A0A087XL32_POEFO Loading...

[heparan sulfate]-glucosamine N-sulfotransferase

AlphaFold DB , UniProt , Accession A0A087XL32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 880 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1E50.3Low62.6Low246 Ų246143.5 Ų143.5100%1.1568%0.684SS**  0109.30-66.1171.6141.600109.7
2M47Very low63.8Low153 Ų153138.3 Ų138.375%0.75466%0.662SS**  trans-96.9109165.2-94.3177.666.700107V6M2-V6 HydrophobicContact CE-CG1 4.06Å
3T58.2Low64.7Low97 Ų97142.4 Ų142.460%0.59567%0.667SS**  trans-55.1138.3-172.832.90000112.5A5 V6T3-A5 PolarHBondContact O-N 3.28Å; T3-V6 PolarHBondContact O-N 2.93Å
4V62.4Low65.7Low124 Ų124143.9 Ų143.975%0.75266%0.663SS**Hα-helixtrans-45-30.8179.2174.20000113V6 R7 F8V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 PolarHBondContact O-N 3.37Å; V4-R7 PolarHBondContact O-N 3.07Å; V4-F8 PolarHBondContact O-N 3.38Å
5A58.8Low66.7Low67 Ų67140.9 Ų140.955%0.55465%0.654SS**Hα-helixtrans-58.8-34.7175.400000114.5T3 R9T3-A5 PolarHBondContact O-N 3.28Å; A5-R9 PolarHBondContact O-N 3.05Å; A5-R9 VanDerWaalsContact O-N 3.1Å
6V64.9Low67.6Low71 Ų71138.6 Ų138.643%0.4365%0.647SS.*Hα-helixtrans-75.7-38.2-179.6-178.20000111.1M2 T3 V4 R10M2-V6 HydrophobicContact CE-CG1 4.06Å; T3-V6 PolarHBondContact O-N 2.93Å; V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 PolarHBondContact O-N 3.37Å; V6-R10 PolarHBondContact O-N 2.85Å; V6-R10 VanDerWaalsContact O-N 3.16Å
7R63.9Low68.5Low186 Ų186137.6 Ų137.670%0.70265%0.647SS**Hα-helixtrans-64.5-43.8172.8-85.4-175.8178.4175.4-0.2110.9V4 R9 R10 H11V4-R7 PolarHBondContact O-N 3.07Å; R7-R9 PolarHBondContact O-N 3.12Å; R7-R10 PolarHBondContact O-N 3.1Å; R7-R10 VanDerWaalsContact O-N 3.15Å; R7-H11 PolarHBondContact O-CD2 2.96Å; R7-H11 PolarHBondContact O-N 3.11Å
8F70.6Confident69.4Low145 Ų145135.9 Ų135.964%0.63664%0.641SS**Hα-helixtrans-62.1-44.6179.2-161.6-97.1000112.4V4 R10 H11 L12V4-F8 PolarHBondContact O-N 3.38Å; F8-R10 VanDerWaalsContact C-N 3.29Å; F8-R10 PolarHBondContact O-N 3.24Å; F8-H11 PolarHBondContact O-N 3.41Å; F8-L12 WeakPolarHBondContact O-CB 3.46Å; F8-L12 PolarHBondContact O-N 2.98Å
9R67.9Low70Confident196 Ų196133.8 Ų133.874%0.7463%0.634SS**Hα-helixtrans-60.8-35.5173.6-88.5-174.7176.9-177.90.2113.2A5 R7 R13A5-R9 PolarHBondContact O-N 3.05Å; A5-R9 VanDerWaalsContact O-N 3.1Å; R7-R9 PolarHBondContact O-N 3.12Å; R9-R13 WeakPolarHBondContact O-CB 3.29Å; R9-R13 PolarHBondContact O-N 3.23Å
10R70.7Confident70.7Confident173 Ų173129.7 Ų129.765%0.65362%0.624SS**Hα-helixtrans-71.6-40178.8-130.5177.1-179.6-177.80.1111.8V6 R7 F8 R14V6-R10 PolarHBondContact O-N 2.85Å; V6-R10 VanDerWaalsContact O-N 3.16Å; R7-R10 PolarHBondContact O-N 3.1Å; R7-R10 VanDerWaalsContact O-N 3.15Å; F8-R10 VanDerWaalsContact C-N 3.29Å; F8-R10 PolarHBondContact O-N 3.24Å; R10-R14 WeakPolarHBondContact O-CG 3.29Å; R10-R14 PolarHBondContact O-N 3.12Å
