-N 3.14Å; F661-T663 VanDerWaalsContact C-N 3.32Å; F661-T663 PolarHBondContact O-N 3.12Å; F661-A664 PolarHBondContact O-N 3.29Å; F661-L665 HydrophobicContact CE1-CD2 4.15Å; F661-L665 HydrophobicContact CZ-CD1 4.27Å; F661-L665 HydrophobicContact CZ-CD2 4.05Å; F661-L665 WeakPolarHBondContact O-CB 3.39Å; F661-L665 PolarHBondContact O-N 2.66Å
662E94.1Very high90.4Very high12 Ų1237.1 Ų37.16%0.05623%0.227CC..Hα-helixtrans-66.3-36.3-178-69.5174.1-167.400111.9K576 V658 L659 L665 L666 L672 H678 R681K576-E662 IonicContact NZ-OE1 2.76Å; V658-E662 HydrophobicContact CG1-CG 4.49Å; V658-E662 WeakPolarHBondContact CG1-OE1 3.45Å; V658-E662 WeakPolarHBondContact O-CG 3.16Å; V658-E662 PolarHBondContact O-N 3.43Å; L659-E662 PolarHBondContact O-N 2.86Å; E662-L665 WeakPolarHBondContact O-CB 3.45Å; E662-L665 PolarHBondContact O-N 2.96Å; E662-L666 PolarHBondContact O-N 2.99Å; E662-L672 HydrophobicContact CB-CD2 4.23Å; E662-H678 WeakPolarHBondContact CB-ND1 3.43Å; E662-H678 WeakPolarHBondContact OE2-CA 3.26Å; E662-H678 WeakPolarHBondContact OE2-CB 3.49Å; E662-H678 IonicContact OE2-CE1 2.78Å; E662-H678 IonicContact OE2-CG 3.78Å; E662-H678 IonicContact OE2-ND1 2.63Å; E662-H678 PolarHBondContact OE2-ND1 2.97Å; E662-R681 IonicContact OE1-CZ 2.79Å; E662-R681 IonicContact OE1-NH1 2.92Å; E662-R681 PolarHBondContact OE1-NH1 3Å; E662-R681 VanDerWaalsContact OE1-NH1 3.13Å; E662-R681 IonicContact OE1-NH2 2.76Å; E662-R681 PolarHBondContact OE1-NH2 3.48Å; E662-R681 IonicContact OE2-CZ 2.67Å; E662-R681 IonicContact OE2-NH1 2.74Å; E662-R681 PolarHBondContact OE2-NH1 2.79Å; E662-R681 IonicContact OE2-NH2 2.75Å
663T94Very high90.8Very high68 Ų6841.7 Ų41.742%0.41724%0.237SC..Hα-helixtrans-66-43.2174.3-50.10000110.8L659 F661 L665 L666 S667L659-T663 WeakPolarHBondContact O-CB 3.25Å; L659-T663 PolarHBondContact O-N 2.81Å; L659-T663 PolarHBondContact O-OG1 3.38Å; F661-T663 VanDerWaalsContact C-N 3.32Å; F661-T663 PolarHBondContact O-N 3.12Å; T663-L665 VanDerWaalsContact C-N 3.34Å; T663-L665 PolarHBondContact O-N 3.18Å; T663-L666 PolarHBondContact O-N 3.06Å; T663-S667 WeakPolarHBondContact O-CB 3.24Å; T663-S667 PolarHBondContact O-N 3.43Å; T663-S667 PolarHBondContact O-OG 3.08Å
664A94.8Very high91.1Very high4 Ų444.9 Ų44.93%0.03325%0.254CS..Hα-helixtrans-62.8-41.5174.900000111.4I593 L628 L660 F661 L666 S667 S668I593-A664 HydrophobicContact CD1-CB 4.43Å; I593-A664 HydrophobicContact CG1-CB 4.05Å; L628-A664 HydrophobicContact CD1-CB 4.46Å; L660-A664 WeakPolarHBondContact O-CB 3.44Å; L660-A664 PolarHBondContact O-N 3.07Å; F661-A664 PolarHBondContact O-N 3.29Å; A664-L666 PolarHBondContact O-N 3.05Å; A664-S667 WeakPolarHBondContact CA-OG 2.87Å; A664-S667 PolarHBondContact O-N 3.04Å; A664-S667 PolarHBondContact O-OG 3.24Å; A664-S668 VanDerWaalsContact O-CB 3.3Å; A664-S668 WeakPolarHBondContact O-CB 3.46Å; A664-S668 PolarHBondContact O-N 2.62Å; A664-S668 PolarHBondContact O-OG 3.06Å; A664-S668 VanDerWaalsContact O-OG 3.12Å
