A0A096NNJ2_PAPAN Loading...

Meiotic recombination protein SPO11

Component of a topoisomerase 6 complex specifically required for meiotic recombination. Together with TOP6BL, mediates DNA cleavage that forms the double-strand breaks (DSB) that initiate meiotic recombination. The complex promotes relaxation of negative and positive supercoiled DNA and DNA decatenation through cleavage and ligation cycles. Essential for the phosphorylation of SMC3, HORMAD1 and HORMAD2.

AlphaFold DB , UniProt , Accession A0A096NNJ2, Species PAPAN (Papio anubis, Olive baboon), Gene SPO11, Length 396 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
1M32.4Very low43.9Very low235 Ų235127.9 Ų127.9100%1.15877%0.767SS**  0115.90-78.2177.5179.800107.4
2A32.1Very low47.3Very low107 Ų107121.3 Ų121.388%0.88472%0.72SS**PPolyproline II helixtrans-74.6123.9179.400000109.1
3F33.8Very low50.7Low205 Ų205114.1 Ų114.190%0.89967%0.674SS**PPolyproline II helixtrans-76.1126.1172.4-81.7-88.6000109
4A33.7Very low53.7Low83 Ų83110.4 Ų110.469%0.68665%0.647SS**PPolyproline II helixtrans-62.9147.5172.200000110.7M6A4-M6 PolarHBondContact O-N 3.23Å
5P41.3Very low56.3Low132 Ų132106.3 Ų106.386%0.85762%0.624SS**PPolyproline II helixtrans-71.7117.5176.729.5-30.5000109.2
6M43.2Very low58.6Low139 Ų13999.7 Ų99.769%0.68559%0.585SS**PPolyproline II helixtrans-67.2138.3169.8-69.4-100.6-74.300109.3A4A4-M6 PolarHBondContact O-N 3.23Å
7G36.8Very low60.7Low58 Ų5896.4 Ų96.460%0.59856%0.564SS**  trans-64.2-174.3-177.800000115.4
8P50.4Low62.6Low133 Ų13398.8 Ų98.886%0.86456%0.562SS**THydrogen-bonded Turntrans-73135.4-164.830.7-32.9000112.3
9E46.7Very low64.2Low196 Ų19694.9 Ų94.992%0.91654%0.539SS*.THydrogen-bonded Turntrans75.743.4173.9-56.3-162169.700119.2S11E9-S11 PolarHBondContact O-N 2.76Å
10A55.7Low65.7Low44 Ų4493.6 Ų93.636%0.36453%0.525SS..  trans-66125153.400000110.6F12 E14A10-F12 PolarHBondContact O-N 3.45Å; A10-E14 VanDerWaalsContact CB-OE2 3.25Å; A10-E14 WeakPolarHBondContact CB-OE2 3.33Å
11S76.4Confident67.1Low75 Ų7595.3 Ų95.352%0.52453%0.529SS..  trans-53.7136.6171.5171.20000110.1E9 F13 E14E9-S11 PolarHBondContact O-N 2.76Å; S11-F13 PolarHBondContact O-N 2.85Å; S11-E14 WeakPolarHBondContact O-CB 3.45Å; S11-E14 PolarHBondContact O-N 3.45Å
12F85.6Confident70Confident48 Ų4887.3 Ų87.321%0.21150%0.496CS..THydrogen-bonded Turntrans-49.2-33179.7176.3-90.6000112.7A10 L241 P387 L390 K391A10-F12 PolarHBondContact O-N 3.45Å; F12-L241 HydrophobicContact CE1-CD2 4.06Å; F12-L241 HydrophobicContact CE2-CD2 4.08Å; F12-L241 HydrophobicContact CZ-CD1 4.21Å; F12-L241 HydrophobicContact CZ-CD2 3.62Å; F12-P387 HydrophobicContact CE2-CB 4.18Å; F12-P387 HydrophobicContact CZ-CB 4.48Å; F12-L390 HydrophobicContact CE1-CB 4.47Å; F12-L390 HydrophobicContact CZ-CB 4.05Å; F12-K391 HydrophobicContact CD2-CB 4.05Å; F12-K391 HydrophobicContact CD2-CD 4.12Å; F12-K391 HydrophobicContact CD2-CG 4.19Å; F12-K391 HydrophobicContact CE2-CB 3.84Å; F12-K391 HydrophobicContact CE2-CG 4.47Å
13F90.9Very high72.9Confident28 Ų2883 Ų8312%0.12346%0.458CS..THydrogen-bonded Turntrans-90.2-1.1-176.1-62.6-73.4000114.8S11 V15 L16 D17 K218 F219 S242S11-F13 PolarHBondContact O-N 2.85Å; F13-V15 VanDerWaalsContact C-N 3.33Å; F13-V15 PolarHBondContact O-N 3.21Å; F13-L16 HydrophobicContact CD1-CD1 3.65Å; F13-L16 HydrophobicContact CE1-CD1 4.22Å; F13-L16 CarbonylContact O-C 3.56Å; F13-L16 WeakPolarHBondContact O-CA 3.48Å; F13-L16 WeakPolarHBondContact O-CB 3.37Å; F13-L16 PolarHBondContact O-N 3.24Å; F13-D17 PolarHBondContact O-N 3.12Å; F13-K218 HydrophobicContact CB-CD 4.48Å; F13-K218 HydrophobicContact CB-CG 4.41Å; F13-K218 HydrophobicContact CD1-CB 3.49Å; F13-K218 VanDerWaalsContact CD1-CB 3.49Å; F13-K218 HydrophobicContact CD1-CG 3.66Å; F13-K218 HydrophobicContact CD2-CG 4.39Å; F13-K218 HydrophobicContact CE1-CB 3.72Å; F13-K218 HydrophobicContact CE1-CG 3.98Å; F13-K218 HydrophobicContact CG-CB 4.23Å; F13-K218 HydrophobicContact CG-CD 4.47Å; F13-K218 HydrophobicContact CG-CG 3.9Å; F13-K218 HydrophobicContact CZ-CG 4.48Å; F13-F219 HydrophobicContact CE1-CD1 4.23Å; F13-F219 HydrophobicContact CE1-CE1 4.07Å; F13-S242 VanDerWaalsContact CZ-O 3.24Å; F13-S242 WeakPolarHBondContact CZ-O 3.35Å
14E92.4Very high75.7Confident63 Ų6375.5 Ų75.529%0.29443%0.427SS..Hα-helixtrans-57.4-44.2-172.9-167.5-163142.600112.6A10 S11 L16 D17 R18A10-E14 VanDerWaalsContact CB-OE2 3.25Å; A10-E14 WeakPolarHBondContact CB-OE2 3.33Å; S11-E14 WeakPolarHBondContact O-CB 3.45Å; S11-E14 PolarHBondContact O-N 3.45Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 3.42Å; E14-D17 PolarHBondContact O-N 2.92Å; E14-R18 WeakPolarHBondContact O-CB 3.32Å; E14-R18 PolarHBondContact O-N 3.31Å; E14-R18 IonicContact OE1-CZ 3.39Å; E14-R18 IonicContact OE1-NH2 3.7Å; E14-R18 PolarHBondContact OE1-NH2 3.31Å
15V93.1Very high78.4Confident48 Ų4873.3 Ų73.329%0.29141%0.409SS..Hα-helixtrans-66.3-35.3177.7-176.50000111.3F13 H19 K391 W395F13-V15 VanDerWaalsContact C-N 3.33Å; F13-V15 PolarHBondContact O-N 3.21Å; V15-H19 WeakPolarHBondContact O-CB 3.32Å; V15-H19 PolarHBondContact O-N 3.2Å; V15-K391 VanDerWaalsContact CG2-O 3.23Å; V15-K391 WeakPolarHBondContact CG2-O 3.26Å; V15-W395 HydrophobicContact CB-CH2 4.45Å; V15-W395 HydrophobicContact CG1-CH2 3.66Å; V15-W395 HydrophobicContact CG1-CZ2 4.14Å
16L93.2Very high80.6Confident1 Ų169.5 Ų69.51%0.00539%0.388CS..Hα-helixtrans-70.3-42.7177.7-68.3171.9000111.8F13 E14 H19 R20 F219 F273 L390 W395F13-L16 HydrophobicContact CD1-CD1 3.65Å; F13-L16 HydrophobicContact CE1-CD1 4.22Å; F13-L16 CarbonylContact O-C 3.56Å; F13-L16 WeakPolarHBondContact O-CA 3.48Å; F13-L16 WeakPolarHBondContact O-CB 3.37Å; F13-L16 PolarHBondContact O-N 3.24Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 3.42Å; L16-H19 PolarHBondContact O-N 3.24Å; L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 PolarHBondContact O-N 3.08Å; L16-F219 HydrophobicContact CD1-CD1 3.9Å; L16-F219 HydrophobicContact CD1-CG 4.47Å; L16-F273 HydrophobicContact CD2-CE2 3.49Å; L16-F273 VanDerWaalsContact CD2-CE2 3.49Å; L16-F273 HydrophobicContact CD2-CZ 3.44Å; L16-F273 VanDerWaalsContact CD2-CZ 3.44Å; L16-L390 HydrophobicContact CD2-CD2 4.17Å; L16-W395 HydrophobicContact CD2-CH2 3.66Å; L16-W395 HydrophobicContact CD2-CZ2 4.34Å; L16-W395 HydrophobicContact CD2-CZ3 4.06Å; L16-W395 HydrophobicContact CG-CH2 4.39Å
17D93.9Very high82.6Confident44 Ų4466.8 Ų66.824%0.23538%0.376CS..Hα-helixtrans-64.1-45.2176.6-75.9-30.4000110.2F13 E14 H19 R20 E21 K218F13-D17 PolarHBondContact O-N 3.12Å; E14-D17 PolarHBondContact O-N 2.92Å; D17-H19 VanDerWaalsContact C-N 3.31Å; D17-H19 PolarHBondContact O-N 2.98Å; D17-R20 WeakPolarHBondContact O-CB 3.34Å; D17-R20 PolarHBondContact O-N 3.32Å; D17-R20 VanDerWaalsContact O-N 3.15Å; D17-E21 WeakPolarHBondContact O-CG 3.35Å; D17-E21 PolarHBondContact O-N 2.78Å; D17-K218 VanDerWaalsContact CG-NZ 3.28Å; D17-K218 WeakPolarHBondContact OD1-CD 3.42Å; D17-K218 IonicContact OD1-NZ 3.48Å; D17-K218 PolarHBondContact OD1-NZ 2.84Å; D17-K218 IonicContact OD2-NZ 2.79Å; D17-K218 PolarHBondContact OD2-NZ 2.83Å
18R94.4Very high84.9Confident140 Ų14073.9 Ų73.953%0.52839%0.385SS..Hα-helixtrans-60.6-39.5173.5-165.8-173.1-53.2-170.52.8112.5E14 E21 S22E14-R18 WeakPolarHBondContact O-CB 3.32Å; E14-R18 PolarHBondContact O-N 3.31Å; E14-R18 IonicContact OE1-CZ 3.39Å; E14-R18 IonicContact OE1-NH2 3.7Å; E14-R18 PolarHBondContact OE1-NH2 3.31Å; R18-E21 PolarHBondContact O-N 3.44Å; R18-S22 PolarHBondContact O-N 3.48Å
19H94.6Very high86.2Confident25 Ų2576.8 Ų76.812%0.11638%0.379CS..Hα-helixtrans-64.6-43.3175.7-177.147.8000111.5V15 L16 D17 E21 S22 L23 W395V15-H19 WeakPolarHBondContact O-CB 3.32Å; V15-H19 PolarHBondContact O-N 3.2Å; L16-H19 PolarHBondContact O-N 3.24Å; D17-H19 VanDerWaalsContact C-N 3.31Å; D17-H19 PolarHBondContact O-N 2.98Å; H19-E21 PolarHBondContact O-N 3.23Å; H19-S22 WeakPolarHBondContact O-CB 3.35Å; H19-S22 PolarHBondContact O-N 3.4Å; H19-L23 WeakPolarHBondContact O-CG 3.37Å; H19-L23 PolarHBondContact O-N 3.45Å; H19-W395 HydrophobicContact CB-CZ2 4.1Å
20R94.2Very high87.1Confident67 Ų6770.1 Ų70.125%0.25336%0.362SS..Hα-helixtrans-59.2-45.6175.4-171.7176.2-174.7-173.4-3.2111.9L16 D17 S22 L23 L24 F268 H269 P271L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 PolarHBondContact O-N 3.08Å; D17-R20 WeakPolarHBondContact O-CB 3.34Å; D17-R20 PolarHBondContact O-N 3.32Å; D17-R20 VanDerWaalsContact O-N 3.15Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 2.91Å; R20-L23 WeakPolarHBondContact O-CB 3.17Å; R20-L23 PolarHBondContact O-N 2.88Å; R20-L23 VanDerWaalsContact O-N 3.15Å; R20-L24 HydrophobicContact CG-CD1 4.4Å; R20-L24 WeakPolarHBondContact O-CG 3.45Å; R20-L24 PolarHBondContact O-N 3.03Å; R20-F268 PolarHBondContact NH2-O 3.34Å; R20-H269 WeakPolarHBondContact CG-O 3.5Å; R20-H269 PolarHBondContact NE-O 3.07Å; R20-P271 HydrophobicContact CB-CG 3.72Å; R20-P271 HydrophobicContact CG-CG 4.15Å
21E94.4Very high86.7Confident131 Ų13171.3 Ų71.361%0.61238%0.379SS*.Hα-helixtrans-59.7-43.2175.3-72.2176.8172.100111.9D17 R18 H19 L23 L24 A25D17-E21 WeakPolarHBondContact O-CG 3.35Å; D17-E21 PolarHBondContact O-N 2.78Å; R18-E21 PolarHBondContact O-N 3.44Å; H19-E21 PolarHBondContact O-N 3.23Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 3.48Å; E21-L24 PolarHBondContact O-N 3.11Å; E21-A25 WeakPolarHBondContact O-CB 3.39Å; E21-A25 PolarHBondContact O-N 2.94Å
22S94.1Very high85Confident67 Ų6776 Ų7647%0.46939%0.393SS..Hα-helixtrans-60.7-37.8175.2179.20000112.4R18 H19 R20 A26R18-S22 PolarHBondContact O-N 3.48Å; H19-S22 WeakPolarHBondContact O-CB 3.35Å; H19-S22 PolarHBondContact O-N 3.4Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 2.91Å; S22-A26 PolarHBondContact O-N 2.95Å
23L91.8Very high82.9Confident15 Ų1582.3 Ų82.38%0.07942%0.423CS..Hα-helixtrans-68.7-44.2176.8-67.7170.7000111.4H19 R20 E21 A25 A26 L27 W265 A307H19-L23 WeakPolarHBondContact O-CG 3.37Å; H19-L23 PolarHBondContact O-N 3.45Å; R20-L23 WeakPolarHBondContact O-CB 3.17Å; R20-L23 PolarHBondContact O-N 2.88Å; R20-L23 VanDerWaalsContact O-N 3.15Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 3.48Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.47Å; L23-A26 WeakPolarHBondContact O-CB 3.44Å; L23-A26 PolarHBondContact O-N 2.96Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.27Å; L23-W265 HydrophobicContact CB-CH2 3.94Å; L23-W265 HydrophobicContact CD1-CH2 3.86Å; L23-W265 HydrophobicContact CD1-CZ3 3.92Å; L23-W265 HydrophobicContact CG-CH2 4.34Å; L23-A307 HydrophobicContact CD1-CB 4.29Å; L23-A307 HydrophobicContact CD2-CB 3.99Å
24L91.9Very high80.5Confident49 Ų4986 Ų8626%0.25745%0.449SS..Hα-helixtrans-61.8-40.5175.6-71.3171.7000111.8R20 E21 A26 L27 R28 H269R20-L24 HydrophobicContact CG-CD1 4.4Å; R20-L24 WeakPolarHBondContact O-CG 3.45Å; R20-L24 PolarHBondContact O-N 3.03Å; E21-L24 PolarHBondContact O-N 3.11Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.89Å; L24-L27 PolarHBondContact O-N 3.37Å; L24-R28 WeakPolarHBondContact O-CG 3.27Å; L24-R28 PolarHBondContact O-N 3.27Å; L24-H269 HydrophobicContact CD2-CB 3.64Å; L24-H269 HydrophobicContact CG-CB 4.42Å
25A91.2Very high78Confident37 Ų3786.5 Ų86.531%0.30646%0.458SS..Hα-helixtrans-65.1-36.8175.300000112.3E21 L23 R29E21-A25 WeakPolarHBondContact O-CB 3.39Å; E21-A25 PolarHBondContact O-N 2.94Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.47Å; A25-R29 WeakPolarHBondContact O-CG 3.35Å; A25-R29 PolarHBondContact O-N 2.94Å; A25-R29 PolarHBondContact O-NE 3.28Å
26A86.9Confident75.3Confident51 Ų5190.5 Ų90.542%0.42149%0.488SS..Hα-helixtrans-64.2-41.8173.500000112S22 L23 L24 R29 G30S22-A26 PolarHBondContact O-N 2.95Å; L23-A26 WeakPolarHBondContact O-CB 3.44Å; L23-A26 PolarHBondContact O-N 2.96Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.89Å; A26-R29 PolarHBondContact O-N 2.71Å; A26-G30 PolarHBondContact O-N 3.42Å; A26-G30 VanDerWaalsContact O-N 3.07Å
27L85.3Confident72.8Confident83 Ų8393.1 Ų93.144%0.43552%0.516SS..Hα-helixtrans-63.3-42176.4-70.1169.7000112.5L23 L24 R29 G30 W265 H269L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3.27Å; L24-L27 PolarHBondContact O-N 3.37Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-G30 PolarHBondContact O-N 3.11Å; L27-W265 HydrophobicContact CD1-CH2 4.48Å; L27-W265 HydrophobicContact CD1-CZ2 3.94Å; L27-H269 WeakPolarHBondContact CD1-CD2 3.24Å
28R85.1Confident70.6Confident207 Ų20792.2 Ų92.278%0.78152%0.517SS*.Hα-helixtrans-62.3-35.3176.5-70174.1-173.2172.22.3112.8L24L24-R28 WeakPolarHBondContact O-CG 3.27Å; L24-R28 PolarHBondContact O-N 3.27Å
29R78.4Confident68.6Low194 Ų19485.7 Ų85.773%0.73249%0.493SS*.Hα-helixtrans-76-30177.9-74.6-176.2-71.4-142.1-0.3113.1A25 A26 L27 G31A25-R29 WeakPolarHBondContact O-CG 3.35Å; A25-R29 PolarHBondContact O-N 2.94Å; A25-R29 PolarHBondContact O-NE 3.28Å; A26-R29 PolarHBondContact O-N 2.71Å; L27-R29 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-G31 PolarHBondContact O-N 2.98Å
30G64.8Low67.2Low56 Ų5693.9 Ų93.958%0.57752%0.523SS*.THydrogen-bonded Turntrans-84.224.8-179.900000114.6A26 L27 Q32A26-G30 PolarHBondContact O-N 3.42Å; A26-G30 VanDerWaalsContact O-N 3.07Å; L27-G30 PolarHBondContact O-N 3.11Å; G30-Q32 PolarHBondContact O-N 3.43Å
31G48.1Very low65.9Low69 Ų6995.1 Ų95.171%0.71154%0.537SS*.  trans-60.668.4-170.600000116.1R29R29-G31 PolarHBondContact O-N 2.98Å
32Q41.8Very low65.1Low174 Ų17489.5 Ų89.581%0.81351%0.513SS*.  trans-110.7129.7154.2-78-176.7-2300107.3G30G30-Q32 PolarHBondContact O-N 3.43Å
33E40.1Very low64.8Low180 Ų18089 Ų8984%0.84151%0.509SS*.PPolyproline II helixtrans-47.6137.9163.6-74.6-177.514800108.6
34P41.6Very low64.8Low104 Ų10490.7 Ų90.768%0.67552%0.523SS*.PPolyproline II helixtrans-54.3129.8176.522.3-30.7000107.9S36P34-S36 PolarHBondContact O-N 2.85Å
35P38.3Very low64.8Low74 Ų7492.1 Ų92.148%0.48154%0.537SS..PPolyproline II helixtrans-53.8131.5176.920.2-30.1000108.2G37P35-G37 PolarHBondContact O-N 3.1Å
36S37Very low64.9Low132 Ų13294.9 Ų94.992%0.92354%0.543SS*.THydrogen-bonded Turntrans-64.723.7-176.954.90000114.5P34P34-S36 PolarHBondContact O-N 2.85Å
37G40.3Very low65.2Low57 Ų5792.5 Ų92.559%0.58852%0.524SS*.THydrogen-bonded Turntrans-94.23.7179.700000114.8P35P35-G37 PolarHBondContact O-N 3.1Å
38G48.1Very low65.7Low25 Ų2590 Ų9026%0.25851%0.51SS..SBendtrans-72.4150.617600000113.1R40G38-R40 PolarHBondContact O-N 3.41Å
39S53.5Low66.3Low3 Ų383.1 Ų83.12%0.02149%0.491CS..  trans-57.2104.3176.562.80000111.9H302S39-H302 PolarHBondContact O-CE1 3.06Å; S39-H302 PolarHBondContact OG-CE1 2.95Å; S39-H302 PolarHBondContact OG-ND1 3.19Å; S39-H302 VanDerWaalsContact OG-ND1 3.1Å
40R63.9Low67Low197 Ų19775.6 Ų75.674%0.74347%0.469SS*.BIsolated β-bridgetrans-67.8148.6179-155.3175.8-176.4-174.70109.5G38 A42G38-R40 PolarHBondContact O-N 3.41Å; R40-A42 VanDerWaalsContact C-N 3.26Å; R40-A42 PolarHBondContact O-N 3.31Å
41V67.5Low68.5Low92 Ų9273.1 Ų73.156%0.55844%0.442SS*.  trans-72.192.7164-178.40000106.3
42A78.4Confident70.8Confident13 Ų1373.8 Ų73.811%0.10743%0.427CS..  trans-71.9145.9177.600000110.3R40 E46 V47 V163 S167R40-A42 VanDerWaalsContact C-N 3.26Å; R40-A42 PolarHBondContact O-N 3.31Å; A42-E46 WeakPolarHBondContact CA-OE2 3.15Å; A42-E46 HydrophobicContact CB-CB 4.23Å; A42-E46 WeakPolarHBondContact CB-OE2 3.2Å; A42-V47 HydrophobicContact CB-CG2 3.94Å; A42-V163 HydrophobicContact CB-CB 4.14Å; A42-V163 HydrophobicContact CB-CG1 3.45Å; A42-V163 VanDerWaalsContact CB-CG1 3.45Å; A42-S167 PolarHBondContact N-OG 3.34Å; A42-S167 PolarHBondContact O-OG 3.39Å
43S87.6Confident73.4Confident56 Ų5669.3 Ų69.339%0.39241%0.408SS..  trans-68.9156173.774.50000110.7S45 E46 V47S43-S45 PolarHBondContact O-N 2.8Å; S43-E46 PolarHBondContact N-OE2 3.38Å; S43-E46 WeakPolarHBondContact O-CB 3.19Å; S43-E46 PolarHBondContact O-N 3.12Å; S43-E46 VanDerWaalsContact O-N 3.08Å; S43-E46 WeakPolarHBondContact OG-CG 3.35Å; S43-E46 PolarHBondContact OG-N 3.28Å; S43-V47 PolarHBondContact O-N 3.14Å; S43-V47 VanDerWaalsContact O-N 3.11Å
44S90.4Very high76Confident51 Ų5162 Ų6236%0.35738%0.375SS..Hα-helixtrans-56.3-36.1177-53.70000111.7V47 L48 V125S44-V47 PolarHBondContact O-N 2.96Å; S44-L48 VanDerWaalsContact O-CG 3.27Å; S44-L48 WeakPolarHBondContact O-CG 3.41Å; S44-L48 PolarHBondContact O-N 2.87Å; S44-V125 WeakPolarHBondContact O-CG1 3.44Å
45S92.3Very high78.6Confident80 Ų8059.8 Ų59.856%0.55936%0.357SS*.Hα-helixtrans-64.8-43.3176.2178.70000112.5S43 V47 L48 V49S43-S45 PolarHBondContact O-N 2.8Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.04Å; S45-L48 PolarHBondContact O-N 3.47Å; S45-V49 WeakPolarHBondContact O-CG2 3.43Å; S45-V49 PolarHBondContact O-N 3.22Å
46E93.2Very high81.3Confident94 Ų9462 Ų6244%0.43936%0.361SS..Hα-helixtrans-62-39.8177-73.2166.3-179.500111.9A42 S43 S50A42-E46 WeakPolarHBondContact CA-OE2 3.15Å; A42-E46 HydrophobicContact CB-CB 4.23Å; A42-E46 WeakPolarHBondContact CB-OE2 3.2Å; S43-E46 PolarHBondContact N-OE2 3.38Å; S43-E46 WeakPolarHBondContact O-CB 3.19Å; S43-E46 PolarHBondContact O-N 3.12Å; S43-E46 VanDerWaalsContact O-N 3.08Å; S43-E46 WeakPolarHBondContact OG-CG 3.35Å; S43-E46 PolarHBondContact OG-N 3.28Å; E46-S50 WeakPolarHBondContact O-CB 3.22Å; E46-S50 PolarHBondContact O-N 3.01Å; E46-S50 PolarHBondContact O-OG 2.74Å
47V93.8Very high84.1Confident1 Ų160.7 Ų60.71%0.00634%0.343CS..Hα-helixtrans-66.4-44.3178.1177.20000110.8A42 S43 S44 S45 S50 I51 V125 V163 L168A42-V47 HydrophobicContact CB-CG2 3.94Å; S43-V47 PolarHBondContact O-N 3.14Å; S43-V47 VanDerWaalsContact O-N 3.11Å; S44-V47 PolarHBondContact O-N 2.96Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.04Å; V47-S50 PolarHBondContact O-N 2.99Å; V47-I51 HydrophobicContact CG1-CD1 4.07Å; V47-I51 WeakPolarHBondContact O-CG1 3.41Å; V47-I51 PolarHBondContact O-N 2.64Å; V47-V125 HydrophobicContact CB-CG1 4.36Å; V47-V125 HydrophobicContact CG1-CG1 4.43Å; V47-V125 HydrophobicContact CG1-CG2 3.99Å; V47-V163 HydrophobicContact CG2-CG1 4.28Å; V47-V163 HydrophobicContact CG2-CG2 4.45Å; V47-L168 HydrophobicContact CG1-CD2 4.22Å
48L95.7Very high86.7Confident30 Ų3059 Ų5916%0.15732%0.321CS..Hα-helixtrans-61-50.2177.3-68.4170.9000111.2S44 S45 S50 I51 E52 Y122 V125 Q126S44-L48 VanDerWaalsContact O-CG 3.27Å; S44-L48 WeakPolarHBondContact O-CG 3.41Å; S44-L48 PolarHBondContact O-N 2.87Å; S45-L48 PolarHBondContact O-N 3.47Å; L48-S50 VanDerWaalsContact C-N 3.28Å; L48-S50 PolarHBondContact O-N 2.7Å; L48-I51 PolarHBondContact O-N 3.17Å; L48-I51 VanDerWaalsContact O-N 3.1Å; L48-E52 VanDerWaalsContact O-CG 3.32Å; L48-E52 WeakPolarHBondContact O-CG 3.35Å; L48-E52 PolarHBondContact O-N 2.97Å; L48-Y122 HydrophobicContact CB-CE2 4.25Å; L48-Y122 HydrophobicContact CD2-CD1 4.47Å; L48-Y122 HydrophobicContact CD2-CD2 3.53Å; L48-Y122 HydrophobicContact CD2-CE1 4.46Å; L48-Y122 HydrophobicContact CD2-CE2 3.5Å; L48-Y122 HydrophobicContact CD2-CG 4.04Å; L48-Y122 HydrophobicContact CG-CE2 4.46Å; L48-V125 HydrophobicContact CD1-CG1 4.29Å; L48-V125 HydrophobicContact CD2-CB 4.02Å; L48-V125 HydrophobicContact CD2-CG1 3.9Å; L48-V125 HydrophobicContact CG-CB 4.44Å; L48-V125 HydrophobicContact CG-CG1 3.76Å; L48-Q126 HydrophobicContact CD2-CB 4.21Å
49V96.2Very high88.9Confident63 Ų6362.8 Ų62.838%0.38233%0.334SS..Hα-helixtrans-58.9-40.5177.9170.60000111.2S45 I51 E52 N53S45-V49 WeakPolarHBondContact O-CG2 3.43Å; S45-V49 PolarHBondContact O-N 3.22Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 PolarHBondContact O-N 3.44Å; V49-E52 PolarHBondContact O-N 3.44Å; V49-N53 WeakPolarHBondContact O-CB 3.39Å; V49-N53 PolarHBondContact O-N 3.25Å; V49-N53 PolarHBondContact O-ND2 3.3Å
50S95.2Very high91Very high37 Ų3764.9 Ų64.926%0.25935%0.347SS..Hα-helixtrans-64.8-37.7178.3-58.20000112.3E46 V47 L48 I54E46-S50 WeakPolarHBondContact O-CB 3.22Å; E46-S50 PolarHBondContact O-N 3.01Å; E46-S50 PolarHBondContact O-OG 2.74Å; V47-S50 PolarHBondContact O-N 2.99Å; L48-S50 VanDerWaalsContact C-N 3.28Å; L48-S50 PolarHBondContact O-N 2.7Å; S50-I54 WeakPolarHBondContact O-CG1 3.36Å; S50-I54 PolarHBondContact O-N 3.18Å
51I95.8Very high92.4Very high3 Ų356.9 Ų56.92%0.01532%0.321CS..Hα-helixtrans-70.9-43.5174.8-64.3169.9000110.3V47 L48 V49 N53 I54 I55 L118 I121 Y122 L161V47-I51 HydrophobicContact CG1-CD1 4.07Å; V47-I51 WeakPolarHBondContact O-CG1 3.41Å; V47-I51 PolarHBondContact O-N 2.64Å; L48-I51 PolarHBondContact O-N 3.17Å; L48-I51 VanDerWaalsContact O-N 3.1Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 PolarHBondContact O-N 3.44Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.08Å; I51-I54 WeakPolarHBondContact O-CB 3.42Å; I51-I54 PolarHBondContact O-N 3.32Å; I51-I54 VanDerWaalsContact O-N 3.14Å; I51-I55 HydrophobicContact CG2-CG1 4.38Å; I51-I55 WeakPolarHBondContact O-CG1 3.25Å; I51-I55 PolarHBondContact O-N 2.86Å; I51-L118 HydrophobicContact CG1-CD2 4.21Å; I51-I121 HydrophobicContact CD1-CB 4.41Å; I51-I121 HydrophobicContact CD1-CG2 3.73Å; I51-Y122 HydrophobicContact CB-CD2 4.15Å; I51-Y122 HydrophobicContact CD1-CD2 4.49Å; I51-Y122 HydrophobicContact CG2-CD2 3.9Å; I51-L161 HydrophobicContact CD1-CD1 4.45Å; I51-L161 HydrophobicContact CG1-CD1 3.94Å
52E96.6Very high93.8Very high84 Ų8457.2 Ų57.239%0.39332%0.319SS..Hα-helixtrans-57.6-44.7177.5-73.3165.7-175.500111.9L48 V49 I54 I55 Q56 Y122L48-E52 VanDerWaalsContact O-CG 3.32Å; L48-E52 WeakPolarHBondContact O-CG 3.35Å; L48-E52 PolarHBondContact O-N 2.97Å; V49-E52 PolarHBondContact O-N 3.44Å; E52-I54 VanDerWaalsContact C-N 3.31Å; E52-I54 PolarHBondContact O-N 3.02Å; E52-I55 PolarHBondContact O-N 3.26Å; E52-I55 VanDerWaalsContact O-N 3.12Å; E52-Q56 WeakPolarHBondContact O-CB 3.35Å; E52-Q56 PolarHBondContact O-N 3.49Å; E52-Y122 HydrophobicContact CG-CE2 3.86Å; E52-Y122 PolarHBondContact OE1-OH 3.01Å; E52-Y122 VanDerWaalsContact OE1-OH 3.07Å
53N96.1Very high94.6Very high79 Ų7960.6 Ų60.642%0.42235%0.347SS..Hα-helixtrans-58-43175.5-70.8-25.1000111.9V49 I51 I55 Q56 D57V49-N53 WeakPolarHBondContact O-CB 3.39Å; V49-N53 PolarHBondContact O-N 3.25Å; V49-N53 PolarHBondContact O-ND2 3.3Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.08Å; N53-I55 PolarHBondContact O-N 3.17Å; N53-Q56 PolarHBondContact O-N 3.29Å; N53-D57 PolarHBondContact O-N 3.37Å
54I95.1Very high95Very high27 Ų2765.9 Ų65.914%0.13836%0.358CS..Hα-helixtrans-63.3-41.9176.2-70.2168.6000111.3S50 I51 E52 Q56 D57 I58 F70 L118 M160 L161S50-I54 WeakPolarHBondContact O-CG1 3.36Å; S50-I54 PolarHBondContact O-N 3.18Å; I51-I54 WeakPolarHBondContact O-CB 3.42Å; I51-I54 PolarHBondContact O-N 3.32Å; I51-I54 VanDerWaalsContact O-N 3.14Å; E52-I54 VanDerWaalsContact C-N 3.31Å; E52-I54 PolarHBondContact O-N 3.02Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-D57 PolarHBondContact O-N 2.84Å; I54-I58 HydrophobicContact CG2-CD1 4.33Å; I54-I58 WeakPolarHBondContact O-CG1 3.43Å; I54-I58 PolarHBondContact O-N 3.33Å; I54-I58 VanDerWaalsContact O-N 3.11Å; I54-F70 HydrophobicContact CG2-CD1 4.2Å; I54-F70 HydrophobicContact CG2-CE1 3.63Å; I54-L118 HydrophobicContact CG2-CD1 4.28Å; I54-M160 HydrophobicContact CD1-CE 3.57Å; I54-M160 HydrophobicContact CD1-CG 4.48Å; I54-M160 HydrophobicContact CD1-SD 4.15Å; I54-L161 HydrophobicContact CD1-CD2 3.38Å
55I95.3Very high95.2Very high58 Ų5871.1 Ų71.130%0.29738%0.382SS..Hα-helixtrans-66.5-39.8177.2-60.9-53.6000110.6I51 E52 N53 D57 I58 I59 L115I51-I55 HydrophobicContact CG2-CG1 4.38Å; I51-I55 WeakPolarHBondContact O-CG1 3.25Å; I51-I55 PolarHBondContact O-N 2.86Å; E52-I55 PolarHBondContact O-N 3.26Å; E52-I55 VanDerWaalsContact O-N 3.12Å; N53-I55 PolarHBondContact O-N 3.17Å; I55-D57 VanDerWaalsContact C-N 3.34Å; I55-D57 PolarHBondContact O-N 3.23Å; I55-I58 HydrophobicContact CD1-CD1 4.28Å; I55-I58 WeakPolarHBondContact O-CB 3.35Å; I55-I58 PolarHBondContact O-N 3.45Å; I55-I59 HydrophobicContact CG2-CD1 3.99Å; I55-I59 WeakPolarHBondContact O-CG1 3.29Å; I55-I59 PolarHBondContact O-N 2.96Å; I55-L115 HydrophobicContact CD1-CD1 3.56Å
56Q96Very high95.3Very high120 Ų12072.6 Ų72.656%0.56138%0.381SS*.Hα-helixtrans-61.9-40.8175.4-177175.3-9.500111.7E52 N53 I54 I58 I59 T60E52-Q56 WeakPolarHBondContact O-CB 3.35Å; E52-Q56 PolarHBondContact O-N 3.49Å; N53-Q56 PolarHBondContact O-N 3.29Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; Q56-I58 VanDerWaalsContact C-N 3.33Å; Q56-I58 PolarHBondContact O-N 2.84Å; Q56-I59 PolarHBondContact O-N 3.3Å; Q56-T60 WeakPolarHBondContact O-CB 3.29Å; Q56-T60 PolarHBondContact O-N 3.39Å; Q56-T60 PolarHBondContact O-OG1 2.95Å
57D94.4Very high95.3Very high104 Ų10470.2 Ų70.256%0.55638%0.377SS*.Hα-helixtrans-62.7-40174.8-73.1-19.8000111.9N53 I54 I55 T60 S61N53-D57 PolarHBondContact O-N 3.37Å; I54-D57 PolarHBondContact O-N 2.84Å; I55-D57 VanDerWaalsContact C-N 3.34Å; I55-D57 PolarHBondContact O-N 3.23Å; D57-T60 PolarHBondContact O-N 3.42Å; D57-S61 WeakPolarHBondContact O-CB 3.47Å; D57-S61 PolarHBondContact O-N 3.19Å; D57-S61 PolarHBondContact O-OG 3.47Å
58I95Very high95.3Very high22 Ų2270.4 Ų70.411%0.11338%0.378CS..Hα-helixtrans-61.8-49.3174.4-69.1169.4000110.4I54 I55 Q56 T60 S61 L62 P68 F70 F111 L115I54-I58 HydrophobicContact CG2-CD1 4.33Å; I54-I58 WeakPolarHBondContact O-CG1 3.43Å; I54-I58 PolarHBondContact O-N 3.33Å; I54-I58 VanDerWaalsContact O-N 3.11Å; I55-I58 HydrophobicContact CD1-CD1 4.28Å; I55-I58 WeakPolarHBondContact O-CB 3.35Å; I55-I58 PolarHBondContact O-N 3.45Å; Q56-I58 VanDerWaalsContact C-N 3.33Å; Q56-I58 PolarHBondContact O-N 2.84Å; I58-T60 VanDerWaalsContact C-N 3.32Å; I58-T60 PolarHBondContact O-N 3.32Å; I58-S61 PolarHBondContact O-N 3.3Å; I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.5Å; I58-L62 PolarHBondContact O-N 2.93Å; I58-P68 HydrophobicContact CB-CB 4.38Å; I58-P68 HydrophobicContact CG1-CB 4.2Å; I58-P68 HydrophobicContact CG2-CB 3.97Å; I58-P68 HydrophobicContact CG2-CG 3.89Å; I58-F70 HydrophobicContact CD1-CE1 3.84Å; I58-F70 HydrophobicContact CD1-CZ 3.85Å; I58-F111 HydrophobicContact CD1-CZ 4.31Å; I58-L115 HydrophobicContact CD1-CD1 4Å
59I95.6Very high95.3Very high104 Ų10471 Ų7153%0.53339%0.387SS..Hα-helixtrans-62.3-42179.7-66.5167.6000110.6I55 Q56 S61 L62 A63I55-I59 HydrophobicContact CG2-CD1 3.99Å; I55-I59 WeakPolarHBondContact O-CG1 3.29Å; I55-I59 PolarHBondContact O-N 2.96Å; Q56-I59 PolarHBondContact O-N 3.3Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 2.88Å; I59-L62 PolarHBondContact O-N 3.14Å; I59-A63 WeakPolarHBondContact O-CB 3.48Å; I59-A63 PolarHBondContact O-N 2.97Å
60T96.5Very high95.1Very high48 Ų4868.3 Ų68.329%0.29437%0.37SS..Hα-helixtrans-63-41.1178.2-56.90000111.5Q56 D57 I58 A63 R64Q56-T60 WeakPolarHBondContact O-CB 3.29Å; Q56-T60 PolarHBondContact O-N 3.39Å; Q56-T60 PolarHBondContact O-OG1 2.95Å; D57-T60 PolarHBondContact O-N 3.42Å; I58-T60 VanDerWaalsContact C-N 3.32Å; I58-T60 PolarHBondContact O-N 3.32Å; T60-A63 PolarHBondContact O-N 2.59Å; T60-R64 WeakPolarHBondContact O-CG 3.32Å; T60-R64 PolarHBondContact O-N 3.33Å
61S94.9Very high94.9Very high29 Ų2970 Ų7020%0.20338%0.379CS..Hα-helixtrans-62-46.5175.2-55.70000110.9D57 I58 I59 A63 R64 N65 E66D57-S61 WeakPolarHBondContact O-CB 3.47Å; D57-S61 PolarHBondContact O-N 3.19Å; D57-S61 PolarHBondContact O-OG 3.47Å; I58-S61 PolarHBondContact O-N 3.3Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 2.88Å; S61-A63 PolarHBondContact O-N 3.34Å; S61-R64 CarbonylContact O-C 3.59Å; S61-R64 PolarHBondContact O-N 3.26Å; S61-R64 VanDerWaalsContact O-N 3.12Å; S61-N65 PolarHBondContact O-N 3.32Å; S61-E66 CarbonylContact C-O 2.95Å; S61-E66 PolarHBondContact O-N 3.05Å; S61-E66 VanDerWaalsContact O-O 3.14Å
62L94.9Very high94.6Very high99 Ų9969.9 Ų69.952%0.51838%0.378SS..Hα-helixtrans-62.4-41.7177.5-69.1171.9000112.4I58 I59 R64 N65 P68I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.5Å; I58-L62 PolarHBondContact O-N 2.93Å; I59-L62 PolarHBondContact O-N 3.14Å; L62-R64 PolarHBondContact O-N 3.17Å; L62-N65 PolarHBondContact O-N 3.38Å; L62-P68 HydrophobicContact CD1-CG 4.35Å; L62-P68 HydrophobicContact CD2-CG 3.65Å; L62-P68 HydrophobicContact CG-CG 3.66Å
63A96.2Very high94.2Very high84 Ų8467.2 Ų67.269%0.69437%0.367SS*.Hα-helixtrans-62.4-25.8176.900000112.7I59 T60 S61 N65I59-A63 WeakPolarHBondContact O-CB 3.48Å; I59-A63 PolarHBondContact O-N 2.97Å; T60-A63 PolarHBondContact O-N 2.59Å; S61-A63 PolarHBondContact O-N 3.34Å; A63-N65 VanDerWaalsContact C-N 3.33Å
64R96.4Very high93.6Very high167 Ų16764.8 Ų64.863%0.6335%0.354SS*.THydrogen-bonded Turntrans-87.94.7174-66.4174.7-176.6173.72.9113.6T60 S61 L62 E66T60-R64 WeakPolarHBondContact O-CG 3.32Å; T60-R64 PolarHBondContact O-N 3.33Å; S61-R64 CarbonylContact O-C 3.59Å; S61-R64 PolarHBondContact O-N 3.26Å; S61-R64 VanDerWaalsContact O-N 3.12Å; L62-R64 PolarHBondContact O-N 3.17Å; R64-E66 HydrophobicContact CB-CG 4.12Å; R64-E66 PolarHBondContact O-N 3.45Å
65N93.6Very high93.1Very high160 Ų16064.1 Ų64.186%0.85635%0.35SS*.THydrogen-bonded Turntrans57.228.4-169.7-67.3-45.9000113.7S61 L62 A63S61-N65 PolarHBondContact O-N 3.32Å; L62-N65 PolarHBondContact O-N 3.38Å; A63-N65 VanDerWaalsContact C-N 3.33Å
66E94.4Very high92.3Very high112 Ų11264.8 Ų64.852%0.52336%0.359SS..PPolyproline II helixtrans-99.9140.9174.9-65.8177.7-176.900110.4S61 R64 P68S61-E66 CarbonylContact C-O 2.95Å; S61-E66 PolarHBondContact O-N 3.05Å; S61-E66 VanDerWaalsContact O-O 3.14Å; R64-E66 HydrophobicContact CB-CG 4.12Å; R64-E66 PolarHBondContact O-N 3.45Å; E66-P68 VanDerWaalsContact O-CD 3.25Å; E66-P68 WeakPolarHBondContact O-CD 3.41Å
67A93.2Very high91.6Very high44 Ų4460.2 Ų60.236%0.36434%0.341SS..PPolyproline II helixtrans-69.5120.5176.600000110.9D103A67-D103 HydrophobicContact CB-CB 3.64Å; A67-D103 VanDerWaalsContact CB-CG 3.44Å; A67-D103 WeakPolarHBondContact CB-OD2 3.43Å
68P95Very high90.9Very high5 Ų560.7 Ų60.73%0.03234%0.335CS..PPolyproline II helixtrans-59.8146.3177.3-25.534.8000112.9I58 L62 E66 S102 F111I58-P68 HydrophobicContact CB-CB 4.38Å; I58-P68 HydrophobicContact CG1-CB 4.2Å; I58-P68 HydrophobicContact CG2-CB 3.97Å; I58-P68 HydrophobicContact CG2-CG 3.89Å; L62-P68 HydrophobicContact CD1-CG 4.35Å; L62-P68 HydrophobicContact CD2-CG 3.65Å; L62-P68 HydrophobicContact CG-CG 3.66Å; E66-P68 VanDerWaalsContact O-CD 3.25Å; E66-P68 WeakPolarHBondContact O-CD 3.41Å; P68-S102 WeakPolarHBondContact CD-OG 3.38Å; P68-S102 PolarHBondContact O-N 3.2Å; P68-S102 PolarHBondContact O-OG 2.96Å; P68-F111 HydrophobicContact CB-CE2 4.14Å; P68-F111 HydrophobicContact CB-CZ 3.79Å
69A94.3Very high90.3Very high41 Ų4167.4 Ų67.434%0.33937%0.366SS..EExtended strand (participates in β ladder)trans-145.8139176.400000112I100 K101A69-I100 CarbonylContact C-O 3.41Å; A69-I100 WeakPolarHBondContact CA-O 3.47Å; A69-K101 HydrophobicContact CB-CB 4.34Å; A69-K101 HydrophobicContact CB-CG 3.98Å
70F93.5Very high89.8Confident7 Ų762.7 Ų62.73%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-84.1137.1167-60.7-65.9000109.9I54 I58 I72 K99 I100 F111 I114 L115 L118 M160I54-F70 HydrophobicContact CG2-CD1 4.2Å; I54-F70 HydrophobicContact CG2-CE1 3.63Å; I58-F70 HydrophobicContact CD1-CE1 3.84Å; I58-F70 HydrophobicContact CD1-CZ 3.85Å; F70-I72 HydrophobicContact CB-CD1 4.25Å; F70-I72 HydrophobicContact CB-CG1 4.06Å; F70-K99 CarbonylContact O-C 3.33Å; F70-K99 WeakPolarHBondContact O-CA 3.4Å; F70-I100 HydrophobicContact CB-CB 4.37Å; F70-I100 PolarHBondContact N-O 3.07Å; F70-I100 PolarHBondContact O-N 3.05Å; F70-F111 AromaticContact CD2-CD2 3.34Å; F70-F111 HydrophobicContact CD2-CD2 3.34Å; F70-F111 AromaticContact CD2-CE2 3.52Å; F70-F111 HydrophobicContact CD2-CE2 3.52Å; F70-F111 HydrophobicContact CD2-CG 4.18Å; F70-F111 HydrophobicContact CD2-CZ 4.46Å; F70-F111 HydrophobicContact CE2-CD1 4.37Å; F70-F111 AromaticContact CE2-CD2 3.35Å; F70-F111 HydrophobicContact CE2-CD2 3.35Å; F70-F111 HydrophobicContact CE2-CE1 4.34Å; F70-F111 AromaticContact CE2-CE2 3.32Å; F70-F111 HydrophobicContact CE2-CE2 3.32Å; F70-F111 AromaticContact CE2-CG 3.89Å; F70-F111 HydrophobicContact CE2-CG 3.89Å; F70-F111 AromaticContact CE2-CZ 3.84Å; F70-F111 HydrophobicContact CE2-CZ 3.84Å; F70-F111 HydrophobicContact CG-CD2 4.35Å; F70-F111 HydrophobicContact CG-CE2 4.25Å; F70-F111 HydrophobicContact CZ-CD2 4.36Å; F70-F111 AromaticContact CZ-CE2 3.91Å; F70-F111 HydrophobicContact CZ-CE2 3.91Å; F70-F111 HydrophobicContact CZ-CZ 4.12Å; F70-I114 HydrophobicContact CD1-CG2 4.49Å; F70-I114 HydrophobicContact CD2-CB 4.14Å; F70-I114 HydrophobicContact CD2-CD1 4.07Å; F70-I114 HydrophobicContact CD2-CG2 3.84Å; F70-I114 HydrophobicContact CE1-CG2 4.27Å; F70-I114 HydrophobicContact CE2-CB 3.85Å; F70-I114 HydrophobicContact CE2-CG2 3.6Å; F70-I114 HydrophobicContact CG-CG2 4.29Å; F70-I114 HydrophobicContact CZ-CB 4.49Å; F70-I114 HydrophobicContact CZ-CG2 3.84Å; F70-L115 HydrophobicContact CZ-CB 4.43Å; F70-L115 HydrophobicContact CZ-CD1 4.47Å; F70-L118 HydrophobicContact CE1-CD1 4.04Å; F70-L118 HydrophobicContact CZ-CD1 4.18Å; F70-M160 HydrophobicContact CD1-SD 4.25Å