11H74.3Confident71.3Confident120 Ų120126 Ų12656%0.55661%0.611SS**Hα-helixtrans-69-40.9174.4-74.2-68000112R7 F8 R14 L15R7-H11 PolarHBondContact O-CD2 2.96Å; R7-H11 PolarHBondContact O-N 3.11Å; F8-H11 PolarHBondContact O-N 3.41Å; H11-R14 PolarHBondContact O-N 3.21Å; H11-L15 WeakPolarHBondContact O-CB 3.47Å; H11-L15 PolarHBondContact O-N 3.42Å
12L76.2Confident72.9Confident82 Ų82118 Ų11843%0.42958%0.581SS.*Hα-helixtrans-64.1-41.9175.7-170.268.5000111.8F8 L15 L16F8-L12 WeakPolarHBondContact O-CB 3.46Å; F8-L12 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.4Å; L12-L16 HydrophobicContact CG-CD1 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.47Å
13R76.1Confident74.4Confident191 Ų191114.2 Ų114.272%0.72157%0.57SS**Hα-helixtrans-62.4-40.9172.8-89.7-175.1173.8-177.5-1.7112.6R9 L16 L17R9-R13 WeakPolarHBondContact O-CB 3.29Å; R9-R13 PolarHBondContact O-N 3.23Å; R13-L16 PolarHBondContact O-N 3.09Å; R13-L17 WeakPolarHBondContact O-CB 3.32Å; R13-L17 VanDerWaalsContact O-CG 3.28Å; R13-L17 WeakPolarHBondContact O-CG 3.34Å; R13-L17 PolarHBondContact O-N 2.84Å
14R78.7Confident75.7Confident163 Ų163114.9 Ų114.962%0.61557%0.569SS**Hα-helixtrans-65.2-40.3175.7-79-178.3176.6-174.2-1.7111.9R10 H11 L17 L18R10-R14 WeakPolarHBondContact O-CG 3.29Å; R10-R14 PolarHBondContact O-N 3.12Å; H11-R14 PolarHBondContact O-N 3.21Å; R14-L17 PolarHBondContact O-N 2.84Å; R14-L18 WeakPolarHBondContact O-CB 3.38Å; R14-L18 PolarHBondContact O-N 2.86Å
15L80.6Confident76.8Confident99 Ų99113.8 Ų113.852%0.51856%0.558SS.*Hα-helixtrans-65.2-43.8176.7-164.980.2000111.5H11 L12 L17 L18 L19H11-L15 WeakPolarHBondContact O-CB 3.47Å; H11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.4Å; L15-L17 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 2.58Å; L15-L19 HydrophobicContact CD2-CD1 4.49Å; L15-L19 HydrophobicContact CG-CD1 4.21Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 PolarHBondContact O-N 2.79Å
16L81.1Confident77.9Confident105 Ų105114.1 Ų114.155%0.5556%0.556SS.*Hα-helixtrans-63.9-39176.2-75.8168.1000112.2L12 R13 L19 A20L12-L16 HydrophobicContact CG-CD1 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.4Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.47Å; R13-L16 PolarHBondContact O-N 3.09Å; L16-L19 PolarHBondContact O-N 2.62Å; L16-A20 VanDerWaalsContact O-CB 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.21Å; L16-A20 PolarHBondContact O-N 2.9Å