665L93.4Very high91.4Very high12 Ų1245.7 Ų45.76%0.06327%0.265CS..Hα-helixtrans-57.4-48.3177.1-168.667.9000111I593 K626 F661 E662 T663 S668 G669 F670 L672I593-L665 HydrophobicContact CB-CD1 4.46Å; I593-L665 HydrophobicContact CG1-CB 4.21Å; I593-L665 HydrophobicContact CG1-CD1 4.09Å; I593-L665 HydrophobicContact CG2-CD1 4.15Å; K626-L665 HydrophobicContact CD-CD1 4.06Å; F661-L665 HydrophobicContact CE1-CD2 4.15Å; F661-L665 HydrophobicContact CZ-CD1 4.27Å; F661-L665 HydrophobicContact CZ-CD2 4.05Å; F661-L665 WeakPolarHBondContact O-CB 3.39Å; F661-L665 PolarHBondContact O-N 2.66Å; E662-L665 WeakPolarHBondContact O-CB 3.45Å; E662-L665 PolarHBondContact O-N 2.96Å; T663-L665 VanDerWaalsContact C-N 3.34Å; T663-L665 PolarHBondContact O-N 3.18Å; L665-S668 PolarHBondContact O-N 3.25Å; L665-G669 PolarHBondContact O-N 3.09Å; L665-F670 HydrophobicContact CD1-CB 3.48Å; L665-F670 VanDerWaalsContact CD1-CB 3.48Å; L665-F670 HydrophobicContact CD1-CD2 3.74Å; L665-F670 HydrophobicContact CD1-CG 3.71Å; L665-F670 HydrophobicContact CG-CB 3.65Å; L665-F670 HydrophobicContact CG-CG 4.41Å; L665-F670 WeakPolarHBondContact O-CB 3.32Å; L665-F670 PolarHBondContact O-N 2.9Å; L665-L672 HydrophobicContact CD2-CD2 4.23Å
666L91.8Very high91.7Very high98 Ų9847.2 Ų47.251%0.51327%0.27SS..Hα-helixtrans-62.8-48.5175.7-177.664.7000111.8E662 T663 A664 S668 G669E662-L666 PolarHBondContact O-N 2.99Å; T663-L666 PolarHBondContact O-N 3.06Å; A664-L666 PolarHBondContact O-N 3.05Å; L666-S668 PolarHBondContact O-N 2.74Å; L666-G669 PolarHBondContact O-N 3.17Å
667S92.8Very high91.8Very high72 Ų7246.9 Ų46.950%0.50327%0.271SS..Hα-helixtrans-63.3-26-179.874.40000113.6T663 A664 G669T663-S667 WeakPolarHBondContact O-CB 3.24Å; T663-S667 PolarHBondContact O-N 3.43Å; T663-S667 PolarHBondContact O-OG 3.08Å; A664-S667 WeakPolarHBondContact CA-OG 2.87Å; A664-S667 PolarHBondContact O-N 3.04Å; A664-S667 PolarHBondContact O-OG 3.24Å; S667-G669 VanDerWaalsContact C-N 3.3Å
668S93.5Very high91.8Very high16 Ų1647.8 Ų47.811%0.11228%0.275CS..THydrogen-bonded Turntrans-86.54175.2-67.40000113.3I593 A602 A664 L665 L666I593-S668 PolarHBondContact N-OG 2.74Å; I593-S668 WeakPolarHBondContact O-CB 3.49Å; I593-S668 PolarHBondContact O-OG 3.17Å; I593-S668 VanDerWaalsContact O-OG 3.08Å; A602-S668 VanDerWaalsContact CB-O 3.28Å; A602-S668 WeakPolarHBondContact CB-O 3.45Å; A664-S668 VanDerWaalsContact O-CB 3.3Å; A664-S668 WeakPolarHBondContact O-CB 3.46Å; A664-S668 PolarHBondContact O-N 2.62Å; A664-S668 PolarHBondContact O-OG 3.06Å; A664-S668 VanDerWaalsContact O-OG 3.12Å; L665-S668 PolarHBondContact O-N 3.25Å; L666-S668 PolarHBondContact O-N 2.74Å
669G89.9Confident91.7Very high30 Ų3047.7 Ų47.731%0.30928%0.276SS..THydrogen-bonded Turntrans83.216.3173.800000115.1L665 L666 S667L665-G669 PolarHBondContact O-N 3.09Å; L666-G669 PolarHBondContact O-N 3.17Å; S667-G669 VanDerWaalsContact C-N 3.3Å