71T91.3Very high89.3Confident72 Ų7261.2 Ų61.244%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-102.5113.2168.9-58.80000108.1T97T71-T97 HydrophobicContact CG2-CG2 3.91Å
72I89.3Confident89Confident1 Ų166 Ų661%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-121.8132-174.1-54.4-167.4000110.2F70 N74 T97 R98 I100 I114 D156F70-I72 HydrophobicContact CB-CD1 4.25Å; F70-I72 HydrophobicContact CB-CG1 4.06Å; I72-N74 PolarHBondContact O-N 3.28Å; I72-T97 CarbonylContact O-C 3.58Å; I72-T97 WeakPolarHBondContact O-CA 3.23Å; I72-R98 PolarHBondContact N-O 3.43Å; I72-R98 PolarHBondContact O-N 2.75Å; I72-I100 HydrophobicContact CD1-CD1 3.44Å; I72-I100 VanDerWaalsContact CD1-CD1 3.44Å; I72-I100 HydrophobicContact CD1-CG1 4.42Å; I72-I100 HydrophobicContact CG1-CD1 4.15Å; I72-I114 HydrophobicContact CD1-CD1 3.73Å; I72-D156 HydrophobicContact CD1-CB 4.02Å; I72-D156 HydrophobicContact CG2-CB 3.76Å
73D86.8Confident88.7Confident28 Ų2862.2 Ų62.215%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-57.1132.9173.9-63.7-24.3000112.1R75 M91 C95 C159 K162D73-R75 PolarHBondContact O-N 3.39Å; D73-M91 HydrophobicContact CB-CE 3.62Å; D73-C95 WeakPolarHBondContact CB-SG 3.41Å; D73-C95 PolarHBondContact OD1-SG 2.85Å; D73-C95 VanDerWaalsContact OD1-SG 3.42Å; D73-C159 PolarHBondContact OD2-SG 3.46Å; D73-K162 IonicContact OD2-NZ 2.64Å; D73-K162 PolarHBondContact OD2-NZ 3.32Å
74N84.6Confident88.3Confident29 Ų2960.9 Ų60.916%0.15531%0.308CS..  trans-83.980.1-177.1-176.614.6000112.2I72 S76 N80 T96 R98I72-N74 PolarHBondContact O-N 3.28Å; N74-S76 PolarHBondContact O-N 2.66Å; N74-S76 VanDerWaalsContact O-N 3.1Å; N74-S76 PolarHBondContact OD1-N 3.26Å; N74-N80 WeakPolarHBondContact CB-ND2 3.5Å; N74-N80 PolarHBondContact O-ND2 3.2Å; N74-T96 WeakPolarHBondContact CB-O 3.41Å; N74-T96 PolarHBondContact N-O 3.01Å; N74-R98 HydrophobicContact CB-CG 4.09Å
75R83.5Confident87.7Confident12 Ų1256.6 Ų56.65%0.04530%0.297CS..THydrogen-bonded Turntrans-70.63.6175.665.9-176.7-175.996.816.1115.8D73 M91 N152 N155 D156 M294 S295D73-R75 PolarHBondContact O-N 3.39Å; R75-M91 HydrophobicContact CB-CE 4.49Å; R75-M91 HydrophobicContact CB-SD 3.79Å; R75-N152 VanDerWaalsContact NH2-CA 3.25Å; R75-N152 PolarHBondContact NH2-O 3.4Å; R75-N152 PolarHBondContact NH2-OD1 3.14Å; R75-N155 VanDerWaalsContact NH1-CB 3.3Å; R75-D156 IonicContact CZ-OD1 2.74Å; R75-D156 IonicContact NE-OD1 3.99Å; R75-D156 PolarHBondContact NE-OD1 3.29Å; R75-D156 IonicContact NH2-OD1 3.37Å; R75-D156 PolarHBondContact NH2-OD1 3.05Å; R75-M294 WeakPolarHBondContact O-CG 3.31Å; R75-S295 PolarHBondContact NH1-O 2.8Å
76S78.8Confident87.3Confident72 Ų7252.5 Ų52.550%0.50328%0.281SS..THydrogen-bonded Turntrans-104.4-1.3-176.5-56.10000113.9N74 M294N74-S76 PolarHBondContact O-N 2.66Å; N74-S76 VanDerWaalsContact O-N 3.1Å; N74-S76 PolarHBondContact OD1-N 3.26Å; S76-M294 VanDerWaalsContact O-CE 3.23Å; S76-M294 WeakPolarHBondContact O-CE 3.23Å
77S82Confident86.9Confident25 Ų2547.8 Ų47.818%0.17526%0.26CS..  trans-107.7134.6175.5-177.30000112.1E79 N80 M294S77-E79 PolarHBondContact O-N 3.07Å; S77-E79 PolarHBondContact OG-N 2.85Å; S77-E79 PolarHBondContact OG-OE2 3.27Å; S77-N80 PolarHBondContact O-N 3.04Å; S77-N80 VanDerWaalsContact O-N 3.15Å; S77-M294 VanDerWaalsContact CA-CE 3.49Å; S77-M294 VanDerWaalsContact N-CE 3.28Å; S77-M294 WeakPolarHBondContact O-CE 3.36Å
78W80Confident86.7Confident114 Ų11445.7 Ų45.743%0.43224%0.243SC..G310 helixtrans-63.8-24.1175.8-83.2100.8000112.1N80 I81 L89 M294 R345 P346W78-N80 PolarHBondContact O-N 3.5Å; W78-I81 HydrophobicContact CE3-CB 4.48Å; W78-I81 PolarHBondContact O-N 3.28Å; W78-I81 VanDerWaalsContact O-N 3.07Å; W78-L89 HydrophobicContact CH2-CD1 4.09Å; W78-L89 HydrophobicContact CH2-CD2 4.26Å; W78-L89 HydrophobicContact CZ3-CD1 4.3Å; W78-L89 HydrophobicContact CZ3-CD2 3.74Å; W78-M294 HydrophobicContact CG-CE 4.15Å; W78-R345 HydrophobicContact CH2-CG 4.02Å; W78-R345 HydrophobicContact CZ2-CG 4.2Å; W78-P346 HydrophobicContact CZ3-CG 4.17Å
79E82.4Confident86.4Confident162 Ų16245.6 Ų45.676%0.75724%0.242SC*.G310 helixtrans-62.4-27.4175.3-61.7169.116700112.4S77 I81S77-E79 PolarHBondContact O-N 3.07Å; S77-E79 PolarHBondContact OG-N 2.85Å; S77-E79 PolarHBondContact OG-OE2 3.27Å; E79-I81 VanDerWaalsContact C-N 3.33Å
80N84.1Confident86.1Confident6 Ų644.9 Ų44.93%0.03223%0.232CC..G310 helixtrans-92.23.2178.7-65.9-35000113N74 S77 W78 V92 C95 T96N74-N80 WeakPolarHBondContact CB-ND2 3.5Å; N74-N80 PolarHBondContact O-ND2 3.2Å; S77-N80 PolarHBondContact O-N 3.04Å; S77-N80 VanDerWaalsContact O-N 3.15Å; W78-N80 PolarHBondContact O-N 3.5Å; N80-V92 WeakPolarHBondContact O-CG2 3.16Å; N80-V92 PolarHBondContact O-N 3.44Å; N80-C95 HydrophobicContact CB-CB 3.86Å; N80-T96 PolarHBondContact ND2-OG1 3.29Å; N80-T96 PolarHBondContact OD1-N 3.3Å; N80-T96 PolarHBondContact OD1-OG1 2.77Å
81I85.3Confident85.6Confident17 Ų1746 Ų469%0.08724%0.237CC..EExtended strand (participates in β ladder)trans-115.3118.6-177-55.7-60.2000109W78 E79 L89 Q90 M91 M294 S297W78-I81 HydrophobicContact CE3-CB 4.48Å; W78-I81 PolarHBondContact O-N 3.28Å; W78-I81 VanDerWaalsContact O-N 3.07Å; E79-I81 VanDerWaalsContact C-N 3.33Å; I81-L89 HydrophobicContact CG2-CB 3.84Å; I81-L89 HydrophobicContact CG2-CD2 3.88Å; I81-L89 HydrophobicContact CG2-CG 4.37Å; I81-Q90 CarbonylContact C-O 3.57Å; I81-Q90 VanDerWaalsContact CA-O 3.31Å; I81-Q90 WeakPolarHBondContact CA-O 3.49Å; I81-M91 HydrophobicContact CD1-CG 3.93Å; I81-M91 HydrophobicContact CD1-SD 4.39Å; I81-M294 HydrophobicContact CD1-CG 4.41Å; I81-M294 HydrophobicContact CG1-CE 4.04Å; I81-M294 HydrophobicContact CG1-CG 4.13Å; I81-S297 WeakPolarHBondContact CD1-OG 3.42Å
82K89.2Confident85.3Confident129 Ų12945.1 Ų45.156%0.56123%0.232SC*.EExtended strand (participates in β ladder)trans-96.7142.6169.1-179.7178.9175.2-168.50109Q90 V92K82-Q90 PolarHBondContact N-O 2.67Å; K82-Q90 PolarHBondContact O-N 3.38Å; K82-V92 HydrophobicContact CB-CG2 3.84Å
83F88.6Confident84.6Confident19 Ų1950.6 Ų50.68%0.08327%0.27CS..EExtended strand (participates in β ladder)trans-99.9131.2169.6175.1-107.5000110.5D85 G88 L89 Y291 P346 Y347F83-D85 WeakPolarHBondContact CE1-OD1 3.11Å; F83-D85 VanDerWaalsContact CZ-OD1 3.23Å; F83-D85 WeakPolarHBondContact CZ-OD1 3.38Å; F83-G88 WeakPolarHBondContact CA-O 3.43Å; F83-L89 HydrophobicContact CB-CD2 4.27Å; F83-L89 HydrophobicContact CD2-CD2 4.17Å; F83-Y291 AromaticContact CE2-CD1 3.5Å; F83-Y291 HydrophobicContact CE2-CD1 3.5Å; F83-Y291 AromaticContact CE2-CE1 3.77Å; F83-Y291 HydrophobicContact CE2-CE1 3.77Å; F83-Y291 HydrophobicContact CE2-CG 4.02Å; F83-Y291 AromaticContact CZ-CD1 4Å; F83-Y291 HydrophobicContact CZ-CD1 4Å; F83-Y291 AromaticContact CZ-CE1 3.76Å; F83-Y291 HydrophobicContact CZ-CE1 3.76Å; F83-P346 HydrophobicContact CB-CB 4.16Å; F83-P346 HydrophobicContact CB-CG 3.87Å; F83-P346 HydrophobicContact CG-CG 4.44Å; F83-Y347 AromaticContact CD2-CD1 4Å; F83-Y347 HydrophobicContact CD2-CD1 4Å; F83-Y347 HydrophobicContact CD2-CG 4.35Å; F83-Y347 VanDerWaalsContact CE1-CB 3.46Å; F83-Y347 HydrophobicContact CE2-CD1 4.16Å; F83-Y347 HydrophobicContact CE2-CG 4.14Å; F83-Y347 HydrophobicContact CZ-CG 4.41Å
84E88Confident84.1Confident57 Ų5757.9 Ų57.927%0.26630%0.303SS..EExtended strand (participates in β ladder)trans-132130.8175.4-163.6-175.1162.100110S86 V87 G88 Q90E84-S86 WeakPolarHBondContact CG-OG 3.2Å; E84-S86 PolarHBondContact O-N 3.23Å; E84-S86 PolarHBondContact OE1-OG 3.16Å; E84-V87 PolarHBondContact O-N 3.47Å; E84-G88 PolarHBondContact N-O 2.93Å; E84-G88 WeakPolarHBondContact O-CA 3.25Å; E84-G88 PolarHBondContact O-N 2.77Å; E84-Q90 PolarHBondContact OE2-NE2 3.2Å
85D84.7Confident83.9Confident76 Ų7657.4 Ų57.441%0.40630%0.302SS..THydrogen-bonded Turntrans-62.2-29.1-173.7-75.3-17.3000113.9F83 V87 P306 R350F83-D85 WeakPolarHBondContact CE1-OD1 3.11Å; F83-D85 VanDerWaalsContact CZ-OD1 3.23Å; F83-D85 WeakPolarHBondContact CZ-OD1 3.38Å; D85-V87 VanDerWaalsContact C-N 3.28Å; D85-V87 PolarHBondContact O-N 3.42Å; D85-P306 WeakPolarHBondContact O-CB 3.35Å; D85-P306 WeakPolarHBondContact O-CG 3.4Å; D85-R350 WeakPolarHBondContact OD1-CD 3.33Å; D85-R350 IonicContact OD1-CZ 3.2Å; D85-R350 IonicContact OD1-NE 2.75Å; D85-R350 IonicContact OD1-NH1 2.67Å; D85-R350 PolarHBondContact OD1-NH1 3.35Å; D85-R350 VanDerWaalsContact OD1-NH1 3.14Å; D85-R350 WeakPolarHBondContact OD2-CD 2.98Å; D85-R350 IonicContact OD2-CZ 2.73Å; D85-R350 IonicContact OD2-NE 2.79Å; D85-R350 IonicContact OD2-NH1 3.24Å; D85-R350 PolarHBondContact OD2-NH1 3.43Å
86S84.3Confident83.9Confident74 Ų7460.2 Ų60.252%0.51732%0.32SS..THydrogen-bonded Turntrans-72.6-18.6-178.6550000113.5E84 P306E84-S86 WeakPolarHBondContact CG-OG 3.2Å; E84-S86 PolarHBondContact O-N 3.23Å; E84-S86 PolarHBondContact OE1-OG 3.16Å; S86-P306 WeakPolarHBondContact O-CG 3.21Å
87V85.4Confident84.3Confident14 Ų1460.4 Ų60.49%0.08532%0.318CS..THydrogen-bonded Turntrans-137.1-53.6-173.7-179.30000111.3E84 D85 Q90 A300 H301 T304E84-V87 PolarHBondContact O-N 3.47Å; D85-V87 VanDerWaalsContact C-N 3.28Å; D85-V87 PolarHBondContact O-N 3.42Å; V87-Q90 HydrophobicContact CB-CG 4.25Å; V87-Q90 VanDerWaalsContact CB-NE2 3.32Å; V87-Q90 HydrophobicContact CG1-CG 3.84Å; V87-A300 HydrophobicContact CG1-CB 4.13Å; V87-H301 WeakPolarHBondContact CG2-ND1 3.35Å; V87-T304 WeakPolarHBondContact O-CB 3.48Å; V87-T304 WeakPolarHBondContact O-CG2 3.46Å; V87-T304 PolarHBondContact O-OG1 2.99Å
88G89.6Confident84.7Confident0 Ų063.1 Ų63.10%033%0.325CS..EExtended strand (participates in β ladder)trans126.8-140.9-174.200000111.9F83 E84 Q90F83-G88 WeakPolarHBondContact CA-O 3.43Å; E84-G88 PolarHBondContact N-O 2.93Å; E84-G88 WeakPolarHBondContact O-CA 3.25Å; E84-G88 PolarHBondContact O-N 2.77Å; G88-Q90 PolarHBondContact O-N 3.2Å
89L89.3Confident85.2Confident3 Ų364.5 Ų64.52%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-77.8110.5178.6-61.4179.5000110.4W78 I81 F83 Y291 S297 A300 Y347W78-L89 HydrophobicContact CH2-CD1 4.09Å; W78-L89 HydrophobicContact CH2-CD2 4.26Å; W78-L89 HydrophobicContact CZ3-CD1 4.3Å; W78-L89 HydrophobicContact CZ3-CD2 3.74Å; I81-L89 HydrophobicContact CG2-CB 3.84Å; I81-L89 HydrophobicContact CG2-CD2 3.88Å; I81-L89 HydrophobicContact CG2-CG 4.37Å; F83-L89 HydrophobicContact CB-CD2 4.27Å; F83-L89 HydrophobicContact CD2-CD2 4.17Å; L89-Y291 WeakPolarHBondContact CB-O 3.44Å; L89-Y291 PolarHBondContact N-O 2.85Å; L89-S297 WeakPolarHBondContact O-CA 3.49Å; L89-A300 WeakPolarHBondContact O-CB 3.42Å; L89-Y347 HydrophobicContact CD1-CE1 4.24Å; L89-Y347 HydrophobicContact CD2-CD1 4.04Å; L89-Y347 HydrophobicContact CD2-CE1 4.09Å; L89-Y347 HydrophobicContact CG-CE1 4.3Å
90Q87.5Confident85.7Confident25 Ų2557.3 Ų57.312%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-115.3149.5178.9-67.1177.852.100111I81 K82 E84 V87 G88 H301I81-Q90 CarbonylContact C-O 3.57Å; I81-Q90 VanDerWaalsContact CA-O 3.31Å; I81-Q90 WeakPolarHBondContact CA-O 3.49Å; K82-Q90 PolarHBondContact N-O 2.67Å; K82-Q90 PolarHBondContact O-N 3.38Å; E84-Q90 PolarHBondContact OE2-NE2 3.2Å; V87-Q90 HydrophobicContact CB-CG 4.25Å; V87-Q90 VanDerWaalsContact CB-NE2 3.32Å; V87-Q90 HydrophobicContact CG1-CG 3.84Å; G88-Q90 PolarHBondContact O-N 3.2Å; Q90-H301 VanDerWaalsContact CD-CE1 3.48Å; Q90-H301 PolarHBondContact OE1-CE1 3.11Å; Q90-H301 PolarHBondContact OE1-NE2 3.03Å; Q90-H301 VanDerWaalsContact OE1-NE2 3.16Å
91M83.4Confident86.1Confident30 Ų3061.5 Ų61.515%0.14832%0.318CS..EExtended strand (participates in β ladder)trans-71.8136.4167.4-79.2-117.3-66.800110.7D73 R75 I81 C159 S297D73-M91 HydrophobicContact CB-CE 3.62Å; R75-M91 HydrophobicContact CB-CE 4.49Å; R75-M91 HydrophobicContact CB-SD 3.79Å; I81-M91 HydrophobicContact CD1-CG 3.93Å; I81-M91 HydrophobicContact CD1-SD 4.39Å; M91-C159 WeakPolarHBondContact CE-SG 3.44Å; M91-S297 WeakPolarHBondContact CG-OG 3.22Å
92V84.1Confident86.5Confident55 Ų5562.2 Ų62.233%0.33333%0.325SS..  trans-70.8141.4173.6-177.60000109.6N80 K82 H94 C95N80-V92 WeakPolarHBondContact O-CG2 3.16Å; N80-V92 PolarHBondContact O-N 3.44Å; K82-V92 HydrophobicContact CB-CG2 3.84Å; V92-H94 VanDerWaalsContact C-N 3.26Å; V92-H94 PolarHBondContact O-N 3.1Å; V92-C95 PolarHBondContact O-N 3.16Å
93S75.1Confident86.7Confident115 Ų11560.9 Ų60.980%0.80432%0.324SS*.THydrogen-bonded Turntrans-58.5-35.2-178.7-45.60000113.5
94H76.3Confident86.9Confident182 Ų18261.7 Ų61.784%0.84333%0.332SS*.THydrogen-bonded Turntrans-109.562.8177.4-57.7-64.3000111V92V92-H94 VanDerWaalsContact C-N 3.26Å; V92-H94 PolarHBondContact O-N 3.1Å
95C79.3Confident87.1Confident18 Ų1864.7 Ų64.712%0.12236%0.356CS..  trans-77.7155.8178.972.50000112.4D73 N80 V92D73-C95 WeakPolarHBondContact CB-SG 3.41Å; D73-C95 PolarHBondContact OD1-SG 2.85Å; D73-C95 VanDerWaalsContact OD1-SG 3.42Å; N80-C95 HydrophobicContact CB-CB 3.86Å; V92-C95 PolarHBondContact O-N 3.16Å
96T85.1Confident87.3Confident72 Ų7270.9 Ų70.944%0.44238%0.38SS..  trans-63.7138.5169.956.20000110N74 N80N74-T96 WeakPolarHBondContact CB-O 3.41Å; N74-T96 PolarHBondContact N-O 3.01Å; N80-T96 PolarHBondContact ND2-OG1 3.29Å; N80-T96 PolarHBondContact OD1-N 3.3Å; N80-T96 PolarHBondContact OD1-OG1 2.77Å
97T87.4Confident87.8Confident75 Ų7568.2 Ų68.246%0.4636%0.361SS..EExtended strand (participates in β ladder)trans-105.9151.3179.260.90000110.8T71 I72T71-T97 HydrophobicContact CG2-CG2 3.91Å; I72-T97 CarbonylContact O-C 3.58Å; I72-T97 WeakPolarHBondContact O-CA 3.23Å
98R88.9Confident88.2Confident83 Ų8370.7 Ų70.731%0.31338%0.376SS..EExtended strand (participates in β ladder)trans-111.2128.9172.7-67.6177.2-60.2178.8-1.1108.4I72 N74I72-R98 PolarHBondContact N-O 3.43Å; I72-R98 PolarHBondContact O-N 2.75Å; N74-R98 HydrophobicContact CB-CG 4.09Å
99K90.6Very high88.3Confident143 Ų14377 Ų7762%0.62240%0.404SS*.EExtended strand (participates in β ladder)trans-86.7124.1170.4-71.4-171.1175.8-174.70110F70F70-K99 CarbonylContact O-C 3.33Å; F70-K99 WeakPolarHBondContact O-CA 3.4Å
100I92.6Very high88.5Confident10 Ų1079.8 Ų79.85%0.05142%0.416CS..EExtended strand (participates in β ladder)trans-106.5103172.7-57.4179.8000106.2A69 F70 I72 K110 F111 I114A69-I100 CarbonylContact C-O 3.41Å; A69-I100 WeakPolarHBondContact CA-O 3.47Å; F70-I100 HydrophobicContact CB-CB 4.37Å; F70-I100 PolarHBondContact N-O 3.07Å; F70-I100 PolarHBondContact O-N 3.05Å; I72-I100 HydrophobicContact CD1-CD1 3.44Å; I72-I100 VanDerWaalsContact CD1-CD1 3.44Å; I72-I100 HydrophobicContact CD1-CG1 4.42Å; I72-I100 HydrophobicContact CG1-CD1 4.15Å; I100-K110 HydrophobicContact CD1-CD 3.65Å; I100-K110 HydrophobicContact CD1-CG 4.04Å; I100-K110 HydrophobicContact CG2-CB 4.2Å; I100-K110 HydrophobicContact CG2-CG 4.36Å; I100-F111 HydrophobicContact CG2-CB 3.94Å; I100-F111 WeakPolarHBondContact O-CD2 3.39Å; I100-I114 HydrophobicContact CD1-CD1 3.46Å; I100-I114 VanDerWaalsContact CD1-CD1 3.46Å; I100-I114 HydrophobicContact CG2-CD1 4.32Å
101K92.8Very high88.9Confident94 Ų9479.5 Ų79.541%0.40941%0.414SS..EExtended strand (participates in β ladder)trans-92.8150.9-176.3-53.1-173174.6-171.70112.1A69 D103 S107A69-K101 HydrophobicContact CB-CB 4.34Å; A69-K101 HydrophobicContact CB-CG 3.98Å; K101-D103 WeakPolarHBondContact CB-OD1 3.27Å; K101-D103 WeakPolarHBondContact CD-OD1 3.24Å; K101-S107 PolarHBondContact N-OG 2.9Å; K101-S107 VanDerWaalsContact N-OG 3.07Å; K101-S107 CarbonylContact O-C 3.51Å; K101-S107 PolarHBondContact O-OG 3.46Å
102S94.3Very high89.4Confident33 Ų3380.7 Ų80.723%0.23143%0.428CS..SBendtrans-76.8-23.6173.965.40000113.7P68 V108P68-S102 WeakPolarHBondContact CD-OG 3.38Å; P68-S102 PolarHBondContact O-N 3.2Å; P68-S102 PolarHBondContact O-OG 2.96Å; S102-V108 VanDerWaalsContact O-CG2 3.27Å; S102-V108 WeakPolarHBondContact O-CG2 3.44Å
103D93.1Very high90Very high100 Ų10078.3 Ų78.354%0.53541%0.414SS..SBendtrans-94.2-4.9-174.666.4-13.9000114.3A67 K101A67-D103 HydrophobicContact CB-CB 3.64Å; A67-D103 VanDerWaalsContact CB-CG 3.44Å; A67-D103 WeakPolarHBondContact CB-OD2 3.43Å; K101-D103 WeakPolarHBondContact CB-OD1 3.27Å; K101-D103 WeakPolarHBondContact CD-OD1 3.24Å
104S94Very high91Very high37 Ų3772.9 Ų72.926%0.25938%0.376SS..  trans-97.9127.2-178.1-178.70000111.4K106 S107 V108S104-K106 PolarHBondContact O-N 3.03Å; S104-S107 WeakPolarHBondContact CB-OG 3.46Å; S104-S107 PolarHBondContact O-N 2.69Å; S104-V108 WeakPolarHBondContact O-CB 3.37Å; S104-V108 PolarHBondContact O-N 3.03Å
105P90.7Very high91.9Very high119 Ų11967.1 Ų67.177%0.77335%0.351SS*.THydrogen-bonded Turntrans-55.8-29177.2-26.834.2000113.8
106K90.4Very high92.7Very high206 Ų20670.6 Ų70.690%0.89636%0.364SS*.THydrogen-bonded Turntrans-75.8-27.6179.7-67.4-178.6179.9178.20113.2S104S104-K106 PolarHBondContact O-N 3.03Å
107S93.4Very high93.2Very high18 Ų1867.2 Ų67.213%0.12634%0.343CS..THydrogen-bonded Turntrans-117.9-15-173.361.70000114.9K101 S104 K109 K110 F111K101-S107 PolarHBondContact N-OG 2.9Å; K101-S107 VanDerWaalsContact N-OG 3.07Å; K101-S107 CarbonylContact O-C 3.51Å; K101-S107 PolarHBondContact O-OG 3.46Å; S104-S107 WeakPolarHBondContact CB-OG 3.46Å; S104-S107 PolarHBondContact O-N 2.69Å; S107-K109 VanDerWaalsContact C-N 3.3Å; S107-K109 PolarHBondContact O-N 3.01Å; S107-K110 CarbonylContact O-C 3.56Å; S107-K110 WeakPolarHBondContact O-CA 3.33Å; S107-K110 PolarHBondContact O-N 3.31Å; S107-F111 PolarHBondContact O-N 3.12Å
108V94.1Very high93.7Very high66 Ų6663.7 Ų63.740%0.432%0.321SS..Hα-helixtrans-54.7-43.1-176.263.40000112.7S102 S104 K110 F111 A112S102-V108 VanDerWaalsContact O-CG2 3.27Å; S102-V108 WeakPolarHBondContact O-CG2 3.44Å; S104-V108 WeakPolarHBondContact O-CB 3.37Å; S104-V108 PolarHBondContact O-N 3.03Å; V108-K110 PolarHBondContact O-N 2.89Å; V108-F111 WeakPolarHBondContact O-CB 3.39Å; V108-F111 PolarHBondContact O-N 2.83Å; V108-A112 PolarHBondContact O-N 3.37Å
109K92.9Very high94Very high133 Ų13362.4 Ų62.458%0.57833%0.325SS*.Hα-helixtrans-61.6-47.5176-172.5175.5-177175.50110.8S107 F111 A112 L113S107-K109 VanDerWaalsContact C-N 3.3Å; S107-K109 PolarHBondContact O-N 3.01Å; K109-F111 VanDerWaalsContact C-N 3.34Å; K109-F111 PolarHBondContact O-N 3.39Å; K109-A112 PolarHBondContact O-N 3.13Å; K109-L113 HydrophobicContact CG-CD1 4.26Å; K109-L113 VanDerWaalsContact O-CG 3.24Å; K109-L113 WeakPolarHBondContact O-CG 3.45Å; K109-L113 PolarHBondContact O-N 2.62Å
110K93.1Very high94.3Very high62 Ų6256.8 Ų56.827%0.2730%0.302SS..Hα-helixtrans-64.4-39179.3-170.5173.6176.7-172.30111.6I100 S107 V108 L113 I114 D156I100-K110 HydrophobicContact CD1-CD 3.65Å; I100-K110 HydrophobicContact CD1-CG 4.04Å; I100-K110 HydrophobicContact CG2-CB 4.2Å; I100-K110 HydrophobicContact CG2-CG 4.36Å; S107-K110 CarbonylContact O-C 3.56Å; S107-K110 WeakPolarHBondContact O-CA 3.33Å; S107-K110 PolarHBondContact O-N 3.31Å; V108-K110 PolarHBondContact O-N 2.89Å; K110-L113 PolarHBondContact O-N 3.44Å; K110-I114 HydrophobicContact CG-CD1 3.97Å; K110-I114 HydrophobicContact CG-CG1 4.5Å; K110-I114 WeakPolarHBondContact O-CD1 3.33Å; K110-I114 VanDerWaalsContact O-CG1 3.27Å; K110-I114 WeakPolarHBondContact O-CG1 3.41Å; K110-I114 PolarHBondContact O-N 2.99Å; K110-D156 WeakPolarHBondContact CE-OD2 3.46Å; K110-D156 IonicContact NZ-OD2 2.74Å; K110-D156 PolarHBondContact NZ-OD2 3.03Å
111F95.4Very high94.5Very high18 Ų1856.3 Ų56.38%0.07930%0.299CS..Hα-helixtrans-57.3-52.6174.4-176.8-87.9000111.2I58 P68 F70 I100 S107 V108 K109 L113 I114 L115I58-F111 HydrophobicContact CD1-CZ 4.31Å; P68-F111 HydrophobicContact CB-CE2 4.14Å; P68-F111 HydrophobicContact CB-CZ 3.79Å; F70-F111 AromaticContact CD2-CD2 3.34Å; F70-F111 HydrophobicContact CD2-CD2 3.34Å; F70-F111 AromaticContact CD2-CE2 3.52Å; F70-F111 HydrophobicContact CD2-CE2 3.52Å; F70-F111 HydrophobicContact CD2-CG 4.18Å; F70-F111 HydrophobicContact CD2-CZ 4.46Å; F70-F111 HydrophobicContact CE2-CD1 4.37Å; F70-F111 AromaticContact CE2-CD2 3.35Å; F70-F111 HydrophobicContact CE2-CD2 3.35Å; F70-F111 HydrophobicContact CE2-CE1 4.34Å; F70-F111 AromaticContact CE2-CE2 3.32Å; F70-F111 HydrophobicContact CE2-CE2 3.32Å; F70-F111 AromaticContact CE2-CG 3.89Å; F70-F111 HydrophobicContact CE2-CG 3.89Å; F70-F111 AromaticContact CE2-CZ 3.84Å; F70-F111 HydrophobicContact CE2-CZ 3.84Å; F70-F111 HydrophobicContact CG-CD2 4.35Å; F70-F111 HydrophobicContact CG-CE2 4.25Å; F70-F111 HydrophobicContact CZ-CD2 4.36Å; F70-F111 AromaticContact CZ-CE2 3.91Å; F70-F111 HydrophobicContact CZ-CE2 3.91Å; F70-F111 HydrophobicContact CZ-CZ 4.12Å; I100-F111 HydrophobicContact CG2-CB 3.94Å; I100-F111 WeakPolarHBondContact O-CD2 3.39Å; S107-F111 PolarHBondContact O-N 3.12Å; V108-F111 WeakPolarHBondContact O-CB 3.39Å; V108-F111 PolarHBondContact O-N 2.83Å; K109-F111 VanDerWaalsContact C-N 3.34Å; K109-F111 PolarHBondContact O-N 3.39Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.24Å; F111-I114 PolarHBondContact O-N 3.03Å; F111-L115 HydrophobicContact CE1-CD2 4.5Å; F111-L115 PolarHBondContact O-N 2.82Å
112A94.8Very high94.7Very high55 Ų5554.8 Ų54.846%0.45529%0.291SS..Hα-helixtrans-60.3-41.8179.200000112.4V108 K109 L115 K116V108-A112 PolarHBondContact O-N 3.37Å; K109-A112 PolarHBondContact O-N 3.13Å; A112-L115 PolarHBondContact O-N 2.86Å; A112-K116 WeakPolarHBondContact O-CB 3.41Å; A112-K116 PolarHBondContact O-N 3.34Å
113L95.9Very high94.9Very high6 Ų659.5 Ų59.53%0.03131%0.308CS..Hα-helixtrans-65.7-38.8177.7-65.5177.4000112.8K109 K110 F111 K116 I117 L143 F144 V149 I153K109-L113 HydrophobicContact CG-CD1 4.26Å; K109-L113 VanDerWaalsContact O-CG 3.24Å; K109-L113 WeakPolarHBondContact O-CG 3.45Å; K109-L113 PolarHBondContact O-N 2.62Å; K110-L113 PolarHBondContact O-N 3.44Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.24Å; L113-K116 PolarHBondContact O-N 3.49Å; L113-I117 WeakPolarHBondContact O-CG1 3.5Å; L113-I117 PolarHBondContact O-N 3.23Å; L113-L143 HydrophobicContact CD2-CD1 3.88Å; L113-L143 HydrophobicContact CD2-CD2 4.03Å; L113-L143 HydrophobicContact CD2-CG 3.53Å; L113-F144 HydrophobicContact CD2-CD1 3.78Å; L113-F144 HydrophobicContact CD2-CE1 3.87Å; L113-V149 HydrophobicContact CD1-CG1 3.83Å; L113-I153 HydrophobicContact CB-CD1 3.49Å; L113-I153 VanDerWaalsContact CB-CD1 3.49Å; L113-I153 HydrophobicContact CD1-CD1 4.21Å; L113-I153 HydrophobicContact CG-CD1 4.5Å
114I96Very high95Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-62.1-48.6174.4-70.7160000110F70 I72 I100 K110 F111 K116 I117 L118 I153 I157F70-I114 HydrophobicContact CD1-CG2 4.49Å; F70-I114 HydrophobicContact CD2-CB 4.14Å; F70-I114 HydrophobicContact CD2-CD1 4.07Å; F70-I114 HydrophobicContact CD2-CG2 3.84Å; F70-I114 HydrophobicContact CE1-CG2 4.27Å; F70-I114 HydrophobicContact CE2-CB 3.85Å; F70-I114 HydrophobicContact CE2-CG2 3.6Å; F70-I114 HydrophobicContact CG-CG2 4.29Å; F70-I114 HydrophobicContact CZ-CB 4.49Å; F70-I114 HydrophobicContact CZ-CG2 3.84Å; I72-I114 HydrophobicContact CD1-CD1 3.73Å; I100-I114 HydrophobicContact CD1-CD1 3.46Å; I100-I114 VanDerWaalsContact CD1-CD1 3.46Å; I100-I114 HydrophobicContact CG2-CD1 4.32Å; K110-I114 HydrophobicContact CG-CD1 3.97Å; K110-I114 HydrophobicContact CG-CG1 4.5Å; K110-I114 WeakPolarHBondContact O-CD1 3.33Å; K110-I114 VanDerWaalsContact O-CG1 3.27Å; K110-I114 WeakPolarHBondContact O-CG1 3.41Å; K110-I114 PolarHBondContact O-N 2.99Å; F111-I114 PolarHBondContact O-N 3.03Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.31Å; I114-I117 PolarHBondContact O-N 3.42Å; I114-L118 HydrophobicContact CG2-CD1 3.92Å; I114-L118 HydrophobicContact CG2-CG 4.32Å; I114-L118 WeakPolarHBondContact O-CG 3.33Å; I114-L118 PolarHBondContact O-N 3.17Å; I114-I153 HydrophobicContact CB-CG2 4.37Å; I114-I153 HydrophobicContact CG1-CD1 4.48Å; I114-I153 HydrophobicContact CG1-CG1 4.17Å; I114-I153 HydrophobicContact CG1-CG2 3.77Å; I114-I157 HydrophobicContact CG2-CD1 4.49Å; I114-I157 HydrophobicContact CG2-CG1 4.39Å
115L95.6Very high95.1Very high61 Ų6154.3 Ų54.332%0.31928%0.277SS..Hα-helixtrans-60.8-41.3179.4-172.262.8000111.8I55 I58 F70 F111 A112 L118 S119I55-L115 HydrophobicContact CD1-CD1 3.56Å; I58-L115 HydrophobicContact CD1-CD1 4Å; F70-L115 HydrophobicContact CZ-CB 4.43Å; F70-L115 HydrophobicContact CZ-CD1 4.47Å; F111-L115 HydrophobicContact CE1-CD2 4.5Å; F111-L115 PolarHBondContact O-N 2.82Å; A112-L115 PolarHBondContact O-N 2.86Å; L115-L118 PolarHBondContact O-N 3.19Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 2.93Å
116K95.8Very high95.4Very high92 Ų9254.6 Ų54.640%0.427%0.268SS..Hα-helixtrans-60.9-45.3174.7178.760.8175.1-1700111.9A112 L113 I114 S119 M120 L143 F144A112-K116 WeakPolarHBondContact O-CB 3.41Å; A112-K116 PolarHBondContact O-N 3.34Å; L113-K116 PolarHBondContact O-N 3.49Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.31Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-M120 HydrophobicContact CG-CE 4.15Å; K116-M120 WeakPolarHBondContact O-CG 3.37Å; K116-M120 PolarHBondContact O-N 2.79Å; K116-M120 VanDerWaalsContact O-N 3.08Å; K116-L143 HydrophobicContact CG-CD2 4.4Å; K116-F144 HydrophobicContact CG-CZ 4.26Å
117I96.5Very high95.7Very high0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-68.9-40.2178.6-69.7170.8000111.4L113 I114 S119 M120 I121 I136 F144 V150 I153 I154 I157L113-I117 WeakPolarHBondContact O-CG1 3.5Å; L113-I117 PolarHBondContact O-N 3.23Å; I114-I117 PolarHBondContact O-N 3.42Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 2.86Å; I117-M120 HydrophobicContact CB-CE 4.17Å; I117-M120 HydrophobicContact CG1-CE 3.58Å; I117-M120 PolarHBondContact O-N 2.85Å; I117-I121 HydrophobicContact CG2-CD1 3.77Å; I117-I121 HydrophobicContact CG2-CG1 4.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.34Å; I117-I121 PolarHBondContact O-N 2.87Å; I117-I136 HydrophobicContact CG1-CG2 4.35Å; I117-F144 HydrophobicContact CD1-CE1 3.84Å; I117-F144 HydrophobicContact CD1-CZ 4.5Å; I117-F144 HydrophobicContact CG1-CE1 3.94Å; I117-F144 HydrophobicContact CG1-CZ 4.2Å; I117-V150 HydrophobicContact CD1-CG1 4.35Å; I117-I153 HydrophobicContact CB-CG2 4.07Å; I117-I153 HydrophobicContact CD1-CB 3.77Å; I117-I153 HydrophobicContact CD1-CD1 3.99Å; I117-I153 HydrophobicContact CD1-CG2 3.48Å; I117-I153 VanDerWaalsContact CD1-CG2 3.48Å; I117-I153 HydrophobicContact CG1-CG2 4.3Å; I117-I153 HydrophobicContact CG2-CG2 4.27Å; I117-I154 HydrophobicContact CG2-CG1 4.22Å; I117-I157 HydrophobicContact CB-CD1 4.02Å; I117-I157 HydrophobicContact CG2-CD1 3.53Å
118L96.9Very high95.6Very high1 Ų152.3 Ų52.31%0.00527%0.269CS..Hα-helixtrans-57.8-43.8172.5-75.8170.7000111.6I51 I54 F70 I114 L115 M120 I121 Y122 I157 M160 L161I51-L118 HydrophobicContact CG1-CD2 4.21Å; I54-L118 HydrophobicContact CG2-CD1 4.28Å; F70-L118 HydrophobicContact CE1-CD1 4.04Å; F70-L118 HydrophobicContact CZ-CD1 4.18Å; I114-L118 HydrophobicContact CG2-CD1 3.92Å; I114-L118 HydrophobicContact CG2-CG 4.32Å; I114-L118 WeakPolarHBondContact O-CG 3.33Å; I114-L118 PolarHBondContact O-N 3.17Å; L115-L118 PolarHBondContact O-N 3.19Å; L118-M120 VanDerWaalsContact C-N 3.34Å; L118-M120 PolarHBondContact O-N 2.99Å; L118-I121 PolarHBondContact O-N 3.4Å; L118-Y122 WeakPolarHBondContact O-CB 3.5Å; L118-Y122 PolarHBondContact O-N 3.46Å; L118-I157 HydrophobicContact CD2-CD1 4.02Å; L118-I157 HydrophobicContact CD2-CG1 4.1Å; L118-I157 HydrophobicContact CD2-CG2 3.75Å; L118-I157 HydrophobicContact CG-CD1 3.98Å; L118-I157 HydrophobicContact CG-CG1 4.34Å; L118-M160 HydrophobicContact CD1-CE 4.24Å; L118-M160 HydrophobicContact CD2-CE 4.23Å; L118-L161 HydrophobicContact CD2-CD1 4.48Å
119S96.4Very high95.6Very high56 Ų5652.2 Ų52.239%0.39227%0.269SS..Hα-helixtrans-61.5-40.2175.7179.30000112.6L115 K116 I117 K123L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 2.93Å; K116-S119 PolarHBondContact O-N 3.37Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 2.86Å; S119-K123 WeakPolarHBondContact O-CG 3.41Å; S119-K123 PolarHBondContact O-N 3.06Å
120M96.4Very high95.6Very high26 Ų2650.8 Ų50.813%0.12826%0.261CS..Hα-helixtrans-66.8-45.9175.4-68.9-176.4-65.100111.7K116 I117 L118 Y122 K123 L124 I136 T139 F144K116-M120 HydrophobicContact CG-CE 4.15Å; K116-M120 WeakPolarHBondContact O-CG 3.37Å; K116-M120 PolarHBondContact O-N 2.79Å; K116-M120 VanDerWaalsContact O-N 3.08Å; I117-M120 HydrophobicContact CB-CE 4.17Å; I117-M120 HydrophobicContact CG1-CE 3.58Å; I117-M120 PolarHBondContact O-N 2.85Å; L118-M120 VanDerWaalsContact C-N 3.34Å; L118-M120 PolarHBondContact O-N 2.99Å; M120-Y122 VanDerWaalsContact C-N 3.33Å; M120-Y122 PolarHBondContact O-N 2.74Å; M120-K123 PolarHBondContact O-N 3.11Å; M120-L124 VanDerWaalsContact O-CG 3.32Å; M120-L124 WeakPolarHBondContact O-CG 3.42Å; M120-L124 PolarHBondContact O-N 3.08Å; M120-I136 HydrophobicContact CE-CG2 3.58Å; M120-I136 HydrophobicContact SD-CG2 4.41Å; M120-T139 HydrophobicContact SD-CG2 4.3Å; M120-F144 HydrophobicContact CE-CE2 4.47Å; M120-F144 HydrophobicContact CE-CZ 3.79Å
121I97Very high95.6Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-57.3-47.7175.4-70.5166.9000110.3I51 I117 L118 K123 L124 V125 I157 L168 I170I51-I121 HydrophobicContact CD1-CB 4.41Å; I51-I121 HydrophobicContact CD1-CG2 3.73Å; I117-I121 HydrophobicContact CG2-CD1 3.77Å; I117-I121 HydrophobicContact CG2-CG1 4.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.34Å; I117-I121 PolarHBondContact O-N 2.87Å; L118-I121 PolarHBondContact O-N 3.4Å; I121-K123 VanDerWaalsContact C-N 3.31Å; I121-K123 PolarHBondContact O-N 2.8Å; I121-L124 WeakPolarHBondContact O-CB 3.15Å; I121-L124 PolarHBondContact O-N 2.86Å; I121-L124 VanDerWaalsContact O-N 3.14Å; I121-V125 HydrophobicContact CG2-CG2 4.09Å; I121-V125 VanDerWaalsContact O-CG2 3.29Å; I121-V125 WeakPolarHBondContact O-CG2 3.49Å; I121-V125 PolarHBondContact O-N 2.91Å; I121-I157 HydrophobicContact CD1-CD1 4.01Å; I121-I157 HydrophobicContact CD1-CG2 3.91Å; I121-L168 HydrophobicContact CD1-CB 4.25Å; I121-L168 HydrophobicContact CD1-CD1 4.19Å; I121-L168 HydrophobicContact CG1-CB 4.39Å; I121-L168 HydrophobicContact CG2-CB 3.98Å; I121-L168 HydrophobicContact CG2-CD2 4.1Å; I121-I170 HydrophobicContact CD1-CD1 3.85Å; I121-I170 HydrophobicContact CG1-CD1 3.79Å; I121-I170 HydrophobicContact CG1-CG1 4.37Å
122Y96.9Very high95.5Very high61 Ų6149 Ų4924%0.23926%0.259CS..Hα-helixtrans-55.3-47.1178.8-175.3-87.3000111.5L48 I51 E52 L118 M120 V125 Q126L48-Y122 HydrophobicContact CB-CE2 4.25Å; L48-Y122 HydrophobicContact CD2-CD1 4.47Å; L48-Y122 HydrophobicContact CD2-CD2 3.53Å; L48-Y122 HydrophobicContact CD2-CE1 4.46Å; L48-Y122 HydrophobicContact CD2-CE2 3.5Å; L48-Y122 HydrophobicContact CD2-CG 4.04Å; L48-Y122 HydrophobicContact CG-CE2 4.46Å; I51-Y122 HydrophobicContact CB-CD2 4.15Å; I51-Y122 HydrophobicContact CD1-CD2 4.49Å; I51-Y122 HydrophobicContact CG2-CD2 3.9Å; E52-Y122 HydrophobicContact CG-CE2 3.86Å; E52-Y122 PolarHBondContact OE1-OH 3.01Å; E52-Y122 VanDerWaalsContact OE1-OH 3.07Å; L118-Y122 WeakPolarHBondContact O-CB 3.5Å; L118-Y122 PolarHBondContact O-N 3.46Å; M120-Y122 VanDerWaalsContact C-N 3.33Å; M120-Y122 PolarHBondContact O-N 2.74Å; Y122-V125 PolarHBondContact O-N 2.64Å; Y122-Q126 WeakPolarHBondContact O-CB 3.38Å; Y122-Q126 PolarHBondContact O-N 3.37Å
123K96.8Very high95.3Very high132 Ų13248.4 Ų48.457%0.57425%0.245SC*.Hα-helixtrans-63.6-41.5176.7-70.6177.8-178.3-174.10112.8S119 M120 I121 S127S119-K123 WeakPolarHBondContact O-CG 3.41Å; S119-K123 PolarHBondContact O-N 3.06Å; M120-K123 PolarHBondContact O-N 3.11Å; I121-K123 VanDerWaalsContact C-N 3.31Å; I121-K123 PolarHBondContact O-N 2.8Å; K123-S127 WeakPolarHBondContact O-CB 3.48Å; K123-S127 PolarHBondContact O-N 3.28Å; K123-S127 PolarHBondContact O-OG 3.2Å
124L96.8Very high95Very high24 Ų2454.2 Ų54.213%0.12627%0.267CS..Hα-helixtrans-61.6-48.4177.3-71.7173.2000111.2M120 I121 S127 N128 T129 A131 H169M120-L124 VanDerWaalsContact O-CG 3.32Å; M120-L124 WeakPolarHBondContact O-CG 3.42Å; M120-L124 PolarHBondContact O-N 3.08Å; I121-L124 WeakPolarHBondContact O-CB 3.15Å; I121-L124 PolarHBondContact O-N 2.86Å; I121-L124 VanDerWaalsContact O-N 3.14Å; L124-S127 PolarHBondContact O-N 2.82Å; L124-S127 PolarHBondContact O-OG 2.98Å; L124-N128 WeakPolarHBondContact O-CA 3.34Å; L124-N128 PolarHBondContact O-N 2.85Å; L124-T129 CarbonylContact C-O 3.59Å; L124-T129 WeakPolarHBondContact CD2-OG1 3.46Å; L124-T129 PolarHBondContact O-N 3.25Å; L124-T129 VanDerWaalsContact O-O 3.13Å; L124-A131 HydrophobicContact CD1-CB 3.72Å; L124-A131 HydrophobicContact CD2-CB 4.01Å; L124-H169 HydrophobicContact CB-CB 3.95Å; L124-H169 PolarHBondContact O-ND1 2.58Å