17L83Confident78.8Confident122 Ų122116.6 Ų116.664%0.63957%0.566SS**Hα-helixtrans-67.6-38.2174.4-74.8167.1000112.2R13 R14 L15 S21R13-L17 WeakPolarHBondContact O-CB 3.32Å; R13-L17 VanDerWaalsContact O-CG 3.28Å; R13-L17 WeakPolarHBondContact O-CG 3.34Å; R13-L17 PolarHBondContact O-N 2.84Å; R14-L17 PolarHBondContact O-N 2.84Å; L15-L17 PolarHBondContact O-N 3.43Å; L17-S21 WeakPolarHBondContact O-CB 3.14Å; L17-S21 PolarHBondContact O-N 3.22Å; L17-S21 PolarHBondContact O-OG 2.76Å
18L84.8Confident79.6Confident106 Ų106113.1 Ų113.156%0.55556%0.561SS**Hα-helixtrans-65.7-41.8173.9-88.5157.6000112.1R14 L15 S21 C22R14-L18 WeakPolarHBondContact O-CB 3.38Å; R14-L18 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 2.58Å; L18-S21 VanDerWaalsContact CA-OG 3.3Å; L18-S21 WeakPolarHBondContact CA-OG 2.98Å; L18-S21 PolarHBondContact O-N 2.86Å; L18-S21 PolarHBondContact O-OG 3.28Å; L18-C22 WeakPolarHBondContact O-CB 3.33Å; L18-C22 PolarHBondContact O-N 2.83Å; L18-C22 PolarHBondContact O-SG 3.39Å
19L80.7Confident79.9Confident97 Ų97110.7 Ų110.751%0.50855%0.554SS.*Hα-helixtrans-64.4-45.5174.6-87155.2000111.6L15 L16 S21 C22 C23L15-L19 HydrophobicContact CD2-CD1 4.49Å; L15-L19 HydrophobicContact CG-CD1 4.21Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 PolarHBondContact O-N 2.79Å; L16-L19 PolarHBondContact O-N 2.62Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 3.33Å; L19-C22 PolarHBondContact O-N 3.06Å; L19-C23 WeakPolarHBondContact O-CB 3.29Å; L19-C23 PolarHBondContact O-N 3.35Å; L19-C23 PolarHBondContact O-SG 2.9Å; L19-C23 VanDerWaalsContact O-SG 3.41Å
20A83.8Confident80Confident51 Ų51104.3 Ų104.342%0.42154%0.54SS..Hα-helixtrans-62-41.2177.600000112L16 C23 L24L16-A20 VanDerWaalsContact O-CB 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.21Å; L16-A20 PolarHBondContact O-N 2.9Å; A20-C23 PolarHBondContact O-N 3.34Å; A20-L24 PolarHBondContact O-N 3Å
21S83.4Confident79.9Confident52 Ų5297.7 Ų97.736%0.36452%0.522SS..Hα-helixtrans-69.4-39.3176.643.40000112.7L17 L18 L19 C23 L24 I25L17-S21 WeakPolarHBondContact O-CB 3.14Å; L17-S21 PolarHBondContact O-N 3.22Å; L17-S21 PolarHBondContact O-OG 2.76Å; L18-S21 VanDerWaalsContact CA-OG 3.3Å; L18-S21 WeakPolarHBondContact CA-OG 2.98Å; L18-S21 PolarHBondContact O-N 2.86Å; L18-S21 PolarHBondContact O-OG 3.28Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 3.33Å; S21-C23 PolarHBondContact O-N 2.88Å; S21-L24 PolarHBondContact O-N 2.77Å; S21-I25 VanDerWaalsContact O-CG1 3.27Å; S21-I25 WeakPolarHBondContact O-CG1 3.5Å; S21-I25 PolarHBondContact O-N 3.26Å
22C82.9Confident80Confident77 Ų7799.5 Ų99.552%0.5253%0.525SS..Hα-helixtrans-63-40.2172.5-69.90000112.2L18 L19 I25 S26L18-C22 WeakPolarHBondContact O-CB 3.33Å; L18-C22 PolarHBondContact O-N 2.83Å; L18-C22 PolarHBondContact O-SG 3.39Å; L19-C22 PolarHBondContact O-N 3.06Å; C22-I25 PolarHBondContact O-N 3.45Å; C22-S26 WeakPolarHBondContact O-CB 3.48Å; C22-S26 PolarHBondContact O-N 3.39Å