670F90.6Very high91.5Very high8 Ų849.9 Ų49.94%0.03529%0.288CS..PPolyproline II helixtrans-89.8148.8175.2-69.7-82000111.7I593 T595 A602 K626 L665I593-F670 HydrophobicContact CB-CD2 4.27Å; I593-F670 HydrophobicContact CB-CE2 4.02Å; I593-F670 HydrophobicContact CG2-CD2 3.98Å; I593-F670 HydrophobicContact CG2-CE2 3.46Å; I593-F670 VanDerWaalsContact CG2-CE2 3.46Å; I593-F670 HydrophobicContact CG2-CZ 4.16Å; T595-F670 HydrophobicContact CG2-CE1 4.18Å; T595-F670 HydrophobicContact CG2-CE2 4.3Å; T595-F670 HydrophobicContact CG2-CZ 3.45Å; T595-F670 VanDerWaalsContact CG2-CZ 3.45Å; A602-F670 HydrophobicContact CB-CD1 3.72Å; A602-F670 HydrophobicContact CB-CD2 3.79Å; A602-F670 HydrophobicContact CB-CE1 3.65Å; A602-F670 HydrophobicContact CB-CE2 3.73Å; A602-F670 HydrophobicContact CB-CG 3.82Å; A602-F670 HydrophobicContact CB-CZ 3.71Å; K626-F670 HydrophobicContact CD-CD1 4.46Å; K626-F670 HydrophobicContact CD-CE1 4.23Å; K626-F670 HydrophobicContact CD-CZ 4.37Å; K626-F670 HydrophobicContact CG-CE1 4.21Å; K626-F670 HydrophobicContact CG-CZ 4.03Å; L665-F670 HydrophobicContact CD1-CB 3.48Å; L665-F670 VanDerWaalsContact CD1-CB 3.48Å; L665-F670 HydrophobicContact CD1-CD2 3.74Å; L665-F670 HydrophobicContact CD1-CG 3.71Å; L665-F670 HydrophobicContact CG-CB 3.65Å; L665-F670 HydrophobicContact CG-CG 4.41Å; L665-F670 WeakPolarHBondContact O-CB 3.32Å; L665-F670 PolarHBondContact O-N 2.9Å
671S87.8Confident91.1Very high80 Ų8050.9 Ų50.956%0.55929%0.29SS*.PPolyproline II helixtrans-68.1136.9169.8-171.90000110.5
672L88.6Confident90.8Very high25 Ų2553.3 Ų53.313%0.13130%0.303CS..PPolyproline II helixtrans-68.5143165.6-63175.4000109.4E662 L665 P675 H678E662-L672 HydrophobicContact CB-CD2 4.23Å; L665-L672 HydrophobicContact CD2-CD2 4.23Å; L672-P675 HydrophobicContact CB-CG 4.2Å; L672-P675 HydrophobicContact CD1-CB 4.49Å; L672-H678 HydrophobicContact CD1-CB 3.96Å
673E85.9Confident90.4Very high162 Ų16259.1 Ų59.176%0.75733%0.325SS*.SBendtrans-68-41.9173.4-67.4175.5164.300110.9
674D90.1Very high89.8Confident75 Ų7562.3 Ų62.340%0.40133%0.329SS..  trans-141.195.9177.1179.91.4000110Q676 T677 H678D674-Q676 PolarHBondContact O-N 3.06Å; D674-Q676 WeakPolarHBondContact OD1-CA 3.36Å; D674-Q676 VanDerWaalsContact OD1-CB 3.26Å; D674-Q676 WeakPolarHBondContact OD1-CB 3.49Å; D674-Q676 PolarHBondContact OD1-N 3.15Å; D674-T677 PolarHBondContact O-N 3.04Å; D674-T677 PolarHBondContact OD1-N 3.21Å; D674-T677 VanDerWaalsContact OD2-CB 3.27Å; D674-T677 WeakPolarHBondContact OD2-CB 3.3Å; D674-T677 PolarHBondContact OD2-OG1 3.21Å; D674-H678 PolarHBondContact O-N 2.84Å
675P91.9Very high89.1Confident81 Ų8165.8 Ų65.853%0.52635%0.346SS..Hα-helixtrans-58.2-29.5174.8-24.333.6000113.8L672 H678 S679L672-P675 HydrophobicContact CB-CG 4.2Å; L672-P675 HydrophobicContact CD1-CB 4.49Å; P675-H678 PolarHBondContact O-N 3.06Å; P675-S679 PolarHBondContact O-N 2.97Å