125V95.9Very high94.8Very high4 Ų458.1 Ų58.12%0.02429%0.288CS..Hα-helixtrans-65.2-44.8179.4178.70000110.8S44 V47 L48 I121 Y122 S127 N128 H169S44-V125 WeakPolarHBondContact O-CG1 3.44Å; V47-V125 HydrophobicContact CB-CG1 4.36Å; V47-V125 HydrophobicContact CG1-CG1 4.43Å; V47-V125 HydrophobicContact CG1-CG2 3.99Å; L48-V125 HydrophobicContact CD1-CG1 4.29Å; L48-V125 HydrophobicContact CD2-CB 4.02Å; L48-V125 HydrophobicContact CD2-CG1 3.9Å; L48-V125 HydrophobicContact CG-CB 4.44Å; L48-V125 HydrophobicContact CG-CG1 3.76Å; I121-V125 HydrophobicContact CG2-CG2 4.09Å; I121-V125 VanDerWaalsContact O-CG2 3.29Å; I121-V125 WeakPolarHBondContact O-CG2 3.49Å; I121-V125 PolarHBondContact O-N 2.91Å; Y122-V125 PolarHBondContact O-N 2.64Å; V125-S127 PolarHBondContact O-N 3.28Å; V125-N128 PolarHBondContact O-N 3.15Å; V125-H169 HydrophobicContact CG2-CB 4.27Å
126Q96.3Very high94.7Very high125 Ų12555.4 Ų55.458%0.58427%0.274SS*.Hα-helixtrans-62.5-39.8179.4-174.1-179.639.900112.7L48 Y122 N128L48-Q126 HydrophobicContact CD2-CB 4.21Å; Y122-Q126 WeakPolarHBondContact O-CB 3.38Å; Y122-Q126 PolarHBondContact O-N 3.37Å; Q126-N128 VanDerWaalsContact C-N 3.32Å
127S95.9Very high94.5Very high69 Ų6953 Ų5348%0.48326%0.262SS..THydrogen-bonded Turntrans-87-1179.5590000113.9K123 L124 V125 T129K123-S127 WeakPolarHBondContact O-CB 3.48Å; K123-S127 PolarHBondContact O-N 3.28Å; K123-S127 PolarHBondContact O-OG 3.2Å; L124-S127 PolarHBondContact O-N 2.82Å; L124-S127 PolarHBondContact O-OG 2.98Å; V125-S127 PolarHBondContact O-N 3.28Å; S127-T129 PolarHBondContact O-N 2.86Å; S127-T129 PolarHBondContact OG-OG1 3.05Å
128N92.8Very high94.3Very high107 Ų10760.6 Ų60.657%0.57229%0.292SS*.THydrogen-bonded Turntrans5137-170.6-16534.9000113.7L124 V125 Q126 H169L124-N128 WeakPolarHBondContact O-CA 3.34Å; L124-N128 PolarHBondContact O-N 2.85Å; V125-N128 PolarHBondContact O-N 3.15Å; Q126-N128 VanDerWaalsContact C-N 3.32Å; N128-H169 PolarHBondContact OD1-CE1 2.91Å
129T93.6Very high94.1Very high65 Ų6564.6 Ų64.640%0.39932%0.317SS..  trans-106.4163.1175.260.40000110.5L124 S127 H169L124-T129 CarbonylContact C-O 3.59Å; L124-T129 WeakPolarHBondContact CD2-OG1 3.46Å; L124-T129 PolarHBondContact O-N 3.25Å; L124-T129 VanDerWaalsContact O-O 3.13Å; S127-T129 PolarHBondContact O-N 2.86Å; S127-T129 PolarHBondContact OG-OG1 3.05Å; T129-H169 VanDerWaalsContact O-CB 3.29Å; T129-H169 WeakPolarHBondContact O-CB 3.35Å; T129-H169 PolarHBondContact O-ND1 3.04Å
130Y92.6Very high93.7Very high102 Ų10264.9 Ų64.940%0.431%0.314SS..  trans-127147.3-175.8-68.8-96000110.9H169 L171Y130-H169 WeakPolarHBondContact CA-O 3.43Å; Y130-H169 HydrophobicContact CD1-CB 3.88Å; Y130-H169 HydrophobicContact CE1-CB 4.1Å; Y130-H169 AromaticContact CE1-CG 3.88Å; Y130-H169 HydrophobicContact CG-CB 4.4Å; Y130-L171 HydrophobicContact CD1-CD1 4.34Å; Y130-L171 HydrophobicContact CD1-CD2 3.67Å; Y130-L171 HydrophobicContact CD1-CG 3.91Å; Y130-L171 HydrophobicContact CE1-CD2 4.3Å; Y130-L171 HydrophobicContact CG-CD1 4.2Å; Y130-L171 HydrophobicContact CG-CD2 4.34Å; Y130-L171 HydrophobicContact CG-CG 4.23Å
131A93.4Very high93.4Very high14 Ų1466 Ų6612%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-133.7148.8174.500000111.2L124 D135 I136 H169 I170 L171L124-A131 HydrophobicContact CD1-CB 3.72Å; L124-A131 HydrophobicContact CD2-CB 4.01Å; A131-D135 HydrophobicContact CB-CB 4.23Å; A131-I136 HydrophobicContact CB-CG1 4.26Å; A131-H169 PolarHBondContact N-O 3.03Å; A131-H169 VanDerWaalsContact N-O 3.11Å; A131-I170 CarbonylContact O-C 3.47Å; A131-I170 WeakPolarHBondContact O-CA 3.27Å; A131-L171 PolarHBondContact O-N 2.83Å
132T92.3Very high93.1Very high30 Ų3074.4 Ų74.418%0.18436%0.364CS..EExtended strand (participates in β ladder)trans-81.9162.4168.673.50000110.9R134 D135 I136 L171T132-R134 PolarHBondContact O-N 3.03Å; T132-R134 PolarHBondContact OG1-N 2.84Å; T132-D135 WeakPolarHBondContact CA-OD2 3.47Å; T132-D135 VanDerWaalsContact CB-OD2 3.3Å; T132-D135 WeakPolarHBondContact CB-OD2 3.12Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.42Å; T132-D135 PolarHBondContact N-OD2 3.45Å; T132-D135 PolarHBondContact O-N 3.19Å; T132-D135 VanDerWaalsContact O-N 3.11Å; T132-D135 PolarHBondContact OG1-N 2.95Å; T132-D135 PolarHBondContact OG1-OD1 3.21Å; T132-D135 PolarHBondContact OG1-OD2 2.92Å; T132-I136 PolarHBondContact O-N 3.44Å; T132-I136 VanDerWaalsContact O-N 3.09Å; T132-L171 HydrophobicContact CG2-CB 4.42Å
133K90.8Very high92.8Very high41 Ų4174.6 Ų74.618%0.17837%0.368CS..Hα-helixtrans-58.5-29.6173.7-55.4-173.2-64.7149.50112.6Y137 D151 I154 I170K133-Y137 PolarHBondContact O-N 2.71Å; K133-Y137 VanDerWaalsContact O-N 3.11Å; K133-D151 WeakPolarHBondContact CD-OD1 3.09Å; K133-D151 WeakPolarHBondContact CE-OD1 3.38Å; K133-D151 IonicContact NZ-OD1 3.89Å; K133-D151 PolarHBondContact NZ-OD1 3.17Å; K133-D151 IonicContact NZ-OD2 3.32Å; K133-D151 PolarHBondContact NZ-OD2 3.39Å; K133-I154 HydrophobicContact CB-CD1 4.4Å; K133-I154 HydrophobicContact CD-CD1 4.37Å; K133-I154 HydrophobicContact CG-CD1 3.97Å; K133-I170 HydrophobicContact CG-CG2 3.81Å
134R90.3Very high92.5Very high129 Ų12968.5 Ų68.549%0.48734%0.342SS..Hα-helixtrans-73-42.2175.5-76.3-172177.8151.3-0.9111.4T132 I136 Y137 Y138 Q147T132-R134 PolarHBondContact O-N 3.03Å; T132-R134 PolarHBondContact OG1-N 2.84Å; R134-I136 VanDerWaalsContact C-N 3.27Å; R134-I136 PolarHBondContact O-N 3.1Å; R134-Y137 WeakPolarHBondContact O-CB 3.1Å; R134-Y137 PolarHBondContact O-N 2.94Å; R134-Y137 VanDerWaalsContact O-N 3.08Å; R134-Y138 HydrophobicContact CB-CD2 4.22Å; R134-Y138 HydrophobicContact CB-CE2 4.13Å; R134-Y138 WeakPolarHBondContact O-CD2 3.31Å; R134-Y138 PolarHBondContact O-N 2.97Å; R134-Q147 VanDerWaalsContact CG-NE2 3.33Å
135D91.8Very high92.2Very high82 Ų8269.4 Ų69.444%0.43936%0.357SS..Hα-helixtrans-58.7-45176.9-53.6-32.8000110.1A131 T132 Y137 Y138 T139A131-D135 HydrophobicContact CB-CB 4.23Å; T132-D135 WeakPolarHBondContact CA-OD2 3.47Å; T132-D135 VanDerWaalsContact CB-OD2 3.3Å; T132-D135 WeakPolarHBondContact CB-OD2 3.12Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.42Å; T132-D135 PolarHBondContact N-OD2 3.45Å; T132-D135 PolarHBondContact O-N 3.19Å; T132-D135 VanDerWaalsContact O-N 3.11Å; T132-D135 PolarHBondContact OG1-N 2.95Å; T132-D135 PolarHBondContact OG1-OD1 3.21Å; T132-D135 PolarHBondContact OG1-OD2 2.92Å; D135-Y137 PolarHBondContact O-N 3.49Å; D135-Y138 PolarHBondContact O-N 2.86Å; D135-T139 VanDerWaalsContact O-CG2 3.3Å; D135-T139 WeakPolarHBondContact O-CG2 3.46Å; D135-T139 PolarHBondContact O-N 2.76Å; D135-T139 VanDerWaalsContact O-N 3.08Å
136I92.9Very high92Very high3 Ų373.6 Ų73.62%0.01538%0.379CS..Hα-helixtrans-57.6-48.2173.8-65.5173.8000111.1I117 M120 A131 T132 R134 Y138 T139 F144 V150 I154 I170I117-I136 HydrophobicContact CG1-CG2 4.35Å; M120-I136 HydrophobicContact CE-CG2 3.58Å; M120-I136 HydrophobicContact SD-CG2 4.41Å; A131-I136 HydrophobicContact CB-CG1 4.26Å; T132-I136 PolarHBondContact O-N 3.44Å; T132-I136 VanDerWaalsContact O-N 3.09Å; R134-I136 VanDerWaalsContact C-N 3.27Å; R134-I136 PolarHBondContact O-N 3.1Å; I136-Y138 VanDerWaalsContact C-N 3.34Å; I136-Y138 PolarHBondContact O-N 2.76Å; I136-T139 PolarHBondContact O-N 2.81Å; I136-T139 PolarHBondContact O-OG1 2.88Å; I136-F144 WeakPolarHBondContact O-CE2 3.34Å; I136-V150 HydrophobicContact CB-CG1 4.16Å; I136-V150 HydrophobicContact CG2-CG1 3.66Å; I136-I154 HydrophobicContact CD1-CD1 4.03Å; I136-I170 HydrophobicContact CD1-CD1 3.69Å; I136-I170 HydrophobicContact CD1-CG1 3.87Å; I136-I170 HydrophobicContact CD1-CG2 4.3Å
137Y92.8Very high91.6Very high42 Ų4270.4 Ų70.417%0.16536%0.364CS..Hα-helixtrans-60.6-40.8178.4172-107.1000112.8K133 R134 D135 T139 D140 S141 F144 G145 Q147 V150K133-Y137 PolarHBondContact O-N 2.71Å; K133-Y137 VanDerWaalsContact O-N 3.11Å; R134-Y137 WeakPolarHBondContact O-CB 3.1Å; R134-Y137 PolarHBondContact O-N 2.94Å; R134-Y137 VanDerWaalsContact O-N 3.08Å; D135-Y137 PolarHBondContact O-N 3.49Å; Y137-T139 VanDerWaalsContact C-N 3.31Å; Y137-T139 PolarHBondContact O-N 2.95Å; Y137-D140 CarbonylContact O-C 3.54Å; Y137-D140 PolarHBondContact O-N 2.77Å; Y137-S141 WeakPolarHBondContact O-CA 3.38Å; Y137-S141 PolarHBondContact O-N 2.67Å; Y137-F144 HydrophobicContact CD2-CB 3.83Å; Y137-F144 HydrophobicContact CE2-CB 4.09Å; Y137-G145 WeakPolarHBondContact CE2-O 3.45Å; Y137-G145 PolarHBondContact OH-O 3.19Å; Y137-Q147 HydrophobicContact CD2-CB 4.45Å; Y137-Q147 HydrophobicContact CG-CB 4.42Å; Y137-V150 HydrophobicContact CD2-CG2 4.22Å
138Y92.3Very high91.4Very high159 Ų15970.9 Ų70.962%0.62436%0.364SS*.Hα-helixtrans-77.2-13.6-178.7-72.8-61.2000114.1R134 D135 I136 D140R134-Y138 HydrophobicContact CB-CD2 4.22Å; R134-Y138 HydrophobicContact CB-CE2 4.13Å; R134-Y138 WeakPolarHBondContact O-CD2 3.31Å; R134-Y138 PolarHBondContact O-N 2.97Å; D135-Y138 PolarHBondContact O-N 2.86Å; I136-Y138 VanDerWaalsContact C-N 3.34Å; I136-Y138 PolarHBondContact O-N 2.76Å; Y138-D140 PolarHBondContact O-N 3.25Å
139T91.3Very high91.3Very high85 Ų8568.2 Ų68.252%0.52135%0.352SS..Hα-helixtrans-59-32.2170.963.80000112.6M120 D135 I136 Y137M120-T139 HydrophobicContact SD-CG2 4.3Å; D135-T139 VanDerWaalsContact O-CG2 3.3Å; D135-T139 WeakPolarHBondContact O-CG2 3.46Å; D135-T139 PolarHBondContact O-N 2.76Å; D135-T139 VanDerWaalsContact O-N 3.08Å; I136-T139 PolarHBondContact O-N 2.81Å; I136-T139 PolarHBondContact O-OG1 2.88Å; Y137-T139 VanDerWaalsContact C-N 3.31Å; Y137-T139 PolarHBondContact O-N 2.95Å
140D89.1Confident91.3Very high62 Ų6265.1 Ų65.133%0.33233%0.333SS..THydrogen-bonded Turntrans-160.176174.8-165.2-23.9000111.2Y137 Y138 Q142 L143 F144Y137-D140 CarbonylContact O-C 3.54Å; Y137-D140 PolarHBondContact O-N 2.77Å; Y138-D140 PolarHBondContact O-N 3.25Å; D140-Q142 PolarHBondContact O-N 3.38Å; D140-L143 HydrophobicContact CB-CB 3.9Å; D140-L143 HydrophobicContact CB-CD2 4.35Å; D140-L143 PolarHBondContact O-N 3.48Å; D140-L143 WeakPolarHBondContact OD1-CB 2.98Å; D140-L143 PolarHBondContact OD1-N 3.34Å; D140-L143 WeakPolarHBondContact OD2-CB 3.47Å; D140-F144 HydrophobicContact CB-CD2 4.44Å; D140-F144 HydrophobicContact CB-CE2 4.21Å; D140-F144 WeakPolarHBondContact O-CD2 3.43Å; D140-F144 PolarHBondContact O-N 3.02Å; D140-F144 VanDerWaalsContact O-N 3.11Å
141S90.6Very high91.2Very high49 Ų4962.1 Ų62.134%0.34332%0.324SS..Hα-helixtrans-63.5-29.2-175.259.40000113.1Y137 G145Y137-S141 WeakPolarHBondContact O-CA 3.38Å; Y137-S141 PolarHBondContact O-N 2.67Å; S141-G145 WeakPolarHBondContact O-CA 3.47Å; S141-G145 PolarHBondContact O-N 2.68Å
142Q90.1Very high91.1Very high178 Ų17864.6 Ų64.683%0.83234%0.335SS*.Hα-helixtrans-69.7-43.4176.7-67.4-171.5-900111.4D140D140-Q142 PolarHBondContact O-N 3.38Å
143L90.6Very high91.2Very high64 Ų6463.2 Ų63.234%0.33533%0.327SS..Hα-helixtrans-63.9-46.6177.2178.264000111.9L113 K116 D140L113-L143 HydrophobicContact CD2-CD1 3.88Å; L113-L143 HydrophobicContact CD2-CD2 4.03Å; L113-L143 HydrophobicContact CD2-CG 3.53Å; K116-L143 HydrophobicContact CG-CD2 4.4Å; D140-L143 HydrophobicContact CB-CB 3.9Å; D140-L143 HydrophobicContact CB-CD2 4.35Å; D140-L143 PolarHBondContact O-N 3.48Å; D140-L143 WeakPolarHBondContact OD1-CB 2.98Å; D140-L143 PolarHBondContact OD1-N 3.34Å; D140-L143 WeakPolarHBondContact OD2-CB 3.47Å
144F90.4Very high91.3Very high4 Ų461.3 Ų61.32%0.01832%0.319CS..Hα-helixtrans-75.9-31-178.3-65.6-59.6000113.3L113 K116 I117 M120 I136 Y137 D140 N146 V150L113-F144 HydrophobicContact CD2-CD1 3.78Å; L113-F144 HydrophobicContact CD2-CE1 3.87Å; K116-F144 HydrophobicContact CG-CZ 4.26Å; I117-F144 HydrophobicContact CD1-CE1 3.84Å; I117-F144 HydrophobicContact CD1-CZ 4.5Å; I117-F144 HydrophobicContact CG1-CE1 3.94Å; I117-F144 HydrophobicContact CG1-CZ 4.2Å; M120-F144 HydrophobicContact CE-CE2 4.47Å; M120-F144 HydrophobicContact CE-CZ 3.79Å; I136-F144 WeakPolarHBondContact O-CE2 3.34Å; Y137-F144 HydrophobicContact CD2-CB 3.83Å; Y137-F144 HydrophobicContact CE2-CB 4.09Å; D140-F144 HydrophobicContact CB-CD2 4.44Å; D140-F144 HydrophobicContact CB-CE2 4.21Å; D140-F144 WeakPolarHBondContact O-CD2 3.43Å; D140-F144 PolarHBondContact O-N 3.02Å; D140-F144 VanDerWaalsContact O-N 3.11Å; F144-N146 PolarHBondContact O-N 3.01Å; F144-V150 HydrophobicContact CB-CG2 3.85Å; F144-V150 HydrophobicContact CD1-CG2 3.6Å; F144-V150 HydrophobicContact CD2-CG2 4.09Å; F144-V150 HydrophobicContact CE1-CG2 4.22Å; F144-V150 HydrophobicContact CG-CG2 3.57Å
145G91.6Very high91.3Very high44 Ų4456 Ų5645%0.45430%0.3SS..  trans70.7-71.6-176.500000112.6Y137 S141Y137-G145 WeakPolarHBondContact CE2-O 3.45Å; Y137-G145 PolarHBondContact OH-O 3.19Å; S141-G145 WeakPolarHBondContact O-CA 3.47Å; S141-G145 PolarHBondContact O-N 2.68Å
146N90.3Very high91.3Very high91 Ų9152.1 Ų52.149%0.48728%0.279SS..SBendtrans-121.3137.6-176.2-173.1-40.4000111.4F144 T148 V149F144-N146 PolarHBondContact O-N 3.01Å; N146-T148 PolarHBondContact O-N 3.21Å; N146-T148 VanDerWaalsContact O-N 3.1Å; N146-T148 WeakPolarHBondContact OD1-CB 3.19Å; N146-T148 PolarHBondContact OD1-N 3.21Å; N146-T148 PolarHBondContact OD1-OG1 2.79Å; N146-V149 HydrophobicContact CB-CG2 4.4Å; N146-V149 VanDerWaalsContact O-CB 3.28Å; N146-V149 WeakPolarHBondContact O-CB 3.33Å; N146-V149 PolarHBondContact O-N 2.83Å
147Q89.4Confident91.3Very high58 Ų5852 Ų5227%0.27128%0.278SS..Hα-helixtrans-53-32.3176.1-171.51772.800113.3R134 Y137 V149 V150 D151R134-Q147 VanDerWaalsContact CG-NE2 3.33Å; Y137-Q147 HydrophobicContact CD2-CB 4.45Å; Y137-Q147 HydrophobicContact CG-CB 4.42Å; Q147-V149 PolarHBondContact O-N 3.43Å; Q147-V150 WeakPolarHBondContact O-CB 3.49Å; Q147-V150 PolarHBondContact O-N 3.17Å; Q147-V150 VanDerWaalsContact O-N 3.13Å; Q147-D151 PolarHBondContact O-N 3.41Å
148T90.3Very high91.2Very high79 Ų7950 Ų5049%0.48527%0.271SS..Hα-helixtrans-59.5-29.6176.4-47.30000112.2N146 N152N146-T148 PolarHBondContact O-N 3.21Å; N146-T148 VanDerWaalsContact O-N 3.1Å; N146-T148 WeakPolarHBondContact OD1-CB 3.19Å; N146-T148 PolarHBondContact OD1-N 3.21Å; N146-T148 PolarHBondContact OD1-OG1 2.79Å; T148-N152 WeakPolarHBondContact O-CB 3.4Å; T148-N152 VanDerWaalsContact O-CG 3.3Å; T148-N152 PolarHBondContact O-N 3.18Å; T148-N152 PolarHBondContact O-ND2 3.03Å; T148-N152 VanDerWaalsContact O-ND2 3.07Å
149V91.9Very high91Very high51 Ų5142.5 Ų42.531%0.30924%0.242SC..Hα-helixtrans-67.6-47.4176.21790000110.3L113 N146 Q147 N152 I153L113-V149 HydrophobicContact CD1-CG1 3.83Å; N146-V149 HydrophobicContact CB-CG2 4.4Å; N146-V149 VanDerWaalsContact O-CB 3.28Å; N146-V149 WeakPolarHBondContact O-CB 3.33Å; N146-V149 PolarHBondContact O-N 2.83Å; Q147-V149 PolarHBondContact O-N 3.43Å; V149-N152 PolarHBondContact O-N 2.99Å; V149-I153 HydrophobicContact CG1-CD1 3.86Å; V149-I153 WeakPolarHBondContact O-CG1 3.4Å; V149-I153 PolarHBondContact O-N 2.98Å
150V93.2Very high91Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-60.4-48.6176.2176.10000110.3I117 I136 Y137 F144 Q147 N152 I153 I154I117-V150 HydrophobicContact CD1-CG1 4.35Å; I136-V150 HydrophobicContact CB-CG1 4.16Å; I136-V150 HydrophobicContact CG2-CG1 3.66Å; Y137-V150 HydrophobicContact CD2-CG2 4.22Å; F144-V150 HydrophobicContact CB-CG2 3.85Å; F144-V150 HydrophobicContact CD1-CG2 3.6Å; F144-V150 HydrophobicContact CD2-CG2 4.09Å; F144-V150 HydrophobicContact CE1-CG2 4.22Å; F144-V150 HydrophobicContact CG-CG2 3.57Å; Q147-V150 WeakPolarHBondContact O-CB 3.49Å; Q147-V150 PolarHBondContact O-N 3.17Å; Q147-V150 VanDerWaalsContact O-N 3.13Å; V150-N152 VanDerWaalsContact C-N 3.27Å; V150-N152 PolarHBondContact O-N 3.28Å; V150-I153 PolarHBondContact O-N 3.43Å; V150-I154 HydrophobicContact CG1-CD1 3.52Å; V150-I154 HydrophobicContact CG1-CG1 4.32Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.42Å; V150-I154 PolarHBondContact O-N 3.48Å
151D90.3Very high91.1Very high39 Ų3938.2 Ų38.221%0.20922%0.215CC..Hα-helixtrans-55.4-42.2176.4-80.97.6000112.2K133 Q147 N155K133-D151 WeakPolarHBondContact CD-OD1 3.09Å; K133-D151 WeakPolarHBondContact CE-OD1 3.38Å; K133-D151 IonicContact NZ-OD1 3.89Å; K133-D151 PolarHBondContact NZ-OD1 3.17Å; K133-D151 IonicContact NZ-OD2 3.32Å; K133-D151 PolarHBondContact NZ-OD2 3.39Å; Q147-D151 PolarHBondContact O-N 3.41Å; D151-N155 PolarHBondContact O-N 2.79Å; D151-N155 PolarHBondContact O-ND2 3.25Å
152N90.9Very high91Very high67 Ų6740.9 Ų40.936%0.35822%0.22SC..Hα-helixtrans-71.7-39.3179.8-80.5-37.9000113R75 T148 V149 V150 N155 D156R75-N152 VanDerWaalsContact NH2-CA 3.25Å; R75-N152 PolarHBondContact NH2-O 3.4Å; R75-N152 PolarHBondContact NH2-OD1 3.14Å; T148-N152 WeakPolarHBondContact O-CB 3.4Å; T148-N152 VanDerWaalsContact O-CG 3.3Å; T148-N152 PolarHBondContact O-N 3.18Å; T148-N152 PolarHBondContact O-ND2 3.03Å; T148-N152 VanDerWaalsContact O-ND2 3.07Å; V149-N152 PolarHBondContact O-N 2.99Å; V150-N152 VanDerWaalsContact C-N 3.27Å; V150-N152 PolarHBondContact O-N 3.28Å; N152-N155 PolarHBondContact O-N 3.32Å; N152-D156 WeakPolarHBondContact O-CB 3.15Å; N152-D156 PolarHBondContact O-N 2.84Å
153I93.8Very high91Very high1 Ų132.8 Ų32.81%0.00518%0.182CC..Hα-helixtrans-67.5-42.3177.7-69.5168.5000110.8L113 I114 I117 V149 V150 N155 D156 I157L113-I153 HydrophobicContact CB-CD1 3.49Å; L113-I153 VanDerWaalsContact CB-CD1 3.49Å; L113-I153 HydrophobicContact CD1-CD1 4.21Å; L113-I153 HydrophobicContact CG-CD1 4.5Å; I114-I153 HydrophobicContact CB-CG2 4.37Å; I114-I153 HydrophobicContact CG1-CD1 4.48Å; I114-I153 HydrophobicContact CG1-CG1 4.17Å; I114-I153 HydrophobicContact CG1-CG2 3.77Å; I117-I153 HydrophobicContact CB-CG2 4.07Å; I117-I153 HydrophobicContact CD1-CB 3.77Å; I117-I153 HydrophobicContact CD1-CD1 3.99Å; I117-I153 HydrophobicContact CD1-CG2 3.48Å; I117-I153 VanDerWaalsContact CD1-CG2 3.48Å; I117-I153 HydrophobicContact CG1-CG2 4.3Å; I117-I153 HydrophobicContact CG2-CG2 4.27Å; V149-I153 HydrophobicContact CG1-CD1 3.86Å; V149-I153 WeakPolarHBondContact O-CG1 3.4Å; V149-I153 PolarHBondContact O-N 2.98Å; V150-I153 PolarHBondContact O-N 3.43Å; I153-N155 VanDerWaalsContact C-N 3.27Å; I153-N155 PolarHBondContact O-N 2.69Å; I153-D156 WeakPolarHBondContact O-CB 3.5Å; I153-D156 PolarHBondContact O-N 3Å; I153-D156 VanDerWaalsContact O-N 3.14Å; I153-I157 HydrophobicContact CG2-CD1 3.66Å; I153-I157 HydrophobicContact CG2-CG1 4.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.31Å; I153-I157 PolarHBondContact O-N 3.45Å
154I93.3Very high90.8Very high1 Ų130 Ų301%0.00517%0.168CC..Hα-helixtrans-60.4-40.4177.7-69.6165.4000111I117 K133 I136 V150 I157 S158 R165 I170I117-I154 HydrophobicContact CG2-CG1 4.22Å; K133-I154 HydrophobicContact CB-CD1 4.4Å; K133-I154 HydrophobicContact CD-CD1 4.37Å; K133-I154 HydrophobicContact CG-CD1 3.97Å; I136-I154 HydrophobicContact CD1-CD1 4.03Å; V150-I154 HydrophobicContact CG1-CD1 3.52Å; V150-I154 HydrophobicContact CG1-CG1 4.32Å; V150-I154 VanDerWaalsContact O-CG1 3.27Å; V150-I154 WeakPolarHBondContact O-CG1 3.42Å; V150-I154 PolarHBondContact O-N 3.48Å; I154-I157 PolarHBondContact O-N 2.75Å; I154-S158 WeakPolarHBondContact O-CB 3.38Å; I154-S158 PolarHBondContact O-N 2.9Å; I154-R165 HydrophobicContact CG2-CG 4.33Å; I154-I170 HydrophobicContact CB-CD1 4.34Å; I154-I170 HydrophobicContact CD1-CD1 3.82Å; I154-I170 HydrophobicContact CD1-CG2 4.17Å; I154-I170 HydrophobicContact CG1-CD1 3.69Å; I154-I170 HydrophobicContact CG2-CD1 3.75Å; I154-I170 HydrophobicContact CG2-CG2 4.39Å
155N90.1Very high90.7Very high16 Ų1630.4 Ų30.49%0.08617%0.17CC..Hα-helixtrans-66.1-42.7174.1-79.6-51.8000113R75 D151 N152 I153 I157 S158 C159 R165R75-N155 VanDerWaalsContact NH1-CB 3.3Å; D151-N155 PolarHBondContact O-N 2.79Å; D151-N155 PolarHBondContact O-ND2 3.25Å; N152-N155 PolarHBondContact O-N 3.32Å; I153-N155 VanDerWaalsContact C-N 3.27Å; I153-N155 PolarHBondContact O-N 2.69Å; N155-I157 VanDerWaalsContact C-N 3.29Å; N155-I157 PolarHBondContact O-N 2.83Å; N155-S158 PolarHBondContact O-N 2.98Å; N155-C159 WeakPolarHBondContact O-CB 3.38Å; N155-C159 PolarHBondContact O-N 3.14Å; N155-R165 PolarHBondContact ND2-NH2 2.96Å; N155-R165 PolarHBondContact OD1-NE 2.92Å; N155-R165 PolarHBondContact OD1-NH2 3.21Å
156D91.8Very high90.5Very high1 Ų130.9 Ų30.91%0.00516%0.158CC..Hα-helixtrans-60.5-42.1176.2-72.7-1.3000109.9I72 R75 K110 N152 I153 C159 M160I72-D156 HydrophobicContact CD1-CB 4.02Å; I72-D156 HydrophobicContact CG2-CB 3.76Å; R75-D156 IonicContact CZ-OD1 2.74Å; R75-D156 IonicContact NE-OD1 3.99Å; R75-D156 PolarHBondContact NE-OD1 3.29Å; R75-D156 IonicContact NH2-OD1 3.37Å; R75-D156 PolarHBondContact NH2-OD1 3.05Å; K110-D156 WeakPolarHBondContact CE-OD2 3.46Å; K110-D156 IonicContact NZ-OD2 2.74Å; K110-D156 PolarHBondContact NZ-OD2 3.03Å; N152-D156 WeakPolarHBondContact O-CB 3.15Å; N152-D156 PolarHBondContact O-N 2.84Å; I153-D156 WeakPolarHBondContact O-CB 3.5Å; I153-D156 PolarHBondContact O-N 3Å; I153-D156 VanDerWaalsContact O-N 3.14Å; D156-C159 PolarHBondContact O-N 2.83Å; D156-M160 VanDerWaalsContact O-CB 3.23Å; D156-M160 WeakPolarHBondContact O-CB 3.44Å; D156-M160 PolarHBondContact O-N 2.94Å
157I93.5Very high90.5Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-66.6-47.2176.6-68.6167.9000111.8I114 I117 L118 I121 I153 I154 N155 C159 M160 L161 L168I114-I157 HydrophobicContact CG2-CD1 4.49Å; I114-I157 HydrophobicContact CG2-CG1 4.39Å; I117-I157 HydrophobicContact CB-CD1 4.02Å; I117-I157 HydrophobicContact CG2-CD1 3.53Å; L118-I157 HydrophobicContact CD2-CD1 4.02Å; L118-I157 HydrophobicContact CD2-CG1 4.1Å; L118-I157 HydrophobicContact CD2-CG2 3.75Å; L118-I157 HydrophobicContact CG-CD1 3.98Å; L118-I157 HydrophobicContact CG-CG1 4.34Å; I121-I157 HydrophobicContact CD1-CD1 4.01Å; I121-I157 HydrophobicContact CD1-CG2 3.91Å; I153-I157 HydrophobicContact CG2-CD1 3.66Å; I153-I157 HydrophobicContact CG2-CG1 4.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.31Å; I153-I157 PolarHBondContact O-N 3.45Å; I154-I157 PolarHBondContact O-N 2.75Å; N155-I157 VanDerWaalsContact C-N 3.29Å; N155-I157 PolarHBondContact O-N 2.83Å; I157-C159 PolarHBondContact O-N 3.36Å; I157-M160 HydrophobicContact CG1-CE 4.34Å; I157-M160 PolarHBondContact O-N 3.42Å; I157-M160 VanDerWaalsContact O-N 3.16Å; I157-L161 HydrophobicContact CG2-CD1 3.7Å; I157-L161 HydrophobicContact CG2-CG 4.1Å; I157-L161 WeakPolarHBondContact O-CB 3.33Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 2.87Å; I157-L168 HydrophobicContact CG2-CD1 4.02Å; I157-L168 HydrophobicContact CG2-CD2 4.29Å
158S90.6Very high90.6Very high1 Ų124.2 Ų24.21%0.00713%0.125CC..Hα-helixtrans-55.6-41.6176.2169.30000111.3I154 N155 K162 V163 F298I154-S158 WeakPolarHBondContact O-CB 3.38Å; I154-S158 PolarHBondContact O-N 2.9Å; N155-S158 PolarHBondContact O-N 2.98Å; S158-K162 WeakPolarHBondContact O-CA 3.48Å; S158-K162 PolarHBondContact O-N 3.42Å; S158-V163 WeakPolarHBondContact CB-O 3.41Å; S158-V163 PolarHBondContact O-N 3.3Å; S158-V163 VanDerWaalsContact O-N 3.08Å; S158-V163 PolarHBondContact OG-O 3.34Å; S158-F298 WeakPolarHBondContact O-CE1 3.33Å
159C88.9Confident90.7Very high2 Ų220.8 Ų20.81%0.01410%0.103CC..Hα-helixtrans-71.4-40.9176.1-168.80000113.3D73 M91 N155 D156 I157 K162 F298D73-C159 PolarHBondContact OD2-SG 3.46Å; M91-C159 WeakPolarHBondContact CE-SG 3.44Å; N155-C159 WeakPolarHBondContact O-CB 3.38Å; N155-C159 PolarHBondContact O-N 3.14Å; D156-C159 PolarHBondContact O-N 2.83Å; I157-C159 PolarHBondContact O-N 3.36Å; C159-K162 WeakPolarHBondContact O-CD 3.49Å; C159-K162 WeakPolarHBondContact O-CE 3.36Å; C159-K162 PolarHBondContact O-N 2.9Å; C159-K162 PolarHBondContact O-NZ 3.38Å; C159-K162 VanDerWaalsContact O-NZ 3.17Å; C159-F298 HydrophobicContact CB-CD1 4.5Å; C159-F298 HydrophobicContact CB-CG 4.35Å
160M90.9Very high90.7Very high39 Ų3918.6 Ų18.619%0.1929%0.09CC..Hα-helixtrans-64.3-42179.2-177.9179.464.300111.6I54 F70 L118 D156 I157 K162I54-M160 HydrophobicContact CD1-CE 3.57Å; I54-M160 HydrophobicContact CD1-CG 4.48Å; I54-M160 HydrophobicContact CD1-SD 4.15Å; F70-M160 HydrophobicContact CD1-SD 4.25Å; L118-M160 HydrophobicContact CD1-CE 4.24Å; L118-M160 HydrophobicContact CD2-CE 4.23Å; D156-M160 VanDerWaalsContact O-CB 3.23Å; D156-M160 WeakPolarHBondContact O-CB 3.44Å; D156-M160 PolarHBondContact O-N 2.94Å; I157-M160 HydrophobicContact CG1-CE 4.34Å; I157-M160 PolarHBondContact O-N 3.42Å; I157-M160 VanDerWaalsContact O-N 3.16Å; M160-K162 VanDerWaalsContact C-N 3.33Å
161L90.8Very high90.5Very high18 Ų1820.8 Ų20.89%0.09410%0.101CC..Hα-helixtrans-83.8-9.6178.1-60.6-175.4000113.2I51 I54 L118 I157 V163 L168I51-L161 HydrophobicContact CD1-CD1 4.45Å; I51-L161 HydrophobicContact CG1-CD1 3.94Å; I54-L161 HydrophobicContact CD1-CD2 3.38Å; L118-L161 HydrophobicContact CD2-CD1 4.48Å; I157-L161 HydrophobicContact CG2-CD1 3.7Å; I157-L161 HydrophobicContact CG2-CG 4.1Å; I157-L161 WeakPolarHBondContact O-CB 3.33Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 2.87Å; L161-V163 HydrophobicContact CB-CG1 4.42Å; L161-V163 HydrophobicContact CB-CG2 3.93Å; L161-V163 WeakPolarHBondContact O-CG1 3.49Å; L161-V163 PolarHBondContact O-N 3.39Å; L161-L168 HydrophobicContact CD1-CD2 3.75Å
162K89.2Confident90.2Very high105 Ų10519.4 Ų19.446%0.45710%0.095SC..THydrogen-bonded Turntrans57.431.2-174.6-53.2-67.8169.6-164.30114.3D73 S158 C159 M160 F298D73-K162 IonicContact OD2-NZ 2.64Å; D73-K162 PolarHBondContact OD2-NZ 3.32Å; S158-K162 WeakPolarHBondContact O-CA 3.48Å; S158-K162 PolarHBondContact O-N 3.42Å; C159-K162 WeakPolarHBondContact O-CD 3.49Å; C159-K162 WeakPolarHBondContact O-CE 3.36Å; C159-K162 PolarHBondContact O-N 2.9Å; C159-K162 PolarHBondContact O-NZ 3.38Å; C159-K162 VanDerWaalsContact O-NZ 3.17Å; M160-K162 VanDerWaalsContact C-N 3.33Å; K162-F298 VanDerWaalsContact CA-CZ 3.44Å; K162-F298 HydrophobicContact CB-CZ 4.14Å; K162-F298 HydrophobicContact CD-CE2 3.77Å; K162-F298 HydrophobicContact CD-CZ 4.15Å
163V89.9Confident89.9Confident7 Ų720 Ų204%0.04210%0.101CC..BIsolated β-bridgetrans-119.4153.3179.9-54.30000111.8A42 V47 S158 L161 L168A42-V163 HydrophobicContact CB-CB 4.14Å; A42-V163 HydrophobicContact CB-CG1 3.45Å; A42-V163 VanDerWaalsContact CB-CG1 3.45Å; V47-V163 HydrophobicContact CG2-CG1 4.28Å; V47-V163 HydrophobicContact CG2-CG2 4.45Å; S158-V163 WeakPolarHBondContact CB-O 3.41Å; S158-V163 PolarHBondContact O-N 3.3Å; S158-V163 VanDerWaalsContact O-N 3.08Å; S158-V163 PolarHBondContact OG-O 3.34Å; L161-V163 HydrophobicContact CB-CG1 4.42Å; L161-V163 HydrophobicContact CB-CG2 3.93Å; L161-V163 WeakPolarHBondContact O-CG1 3.49Å; L161-V163 PolarHBondContact O-N 3.39Å; V163-L168 HydrophobicContact CG2-CD2 3.39Å; V163-L168 HydrophobicContact CG2-CG 3.96Å
164S86.4Confident89.6Confident6 Ų621.5 Ų21.54%0.04211%0.111CC..  trans-62.8153.8174.377.20000111.5R166 S167 L168S164-R166 PolarHBondContact O-N 3.36Å; S164-R166 VanDerWaalsContact O-N 3.12Å; S164-S167 WeakPolarHBondContact O-CB 3.32Å; S164-S167 PolarHBondContact O-N 2.6Å; S164-S167 PolarHBondContact OG-N 3.26Å; S164-S167 PolarHBondContact OG-OG 3.35Å; S164-L168 PolarHBondContact O-N 3.01Å
165R87.6Confident89.6Confident12 Ų1225.7 Ų25.75%0.04513%0.13CC..THydrogen-bonded Turntrans-57.4-30.7176.3-66.5-178.8-171.3161.25.6113.1I154 N155 L168 I170 M296 E299I154-R165 HydrophobicContact CG2-CG 4.33Å; N155-R165 PolarHBondContact ND2-NH2 2.96Å; N155-R165 PolarHBondContact OD1-NE 2.92Å; N155-R165 PolarHBondContact OD1-NH2 3.21Å; R165-L168 WeakPolarHBondContact O-CB 3.32Å; R165-L168 PolarHBondContact O-N 3.35Å; R165-I170 PolarHBondContact O-N 3.45Å; R165-M296 VanDerWaalsContact NH2-CG 3.3Å; R165-M296 PolarHBondContact NH2-SD 2.97Å; R165-E299 IonicContact CZ-OE1 3.94Å; R165-E299 PolarHBondContact N-OE2 2.96Å; R165-E299 IonicContact NE-OE1 3.42Å; R165-E299 PolarHBondContact NE-OE1 3.42Å
166R86.7Confident89.9Confident55 Ų5525 Ų2521%0.20813%0.126CC..THydrogen-bonded Turntrans-67.6-38.5177.9-166.9-165177.8118.5-1.8112.1S164 L168 H169 E187 N206S164-R166 PolarHBondContact O-N 3.36Å; S164-R166 VanDerWaalsContact O-N 3.12Å; R166-L168 PolarHBondContact O-N 2.98Å; R166-H169 WeakPolarHBondContact O-CA 3.49Å; R166-H169 PolarHBondContact O-N 3.32Å; R166-E187 IonicContact NH2-OE2 2.82Å; R166-N206 PolarHBondContact NH1-OD1 2.83Å; R166-N206 PolarHBondContact NH2-ND2 3.15Å; R166-N206 PolarHBondContact NH2-OD1 3.15Å
167S90.1Very high90.1Very high9 Ų926 Ų266%0.06313%0.131CC..THydrogen-bonded Turntrans-62.7-22.5174-610000112.2A42 S164 H169A42-S167 PolarHBondContact N-OG 3.34Å; A42-S167 PolarHBondContact O-OG 3.39Å; S164-S167 WeakPolarHBondContact O-CB 3.32Å; S164-S167 PolarHBondContact O-N 2.6Å; S164-S167 PolarHBondContact OG-N 3.26Å; S164-S167 PolarHBondContact OG-OG 3.35Å; S167-H169 PolarHBondContact O-N 3.48Å
168L92.9Very high90.3Very high0 Ų026 Ų260%013%0.131CC..THydrogen-bonded Turntrans-79.32.9170.6-51.3177.5000113.4V47 I121 I157 L161 V163 S164 R165 R166 I170V47-L168 HydrophobicContact CG1-CD2 4.22Å; I121-L168 HydrophobicContact CD1-CB 4.25Å; I121-L168 HydrophobicContact CD1-CD1 4.19Å; I121-L168 HydrophobicContact CG1-CB 4.39Å; I121-L168 HydrophobicContact CG2-CB 3.98Å; I121-L168 HydrophobicContact CG2-CD2 4.1Å; I157-L168 HydrophobicContact CG2-CD1 4.02Å; I157-L168 HydrophobicContact CG2-CD2 4.29Å; L161-L168 HydrophobicContact CD1-CD2 3.75Å; V163-L168 HydrophobicContact CG2-CD2 3.39Å; V163-L168 HydrophobicContact CG2-CG 3.96Å; S164-L168 PolarHBondContact O-N 3.01Å; R165-L168 WeakPolarHBondContact O-CB 3.32Å; R165-L168 PolarHBondContact O-N 3.35Å; R166-L168 PolarHBondContact O-N 2.98Å; L168-I170 HydrophobicContact CB-CD1 4.2Å; L168-I170 HydrophobicContact CB-CG1 4.12Å; L168-I170 PolarHBondContact O-N 3.45Å
169H92.8Very high90.5Very high7 Ų726.1 Ų26.13%0.03213%0.133CC..THydrogen-bonded Turntrans58.327.1-172.7-70-151.9000113.5L124 V125 N128 T129 Y130 A131 R166 S167L124-H169 HydrophobicContact CB-CB 3.95Å; L124-H169 PolarHBondContact O-ND1 2.58Å; V125-H169 HydrophobicContact CG2-CB 4.27Å; N128-H169 PolarHBondContact OD1-CE1 2.91Å; T129-H169 VanDerWaalsContact O-CB 3.29Å; T129-H169 WeakPolarHBondContact O-CB 3.35Å; T129-H169 PolarHBondContact O-ND1 3.04Å; Y130-H169 WeakPolarHBondContact CA-O 3.43Å; Y130-H169 HydrophobicContact CD1-CB 3.88Å; Y130-H169 HydrophobicContact CE1-CB 4.1Å; Y130-H169 AromaticContact CE1-CG 3.88Å; Y130-H169 HydrophobicContact CG-CB 4.4Å; A131-H169 PolarHBondContact N-O 3.03Å; A131-H169 VanDerWaalsContact N-O 3.11Å; R166-H169 WeakPolarHBondContact O-CA 3.49Å; R166-H169 PolarHBondContact O-N 3.32Å; S167-H169 PolarHBondContact O-N 3.48Å
170I92Very high90.8Very high4 Ų426 Ų262%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-101.5113176-60179.3000109.3I121 A131 K133 I136 I154 R165 L168I121-I170 HydrophobicContact CD1-CD1 3.85Å; I121-I170 HydrophobicContact CG1-CD1 3.79Å; I121-I170 HydrophobicContact CG1-CG1 4.37Å; A131-I170 CarbonylContact O-C 3.47Å; A131-I170 WeakPolarHBondContact O-CA 3.27Å; K133-I170 HydrophobicContact CG-CG2 3.81Å; I136-I170 HydrophobicContact CD1-CD1 3.69Å; I136-I170 HydrophobicContact CD1-CG1 3.87Å; I136-I170 HydrophobicContact CD1-CG2 4.3Å; I154-I170 HydrophobicContact CB-CD1 4.34Å; I154-I170 HydrophobicContact CD1-CD1 3.82Å; I154-I170 HydrophobicContact CD1-CG2 4.17Å; I154-I170 HydrophobicContact CG1-CD1 3.69Å; I154-I170 HydrophobicContact CG2-CD1 3.75Å; I154-I170 HydrophobicContact CG2-CG2 4.39Å; R165-I170 PolarHBondContact O-N 3.45Å; L168-I170 HydrophobicContact CB-CD1 4.2Å; L168-I170 HydrophobicContact CB-CG1 4.12Å; L168-I170 PolarHBondContact O-N 3.45Å
171L88.8Confident91Very high46 Ų4625 Ų2524%0.24113%0.127CC..EExtended strand (participates in β ladder)trans-84143.5179-61.1178000111.5Y130 A131 T132Y130-L171 HydrophobicContact CD1-CD1 4.34Å; Y130-L171 HydrophobicContact CD1-CD2 3.67Å; Y130-L171 HydrophobicContact CD1-CG 3.91Å; Y130-L171 HydrophobicContact CE1-CD2 4.3Å; Y130-L171 HydrophobicContact CG-CD1 4.2Å; Y130-L171 HydrophobicContact CG-CD2 4.34Å; Y130-L171 HydrophobicContact CG-CG 4.23Å; A131-L171 PolarHBondContact O-N 2.83Å; T132-L171 HydrophobicContact CG2-CB 4.42Å
172S83.3Confident91.3Very high10 Ų1024.1 Ų24.17%0.0712%0.123CC..PPolyproline II helixtrans-90.4130.5166.1-66.80000109.3S174 L255 N256S172-S174 PolarHBondContact O-N 2.98Å; S172-L255 WeakPolarHBondContact OG-CB 3.01Å; S172-L255 WeakPolarHBondContact OG-CD2 3.19Å; S172-N256 PolarHBondContact O-ND2 2.85Å
173T84.8Confident91.6Very high80 Ų8025.6 Ų25.649%0.49113%0.125SC..PPolyproline II helixtrans-67.3122.4169.6-500000108.5
174S87.4Confident91.9Very high32 Ų3225.5 Ų25.522%0.22412%0.124CC..PPolyproline II helixtrans-82.9130.9175.5-161.30000109.7S172 V203S172-S174 PolarHBondContact O-N 2.98Å; S174-V203 WeakPolarHBondContact CB-O 3.45Å; S174-V203 VanDerWaalsContact OG-CB 3.29Å; S174-V203 WeakPolarHBondContact OG-CB 3.41Å; S174-V203 WeakPolarHBondContact OG-CG1 3.3Å; S174-V203 PolarHBondContact OG-O 3.47Å