23C79.9Confident79.3Confident75 Ų75101.5 Ų101.551%0.50753%0.53SS..Hα-helixtrans-64-41.5174.7-75.70000112.1L19 A20 S21 S26 L27L19-C23 WeakPolarHBondContact O-CB 3.29Å; L19-C23 PolarHBondContact O-N 3.35Å; L19-C23 PolarHBondContact O-SG 2.9Å; L19-C23 VanDerWaalsContact O-SG 3.41Å; A20-C23 PolarHBondContact O-N 3.34Å; S21-C23 PolarHBondContact O-N 2.88Å; C23-S26 PolarHBondContact O-N 2.93Å; C23-L27 WeakPolarHBondContact O-CB 3.27Å; C23-L27 WeakPolarHBondContact O-CG 3.5Å; C23-L27 PolarHBondContact O-N 3.44Å
24L84.9Confident78.3Confident111 Ų11197.9 Ų97.958%0.58153%0.525SS*.Hα-helixtrans-64.8-41.5176.3-114.2132.3000112.2A20 S21 L27 L28A20-L24 PolarHBondContact O-N 3Å; S21-L24 PolarHBondContact O-N 2.77Å; L24-L27 PolarHBondContact O-N 2.67Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 2.8Å
25I86.7Confident77Confident100 Ų10098 Ų9851%0.51353%0.53SS..Hα-helixtrans-65.5-40.8175.5-68.3165.9000110.7S21 C22 L28 L29S21-I25 VanDerWaalsContact O-CG1 3.27Å; S21-I25 WeakPolarHBondContact O-CG1 3.5Å; S21-I25 PolarHBondContact O-N 3.26Å; C22-I25 PolarHBondContact O-N 3.45Å; I25-L28 PolarHBondContact O-N 2.81Å; I25-L29 HydrophobicContact CG2-CD1 3.87Å; I25-L29 HydrophobicContact CG2-CG 4.45Å; I25-L29 WeakPolarHBondContact O-CB 3.43Å; I25-L29 WeakPolarHBondContact O-CG 3.48Å; I25-L29 PolarHBondContact O-N 3.28Å
26S81.4Confident75.2Confident75 Ų7596.1 Ų96.152%0.52453%0.525SS..Hα-helixtrans-63.7-42.3175.7-174.90000112C22 C23 L29 S30C22-S26 WeakPolarHBondContact O-CB 3.48Å; C22-S26 PolarHBondContact O-N 3.39Å; C23-S26 PolarHBondContact O-N 2.93Å; S26-L29 PolarHBondContact O-N 3.3Å; S26-S30 WeakPolarHBondContact O-CB 3.34Å; S26-S30 PolarHBondContact O-N 2.97Å
27L83.4Confident73.2Confident123 Ų12397.2 Ų97.264%0.64453%0.532SS*.Hα-helixtrans-64.6-40.2174.4-77.5164.9000112C23 L24 S30 A31C23-L27 WeakPolarHBondContact O-CB 3.27Å; C23-L27 WeakPolarHBondContact O-CG 3.5Å; C23-L27 PolarHBondContact O-N 3.44Å; L24-L27 PolarHBondContact O-N 2.67Å; L27-S30 PolarHBondContact O-N 3.25Å; L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 3.49Å
28L81.3Confident70.9Confident113 Ų11394.7 Ų94.759%0.59252%0.524SS*.Hα-helixtrans-68.5-39.8176.4-75.6167.5000112.4L24 I25 Y32L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 2.8Å; I25-L28 PolarHBondContact O-N 2.81Å; L28-Y32 VanDerWaalsContact O-CB 3.23Å; L28-Y32 WeakPolarHBondContact O-CB 3.05Å; L28-Y32 PolarHBondContact O-N 2.93Å
29L77.1Confident68.1Low93 Ų9394.3 Ų94.349%0.48753%0.53SS..Hα-helixtrans-67.1-42.1174.1-78.8166.3000111.3I25 S26 Y32 F33I25-L29 HydrophobicContact CG2-CD1 3.87Å; I25-L29 HydrophobicContact CG2-CG 4.45Å; I25-L29 WeakPolarHBondContact O-CB 3.43Å; I25-L29 WeakPolarHBondContact O-CG 3.48Å; I25-L29 PolarHBondContact O-N 3.28Å; S26-L29 PolarHBondContact O-N 3.3Å; L29-Y32 PolarHBondContact O-N 2.62Å; L29-F33 WeakPolarHBondContact O-CD2 3.03Å; L29-F33 PolarHBondContact O-N 2.9Å