676Q91.7Very high88.7Confident109 Ų10969.3 Ų69.351%0.50936%0.364SS..Hα-helixtrans-69.1-47.3-178.4-172.662.948.800110.5D674 H678 S679 N680D674-Q676 PolarHBondContact O-N 3.06Å; D674-Q676 WeakPolarHBondContact OD1-CA 3.36Å; D674-Q676 VanDerWaalsContact OD1-CB 3.26Å; D674-Q676 WeakPolarHBondContact OD1-CB 3.49Å; D674-Q676 PolarHBondContact OD1-N 3.15Å; Q676-H678 VanDerWaalsContact C-N 3.27Å; Q676-H678 PolarHBondContact O-N 3.49Å; Q676-S679 PolarHBondContact NE2-OG 3.39Å; Q676-S679 PolarHBondContact O-N 3.33Å; Q676-S679 PolarHBondContact O-OG 2.64Å; Q676-N680 PolarHBondContact NE2-OD1 3.31Å; Q676-N680 WeakPolarHBondContact O-CB 3.31Å; Q676-N680 PolarHBondContact O-N 3.39Å; Q676-N680 PolarHBondContact O-OD1 2.9Å
677T90.3Very high88.3Confident61 Ų6168 Ų6837%0.37435%0.354SS..Hα-helixtrans-60.7-37.3176.7-69.10000112.1D674 R681D674-T677 PolarHBondContact O-N 3.04Å; D674-T677 PolarHBondContact OD1-N 3.21Å; D674-T677 VanDerWaalsContact OD2-CB 3.27Å; D674-T677 WeakPolarHBondContact OD2-CB 3.3Å; D674-T677 PolarHBondContact OD2-OG1 3.21Å; T677-R681 PolarHBondContact O-N 3.33Å
678H91.4Very high87.7Confident18 Ų1871 Ų718%0.08336%0.364CS..Hα-helixtrans-61.4-50.5173.7-176.667.4000111.7E662 L672 D674 P675 Q676 N680 R681 I682E662-H678 WeakPolarHBondContact CB-ND1 3.43Å; E662-H678 WeakPolarHBondContact OE2-CA 3.26Å; E662-H678 WeakPolarHBondContact OE2-CB 3.49Å; E662-H678 IonicContact OE2-CE1 2.78Å; E662-H678 IonicContact OE2-CG 3.78Å; E662-H678 IonicContact OE2-ND1 2.63Å; E662-H678 PolarHBondContact OE2-ND1 2.97Å; L672-H678 HydrophobicContact CD1-CB 3.96Å; D674-H678 PolarHBondContact O-N 2.84Å; P675-H678 PolarHBondContact O-N 3.06Å; Q676-H678 VanDerWaalsContact C-N 3.27Å; Q676-H678 PolarHBondContact O-N 3.49Å; H678-N680 VanDerWaalsContact C-N 3.35Å; H678-N680 PolarHBondContact O-N 3.29Å; H678-R681 PolarHBondContact O-N 3.36Å; H678-I682 PolarHBondContact O-N 2.7Å
679S90.9Very high87.2Confident24 Ų2473.5 Ų73.517%0.16839%0.392CS..Hα-helixtrans-62.4-39.6179.273.90000112.6P675 Q676 R681 I682 Y683P675-S679 PolarHBondContact O-N 2.97Å; Q676-S679 PolarHBondContact NE2-OG 3.39Å; Q676-S679 PolarHBondContact O-N 3.33Å; Q676-S679 PolarHBondContact O-OG 2.64Å; S679-R681 VanDerWaalsContact C-N 3.26Å; S679-R681 PolarHBondContact O-N 2.98Å; S679-I682 WeakPolarHBondContact O-CA 3.37Å; S679-I682 WeakPolarHBondContact O-CB 3.5Å; S679-I682 PolarHBondContact O-N 3.33Å; S679-Y683 VanDerWaalsContact O-CD2 3.27Å; S679-Y683 WeakPolarHBondContact O-CD2 3.44Å; S679-Y683 VanDerWaalsContact O-CG 3.31Å; S679-Y683 PolarHBondContact O-N 3.13Å
680N87.9Confident87.1Confident65 Ų6578 Ų7835%0.34841%0.408SS..Hα-helixtrans-59.9-37.9176.5-71.3-13.1000111.5Q676 H678 Y683 R684Q676-N680 PolarHBondContact NE2-OD1 3.31Å; Q676-N680 WeakPolarHBondContact O-CB 3.31Å; Q676-N680 PolarHBondContact O-N 3.39Å; Q676-N680 PolarHBondContact O-OD1 2.9Å; H678-N680 VanDerWaalsContact C-N 3.35Å; H678-N680 PolarHBondContact O-N 3.29Å; N680-Y683 PolarHBondContact O-N 2.83Å; N680-R684 WeakPolarHBondContact O-CG 3.47Å; N680-R684 PolarHBondContact O-N 3.04Å