175K93.3Very high92.4Very high89 Ų8927 Ų2739%0.38713%0.131SC..  trans-119.1-9.5170.758.4165.2178.9155.10112.5G249 K250 V252 D254K175-G249 WeakPolarHBondContact CE-O 3.48Å; K175-G249 PolarHBondContact NZ-O 3.11Å; K175-K250 HydrophobicContact CD-CB 4.43Å; K175-K250 PolarHBondContact NZ-O 3.46Å; K175-K250 WeakPolarHBondContact O-CD 3.24Å; K175-K250 WeakPolarHBondContact O-CE 3.48Å; K175-V252 VanDerWaalsContact CE-O 3.26Å; K175-V252 WeakPolarHBondContact CE-O 3.34Å; K175-V252 PolarHBondContact NZ-O 3.44Å; K175-D254 HydrophobicContact CG-CB 4.35Å; K175-D254 WeakPolarHBondContact CG-OD2 3.45Å; K175-D254 PolarHBondContact N-OD2 3.27Å
176G95.9Very high92.7Very high1 Ų129 Ų291%0.0114%0.141CC..  trans-68.9157.8-178.300000113.1V203 T248 D254G176-V203 PolarHBondContact O-N 3.45Å; G176-T248 CarbonylContact C-O 3.57Å; G176-T248 WeakPolarHBondContact CA-O 3.29Å; G176-D254 PolarHBondContact N-OD2 3.23Å
177L97Very high92.8Very high23 Ų2331.5 Ų31.512%0.1216%0.155CC..EExtended strand (participates in β ladder)trans-124.3152.8174.9-55.6173.9000110.2A200 I201 F229 I247 T248L177-A200 HydrophobicContact CB-CB 4.02Å; L177-A200 HydrophobicContact CD1-CB 4.18Å; L177-I201 CarbonylContact C-O 3.54Å; L177-I201 WeakPolarHBondContact CA-O 3.38Å; L177-F229 HydrophobicContact CB-CE1 3.83Å; L177-F229 HydrophobicContact CB-CZ 3.96Å; L177-F229 HydrophobicContact CD1-CD1 4.31Å; L177-F229 HydrophobicContact CD1-CE1 4.02Å; L177-I247 WeakPolarHBondContact O-CA 3.21Å; L177-T248 HydrophobicContact CB-CG2 3.8Å; L177-T248 HydrophobicContact CD1-CG2 4.27Å; L177-T248 HydrophobicContact CG-CG2 4.22Å; L177-T248 PolarHBondContact N-O 2.74Å; L177-T248 PolarHBondContact O-N 2.81Å
178I96.5Very high92.8Very high0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-129.2139.2179.4-45.8163.9000108.1L182 C194 I201 V203 I245 M246 I247 L260I178-L182 HydrophobicContact CG2-CD2 4.18Å; I178-C194 HydrophobicContact CG2-CB 4.2Å; I178-I201 PolarHBondContact N-O 3.22Å; I178-I201 PolarHBondContact O-N 3.31Å; I178-V203 HydrophobicContact CD1-CB 4.39Å; I178-V203 HydrophobicContact CD1-CG2 3.89Å; I178-V203 HydrophobicContact CG1-CB 4.43Å; I178-V203 HydrophobicContact CG1-CG2 3.49Å; I178-V203 VanDerWaalsContact CG1-CG2 3.49Å; I178-I245 HydrophobicContact CG2-CG2 4.07Å; I178-M246 WeakPolarHBondContact CA-O 3.36Å; I178-I247 HydrophobicContact CG2-CG1 4.39Å; I178-L260 HydrophobicContact CD1-CD2 3.27Å; I178-L260 HydrophobicContact CG1-CD2 3.57Å
179A96.3Very high92.8Very high4 Ų438.8 Ų38.83%0.03320%0.204CC..EExtended strand (participates in β ladder)trans-146.4146.9167.100000109.4F229 L233 I245 M246A179-F229 HydrophobicContact CB-CZ 4.04Å; A179-L233 HydrophobicContact CB-CD1 4.46Å; A179-L233 HydrophobicContact CB-CD2 3.49Å; A179-L233 VanDerWaalsContact CB-CD2 3.49Å; A179-I245 CarbonylContact O-C 3.58Å; A179-M246 PolarHBondContact N-O 3.42Å; A179-M246 PolarHBondContact O-N 3.43Å
180G95.1Very high92.9Very high0 Ų041.7 Ų41.70%022%0.223CC..EExtended strand (participates in β ladder)trans118.5-167.1176.300000114.3L182 C194 T195 C244G180-L182 VanDerWaalsContact C-N 3.29Å; G180-L182 PolarHBondContact O-N 3.32Å; G180-C194 CarbonylContact C-O 3.58Å; G180-C194 PolarHBondContact N-O 3.25Å; G180-C194 CarbonylContact O-C 3.5Å; G180-C194 WeakPolarHBondContact O-CB 3.24Å; G180-T195 VanDerWaalsContact O-CA 3.29Å; G180-T195 WeakPolarHBondContact O-CA 3.36Å; G180-T195 PolarHBondContact O-N 3.14Å; G180-T195 VanDerWaalsContact O-N 3.15Å; G180-C244 CarbonylContact C-O 3.59Å; G180-C244 VanDerWaalsContact CA-O 3.26Å; G180-C244 WeakPolarHBondContact CA-O 3.17Å
181N95.2Very high93Very high16 Ų1649.9 Ų49.99%0.08626%0.258CS..SBendtrans-65.573.6-171.1-72.581.4000113.8T215 D216 A217 P243 C244N181-T215 VanDerWaalsContact O-CB 3.24Å; N181-T215 WeakPolarHBondContact O-CB 3.23Å; N181-T215 PolarHBondContact O-OG1 3.13Å; N181-D216 VanDerWaalsContact CB-OD1 3.26Å; N181-D216 WeakPolarHBondContact CB-OD1 3.21Å; N181-D216 PolarHBondContact ND2-OD1 2.99Å; N181-D216 PolarHBondContact ND2-OD2 3.23Å; N181-A217 HydrophobicContact CB-CB 4.2Å; N181-P243 HydrophobicContact CB-CB 4.21Å; N181-P243 WeakPolarHBondContact ND2-CB 3.5Å; N181-P243 VanDerWaalsContact OD1-CA 3.31Å; N181-P243 WeakPolarHBondContact OD1-CA 3.43Å; N181-C244 PolarHBondContact N-O 3.04Å; N181-C244 PolarHBondContact OD1-N 3.49Å; N181-C244 PolarHBondContact OD1-O 2.9Å
182L95.7Very high93.3Very high1 Ų148.4 Ų48.41%0.00525%0.251CS..  trans-147.5132179.4-173.165.4000111I178 G180 Y184 C194 L213 I245 L264I178-L182 HydrophobicContact CG2-CD2 4.18Å; G180-L182 VanDerWaalsContact C-N 3.29Å; G180-L182 PolarHBondContact O-N 3.32Å; L182-Y184 HydrophobicContact CD2-CD1 4.23Å; L182-Y184 HydrophobicContact CD2-CE1 4.28Å; L182-Y184 HydrophobicContact CG-CD1 4.18Å; L182-C194 HydrophobicContact CB-CB 4.03Å; L182-C194 WeakPolarHBondContact O-CB 3.4Å; L182-C194 PolarHBondContact O-N 2.83Å; L182-L213 HydrophobicContact CD1-CD1 3.58Å; L182-L213 HydrophobicContact CD1-CG 4.24Å; L182-L213 HydrophobicContact CD2-CD1 4.47Å; L182-L213 HydrophobicContact CG-CD1 4.23Å; L182-I245 HydrophobicContact CB-CD1 3.97Å; L182-I245 HydrophobicContact CB-CG1 4.2Å; L182-I245 HydrophobicContact CD1-CD1 4.16Å; L182-I245 HydrophobicContact CG-CD1 4.47Å; L182-L264 HydrophobicContact CD1-CD2 3.7Å; L182-L264 HydrophobicContact CD2-CD2 4.27Å
183R96Very high93.8Very high136 Ų13652.3 Ų52.351%0.51327%0.271SS..EExtended strand (participates in β ladder)trans-132.2143.5172.9-70.1175.6-68-173.3-2.2109.7V192 N193 V214R183-V192 WeakPolarHBondContact CA-O 3.49Å; R183-N193 HydrophobicContact CG-CB 4.18Å; R183-N193 VanDerWaalsContact CG-OD1 3.31Å; R183-N193 WeakPolarHBondContact CG-OD1 3.18Å; R183-V214 PolarHBondContact N-O 3.15Å; R183-V214 PolarHBondContact O-N 3.04Å
184Y96.4Very high94.2Very high4 Ų448.7 Ų48.72%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-159.4172.9176.461.7-93.9000112.3L182 E186 V192 P204 I210 L213L182-Y184 HydrophobicContact CD2-CD1 4.23Å; L182-Y184 HydrophobicContact CD2-CE1 4.28Å; L182-Y184 HydrophobicContact CG-CD1 4.18Å; Y184-E186 HydrophobicContact CD2-CG 4.15Å; Y184-E186 HydrophobicContact CE2-CG 3.66Å; Y184-V192 HydrophobicContact CD1-CB 4.35Å; Y184-V192 HydrophobicContact CD2-CB 4Å; Y184-V192 HydrophobicContact CD2-CG2 4.25Å; Y184-V192 HydrophobicContact CE1-CB 3.97Å; Y184-V192 HydrophobicContact CE1-CG1 3.82Å; Y184-V192 HydrophobicContact CE2-CB 3.57Å; Y184-V192 HydrophobicContact CE2-CG1 4.09Å; Y184-V192 HydrophobicContact CE2-CG2 3.61Å; Y184-V192 HydrophobicContact CG-CB 4.36Å; Y184-V192 PolarHBondContact N-O 3.19Å; Y184-V192 PolarHBondContact O-N 3.11Å; Y184-V192 WeakPolarHBondContact OH-CG1 3.2Å; Y184-P204 HydrophobicContact CE2-CG 4.05Å; Y184-P204 WeakPolarHBondContact OH-CD 3.34Å; Y184-P204 WeakPolarHBondContact OH-CG 3.49Å; Y184-I210 VanDerWaalsContact CB-CG2 3.45Å; Y184-I210 HydrophobicContact CD2-CB 4.47Å; Y184-I210 HydrophobicContact CD2-CD1 4.3Å; Y184-I210 HydrophobicContact CD2-CG1 4.12Å; Y184-I210 HydrophobicContact CD2-CG2 3.63Å; Y184-I210 HydrophobicContact CE2-CD1 4.29Å; Y184-I210 HydrophobicContact CE2-CG1 4.31Å; Y184-I210 HydrophobicContact CG-CG2 3.68Å; Y184-L213 HydrophobicContact CD1-CD1 4.14Å; Y184-L213 HydrophobicContact CG-CD1 4.23Å
185I96.2Very high94.1Very high38 Ų3850.4 Ų50.420%0.19526%0.258CS..EExtended strand (participates in β ladder)trans-118.9127.4174.8-53.2-175.5000108T190 K191 I210 R211 N212I185-T190 CarbonylContact C-O 3.53Å; I185-T190 WeakPolarHBondContact CA-O 3.44Å; I185-K191 HydrophobicContact CD1-CG 4.38Å; I185-K191 HydrophobicContact CG1-CG 4.2Å; I185-I210 WeakPolarHBondContact O-CA 3.2Å; I185-R211 HydrophobicContact CB-CB 4.43Å; I185-R211 PolarHBondContact N-O 3.35Å; I185-R211 PolarHBondContact O-N 2.81Å; I185-N212 HydrophobicContact CD1-CB 4.05Å; I185-N212 WeakPolarHBondContact CD1-ND2 3.01Å; I185-N212 HydrophobicContact CG1-CB 4.1Å
186E94.3Very high93Very high53 Ų5347.3 Ų47.325%0.24825%0.247CC..  trans-72.9170.8174.3-67.5-167.4-177.300111.7Y184 D188 G189 T190 V192Y184-E186 HydrophobicContact CD2-CG 4.15Å; Y184-E186 HydrophobicContact CE2-CG 3.66Å; E186-D188 WeakPolarHBondContact CB-OD1 3.47Å; E186-D188 PolarHBondContact O-N 2.78Å; E186-G189 PolarHBondContact O-N 2.66Å; E186-T190 PolarHBondContact N-O 2.71Å; E186-V192 HydrophobicContact CG-CG2 3.94Å
187E89.4Confident91.6Very high109 Ų10949 Ų4951%0.50927%0.265SS..THydrogen-bonded Turntrans-62.6-30.9-176.7-178.4167-141.400112.7R166 G189 N206R166-E187 IonicContact NH2-OE2 2.82Å; E187-G189 PolarHBondContact O-N 3.38Å; E187-N206 PolarHBondContact OE2-ND2 3.09Å
188D90.4Very high90Very high117 Ų11752.4 Ų52.463%0.62630%0.296SS*.THydrogen-bonded Turntrans-78.4-1.317768.7-9.6000113.7E186 T190E186-D188 WeakPolarHBondContact CB-OD1 3.47Å; E186-D188 PolarHBondContact O-N 2.78Å; D188-T190 WeakPolarHBondContact OD1-CB 3.27Å; D188-T190 PolarHBondContact OD1-N 3.43Å; D188-T190 PolarHBondContact OD1-OG1 3.3Å; D188-T190 PolarHBondContact OD2-OG1 3.3Å
189G92.7Very high89.2Confident45 Ų4557.9 Ų57.946%0.46433%0.33SS..SBendtrans89.6-0.9-176.900000114.7E186 E187 K191E186-G189 PolarHBondContact O-N 2.66Å; E187-G189 PolarHBondContact O-N 3.38Å; G189-K191 PolarHBondContact O-N 3.08Å
190T94.3Very high89.1Confident68 Ų6859 Ų5942%0.41734%0.339SS..  trans-63.1121177.3-63.70000110.2I185 E186 D188 V192I185-T190 CarbonylContact C-O 3.53Å; I185-T190 WeakPolarHBondContact CA-O 3.44Å; E186-T190 PolarHBondContact N-O 2.71Å; D188-T190 WeakPolarHBondContact OD1-CB 3.27Å; D188-T190 PolarHBondContact OD1-N 3.43Å; D188-T190 PolarHBondContact OD1-OG1 3.3Å; D188-T190 PolarHBondContact OD2-OG1 3.3Å; T190-V192 HydrophobicContact CG2-CG2 4.29Å
191K95.1Very high89.1Confident175 Ų17561.4 Ų61.476%0.76135%0.351SS*.EExtended strand (participates in β ladder)trans-82.5117.6176-63.8-178.1-178.2174.40109.3I185 G189I185-K191 HydrophobicContact CD1-CG 4.38Å; I185-K191 HydrophobicContact CG1-CG 4.2Å; G189-K191 PolarHBondContact O-N 3.08Å
192V94.5Very high89.1Confident16 Ų1663.6 Ų63.610%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-105.8130.4178.1-176.50000109.7R183 Y184 E186 T190 I201R183-V192 WeakPolarHBondContact CA-O 3.49Å; Y184-V192 HydrophobicContact CD1-CB 4.35Å; Y184-V192 HydrophobicContact CD2-CB 4Å; Y184-V192 HydrophobicContact CD2-CG2 4.25Å; Y184-V192 HydrophobicContact CE1-CB 3.97Å; Y184-V192 HydrophobicContact CE1-CG1 3.82Å; Y184-V192 HydrophobicContact CE2-CB 3.57Å; Y184-V192 HydrophobicContact CE2-CG1 4.09Å; Y184-V192 HydrophobicContact CE2-CG2 3.61Å; Y184-V192 HydrophobicContact CG-CB 4.36Å; Y184-V192 PolarHBondContact N-O 3.19Å; Y184-V192 PolarHBondContact O-N 3.11Å; Y184-V192 WeakPolarHBondContact OH-CG1 3.2Å; E186-V192 HydrophobicContact CG-CG2 3.94Å; T190-V192 HydrophobicContact CG2-CG2 4.29Å; V192-I201 HydrophobicContact CG1-CD1 3.73Å; V192-I201 HydrophobicContact CG1-CG2 3.89Å
193N93.8Very high89.1Confident91 Ų9163.7 Ų63.749%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-123.5105.5175.6-177.58.2000109.9R183 T195 I201R183-N193 HydrophobicContact CG-CB 4.18Å; R183-N193 VanDerWaalsContact CG-OD1 3.31Å; R183-N193 WeakPolarHBondContact CG-OD1 3.18Å; N193-T195 VanDerWaalsContact C-N 3.25Å; N193-T195 PolarHBondContact O-N 3.3Å; N193-T195 WeakPolarHBondContact OD1-CB 3.37Å; N193-T195 PolarHBondContact OD1-N 3.32Å; N193-T195 PolarHBondContact OD1-OG1 3.07Å; N193-I201 WeakPolarHBondContact O-CD1 3.31Å
194C92.3Very high88.9Confident5 Ų557.7 Ų57.73%0.03435%0.351CS..  trans-82.3-0.3179.9-51.50000113.6I178 G180 L182 C196 I201I178-C194 HydrophobicContact CG2-CB 4.2Å; G180-C194 CarbonylContact C-O 3.58Å; G180-C194 PolarHBondContact N-O 3.25Å; G180-C194 CarbonylContact O-C 3.5Å; G180-C194 WeakPolarHBondContact O-CB 3.24Å; L182-C194 HydrophobicContact CB-CB 4.03Å; L182-C194 WeakPolarHBondContact O-CB 3.4Å; L182-C194 PolarHBondContact O-N 2.83Å; C194-C196 PolarHBondContact O-N 2.69Å; C194-I201 HydrophobicContact CB-CD1 4.34Å
195T86.2Confident88.5Confident68 Ų6860.7 Ų60.742%0.41737%0.373SS..  trans-50.6137.9-175.5-57.10000110.6G180 N193 G197G180-T195 VanDerWaalsContact O-CA 3.29Å; G180-T195 WeakPolarHBondContact O-CA 3.36Å; G180-T195 PolarHBondContact O-N 3.14Å; G180-T195 VanDerWaalsContact O-N 3.15Å; N193-T195 VanDerWaalsContact C-N 3.25Å; N193-T195 PolarHBondContact O-N 3.3Å; N193-T195 WeakPolarHBondContact OD1-CB 3.37Å; N193-T195 PolarHBondContact OD1-N 3.32Å; N193-T195 PolarHBondContact OD1-OG1 3.07Å; T195-G197 PolarHBondContact O-N 3.45Å
196C68.9Low88.2Confident23 Ų2360.1 Ų60.116%0.15537%0.37CS..SBendtrans-44.3100.4-171.2-470000113.5C194 C238 N239C194-C196 PolarHBondContact O-N 2.69Å; C196-C238 HydrophobicContact CB-CB 3.99Å; C196-C238 VanDerWaalsContact SG-C 3.59Å; C196-C238 WeakPolarHBondContact SG-CB 3.22Å; C196-N239 WeakPolarHBondContact CB-OD1 3.39Å
197G66.7Low88.1Confident38 Ų3857.8 Ų57.839%0.39236%0.359SS..SBendtrans-121.5-174.9164.800000110.5T195 T199T195-G197 PolarHBondContact O-N 3.45Å; G197-T199 PolarHBondContact O-N 3.01Å
198A63.7Low87.9Confident93 Ų9356.4 Ų56.477%0.76935%0.353SS*.SBendtrans-66.9-15177.200000113.5
199T81Confident87.8Confident116 Ų11651.5 Ų51.571%0.71233%0.33SS*.SBendtrans-117.7133.8-174.351.70000112.1G197G197-T199 PolarHBondContact O-N 3.01Å
200A92.6Very high87.9Confident27 Ų2749.9 Ų49.922%0.22331%0.31CS..PPolyproline II helixtrans-80.8150.5171.200000111.2L177 F229 L233L177-A200 HydrophobicContact CB-CB 4.02Å; L177-A200 HydrophobicContact CD1-CB 4.18Å; A200-F229 HydrophobicContact CB-CE1 3.61Å; A200-F229 HydrophobicContact CB-CZ 4.03Å; A200-L233 HydrophobicContact CB-CD1 3.81Å
201I94.9Very high87.8Confident50 Ų5053.8 Ų53.826%0.25632%0.317SS..EExtended strand (participates in β ladder)trans-100.1137.4177.4-56.5-167.5000109.4L177 I178 V192 N193 C194L177-I201 CarbonylContact C-O 3.54Å; L177-I201 WeakPolarHBondContact CA-O 3.38Å; I178-I201 PolarHBondContact N-O 3.22Å; I178-I201 PolarHBondContact O-N 3.31Å; V192-I201 HydrophobicContact CG1-CD1 3.73Å; V192-I201 HydrophobicContact CG1-CG2 3.89Å; N193-I201 WeakPolarHBondContact O-CD1 3.31Å; C194-I201 HydrophobicContact CB-CD1 4.34Å
202A95.4Very high87.8Confident63 Ų6351 Ų5152%0.52131%0.311SS..EExtended strand (participates in β ladder)trans-64.7140.1174.700000111.1
203V95.6Very high87.8Confident3 Ų351.4 Ų51.42%0.01831%0.312CS..PPolyproline II helixtrans-60.4127171.7170.40000108.4S174 G176 I178 I207 N256 L260S174-V203 WeakPolarHBondContact CB-O 3.45Å; S174-V203 VanDerWaalsContact OG-CB 3.29Å; S174-V203 WeakPolarHBondContact OG-CB 3.41Å; S174-V203 WeakPolarHBondContact OG-CG1 3.3Å; S174-V203 PolarHBondContact OG-O 3.47Å; G176-V203 PolarHBondContact O-N 3.45Å; I178-V203 HydrophobicContact CD1-CB 4.39Å; I178-V203 HydrophobicContact CD1-CG2 3.89Å; I178-V203 HydrophobicContact CG1-CB 4.43Å; I178-V203 HydrophobicContact CG1-CG2 3.49Å; I178-V203 VanDerWaalsContact CG1-CG2 3.49Å; V203-I207 HydrophobicContact CG1-CD1 3.8Å; V203-N256 HydrophobicContact CG1-CB 4Å; V203-L260 HydrophobicContact CG1-CB 4.44Å; V203-L260 HydrophobicContact CG1-CD2 4.23Å; V203-L260 HydrophobicContact CG2-CD2 3.96Å
204P92.8Very high87.9Confident9 Ų950.5 Ų50.56%0.05831%0.31CS..PPolyproline II helixtrans-65.4147.7-175.920.9-27.9000111.5Y184 N206 I207 I210Y184-P204 HydrophobicContact CE2-CG 4.05Å; Y184-P204 WeakPolarHBondContact OH-CD 3.34Å; Y184-P204 WeakPolarHBondContact OH-CG 3.49Å; P204-N206 PolarHBondContact O-N 3Å; P204-I207 HydrophobicContact CG-CD1 3.78Å; P204-I207 WeakPolarHBondContact O-CD1 3.3Å; P204-I210 HydrophobicContact CG-CD1 3.74Å; P204-I210 HydrophobicContact CG-CG1 4.31Å
205S87.9Confident88.1Confident67 Ų6751.3 Ų51.347%0.46932%0.315SS..SBendtrans-66.4-24.2177.4580000112.2N256S205-N256 PolarHBondContact O-ND2 3.28Å
206N89.1Confident88.5Confident27 Ų2752.6 Ų52.614%0.14432%0.319CS..  trans-11678.7-175.5179.71.4000112.2R166 E187 P204 Q208 G209R166-N206 PolarHBondContact NH1-OD1 2.83Å; R166-N206 PolarHBondContact NH2-ND2 3.15Å; R166-N206 PolarHBondContact NH2-OD1 3.15Å; E187-N206 PolarHBondContact OE2-ND2 3.09Å; P204-N206 PolarHBondContact O-N 3Å; N206-Q208 PolarHBondContact O-N 3.37Å; N206-G209 WeakPolarHBondContact OD1-CA 3.39Å; N206-G209 PolarHBondContact OD1-N 2.96Å
207I92.1Very high89.8Confident3 Ų351.6 Ų51.62%0.01531%0.313CS..SBendtrans-67.4-37.2179.7-54.2-52.2000113V203 P204 I210 N256 L259 L260 K263V203-I207 HydrophobicContact CG1-CD1 3.8Å; P204-I207 HydrophobicContact CG-CD1 3.78Å; P204-I207 WeakPolarHBondContact O-CD1 3.3Å; I207-I210 HydrophobicContact CD1-CD1 4.19Å; I207-I210 HydrophobicContact CG2-CD1 4.26Å; I207-I210 WeakPolarHBondContact O-CB 3.32Å; I207-I210 WeakPolarHBondContact O-CG1 3.43Å; I207-I210 PolarHBondContact O-N 2.88Å; I207-N256 HydrophobicContact CD1-CB 4.3Å; I207-N256 HydrophobicContact CG1-CB 4Å; I207-N256 WeakPolarHBondContact CG1-O 3.14Å; I207-L259 HydrophobicContact CB-CB 3.95Å; I207-L259 HydrophobicContact CG1-CB 3.85Å; I207-L259 HydrophobicContact CG1-CD1 4.49Å; I207-L259 HydrophobicContact CG2-CB 3.94Å; I207-L260 HydrophobicContact CD1-CB 4.07Å; I207-K263 HydrophobicContact CG2-CB 4.31Å; I207-K263 HydrophobicContact CG2-CD 3.84Å; I207-K263 PolarHBondContact O-NZ 2.95Å
208Q86.5Confident91.1Very high81 Ų8152.5 Ų52.538%0.37931%0.306SS..THydrogen-bonded Turntrans-67.4-39.1-176.2-72.8179.5-29.500112.1N206 I210 K263N206-Q208 PolarHBondContact O-N 3.37Å; Q208-I210 PolarHBondContact O-N 3.26Å; Q208-K263 PolarHBondContact O-NZ 2.94Å
209G88.3Confident92.8Very high13 Ų1348 Ų4813%0.13427%0.269CS..THydrogen-bonded Turntrans-74.8-3.9178.500000114.9N206 R211N206-G209 WeakPolarHBondContact OD1-CA 3.39Å; N206-G209 PolarHBondContact OD1-N 2.96Å; G209-R211 PolarHBondContact O-N 3.43Å
210I93.5Very high93.6Very high11 Ų1142.6 Ų42.66%0.05624%0.235CC..  trans-62125.6172.9-62.3174.5000110.2Y184 I185 P204 I207 Q208 L213 K263Y184-I210 VanDerWaalsContact CB-CG2 3.45Å; Y184-I210 HydrophobicContact CD2-CB 4.47Å; Y184-I210 HydrophobicContact CD2-CD1 4.3Å; Y184-I210 HydrophobicContact CD2-CG1 4.12Å; Y184-I210 HydrophobicContact CD2-CG2 3.63Å; Y184-I210 HydrophobicContact CE2-CD1 4.29Å; Y184-I210 HydrophobicContact CE2-CG1 4.31Å; Y184-I210 HydrophobicContact CG-CG2 3.68Å; I185-I210 WeakPolarHBondContact O-CA 3.2Å; P204-I210 HydrophobicContact CG-CD1 3.74Å; P204-I210 HydrophobicContact CG-CG1 4.31Å; I207-I210 HydrophobicContact CD1-CD1 4.19Å; I207-I210 HydrophobicContact CG2-CD1 4.26Å; I207-I210 WeakPolarHBondContact O-CB 3.32Å; I207-I210 WeakPolarHBondContact O-CG1 3.43Å; I207-I210 PolarHBondContact O-N 2.88Å; Q208-I210 PolarHBondContact O-N 3.26Å; I210-L213 HydrophobicContact CG2-CB 4.46Å; I210-L213 HydrophobicContact CG2-CD1 4.12Å; I210-K263 PolarHBondContact O-NZ 3.47Å
211R93.5Very high93.9Very high150 Ų15041.3 Ų41.357%0.56623%0.225SC*.EExtended strand (participates in β ladder)trans-112161.3176.6-57.3178.5-173-168.42.5110.6I185 G209 L213I185-R211 HydrophobicContact CB-CB 4.43Å; I185-R211 PolarHBondContact N-O 3.35Å; I185-R211 PolarHBondContact O-N 2.81Å; G209-R211 PolarHBondContact O-N 3.43Å; R211-L213 PolarHBondContact O-N 3.05Å; R211-L213 VanDerWaalsContact O-N 3.13Å
212N94.4Very high94Very high118 Ų11839 Ų3963%0.63121%0.213SC*.EExtended strand (participates in β ladder)trans46.746174.9-62.8-4000113.2I185 V214I185-N212 HydrophobicContact CD1-CB 4.05Å; I185-N212 WeakPolarHBondContact CD1-ND2 3.01Å; I185-N212 HydrophobicContact CG1-CB 4.1Å; N212-V214 PolarHBondContact O-N 2.77Å
213L95.4Very high94.2Very high24 Ų2436 Ų3613%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-67123.4175.4-16965.5000108.5L182 Y184 I210 R211 K263 L264 F268L182-L213 HydrophobicContact CD1-CD1 3.58Å; L182-L213 HydrophobicContact CD1-CG 4.24Å; L182-L213 HydrophobicContact CD2-CD1 4.47Å; L182-L213 HydrophobicContact CG-CD1 4.23Å; Y184-L213 HydrophobicContact CD1-CD1 4.14Å; Y184-L213 HydrophobicContact CG-CD1 4.23Å; I210-L213 HydrophobicContact CG2-CB 4.46Å; I210-L213 HydrophobicContact CG2-CD1 4.12Å; R211-L213 PolarHBondContact O-N 3.05Å; R211-L213 VanDerWaalsContact O-N 3.13Å; L213-K263 HydrophobicContact CD2-CD 4.42Å; L213-K263 HydrophobicContact CD2-CG 4Å; L213-L264 HydrophobicContact CD2-CD2 4.39Å; L213-F268 HydrophobicContact CB-CE2 4.48Å; L213-F268 HydrophobicContact CB-CZ 4.34Å; L213-F268 HydrophobicContact CD2-CE2 3.66Å; L213-F268 HydrophobicContact CD2-CZ 4.31Å; L213-F268 HydrophobicContact CG-CE2 3.71Å; L213-F268 HydrophobicContact CG-CZ 4Å; L213-F268 WeakPolarHBondContact O-CZ 3.44Å
214V96.1Very high94.2Very high71 Ų7136.9 Ų36.943%0.4319%0.192SC..EExtended strand (participates in β ladder)trans-136.1130.6-177178.40000109.6R183 N212R183-V214 PolarHBondContact N-O 3.15Å; R183-V214 PolarHBondContact O-N 3.04Å; N212-V214 PolarHBondContact O-N 2.77Å
215T95.6Very high94.2Very high23 Ų2339.2 Ų39.214%0.14120%0.201CC..  trans-151.2144.4175.8-179.30000111.1N181 A217 I245 F268N181-T215 VanDerWaalsContact O-CB 3.24Å; N181-T215 WeakPolarHBondContact O-CB 3.23Å; N181-T215 PolarHBondContact O-OG1 3.13Å; T215-A217 WeakPolarHBondContact OG1-CB 3.23Å; T215-A217 PolarHBondContact OG1-N 3.19Å; T215-I245 WeakPolarHBondContact OG1-CD1 3.45Å; T215-F268 HydrophobicContact CG2-CB 4.26Å; T215-F268 HydrophobicContact CG2-CD1 3.78Å; T215-F268 HydrophobicContact CG2-CD2 3.35Å; T215-F268 HydrophobicContact CG2-CE1 3.88Å; T215-F268 HydrophobicContact CG2-CE2 3.47Å; T215-F268 VanDerWaalsContact CG2-CE2 3.47Å; T215-F268 HydrophobicContact CG2-CG 3.52Å; T215-F268 HydrophobicContact CG2-CZ 3.74Å
216D94.1Very high94.5Very high94 Ų9438.1 Ų38.150%0.50319%0.19SC..  trans-108.18.4168.960.9-36.3000112.1N181 K218 P243N181-D216 VanDerWaalsContact CB-OD1 3.26Å; N181-D216 WeakPolarHBondContact CB-OD1 3.21Å; N181-D216 PolarHBondContact ND2-OD1 2.99Å; N181-D216 PolarHBondContact ND2-OD2 3.23Å; D216-K218 PolarHBondContact O-N 3.28Å; D216-P243 WeakPolarHBondContact O-CG 3.42Å
217A95.6Very high94.8Very high3 Ų339.7 Ų39.73%0.02521%0.207CC..  trans-59.5133.6-175.100000112.7N181 T215 I245N181-A217 HydrophobicContact CB-CB 4.2Å; T215-A217 WeakPolarHBondContact OG1-CB 3.23Å; T215-A217 PolarHBondContact OG1-N 3.19Å; A217-I245 HydrophobicContact CB-CD1 3.77Å; A217-I245 HydrophobicContact CB-CG1 3.76Å
218K95.9Very high94.9Very high56 Ų5639.8 Ų39.824%0.24321%0.208CC..SBendtrans-81.1-24.8173.8-70.2-67.1-171.2163.60112.7F13 D17 D216 P243 P271F13-K218 HydrophobicContact CB-CD 4.48Å; F13-K218 HydrophobicContact CB-CG 4.41Å; F13-K218 HydrophobicContact CD1-CB 3.49Å; F13-K218 VanDerWaalsContact CD1-CB 3.49Å; F13-K218 HydrophobicContact CD1-CG 3.66Å; F13-K218 HydrophobicContact CD2-CG 4.39Å; F13-K218 HydrophobicContact CE1-CB 3.72Å; F13-K218 HydrophobicContact CE1-CG 3.98Å; F13-K218 HydrophobicContact CG-CB 4.23Å; F13-K218 HydrophobicContact CG-CD 4.47Å; F13-K218 HydrophobicContact CG-CG 3.9Å; F13-K218 HydrophobicContact CZ-CG 4.48Å; D17-K218 VanDerWaalsContact CG-NZ 3.28Å; D17-K218 WeakPolarHBondContact OD1-CD 3.42Å; D17-K218 IonicContact OD1-NZ 3.48Å; D17-K218 PolarHBondContact OD1-NZ 2.84Å; D17-K218 IonicContact OD2-NZ 2.79Å; D17-K218 PolarHBondContact OD2-NZ 2.83Å; D216-K218 PolarHBondContact O-N 3.28Å; K218-P243 HydrophobicContact CG-CG 3.86Å; K218-P243 PolarHBondContact N-O 2.89Å; K218-P271 WeakPolarHBondContact O-CD 3.38Å
219F97.4Very high95.4Very high0 Ų035.9 Ų35.90%019%0.19CC..EExtended strand (participates in β ladder)trans-155.1159.1175.867.6-81.9000112.1F13 L16 L221 F237 L241 C244 I245 V270 P271 F273 L390F13-F219 HydrophobicContact CE1-CD1 4.23Å; F13-F219 HydrophobicContact CE1-CE1 4.07Å; L16-F219 HydrophobicContact CD1-CD1 3.9Å; L16-F219 HydrophobicContact CD1-CG 4.47Å; F219-L221 HydrophobicContact CD2-CB 4.28Å; F219-L221 HydrophobicContact CE2-CB 4.05Å; F219-F237 HydrophobicContact CE2-CE1 4.41Å; F219-F237 HydrophobicContact CZ-CE1 4.34Å; F219-F237 HydrophobicContact CZ-CZ 4.39Å; F219-L241 HydrophobicContact CE1-CB 4.45Å; F219-L241 HydrophobicContact CZ-CB 4.18Å; F219-L241 HydrophobicContact CZ-CD1 4.42Å; F219-C244 HydrophobicContact CD1-CB 3.9Å; F219-C244 HydrophobicContact CD2-CB 4.24Å; F219-C244 HydrophobicContact CE1-CB 3.38Å; F219-C244 HydrophobicContact CE2-CB 3.77Å; F219-C244 HydrophobicContact CG-CB 4.3Å; F219-C244 HydrophobicContact CZ-CB 3.31Å; F219-C244 WeakPolarHBondContact O-CA 3.38Å; F219-I245 PolarHBondContact O-N 3.37Å; F219-V270 VanDerWaalsContact CA-CG1 3.42Å; F219-P271 CarbonylContact C-O 3.54Å; F219-P271 WeakPolarHBondContact CA-O 3.49Å; F219-F273 HydrophobicContact CB-CD2 3.88Å; F219-F273 HydrophobicContact CB-CE2 3.71Å; F219-F273 HydrophobicContact CD2-CD2 4.17Å; F219-F273 HydrophobicContact CG-CD2 4.38Å; F219-F273 HydrophobicContact CG-CE2 4.44Å; F219-L390 HydrophobicContact CD2-CD1 4.42Å; F219-L390 HydrophobicContact CD2-CD2 4.37Å; F219-L390 HydrophobicContact CE1-CD1 4.23Å; F219-L390 HydrophobicContact CE2-CD1 3.76Å; F219-L390 HydrophobicContact CE2-CD2 4.49Å; F219-L390 HydrophobicContact CZ-CD1 3.65Å
220V98.3Very high95.7Very high1 Ų138.4 Ų38.41%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-109.1130.2167.8178.90000108.5I222 I245 I247 L264 V270 P271 V272 F273V220-I222 HydrophobicContact CG1-CG1 4.48Å; V220-I245 CarbonylContact C-O 3.59Å; V220-I245 VanDerWaalsContact CA-O 3.26Å; V220-I245 WeakPolarHBondContact CA-O 3.5Å; V220-I245 HydrophobicContact CG2-CB 4.26Å; V220-I245 HydrophobicContact CG2-CD1 4.47Å; V220-I247 HydrophobicContact CG1-CD1 3.89Å; V220-I247 HydrophobicContact CG1-CG1 4.32Å; V220-L264 HydrophobicContact CG2-CD1 4.25Å; V220-V270 HydrophobicContact CG2-CB 4.32Å; V220-V270 HydrophobicContact CG2-CG1 3.84Å; V220-P271 PolarHBondContact N-O 2.94Å; V220-V272 HydrophobicContact CB-CB 4.48Å; V220-V272 HydrophobicContact CB-CG1 4.19Å; V220-V272 HydrophobicContact CB-CG2 4.24Å; V220-V272 HydrophobicContact CG1-CG1 4.2Å; V220-V272 WeakPolarHBondContact O-CA 3.31Å; V220-F273 PolarHBondContact O-N 2.91Å
221L98.4Very high95.7Very high0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-110.9110.2173.5-179.563.8000110.1F219 V223 L232 F237 I245 M246 I247 F273 L275 L311 L386F219-L221 HydrophobicContact CD2-CB 4.28Å; F219-L221 HydrophobicContact CE2-CB 4.05Å; L221-V223 HydrophobicContact CD2-CG2 4.09Å; L221-V223 HydrophobicContact CG-CG2 3.94Å; L221-L232 HydrophobicContact CD2-CD1 4.44Å; L221-F237 HydrophobicContact CD2-CE1 3.76Å; L221-F237 HydrophobicContact CD2-CZ 3.79Å; L221-I245 PolarHBondContact N-O 2.99Å; L221-M246 HydrophobicContact CB-CG 4.28Å; L221-M246 HydrophobicContact CD2-CG 4.38Å; L221-M246 CarbonylContact O-C 3.59Å; L221-M246 VanDerWaalsContact O-CA 3.31Å; L221-M246 WeakPolarHBondContact O-CA 3.39Å; L221-I247 PolarHBondContact O-N 3.23Å; L221-F273 HydrophobicContact CD1-CB 4.16Å; L221-L275 HydrophobicContact CD1-CB 4.02Å; L221-L311 HydrophobicContact CD1-CD2 3.71Å; L221-L386 HydrophobicContact CD2-CD1 4.17Å
222I98.6Very high95.8Very high2 Ų235.4 Ų35.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-83.8119.4170.8-60.4172.6000108.1V220 I247 V261 V272 F273 T274 L275 Y289 I308V220-I222 HydrophobicContact CG1-CG1 4.48Å; I222-I247 CarbonylContact C-O 3.55Å; I222-I247 VanDerWaalsContact CA-O 3.27Å; I222-I247 WeakPolarHBondContact CA-O 3.44Å; I222-V261 HydrophobicContact CD1-CG1 3.92Å; I222-V261 HydrophobicContact CD1-CG2 4.02Å; I222-V261 HydrophobicContact CG1-CG2 4.33Å; I222-V272 HydrophobicContact CD1-CG1 3.56Å; I222-V272 HydrophobicContact CG1-CG1 3.98Å; I222-F273 PolarHBondContact N-O 2.76Å; I222-T274 HydrophobicContact CB-CG2 3.92Å; I222-T274 HydrophobicContact CD1-CG2 4.01Å; I222-T274 HydrophobicContact CG1-CG2 4.49Å; I222-T274 HydrophobicContact CG2-CG2 4.23Å; I222-T274 WeakPolarHBondContact O-CA 3.27Å; I222-L275 PolarHBondContact O-N 2.77Å; I222-Y289 HydrophobicContact CD1-CD1 3.93Å; I222-Y289 HydrophobicContact CD1-CD2 4.34Å; I222-Y289 HydrophobicContact CD1-CE1 4.05Å; I222-Y289 HydrophobicContact CD1-CE2 4.44Å; I222-Y289 HydrophobicContact CD1-CG 4.07Å; I222-Y289 HydrophobicContact CG2-CD2 4.15Å; I222-Y289 HydrophobicContact CG2-CE2 3.53Å; I222-I308 HydrophobicContact CD1-CD1 4.09Å
223V98.1Very high95.8Very high0 Ų030.5 Ų30.50%016%0.16CC..EExtended strand (participates in β ladder)trans-108.9123177.1-175.70000108.9L221 T228 F229 L232 M246 I247 T248 L275L221-V223 HydrophobicContact CD2-CG2 4.09Å; L221-V223 HydrophobicContact CG-CG2 3.94Å; V223-T228 HydrophobicContact CG1-CG2 3.83Å; V223-F229 HydrophobicContact CB-CB 4.21Å; V223-F229 HydrophobicContact CB-CD2 4.29Å; V223-F229 HydrophobicContact CG1-CB 4.06Å; V223-F229 HydrophobicContact CG2-CD2 4.44Å; V223-L232 HydrophobicContact CG2-CD1 3.94Å; V223-M246 HydrophobicContact CG2-CE 4.32Å; V223-I247 PolarHBondContact N-O 3.28Å; V223-T248 VanDerWaalsContact O-CA 3.29Å; V223-T248 WeakPolarHBondContact O-CA 3.49Å; V223-T248 WeakPolarHBondContact O-CB 3.28Å; V223-T248 PolarHBondContact O-OG1 2.88Å; V223-L275 HydrophobicContact CG1-CD2 4.42Å; V223-L275 HydrophobicContact CG2-CD2 4.48Å
224E96.5Very high95.7Very high21 Ų2134.5 Ų34.510%0.09818%0.181CC..SBendtrans-59.8-59.8-177.7-176.5-175.8160.800112.7T248 G251 L275 V276 D277 G282 I285E224-T248 PolarHBondContact O-OG1 2.66Å; E224-G251 PolarHBondContact O-N 3.46Å; E224-L275 PolarHBondContact N-O 2.88Å; E224-V276 HydrophobicContact CB-CB 4.45Å; E224-V276 HydrophobicContact CB-CG1 4.19Å; E224-V276 WeakPolarHBondContact OE2-CA 3.23Å; E224-V276 VanDerWaalsContact OE2-CB 3.29Å; E224-V276 WeakPolarHBondContact OE2-CB 3.26Å; E224-D277 PolarHBondContact OE2-N 3.28Å; E224-G282 WeakPolarHBondContact OE2-CA 3.33Å; E224-I285 HydrophobicContact CG-CD1 3.69Å; E224-I285 HydrophobicContact CG-CG2 4.39Å; E224-I285 WeakPolarHBondContact OE1-CD1 3.03Å
225K93.1Very high95.5Very high58 Ų5832.1 Ų32.125%0.25217%0.166SC..  trans-91.2133.5-167.8-154175-165165.20110.9A227 T228 F229 E369K225-A227 VanDerWaalsContact C-N 3.31Å; K225-A227 HydrophobicContact CG-CB 4.5Å; K225-A227 PolarHBondContact O-N 3.42Å; K225-T228 PolarHBondContact O-N 3.44Å; K225-F229 PolarHBondContact O-N 3.44Å; K225-E369 IonicContact NZ-OE1 2.66Å; K225-E369 PolarHBondContact NZ-OE1 2.66Å; K225-E369 IonicContact NZ-OE2 2.87Å; K225-E369 PolarHBondContact NZ-OE2 2.91Å
226D94.9Very high95.3Very high44 Ų4435 Ų3524%0.23518%0.18CC..Hα-helixtrans-59.2-43.5178-166.618000110.9T228 F229 Q230 K250D226-T228 VanDerWaalsContact C-N 3.32Å; D226-T228 PolarHBondContact O-N 3.01Å; D226-F229 CarbonylContact O-C 3.58Å; D226-F229 WeakPolarHBondContact O-CA 3.47Å; D226-F229 WeakPolarHBondContact O-CB 3.32Å; D226-F229 PolarHBondContact O-N 2.83Å; D226-Q230 WeakPolarHBondContact O-CG 3.43Å; D226-Q230 PolarHBondContact O-N 3.43Å; D226-Q230 PolarHBondContact OD1-NE2 3.49Å; D226-K250 HydrophobicContact CB-CB 4.37Å; D226-K250 HydrophobicContact CB-CD 4.13Å; D226-K250 HydrophobicContact CB-CG 3.96Å; D226-K250 IonicContact OD1-NZ 3.01Å; D226-K250 WeakPolarHBondContact OD2-CD 3.13Å; D226-K250 VanDerWaalsContact OD2-CE 3.28Å; D226-K250 WeakPolarHBondContact OD2-CE 3.29Å; D226-K250 IonicContact OD2-NZ 2.84Å; D226-K250 PolarHBondContact OD2-NZ 3.19Å
227A94Very high95.3Very high61 Ų6130.5 Ų30.550%0.50416%0.157SC..Hα-helixtrans-57.4-42.4177.700000112.9K225 R231K225-A227 VanDerWaalsContact C-N 3.31Å; K225-A227 HydrophobicContact CG-CB 4.5Å; K225-A227 PolarHBondContact O-N 3.42Å; A227-R231 WeakPolarHBondContact O-CB 3.33Å; A227-R231 PolarHBondContact O-N 2.79Å
228T95.7Very high95.1Very high4 Ų430.5 Ų30.53%0.02516%0.156CC..Hα-helixtrans-67.4-39.8175.8-530000111V223 K225 D226 R231 L232 L275 I370 Q371 L381V223-T228 HydrophobicContact CG1-CG2 3.83Å; K225-T228 PolarHBondContact O-N 3.44Å; D226-T228 VanDerWaalsContact C-N 3.32Å; D226-T228 PolarHBondContact O-N 3.01Å; T228-R231 PolarHBondContact O-N 2.83Å; T228-L232 HydrophobicContact CG2-CD1 4.45Å; T228-L232 WeakPolarHBondContact O-CG 3.18Å; T228-L232 PolarHBondContact O-N 2.88Å; T228-L275 HydrophobicContact CG2-CD2 4.24Å; T228-I370 HydrophobicContact CG2-CD1 4.34Å; T228-I370 HydrophobicContact CG2-CG2 3.86Å; T228-Q371 PolarHBondContact OG1-NE2 3Å; T228-Q371 VanDerWaalsContact OG1-NE2 3.07Å; T228-L381 HydrophobicContact CG2-CD2 3.62Å