30S68.4Low65.7Low62 Ų6294.9 Ų94.943%0.43454%0.54SS..Hα-helixtrans-64.4-44.2175.9-169.10000111.1S26 L27 F33 L34S26-S30 WeakPolarHBondContact O-CB 3.34Å; S26-S30 PolarHBondContact O-N 2.97Å; L27-S30 PolarHBondContact O-N 3.25Å; S30-F33 PolarHBondContact O-N 2.85Å; S30-L34 VanDerWaalsContact O-CB 3.27Å; S30-L34 WeakPolarHBondContact O-CB 3.22Å; S30-L34 WeakPolarHBondContact O-CD1 3.41Å; S30-L34 WeakPolarHBondContact O-CG 3.33Å; S30-L34 PolarHBondContact O-N 2.8Å
31A70.2Confident62.9Low34 Ų3497.1 Ų97.128%0.28155%0.552SS.*Hα-helixtrans-61.9-43.8172.500000111.4L27 F33 L34 F35L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 3.49Å; A31-F33 PolarHBondContact O-N 3.28Å; A31-L34 PolarHBondContact O-N 2.92Å; A31-F35 HydrophobicContact CB-CD2 4.33Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 WeakPolarHBondContact O-CD2 3.32Å; A31-F35 PolarHBondContact O-N 3.4Å
32Y75.3Confident60.1Low158 Ų158101.6 Ų101.662%0.6257%0.571SS**Hα-helixtrans-60.9-43.3175.9178.7-97.3000112L28 L29 S36L28-Y32 VanDerWaalsContact O-CB 3.23Å; L28-Y32 WeakPolarHBondContact O-CB 3.05Å; L28-Y32 PolarHBondContact O-N 2.93Å; L29-Y32 PolarHBondContact O-N 2.62Å; Y32-S36 WeakPolarHBondContact O-CB 3.48Å; Y32-S36 PolarHBondContact O-N 3.21Å; Y32-S36 PolarHBondContact O-OG 2.84Å
33F61.3Low57.3Low124 Ų124105.9 Ų105.954%0.54458%0.583SS.*Hα-helixtrans-69.7-32.8174.5-89.1-74.6000113L29 S30 A31 N37L29-F33 WeakPolarHBondContact O-CD2 3.03Å; L29-F33 PolarHBondContact O-N 2.9Å; S30-F33 PolarHBondContact O-N 2.85Å; A31-F33 PolarHBondContact O-N 3.28Å; F33-N37 VanDerWaalsContact O-CB 3.32Å; F33-N37 WeakPolarHBondContact O-CB 3.38Å; F33-N37 PolarHBondContact O-N 2.99Å
34L56.4Low54.9Low115 Ų115110.1 Ų110.160%0.60260%0.6SS**Hα-helixtrans-70.3-39.2174.7-82.8158.8000112.1S30 A31 S38S30-L34 VanDerWaalsContact O-CB 3.27Å; S30-L34 WeakPolarHBondContact O-CB 3.22Å; S30-L34 WeakPolarHBondContact O-CD1 3.41Å; S30-L34 WeakPolarHBondContact O-CG 3.33Å; S30-L34 PolarHBondContact O-N 2.8Å; A31-L34 PolarHBondContact O-N 2.92Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 3.44Å; L34-S38 PolarHBondContact O-OG 2.84Å
35F50Low52.2Low165 Ų165108.3 Ų108.372%0.72461%0.608SS**Hα-helixtrans-86.1-28.6-179-78.6-71.1000113.6A31 S38A31-F35 HydrophobicContact CB-CD2 4.33Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 WeakPolarHBondContact O-CD2 3.32Å; A31-F35 PolarHBondContact O-N 3.4Å; F35-S38 WeakPolarHBondContact CA-OG 3.23Å; F35-S38 PolarHBondContact O-OG 3.31Å