681R86Confident86.9Confident41 Ų4180.7 Ų80.716%0.15544%0.439CS..Hα-helixtrans-68.3-37.5175.8-161.1175.7-55.7100.3-7112E662 T677 H678 S679 R684 M685E662-R681 IonicContact OE1-CZ 2.79Å; E662-R681 IonicContact OE1-NH1 2.92Å; E662-R681 PolarHBondContact OE1-NH1 3Å; E662-R681 VanDerWaalsContact OE1-NH1 3.13Å; E662-R681 IonicContact OE1-NH2 2.76Å; E662-R681 PolarHBondContact OE1-NH2 3.48Å; E662-R681 IonicContact OE2-CZ 2.67Å; E662-R681 IonicContact OE2-NH1 2.74Å; E662-R681 PolarHBondContact OE2-NH1 2.79Å; E662-R681 IonicContact OE2-NH2 2.75Å; T677-R681 PolarHBondContact O-N 3.33Å; H678-R681 PolarHBondContact O-N 3.36Å; S679-R681 VanDerWaalsContact C-N 3.26Å; S679-R681 PolarHBondContact O-N 2.98Å; R681-R684 PolarHBondContact O-N 3.22Å; R681-M685 WeakPolarHBondContact O-CG 3.31Å; R681-M685 PolarHBondContact O-N 3.45Å; R681-M685 VanDerWaalsContact O-N 3.11Å
682I88.6Confident86.6Confident59 Ų5980.4 Ų80.430%0.30343%0.43SS..Hα-helixtrans-62.4-48172.3-64.7170.7000110.2L659 H678 S679 R684 M685 I686L659-I682 HydrophobicContact CD1-CG1 4.38Å; H678-I682 PolarHBondContact O-N 2.7Å; S679-I682 WeakPolarHBondContact O-CA 3.37Å; S679-I682 WeakPolarHBondContact O-CB 3.5Å; S679-I682 PolarHBondContact O-N 3.33Å; I682-R684 VanDerWaalsContact C-N 3.29Å; I682-R684 PolarHBondContact O-N 2.79Å; I682-M685 HydrophobicContact CG1-CE 4.31Å; I682-M685 PolarHBondContact O-N 2.89Å; I682-M685 VanDerWaalsContact O-N 3.12Å; I682-I686 HydrophobicContact CG2-CD1 3.69Å; I682-I686 HydrophobicContact CG2-CG1 4.27Å; I682-I686 WeakPolarHBondContact O-CG1 3.41Å; I682-I686 PolarHBondContact O-N 3.44Å
683Y87.1Confident85.6Confident133 Ų13384 Ų8452%0.52245%0.45SS..Hα-helixtrans-58.7-40.2177.7-60.6-37.3000112.3S679 N680 I686 K687S679-Y683 VanDerWaalsContact O-CD2 3.27Å; S679-Y683 WeakPolarHBondContact O-CD2 3.44Å; S679-Y683 VanDerWaalsContact O-CG 3.31Å; S679-Y683 PolarHBondContact O-N 3.13Å; N680-Y683 PolarHBondContact O-N 2.83Å; Y683-I686 PolarHBondContact O-N 2.81Å; Y683-K687 WeakPolarHBondContact O-CB 3.12Å; Y683-K687 VanDerWaalsContact O-CG 3.31Å; Y683-K687 WeakPolarHBondContact O-CG 3.45Å; Y683-K687 PolarHBondContact O-N 3.02Å
684R80.7Confident84.3Confident136 Ų13681.4 Ų81.451%0.51344%0.438SS..Hα-helixtrans-60.6-44.7173.8-75.7-176.2172.9150.65.6113.1N680 R681 I682 K687 L688 E694N680-R684 WeakPolarHBondContact O-CG 3.47Å; N680-R684 PolarHBondContact O-N 3.04Å; R681-R684 PolarHBondContact O-N 3.22Å; I682-R684 VanDerWaalsContact C-N 3.29Å; I682-R684 PolarHBondContact O-N 2.79Å; R684-K687 WeakPolarHBondContact O-CB 3.1Å; R684-K687 PolarHBondContact O-N 3.27Å; R684-L688 WeakPolarHBondContact O-CG 3.47Å; R684-L688 PolarHBondContact O-N 3.35Å; R684-E694 WeakPolarHBondContact CD-OE1 3.44Å; R684-E694 VanDerWaalsContact CG-OE1 3.23Å; R684-E694 WeakPolarHBondContact CG-OE1 3.25Å; R684-E694 IonicContact CZ-OE1 2.86Å; R684-E694 IonicContact NE-OE1 2.65Å; R684-E694 PolarHBondContact NE-OE1 3.12Å
685M80.6Confident82.4Confident76 Ų7684.6 Ų84.637%0.37446%0.455SS..Hα-helixtrans-67.5-36.8177.3-69.7-171.8-62.500112.7L659 R681 I682 L688 G689L659-M685 HydrophobicContact CD1-CE 3.5Å; L659-M685 HydrophobicContact CD1-SD 4.49Å; L659-M685 HydrophobicContact CD2-CE 3.34Å; L659-M685 HydrophobicContact CD2-SD 3.41Å; L659-M685 WeakPolarHBondContact CD2-SD 3.15Å; L659-M685 HydrophobicContact CG-CE 4Å; L659-M685 HydrophobicContact CG-SD 4.47Å; R681-M685 WeakPolarHBondContact O-CG 3.31Å; R681-M685 PolarHBondContact O-N 3.45Å; R681-M685 VanDerWaalsContact O-N 3.11Å; I682-M685 HydrophobicContact CG1-CE 4.31Å; I682-M685 PolarHBondContact O-N 2.89Å; I682-M685 VanDerWaalsContact O-N 3.12Å; M685-L688 PolarHBondContact O-N 3.48Å; M685-G689 PolarHBondContact O-N 2.96Å