229F96.4Very high94.8Very high0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-62.6-48.7176.7177.2-88.1000111.8L177 A179 A200 V223 K225 D226 R231 L232 L233 M246 T248L177-F229 HydrophobicContact CB-CE1 3.83Å; L177-F229 HydrophobicContact CB-CZ 3.96Å; L177-F229 HydrophobicContact CD1-CD1 4.31Å; L177-F229 HydrophobicContact CD1-CE1 4.02Å; A179-F229 HydrophobicContact CB-CZ 4.04Å; A200-F229 HydrophobicContact CB-CE1 3.61Å; A200-F229 HydrophobicContact CB-CZ 4.03Å; V223-F229 HydrophobicContact CB-CB 4.21Å; V223-F229 HydrophobicContact CB-CD2 4.29Å; V223-F229 HydrophobicContact CG1-CB 4.06Å; V223-F229 HydrophobicContact CG2-CD2 4.44Å; K225-F229 PolarHBondContact O-N 3.44Å; D226-F229 CarbonylContact O-C 3.58Å; D226-F229 WeakPolarHBondContact O-CA 3.47Å; D226-F229 WeakPolarHBondContact O-CB 3.32Å; D226-F229 PolarHBondContact O-N 2.83Å; F229-R231 PolarHBondContact O-N 3.12Å; F229-L232 PolarHBondContact O-N 3.45Å; F229-L233 HydrophobicContact CD1-CD1 3.91Å; F229-L233 HydrophobicContact CD1-CG 4.47Å; F229-L233 HydrophobicContact CE1-CD1 3.42Å; F229-L233 VanDerWaalsContact CE1-CD1 3.42Å; F229-L233 HydrophobicContact CE1-CG 4.21Å; F229-L233 HydrophobicContact CZ-CD1 4.06Å; F229-L233 WeakPolarHBondContact O-CG 3.46Å; F229-L233 PolarHBondContact O-N 3.21Å; F229-L233 VanDerWaalsContact O-N 3.12Å; F229-M246 HydrophobicContact CD2-CB 4.25Å; F229-M246 HydrophobicContact CD2-CE 3.55Å; F229-M246 HydrophobicContact CE2-CB 3.68Å; F229-M246 HydrophobicContact CE2-CE 3.83Å; F229-M246 HydrophobicContact CG-CE 4.12Å; F229-T248 HydrophobicContact CB-CG2 3.92Å; F229-T248 HydrophobicContact CD1-CG2 3.73Å; F229-T248 HydrophobicContact CD2-CG2 3.63Å; F229-T248 HydrophobicContact CE1-CG2 4.07Å; F229-T248 HydrophobicContact CE2-CG2 3.99Å; F229-T248 HydrophobicContact CG-CG2 3.49Å; F229-T248 VanDerWaalsContact CG-CG2 3.49Å; F229-T248 HydrophobicContact CZ-CG2 4.22Å
230Q94.9Very high94.5Very high66 Ų6637.1 Ų37.131%0.30819%0.189SC..Hα-helixtrans-60.1-44.8176-61.7-53.3-38.100111.2D226 L232 L233 D234D226-Q230 WeakPolarHBondContact O-CG 3.43Å; D226-Q230 PolarHBondContact O-N 3.43Å; D226-Q230 PolarHBondContact OD1-NE2 3.49Å; Q230-L232 VanDerWaalsContact C-N 3.29Å; Q230-L232 PolarHBondContact O-N 3.07Å; Q230-L233 WeakPolarHBondContact O-CA 3.5Å; Q230-L233 WeakPolarHBondContact O-CB 3.37Å; Q230-L233 PolarHBondContact O-N 3.25Å; Q230-D234 PolarHBondContact O-N 3.29Å
231R93.8Very high94.2Very high97 Ų9737.8 Ų37.837%0.36619%0.192SC..Hα-helixtrans-58.4-40.9177.8-179.257.8177.9168.55.5112.7A227 T228 F229 L233 D234 D235 S378A227-R231 WeakPolarHBondContact O-CB 3.33Å; A227-R231 PolarHBondContact O-N 2.79Å; T228-R231 PolarHBondContact O-N 2.83Å; F229-R231 PolarHBondContact O-N 3.12Å; R231-L233 VanDerWaalsContact C-N 3.31Å; R231-L233 PolarHBondContact O-N 2.98Å; R231-D234 PolarHBondContact O-N 2.9Å; R231-D235 IonicContact CZ-OD1 3.5Å; R231-D235 IonicContact NE-OD1 3.73Å; R231-D235 IonicContact NE-OD2 3.95Å; R231-D235 IonicContact NH1-OD1 3.82Å; R231-D235 IonicContact NH2-OD1 3.66Å; R231-D235 WeakPolarHBondContact O-CB 3.4Å; R231-D235 PolarHBondContact O-N 3.21Å; R231-S378 PolarHBondContact NE-O 3Å; R231-S378 PolarHBondContact NH2-O 3.39Å
232L94.8Very high93.8Very high1 Ų140.3 Ų40.31%0.00521%0.21CC..Hα-helixtrans-66.2-32.8175.7-73.1174000112.4L221 V223 T228 F229 Q230 N236 F237 M246 L275 L381 L386L221-L232 HydrophobicContact CD2-CD1 4.44Å; V223-L232 HydrophobicContact CG2-CD1 3.94Å; T228-L232 HydrophobicContact CG2-CD1 4.45Å; T228-L232 WeakPolarHBondContact O-CG 3.18Å; T228-L232 PolarHBondContact O-N 2.88Å; F229-L232 PolarHBondContact O-N 3.45Å; Q230-L232 VanDerWaalsContact C-N 3.29Å; Q230-L232 PolarHBondContact O-N 3.07Å; L232-N236 PolarHBondContact O-N 2.97Å; L232-F237 HydrophobicContact CB-CB 4.12Å; L232-F237 HydrophobicContact CD2-CB 4.29Å; L232-F237 HydrophobicContact CD2-CD2 4.06Å; L232-F237 HydrophobicContact CD2-CG 4.23Å; L232-F237 WeakPolarHBondContact O-CB 3.44Å; L232-F237 PolarHBondContact O-N 3.04Å; L232-M246 HydrophobicContact CB-CE 3.51Å; L232-M246 HydrophobicContact CB-SD 4.07Å; L232-M246 HydrophobicContact CD1-CE 3.89Å; L232-M246 HydrophobicContact CD1-SD 4.43Å; L232-M246 HydrophobicContact CG-CE 4.36Å; L232-L275 HydrophobicContact CD1-CD2 4.37Å; L232-L381 HydrophobicContact CD2-CD2 4.01Å; L232-L381 HydrophobicContact CD2-CG 4.17Å; L232-L381 HydrophobicContact CG-CD2 4.31Å; L232-L386 HydrophobicContact CD1-CD1 4.07Å; L232-L386 HydrophobicContact CD2-CD1 3.7Å
233L93.9Very high93.6Very high15 Ų1541.3 Ų41.38%0.07922%0.217CC..Hα-helixtrans-67.7-46.4172.9-66.2177.3000111.9A179 A200 F229 Q230 R231 D235 N236 M246A179-L233 HydrophobicContact CB-CD1 4.46Å; A179-L233 HydrophobicContact CB-CD2 3.49Å; A179-L233 VanDerWaalsContact CB-CD2 3.49Å; A200-L233 HydrophobicContact CB-CD1 3.81Å; F229-L233 HydrophobicContact CD1-CD1 3.91Å; F229-L233 HydrophobicContact CD1-CG 4.47Å; F229-L233 HydrophobicContact CE1-CD1 3.42Å; F229-L233 VanDerWaalsContact CE1-CD1 3.42Å; F229-L233 HydrophobicContact CE1-CG 4.21Å; F229-L233 HydrophobicContact CZ-CD1 4.06Å; F229-L233 WeakPolarHBondContact O-CG 3.46Å; F229-L233 PolarHBondContact O-N 3.21Å; F229-L233 VanDerWaalsContact O-N 3.12Å; Q230-L233 WeakPolarHBondContact O-CA 3.5Å; Q230-L233 WeakPolarHBondContact O-CB 3.37Å; Q230-L233 PolarHBondContact O-N 3.25Å; R231-L233 VanDerWaalsContact C-N 3.31Å; R231-L233 PolarHBondContact O-N 2.98Å; L233-D235 PolarHBondContact O-N 3.36Å; L233-N236 WeakPolarHBondContact O-CA 3.36Å; L233-N236 PolarHBondContact O-N 3.07Å; L233-M246 HydrophobicContact CD2-CE 4.38Å; L233-M246 HydrophobicContact CG-CE 4.48Å
234D92.9Very high93.5Very high108 Ų10841.3 Ų41.358%0.57822%0.217SC*.Hα-helixtrans-57.8-39.3175.9-64.5-24.8000111.4Q230 R231 N236Q230-D234 PolarHBondContact O-N 3.29Å; R231-D234 PolarHBondContact O-N 2.9Å; D234-N236 PolarHBondContact O-N 3.26Å; D234-N236 VanDerWaalsContact O-N 3.12Å; D234-N236 PolarHBondContact O-ND2 3.02Å
235D92.5Very high93.5Very high20 Ų2040.3 Ų40.311%0.10721%0.212CC..THydrogen-bonded Turntrans-72.73176.1-74.9-7.9000113.4R231 L233 F237 K240 S382R231-D235 IonicContact CZ-OD1 3.5Å; R231-D235 IonicContact NE-OD1 3.73Å; R231-D235 IonicContact NE-OD2 3.95Å; R231-D235 IonicContact NH1-OD1 3.82Å; R231-D235 IonicContact NH2-OD1 3.66Å; R231-D235 WeakPolarHBondContact O-CB 3.4Å; R231-D235 PolarHBondContact O-N 3.21Å; L233-D235 PolarHBondContact O-N 3.36Å; D235-F237 PolarHBondContact O-N 2.81Å; D235-K240 WeakPolarHBondContact O-CD 3.43Å; D235-K240 WeakPolarHBondContact O-CE 3.33Å; D235-K240 PolarHBondContact O-NZ 2.85Å; D235-S382 WeakPolarHBondContact CB-OG 3.46Å; D235-S382 VanDerWaalsContact OD2-CB 3.28Å; D235-S382 WeakPolarHBondContact OD2-CB 3.46Å; D235-S382 PolarHBondContact OD2-OG 3.19Å
236N91.9Very high93.7Very high83 Ų8337.5 Ų37.544%0.44420%0.2SC..THydrogen-bonded Turntrans54.934.5-176.5-76.5-77.2000113.1L232 L233 D234 C238 N239 K240L232-N236 PolarHBondContact O-N 2.97Å; L233-N236 WeakPolarHBondContact O-CA 3.36Å; L233-N236 PolarHBondContact O-N 3.07Å; D234-N236 PolarHBondContact O-N 3.26Å; D234-N236 VanDerWaalsContact O-N 3.12Å; D234-N236 PolarHBondContact O-ND2 3.02Å; N236-C238 VanDerWaalsContact C-N 3.33Å; N236-C238 PolarHBondContact O-N 2.9Å; N236-N239 HydrophobicContact CB-CB 4.44Å; N236-N239 PolarHBondContact O-N 2.78Å; N236-N239 VanDerWaalsContact O-N 3.12Å; N236-N239 PolarHBondContact OD1-ND2 2.87Å; N236-K240 WeakPolarHBondContact O-CG 3.3Å; N236-K240 PolarHBondContact O-N 2.94Å
237F93Very high93.9Very high1 Ų135.4 Ų35.40%0.00419%0.189CC..Hα-helixtrans-55.2-45.9-175.6175.5-92.2000112.6F219 L221 L232 D235 N239 K240 L241 M246 L386F219-F237 HydrophobicContact CE2-CE1 4.41Å; F219-F237 HydrophobicContact CZ-CE1 4.34Å; F219-F237 HydrophobicContact CZ-CZ 4.39Å; L221-F237 HydrophobicContact CD2-CE1 3.76Å; L221-F237 HydrophobicContact CD2-CZ 3.79Å; L232-F237 HydrophobicContact CB-CB 4.12Å; L232-F237 HydrophobicContact CD2-CB 4.29Å; L232-F237 HydrophobicContact CD2-CD2 4.06Å; L232-F237 HydrophobicContact CD2-CG 4.23Å; L232-F237 WeakPolarHBondContact O-CB 3.44Å; L232-F237 PolarHBondContact O-N 3.04Å; D235-F237 PolarHBondContact O-N 2.81Å; F237-N239 PolarHBondContact O-N 2.95Å; F237-K240 PolarHBondContact O-N 3.13Å; F237-K240 VanDerWaalsContact O-N 3.16Å; F237-L241 HydrophobicContact CD2-CD1 4.1Å; F237-L241 HydrophobicContact CD2-CG 4.4Å; F237-L241 HydrophobicContact CE1-CD1 4.29Å; F237-L241 HydrophobicContact CE2-CD1 3.27Å; F237-L241 HydrophobicContact CE2-CG 4.01Å; F237-L241 HydrophobicContact CZ-CB 4.46Å; F237-L241 HydrophobicContact CZ-CD1 3.42Å; F237-L241 VanDerWaalsContact CZ-CD1 3.42Å; F237-L241 HydrophobicContact CZ-CG 4.27Å; F237-L241 PolarHBondContact O-N 2.59Å; F237-M246 HydrophobicContact CB-SD 4.35Å; F237-M246 HydrophobicContact CD1-CG 4.16Å; F237-M246 HydrophobicContact CD1-SD 3.36Å; F237-M246 WeakPolarHBondContact CD1-SD 3.22Å; F237-M246 HydrophobicContact CE1-CG 4.23Å; F237-M246 HydrophobicContact CE1-SD 3.97Å; F237-M246 HydrophobicContact CG-SD 4.19Å; F237-L386 HydrophobicContact CD2-CD1 4.15Å; F237-L386 HydrophobicContact CE2-CB 3.7Å; F237-L386 HydrophobicContact CE2-CD1 3.51Å; F237-L386 HydrophobicContact CE2-CG 4.26Å; F237-L386 HydrophobicContact CZ-CB 4.21Å; F237-L386 HydrophobicContact CZ-CD1 3.89Å
238C91.4Very high94.1Very high3 Ų332.5 Ų32.52%0.0217%0.165CC..Hα-helixtrans-67.4-26-177.1-620000113.1C196 N236 S242 M246C196-C238 HydrophobicContact CB-CB 3.99Å; C196-C238 VanDerWaalsContact SG-C 3.59Å; C196-C238 WeakPolarHBondContact SG-CB 3.22Å; N236-C238 VanDerWaalsContact C-N 3.33Å; N236-C238 PolarHBondContact O-N 2.9Å; C238-S242 WeakPolarHBondContact O-CA 3.43Å; C238-S242 WeakPolarHBondContact O-CB 3.26Å; C238-S242 PolarHBondContact O-N 3.15Å; C238-M246 VanDerWaalsContact SG-CG 3.57Å; C238-M246 PolarHBondContact SG-SD 3.25Å
239N90.4Very high94.1Very high84 Ų8432.4 Ų32.445%0.44916%0.164SC..Hα-helixtrans-77-42.1172.2-74.9-34.8000111.2C196 N236 F237 S242C196-N239 WeakPolarHBondContact CB-OD1 3.39Å; N236-N239 HydrophobicContact CB-CB 4.44Å; N236-N239 PolarHBondContact O-N 2.78Å; N236-N239 VanDerWaalsContact O-N 3.12Å; N236-N239 PolarHBondContact OD1-ND2 2.87Å; F237-N239 PolarHBondContact O-N 2.95Å; N239-S242 WeakPolarHBondContact O-CB 3.31Å
240K90.9Very high94Very high110 Ų11036.1 Ų36.148%0.47818%0.18SC..Hα-helixtrans-67.5-37.7-179.4-71172178.4168.60113.2D235 N236 F237D235-K240 WeakPolarHBondContact O-CD 3.43Å; D235-K240 WeakPolarHBondContact O-CE 3.33Å; D235-K240 PolarHBondContact O-NZ 2.85Å; N236-K240 WeakPolarHBondContact O-CG 3.3Å; N236-K240 PolarHBondContact O-N 2.94Å; F237-K240 PolarHBondContact O-N 3.13Å; F237-K240 VanDerWaalsContact O-N 3.16Å
241L91.7Very high94Very high15 Ų1533.8 Ų33.88%0.07917%0.174CC..THydrogen-bonded Turntrans-10929.4178.8-61.5-166.2000112.9F12 F219 F237 P387 L390F12-L241 HydrophobicContact CE1-CD2 4.06Å; F12-L241 HydrophobicContact CE2-CD2 4.08Å; F12-L241 HydrophobicContact CZ-CD1 4.21Å; F12-L241 HydrophobicContact CZ-CD2 3.62Å; F219-L241 HydrophobicContact CE1-CB 4.45Å; F219-L241 HydrophobicContact CZ-CB 4.18Å; F219-L241 HydrophobicContact CZ-CD1 4.42Å; F237-L241 HydrophobicContact CD2-CD1 4.1Å; F237-L241 HydrophobicContact CD2-CG 4.4Å; F237-L241 HydrophobicContact CE1-CD1 4.29Å; F237-L241 HydrophobicContact CE2-CD1 3.27Å; F237-L241 HydrophobicContact CE2-CG 4.01Å; F237-L241 HydrophobicContact CZ-CB 4.46Å; F237-L241 HydrophobicContact CZ-CD1 3.42Å; F237-L241 VanDerWaalsContact CZ-CD1 3.42Å; F237-L241 HydrophobicContact CZ-CG 4.27Å; F237-L241 PolarHBondContact O-N 2.59Å; L241-P387 HydrophobicContact CD1-CB 4.47Å; L241-P387 HydrophobicContact CD1-CG 4.08Å; L241-P387 HydrophobicContact CD2-CB 4.26Å; L241-P387 HydrophobicContact CD2-CG 4.2Å; L241-L390 HydrophobicContact CD1-CD1 3.84Å
242S91.1Very high94Very high54 Ų5433.1 Ų33.138%0.37818%0.181SC..  trans-63.9142.3177.1-1780000111.8F13 C238 N239F13-S242 VanDerWaalsContact CZ-O 3.24Å; F13-S242 WeakPolarHBondContact CZ-O 3.35Å; C238-S242 WeakPolarHBondContact O-CA 3.43Å; C238-S242 WeakPolarHBondContact O-CB 3.26Å; C238-S242 PolarHBondContact O-N 3.15Å; N239-S242 WeakPolarHBondContact O-CB 3.31Å
243P93.8Very high94Very high22 Ų2233.6 Ų33.614%0.14318%0.184CC..SBendcis-92.3129.71.434.6-32.4000112.2N181 D216 K218N181-P243 HydrophobicContact CB-CB 4.21Å; N181-P243 WeakPolarHBondContact ND2-CB 3.5Å; N181-P243 VanDerWaalsContact OD1-CA 3.31Å; N181-P243 WeakPolarHBondContact OD1-CA 3.43Å; D216-P243 WeakPolarHBondContact O-CG 3.42Å; K218-P243 HydrophobicContact CG-CG 3.86Å; K218-P243 PolarHBondContact N-O 2.89Å
244C95.7Very high94Very high0 Ų033.9 Ų33.90%019%0.186CC..EExtended strand (participates in β ladder)trans-148.9162.7179.673.40000112.5G180 N181 F219G180-C244 CarbonylContact C-O 3.59Å; G180-C244 VanDerWaalsContact CA-O 3.26Å; G180-C244 WeakPolarHBondContact CA-O 3.17Å; N181-C244 PolarHBondContact N-O 3.04Å; N181-C244 PolarHBondContact OD1-N 3.49Å; N181-C244 PolarHBondContact OD1-O 2.9Å; F219-C244 HydrophobicContact CD1-CB 3.9Å; F219-C244 HydrophobicContact CD2-CB 4.24Å; F219-C244 HydrophobicContact CE1-CB 3.38Å; F219-C244 HydrophobicContact CE2-CB 3.77Å; F219-C244 HydrophobicContact CG-CB 4.3Å; F219-C244 HydrophobicContact CZ-CB 3.31Å; F219-C244 WeakPolarHBondContact O-CA 3.38Å
245I97.2Very high93.9Very high0 Ų029.7 Ų29.70%016%0.163CC..EExtended strand (participates in β ladder)trans-120.2131170.3-64.5162000108.6I178 A179 L182 T215 A217 F219 V220 L221 I247 L264I178-I245 HydrophobicContact CG2-CG2 4.07Å; A179-I245 CarbonylContact O-C 3.58Å; L182-I245 HydrophobicContact CB-CD1 3.97Å; L182-I245 HydrophobicContact CB-CG1 4.2Å; L182-I245 HydrophobicContact CD1-CD1 4.16Å; L182-I245 HydrophobicContact CG-CD1 4.47Å; T215-I245 WeakPolarHBondContact OG1-CD1 3.45Å; A217-I245 HydrophobicContact CB-CD1 3.77Å; A217-I245 HydrophobicContact CB-CG1 3.76Å; F219-I245 PolarHBondContact O-N 3.37Å; V220-I245 CarbonylContact C-O 3.59Å; V220-I245 VanDerWaalsContact CA-O 3.26Å; V220-I245 WeakPolarHBondContact CA-O 3.5Å; V220-I245 HydrophobicContact CG2-CB 4.26Å; V220-I245 HydrophobicContact CG2-CD1 4.47Å; L221-I245 PolarHBondContact N-O 2.99Å; I245-I247 HydrophobicContact CG2-CD1 4.16Å; I245-I247 HydrophobicContact CG2-CG1 3.87Å; I245-L264 HydrophobicContact CD1-CD1 4.34Å; I245-L264 HydrophobicContact CD1-CD2 4.19Å
246M97.5Very high93.9Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-102138.3165.8-73.7175.444.600110.7I178 A179 L221 V223 F229 L232 L233 F237 C238I178-M246 WeakPolarHBondContact CA-O 3.36Å; A179-M246 PolarHBondContact N-O 3.42Å; A179-M246 PolarHBondContact O-N 3.43Å; L221-M246 HydrophobicContact CB-CG 4.28Å; L221-M246 HydrophobicContact CD2-CG 4.38Å; L221-M246 CarbonylContact O-C 3.59Å; L221-M246 VanDerWaalsContact O-CA 3.31Å; L221-M246 WeakPolarHBondContact O-CA 3.39Å; V223-M246 HydrophobicContact CG2-CE 4.32Å; F229-M246 HydrophobicContact CD2-CB 4.25Å; F229-M246 HydrophobicContact CD2-CE 3.55Å; F229-M246 HydrophobicContact CE2-CB 3.68Å; F229-M246 HydrophobicContact CE2-CE 3.83Å; F229-M246 HydrophobicContact CG-CE 4.12Å; L232-M246 HydrophobicContact CB-CE 3.51Å; L232-M246 HydrophobicContact CB-SD 4.07Å; L232-M246 HydrophobicContact CD1-CE 3.89Å; L232-M246 HydrophobicContact CD1-SD 4.43Å; L232-M246 HydrophobicContact CG-CE 4.36Å; L233-M246 HydrophobicContact CD2-CE 4.38Å; L233-M246 HydrophobicContact CG-CE 4.48Å; F237-M246 HydrophobicContact CB-SD 4.35Å; F237-M246 HydrophobicContact CD1-CG 4.16Å; F237-M246 HydrophobicContact CD1-SD 3.36Å; F237-M246 WeakPolarHBondContact CD1-SD 3.22Å; F237-M246 HydrophobicContact CE1-CG 4.23Å; F237-M246 HydrophobicContact CE1-SD 3.97Å; F237-M246 HydrophobicContact CG-SD 4.19Å; C238-M246 VanDerWaalsContact SG-CG 3.57Å; C238-M246 PolarHBondContact SG-SD 3.25Å
247I97.9Very high94.2Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-132.7138.5175.4-61.5174.9000108.8L177 I178 V220 L221 I222 V223 I245 T257 L260 V261 L264L177-I247 WeakPolarHBondContact O-CA 3.21Å; I178-I247 HydrophobicContact CG2-CG1 4.39Å; V220-I247 HydrophobicContact CG1-CD1 3.89Å; V220-I247 HydrophobicContact CG1-CG1 4.32Å; L221-I247 PolarHBondContact O-N 3.23Å; I222-I247 CarbonylContact C-O 3.55Å; I222-I247 VanDerWaalsContact CA-O 3.27Å; I222-I247 WeakPolarHBondContact CA-O 3.44Å; V223-I247 PolarHBondContact N-O 3.28Å; I245-I247 HydrophobicContact CG2-CD1 4.16Å; I245-I247 HydrophobicContact CG2-CG1 3.87Å; I247-T257 HydrophobicContact CG2-CG2 3.7Å; I247-L260 HydrophobicContact CD1-CD2 4.03Å; I247-L260 HydrophobicContact CD1-CG 4.41Å; I247-V261 HydrophobicContact CD1-CG2 3.82Å; I247-V261 HydrophobicContact CG2-CG2 4.35Å; I247-L264 HydrophobicContact CD1-CD1 3.7Å
248T97.8Very high94.3Very high0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans-126141167.1-177.80000111.1G176 L177 V223 E224 F229 K250G176-T248 CarbonylContact C-O 3.57Å; G176-T248 WeakPolarHBondContact CA-O 3.29Å; L177-T248 HydrophobicContact CB-CG2 3.8Å; L177-T248 HydrophobicContact CD1-CG2 4.27Å; L177-T248 HydrophobicContact CG-CG2 4.22Å; L177-T248 PolarHBondContact N-O 2.74Å; L177-T248 PolarHBondContact O-N 2.81Å; V223-T248 VanDerWaalsContact O-CA 3.29Å; V223-T248 WeakPolarHBondContact O-CA 3.49Å; V223-T248 WeakPolarHBondContact O-CB 3.28Å; V223-T248 PolarHBondContact O-OG1 2.88Å; E224-T248 PolarHBondContact O-OG1 2.66Å; F229-T248 HydrophobicContact CB-CG2 3.92Å; F229-T248 HydrophobicContact CD1-CG2 3.73Å; F229-T248 HydrophobicContact CD2-CG2 3.63Å; F229-T248 HydrophobicContact CE1-CG2 4.07Å; F229-T248 HydrophobicContact CE2-CG2 3.99Å; F229-T248 HydrophobicContact CG-CG2 3.49Å; F229-T248 VanDerWaalsContact CG-CG2 3.49Å; F229-T248 HydrophobicContact CZ-CG2 4.22Å; T248-K250 HydrophobicContact CG2-CG 4.36Å; T248-K250 PolarHBondContact OG1-N 3.41Å
249G96.3Very high94.5Very high1 Ų126.6 Ų26.61%0.0115%0.146CC..  trans-94.61.7169.400000113.2K175K175-G249 WeakPolarHBondContact CE-O 3.48Å; K175-G249 PolarHBondContact NZ-O 3.11Å
250K95.2Very high94.8Very high78 Ų7822.6 Ų22.634%0.33913%0.125SC..SBendtrans50.763.4-171-49.1-167.6179.5-150.10111.1K175 D226 T248K175-K250 HydrophobicContact CD-CB 4.43Å; K175-K250 PolarHBondContact NZ-O 3.46Å; K175-K250 WeakPolarHBondContact O-CD 3.24Å; K175-K250 WeakPolarHBondContact O-CE 3.48Å; D226-K250 HydrophobicContact CB-CB 4.37Å; D226-K250 HydrophobicContact CB-CD 4.13Å; D226-K250 HydrophobicContact CB-CG 3.96Å; D226-K250 IonicContact OD1-NZ 3.01Å; D226-K250 WeakPolarHBondContact OD2-CD 3.13Å; D226-K250 VanDerWaalsContact OD2-CE 3.28Å; D226-K250 WeakPolarHBondContact OD2-CE 3.29Å; D226-K250 IonicContact OD2-NZ 2.84Å; D226-K250 PolarHBondContact OD2-NZ 3.19Å; T248-K250 HydrophobicContact CG2-CG 4.36Å; T248-K250 PolarHBondContact OG1-N 3.41Å
251G94.4Very high95.1Very high18 Ų1817.5 Ų17.519%0.18610%0.102CC..SBendtrans86.5-136-170.400000112.3E224E224-G251 PolarHBondContact O-N 3.46Å
252V94.4Very high95.3Very high82 Ų8218.3 Ų18.350%0.49711%0.105SC..SBendtrans-56.3124.3177.6179.90000110.2K175 I285 I288K175-V252 VanDerWaalsContact CE-O 3.26Å; K175-V252 WeakPolarHBondContact CE-O 3.34Å; K175-V252 PolarHBondContact NZ-O 3.44Å; V252-I285 HydrophobicContact CG2-CD1 4.21Å; V252-I285 HydrophobicContact CG2-CG1 3.93Å; V252-I288 HydrophobicContact CG1-CD1 3.91Å
253P94.7Very high95.5Very high12 Ų1217.9 Ų17.98%0.07810%0.097CC..PPolyproline II helixtrans-74.4143.1-170.631.5-38.9000112.7R258 I288 Y289P253-R258 HydrophobicContact CB-CG 3.94Å; P253-R258 HydrophobicContact CG-CG 3.92Å; P253-I288 HydrophobicContact CG-CB 4.49Å; P253-I288 HydrophobicContact CG-CG2 3.78Å; P253-Y289 HydrophobicContact CB-CD2 4.44Å; P253-Y289 HydrophobicContact CB-CE1 3.83Å; P253-Y289 HydrophobicContact CB-CE2 3.66Å; P253-Y289 WeakPolarHBondContact CB-OH 3.29Å; P253-Y289 HydrophobicContact CG-CD1 4.43Å; P253-Y289 HydrophobicContact CG-CD2 3.91Å; P253-Y289 HydrophobicContact CG-CE1 4.12Å; P253-Y289 HydrophobicContact CG-CE2 3.57Å; P253-Y289 HydrophobicContact CG-CG 4.34Å
254D92.4Very high95.6Very high20 Ų2017 Ų1711%0.1079%0.091CC..PPolyproline II helixtrans-76170.6169.866.363.5000112K175 G176 N256 T257 R258K175-D254 HydrophobicContact CG-CB 4.35Å; K175-D254 WeakPolarHBondContact CG-OD2 3.45Å; K175-D254 PolarHBondContact N-OD2 3.27Å; G176-D254 PolarHBondContact N-OD2 3.23Å; D254-N256 VanDerWaalsContact C-N 3.34Å; D254-N256 PolarHBondContact O-N 3.08Å; D254-N256 WeakPolarHBondContact OD1-CA 3.19Å; D254-N256 PolarHBondContact OD1-N 3.17Å; D254-T257 VanDerWaalsContact CG-OG1 3.26Å; D254-T257 PolarHBondContact O-N 3.11Å; D254-T257 PolarHBondContact OD1-N 3.16Å; D254-T257 PolarHBondContact OD1-OG1 2.95Å; D254-T257 VanDerWaalsContact OD1-OG1 3.04Å; D254-T257 PolarHBondContact OD2-OG1 3.24Å; D254-R258 WeakPolarHBondContact O-CG 3.08Å; D254-R258 PolarHBondContact O-N 3.19Å
255L91.1Very high95.6Very high20 Ų2017.8 Ų17.811%0.1059%0.094CC..Hα-helixtrans-57.9-44.9-179-179.575.3000111.9S172 R258 L259 M296 L303S172-L255 WeakPolarHBondContact OG-CB 3.01Å; S172-L255 WeakPolarHBondContact OG-CD2 3.19Å; L255-R258 PolarHBondContact O-N 2.98Å; L255-L259 HydrophobicContact CD2-CD1 4.31Å; L255-L259 HydrophobicContact CG-CD1 3.91Å; L255-L259 HydrophobicContact CG-CG 4.38Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.25Å; L255-L259 PolarHBondContact O-N 3.12Å; L255-M296 HydrophobicContact CD1-CE 3.34Å; L255-L303 HydrophobicContact CD1-CD1 3.71Å; L255-L303 HydrophobicContact CD1-CD2 3.49Å; L255-L303 VanDerWaalsContact CD1-CD2 3.49Å; L255-L303 HydrophobicContact CD1-CG 4.23Å; L255-L303 HydrophobicContact CG-CD2 4.4Å
256N93.9Very high95.4Very high7 Ų721.4 Ų21.44%0.03711%0.113CC..Hα-helixtrans-71.5-37.5-173.3-61.7-24.6000111S172 V203 S205 I207 D254 R258 L259 L260S172-N256 PolarHBondContact O-ND2 2.85Å; V203-N256 HydrophobicContact CG1-CB 4Å; S205-N256 PolarHBondContact O-ND2 3.28Å; I207-N256 HydrophobicContact CD1-CB 4.3Å; I207-N256 HydrophobicContact CG1-CB 4Å; I207-N256 WeakPolarHBondContact CG1-O 3.14Å; D254-N256 VanDerWaalsContact C-N 3.34Å; D254-N256 PolarHBondContact O-N 3.08Å; D254-N256 WeakPolarHBondContact OD1-CA 3.19Å; D254-N256 PolarHBondContact OD1-N 3.17Å; N256-R258 VanDerWaalsContact C-N 3.32Å; N256-R258 PolarHBondContact O-N 3.48Å; N256-L259 PolarHBondContact O-N 2.73Å; N256-L260 WeakPolarHBondContact O-CB 3.45Å; N256-L260 PolarHBondContact O-N 2.88Å
257T96.5Very high95.3Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-61-42.9173.9-54.30000110.9I247 D254 L260 V261 Y289I247-T257 HydrophobicContact CG2-CG2 3.7Å; D254-T257 VanDerWaalsContact CG-OG1 3.26Å; D254-T257 PolarHBondContact O-N 3.11Å; D254-T257 PolarHBondContact OD1-N 3.16Å; D254-T257 PolarHBondContact OD1-OG1 2.95Å; D254-T257 VanDerWaalsContact OD1-OG1 3.04Å; D254-T257 PolarHBondContact OD2-OG1 3.24Å; T257-L260 PolarHBondContact O-N 2.92Å; T257-V261 WeakPolarHBondContact O-CG2 2.99Å; T257-V261 PolarHBondContact O-N 2.73Å; T257-V261 VanDerWaalsContact O-N 3.12Å; T257-Y289 HydrophobicContact CG2-CE1 4.29Å; T257-Y289 VanDerWaalsContact CG2-OH 3.23Å; T257-Y289 WeakPolarHBondContact CG2-OH 3.48Å
258R96.1Very high95.2Very high5 Ų526.9 Ų26.92%0.01914%0.143CC..Hα-helixtrans-66.5-43.7175.7-67.4174.365.2-167.3-3.4112.4P253 D254 L255 N256 L260 V261 K262 I288 Y289 L303P253-R258 HydrophobicContact CB-CG 3.94Å; P253-R258 HydrophobicContact CG-CG 3.92Å; D254-R258 WeakPolarHBondContact O-CG 3.08Å; D254-R258 PolarHBondContact O-N 3.19Å; L255-R258 PolarHBondContact O-N 2.98Å; N256-R258 VanDerWaalsContact C-N 3.32Å; N256-R258 PolarHBondContact O-N 3.48Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.69Å; R258-V261 PolarHBondContact O-N 3.1Å; R258-K262 WeakPolarHBondContact O-CB 3.25Å; R258-K262 PolarHBondContact O-N 3.26Å; R258-I288 PolarHBondContact NH2-O 2.94Å; R258-Y289 HydrophobicContact CG-CD1 4.1Å; R258-Y289 HydrophobicContact CG-CE1 4.1Å; R258-L303 HydrophobicContact CB-CD2 4.13Å; R258-L303 PolarHBondContact NE-O 2.81Å; R258-L303 PolarHBondContact NH2-O 2.88Å
259L94.9Very high95.1Very high31 Ų3129.5 Ų29.516%0.16216%0.155CC..Hα-helixtrans-58.9-40.8175.6-76.3169.6000111.5I207 L255 N256 K262 K263 H302 L303I207-L259 HydrophobicContact CB-CB 3.95Å; I207-L259 HydrophobicContact CG1-CB 3.85Å; I207-L259 HydrophobicContact CG1-CD1 4.49Å; I207-L259 HydrophobicContact CG2-CB 3.94Å; L255-L259 HydrophobicContact CD2-CD1 4.31Å; L255-L259 HydrophobicContact CG-CD1 3.91Å; L255-L259 HydrophobicContact CG-CG 4.38Å; L255-L259 WeakPolarHBondContact O-CB 3.45Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.25Å; L255-L259 PolarHBondContact O-N 3.12Å; N256-L259 PolarHBondContact O-N 2.73Å; L259-K262 PolarHBondContact O-N 3.44Å; L259-K263 VanDerWaalsContact O-CB 3.32Å; L259-K263 WeakPolarHBondContact O-CB 3.36Å; L259-K263 PolarHBondContact O-N 2.97Å; L259-H302 HydrophobicContact CD2-CB 4.34Å; L259-H302 WeakPolarHBondContact CD2-O 3.18Å; L259-L303 HydrophobicContact CD2-CD2 3.6Å; L259-L303 HydrophobicContact CG-CD2 3.61Å
260L96.4Very high95Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-65-49.9178.2176.768000111.5I178 V203 I207 I247 N256 T257 R258 K262 K263 L264I178-L260 HydrophobicContact CD1-CD2 3.27Å; I178-L260 HydrophobicContact CG1-CD2 3.57Å; V203-L260 HydrophobicContact CG1-CB 4.44Å; V203-L260 HydrophobicContact CG1-CD2 4.23Å; V203-L260 HydrophobicContact CG2-CD2 3.96Å; I207-L260 HydrophobicContact CD1-CB 4.07Å; I247-L260 HydrophobicContact CD1-CD2 4.03Å; I247-L260 HydrophobicContact CD1-CG 4.41Å; N256-L260 WeakPolarHBondContact O-CB 3.45Å; N256-L260 PolarHBondContact O-N 2.88Å; T257-L260 PolarHBondContact O-N 2.92Å; R258-L260 VanDerWaalsContact C-N 3.29Å; R258-L260 PolarHBondContact O-N 2.69Å; L260-K262 VanDerWaalsContact C-N 3.25Å; L260-K262 PolarHBondContact O-N 2.98Å; L260-K263 PolarHBondContact O-N 3.47Å; L260-K263 VanDerWaalsContact O-N 3.14Å; L260-L264 HydrophobicContact CD1-CG 4.46Å; L260-L264 HydrophobicContact CG-CD1 4.28Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.14Å
261V97.5Very high95.1Very high2 Ų225.9 Ų25.91%0.01214%0.14CC..Hα-helixtrans-57.4-43.3177.41710000110.3I222 I247 T257 R258 L264 W265 V272 Y289 V305I222-V261 HydrophobicContact CD1-CG1 3.92Å; I222-V261 HydrophobicContact CD1-CG2 4.02Å; I222-V261 HydrophobicContact CG1-CG2 4.33Å; I247-V261 HydrophobicContact CD1-CG2 3.82Å; I247-V261 HydrophobicContact CG2-CG2 4.35Å; T257-V261 WeakPolarHBondContact O-CG2 2.99Å; T257-V261 PolarHBondContact O-N 2.73Å; T257-V261 VanDerWaalsContact O-N 3.12Å; R258-V261 PolarHBondContact O-N 3.1Å; V261-L264 PolarHBondContact O-N 2.79Å; V261-W265 WeakPolarHBondContact O-CB 3.33Å; V261-W265 PolarHBondContact O-N 3.35Å; V261-V272 HydrophobicContact CG1-CG1 4.15Å; V261-Y289 HydrophobicContact CB-CE1 4.49Å; V261-Y289 HydrophobicContact CG1-CD1 4.48Å; V261-Y289 HydrophobicContact CG2-CD1 4.39Å; V261-Y289 HydrophobicContact CG2-CE1 3.94Å; V261-V305 HydrophobicContact CG1-CG2 3.99Å
262K96.1Very high95.2Very high32 Ų3225 Ų2514%0.13913%0.131CC..Hα-helixtrans-62.7-45.6174.8179.653.9163.7159.70112.3R258 L259 L260 L264 W265 D266 H301 H302 T304 V305R258-K262 WeakPolarHBondContact O-CB 3.25Å; R258-K262 PolarHBondContact O-N 3.26Å; L259-K262 PolarHBondContact O-N 3.44Å; L260-K262 VanDerWaalsContact C-N 3.25Å; L260-K262 PolarHBondContact O-N 2.98Å; K262-L264 VanDerWaalsContact C-N 3.34Å; K262-L264 PolarHBondContact O-N 2.94Å; K262-W265 WeakPolarHBondContact O-CB 3.49Å; K262-W265 PolarHBondContact O-N 3.36Å; K262-D266 WeakPolarHBondContact CD-OD1 3.33Å; K262-D266 WeakPolarHBondContact CD-OD2 3.32Å; K262-D266 WeakPolarHBondContact CE-OD1 3.49Å; K262-D266 WeakPolarHBondContact CE-OD2 3.39Å; K262-D266 WeakPolarHBondContact CG-OD2 3.35Å; K262-D266 VanDerWaalsContact NZ-CG 3.33Å; K262-D266 IonicContact NZ-OD1 3.79Å; K262-D266 PolarHBondContact NZ-OD1 2.95Å; K262-D266 IonicContact NZ-OD2 2.78Å; K262-D266 PolarHBondContact NZ-OD2 2.96Å; K262-D266 WeakPolarHBondContact O-CB 3.36Å; K262-D266 PolarHBondContact O-N 3.43Å; K262-H301 WeakPolarHBondContact CE-O 3.38Å; K262-H302 WeakPolarHBondContact CG-O 3.25Å; K262-T304 VanDerWaalsContact CD-O 3.31Å; K262-T304 WeakPolarHBondContact CD-O 3.28Å; K262-V305 HydrophobicContact CB-CG2 4.19Å; K262-V305 HydrophobicContact CD-CG2 4.01Å
263K95.4Very high95.4Very high46 Ų4621.1 Ų21.120%0.211%0.107CC..Hα-helixtrans-61.6-39.8177.8-172.1164.1-178.4161.30112.1I207 Q208 I210 L213 L259 L260 T267I207-K263 HydrophobicContact CG2-CB 4.31Å; I207-K263 HydrophobicContact CG2-CD 3.84Å; I207-K263 PolarHBondContact O-NZ 2.95Å; Q208-K263 PolarHBondContact O-NZ 2.94Å; I210-K263 PolarHBondContact O-NZ 3.47Å; L213-K263 HydrophobicContact CD2-CD 4.42Å; L213-K263 HydrophobicContact CD2-CG 4Å; L259-K263 VanDerWaalsContact O-CB 3.32Å; L259-K263 WeakPolarHBondContact O-CB 3.36Å; L259-K263 PolarHBondContact O-N 2.97Å; L260-K263 PolarHBondContact O-N 3.47Å; L260-K263 VanDerWaalsContact O-N 3.14Å; K263-T267 VanDerWaalsContact O-CB 3.24Å; K263-T267 WeakPolarHBondContact O-CB 3.49Å; K263-T267 PolarHBondContact O-N 2.76Å; K263-T267 PolarHBondContact O-OG1 2.81Å
264L96.3Very high95.6Very high2 Ų220.6 Ų20.61%0.0110%0.104CC..Hα-helixtrans-63.7-43.6174.2-71.1171.7000111.8L182 L213 V220 I245 I247 L260 V261 K262 F268L182-L264 HydrophobicContact CD1-CD2 3.7Å; L182-L264 HydrophobicContact CD2-CD2 4.27Å; L213-L264 HydrophobicContact CD2-CD2 4.39Å; V220-L264 HydrophobicContact CG2-CD1 4.25Å; I245-L264 HydrophobicContact CD1-CD1 4.34Å; I245-L264 HydrophobicContact CD1-CD2 4.19Å; I247-L264 HydrophobicContact CD1-CD1 3.7Å; L260-L264 HydrophobicContact CD1-CG 4.46Å; L260-L264 HydrophobicContact CG-CD1 4.28Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.14Å; V261-L264 PolarHBondContact O-N 2.79Å; K262-L264 VanDerWaalsContact C-N 3.34Å; K262-L264 PolarHBondContact O-N 2.94Å; L264-F268 HydrophobicContact CD2-CD2 4.29Å; L264-F268 HydrophobicContact CD2-CE2 4.33Å; L264-F268 PolarHBondContact O-N 3.23Å
265W95.9Very high95.9Very high17 Ų1719.7 Ų19.76%0.06410%0.099CC..Hα-helixtrans-63.1-50.1176.1172.8-105.1000112.2L23 L27 V261 K262 T267 H269 V272 V305 A307L23-W265 HydrophobicContact CB-CH2 3.94Å; L23-W265 HydrophobicContact CD1-CH2 3.86Å; L23-W265 HydrophobicContact CD1-CZ3 3.92Å; L23-W265 HydrophobicContact CG-CH2 4.34Å; L27-W265 HydrophobicContact CD1-CH2 4.48Å; L27-W265 HydrophobicContact CD1-CZ2 3.94Å; V261-W265 WeakPolarHBondContact O-CB 3.33Å; V261-W265 PolarHBondContact O-N 3.35Å; K262-W265 WeakPolarHBondContact O-CB 3.49Å; K262-W265 PolarHBondContact O-N 3.36Å; W265-T267 VanDerWaalsContact C-N 3.34Å; W265-T267 PolarHBondContact O-N 2.62Å; W265-H269 HydrophobicContact CH2-CB 4.47Å; W265-H269 HydrophobicContact CZ3-CB 4.3Å; W265-H269 WeakPolarHBondContact O-CA 3.35Å; W265-H269 PolarHBondContact O-N 3.27Å; W265-V272 HydrophobicContact CE3-CG2 4.49Å; W265-V305 HydrophobicContact CB-CG1 3.84Å; W265-V305 HydrophobicContact CB-CG2 3.9Å; W265-V305 HydrophobicContact CD2-CG1 3.78Å; W265-V305 HydrophobicContact CE3-CG1 4.33Å; W265-V305 HydrophobicContact CG-CB 4.47Å; W265-V305 HydrophobicContact CG-CG1 3.51Å; W265-V305 HydrophobicContact CG-CG2 4.17Å; W265-A307 HydrophobicContact CD2-CB 4.14Å; W265-A307 HydrophobicContact CE3-CB 4.04Å; W265-A307 HydrophobicContact CH2-CB 3.38Å; W265-A307 HydrophobicContact CZ2-CB 3.44Å; W265-A307 VanDerWaalsContact CZ2-CB 3.44Å; W265-A307 HydrophobicContact CZ3-CB 3.68Å
266D93.6Very high96.2Very high77 Ų7718.8 Ų18.841%0.4129%0.094SC..Hα-helixtrans-67.8-34.8-176.3-69.1-16.7000112.5K262 H269K262-D266 WeakPolarHBondContact CD-OD1 3.33Å; K262-D266 WeakPolarHBondContact CD-OD2 3.32Å; K262-D266 WeakPolarHBondContact CE-OD1 3.49Å; K262-D266 WeakPolarHBondContact CE-OD2 3.39Å; K262-D266 WeakPolarHBondContact CG-OD2 3.35Å; K262-D266 VanDerWaalsContact NZ-CG 3.33Å; K262-D266 IonicContact NZ-OD1 3.79Å; K262-D266 PolarHBondContact NZ-OD1 2.95Å; K262-D266 IonicContact NZ-OD2 2.78Å; K262-D266 PolarHBondContact NZ-OD2 2.96Å; K262-D266 WeakPolarHBondContact O-CB 3.36Å; K262-D266 PolarHBondContact O-N 3.43Å; D266-H269 PolarHBondContact O-CE1 3.35Å
267T94.9Very high96.4Very high74 Ų7418.8 Ų18.845%0.4549%0.094SC..Hα-helixtrans-81.1-44.2-177.1-49.60000111.6K263 W265K263-T267 VanDerWaalsContact O-CB 3.24Å; K263-T267 WeakPolarHBondContact O-CB 3.49Å; K263-T267 PolarHBondContact O-N 2.76Å; K263-T267 PolarHBondContact O-OG1 2.81Å; W265-T267 VanDerWaalsContact C-N 3.34Å; W265-T267 PolarHBondContact O-N 2.62Å
268F95.3Very high96.4Very high41 Ų4118.9 Ų18.918%0.1810%0.095CC..Hα-helixtrans-117.7-13.4-169-55.2-73.5000113.9R20 L213 T215 L264 V270R20-F268 PolarHBondContact NH2-O 3.34Å; L213-F268 HydrophobicContact CB-CE2 4.48Å; L213-F268 HydrophobicContact CB-CZ 4.34Å; L213-F268 HydrophobicContact CD2-CE2 3.66Å; L213-F268 HydrophobicContact CD2-CZ 4.31Å; L213-F268 HydrophobicContact CG-CE2 3.71Å; L213-F268 HydrophobicContact CG-CZ 4Å; L213-F268 WeakPolarHBondContact O-CZ 3.44Å; T215-F268 HydrophobicContact CG2-CB 4.26Å; T215-F268 HydrophobicContact CG2-CD1 3.78Å; T215-F268 HydrophobicContact CG2-CD2 3.35Å; T215-F268 HydrophobicContact CG2-CE1 3.88Å; T215-F268 HydrophobicContact CG2-CE2 3.47Å; T215-F268 VanDerWaalsContact CG2-CE2 3.47Å; T215-F268 HydrophobicContact CG2-CG 3.52Å; T215-F268 HydrophobicContact CG2-CZ 3.74Å; L264-F268 HydrophobicContact CD2-CD2 4.29Å; L264-F268 HydrophobicContact CD2-CE2 4.33Å; L264-F268 PolarHBondContact O-N 3.23Å; F268-V270 HydrophobicContact CB-CG2 3.58Å; F268-V270 PolarHBondContact O-N 3.2Å
269H95.1Very high96.5Very high54 Ų5419.6 Ų19.625%0.2510%0.099CC..  trans53.537.6-175.2-55.482.7000112.1R20 L24 L27 W265 D266R20-H269 WeakPolarHBondContact CG-O 3.5Å; R20-H269 PolarHBondContact NE-O 3.07Å; L24-H269 HydrophobicContact CD2-CB 3.64Å; L24-H269 HydrophobicContact CG-CB 4.42Å; L27-H269 WeakPolarHBondContact CD1-CD2 3.24Å; W265-H269 HydrophobicContact CH2-CB 4.47Å; W265-H269 HydrophobicContact CZ3-CB 4.3Å; W265-H269 WeakPolarHBondContact O-CA 3.35Å; W265-H269 PolarHBondContact O-N 3.27Å; D266-H269 PolarHBondContact O-CE1 3.35Å
270V94.4Very high96.6Very high3 Ų318.1 Ų18.12%0.0189%0.092CC..  trans-73.7128.9177.8176.70000108.1F219 V220 F268 V272F219-V270 VanDerWaalsContact CA-CG1 3.42Å; V220-V270 HydrophobicContact CG2-CB 4.32Å; V220-V270 HydrophobicContact CG2-CG1 3.84Å; F268-V270 HydrophobicContact CB-CG2 3.58Å; F268-V270 PolarHBondContact O-N 3.2Å; V270-V272 VanDerWaalsContact O-CG2 3.3Å; V270-V272 WeakPolarHBondContact O-CG2 3.26Å; V270-V272 PolarHBondContact O-N 3.04Å
271P96.8Very high96.7Very high0 Ų022.7 Ų22.70%011%0.112CC..  trans-52.5132174.8-28.535.5000112.1R20 K218 F219 V220 F273R20-P271 HydrophobicContact CB-CG 3.72Å; R20-P271 HydrophobicContact CG-CG 4.15Å; K218-P271 WeakPolarHBondContact O-CD 3.38Å; F219-P271 CarbonylContact C-O 3.54Å; F219-P271 WeakPolarHBondContact CA-O 3.49Å; V220-P271 PolarHBondContact N-O 2.94Å; P271-F273 HydrophobicContact CB-CE2 3.8Å; P271-F273 HydrophobicContact CB-CZ 4.03Å
272V98.3Very high96.7Very high1 Ų122.6 Ų22.61%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-114.7126.4-176.9-170.50000109.8V220 I222 V261 W265 V270 V305 I308 R309V220-V272 HydrophobicContact CB-CB 4.48Å; V220-V272 HydrophobicContact CB-CG1 4.19Å; V220-V272 HydrophobicContact CB-CG2 4.24Å; V220-V272 HydrophobicContact CG1-CG1 4.2Å; V220-V272 WeakPolarHBondContact O-CA 3.31Å; I222-V272 HydrophobicContact CD1-CG1 3.56Å; I222-V272 HydrophobicContact CG1-CG1 3.98Å; V261-V272 HydrophobicContact CG1-CG1 4.15Å; W265-V272 HydrophobicContact CE3-CG2 4.49Å; V270-V272 VanDerWaalsContact O-CG2 3.3Å; V270-V272 WeakPolarHBondContact O-CG2 3.26Å; V270-V272 PolarHBondContact O-N 3.04Å; V272-V305 HydrophobicContact CG2-CG1 4.33Å; V272-I308 HydrophobicContact CB-CG1 3.78Å; V272-I308 HydrophobicContact CG1-CD1 4.2Å; V272-I308 HydrophobicContact CG1-CG1 3.68Å; V272-I308 CarbonylContact O-C 3.45Å; V272-I308 WeakPolarHBondContact O-CA 3.36Å; V272-R309 PolarHBondContact O-N 2.79Å
273F98.5Very high96.7Very high0 Ų021 Ų210%011%0.105CC..EExtended strand (participates in β ladder)trans-117145.3-179.5-62.5-74.3000110.7L16 F219 V220 L221 I222 P271 R309 L311 L390 W395L16-F273 HydrophobicContact CD2-CE2 3.49Å; L16-F273 VanDerWaalsContact CD2-CE2 3.49Å; L16-F273 HydrophobicContact CD2-CZ 3.44Å; L16-F273 VanDerWaalsContact CD2-CZ 3.44Å; F219-F273 HydrophobicContact CB-CD2 3.88Å; F219-F273 HydrophobicContact CB-CE2 3.71Å; F219-F273 HydrophobicContact CD2-CD2 4.17Å; F219-F273 HydrophobicContact CG-CD2 4.38Å; F219-F273 HydrophobicContact CG-CE2 4.44Å; V220-F273 PolarHBondContact O-N 2.91Å; L221-F273 HydrophobicContact CD1-CB 4.16Å; I222-F273 PolarHBondContact N-O 2.76Å; P271-F273 HydrophobicContact CB-CE2 3.8Å; P271-F273 HydrophobicContact CB-CZ 4.03Å; F273-R309 CarbonylContact C-O 3.57Å; F273-R309 WeakPolarHBondContact CA-O 3.14Å; F273-R309 HydrophobicContact CD1-CB 3.71Å; F273-R309 HydrophobicContact CE1-CB 3.85Å; F273-R309 HydrophobicContact CE1-CG 4.31Å; F273-L311 HydrophobicContact CB-CB 4.15Å; F273-L311 HydrophobicContact CB-CD2 4.27Å; F273-L311 HydrophobicContact CD1-CD1 4.3Å; F273-L390 HydrophobicContact CD2-CD2 3.96Å; F273-L390 HydrophobicContact CE2-CD2 4.02Å; F273-L390 HydrophobicContact CG-CD2 4.33Å; F273-L390 HydrophobicContact CZ-CD2 4.45Å; F273-W395 HydrophobicContact CD1-CB 4.23Å; F273-W395 HydrophobicContact CD1-CD2 4.23Å; F273-W395 HydrophobicContact CD1-CG 4.07Å; F273-W395 HydrophobicContact CE1-CB 4.23Å; F273-W395 AromaticContact CE1-CD1 3.86Å; F273-W395 AromaticContact CE1-CD2 3.42Å; F273-W395 HydrophobicContact CE1-CD2 3.42Å; F273-W395 VanDerWaalsContact CE1-CD2 3.42Å; F273-W395 AromaticContact CE1-CE2 3.61Å; F273-W395 AromaticContact CE1-CE3 3.89Å; F273-W395 HydrophobicContact CE1-CE3 3.89Å; F273-W395 AromaticContact CE1-CG 3.58Å; F273-W395 HydrophobicContact CE1-CG 3.58Å; F273-W395 HydrophobicContact CE1-CZ2 4.19Å; F273-W395 HydrophobicContact CE1-CZ3 4.42Å; F273-W395 AromaticContact CE1-NE1 3.84Å; F273-W395 HydrophobicContact CZ-CD2 4.12Å; F273-W395 HydrophobicContact CZ-CE3 4.33Å; F273-W395 HydrophobicContact CZ-CH2 4.31Å; F273-W395 HydrophobicContact CZ-CZ2 4.13Å; F273-W395 HydrophobicContact CZ-CZ3 4.42Å
274T98.3Very high96.8Very high1 Ų120.3 Ų20.31%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-114129.3173.949.40000111.1I222 M286 I308 R309 L311I222-T274 HydrophobicContact CB-CG2 3.92Å; I222-T274 HydrophobicContact CD1-CG2 4.01Å; I222-T274 HydrophobicContact CG1-CG2 4.49Å; I222-T274 HydrophobicContact CG2-CG2 4.23Å; I222-T274 WeakPolarHBondContact O-CA 3.27Å; T274-M286 HydrophobicContact CG2-CG 4.21Å; T274-M286 WeakPolarHBondContact OG1-CG 3.13Å; T274-M286 PolarHBondContact OG1-SD 3.46Å; T274-M286 VanDerWaalsContact OG1-SD 3.34Å; T274-I308 HydrophobicContact CG2-CG2 3.54Å; T274-R309 PolarHBondContact N-O 2.92Å; T274-R309 PolarHBondContact OG1-O 3.12Å; T274-L311 WeakPolarHBondContact O-CB 3.47Å; T274-L311 PolarHBondContact O-N 3.26Å
275L98.4Very high96.8Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-109106.7168.5-179.668.9000108.4L221 I222 V223 E224 T228 L232 G312 I370 L381 Y385 L386L221-L275 HydrophobicContact CD1-CB 4.02Å; I222-L275 PolarHBondContact O-N 2.77Å; V223-L275 HydrophobicContact CG1-CD2 4.42Å; V223-L275 HydrophobicContact CG2-CD2 4.48Å; E224-L275 PolarHBondContact N-O 2.88Å; T228-L275 HydrophobicContact CG2-CD2 4.24Å; L232-L275 HydrophobicContact CD1-CD2 4.37Å; L275-G312 CarbonylContact C-O 3.57Å; L275-G312 VanDerWaalsContact CA-O 3.28Å; L275-G312 WeakPolarHBondContact CA-O 3.35Å; L275-I370 HydrophobicContact CD1-CD1 4.32Å; L275-I370 HydrophobicContact CD1-CG1 4.4Å; L275-I370 HydrophobicContact CD2-CD1 4.35Å; L275-I370 HydrophobicContact CG-CD1 3.81Å; L275-I370 HydrophobicContact CG-CG1 4.41Å; L275-L381 HydrophobicContact CD2-CD1 4.22Å; L275-L381 HydrophobicContact CD2-CD2 4.38Å; L275-Y385 HydrophobicContact CD1-CE1 4.31Å; L275-L386 HydrophobicContact CD1-CD2 4.13Å; L275-L386 HydrophobicContact CD2-CD1 4.31Å; L275-L386 HydrophobicContact CD2-CD2 4.09Å
276V97.9Very high96.8Very high2 Ų219.7 Ų19.71%0.01210%0.101CC..  trans-126.3161.3-176.3-62.20000110.1E224 G282 M286 W310 G312 L313E224-V276 HydrophobicContact CB-CB 4.45Å; E224-V276 HydrophobicContact CB-CG1 4.19Å; E224-V276 WeakPolarHBondContact OE2-CA 3.23Å; E224-V276 VanDerWaalsContact OE2-CB 3.29Å; E224-V276 WeakPolarHBondContact OE2-CB 3.26Å; V276-G282 WeakPolarHBondContact CG1-O 3.37Å; V276-M286 HydrophobicContact CG1-CB 4.32Å; V276-W310 HydrophobicContact CG2-CZ2 4.46Å; V276-W310 VanDerWaalsContact CG2-NE1 3.34Å; V276-G312 PolarHBondContact N-O 3.47Å; V276-G312 CarbonylContact O-C 3.44Å; V276-L313 PolarHBondContact O-N 2.99Å
277D97.5Very high96.9Very high7 Ų716.1 Ų16.14%0.0378%0.081CC..  trans-64.6151.4173-71.7-22.5000110.5E224 D279 I370E224-D277 PolarHBondContact OE2-N 3.28Å; D277-D279 PolarHBondContact O-N 2.85Å; D277-I370 WeakPolarHBondContact OD1-CD1 3.27Å; D277-I370 WeakPolarHBondContact OD1-CG1 3.32Å; D277-I370 PolarHBondContact OD1-N 3.12Å
278A97.3Very high96.9Very high1 Ų113.5 Ų13.51%0.0086%0.064CC..BIsolated β-bridgetrans-80.663.3177.900000109.9L313 L318 M361 K367 A368A278-L313 HydrophobicContact CB-CB 4.18Å; A278-L313 HydrophobicContact CB-CD2 4.15Å; A278-L313 HydrophobicContact CB-CG 3.99Å; A278-L313 WeakPolarHBondContact CB-O 3.42Å; A278-L318 HydrophobicContact CB-CD1 4.26Å; A278-M361 VanDerWaalsContact C-CE 3.46Å; A278-M361 WeakPolarHBondContact O-CE 3.41Å; A278-K367 VanDerWaalsContact O-CA 3.28Å; A278-K367 WeakPolarHBondContact O-CA 3.35Å; A278-K367 VanDerWaalsContact O-CB 3.27Å; A278-K367 WeakPolarHBondContact O-CB 3.47Å; A278-A368 HydrophobicContact CB-CB 4.28Å; A278-A368 PolarHBondContact N-O 2.92Å; A278-A368 PolarHBondContact O-N 3.29Å; A278-A368 VanDerWaalsContact O-N 3.17Å
279D97.7Very high97Very high21 Ų2111.7 Ų11.711%0.1126%0.056CC..SBendtrans-145.5169.3179.58022.7000112.4D277 H281 G282 I283 K367D277-D279 PolarHBondContact O-N 2.85Å; D279-H281 PolarHBondContact O-N 2.94Å; D279-H281 VanDerWaalsContact OD1-CA 3.3Å; D279-H281 WeakPolarHBondContact OD1-CA 3.44Å; D279-H281 WeakPolarHBondContact OD1-CB 3.29Å; D279-H281 PolarHBondContact OD1-N 2.98Å; D279-G282 PolarHBondContact O-N 2.73Å; D279-G282 PolarHBondContact OD1-N 2.98Å; D279-I283 WeakPolarHBondContact O-CG1 2.99Å; D279-I283 PolarHBondContact O-N 2.97Å; D279-K367 HydrophobicContact CB-CB 3.71Å; D279-K367 HydrophobicContact CB-CD 3.77Å; D279-K367 HydrophobicContact CB-CG 4.31Å
280P97.8Very high97.1Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-64.3-23.8-179.9-25.137.3000114.5E284 L331 D335 K338 L339 I342 M361P280-E284 WeakPolarHBondContact O-CB 3.4Å; P280-E284 PolarHBondContact O-N 2.75Å; P280-E284 VanDerWaalsContact O-N 3.15Å; P280-L331 HydrophobicContact CG-CD2 4.5Å; P280-D335 HydrophobicContact CG-CB 4.13Å; P280-D335 WeakPolarHBondContact CG-O 3.26Å; P280-K338 HydrophobicContact CB-CB 4.03Å; P280-K338 HydrophobicContact CB-CG 3.79Å; P280-L339 HydrophobicContact CB-CB 4.3Å; P280-L339 HydrophobicContact CG-CB 3.91Å; P280-L339 HydrophobicContact CG-CD1 4.45Å; P280-I342 HydrophobicContact CB-CD1 4.32Å; P280-I342 WeakPolarHBondContact O-CD1 3.3Å; P280-M361 HydrophobicContact CG-SD 4.02Å
281H97.3Very high97Very high95 Ų959.2 Ų9.244%0.445%0.045SC..Hα-helixtrans-79.1-40.4179.2-73.5-86000111.9D279 I283 E284 I285 D335D279-H281 PolarHBondContact O-N 2.94Å; D279-H281 VanDerWaalsContact OD1-CA 3.3Å; D279-H281 WeakPolarHBondContact OD1-CA 3.44Å; D279-H281 WeakPolarHBondContact OD1-CB 3.29Å; D279-H281 PolarHBondContact OD1-N 2.98Å; H281-I283 VanDerWaalsContact C-N 3.35Å; H281-E284 WeakPolarHBondContact O-CB 2.98Å; H281-E284 PolarHBondContact O-N 2.84Å; H281-I285 WeakPolarHBondContact O-CG1 3.38Å; H281-I285 PolarHBondContact O-N 3.24Å; H281-D335 IonicContact CD2-OD1 3.92Å
282G97.3Very high96.8Very high0 Ų09.3 Ų9.30%05%0.046CC..Hα-helixtrans-61.2-43.5172.200000111.6E224 V276 D279 E284 I285 M286E224-G282 WeakPolarHBondContact OE2-CA 3.33Å; V276-G282 WeakPolarHBondContact CG1-O 3.37Å; D279-G282 PolarHBondContact O-N 2.73Å; D279-G282 PolarHBondContact OD1-N 2.98Å; G282-E284 VanDerWaalsContact C-N 3.3Å; G282-E284 PolarHBondContact O-N 2.88Å; G282-I285 PolarHBondContact O-N 2.84Å; G282-M286 PolarHBondContact O-N 2.98Å
283I96.9Very high96.4Very high0 Ų010.3 Ų10.30%05%0.053CC..Hα-helixtrans-60.4-41.7173.6-63.2166.4000110.9D279 H281 I285 M286 C287 W310 I342 M358 M361D279-I283 WeakPolarHBondContact O-CG1 2.99Å; D279-I283 PolarHBondContact O-N 2.97Å; H281-I283 VanDerWaalsContact C-N 3.35Å; I283-I285 PolarHBondContact O-N 3.1Å; I283-M286 HydrophobicContact CG2-CE 4.31Å; I283-M286 PolarHBondContact O-N 2.85Å; I283-C287 PolarHBondContact O-N 2.94Å; I283-C287 PolarHBondContact O-SG 3.22Å; I283-W310 HydrophobicContact CD1-CH2 3.93Å; I283-W310 HydrophobicContact CG1-CH2 3.75Å; I283-W310 HydrophobicContact CG1-CZ2 4.07Å; I283-W310 HydrophobicContact CG1-CZ3 4.34Å; I283-I342 HydrophobicContact CB-CD1 4.49Å; I283-I342 HydrophobicContact CG2-CD1 4.36Å; I283-I342 HydrophobicContact CG2-CG2 4.02Å; I283-M358 HydrophobicContact CD1-CG 3.74Å; I283-M358 HydrophobicContact CD1-SD 4.38Å; I283-M358 HydrophobicContact CG2-SD 4.22Å; I283-M361 HydrophobicContact CD1-CE 3.72Å; I283-M361 HydrophobicContact CD1-SD 4.4Å
284E96.6Very high95.7Very high31 Ų3112.2 Ų12.215%0.1456%0.062CC..Hα-helixtrans-61.3-43.2176.1179.574.3145.100112.2P280 H281 G282 M286 C287 I288 K338 I342 R345P280-E284 WeakPolarHBondContact O-CB 3.4Å; P280-E284 PolarHBondContact O-N 2.75Å; P280-E284 VanDerWaalsContact O-N 3.15Å; H281-E284 WeakPolarHBondContact O-CB 2.98Å; H281-E284 PolarHBondContact O-N 2.84Å; G282-E284 VanDerWaalsContact C-N 3.3Å; G282-E284 PolarHBondContact O-N 2.88Å; E284-M286 VanDerWaalsContact C-N 3.34Å; E284-M286 PolarHBondContact O-N 3.08Å; E284-C287 WeakPolarHBondContact O-CB 3.34Å; E284-C287 PolarHBondContact O-N 3.17Å; E284-C287 VanDerWaalsContact O-N 3.14Å; E284-I288 HydrophobicContact CG-CD1 4.23Å; E284-I288 WeakPolarHBondContact O-CG1 3.43Å; E284-I288 PolarHBondContact O-N 2.88Å; E284-K338 VanDerWaalsContact CD-NZ 3.33Å; E284-K338 IonicContact OE1-NZ 2.89Å; E284-K338 PolarHBondContact OE1-NZ 2.78Å; E284-I342 HydrophobicContact CB-CD1 4.31Å; E284-R345 IonicContact OE1-CZ 3.14Å; E284-R345 IonicContact OE1-NH1 3.97Å; E284-R345 IonicContact OE1-NH2 3.84Å; E284-R345 PolarHBondContact OE1-NH2 3.41Å; E284-R345 IonicContact OE2-CZ 3.82Å; E284-R345 IonicContact OE2-NH1 2.69Å; E284-R345 PolarHBondContact OE2-NH1 3.01Å; E284-R345 IonicContact OE2-NH2 3.23Å; E284-R345 PolarHBondContact OE2-NH2 2.94Å
285I97Very high94.8Very high6 Ų614.7 Ų14.73%0.0318%0.079CC..Hα-helixtrans-61.6-45.1179.3-73.8166.4000110.7E224 V252 H281 G282 I283 C287 I288 Y289E224-I285 HydrophobicContact CG-CD1 3.69Å; E224-I285 HydrophobicContact CG-CG2 4.39Å; E224-I285 WeakPolarHBondContact OE1-CD1 3.03Å; V252-I285 HydrophobicContact CG2-CD1 4.21Å; V252-I285 HydrophobicContact CG2-CG1 3.93Å; H281-I285 WeakPolarHBondContact O-CG1 3.38Å; H281-I285 PolarHBondContact O-N 3.24Å; G282-I285 PolarHBondContact O-N 2.84Å; I283-I285 PolarHBondContact O-N 3.1Å; I285-C287 VanDerWaalsContact C-N 3.33Å; I285-C287 PolarHBondContact O-N 3.23Å; I285-I288 PolarHBondContact O-N 3.47Å; I285-Y289 HydrophobicContact CG2-CD2 4.38Å; I285-Y289 HydrophobicContact CG2-CE2 4.25Å; I285-Y289 WeakPolarHBondContact O-CD2 3.46Å; I285-Y289 PolarHBondContact O-N 3.22Å
286M96.4Very high94.1Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-60.1-43.4173.2175.8-177.658.300111.7T274 V276 G282 I283 E284 I288 Y289 K290 I308 W310 W354T274-M286 HydrophobicContact CG2-CG 4.21Å; T274-M286 WeakPolarHBondContact OG1-CG 3.13Å; T274-M286 PolarHBondContact OG1-SD 3.46Å; T274-M286 VanDerWaalsContact OG1-SD 3.34Å; V276-M286 HydrophobicContact CG1-CB 4.32Å; G282-M286 PolarHBondContact O-N 2.98Å; I283-M286 HydrophobicContact CG2-CE 4.31Å; I283-M286 PolarHBondContact O-N 2.85Å; E284-M286 VanDerWaalsContact C-N 3.34Å; E284-M286 PolarHBondContact O-N 3.08Å; M286-I288 VanDerWaalsContact C-N 3.27Å; M286-I288 PolarHBondContact O-N 3.09Å; M286-Y289 PolarHBondContact O-N 2.99Å; M286-K290 WeakPolarHBondContact O-CB 3.33Å; M286-K290 PolarHBondContact O-N 2.86Å; M286-I308 HydrophobicContact CG-CG2 4.43Å; M286-W310 HydrophobicContact CE-CB 4.2Å; M286-W310 HydrophobicContact CE-CD2 3.75Å; M286-W310 HydrophobicContact CE-CE3 3.76Å; M286-W310 HydrophobicContact CE-CG 3.95Å; M286-W310 HydrophobicContact CE-CZ3 4.44Å; M286-W310 HydrophobicContact SD-CB 3.42Å; M286-W310 WeakPolarHBondContact SD-CB 3.38Å; M286-W310 HydrophobicContact SD-CD2 4Å; M286-W310 HydrophobicContact SD-CE3 4.49Å; M286-W310 HydrophobicContact SD-CG 3.51Å; M286-W310 VanDerWaalsContact SD-CG 3.51Å; M286-W354 HydrophobicContact CE-CD2 3.98Å; M286-W354 HydrophobicContact CE-CE3 3.65Å; M286-W354 HydrophobicContact CE-CH2 3.22Å; M286-W354 HydrophobicContact CE-CZ2 3.58Å; M286-W354 HydrophobicContact CE-CZ3 3.27Å; M286-W354 HydrophobicContact CG-CH2 3.67Å; M286-W354 HydrophobicContact CG-CZ2 4.23Å; M286-W354 HydrophobicContact CG-CZ3 4.39Å; M286-W354 HydrophobicContact SD-CH2 3.36Å; M286-W354 WeakPolarHBondContact SD-CH2 3.29Å; M286-W354 HydrophobicContact SD-CZ2 3.42Å; M286-W354 WeakPolarHBondContact SD-CZ2 3.32Å; M286-W354 HydrophobicContact SD-CZ3 4.09Å
287C95.4Very high93.4Very high1 Ų115.7 Ų15.71%0.0079%0.085CC..Hα-helixtrans-59-38.4175.9-69.80000112.1I283 E284 I285 Y289 K290 Y291 G292 Y347I283-C287 PolarHBondContact O-N 2.94Å; I283-C287 PolarHBondContact O-SG 3.22Å; E284-C287 WeakPolarHBondContact O-CB 3.34Å; E284-C287 PolarHBondContact O-N 3.17Å; E284-C287 VanDerWaalsContact O-N 3.14Å; I285-C287 VanDerWaalsContact C-N 3.33Å; I285-C287 PolarHBondContact O-N 3.23Å; C287-Y289 PolarHBondContact O-N 3.03Å; C287-K290 PolarHBondContact O-N 2.78Å; C287-Y291 WeakPolarHBondContact O-CA 3.34Å; C287-Y291 PolarHBondContact O-N 2.87Å; C287-G292 PolarHBondContact O-N 3.28Å; C287-G292 VanDerWaalsContact O-N 3.15Å; C287-Y347 HydrophobicContact CB-CE2 4.39Å; C287-Y347 WeakPolarHBondContact CB-OH 3.22Å; C287-Y347 PolarHBondContact SG-OH 3.5Å; C287-Y347 VanDerWaalsContact SG-OH 3.35Å
288I95.8Very high92.7Very high19 Ų1916.8 Ų16.810%0.0979%0.089CC..Hα-helixtrans-64.1-39.9178.9-69.3166.9000111.5V252 P253 R258 E284 I285 M286 G292V252-I288 HydrophobicContact CG1-CD1 3.91Å; P253-I288 HydrophobicContact CG-CB 4.49Å; P253-I288 HydrophobicContact CG-CG2 3.78Å; R258-I288 PolarHBondContact NH2-O 2.94Å; E284-I288 HydrophobicContact CG-CD1 4.23Å; E284-I288 WeakPolarHBondContact O-CG1 3.43Å; E284-I288 PolarHBondContact O-N 2.88Å; I285-I288 PolarHBondContact O-N 3.47Å; M286-I288 VanDerWaalsContact C-N 3.27Å; M286-I288 PolarHBondContact O-N 3.09Å; I288-G292 WeakPolarHBondContact O-CA 3.41Å; I288-G292 PolarHBondContact O-N 3.34Å; I288-G292 VanDerWaalsContact O-N 3.13Å
289Y96.8Very high92Very high4 Ų417.3 Ų17.32%0.0169%0.091CC..Hα-helixtrans-70.1-44174.7-79.7-76000112.5I222 P253 T257 R258 V261 I285 M286 C287 T304 V305 I308I222-Y289 HydrophobicContact CD1-CD1 3.93Å; I222-Y289 HydrophobicContact CD1-CD2 4.34Å; I222-Y289 HydrophobicContact CD1-CE1 4.05Å; I222-Y289 HydrophobicContact CD1-CE2 4.44Å; I222-Y289 HydrophobicContact CD1-CG 4.07Å; I222-Y289 HydrophobicContact CG2-CD2 4.15Å; I222-Y289 HydrophobicContact CG2-CE2 3.53Å; P253-Y289 HydrophobicContact CB-CD2 4.44Å; P253-Y289 HydrophobicContact CB-CE1 3.83Å; P253-Y289 HydrophobicContact CB-CE2 3.66Å; P253-Y289 WeakPolarHBondContact CB-OH 3.29Å; P253-Y289 HydrophobicContact CG-CD1 4.43Å; P253-Y289 HydrophobicContact CG-CD2 3.91Å; P253-Y289 HydrophobicContact CG-CE1 4.12Å; P253-Y289 HydrophobicContact CG-CE2 3.57Å; P253-Y289 HydrophobicContact CG-CG 4.34Å; T257-Y289 HydrophobicContact CG2-CE1 4.29Å; T257-Y289 VanDerWaalsContact CG2-OH 3.23Å; T257-Y289 WeakPolarHBondContact CG2-OH 3.48Å; R258-Y289 HydrophobicContact CG-CD1 4.1Å; R258-Y289 HydrophobicContact CG-CE1 4.1Å; V261-Y289 HydrophobicContact CB-CE1 4.49Å; V261-Y289 HydrophobicContact CG1-CD1 4.48Å; V261-Y289 HydrophobicContact CG2-CD1 4.39Å; V261-Y289 HydrophobicContact CG2-CE1 3.94Å; I285-Y289 HydrophobicContact CG2-CD2 4.38Å; I285-Y289 HydrophobicContact CG2-CE2 4.25Å; I285-Y289 WeakPolarHBondContact O-CD2 3.46Å; I285-Y289 PolarHBondContact O-N 3.22Å; M286-Y289 PolarHBondContact O-N 2.99Å; C287-Y289 PolarHBondContact O-N 3.03Å; Y289-T304 WeakPolarHBondContact O-CA 3.35Å; Y289-V305 PolarHBondContact O-N 3.31Å; Y289-I308 VanDerWaalsContact CB-CD1 3.47Å; Y289-I308 HydrophobicContact CG-CD1 4.42Å
290K95.8Very high91.4Very high2 Ų216.3 Ų16.31%0.0099%0.086CC..Hα-helixtrans-78.1-44.2-172.8-170.2-179.5171.786.20113.2M286 C287 V305 P306 I308 W354M286-K290 WeakPolarHBondContact O-CB 3.33Å; M286-K290 PolarHBondContact O-N 2.86Å; C287-K290 PolarHBondContact O-N 2.78Å; K290-V305 WeakPolarHBondContact CA-O 3.36Å; K290-V305 CarbonylContact O-C 3.48Å; K290-P306 WeakPolarHBondContact CE-O 3.25Å; K290-P306 PolarHBondContact NZ-O 2.97Å; K290-I308 HydrophobicContact CB-CB 4.16Å; K290-I308 HydrophobicContact CB-CG2 4.45Å; K290-I308 HydrophobicContact CG-CB 4.18Å; K290-I308 PolarHBondContact NZ-O 3.38Å; K290-W354 HydrophobicContact CD-CH2 3.39Å; K290-W354 HydrophobicContact CD-CZ2 3.74Å; K290-W354 HydrophobicContact CD-CZ3 4.33Å
291Y94.1Very high90.9Very high3 Ų317.8 Ų17.81%0.0129%0.093CC..Hα-helixtrans-121.8-7.4-170.7-55.8-51.5000114F83 L89 C287 Y347 Q351 W354F83-Y291 AromaticContact CE2-CD1 3.5Å; F83-Y291 HydrophobicContact CE2-CD1 3.5Å; F83-Y291 AromaticContact CE2-CE1 3.77Å; F83-Y291 HydrophobicContact CE2-CE1 3.77Å; F83-Y291 HydrophobicContact CE2-CG 4.02Å; F83-Y291 AromaticContact CZ-CD1 4Å; F83-Y291 HydrophobicContact CZ-CD1 4Å; F83-Y291 AromaticContact CZ-CE1 3.76Å; F83-Y291 HydrophobicContact CZ-CE1 3.76Å; L89-Y291 WeakPolarHBondContact CB-O 3.44Å; L89-Y291 PolarHBondContact N-O 2.85Å; C287-Y291 WeakPolarHBondContact O-CA 3.34Å; C287-Y291 PolarHBondContact O-N 2.87Å; Y291-Y347 AromaticContact CD2-CD1 4Å; Y291-Y347 HydrophobicContact CD2-CD1 4Å; Y291-Y347 AromaticContact CD2-CD2 3.4Å; Y291-Y347 HydrophobicContact CD2-CD2 3.4Å; Y291-Y347 VanDerWaalsContact CD2-CD2 3.4Å; Y291-Y347 HydrophobicContact CD2-CE1 4.14Å; Y291-Y347 AromaticContact CD2-CE2 3.57Å; Y291-Y347 HydrophobicContact CD2-CE2 3.57Å; Y291-Y347 AromaticContact CD2-CG 3.6Å; Y291-Y347 HydrophobicContact CD2-CG 3.6Å; Y291-Y347 AromaticContact CD2-CZ 3.91Å; Y291-Y347 AromaticContact CE2-CD2 3.31Å; Y291-Y347 HydrophobicContact CE2-CD2 3.31Å; Y291-Y347 AromaticContact CE2-CE2 3.82Å; Y291-Y347 HydrophobicContact CE2-CE2 3.82Å; Y291-Y347 AromaticContact CE2-CG 3.71Å; Y291-Y347 HydrophobicContact CE2-CG 3.71Å; Y291-Y347 HydrophobicContact CG-CD1 4.25Å; Y291-Y347 HydrophobicContact CG-CD2 4.37Å; Y291-Y347 HydrophobicContact CG-CG 4.15Å; Y291-Q351 VanDerWaalsContact OH-CG 3.25Å; Y291-Q351 WeakPolarHBondContact OH-CG 3.23Å; Y291-Q351 PolarHBondContact OH-NE2 3.32Å; Y291-W354 HydrophobicContact CE2-CH2 4.35Å; Y291-W354 HydrophobicContact CE2-CZ3 4.04Å
292G92.4Very high90.4Very high2 Ų216.7 Ų16.72%0.0219%0.088CC..  trans84-174.7178.900000113.7C287 I288C287-G292 PolarHBondContact O-N 3.28Å; C287-G292 VanDerWaalsContact O-N 3.15Å; I288-G292 WeakPolarHBondContact O-CA 3.41Å; I288-G292 PolarHBondContact O-N 3.34Å; I288-G292 VanDerWaalsContact O-N 3.13Å
293S88.8Confident90.1Very high22 Ų2216.9 Ų16.915%0.1549%0.088CC..  trans-118.4147.1178.468.30000109.8S295 M296 S297S293-S295 PolarHBondContact O-N 3.17Å; S293-S295 PolarHBondContact OG-OG 3.15Å; S293-M296 CarbonylContact O-C 3.58Å; S293-M296 PolarHBondContact O-N 3.41Å; S293-M296 WeakPolarHBondContact OG-CB 3.3Å; S293-M296 PolarHBondContact OG-N 3.18Å; S293-S297 PolarHBondContact O-N 3.39Å
294M84.7Confident90Very high39 Ų3916.9 Ų16.919%0.1929%0.089CC..G310 helixtrans-51.9-42.9174.6-177.1-179-152.500112.4R75 S76 S77 W78 I81 M296 S297R75-M294 WeakPolarHBondContact O-CG 3.31Å; S76-M294 VanDerWaalsContact O-CE 3.23Å; S76-M294 WeakPolarHBondContact O-CE 3.23Å; S77-M294 VanDerWaalsContact CA-CE 3.49Å; S77-M294 VanDerWaalsContact N-CE 3.28Å; S77-M294 WeakPolarHBondContact O-CE 3.36Å; W78-M294 HydrophobicContact CG-CE 4.15Å; I81-M294 HydrophobicContact CD1-CG 4.41Å; I81-M294 HydrophobicContact CG1-CE 4.04Å; I81-M294 HydrophobicContact CG1-CG 4.13Å; M294-M296 PolarHBondContact O-N 3.49Å; M294-S297 WeakPolarHBondContact O-CB 3.34Å; M294-S297 PolarHBondContact O-N 2.82Å; M294-S297 PolarHBondContact O-OG 3.41Å
295S79.9Confident90Very high53 Ų5315.5 Ų15.537%0.3718%0.082SC..G310 helixtrans-63-21.8179.656.60000114.4R75 S293R75-S295 PolarHBondContact NH1-O 2.8Å; S293-S295 PolarHBondContact O-N 3.17Å; S293-S295 PolarHBondContact OG-OG 3.15Å
296M82.3Confident89.8Confident21 Ų2116.4 Ų16.410%0.1039%0.088CC..G310 helixtrans-124.922.1-175.9-58.7-177.46000111.9R165 L255 S293 M294 F298 E299 A300 L303R165-M296 VanDerWaalsContact NH2-CG 3.3Å; R165-M296 PolarHBondContact NH2-SD 2.97Å; L255-M296 HydrophobicContact CD1-CE 3.34Å; S293-M296 CarbonylContact O-C 3.58Å; S293-M296 PolarHBondContact O-N 3.41Å; S293-M296 WeakPolarHBondContact OG-CB 3.3Å; S293-M296 PolarHBondContact OG-N 3.18Å; M294-M296 PolarHBondContact O-N 3.49Å; M296-F298 PolarHBondContact O-N 2.85Å; M296-E299 PolarHBondContact O-N 3.43Å; M296-A300 PolarHBondContact O-N 2.94Å; M296-L303 HydrophobicContact CB-CD1 4.49Å; M296-L303 HydrophobicContact CE-CD1 3.43Å; M296-L303 VanDerWaalsContact CE-CD1 3.43Å
297S83.5Confident89.6Confident3 Ų316.8 Ų16.82%0.0219%0.092CC..G310 helixtrans-60.4-28.1-179.747.40000112.9I81 L89 M91 S293 M294 E299 A300I81-S297 WeakPolarHBondContact CD1-OG 3.42Å; L89-S297 WeakPolarHBondContact O-CA 3.49Å; M91-S297 WeakPolarHBondContact CG-OG 3.22Å; S293-S297 PolarHBondContact O-N 3.39Å; M294-S297 WeakPolarHBondContact O-CB 3.34Å; M294-S297 PolarHBondContact O-N 2.82Å; M294-S297 PolarHBondContact O-OG 3.41Å; S297-E299 VanDerWaalsContact C-N 3.33Å; S297-E299 PolarHBondContact O-N 2.78Å; S297-A300 WeakPolarHBondContact O-CB 3.42Å; S297-A300 PolarHBondContact O-N 3.48Å
298F82.3Confident89.7Confident29 Ų2916.8 Ų16.813%0.1279%0.092CC..G310 helixtrans-63.2-35.7172.7177.8-112.4000113.1S158 C159 K162 M296S158-F298 WeakPolarHBondContact O-CE1 3.33Å; C159-F298 HydrophobicContact CB-CD1 4.5Å; C159-F298 HydrophobicContact CB-CG 4.35Å; K162-F298 VanDerWaalsContact CA-CZ 3.44Å; K162-F298 HydrophobicContact CB-CZ 4.14Å; K162-F298 HydrophobicContact CD-CE2 3.77Å; K162-F298 HydrophobicContact CD-CZ 4.15Å; M296-F298 PolarHBondContact O-N 2.85Å
299E82.9Confident89.8Confident12 Ų1218.5 Ų18.56%0.05610%0.097CC..G310 helixtrans-98.710.6-179.1-63.3-176.7-79.400112.2R165 M296 S297 H301 H302 L303R165-E299 IonicContact CZ-OE1 3.94Å; R165-E299 PolarHBondContact N-OE2 2.96Å; R165-E299 IonicContact NE-OE1 3.42Å; R165-E299 PolarHBondContact NE-OE1 3.42Å; M296-E299 PolarHBondContact O-N 3.43Å; S297-E299 VanDerWaalsContact C-N 3.33Å; S297-E299 PolarHBondContact O-N 2.78Å; E299-H301 VanDerWaalsContact C-N 3.29Å; E299-H301 PolarHBondContact O-N 2.79Å; E299-H302 PolarHBondContact O-N 3.05Å; E299-L303 HydrophobicContact CB-CD1 3.68Å; E299-L303 HydrophobicContact CB-CG 4.37Å; E299-L303 WeakPolarHBondContact O-CG 3.43Å
300A86.4Confident89.8Confident0 Ų018.3 Ų18.30%010%0.096CC..G310 helixtrans-56.5-39-170.500000113.4V87 L89 M296 S297 H302 L303 T304V87-A300 HydrophobicContact CG1-CB 4.13Å; L89-A300 WeakPolarHBondContact O-CB 3.42Å; M296-A300 PolarHBondContact O-N 2.94Å; S297-A300 WeakPolarHBondContact O-CB 3.42Å; S297-A300 PolarHBondContact O-N 3.48Å; A300-H302 PolarHBondContact O-N 3.48Å; A300-H302 VanDerWaalsContact O-N 3.11Å; A300-L303 PolarHBondContact O-N 2.99Å; A300-T304 HydrophobicContact CB-CG2 4.2Å; A300-T304 WeakPolarHBondContact O-CB 3.49Å; A300-T304 WeakPolarHBondContact O-CG2 3.47Å; A300-T304 PolarHBondContact O-N 3.16Å; A300-T304 PolarHBondContact O-OG1 3.29Å
301H86Confident89.9Confident32 Ų3218.2 Ų18.215%0.14810%0.096CC..G310 helixtrans-55-30.7178.1-64.2-78.1000113.7V87 Q90 K262 E299V87-H301 WeakPolarHBondContact CG2-ND1 3.35Å; Q90-H301 VanDerWaalsContact CD-CE1 3.48Å; Q90-H301 PolarHBondContact OE1-CE1 3.11Å; Q90-H301 PolarHBondContact OE1-NE2 3.03Å; Q90-H301 VanDerWaalsContact OE1-NE2 3.16Å; K262-H301 WeakPolarHBondContact CE-O 3.38Å; E299-H301 VanDerWaalsContact C-N 3.29Å; E299-H301 PolarHBondContact O-N 2.79Å
302H87.2Confident90Very high72 Ų7218.1 Ų18.133%0.33310%0.095SC..G310 helixtrans-95.3-2.5-178.2-56.8125000113.3S39 L259 K262 E299 A300S39-H302 PolarHBondContact O-CE1 3.06Å; S39-H302 PolarHBondContact OG-CE1 2.95Å; S39-H302 PolarHBondContact OG-ND1 3.19Å; S39-H302 VanDerWaalsContact OG-ND1 3.1Å; L259-H302 HydrophobicContact CD2-CB 4.34Å; L259-H302 WeakPolarHBondContact CD2-O 3.18Å; K262-H302 WeakPolarHBondContact CG-O 3.25Å; E299-H302 PolarHBondContact O-N 3.05Å; A300-H302 PolarHBondContact O-N 3.48Å; A300-H302 VanDerWaalsContact O-N 3.11Å
303L91.8Very high90.2Very high3 Ų318 Ų182%0.0169%0.094CC..THydrogen-bonded Turntrans-133.80.1-164.7-61.2176.5000115.2L255 R258 L259 M296 E299 A300L255-L303 HydrophobicContact CD1-CD1 3.71Å; L255-L303 HydrophobicContact CD1-CD2 3.49Å; L255-L303 VanDerWaalsContact CD1-CD2 3.49Å; L255-L303 HydrophobicContact CD1-CG 4.23Å; L255-L303 HydrophobicContact CG-CD2 4.4Å; R258-L303 HydrophobicContact CB-CD2 4.13Å; R258-L303 PolarHBondContact NE-O 2.81Å; R258-L303 PolarHBondContact NH2-O 2.88Å; L259-L303 HydrophobicContact CD2-CD2 3.6Å; L259-L303 HydrophobicContact CG-CD2 3.61Å; M296-L303 HydrophobicContact CB-CD1 4.49Å; M296-L303 HydrophobicContact CE-CD1 3.43Å; M296-L303 VanDerWaalsContact CE-CD1 3.43Å; E299-L303 HydrophobicContact CB-CD1 3.68Å; E299-L303 HydrophobicContact CB-CG 4.37Å; E299-L303 WeakPolarHBondContact O-CG 3.43Å; A300-L303 PolarHBondContact O-N 2.99Å
304T94.8Very high90.6Very high1 Ų117.3 Ų17.31%0.0069%0.089CC..  trans-119.9138.9-171.552.80000111V87 K262 Y289 A300V87-T304 WeakPolarHBondContact O-CB 3.48Å; V87-T304 WeakPolarHBondContact O-CG2 3.46Å; V87-T304 PolarHBondContact O-OG1 2.99Å; K262-T304 VanDerWaalsContact CD-O 3.31Å; K262-T304 WeakPolarHBondContact CD-O 3.28Å; Y289-T304 WeakPolarHBondContact O-CA 3.35Å; A300-T304 HydrophobicContact CB-CG2 4.2Å; A300-T304 WeakPolarHBondContact O-CB 3.49Å; A300-T304 WeakPolarHBondContact O-CG2 3.47Å; A300-T304 PolarHBondContact O-N 3.16Å; A300-T304 PolarHBondContact O-OG1 3.29Å
305V95.9Very high91.2Very high2 Ų215.8 Ų15.81%0.0128%0.082CC..  trans-125.688.4174.4-177.80000109V261 K262 W265 V272 Y289 K290 A307 I308V261-V305 HydrophobicContact CG1-CG2 3.99Å; K262-V305 HydrophobicContact CB-CG2 4.19Å; K262-V305 HydrophobicContact CD-CG2 4.01Å; W265-V305 HydrophobicContact CB-CG1 3.84Å; W265-V305 HydrophobicContact CB-CG2 3.9Å; W265-V305 HydrophobicContact CD2-CG1 3.78Å; W265-V305 HydrophobicContact CE3-CG1 4.33Å; W265-V305 HydrophobicContact CG-CB 4.47Å; W265-V305 HydrophobicContact CG-CG1 3.51Å; W265-V305 HydrophobicContact CG-CG2 4.17Å; V272-V305 HydrophobicContact CG2-CG1 4.33Å; Y289-V305 PolarHBondContact O-N 3.31Å; K290-V305 WeakPolarHBondContact CA-O 3.36Å; K290-V305 CarbonylContact O-C 3.48Å; V305-A307 HydrophobicContact CG1-CB 4.13Å; V305-A307 PolarHBondContact O-N 2.77Å; V305-I308 HydrophobicContact CB-CD1 3.86Å; V305-I308 HydrophobicContact CB-CG1 3.98Å; V305-I308 HydrophobicContact CG1-CD1 4.39Å; V305-I308 HydrophobicContact CG1-CG1 3.97Å; V305-I308 WeakPolarHBondContact O-CB 3.33Å; V305-I308 WeakPolarHBondContact O-CG1 3.18Å; V305-I308 PolarHBondContact O-N 3.05Å
306P92.2Very high92Very high24 Ų2415 Ų1516%0.1568%0.076CC..THydrogen-bonded Turntrans-61.2-17.3-179.9-26.636.4000114.1D85 S86 K290 I308D85-P306 WeakPolarHBondContact O-CB 3.35Å; D85-P306 WeakPolarHBondContact O-CG 3.4Å; S86-P306 WeakPolarHBondContact O-CG 3.21Å; K290-P306 WeakPolarHBondContact CE-O 3.25Å; K290-P306 PolarHBondContact NZ-O 2.97Å; P306-I308 PolarHBondContact O-N 3.27Å
307A93.4Very high92.7Very high9 Ų914.2 Ų14.27%0.0747%0.073CC..THydrogen-bonded Turntrans-70.7-12.6175.200000114.4L23 W265 V305 R309L23-A307 HydrophobicContact CD1-CB 4.29Å; L23-A307 HydrophobicContact CD2-CB 3.99Å; W265-A307 HydrophobicContact CD2-CB 4.14Å; W265-A307 HydrophobicContact CE3-CB 4.04Å; W265-A307 HydrophobicContact CH2-CB 3.38Å; W265-A307 HydrophobicContact CZ2-CB 3.44Å; W265-A307 VanDerWaalsContact CZ2-CB 3.44Å; W265-A307 HydrophobicContact CZ3-CB 3.68Å; V305-A307 HydrophobicContact CG1-CB 4.13Å; V305-A307 PolarHBondContact O-N 2.77Å; A307-R309 PolarHBondContact O-NH1 3.27Å
308I96.9Very high93.2Very high0 Ų014.9 Ų14.90%08%0.076CC..  trans-54.9140.4-178.7-76.1170.3000112.2I222 V272 T274 M286 Y289 K290 V305 P306I222-I308 HydrophobicContact CD1-CD1 4.09Å; V272-I308 HydrophobicContact CB-CG1 3.78Å; V272-I308 HydrophobicContact CG1-CD1 4.2Å; V272-I308 HydrophobicContact CG1-CG1 3.68Å; V272-I308 CarbonylContact O-C 3.45Å; V272-I308 WeakPolarHBondContact O-CA 3.36Å; T274-I308 HydrophobicContact CG2-CG2 3.54Å; M286-I308 HydrophobicContact CG-CG2 4.43Å; Y289-I308 VanDerWaalsContact CB-CD1 3.47Å; Y289-I308 HydrophobicContact CG-CD1 4.42Å; K290-I308 HydrophobicContact CB-CB 4.16Å; K290-I308 HydrophobicContact CB-CG2 4.45Å; K290-I308 HydrophobicContact CG-CB 4.18Å; K290-I308 PolarHBondContact NZ-O 3.38Å; V305-I308 HydrophobicContact CB-CD1 3.86Å; V305-I308 HydrophobicContact CB-CG1 3.98Å; V305-I308 HydrophobicContact CG1-CD1 4.39Å; V305-I308 HydrophobicContact CG1-CG1 3.97Å; V305-I308 WeakPolarHBondContact O-CB 3.33Å; V305-I308 WeakPolarHBondContact O-CG1 3.18Å; V305-I308 PolarHBondContact O-N 3.05Å; P306-I308 PolarHBondContact O-N 3.27Å
309R97.4Very high93.7Very high56 Ų5621.9 Ų21.921%0.21111%0.106CC..EExtended strand (participates in β ladder)trans-119.5141.5176-66.6-64.2-176.3-88.65.5111.7V272 F273 T274 A307 L311 W395 I396V272-R309 PolarHBondContact O-N 2.79Å; F273-R309 CarbonylContact C-O 3.57Å; F273-R309 WeakPolarHBondContact CA-O 3.14Å; F273-R309 HydrophobicContact CD1-CB 3.71Å; F273-R309 HydrophobicContact CE1-CB 3.85Å; F273-R309 HydrophobicContact CE1-CG 4.31Å; T274-R309 PolarHBondContact N-O 2.92Å; T274-R309 PolarHBondContact OG1-O 3.12Å; A307-R309 PolarHBondContact O-NH1 3.27Å; R309-L311 PolarHBondContact O-N 2.96Å; R309-W395 HydrophobicContact CB-CB 4.19Å; R309-W395 HydrophobicContact CB-CG 4.04Å; R309-W395 HydrophobicContact CG-CG 4.47Å; R309-I396 CarbonylContact C-O 3.37Å; R309-I396 WeakPolarHBondContact CA-O 3.09Å; R309-I396 WeakPolarHBondContact CD-OXT 3.43Å