686I83.9Confident80.2Confident86 Ų8688.1 Ų88.144%0.44146%0.464SS..Hα-helixtrans-63.5-45.9174.2-68.6170.3000109.6I682 Y683 L688 G689 L690I682-I686 HydrophobicContact CG2-CD1 3.69Å; I682-I686 HydrophobicContact CG2-CG1 4.27Å; I682-I686 WeakPolarHBondContact O-CG1 3.41Å; I682-I686 PolarHBondContact O-N 3.44Å; Y683-I686 PolarHBondContact O-N 2.81Å; I686-L688 PolarHBondContact O-N 3.32Å; I686-G689 PolarHBondContact O-N 3.33Å; I686-L690 HydrophobicContact CG2-CD1 3.64Å; I686-L690 HydrophobicContact CG2-CG 4.21Å; I686-L690 WeakPolarHBondContact O-CB 3.49Å; I686-L690 VanDerWaalsContact O-CG 3.28Å; I686-L690 WeakPolarHBondContact O-CG 3.42Å; I686-L690 PolarHBondContact O-N 3.23Å
687K83.6Confident78.1Confident70 Ų7088.1 Ų88.130%0.30447%0.471SS..Hα-helixtrans-55.4-51174.6-76.9-178.8179.3-169.20111.4Y683 R684 G689 L690 G691 I692Y683-K687 WeakPolarHBondContact O-CB 3.12Å; Y683-K687 VanDerWaalsContact O-CG 3.31Å; Y683-K687 WeakPolarHBondContact O-CG 3.45Å; Y683-K687 PolarHBondContact O-N 3.02Å; R684-K687 WeakPolarHBondContact O-CB 3.1Å; R684-K687 PolarHBondContact O-N 3.27Å; K687-G689 PolarHBondContact O-N 2.88Å; K687-L690 CarbonylContact O-C 3.59Å; K687-L690 PolarHBondContact O-N 2.95Å; K687-G691 PolarHBondContact O-N 3.26Å; K687-I692 CarbonylContact C-O 3.59Å; K687-I692 HydrophobicContact CB-CB 4Å; K687-I692 HydrophobicContact CB-CG2 4.44Å; K687-I692 HydrophobicContact CD-CG2 4.41Å; K687-I692 HydrophobicContact CG-CB 4.11Å; K687-I692 HydrophobicContact CG-CD1 4.5Å; K687-I692 HydrophobicContact CG-CG2 4.11Å; K687-I692 PolarHBondContact O-N 3.35Å
688L80.4Confident75.9Confident136 Ų13691.3 Ų91.371%0.71249%0.491SS*.Hα-helixtrans-58.6-43.6176.2-74166.5000112.8R684 M685 I686 L690 G691R684-L688 WeakPolarHBondContact O-CG 3.47Å; R684-L688 PolarHBondContact O-N 3.35Å; M685-L688 PolarHBondContact O-N 3.48Å; I686-L688 PolarHBondContact O-N 3.32Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-L690 PolarHBondContact O-N 3.04Å; L688-G691 PolarHBondContact O-N 3.4Å
689G83.3Confident73.4Confident69 Ų6994.9 Ų94.971%0.71152%0.524SS*.Hα-helixtrans-68.9-27.4179.100000113.9M685 I686 K687M685-G689 PolarHBondContact O-N 2.96Å; I686-G689 PolarHBondContact O-N 3.33Å; K687-G689 PolarHBondContact O-N 2.88Å
690L87.8Confident70.9Confident123 Ų123102.2 Ų102.264%0.64456%0.555SS**Hα-helixtrans-92.6-1.3175.6-64178.9000113.2I686 K687 L688 I692I686-L690 HydrophobicContact CG2-CD1 3.64Å; I686-L690 HydrophobicContact CG2-CG 4.21Å; I686-L690 WeakPolarHBondContact O-CB 3.49Å; I686-L690 VanDerWaalsContact O-CG 3.28Å; I686-L690 WeakPolarHBondContact O-CG 3.42Å; I686-L690 PolarHBondContact O-N 3.23Å; K687-L690 CarbonylContact O-C 3.59Å; K687-L690 PolarHBondContact O-N 2.95Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-L690 PolarHBondContact O-N 3.04Å; L690-I692 VanDerWaalsContact C-N 3.34Å; L690-I692 HydrophobicContact CB-CD1 4.01Å; L690-I692 HydrophobicContact CB-CG1 4.07Å; L690-I692 HydrophobicContact CD1-CD1 4.21Å
691G85.5Confident68.3Low66 Ų66107.8 Ų107.868%0.6858%0.579SS**THydrogen-bonded Turntrans70.925-177.800000114.5K687 L688K687-G691 PolarHBondContact O-N 3.26Å; L688-G691 PolarHBondContact O-N 3.4Å
692I83.3Confident66Low74 Ų74111.5 Ų111.538%0.37961%0.608SS.*  trans-88.2113175.9-55.9170.2000107.8K687 L690K687-I692 CarbonylContact C-O 3.59Å; K687-I692 HydrophobicContact CB-CB 4Å; K687-I692 HydrophobicContact CB-CG2 4.44Å; K687-I692 HydrophobicContact CD-CG2 4.41Å; K687-I692 HydrophobicContact CG-CB 4.11Å; K687-I692 HydrophobicContact CG-CD1 4.5Å; K687-I692 HydrophobicContact CG-CG2 4.11Å; K687-I692 PolarHBondContact O-N 3.35Å; L690-I692 VanDerWaalsContact C-N 3.34Å; L690-I692 HydrophobicContact CB-CD1 4.01Å; L690-I692 HydrophobicContact CB-CG1 4.07Å; L690-I692 HydrophobicContact CD1-CD1 4.21Å
693D67.4Low63.8Low101 Ų101115.7 Ų115.754%0.5464%0.637SS.*  trans-75.6141-179-133.6-25.3000111.1D695 E696D693-D695 PolarHBondContact O-N 3.22Å; D693-E696 PolarHBondContact O-N 2.84Å
694E57.5Low61.2Low107 Ų107113.5 Ų113.550%0.565%0.646SS.*G310 helixtrans-65.5-20.7177.9-80.4-162.3135.100112.1R684R684-E694 WeakPolarHBondContact CD-OE1 3.44Å; R684-E694 VanDerWaalsContact CG-OE1 3.23Å; R684-E694 WeakPolarHBondContact CG-OE1 3.25Å; R684-E694 IonicContact CZ-OE1 2.86Å; R684-E694 IonicContact NE-OE1 2.65Å; R684-E694 PolarHBondContact NE-OE1 3.12Å
695D51.6Low59.1Low142 Ų142111.6 Ų111.676%0.75966%0.66SS**G310 helixtrans-86.2-5.4-178.3-66.6-29.2000114D693 V697D693-D695 PolarHBondContact O-N 3.22Å; D695-V697 VanDerWaalsContact C-N 3.34Å; D695-V697 PolarHBondContact O-N 3.15Å
696E45.6Very low56.8Low154 Ų154114.8 Ų114.872%0.7268%0.683SS**G310 helixtrans-86.83-177.8-107.5-173.617300114.6D693D693-E696 PolarHBondContact O-N 2.84Å
697V46.7Very low54.3Low110 Ų110119 Ų11967%0.66770%0.701SS**  trans-109.761.6176.8-158.70000111.8D695D695-V697 VanDerWaalsContact C-N 3.34Å; D695-V697 PolarHBondContact O-N 3.15Å
698T44.9Very low52Low127 Ų127122.7 Ų122.778%0.77972%0.724SS**  trans-129.766.6143.449.60000108.4E700T698-E700 PolarHBondContact O-N 2.96Å
699A38.7Very low49.6Very low94 Ų94125.4 Ų125.478%0.77773%0.733SS**  trans-77.4101.7154.400000106.6E701A699-E701 PolarHBondContact O-N 3.32Å
700E37.6Very low47.6Very low178 Ų178130 Ų13083%0.83274%0.74SS**  trans-40.8124.8167.6-64.8173.7147.500110.4T698 P702T698-E700 PolarHBondContact O-N 2.96Å; E700-P702 VanDerWaalsContact O-CD 3.31Å; E700-P702 WeakPolarHBondContact O-CD 3.23Å
701E33.2Very low45.1Very low181 Ų181129.4 Ų129.485%0.84674%0.743SS**  trans-64.8120.8157.9-75.5-172.7157.800107.6A699 T703A699-E701 PolarHBondContact O-N 3.32Å; E701-T703 PolarHBondContact O-N 2.96Å