310W97.9Very high94.3Very high0 Ų028.2 Ų28.20%013%0.13CC..EExtended strand (participates in β ladder)trans-81109.3175.9-167.32.8000109.6V276 I283 M286 G312 L314 P315 W354 E357 W395 I396V276-W310 HydrophobicContact CG2-CZ2 4.46Å; V276-W310 VanDerWaalsContact CG2-NE1 3.34Å; I283-W310 HydrophobicContact CD1-CH2 3.93Å; I283-W310 HydrophobicContact CG1-CH2 3.75Å; I283-W310 HydrophobicContact CG1-CZ2 4.07Å; I283-W310 HydrophobicContact CG1-CZ3 4.34Å; M286-W310 HydrophobicContact CE-CB 4.2Å; M286-W310 HydrophobicContact CE-CD2 3.75Å; M286-W310 HydrophobicContact CE-CE3 3.76Å; M286-W310 HydrophobicContact CE-CG 3.95Å; M286-W310 HydrophobicContact CE-CZ3 4.44Å; M286-W310 HydrophobicContact SD-CB 3.42Å; M286-W310 WeakPolarHBondContact SD-CB 3.38Å; M286-W310 HydrophobicContact SD-CD2 4Å; M286-W310 HydrophobicContact SD-CE3 4.49Å; M286-W310 HydrophobicContact SD-CG 3.51Å; M286-W310 VanDerWaalsContact SD-CG 3.51Å; W310-G312 PolarHBondContact NE1-O 3.12Å; W310-G312 VanDerWaalsContact NE1-O 3.13Å; W310-L314 HydrophobicContact CB-CD2 4.4Å; W310-L314 HydrophobicContact CD2-CD2 3.44Å; W310-L314 VanDerWaalsContact CD2-CD2 3.44Å; W310-L314 HydrophobicContact CE3-CD2 3.91Å; W310-L314 HydrophobicContact CG-CD2 3.68Å; W310-L314 HydrophobicContact CH2-CD2 4.42Å; W310-L314 HydrophobicContact CZ2-CD2 4.03Å; W310-L314 HydrophobicContact CZ3-CD2 4.37Å; W310-P315 HydrophobicContact CH2-CG 4.3Å; W310-W354 HydrophobicContact CB-CZ2 4.38Å; W310-W354 HydrophobicContact CE3-CG 4.38Å; W310-E357 HydrophobicContact CH2-CB 4.09Å; W310-E357 HydrophobicContact CZ3-CB 3.74Å; W310-E357 HydrophobicContact CZ3-CG 4.21Å; W310-W395 CarbonylContact O-C 3.5Å; W310-W395 VanDerWaalsContact O-CA 3.22Å; W310-W395 WeakPolarHBondContact O-CA 3.32Å; W310-W395 WeakPolarHBondContact O-CB 3.33Å; W310-I396 HydrophobicContact CB-CG1 3.87Å; W310-I396 HydrophobicContact CE3-CD1 3.87Å; W310-I396 HydrophobicContact CE3-CG1 4.29Å; W310-I396 HydrophobicContact CZ3-CD1 4.45Å; W310-I396 PolarHBondContact N-O 3.31Å; W310-I396 PolarHBondContact O-N 3.07Å
311L98Very high94.7Very high0 Ų029.2 Ų29.20%014%0.135CC..EExtended strand (participates in β ladder)trans-83.6-41.2-179.3-17065.6000111.6L221 F273 T274 R309 L386 K389 L390 W395L221-L311 HydrophobicContact CD1-CD2 3.71Å; F273-L311 HydrophobicContact CB-CB 4.15Å; F273-L311 HydrophobicContact CB-CD2 4.27Å; F273-L311 HydrophobicContact CD1-CD1 4.3Å; T274-L311 WeakPolarHBondContact O-CB 3.47Å; T274-L311 PolarHBondContact O-N 3.26Å; R309-L311 PolarHBondContact O-N 2.96Å; L311-L386 HydrophobicContact CD2-CD2 3.61Å; L311-L386 HydrophobicContact CG-CD2 4.41Å; L311-K389 HydrophobicContact CD1-CB 3.72Å; L311-K389 HydrophobicContact CG-CB 4.24Å; L311-K389 WeakPolarHBondContact O-CD 3.49Å; L311-K389 WeakPolarHBondContact O-CE 3.49Å; L311-K389 PolarHBondContact O-NZ 3.48Å; L311-L390 HydrophobicContact CD1-CD2 3.97Å; L311-L390 HydrophobicContact CD1-CG 4.28Å; L311-L390 HydrophobicContact CD2-CD2 4.14Å; L311-L390 HydrophobicContact CD2-CG 4.27Å; L311-W395 HydrophobicContact CD1-CB 4.01Å; L311-W395 HydrophobicContact CD1-CE3 4.13Å
312G95.2Very high95Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans172.9-177.3-176.800000111.4L275 V276 W310 Y385L275-G312 CarbonylContact C-O 3.57Å; L275-G312 VanDerWaalsContact CA-O 3.28Å; L275-G312 WeakPolarHBondContact CA-O 3.35Å; V276-G312 PolarHBondContact N-O 3.47Å; V276-G312 CarbonylContact O-C 3.44Å; W310-G312 PolarHBondContact NE1-O 3.12Å; W310-G312 VanDerWaalsContact NE1-O 3.13Å; G312-Y385 VanDerWaalsContact CA-OH 3.23Å; G312-Y385 WeakPolarHBondContact CA-OH 3.28Å
313L96.9Very high95.4Very high0 Ų031.6 Ų31.60%015%0.152CC..  cis-71.5122-15.8179.758.1000108.8V276 A278 D317 L318 A368 I370 L373 Y385V276-L313 PolarHBondContact O-N 2.99Å; A278-L313 HydrophobicContact CB-CB 4.18Å; A278-L313 HydrophobicContact CB-CD2 4.15Å; A278-L313 HydrophobicContact CB-CG 3.99Å; A278-L313 WeakPolarHBondContact CB-O 3.42Å; L313-D317 HydrophobicContact CD1-CB 3.89Å; L313-L318 HydrophobicContact CD1-CD2 4.25Å; L313-L318 HydrophobicContact CD2-CD2 3.66Å; L313-L318 HydrophobicContact CG-CD2 3.99Å; L313-A368 HydrophobicContact CD2-CB 4.17Å; L313-I370 HydrophobicContact CB-CG1 4.37Å; L313-L373 HydrophobicContact CD1-CD1 4.24Å; L313-L373 HydrophobicContact CD1-CD2 4.09Å; L313-L373 HydrophobicContact CD1-CG 4.37Å; L313-Y385 HydrophobicContact CD1-CE2 4.24Å
314L97.4Very high95.4Very high8 Ų833 Ų334%0.04216%0.161CC..  trans-82140.9179.5-54.9-179000109.8W310 S316 D317 K389 I396W310-L314 HydrophobicContact CB-CD2 4.4Å; W310-L314 HydrophobicContact CD2-CD2 3.44Å; W310-L314 VanDerWaalsContact CD2-CD2 3.44Å; W310-L314 HydrophobicContact CE3-CD2 3.91Å; W310-L314 HydrophobicContact CG-CD2 3.68Å; W310-L314 HydrophobicContact CH2-CD2 4.42Å; W310-L314 HydrophobicContact CZ2-CD2 4.03Å; W310-L314 HydrophobicContact CZ3-CD2 4.37Å; L314-S316 PolarHBondContact O-N 2.74Å; L314-D317 HydrophobicContact CB-CB 4.34Å; L314-D317 VanDerWaalsContact CB-OD2 3.3Å; L314-D317 WeakPolarHBondContact CB-OD2 3.48Å; L314-D317 WeakPolarHBondContact CG-OD2 3.35Å; L314-D317 PolarHBondContact N-OD2 2.86Å; L314-D317 WeakPolarHBondContact O-CA 3.5Å; L314-D317 VanDerWaalsContact O-CB 3.26Å; L314-D317 WeakPolarHBondContact O-CB 3.41Å; L314-D317 PolarHBondContact O-N 3.47Å; L314-K389 VanDerWaalsContact CD1-NZ 3.26Å; L314-I396 HydrophobicContact CD2-CD1 4.08Å; L314-I396 HydrophobicContact CD2-CG1 4.27Å
315P96.9Very high95.2Very high6 Ų641.2 Ų41.24%0.03920%0.196CC..Hα-helixtrans-48.7-39.7169.1-31.837.6000113.6W310 D317 L318 E357 I360 M361W310-P315 HydrophobicContact CH2-CG 4.3Å; P315-D317 VanDerWaalsContact C-N 3.3Å; P315-D317 PolarHBondContact O-N 3.45Å; P315-L318 WeakPolarHBondContact O-CB 3.49Å; P315-L318 PolarHBondContact O-N 3.41Å; P315-E357 WeakPolarHBondContact CB-O 3.35Å; P315-E357 VanDerWaalsContact CD-OE2 3.27Å; P315-E357 WeakPolarHBondContact CD-OE2 3.31Å; P315-E357 HydrophobicContact CG-CB 4.22Å; P315-E357 WeakPolarHBondContact CG-O 3.3Å; P315-I360 HydrophobicContact CB-CB 4.23Å; P315-I360 HydrophobicContact CB-CG2 3.9Å; P315-M361 HydrophobicContact CB-CB 4.24Å; P315-M361 HydrophobicContact CG-CB 4.06Å; P315-M361 HydrophobicContact CG-CE 3.61Å
316S96.9Very high94.9Very high37 Ų3748.8 Ų48.826%0.25924%0.237SC..Hα-helixtrans-67.5-25.9175.362.80000114.1L314 L318 K319 R320 E357L314-S316 PolarHBondContact O-N 2.74Å; S316-L318 VanDerWaalsContact C-N 3.3Å; S316-L318 PolarHBondContact O-N 3.38Å; S316-K319 PolarHBondContact O-N 3.23Å; S316-R320 WeakPolarHBondContact O-CB 3.28Å; S316-R320 PolarHBondContact O-N 3Å; S316-R320 VanDerWaalsContact O-N 3.12Å; S316-E357 VanDerWaalsContact CB-OE1 3.26Å; S316-E357 WeakPolarHBondContact CB-OE1 3.23Å; S316-E357 WeakPolarHBondContact CB-OE2 3.45Å; S316-E357 PolarHBondContact N-OE2 3.42Å; S316-E357 PolarHBondContact OG-OE1 2.55Å; S316-E357 PolarHBondContact OG-OE2 3.32Å; S316-E357 VanDerWaalsContact OG-OE2 3.04Å
317D96.6Very high94.9Very high5 Ų549.6 Ų49.63%0.02724%0.243CC..Hα-helixtrans-66.9-33.1175.1-70.3-45.1000111.6L313 L314 P315 K319 R320 L321 Y385 K389L313-D317 HydrophobicContact CD1-CB 3.89Å; L314-D317 HydrophobicContact CB-CB 4.34Å; L314-D317 VanDerWaalsContact CB-OD2 3.3Å; L314-D317 WeakPolarHBondContact CB-OD2 3.48Å; L314-D317 WeakPolarHBondContact CG-OD2 3.35Å; L314-D317 PolarHBondContact N-OD2 2.86Å; L314-D317 WeakPolarHBondContact O-CA 3.5Å; L314-D317 VanDerWaalsContact O-CB 3.26Å; L314-D317 WeakPolarHBondContact O-CB 3.41Å; L314-D317 PolarHBondContact O-N 3.47Å; P315-D317 VanDerWaalsContact C-N 3.3Å; P315-D317 PolarHBondContact O-N 3.45Å; D317-K319 VanDerWaalsContact C-N 3.29Å; D317-K319 PolarHBondContact O-N 3.07Å; D317-R320 PolarHBondContact O-N 3.35Å; D317-R320 IonicContact OD1-CZ 2.73Å; D317-R320 IonicContact OD1-NE 3.56Å; D317-R320 PolarHBondContact OD1-NE 3.24Å; D317-R320 IonicContact OD1-NH2 2.62Å; D317-R320 PolarHBondContact OD1-NH2 3.01Å; D317-L321 HydrophobicContact CB-CD1 4.38Å; D317-L321 VanDerWaalsContact O-CB 3.29Å; D317-L321 WeakPolarHBondContact O-CB 3.22Å; D317-L321 VanDerWaalsContact O-CG 3.29Å; D317-L321 WeakPolarHBondContact O-CG 3.35Å; D317-L321 PolarHBondContact O-N 2.89Å; D317-Y385 HydrophobicContact CB-CE2 4.26Å; D317-Y385 PolarHBondContact OD2-OH 3.16Å; D317-K389 WeakPolarHBondContact OD1-CE 3.31Å; D317-K389 IonicContact OD1-NZ 2.87Å; D317-K389 PolarHBondContact OD1-NZ 3.33Å; D317-K389 WeakPolarHBondContact OD2-CE 3.3Å; D317-K389 IonicContact OD2-NZ 2.78Å; D317-K389 PolarHBondContact OD2-NZ 2.93Å
318L95.1Very high95Very high17 Ų1750.6 Ų50.69%0.08925%0.247CC..Hα-helixtrans-58.3-44.7179.4-56.8178000111.1A278 L313 P315 S316 N322 V323 L328 A368A278-L318 HydrophobicContact CB-CD1 4.26Å; L313-L318 HydrophobicContact CD1-CD2 4.25Å; L313-L318 HydrophobicContact CD2-CD2 3.66Å; L313-L318 HydrophobicContact CG-CD2 3.99Å; P315-L318 WeakPolarHBondContact O-CB 3.49Å; P315-L318 PolarHBondContact O-N 3.41Å; S316-L318 VanDerWaalsContact C-N 3.3Å; S316-L318 PolarHBondContact O-N 3.38Å; L318-N322 PolarHBondContact O-N 3.25Å; L318-V323 HydrophobicContact CD2-CG2 4.18Å; L318-V323 PolarHBondContact O-N 2.67Å; L318-L328 HydrophobicContact CD1-CD2 4.04Å; L318-L328 HydrophobicContact CD2-CD2 4.22Å; L318-A368 HydrophobicContact CD1-CB 3.88Å; L318-A368 HydrophobicContact CD2-CB 3.58Å; L318-A368 HydrophobicContact CG-CB 4.4Å
319K92.3Very high95.1Very high176 Ų17654 Ų5477%0.76527%0.265SS*.Hα-helixtrans-70.3-43.7176-173.3175.8-179.11770111.5S316 D317 L321 N322S316-K319 PolarHBondContact O-N 3.23Å; D317-K319 VanDerWaalsContact C-N 3.29Å; D317-K319 PolarHBondContact O-N 3.07Å; K319-L321 VanDerWaalsContact C-N 3.29Å; K319-L321 PolarHBondContact O-N 3.2Å; K319-N322 PolarHBondContact O-N 3.3Å; K319-N322 PolarHBondContact O-OD1 2.99Å
320R94.3Very high95.1Very high145 Ų14555.4 Ų55.455%0.54728%0.281SS..Hα-helixtrans-63.5-34.6-178.4-174.9177.862.176.80.7112.8S316 D317S316-R320 WeakPolarHBondContact O-CB 3.28Å; S316-R320 PolarHBondContact O-N 3Å; S316-R320 VanDerWaalsContact O-N 3.12Å; D317-R320 PolarHBondContact O-N 3.35Å; D317-R320 IonicContact OD1-CZ 2.73Å; D317-R320 IonicContact OD1-NE 3.56Å; D317-R320 PolarHBondContact OD1-NE 3.24Å; D317-R320 IonicContact OD1-NH2 2.62Å; D317-R320 PolarHBondContact OD1-NH2 3.01Å
321L94.6Very high95Very high21 Ų2156.6 Ų56.611%0.1129%0.287CS..THydrogen-bonded Turntrans-91.11.4-179.5-63.1176.9000113.1D317 K319 V323 L373 L376 Y380 Y385D317-L321 HydrophobicContact CB-CD1 4.38Å; D317-L321 VanDerWaalsContact O-CB 3.29Å; D317-L321 WeakPolarHBondContact O-CB 3.22Å; D317-L321 VanDerWaalsContact O-CG 3.29Å; D317-L321 WeakPolarHBondContact O-CG 3.35Å; D317-L321 PolarHBondContact O-N 2.89Å; K319-L321 VanDerWaalsContact C-N 3.29Å; K319-L321 PolarHBondContact O-N 3.2Å; L321-V323 VanDerWaalsContact C-N 3.26Å; L321-V323 HydrophobicContact CB-CG2 4.12Å; L321-V323 PolarHBondContact O-N 2.82Å; L321-L373 HydrophobicContact CD1-CD2 3.59Å; L321-L376 HydrophobicContact CB-CD1 4.46Å; L321-Y380 HydrophobicContact CD1-CE1 4.23Å; L321-Y380 HydrophobicContact CD2-CE1 4.45Å; L321-Y380 VanDerWaalsContact CD2-OH 3.26Å; L321-Y380 WeakPolarHBondContact CD2-OH 3.26Å; L321-Y385 HydrophobicContact CD1-CD2 4.01Å; L321-Y385 HydrophobicContact CD1-CE2 4.1Å
322N93.9Very high95Very high136 Ų13659.9 Ų59.973%0.72731%0.308SS*.THydrogen-bonded Turntrans49.745.8-175.5-63.9-42.8000112.5L318 K319L318-N322 PolarHBondContact O-N 3.25Å; K319-N322 PolarHBondContact O-N 3.3Å; K319-N322 PolarHBondContact O-OD1 2.99Å
323V94.2Very high95.1Very high17 Ų1766.4 Ų66.410%0.10334%0.342CS..  trans-60.4127.3178.11790000108.9L318 L321 L328 A372 L373L318-V323 HydrophobicContact CD2-CG2 4.18Å; L318-V323 PolarHBondContact O-N 2.67Å; L321-V323 VanDerWaalsContact C-N 3.26Å; L321-V323 HydrophobicContact CB-CG2 4.12Å; L321-V323 PolarHBondContact O-N 2.82Å; V323-L328 HydrophobicContact CB-CD2 4.41Å; V323-L328 HydrophobicContact CG1-CD2 3.85Å; V323-L328 HydrophobicContact CG1-CG 4.41Å; V323-A372 HydrophobicContact CG1-CB 4.18Å; V323-L373 HydrophobicContact CG2-CD2 4.43Å
324P92.6Very high95.1Very high32 Ų3276.5 Ų76.521%0.20838%0.38CS..  trans-58.8144.5-179-23.732.7000112D326 S327 F375P324-D326 PolarHBondContact O-N 2.98Å; P324-D326 VanDerWaalsContact O-N 3.17Å; P324-S327 PolarHBondContact O-N 2.9Å; P324-F375 VanDerWaalsContact CD-CD1 3.48Å; P324-F375 HydrophobicContact CG-CD1 3.5Å; P324-F375 HydrophobicContact CG-CD2 3.81Å; P324-F375 HydrophobicContact CG-CE1 3.36Å; P324-F375 HydrophobicContact CG-CE2 3.67Å; P324-F375 HydrophobicContact CG-CG 3.73Å; P324-F375 HydrophobicContact CG-CZ 3.44Å; P324-F375 VanDerWaalsContact CG-CZ 3.44Å
325K89.9Confident95.2Very high174 Ų17476.4 Ų76.476%0.75738%0.38SS*.G310 helixtrans-58.7-30.3178.4-67.9-173.5-180-179.40112.7S327 L328K325-S327 PolarHBondContact O-N 2.74Å; K325-L328 WeakPolarHBondContact O-CB 3.26Å; K325-L328 PolarHBondContact O-N 3.37Å; K325-L328 VanDerWaalsContact O-N 3.07Å
326D90.8Very high95.2Very high161 Ų16178.6 Ų78.686%0.86139%0.39SS*.G310 helixtrans-70.1-20.4179.4-56.6-24.3000113P324P324-D326 PolarHBondContact O-N 2.98Å; P324-D326 VanDerWaalsContact O-N 3.17Å
327S92.6Very high95.2Very high41 Ų4183.2 Ų83.229%0.28741%0.409SS..G310 helixtrans-89.8-4.7173.1-53.30000112.8P324 K325P324-S327 PolarHBondContact O-N 2.9Å; K325-S327 PolarHBondContact O-N 2.74Å
328L95.5Very high95.2Very high30 Ų3085.6 Ų85.616%0.15742%0.419CS..  trans-97.9147.6177.7-57-179.6000110.1L318 V323 K325 M366 A368L318-L328 HydrophobicContact CD1-CD2 4.04Å; L318-L328 HydrophobicContact CD2-CD2 4.22Å; V323-L328 HydrophobicContact CB-CD2 4.41Å; V323-L328 HydrophobicContact CG1-CD2 3.85Å; V323-L328 HydrophobicContact CG1-CG 4.41Å; K325-L328 WeakPolarHBondContact O-CB 3.26Å; K325-L328 PolarHBondContact O-N 3.37Å; K325-L328 VanDerWaalsContact O-N 3.07Å; L328-M366 HydrophobicContact CB-CB 4.26Å; L328-M366 HydrophobicContact CB-CE 3.43Å; L328-M366 VanDerWaalsContact CB-CE 3.43Å; L328-M366 HydrophobicContact CB-CG 4.49Å; L328-M366 HydrophobicContact CD1-CB 4.3Å; L328-M366 HydrophobicContact CD1-CG 4.36Å; L328-A368 HydrophobicContact CD2-CB 3.79Å
329I97.2Very high95.3Very high72 Ų7284.8 Ų84.837%0.36942%0.415SS..EExtended strand (participates in β ladder)trans-111.9127.9-178-58161.6000108M366 K367 E369I329-M366 CarbonylContact O-C 3.56Å; I329-M366 WeakPolarHBondContact O-CA 3.27Å; I329-K367 HydrophobicContact CB-CG 3.89Å; I329-K367 HydrophobicContact CG2-CG 4.21Å; I329-K367 PolarHBondContact N-O 3.14Å; I329-K367 WeakPolarHBondContact O-CG 3.48Å; I329-K367 PolarHBondContact O-N 3.12Å; I329-E369 HydrophobicContact CD1-CG 4.16Å
330P97.5Very high95.5Very high85 Ų8579.2 Ų79.255%0.55239%0.393SS*.EExtended strand (participates in β ladder)trans-59.8141173.5-2434.1000112.1T332 M366P330-T332 PolarHBondContact O-N 3.46Å; P330-M366 HydrophobicContact CB-SD 4.31Å; P330-M366 HydrophobicContact CG-CE 4.07Å; P330-M366 HydrophobicContact CG-SD 4.25Å
331L97.5Very high95.5Very high25 Ų2575 Ų7513%0.13139%0.386CS..PPolyproline II helixtrans-65.1132.6172.4-68.3179.4000110.1P280 D335 L339 M361 K365 K367P280-L331 HydrophobicContact CG-CD2 4.5Å; L331-D335 HydrophobicContact CB-CB 4.23Å; L331-D335 HydrophobicContact CD2-CB 3.82Å; L331-L339 HydrophobicContact CD1-CD2 4.38Å; L331-M361 HydrophobicContact CD1-CG 4.25Å; L331-K365 PolarHBondContact N-O 3.24Å; L331-K367 HydrophobicContact CD2-CB 3.74Å; L331-K367 HydrophobicContact CD2-CD 4.04Å; L331-K367 HydrophobicContact CD2-CG 4Å
332T97.8Very high95.5Very high70 Ų7074 Ų7443%0.42938%0.381SS..PPolyproline II helixtrans-79.5163.4169.569.20000110.6P330 R334 D335 Q336P330-T332 PolarHBondContact O-N 3.46Å; T332-R334 PolarHBondContact O-N 3.22Å; T332-R334 VanDerWaalsContact O-N 3.15Å; T332-R334 PolarHBondContact OG1-N 3.45Å; T332-D335 WeakPolarHBondContact CB-OD2 3.32Å; T332-D335 WeakPolarHBondContact CG2-OD2 3.22Å; T332-D335 PolarHBondContact N-OD2 3.13Å; T332-D335 WeakPolarHBondContact O-CB 3.49Å; T332-D335 PolarHBondContact O-N 3.27Å; T332-D335 PolarHBondContact OG1-N 3.15Å; T332-D335 PolarHBondContact OG1-OD2 2.97Å; T332-Q336 PolarHBondContact O-N 3.33Å
333N97.2Very high95.5Very high137 Ų13769.3 Ų69.373%0.73336%0.355SS*.Hα-helixtrans-55.1-34.3172.8-69.3-16.8000112.4Q336 M337N333-Q336 PolarHBondContact O-N 3.03Å; N333-M337 VanDerWaalsContact O-CG 3.27Å; N333-M337 WeakPolarHBondContact O-CG 3.43Å; N333-M337 PolarHBondContact O-N 2.83Å
334R97.1Very high95.4Very high211 Ų21178.4 Ų78.480%0.79639%0.388SS*.Hα-helixtrans-69.1-40.5176.7-67.3-177.8-179.3173.21.3111.7T332 Q336 M337 K338T332-R334 PolarHBondContact O-N 3.22Å; T332-R334 VanDerWaalsContact O-N 3.15Å; T332-R334 PolarHBondContact OG1-N 3.45Å; R334-Q336 VanDerWaalsContact C-N 3.34Å; R334-M337 PolarHBondContact O-N 2.86Å; R334-K338 WeakPolarHBondContact O-CB 3.06Å; R334-K338 PolarHBondContact O-N 2.73Å
335D97.9Very high95.3Very high6 Ų678 Ų783%0.03238%0.382CS..Hα-helixtrans-62.4-44.9175.4-60.8-51.5000110.3P280 H281 L331 T332 M337 K338 L339 K367P280-D335 HydrophobicContact CG-CB 4.13Å; P280-D335 WeakPolarHBondContact CG-O 3.26Å; H281-D335 IonicContact CD2-OD1 3.92Å; L331-D335 HydrophobicContact CB-CB 4.23Å; L331-D335 HydrophobicContact CD2-CB 3.82Å; T332-D335 WeakPolarHBondContact CB-OD2 3.32Å; T332-D335 WeakPolarHBondContact CG2-OD2 3.22Å; T332-D335 PolarHBondContact N-OD2 3.13Å; T332-D335 WeakPolarHBondContact O-CB 3.49Å; T332-D335 PolarHBondContact O-N 3.27Å; T332-D335 PolarHBondContact OG1-N 3.15Å; T332-D335 PolarHBondContact OG1-OD2 2.97Å; D335-M337 PolarHBondContact O-N 2.98Å; D335-K338 WeakPolarHBondContact O-CB 3.18Å; D335-K338 PolarHBondContact O-N 2.9Å; D335-K338 VanDerWaalsContact O-N 3.15Å; D335-L339 WeakPolarHBondContact O-CB 3.31Å; D335-L339 PolarHBondContact O-N 3.03Å; D335-K367 VanDerWaalsContact CG-NZ 3.32Å; D335-K367 IonicContact OD1-NZ 3.65Å; D335-K367 PolarHBondContact OD1-NZ 3.19Å; D335-K367 IonicContact OD2-NZ 3.04Å; D335-K367 PolarHBondContact OD2-NZ 2.78Å
336Q97.3Very high95.2Very high52 Ų5272.5 Ų72.524%0.24337%0.365CS..Hα-helixtrans-60.8-47.5177.8-166.466.351.800111.7T332 N333 R334 K338 L339 D340T332-Q336 PolarHBondContact O-N 3.33Å; N333-Q336 PolarHBondContact O-N 3.03Å; R334-Q336 VanDerWaalsContact C-N 3.34Å; Q336-K338 VanDerWaalsContact C-N 3.26Å; Q336-K338 PolarHBondContact O-N 3.1Å; Q336-L339 PolarHBondContact O-N 3.05Å; Q336-D340 PolarHBondContact NE2-OD1 3.39Å; Q336-D340 WeakPolarHBondContact O-CB 3.44Å; Q336-D340 PolarHBondContact O-N 3Å
337M97.1Very high95.1Very high135 Ų13564.9 Ų64.967%0.66532%0.324SS*.Hα-helixtrans-59.5-37.9175.4-71.9176-176.400112.2N333 R334 D335 S341N333-M337 VanDerWaalsContact O-CG 3.27Å; N333-M337 WeakPolarHBondContact O-CG 3.43Å; N333-M337 PolarHBondContact O-N 2.83Å; R334-M337 PolarHBondContact O-N 2.86Å; D335-M337 PolarHBondContact O-N 2.98Å; M337-S341 VanDerWaalsContact O-CB 3.31Å; M337-S341 WeakPolarHBondContact O-CB 3.49Å; M337-S341 PolarHBondContact O-N 3.05Å
338K96.8Very high94.9Very high54 Ų5463 Ų6324%0.23531%0.31CS..Hα-helixtrans-68.1-44.1176.5-176.368.7-179.9-173.20111.2P280 E284 R334 D335 Q336 S341 I342P280-K338 HydrophobicContact CB-CB 4.03Å; P280-K338 HydrophobicContact CB-CG 3.79Å; E284-K338 VanDerWaalsContact CD-NZ 3.33Å; E284-K338 IonicContact OE1-NZ 2.89Å; E284-K338 PolarHBondContact OE1-NZ 2.78Å; R334-K338 WeakPolarHBondContact O-CB 3.06Å; R334-K338 PolarHBondContact O-N 2.73Å; D335-K338 WeakPolarHBondContact O-CB 3.18Å; D335-K338 PolarHBondContact O-N 2.9Å; D335-K338 VanDerWaalsContact O-N 3.15Å; Q336-K338 VanDerWaalsContact C-N 3.26Å; Q336-K338 PolarHBondContact O-N 3.1Å; K338-S341 WeakPolarHBondContact O-CB 3.45Å; K338-S341 PolarHBondContact O-N 3.07Å; K338-I342 HydrophobicContact CG-CD1 4.12Å; K338-I342 WeakPolarHBondContact O-CG1 3.45Å; K338-I342 PolarHBondContact O-N 3.21Å
339L97.1Very high94.5Very high0 Ų065.9 Ų65.90%033%0.329CS..Hα-helixtrans-60-48.9177.2-174.757.3000111P280 L331 D335 Q336 S341 I342 L343 M358 M361 A362P280-L339 HydrophobicContact CB-CB 4.3Å; P280-L339 HydrophobicContact CG-CB 3.91Å; P280-L339 HydrophobicContact CG-CD1 4.45Å; L331-L339 HydrophobicContact CD1-CD2 4.38Å; D335-L339 WeakPolarHBondContact O-CB 3.31Å; D335-L339 PolarHBondContact O-N 3.03Å; Q336-L339 PolarHBondContact O-N 3.05Å; L339-S341 VanDerWaalsContact C-N 3.28Å; L339-S341 PolarHBondContact O-N 3.45Å; L339-I342 PolarHBondContact O-N 3.3Å; L339-I342 VanDerWaalsContact O-N 3.09Å; L339-L343 HydrophobicContact CG-CD1 4.26Å; L339-L343 WeakPolarHBondContact O-CG 3.48Å; L339-L343 PolarHBondContact O-N 3.39Å; L339-M358 HydrophobicContact CD1-CB 3.89Å; L339-M358 HydrophobicContact CD1-CG 3.78Å; L339-M358 HydrophobicContact CD1-SD 4.15Å; L339-M361 HydrophobicContact CD1-SD 4.19Å; L339-M361 HydrophobicContact CD2-CB 4.37Å; L339-M361 HydrophobicContact CD2-CG 4.22Å; L339-M361 HydrophobicContact CD2-SD 4.17Å; L339-A362 HydrophobicContact CD2-CB 3.84Å
340D96.1Very high94Very high60 Ų6068.9 Ų68.932%0.32134%0.336SS..Hα-helixtrans-60.4-39.7176.5-65.2-11.3000111.4Q336 L343 R344Q336-D340 PolarHBondContact NE2-OD1 3.39Å; Q336-D340 WeakPolarHBondContact O-CB 3.44Å; Q336-D340 PolarHBondContact O-N 3Å; D340-L343 PolarHBondContact O-N 2.72Å; D340-R344 VanDerWaalsContact O-CG 3.29Å; D340-R344 WeakPolarHBondContact O-CG 3.34Å; D340-R344 PolarHBondContact O-N 2.88Å
341S94.8Very high93.7Very high56 Ų5666.5 Ų66.539%0.39232%0.317SS..Hα-helixtrans-63.8-39175.1176.60000112.4M337 K338 L339 R345M337-S341 VanDerWaalsContact O-CB 3.31Å; M337-S341 WeakPolarHBondContact O-CB 3.49Å; M337-S341 PolarHBondContact O-N 3.05Å; K338-S341 WeakPolarHBondContact O-CB 3.45Å; K338-S341 PolarHBondContact O-N 3.07Å; L339-S341 VanDerWaalsContact C-N 3.28Å; L339-S341 PolarHBondContact O-N 3.45Å; S341-R345 WeakPolarHBondContact O-CG 3.47Å
342I94.4Very high93.5Very high0 Ų069.2 Ų69.20%034%0.337CS..Hα-helixtrans-69.8-45.1177-65.8165000110.3P280 I283 E284 K338 L339 R344 R345 V348 M358P280-I342 HydrophobicContact CB-CD1 4.32Å; P280-I342 WeakPolarHBondContact O-CD1 3.3Å; I283-I342 HydrophobicContact CB-CD1 4.49Å; I283-I342 HydrophobicContact CG2-CD1 4.36Å; I283-I342 HydrophobicContact CG2-CG2 4.02Å; E284-I342 HydrophobicContact CB-CD1 4.31Å; K338-I342 HydrophobicContact CG-CD1 4.12Å; K338-I342 WeakPolarHBondContact O-CG1 3.45Å; K338-I342 PolarHBondContact O-N 3.21Å; L339-I342 PolarHBondContact O-N 3.3Å; L339-I342 VanDerWaalsContact O-N 3.09Å; I342-R344 PolarHBondContact O-N 3.47Å; I342-R345 VanDerWaalsContact O-CB 3.25Å; I342-R345 WeakPolarHBondContact O-CB 3.15Å; I342-R345 WeakPolarHBondContact O-CG 3.46Å; I342-R345 PolarHBondContact O-N 3.12Å; I342-V348 HydrophobicContact CG2-CG2 4.32Å; I342-V348 VanDerWaalsContact O-CG2 3.25Å; I342-V348 WeakPolarHBondContact O-CG2 3.2Å; I342-M358 HydrophobicContact CB-SD 4.38Å; I342-M358 HydrophobicContact CG2-CE 4.45Å; I342-M358 HydrophobicContact CG2-SD 3.63Å
343L94.6Very high93.4Very high37 Ų3771.9 Ų71.919%0.19434%0.343CS..Hα-helixtrans-56.7-31.9178.9-80.6168.8000113.2L339 D340 R345 V348 R355 M358L339-L343 HydrophobicContact CG-CD1 4.26Å; L339-L343 WeakPolarHBondContact O-CG 3.48Å; L339-L343 PolarHBondContact O-N 3.39Å; D340-L343 PolarHBondContact O-N 2.72Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.31Å; L343-V348 HydrophobicContact CD2-CG1 4.38Å; L343-R355 HydrophobicContact CD2-CG 4.34Å; L343-M358 HydrophobicContact CD2-CB 3.67Å; L343-M358 HydrophobicContact CD2-CE 4.1Å; L343-M358 HydrophobicContact CD2-CG 4.45Å; L343-M358 HydrophobicContact CD2-SD 4.02Å; L343-M358 HydrophobicContact CG-CB 4.2Å; L343-M358 HydrophobicContact CG-SD 4.19Å
344R92.4Very high93.4Very high209 Ų20965.4 Ų65.479%0.78931%0.308SS*.THydrogen-bonded Turntrans-77.6-7177.1-69.1174.4-165.9-166.94.9114.3D340 I342D340-R344 VanDerWaalsContact O-CG 3.29Å; D340-R344 WeakPolarHBondContact O-CG 3.34Å; D340-R344 PolarHBondContact O-N 2.88Å; I342-R344 PolarHBondContact O-N 3.47Å
345R90.3Very high93.3Very high23 Ų2359.4 Ų59.49%0.08729%0.285CS..SBendtrans-72.2144.8-176.5-65.5-177.8-173.4-174.66.4111.4W78 E284 S341 I342 L343 Y347 V348W78-R345 HydrophobicContact CH2-CG 4.02Å; W78-R345 HydrophobicContact CZ2-CG 4.2Å; E284-R345 IonicContact OE1-CZ 3.14Å; E284-R345 IonicContact OE1-NH1 3.97Å; E284-R345 IonicContact OE1-NH2 3.84Å; E284-R345 PolarHBondContact OE1-NH2 3.41Å; E284-R345 IonicContact OE2-CZ 3.82Å; E284-R345 IonicContact OE2-NH1 2.69Å; E284-R345 PolarHBondContact OE2-NH1 3.01Å; E284-R345 IonicContact OE2-NH2 3.23Å; E284-R345 PolarHBondContact OE2-NH2 2.94Å; S341-R345 WeakPolarHBondContact O-CG 3.47Å; I342-R345 VanDerWaalsContact O-CB 3.25Å; I342-R345 WeakPolarHBondContact O-CB 3.15Å; I342-R345 WeakPolarHBondContact O-CG 3.46Å; I342-R345 PolarHBondContact O-N 3.12Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-R345 PolarHBondContact O-N 3.31Å; R345-Y347 HydrophobicContact CB-CD1 4.25Å; R345-Y347 HydrophobicContact CB-CD2 4.47Å; R345-Y347 HydrophobicContact CB-CE1 3.88Å; R345-Y347 HydrophobicContact CB-CE2 4.12Å; R345-Y347 WeakPolarHBondContact CD-OH 3.42Å; R345-Y347 HydrophobicContact CG-CE1 4.43Å; R345-Y347 PolarHBondContact NH1-OH 2.99Å; R345-Y347 PolarHBondContact O-N 2.93Å; R345-Y347 VanDerWaalsContact O-N 3.12Å; R345-V348 HydrophobicContact CB-CG2 4.32Å; R345-V348 PolarHBondContact O-N 3.3Å; R345-V348 VanDerWaalsContact O-N 3.1Å
346P87.4Confident93.3Very high59 Ų5965.1 Ų65.138%0.38331%0.31SS..THydrogen-bonded Turntrans-60.1-32.5-171.422.2-34.2000113.5W78 F83W78-P346 HydrophobicContact CZ3-CG 4.17Å; F83-P346 HydrophobicContact CB-CB 4.16Å; F83-P346 HydrophobicContact CB-CG 3.87Å; F83-P346 HydrophobicContact CG-CG 4.44Å
347Y88Confident93.3Very high0 Ų063.4 Ų63.40%030%0.302CS..THydrogen-bonded Turntrans-79.9-17-177.255.1-108.1000114.4F83 L89 C287 Y291 R345 T349 R350F83-Y347 AromaticContact CD2-CD1 4Å; F83-Y347 HydrophobicContact CD2-CD1 4Å; F83-Y347 HydrophobicContact CD2-CG 4.35Å; F83-Y347 VanDerWaalsContact CE1-CB 3.46Å; F83-Y347 HydrophobicContact CE2-CD1 4.16Å; F83-Y347 HydrophobicContact CE2-CG 4.14Å; F83-Y347 HydrophobicContact CZ-CG 4.41Å; L89-Y347 HydrophobicContact CD1-CE1 4.24Å; L89-Y347 HydrophobicContact CD2-CD1 4.04Å; L89-Y347 HydrophobicContact CD2-CE1 4.09Å; L89-Y347 HydrophobicContact CG-CE1 4.3Å; C287-Y347 HydrophobicContact CB-CE2 4.39Å; C287-Y347 WeakPolarHBondContact CB-OH 3.22Å; C287-Y347 PolarHBondContact SG-OH 3.5Å; C287-Y347 VanDerWaalsContact SG-OH 3.35Å; Y291-Y347 AromaticContact CD2-CD1 4Å; Y291-Y347 HydrophobicContact CD2-CD1 4Å; Y291-Y347 AromaticContact CD2-CD2 3.4Å; Y291-Y347 HydrophobicContact CD2-CD2 3.4Å; Y291-Y347 VanDerWaalsContact CD2-CD2 3.4Å; Y291-Y347 HydrophobicContact CD2-CE1 4.14Å; Y291-Y347 AromaticContact CD2-CE2 3.57Å; Y291-Y347 HydrophobicContact CD2-CE2 3.57Å; Y291-Y347 AromaticContact CD2-CG 3.6Å; Y291-Y347 HydrophobicContact CD2-CG 3.6Å; Y291-Y347 AromaticContact CD2-CZ 3.91Å; Y291-Y347 AromaticContact CE2-CD2 3.31Å; Y291-Y347 HydrophobicContact CE2-CD2 3.31Å; Y291-Y347 AromaticContact CE2-CE2 3.82Å; Y291-Y347 HydrophobicContact CE2-CE2 3.82Å; Y291-Y347 AromaticContact CE2-CG 3.71Å; Y291-Y347 HydrophobicContact CE2-CG 3.71Å; Y291-Y347 HydrophobicContact CG-CD1 4.25Å; Y291-Y347 HydrophobicContact CG-CD2 4.37Å; Y291-Y347 HydrophobicContact CG-CG 4.15Å; R345-Y347 HydrophobicContact CB-CD1 4.25Å; R345-Y347 HydrophobicContact CB-CD2 4.47Å; R345-Y347 HydrophobicContact CB-CE1 3.88Å; R345-Y347 HydrophobicContact CB-CE2 4.12Å; R345-Y347 WeakPolarHBondContact CD-OH 3.42Å; R345-Y347 HydrophobicContact CG-CE1 4.43Å; R345-Y347 PolarHBondContact NH1-OH 2.99Å; R345-Y347 PolarHBondContact O-N 2.93Å; R345-Y347 VanDerWaalsContact O-N 3.12Å; Y347-T349 VanDerWaalsContact C-N 3.28Å; Y347-T349 PolarHBondContact O-N 3.02Å; Y347-R350 PolarHBondContact O-N 3.49Å
348V90Very high93.3Very high1 Ų157 Ų571%0.00627%0.27CS..G310 helixtrans-68.5-33.6176.21740000110.6I342 L343 R345 R350 Q351 R355 M358I342-V348 HydrophobicContact CG2-CG2 4.32Å; I342-V348 VanDerWaalsContact O-CG2 3.25Å; I342-V348 WeakPolarHBondContact O-CG2 3.2Å; L343-V348 HydrophobicContact CD2-CG1 4.38Å; R345-V348 HydrophobicContact CB-CG2 4.32Å; R345-V348 PolarHBondContact O-N 3.3Å; R345-V348 VanDerWaalsContact O-N 3.1Å; V348-R350 PolarHBondContact O-N 2.96Å; V348-Q351 CarbonylContact O-C 3.54Å; V348-Q351 PolarHBondContact O-N 3.37Å; V348-R355 HydrophobicContact CG1-CB 4.01Å; V348-M358 HydrophobicContact CB-CE 4.36Å; V348-M358 HydrophobicContact CG1-CE 3.5Å; V348-M358 HydrophobicContact CG2-CE 3.89Å
349T85.4Confident93.3Very high91 Ų9158.7 Ų58.756%0.55828%0.279SS*.G310 helixtrans-60.8-26.7175.5-49.50000112.6Y347 R355Y347-T349 VanDerWaalsContact C-N 3.28Å; Y347-T349 PolarHBondContact O-N 3.02Å; T349-R355 PolarHBondContact OG1-NH2 2.82Å; T349-R355 VanDerWaalsContact OG1-NH2 3.16Å
350R86.7Confident93.3Very high136 Ų13661.2 Ų61.251%0.51329%0.292SS..G310 helixtrans-89.2-1.1176-57.4-164.4-170.3-174.7-2.4113.6D85 Y347 V348 P352D85-R350 WeakPolarHBondContact OD1-CD 3.33Å; D85-R350 IonicContact OD1-CZ 3.2Å; D85-R350 IonicContact OD1-NE 2.75Å; D85-R350 IonicContact OD1-NH1 2.67Å; D85-R350 PolarHBondContact OD1-NH1 3.35Å; D85-R350 VanDerWaalsContact OD1-NH1 3.14Å; D85-R350 WeakPolarHBondContact OD2-CD 2.98Å; D85-R350 IonicContact OD2-CZ 2.73Å; D85-R350 IonicContact OD2-NE 2.79Å; D85-R350 IonicContact OD2-NH1 3.24Å; D85-R350 PolarHBondContact OD2-NH1 3.43Å; Y347-R350 PolarHBondContact O-N 3.49Å; V348-R350 PolarHBondContact O-N 2.96Å; R350-P352 WeakPolarHBondContact O-CD 3.16Å
351Q91.8Very high93.3Very high34 Ų3458.4 Ų58.416%0.15928%0.277CS..  trans-123.374.1-179.6-63.1-63.6-11.800110.1Y291 V348 F353 W354 R355Y291-Q351 VanDerWaalsContact OH-CG 3.25Å; Y291-Q351 WeakPolarHBondContact OH-CG 3.23Å; Y291-Q351 PolarHBondContact OH-NE2 3.32Å; V348-Q351 CarbonylContact O-C 3.54Å; V348-Q351 PolarHBondContact O-N 3.37Å; Q351-F353 PolarHBondContact O-N 3.04Å; Q351-W354 HydrophobicContact CB-CB 3.77Å; Q351-W354 HydrophobicContact CB-CD2 4.19Å; Q351-W354 HydrophobicContact CB-CG 3.8Å; Q351-W354 HydrophobicContact CG-CD2 4.33Å; Q351-W354 HydrophobicContact CG-CG 4.41Å; Q351-W354 PolarHBondContact O-N 2.83Å; Q351-W354 VanDerWaalsContact O-N 3.08Å; Q351-R355 PolarHBondContact O-N 3.13Å
352P94.2Very high93.4Very high82 Ų8256.8 Ų56.853%0.53227%0.267SS..Hα-helixtrans-60.4-34.4-175.323.8-33.9000112.6R350 R355 K356R350-P352 WeakPolarHBondContact O-CD 3.16Å; P352-R355 PolarHBondContact O-N 3.03Å; P352-K356 PolarHBondContact O-N 3.3Å
353F95.6Very high93.5Very high127 Ų12763.2 Ų63.256%0.55730%0.301SS*.Hα-helixtrans-66.6-41.1175.6-60.5-69.5000112.1Q351 K356 E357 I396Q351-F353 PolarHBondContact O-N 3.04Å; F353-K356 PolarHBondContact O-N 3.49Å; F353-E357 WeakPolarHBondContact O-CG 3.3Å; F353-E357 PolarHBondContact O-N 2.73Å; F353-E357 VanDerWaalsContact O-N 3.07Å; F353-I396 HydrophobicContact CB-CB 3.97Å; F353-I396 HydrophobicContact CB-CD1 4.12Å; F353-I396 HydrophobicContact CB-CG2 4Å; F353-I396 HydrophobicContact CG-CG2 4.41Å
354W95.6Very high93.5Very high1 Ų164.2 Ų64.20%0.00431%0.311CS..Hα-helixtrans-66.7-40.7176.5-69.725.6000111.4M286 K290 Y291 W310 Q351 K356 E357 M358 I396M286-W354 HydrophobicContact CE-CD2 3.98Å; M286-W354 HydrophobicContact CE-CE3 3.65Å; M286-W354 HydrophobicContact CE-CH2 3.22Å; M286-W354 HydrophobicContact CE-CZ2 3.58Å; M286-W354 HydrophobicContact CE-CZ3 3.27Å; M286-W354 HydrophobicContact CG-CH2 3.67Å; M286-W354 HydrophobicContact CG-CZ2 4.23Å; M286-W354 HydrophobicContact CG-CZ3 4.39Å; M286-W354 HydrophobicContact SD-CH2 3.36Å; M286-W354 WeakPolarHBondContact SD-CH2 3.29Å; M286-W354 HydrophobicContact SD-CZ2 3.42Å; M286-W354 WeakPolarHBondContact SD-CZ2 3.32Å; M286-W354 HydrophobicContact SD-CZ3 4.09Å; K290-W354 HydrophobicContact CD-CH2 3.39Å; K290-W354 HydrophobicContact CD-CZ2 3.74Å; K290-W354 HydrophobicContact CD-CZ3 4.33Å; Y291-W354 HydrophobicContact CE2-CH2 4.35Å; Y291-W354 HydrophobicContact CE2-CZ3 4.04Å; W310-W354 HydrophobicContact CB-CZ2 4.38Å; W310-W354 HydrophobicContact CE3-CG 4.38Å; Q351-W354 HydrophobicContact CB-CB 3.77Å; Q351-W354 HydrophobicContact CB-CD2 4.19Å; Q351-W354 HydrophobicContact CB-CG 3.8Å; Q351-W354 HydrophobicContact CG-CD2 4.33Å; Q351-W354 HydrophobicContact CG-CG 4.41Å; Q351-W354 PolarHBondContact O-N 2.83Å; Q351-W354 VanDerWaalsContact O-N 3.08Å; W354-K356 VanDerWaalsContact C-N 3.31Å; W354-K356 PolarHBondContact O-N 3.45Å; W354-E357 PolarHBondContact O-N 3.24Å; W354-M358 HydrophobicContact CB-CE 4.15Å; W354-M358 WeakPolarHBondContact O-CE 3.34Å; W354-M358 PolarHBondContact O-N 2.87Å; W354-I396 PolarHBondContact NE1-O 2.79Å
355R96.2Very high93.7Very high84 Ų8461 Ų6132%0.31730%0.303SS..Hα-helixtrans-56.4-47.9173.5177.2176.3-70.8177.9-1.9110.8L343 V348 T349 Q351 P352 E357 M358 E359L343-R355 HydrophobicContact CD2-CG 4.34Å; V348-R355 HydrophobicContact CG1-CB 4.01Å; T349-R355 PolarHBondContact OG1-NH2 2.82Å; T349-R355 VanDerWaalsContact OG1-NH2 3.16Å; Q351-R355 PolarHBondContact O-N 3.13Å; P352-R355 PolarHBondContact O-N 3.03Å; R355-E357 VanDerWaalsContact C-N 3.35Å; R355-E357 PolarHBondContact O-N 3.19Å; R355-M358 PolarHBondContact O-N 2.9Å; R355-M358 VanDerWaalsContact O-N 3.16Å; R355-E359 WeakPolarHBondContact CD-OE1 3.28Å; R355-E359 HydrophobicContact CG-CG 4.31Å; R355-E359 VanDerWaalsContact CG-OE1 3.22Å; R355-E359 WeakPolarHBondContact CG-OE1 3.48Å; R355-E359 WeakPolarHBondContact O-CG 3.33Å; R355-E359 PolarHBondContact O-N 3.32Å
356K96.9Very high94Very high126 Ų12662 Ų6255%0.54831%0.309SS..Hα-helixtrans-59.2-43.3178.2-174.2176.9-178.9178.10112.6P352 F353 W354 E359 I360P352-K356 PolarHBondContact O-N 3.3Å; F353-K356 PolarHBondContact O-N 3.49Å; W354-K356 VanDerWaalsContact C-N 3.31Å; W354-K356 PolarHBondContact O-N 3.45Å; K356-E359 PolarHBondContact O-N 3.02Å; K356-I360 HydrophobicContact CG-CD1 4.27Å; K356-I360 VanDerWaalsContact O-CG1 3.27Å; K356-I360 WeakPolarHBondContact O-CG1 3.32Å; K356-I360 PolarHBondContact O-N 3.32Å
357E97.8Very high94.5Very high17 Ų1760.8 Ų60.88%0.07930%0.298CS..Hα-helixtrans-63.1-41.4175.9-70-55.814400112.2W310 P315 S316 F353 W354 R355 I360 M361 I396W310-E357 HydrophobicContact CH2-CB 4.09Å; W310-E357 HydrophobicContact CZ3-CB 3.74Å; W310-E357 HydrophobicContact CZ3-CG 4.21Å; P315-E357 WeakPolarHBondContact CB-O 3.35Å; P315-E357 VanDerWaalsContact CD-OE2 3.27Å; P315-E357 WeakPolarHBondContact CD-OE2 3.31Å; P315-E357 HydrophobicContact CG-CB 4.22Å; P315-E357 WeakPolarHBondContact CG-O 3.3Å; S316-E357 VanDerWaalsContact CB-OE1 3.26Å; S316-E357 WeakPolarHBondContact CB-OE1 3.23Å; S316-E357 WeakPolarHBondContact CB-OE2 3.45Å; S316-E357 PolarHBondContact N-OE2 3.42Å; S316-E357 PolarHBondContact OG-OE1 2.55Å; S316-E357 PolarHBondContact OG-OE2 3.32Å; S316-E357 VanDerWaalsContact OG-OE2 3.04Å; F353-E357 WeakPolarHBondContact O-CG 3.3Å; F353-E357 PolarHBondContact O-N 2.73Å; F353-E357 VanDerWaalsContact O-N 3.07Å; W354-E357 PolarHBondContact O-N 3.24Å; R355-E357 VanDerWaalsContact C-N 3.35Å; R355-E357 PolarHBondContact O-N 3.19Å; E357-I360 PolarHBondContact O-N 3.18Å; E357-M361 PolarHBondContact O-N 3.18Å; E357-I396 HydrophobicContact CG-CD1 3.56Å
358M96.9Very high94.9Very high0 Ų060.8 Ų60.80%030%0.298CS..Hα-helixtrans-66.1-36.5175.3-76.7-176.8-80.100113I283 L339 I342 L343 V348 W354 R355 M361 A362I283-M358 HydrophobicContact CD1-CG 3.74Å; I283-M358 HydrophobicContact CD1-SD 4.38Å; I283-M358 HydrophobicContact CG2-SD 4.22Å; L339-M358 HydrophobicContact CD1-CB 3.89Å; L339-M358 HydrophobicContact CD1-CG 3.78Å; L339-M358 HydrophobicContact CD1-SD 4.15Å; I342-M358 HydrophobicContact CB-SD 4.38Å; I342-M358 HydrophobicContact CG2-CE 4.45Å; I342-M358 HydrophobicContact CG2-SD 3.63Å; L343-M358 HydrophobicContact CD2-CB 3.67Å; L343-M358 HydrophobicContact CD2-CE 4.1Å; L343-M358 HydrophobicContact CD2-CG 4.45Å; L343-M358 HydrophobicContact CD2-SD 4.02Å; L343-M358 HydrophobicContact CG-CB 4.2Å; L343-M358 HydrophobicContact CG-SD 4.19Å; V348-M358 HydrophobicContact CB-CE 4.36Å; V348-M358 HydrophobicContact CG1-CE 3.5Å; V348-M358 HydrophobicContact CG2-CE 3.89Å; W354-M358 HydrophobicContact CB-CE 4.15Å; W354-M358 WeakPolarHBondContact O-CE 3.34Å; W354-M358 PolarHBondContact O-N 2.87Å; R355-M358 PolarHBondContact O-N 2.9Å; R355-M358 VanDerWaalsContact O-N 3.16Å; M358-M361 WeakPolarHBondContact O-CB 3.2Å; M358-M361 PolarHBondContact O-N 3.15Å; M358-A362 WeakPolarHBondContact O-CB 3.45Å; M358-A362 PolarHBondContact O-N 3.46Å
359E96.6Very high95.2Very high90 Ų9064.4 Ų64.442%0.42132%0.315SS..Hα-helixtrans-65.1-43.9173.6-73165.4175.600111R355 K356 M361 A362 D363R355-E359 WeakPolarHBondContact CD-OE1 3.28Å; R355-E359 HydrophobicContact CG-CG 4.31Å; R355-E359 VanDerWaalsContact CG-OE1 3.22Å; R355-E359 WeakPolarHBondContact CG-OE1 3.48Å; R355-E359 WeakPolarHBondContact O-CG 3.33Å; R355-E359 PolarHBondContact O-N 3.32Å; K356-E359 PolarHBondContact O-N 3.02Å; E359-M361 VanDerWaalsContact C-N 3.26Å; E359-M361 PolarHBondContact O-N 3.49Å; E359-A362 PolarHBondContact O-N 2.96Å; E359-A362 VanDerWaalsContact O-N 3.13Å; E359-D363 WeakPolarHBondContact O-CB 3.18Å; E359-D363 VanDerWaalsContact O-CG 3.29Å; E359-D363 PolarHBondContact O-N 3.01Å
360I97.4Very high95.7Very high52 Ų5260.2 Ų60.227%0.26729%0.289SS..Hα-helixtrans-57.2-42.4173.2-68.9165.9000110.9P315 K356 E357 S364P315-I360 HydrophobicContact CB-CB 4.23Å; P315-I360 HydrophobicContact CB-CG2 3.9Å; K356-I360 HydrophobicContact CG-CD1 4.27Å; K356-I360 VanDerWaalsContact O-CG1 3.27Å; K356-I360 WeakPolarHBondContact O-CG1 3.32Å; K356-I360 PolarHBondContact O-N 3.32Å; E357-I360 PolarHBondContact O-N 3.18Å; I360-S364 VanDerWaalsContact O-CB 3.31Å; I360-S364 WeakPolarHBondContact O-CB 3.44Å; I360-S364 PolarHBondContact O-N 3.08Å; I360-S364 PolarHBondContact O-OG 3.17Å
361M97.2Very high96Very high2 Ų256.4 Ų56.41%0.0128%0.277CS..Hα-helixtrans-63.2-46.6175.7-173-174.2-65.300111.6A278 P280 I283 P315 L331 L339 E357 M358 E359 S364 K365A278-M361 VanDerWaalsContact C-CE 3.46Å; A278-M361 WeakPolarHBondContact O-CE 3.41Å; P280-M361 HydrophobicContact CG-SD 4.02Å; I283-M361 HydrophobicContact CD1-CE 3.72Å; I283-M361 HydrophobicContact CD1-SD 4.4Å; P315-M361 HydrophobicContact CB-CB 4.24Å; P315-M361 HydrophobicContact CG-CB 4.06Å; P315-M361 HydrophobicContact CG-CE 3.61Å; L331-M361 HydrophobicContact CD1-CG 4.25Å; L339-M361 HydrophobicContact CD1-SD 4.19Å; L339-M361 HydrophobicContact CD2-CB 4.37Å; L339-M361 HydrophobicContact CD2-CG 4.22Å; L339-M361 HydrophobicContact CD2-SD 4.17Å; E357-M361 PolarHBondContact O-N 3.18Å; M358-M361 WeakPolarHBondContact O-CB 3.2Å; M358-M361 PolarHBondContact O-N 3.15Å; E359-M361 VanDerWaalsContact C-N 3.26Å; E359-M361 PolarHBondContact O-N 3.49Å; M361-S364 PolarHBondContact O-OG 2.79Å; M361-S364 VanDerWaalsContact O-OG 3.04Å; M361-K365 PolarHBondContact O-N 2.69Å
362A96.6Very high96.1Very high21 Ų2155.3 Ų55.317%0.17427%0.274CS..Hα-helixtrans-62.2-43.1178.600000112.5L339 M358 E359 K365L339-A362 HydrophobicContact CD2-CB 3.84Å; M358-A362 WeakPolarHBondContact O-CB 3.45Å; M358-A362 PolarHBondContact O-N 3.46Å; E359-A362 PolarHBondContact O-N 2.96Å; E359-A362 VanDerWaalsContact O-N 3.13Å; A362-K365 VanDerWaalsContact O-CG 3.3Å; A362-K365 WeakPolarHBondContact O-CG 3.36Å; A362-K365 PolarHBondContact O-N 2.99Å
363D96.5Very high96.1Very high136 Ų13651.6 Ų51.673%0.72725%0.249SC*.Hα-helixtrans-67.7-43.7-179.7-72.7-15.6000111.7E359 K365E359-D363 WeakPolarHBondContact O-CB 3.18Å; E359-D363 VanDerWaalsContact O-CG 3.29Å; E359-D363 PolarHBondContact O-N 3.01Å; D363-K365 VanDerWaalsContact C-N 3.28Å; D363-K365 PolarHBondContact O-N 2.91Å
364S94.8Very high95.9Very high58 Ų5849.7 Ų49.741%0.40625%0.248SC..Hα-helixtrans-70.1-26.3178.267.40000112.8I360 M361 M366I360-S364 VanDerWaalsContact O-CB 3.31Å; I360-S364 WeakPolarHBondContact O-CB 3.44Å; I360-S364 PolarHBondContact O-N 3.08Å; I360-S364 PolarHBondContact O-OG 3.17Å; M361-S364 PolarHBondContact O-OG 2.79Å; M361-S364 VanDerWaalsContact O-OG 3.04Å; S364-M366 WeakPolarHBondContact O-CG 3.37Å; S364-M366 PolarHBondContact O-N 2.85Å; S364-M366 PolarHBondContact OG-N 3.23Å
365K96.2Very high95.6Very high140 Ų14055.9 Ų55.961%0.60928%0.275SS*.THydrogen-bonded Turntrans55.325.3-171.7-57.9-177.3-179.5179.40113.6L331 M361 A362 D363L331-K365 PolarHBondContact N-O 3.24Å; M361-K365 PolarHBondContact O-N 2.69Å; A362-K365 VanDerWaalsContact O-CG 3.3Å; A362-K365 WeakPolarHBondContact O-CG 3.36Å; A362-K365 PolarHBondContact O-N 2.99Å; D363-K365 VanDerWaalsContact C-N 3.28Å; D363-K365 PolarHBondContact O-N 2.91Å
366M96.6Very high95.3Very high44 Ų4455.5 Ų55.522%0.21728%0.279CS..EExtended strand (participates in β ladder)trans-121.9149.2179.3-56.9-55.4-75.800110.4L328 I329 P330 S364L328-M366 HydrophobicContact CB-CB 4.26Å; L328-M366 HydrophobicContact CB-CE 3.43Å; L328-M366 VanDerWaalsContact CB-CE 3.43Å; L328-M366 HydrophobicContact CB-CG 4.49Å; L328-M366 HydrophobicContact CD1-CB 4.3Å; L328-M366 HydrophobicContact CD1-CG 4.36Å; I329-M366 CarbonylContact O-C 3.56Å; I329-M366 WeakPolarHBondContact O-CA 3.27Å; P330-M366 HydrophobicContact CB-SD 4.31Å; P330-M366 HydrophobicContact CG-CE 4.07Å; P330-M366 HydrophobicContact CG-SD 4.25Å; S364-M366 WeakPolarHBondContact O-CG 3.37Å; S364-M366 PolarHBondContact O-N 2.85Å; S364-M366 PolarHBondContact OG-N 3.23Å
367K96.7Very high95.1Very high34 Ų3451.5 Ų51.515%0.14827%0.267CS..EExtended strand (participates in β ladder)trans-123.1164.1167.461.1179177.9-173.10110.3A278 D279 I329 L331 D335A278-K367 VanDerWaalsContact O-CA 3.28Å; A278-K367 WeakPolarHBondContact O-CA 3.35Å; A278-K367 VanDerWaalsContact O-CB 3.27Å; A278-K367 WeakPolarHBondContact O-CB 3.47Å; D279-K367 HydrophobicContact CB-CB 3.71Å; D279-K367 HydrophobicContact CB-CD 3.77Å; D279-K367 HydrophobicContact CB-CG 4.31Å; I329-K367 HydrophobicContact CB-CG 3.89Å; I329-K367 HydrophobicContact CG2-CG 4.21Å; I329-K367 PolarHBondContact N-O 3.14Å; I329-K367 WeakPolarHBondContact O-CG 3.48Å; I329-K367 PolarHBondContact O-N 3.12Å; L331-K367 HydrophobicContact CD2-CB 3.74Å; L331-K367 HydrophobicContact CD2-CD 4.04Å; L331-K367 HydrophobicContact CD2-CG 4Å; D335-K367 VanDerWaalsContact CG-NZ 3.32Å; D335-K367 IonicContact OD1-NZ 3.65Å; D335-K367 PolarHBondContact OD1-NZ 3.19Å; D335-K367 IonicContact OD2-NZ 3.04Å; D335-K367 PolarHBondContact OD2-NZ 2.78Å
368A97.4Very high94.8Very high1 Ų154.4 Ų54.41%0.00829%0.289CS..BIsolated β-bridgetrans-144.1140.2176.800000111.5A278 L313 L318 L328 A372A278-A368 HydrophobicContact CB-CB 4.28Å; A278-A368 PolarHBondContact N-O 2.92Å; A278-A368 PolarHBondContact O-N 3.29Å; A278-A368 VanDerWaalsContact O-N 3.17Å; L313-A368 HydrophobicContact CD2-CB 4.17Å; L318-A368 HydrophobicContact CD1-CB 3.88Å; L318-A368 HydrophobicContact CD2-CB 3.58Å; L318-A368 HydrophobicContact CG-CB 4.4Å; L328-A368 HydrophobicContact CD2-CB 3.79Å; A368-A372 HydrophobicContact CB-CB 4.17Å
369E96.4Very high94.5Very high77 Ų7756.2 Ų56.236%0.3630%0.299SS..  trans-75.1155164.8-51.6-162.5146.100110K225 I329 Q371 A372K225-E369 IonicContact NZ-OE1 2.66Å; K225-E369 PolarHBondContact NZ-OE1 2.66Å; K225-E369 IonicContact NZ-OE2 2.87Å; K225-E369 PolarHBondContact NZ-OE2 2.91Å; I329-E369 HydrophobicContact CD1-CG 4.16Å; E369-Q371 HydrophobicContact CB-CB 4.4Å; E369-Q371 PolarHBondContact O-N 2.97Å; E369-Q371 VanDerWaalsContact O-N 3.12Å; E369-Q371 PolarHBondContact OE2-OE1 2.95Å; E369-A372 WeakPolarHBondContact O-CB 3.41Å; E369-A372 PolarHBondContact O-N 3.01Å
370I95.1Very high94.5Very high3 Ų353.8 Ų53.82%0.01529%0.286CS..G310 helixtrans-54.5-32.2172.7-68.6154.8000111T228 L275 D277 L313 A372 L373 L381T228-I370 HydrophobicContact CG2-CD1 4.34Å; T228-I370 HydrophobicContact CG2-CG2 3.86Å; L275-I370 HydrophobicContact CD1-CD1 4.32Å; L275-I370 HydrophobicContact CD1-CG1 4.4Å; L275-I370 HydrophobicContact CD2-CD1 4.35Å; L275-I370 HydrophobicContact CG-CD1 3.81Å; L275-I370 HydrophobicContact CG-CG1 4.41Å; D277-I370 WeakPolarHBondContact OD1-CD1 3.27Å; D277-I370 WeakPolarHBondContact OD1-CG1 3.32Å; D277-I370 PolarHBondContact OD1-N 3.12Å; L313-I370 HydrophobicContact CB-CG1 4.37Å; I370-A372 PolarHBondContact O-N 2.61Å; I370-A372 VanDerWaalsContact O-N 3.14Å; I370-L373 PolarHBondContact O-N 3.2Å; I370-L381 HydrophobicContact CG2-CD1 3.98Å; I370-L381 HydrophobicContact CG2-CD2 3.71Å; I370-L381 HydrophobicContact CG2-CG 4.48Å
371Q93.6Very high94.4Very high55 Ų5552.4 Ų52.426%0.25728%0.279SS..G310 helixtrans-59.5-19.7175.9-72.175.312.800113.6T228 E369 L373 T374T228-Q371 PolarHBondContact OG1-NE2 3Å; T228-Q371 VanDerWaalsContact OG1-NE2 3.07Å; E369-Q371 HydrophobicContact CB-CB 4.4Å; E369-Q371 PolarHBondContact O-N 2.97Å; E369-Q371 VanDerWaalsContact O-N 3.12Å; E369-Q371 PolarHBondContact OE2-OE1 2.95Å; Q371-L373 PolarHBondContact O-N 3.39Å; Q371-L373 VanDerWaalsContact O-N 3.09Å; Q371-T374 WeakPolarHBondContact O-CB 3.34Å; Q371-T374 WeakPolarHBondContact O-CG2 3.4Å; Q371-T374 PolarHBondContact O-N 3.12Å; Q371-T374 PolarHBondContact O-OG1 3.13Å
372A93.9Very high94.3Very high11 Ų1152.4 Ų52.49%0.09128%0.28CS..G310 helixtrans-59.3-23.4176.300000112.5V323 A368 E369 I370 T374V323-A372 HydrophobicContact CG1-CB 4.18Å; A368-A372 HydrophobicContact CB-CB 4.17Å; E369-A372 WeakPolarHBondContact O-CB 3.41Å; E369-A372 PolarHBondContact O-N 3.01Å; I370-A372 PolarHBondContact O-N 2.61Å; I370-A372 VanDerWaalsContact O-N 3.14Å; A372-T374 PolarHBondContact O-N 3.48Å
373L93.5Very high94.2Very high4 Ų459 Ų592%0.02130%0.3CS..G310 helixtrans-70.3-15.4175.3-60.6-175.1000113.9L313 L321 V323 I370 Q371 F375 L376 Y380 L381 Y385L313-L373 HydrophobicContact CD1-CD1 4.24Å; L313-L373 HydrophobicContact CD1-CD2 4.09Å; L313-L373 HydrophobicContact CD1-CG 4.37Å; L321-L373 HydrophobicContact CD1-CD2 3.59Å; V323-L373 HydrophobicContact CG2-CD2 4.43Å; I370-L373 PolarHBondContact O-N 3.2Å; Q371-L373 PolarHBondContact O-N 3.39Å; Q371-L373 VanDerWaalsContact O-N 3.09Å; L373-F375 PolarHBondContact O-N 3.35Å; L373-L376 PolarHBondContact O-N 2.87Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L373-Y380 HydrophobicContact CB-CD1 4.23Å; L373-Y380 HydrophobicContact CD1-CD1 4.5Å; L373-L381 HydrophobicContact CD1-CD1 4.03Å; L373-Y385 HydrophobicContact CD1-CD1 4.18Å; L373-Y385 HydrophobicContact CD1-CD2 4.01Å; L373-Y385 HydrophobicContact CD1-CE2 4.37Å; L373-Y385 HydrophobicContact CD1-CG 3.91Å
374T91.1Very high94.1Very high87 Ų8754.9 Ų54.953%0.53428%0.28SS..G310 helixtrans-67-18179.960.80000113.1Q371 A372 L376 S377Q371-T374 WeakPolarHBondContact O-CB 3.34Å; Q371-T374 WeakPolarHBondContact O-CG2 3.4Å; Q371-T374 PolarHBondContact O-N 3.12Å; Q371-T374 PolarHBondContact O-OG1 3.13Å; A372-T374 PolarHBondContact O-N 3.48Å; T374-L376 PolarHBondContact O-N 3.47Å; T374-S377 WeakPolarHBondContact CA-O 3.45Å; T374-S377 CarbonylContact O-C 3.45Å; T374-S377 PolarHBondContact O-N 3.45Å
375F90.1Very high94.3Very high131 Ų13152.3 Ų52.358%0.57526%0.261SS*.G310 helixtrans-57.1-33.2170.7172.4-97.3000112.9P324 L373P324-F375 VanDerWaalsContact CD-CD1 3.48Å; P324-F375 HydrophobicContact CG-CD1 3.5Å; P324-F375 HydrophobicContact CG-CD2 3.81Å; P324-F375 HydrophobicContact CG-CE1 3.36Å; P324-F375 HydrophobicContact CG-CE2 3.67Å; P324-F375 HydrophobicContact CG-CG 3.73Å; P324-F375 HydrophobicContact CG-CZ 3.44Å; P324-F375 VanDerWaalsContact CG-CZ 3.44Å; L373-F375 PolarHBondContact O-N 3.35Å
376L90.8Very high94.3Very high76 Ų7645.7 Ų45.740%0.39823%0.232SC..THydrogen-bonded Turntrans-77.9-51.1179.1-66.6170.8000111.5L321 L373 T374 Y380L321-L376 HydrophobicContact CB-CD1 4.46Å; L373-L376 PolarHBondContact O-N 2.87Å; L373-L376 VanDerWaalsContact O-N 3.14Å; T374-L376 PolarHBondContact O-N 3.47Å; L376-Y380 HydrophobicContact CB-CD1 4.39Å; L376-Y380 HydrophobicContact CB-CD2 3.78Å; L376-Y380 HydrophobicContact CB-CE2 4.26Å; L376-Y380 HydrophobicContact CB-CG 3.86Å; L376-Y380 HydrophobicContact CD1-CD1 3.83Å; L376-Y380 HydrophobicContact CD1-CD2 4.03Å; L376-Y380 HydrophobicContact CD1-CE1 3.56Å; L376-Y380 HydrophobicContact CD1-CE2 3.77Å; L376-Y380 HydrophobicContact CD1-CG 4.06Å
377S92.3Very high94.3Very high42 Ų4244.5 Ų44.529%0.29423%0.228SC..  trans-163.7156.2166.475.20000109.5T374 D379 Y380T374-S377 WeakPolarHBondContact CA-O 3.45Å; T374-S377 CarbonylContact O-C 3.45Å; T374-S377 PolarHBondContact O-N 3.45Å; S377-D379 PolarHBondContact O-N 3.04Å; S377-D379 VanDerWaalsContact O-N 3.11Å; S377-D379 PolarHBondContact OG-OD1 2.98Å; S377-Y380 WeakPolarHBondContact O-CB 3.44Å; S377-Y380 PolarHBondContact O-N 3.39Å; S377-Y380 VanDerWaalsContact O-N 3.13Å; S377-Y380 VanDerWaalsContact OG-CA 3.32Å; S377-Y380 WeakPolarHBondContact OG-CA 3.49Å; S377-Y380 WeakPolarHBondContact OG-CB 3.27Å; S377-Y380 PolarHBondContact OG-N 3Å
378S90.2Very high94.2Very high78 Ų7846.5 Ų46.555%0.54524%0.24SC..THydrogen-bonded Turntrans-64.2-16.3-179.361.90000114.2R231R231-S378 PolarHBondContact NE-O 3Å; R231-S378 PolarHBondContact NH2-O 3.39Å
379D92.3Very high94.2Very high38 Ų3847 Ų4720%0.20324%0.242CC..THydrogen-bonded Turntrans-119.811.7178.963.2-5.3000112.7S377 L381 S382 R383S377-D379 PolarHBondContact O-N 3.04Å; S377-D379 VanDerWaalsContact O-N 3.11Å; S377-D379 PolarHBondContact OG-OD1 2.98Å; D379-L381 PolarHBondContact O-N 3.38Å; D379-S382 PolarHBondContact O-N 2.85Å; D379-S382 PolarHBondContact O-OG 3.22Å; D379-S382 VanDerWaalsContact O-OG 3.12Å; D379-R383 HydrophobicContact CB-CG 4.18Å; D379-R383 WeakPolarHBondContact O-CB 3.46Å; D379-R383 PolarHBondContact O-N 3.32Å; D379-R383 WeakPolarHBondContact OD2-CD 3.42Å; D379-R383 IonicContact OD2-CZ 3.41Å; D379-R383 IonicContact OD2-NE 2.8Å; D379-R383 PolarHBondContact OD2-NE 3.36Å; D379-R383 IonicContact OD2-NH2 3.7Å
380Y95.6Very high94.1Very high40 Ų4043.4 Ų43.416%0.15723%0.225CC..Hα-helixtrans-57.7-40-177.5-175.5-96.7000111.7L321 L373 L376 S377 V384 Y385L321-Y380 HydrophobicContact CD1-CE1 4.23Å; L321-Y380 HydrophobicContact CD2-CE1 4.45Å; L321-Y380 VanDerWaalsContact CD2-OH 3.26Å; L321-Y380 WeakPolarHBondContact CD2-OH 3.26Å; L373-Y380 HydrophobicContact CB-CD1 4.23Å; L373-Y380 HydrophobicContact CD1-CD1 4.5Å; L376-Y380 HydrophobicContact CB-CD1 4.39Å; L376-Y380 HydrophobicContact CB-CD2 3.78Å; L376-Y380 HydrophobicContact CB-CE2 4.26Å; L376-Y380 HydrophobicContact CB-CG 3.86Å; L376-Y380 HydrophobicContact CD1-CD1 3.83Å; L376-Y380 HydrophobicContact CD1-CD2 4.03Å; L376-Y380 HydrophobicContact CD1-CE1 3.56Å; L376-Y380 HydrophobicContact CD1-CE2 3.77Å; L376-Y380 HydrophobicContact CD1-CG 4.06Å; S377-Y380 WeakPolarHBondContact O-CB 3.44Å; S377-Y380 PolarHBondContact O-N 3.39Å; S377-Y380 VanDerWaalsContact O-N 3.13Å; S377-Y380 VanDerWaalsContact OG-CA 3.32Å; S377-Y380 WeakPolarHBondContact OG-CA 3.49Å; S377-Y380 WeakPolarHBondContact OG-CB 3.27Å; S377-Y380 PolarHBondContact OG-N 3Å; Y380-V384 HydrophobicContact CD2-CB 3.9Å; Y380-V384 HydrophobicContact CD2-CG1 4.3Å; Y380-V384 HydrophobicContact CD2-CG2 4.09Å; Y380-V384 HydrophobicContact CE2-CB 3.75Å; Y380-V384 HydrophobicContact CE2-CG1 3.63Å; Y380-V384 HydrophobicContact CE2-CG2 4.2Å; Y380-V384 HydrophobicContact CG-CB 4.43Å; Y380-V384 WeakPolarHBondContact O-CA 3.4Å; Y380-V384 WeakPolarHBondContact O-CB 3.27Å; Y380-V384 PolarHBondContact O-N 3.33Å; Y380-Y385 HydrophobicContact CE1-CD2 4.41Å; Y380-Y385 PolarHBondContact O-N 3.04Å
381L95.8Very high94.1Very high22 Ų2247.4 Ų47.412%0.11524%0.243CC..Iπ-helixtrans-57.5-51.3178.8179.566.9000111.5T228 L232 L275 I370 L373 D379 Y385 L386T228-L381 HydrophobicContact CG2-CD2 3.62Å; L232-L381 HydrophobicContact CD2-CD2 4.01Å; L232-L381 HydrophobicContact CD2-CG 4.17Å; L232-L381 HydrophobicContact CG-CD2 4.31Å; L275-L381 HydrophobicContact CD2-CD1 4.22Å; L275-L381 HydrophobicContact CD2-CD2 4.38Å; I370-L381 HydrophobicContact CG2-CD1 3.98Å; I370-L381 HydrophobicContact CG2-CD2 3.71Å; I370-L381 HydrophobicContact CG2-CG 4.48Å; L373-L381 HydrophobicContact CD1-CD1 4.03Å; D379-L381 PolarHBondContact O-N 3.38Å; L381-Y385 HydrophobicContact CD1-CD1 3.8Å; L381-Y385 HydrophobicContact CD1-CE1 4.5Å; L381-Y385 HydrophobicContact CD1-CG 4.46Å; L381-L386 HydrophobicContact CD1-CD1 4.15Å; L381-L386 HydrophobicContact CD1-CD2 4.36Å; L381-L386 HydrophobicContact CD1-CG 3.96Å; L381-L386 HydrophobicContact CG-CD1 4.03Å; L381-L386 HydrophobicContact CG-CG 4.29Å; L381-L386 WeakPolarHBondContact O-CB 3.47Å; L381-L386 VanDerWaalsContact O-CG 3.31Å; L381-L386 WeakPolarHBondContact O-CG 3.38Å; L381-L386 PolarHBondContact O-N 3.29Å
382S94.9Very high94.1Very high3 Ų351.6 Ų51.62%0.02126%0.26CS..Iπ-helixtrans-80.7-36-173.162.40000112.9D235 D379 P387D235-S382 WeakPolarHBondContact CB-OG 3.46Å; D235-S382 VanDerWaalsContact OD2-CB 3.28Å; D235-S382 WeakPolarHBondContact OD2-CB 3.46Å; D235-S382 PolarHBondContact OD2-OG 3.19Å; D379-S382 PolarHBondContact O-N 2.85Å; D379-S382 PolarHBondContact O-OG 3.22Å; D379-S382 VanDerWaalsContact O-OG 3.12Å; S382-P387 VanDerWaalsContact O-CD 3.3Å; S382-P387 WeakPolarHBondContact O-CD 3.49Å; S382-P387 VanDerWaalsContact O-CG 3.23Å; S382-P387 WeakPolarHBondContact O-CG 3.47Å
383R94.4Very high94.1Very high159 Ų15952.5 Ų52.560%0.627%0.271SS*.Iπ-helixtrans-88.2-30.8-176.3-68.6-161.5-175.1-141.35.3114.8D379D379-R383 HydrophobicContact CB-CG 4.18Å; D379-R383 WeakPolarHBondContact O-CB 3.46Å; D379-R383 PolarHBondContact O-N 3.32Å; D379-R383 WeakPolarHBondContact OD2-CD 3.42Å; D379-R383 IonicContact OD2-CZ 3.41Å; D379-R383 IonicContact OD2-NE 2.8Å; D379-R383 PolarHBondContact OD2-NE 3.36Å; D379-R383 IonicContact OD2-NH2 3.7Å
384V95.4Very high94.1Very high50 Ų5053.7 Ų53.730%0.30328%0.284SS..Iπ-helixtrans-123.7-57.7-168.7-174.60000111.2Y380 N388Y380-V384 HydrophobicContact CD2-CB 3.9Å; Y380-V384 HydrophobicContact CD2-CG1 4.3Å; Y380-V384 HydrophobicContact CD2-CG2 4.09Å; Y380-V384 HydrophobicContact CE2-CB 3.75Å; Y380-V384 HydrophobicContact CE2-CG1 3.63Å; Y380-V384 HydrophobicContact CE2-CG2 4.2Å; Y380-V384 HydrophobicContact CG-CB 4.43Å; Y380-V384 WeakPolarHBondContact O-CA 3.4Å; Y380-V384 WeakPolarHBondContact O-CB 3.27Å; Y380-V384 PolarHBondContact O-N 3.33Å; V384-N388 WeakPolarHBondContact CG1-ND2 3.19Å; V384-N388 WeakPolarHBondContact O-CB 3.32Å; V384-N388 VanDerWaalsContact O-CG 3.23Å; V384-N388 PolarHBondContact O-N 2.76Å; V384-N388 VanDerWaalsContact O-N 3.1Å; V384-N388 PolarHBondContact O-ND2 2.9Å; V384-N388 VanDerWaalsContact O-ND2 3.08Å
385Y97.1Very high94.4Very high4 Ų451 Ų512%0.01626%0.264CS..Iπ-helixtrans-62.7-57.8-171.2-177.5-96.9000112.4L275 G312 L313 D317 L321 L373 Y380 L381 K389L275-Y385 HydrophobicContact CD1-CE1 4.31Å; G312-Y385 VanDerWaalsContact CA-OH 3.23Å; G312-Y385 WeakPolarHBondContact CA-OH 3.28Å; L313-Y385 HydrophobicContact CD1-CE2 4.24Å; D317-Y385 HydrophobicContact CB-CE2 4.26Å; D317-Y385 PolarHBondContact OD2-OH 3.16Å; L321-Y385 HydrophobicContact CD1-CD2 4.01Å; L321-Y385 HydrophobicContact CD1-CE2 4.1Å; L373-Y385 HydrophobicContact CD1-CD1 4.18Å; L373-Y385 HydrophobicContact CD1-CD2 4.01Å; L373-Y385 HydrophobicContact CD1-CE2 4.37Å; L373-Y385 HydrophobicContact CD1-CG 3.91Å; Y380-Y385 HydrophobicContact CE1-CD2 4.41Å; Y380-Y385 PolarHBondContact O-N 3.04Å; L381-Y385 HydrophobicContact CD1-CD1 3.8Å; L381-Y385 HydrophobicContact CD1-CE1 4.5Å; L381-Y385 HydrophobicContact CD1-CG 4.46Å; Y385-K389 HydrophobicContact CD1-CG 4.44Å; Y385-K389 HydrophobicContact CE1-CG 4.23Å; Y385-K389 HydrophobicContact CE2-CG 4.39Å; Y385-K389 WeakPolarHBondContact O-CB 3.1Å; Y385-K389 WeakPolarHBondContact O-CG 3.42Å; Y385-K389 PolarHBondContact O-N 3.46Å; Y385-K389 VanDerWaalsContact OH-CE 3.31Å; Y385-K389 WeakPolarHBondContact OH-CE 3.29Å; Y385-K389 PolarHBondContact OH-NZ 3.23Å
386L97.2Very high94.6Very high0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-66.5-47.8-177.2-65.2172.8000112.8L221 L232 F237 L275 L311 L381 N388 K389 L390L221-L386 HydrophobicContact CD2-CD1 4.17Å; L232-L386 HydrophobicContact CD1-CD1 4.07Å; L232-L386 HydrophobicContact CD2-CD1 3.7Å; F237-L386 HydrophobicContact CD2-CD1 4.15Å; F237-L386 HydrophobicContact CE2-CB 3.7Å; F237-L386 HydrophobicContact CE2-CD1 3.51Å; F237-L386 HydrophobicContact CE2-CG 4.26Å; F237-L386 HydrophobicContact CZ-CB 4.21Å; F237-L386 HydrophobicContact CZ-CD1 3.89Å; L275-L386 HydrophobicContact CD1-CD2 4.13Å; L275-L386 HydrophobicContact CD2-CD1 4.31Å; L275-L386 HydrophobicContact CD2-CD2 4.09Å; L311-L386 HydrophobicContact CD2-CD2 3.61Å; L311-L386 HydrophobicContact CG-CD2 4.41Å; L381-L386 HydrophobicContact CD1-CD1 4.15Å; L381-L386 HydrophobicContact CD1-CD2 4.36Å; L381-L386 HydrophobicContact CD1-CG 3.96Å; L381-L386 HydrophobicContact CG-CD1 4.03Å; L381-L386 HydrophobicContact CG-CG 4.29Å; L381-L386 WeakPolarHBondContact O-CB 3.47Å; L381-L386 VanDerWaalsContact O-CG 3.31Å; L381-L386 WeakPolarHBondContact O-CG 3.38Å; L381-L386 PolarHBondContact O-N 3.29Å; L386-N388 PolarHBondContact O-N 2.87Å; L386-K389 PolarHBondContact O-N 2.84Å; L386-L390 WeakPolarHBondContact O-CB 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 3.14Å
387P96Very high94.8Very high19 Ų1945.1 Ų45.112%0.12324%0.238CC..Hα-helixtrans-58.4-43.3177.1-25.835.4000113.1F12 L241 S382 L390 K391F12-P387 HydrophobicContact CE2-CB 4.18Å; F12-P387 HydrophobicContact CZ-CB 4.48Å; L241-P387 HydrophobicContact CD1-CB 4.47Å; L241-P387 HydrophobicContact CD1-CG 4.08Å; L241-P387 HydrophobicContact CD2-CB 4.26Å; L241-P387 HydrophobicContact CD2-CG 4.2Å; S382-P387 VanDerWaalsContact O-CD 3.3Å; S382-P387 WeakPolarHBondContact O-CD 3.49Å; S382-P387 VanDerWaalsContact O-CG 3.23Å; S382-P387 WeakPolarHBondContact O-CG 3.47Å; P387-L390 PolarHBondContact O-N 3.09Å; P387-K391 WeakPolarHBondContact O-CB 3.43Å; P387-K391 PolarHBondContact O-N 2.73Å
388N95.3Very high94.9Very high76 Ų7645.2 Ų45.241%0.40624%0.236SC..Hα-helixtrans-67.3-43.5179.5-74.9-29.3000111.9V384 L386 L390 K391 F392V384-N388 WeakPolarHBondContact CG1-ND2 3.19Å; V384-N388 WeakPolarHBondContact O-CB 3.32Å; V384-N388 VanDerWaalsContact O-CG 3.23Å; V384-N388 PolarHBondContact O-N 2.76Å; V384-N388 VanDerWaalsContact O-N 3.1Å; V384-N388 PolarHBondContact O-ND2 2.9Å; V384-N388 VanDerWaalsContact O-ND2 3.08Å; L386-N388 PolarHBondContact O-N 2.87Å; N388-L390 VanDerWaalsContact C-N 3.32Å; N388-L390 PolarHBondContact O-N 2.65Å; N388-K391 PolarHBondContact O-N 3.11Å; N388-F392 HydrophobicContact CB-CD2 4.24Å; N388-F392 WeakPolarHBondContact O-CB 3.34Å; N388-F392 WeakPolarHBondContact O-CD2 3.35Å; N388-F392 PolarHBondContact O-N 3.21Å
389K96.3Very high95.2Very high13 Ų1343.4 Ų43.46%0.05722%0.218CC..Hα-helixtrans-58-45.3175.9-77.2-84.8-165.9150.40111.5L311 L314 D317 Y385 L386 G393 G394 W395L311-K389 HydrophobicContact CD1-CB 3.72Å; L311-K389 HydrophobicContact CG-CB 4.24Å; L311-K389 WeakPolarHBondContact O-CD 3.49Å; L311-K389 WeakPolarHBondContact O-CE 3.49Å; L311-K389 PolarHBondContact O-NZ 3.48Å; L314-K389 VanDerWaalsContact CD1-NZ 3.26Å; D317-K389 WeakPolarHBondContact OD1-CE 3.31Å; D317-K389 IonicContact OD1-NZ 2.87Å; D317-K389 PolarHBondContact OD1-NZ 3.33Å; D317-K389 WeakPolarHBondContact OD2-CE 3.3Å; D317-K389 IonicContact OD2-NZ 2.78Å; D317-K389 PolarHBondContact OD2-NZ 2.93Å; Y385-K389 HydrophobicContact CD1-CG 4.44Å; Y385-K389 HydrophobicContact CE1-CG 4.23Å; Y385-K389 HydrophobicContact CE2-CG 4.39Å; Y385-K389 WeakPolarHBondContact O-CB 3.1Å; Y385-K389 WeakPolarHBondContact O-CG 3.42Å; Y385-K389 PolarHBondContact O-N 3.46Å; Y385-K389 VanDerWaalsContact OH-CE 3.31Å; Y385-K389 WeakPolarHBondContact OH-CE 3.29Å; Y385-K389 PolarHBondContact OH-NZ 3.23Å; L386-K389 PolarHBondContact O-N 2.84Å; K389-G393 PolarHBondContact O-N 3.32Å; K389-G394 WeakPolarHBondContact CD-O 3.36Å; K389-G394 PolarHBondContact NZ-O 3.17Å; K389-G394 PolarHBondContact O-N 3.36Å; K389-W395 WeakPolarHBondContact O-CZ3 3.49Å
390L95.7Very high95.4Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-71.3-39.6-179.8-70.6168.1000112.7F12 L16 F219 L241 F273 L311 L386 P387 N388 W395F12-L390 HydrophobicContact CE1-CB 4.47Å; F12-L390 HydrophobicContact CZ-CB 4.05Å; L16-L390 HydrophobicContact CD2-CD2 4.17Å; F219-L390 HydrophobicContact CD2-CD1 4.42Å; F219-L390 HydrophobicContact CD2-CD2 4.37Å; F219-L390 HydrophobicContact CE1-CD1 4.23Å; F219-L390 HydrophobicContact CE2-CD1 3.76Å; F219-L390 HydrophobicContact CE2-CD2 4.49Å; F219-L390 HydrophobicContact CZ-CD1 3.65Å; L241-L390 HydrophobicContact CD1-CD1 3.84Å; F273-L390 HydrophobicContact CD2-CD2 3.96Å; F273-L390 HydrophobicContact CE2-CD2 4.02Å; F273-L390 HydrophobicContact CG-CD2 4.33Å; F273-L390 HydrophobicContact CZ-CD2 4.45Å; L311-L390 HydrophobicContact CD1-CD2 3.97Å; L311-L390 HydrophobicContact CD1-CG 4.28Å; L311-L390 HydrophobicContact CD2-CD2 4.14Å; L311-L390 HydrophobicContact CD2-CG 4.27Å; L386-L390 WeakPolarHBondContact O-CB 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 3.14Å; P387-L390 PolarHBondContact O-N 3.09Å; N388-L390 VanDerWaalsContact C-N 3.32Å; N388-L390 PolarHBondContact O-N 2.65Å; L390-W395 VanDerWaalsContact O-CZ3 3.3Å; L390-W395 WeakPolarHBondContact O-CZ3 3.39Å
391K93.8Very high95.4Very high88 Ų8843.9 Ų43.938%0.38322%0.223SC..Hα-helixtrans-69.3-37179.7-173.2174.3-178.7175.80112.8F12 V15 P387 N388F12-K391 HydrophobicContact CD2-CB 4.05Å; F12-K391 HydrophobicContact CD2-CD 4.12Å; F12-K391 HydrophobicContact CD2-CG 4.19Å; F12-K391 HydrophobicContact CE2-CB 3.84Å; F12-K391 HydrophobicContact CE2-CG 4.47Å; V15-K391 VanDerWaalsContact CG2-O 3.23Å; V15-K391 WeakPolarHBondContact CG2-O 3.26Å; P387-K391 WeakPolarHBondContact O-CB 3.43Å; P387-K391 PolarHBondContact O-N 2.73Å; N388-K391 PolarHBondContact O-N 3.11Å
392F94.4Very high95.3Very high142 Ų14245.4 Ų45.462%0.62323%0.23SC*.Hα-helixtrans-108.49.7-170.5-60.9-65.2000114.8N388N388-F392 HydrophobicContact CB-CD2 4.24Å; N388-F392 WeakPolarHBondContact O-CB 3.34Å; N388-F392 WeakPolarHBondContact O-CD2 3.35Å; N388-F392 PolarHBondContact O-N 3.21Å
393G93.8Very high95.4Very high30 Ų3048.4 Ų48.431%0.30925%0.245SC..THydrogen-bonded Turntrans75.927.7176.800000114.3K389 W395K389-G393 PolarHBondContact O-N 3.32Å; G393-W395 PolarHBondContact O-N 3.02Å
394G94.5Very high95.4Very high30 Ų3039.9 Ų39.931%0.30922%0.218SC..  trans-78.924.4-171.700000116K389K389-G394 WeakPolarHBondContact CD-O 3.36Å; K389-G394 PolarHBondContact NZ-O 3.17Å; K389-G394 PolarHBondContact O-N 3.36Å
395W96.1Very high95.4Very high29 Ų2939.1 Ų39.111%0.1121%0.211CC..  trans-110.3162.8-179.959.781.1000111.9V15 L16 H19 F273 R309 W310 L311 K389 L390 G393V15-W395 HydrophobicContact CB-CH2 4.45Å; V15-W395 HydrophobicContact CG1-CH2 3.66Å; V15-W395 HydrophobicContact CG1-CZ2 4.14Å; L16-W395 HydrophobicContact CD2-CH2 3.66Å; L16-W395 HydrophobicContact CD2-CZ2 4.34Å; L16-W395 HydrophobicContact CD2-CZ3 4.06Å; L16-W395 HydrophobicContact CG-CH2 4.39Å; H19-W395 HydrophobicContact CB-CZ2 4.1Å; F273-W395 HydrophobicContact CD1-CB 4.23Å; F273-W395 HydrophobicContact CD1-CD2 4.23Å; F273-W395 HydrophobicContact CD1-CG 4.07Å; F273-W395 HydrophobicContact CE1-CB 4.23Å; F273-W395 AromaticContact CE1-CD1 3.86Å; F273-W395 AromaticContact CE1-CD2 3.42Å; F273-W395 HydrophobicContact CE1-CD2 3.42Å; F273-W395 VanDerWaalsContact CE1-CD2 3.42Å; F273-W395 AromaticContact CE1-CE2 3.61Å; F273-W395 AromaticContact CE1-CE3 3.89Å; F273-W395 HydrophobicContact CE1-CE3 3.89Å; F273-W395 AromaticContact CE1-CG 3.58Å; F273-W395 HydrophobicContact CE1-CG 3.58Å; F273-W395 HydrophobicContact CE1-CZ2 4.19Å; F273-W395 HydrophobicContact CE1-CZ3 4.42Å; F273-W395 AromaticContact CE1-NE1 3.84Å; F273-W395 HydrophobicContact CZ-CD2 4.12Å; F273-W395 HydrophobicContact CZ-CE3 4.33Å; F273-W395 HydrophobicContact CZ-CH2 4.31Å; F273-W395 HydrophobicContact CZ-CZ2 4.13Å; F273-W395 HydrophobicContact CZ-CZ3 4.42Å; R309-W395 HydrophobicContact CB-CB 4.19Å; R309-W395 HydrophobicContact CB-CG 4.04Å; R309-W395 HydrophobicContact CG-CG 4.47Å; W310-W395 CarbonylContact O-C 3.5Å; W310-W395 VanDerWaalsContact O-CA 3.22Å; W310-W395 WeakPolarHBondContact O-CA 3.32Å; W310-W395 WeakPolarHBondContact O-CB 3.33Å; L311-W395 HydrophobicContact CD1-CB 4.01Å; L311-W395 HydrophobicContact CD1-CE3 4.13Å; K389-W395 WeakPolarHBondContact O-CZ3 3.49Å; L390-W395 VanDerWaalsContact O-CZ3 3.3Å; L390-W395 WeakPolarHBondContact O-CZ3 3.39Å; G393-W395 PolarHBondContact O-N 3.02Å
396I94.9Very high95.3Very high38 Ų3842.3 Ų42.320%0.19523%0.229CC..  trans-129.30-179.659.9176.3000114.4R309 W310 L314 F353 W354 E357R309-I396 CarbonylContact C-O 3.37Å; R309-I396 WeakPolarHBondContact CA-O 3.09Å; R309-I396 WeakPolarHBondContact CD-OXT 3.43Å; W310-I396 HydrophobicContact CB-CG1 3.87Å; W310-I396 HydrophobicContact CE3-CD1 3.87Å; W310-I396 HydrophobicContact CE3-CG1 4.29Å; W310-I396 HydrophobicContact CZ3-CD1 4.45Å; W310-I396 PolarHBondContact N-O 3.31Å; W310-I396 PolarHBondContact O-N 3.07Å; L314-I396 HydrophobicContact CD2-CD1 4.08Å; L314-I396 HydrophobicContact CD2-CG1 4.27Å; F353-I396 HydrophobicContact CB-CB 3.97Å; F353-I396 HydrophobicContact CB-CD1 4.12Å; F353-I396 HydrophobicContact CB-CG2 4Å; F353-I396 HydrophobicContact CG-CG2 4.41Å; W354-I396 PolarHBondContact NE1-O 2.79Å; E357-I396 HydrophobicContact CG-CD1 3.56Å

Retrieved 396 of 396 residues in 1263.6 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).