702P37.7Very low42.9Very low119 Ų119131.5 Ų131.577%0.77375%0.745SS**  trans-73.2115.2167.128.8-27.1000107.4E700 A704E700-P702 VanDerWaalsContact O-CD 3.31Å; E700-P702 WeakPolarHBondContact O-CD 3.23Å; P702-A704 PolarHBondContact O-N 3.11Å
703T41.8Very low40.5Very low148 Ų148136.3 Ų136.391%0.90877%0.77SS**  trans-5995.316439.40000109.5E701E701-T703 PolarHBondContact O-N 2.96Å
704A33.6Very low38.9Very low86 Ų86140.3 Ų140.371%0.71179%0.786SS**  trans-101.8106.1166.600000108.8P702 V706P702-A704 PolarHBondContact O-N 3.11Å; A704-V706 PolarHBondContact O-N 3.35Å
705A36.9Very low37.6Very low96 Ų96138.7 Ų138.779%0.79380%0.797SS**  trans-53.6130.8171.200000111.3
706V31.8Very low36.7Very low144 Ų144140.6 Ų140.687%0.87380%0.802SS**  trans-103.9103.9162.5-176.60000106.6A704A704-V706 PolarHBondContact O-N 3.35Å
707Q31.4Very low36.1Very low174 Ų174141.5 Ų141.581%0.81381%0.806SS**  trans-86.3124.5162.8-83.9179.2-32.300108.5
708D34.5Very low35.4Very low148 Ų148143.4 Ų143.479%0.79181%0.813SS**  trans33.9118.7145.8-60.1-34.3000120.3
709E30.5Very low34.8Very low193 Ų193140.9 Ų140.990%0.90281%0.805SS**  -165.9105.7119.5-106.2179.2-167.100110.5
710I41.8Very low34.9Very low166 Ų166141.9 Ų141.985%0.85181%0.806SS**  trans-111.2130.4161-60.6171.3000106.9
711P34.6Very low34.7Very low110 Ų110144.1 Ų144.171%0.71481%0.807SS**  trans-106.9159.315510.59.9000112
712P39.7Very low35.2Very low109 Ų109144.1 Ų144.171%0.70881%0.809SS**  -108.7161.9-126.138.1-33.4000114.3
713L33.1Very low35.1Very low176 Ų176146.6 Ų146.692%0.92181%0.81SS**  trans-132.3105.8156.8-101.6149.8000108.5
714E33.4Very low35.1Very low185 Ų185148.4 Ų148.486%0.86481%0.808SS**  trans-60.4125.1165.3-64.5173.4150.600108.8
715G31.6Very low35.6Very low72 Ų72150.2 Ų150.274%0.74281%0.81SS**  110.1139.697.600000108.4
716E30.7Very low35.7Very low182 Ų182156.4 Ų156.485%0.8583%0.83SS**  cis-154.4155.17.6-83.5176.9148.100107.9
717E33.3Very low35.9Very low173 Ų173157 Ų15781%0.80883%0.827SS**  trans11.1142.3142.9-53.5178.7161.200118.3
718D32.7Very low36.1Very low151 Ų151156.1 Ų156.181%0.80783%0.828SS**  cis-179.1164.647.7-153.2-6.4000111.7
719A32.6Very low36.2Very low74 Ų74156.6 Ų156.661%0.61283%0.83SS**  trans70.7104.1150.500000122.6
720S40.4Very low36.6Very low114 Ų114154.4 Ų154.480%0.79783%0.826SS**  trans-4.3131.8136.260.70000119.4
721R33.8Very low36.3Very low226 Ų226153.7 Ų153.785%0.85383%0.825SS**  -164.8132.4126.8-139167.6148.4160.6-10.1113.2
722M42.5Very low36.4Very low181 Ų181156.6 Ų156.689%0.89283%0.832SS**  trans-53.6142.8157.4-75.6169.7166.900110.7
723E36.9Very low36.1Very low170 Ų170160 Ų16079%0.79484%0.841SS**  trans-155.6131.9138.6-119.2163.6-156.800110.1
724E41.7Very low36.4Very low187 Ų187158.8 Ų158.887%0.87484%0.835SS**  trans-61.3-171.7161.5-71174.9135.600110.7
725V43.1Very low36.6Very low123 Ų123156.6 Ų156.675%0.74583%0.832SS**  trans105.5119.4166.5-168.60000110.5
726D40Very low37.1Very low226 Ų226164.3 Ų164.3100%1.20984%0.84SS**  cis-147.1012.6-109-29.6000110.2

Retrieved 726 of 726 residues in 219.2 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).