36S44.3Very low49.3Very low61 Ų61112.1 Ų112.143%0.42762%0.624SS.*Hα-helixtrans-78.6-25.8174.160.40000113.3Y32Y32-S36 WeakPolarHBondContact O-CB 3.48Å; Y32-S36 PolarHBondContact O-N 3.21Å; Y32-S36 PolarHBondContact O-OG 2.84Å
37N37.4Very low46.9Very low128 Ų128114.5 Ų114.568%0.68464%0.64SS**SBendtrans-92.7-0.3174.1-82.5-25.8000114.6F33 S39F33-N37 VanDerWaalsContact O-CB 3.32Å; F33-N37 WeakPolarHBondContact O-CB 3.38Å; F33-N37 PolarHBondContact O-N 2.99Å; N37-S39 VanDerWaalsContact C-N 3.34Å; N37-S39 PolarHBondContact O-N 2.02Å
38S34.7Very low44.5Very low68 Ų68113.9 Ų113.948%0.47664%0.641SS.*SBendtrans-97.461.1174.138.50000111.3L34 F35L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 3.44Å; L34-S38 PolarHBondContact O-OG 2.84Å; F35-S38 WeakPolarHBondContact CA-OG 3.23Å; F35-S38 PolarHBondContact O-OG 3.31Å
39S27.8Very low42.5Very low98 Ų98115.9 Ų115.969%0.68565%0.647SS**  trans-15981.3155.5-75.90000108.6N37 S41N37-S39 VanDerWaalsContact C-N 3.34Å; N37-S39 PolarHBondContact O-N 2.02Å; S39-S41 PolarHBondContact O-N 2.79Å
40P29.3Very low40.9Very low110 Ų110113.5 Ų113.571%0.71464%0.637SS**  trans-7189.3160.330.4-28.5000106.7I42P40-I42 HydrophobicContact CB-CG1 4.25Å; P40-I42 PolarHBondContact O-N 2.88Å
41S24.5Very low39.9Very low97 Ų97114.4 Ų114.468%0.67865%0.649SS**  trans-64.586.6154.1450000106.5S39 H43S39-S41 PolarHBondContact O-N 2.79Å; S41-H43 VanDerWaalsContact C-N 3.31Å; S41-H43 PolarHBondContact O-N 3.34Å
42I26.1Very low39.1Very low146 Ų146114.6 Ų114.675%0.74965%0.648SS**  trans-68.2100.1168.6-61.8177.4000105.2P40 L44P40-I42 HydrophobicContact CB-CG1 4.25Å; P40-I42 PolarHBondContact O-N 2.88Å; I42-L44 PolarHBondContact O-N 2.86Å
43H24Very low37.7Very low167 Ų167109.2 Ų109.277%0.77363%0.633SS**  trans-53.4111.9166.9-85.5-81000108.1S41 G45S41-H43 VanDerWaalsContact C-N 3.31Å; S41-H43 PolarHBondContact O-N 3.34Å; H43-G45 VanDerWaalsContact C-N 3.34Å; H43-G45 PolarHBondContact O-N 2.77Å
44L27.6Very low36.7Very low164 Ų164111.1 Ų111.186%0.85964%0.644SS**  trans-57.9102164.9-144.385.9000105.9I42 Q46I42-L44 PolarHBondContact O-N 2.86Å; L44-Q46 PolarHBondContact O-N 2.77Å
45G28.8Very low35.5Very low73 Ų73111.6 Ų111.675%0.75365%0.654SS**  trans-58.9108.4179.200000109.3H43H43-G45 VanDerWaalsContact C-N 3.34Å; H43-G45 PolarHBondContact O-N 2.77Å
46Q26.5Very low34.7Very low181 Ų181110.8 Ų110.885%0.84666%0.656SS**  trans-52138.3161.5-75.7174.2-30.400108.3L44 V48L44-Q46 PolarHBondContact O-N 2.77Å; Q46-V48 PolarHBondContact O-N 2.83Å
47S29.6Very low33.9Very low125 Ų125114 Ų11487%0.87468%0.678SS**  trans-60.796.617757.20000110.1
48V33.2Very low33.6Very low110 Ų110112.3 Ų112.367%0.66767%0.668SS**  trans-74.5133.9162.2-176.20000106.7Q46Q46-V48 PolarHBondContact O-N 2.83Å
49E39.8Very low33.2Very low154 Ų154113.9 Ų113.972%0.7268%0.679SS**  trans-43.4143.1172.3-76.4-174.5145.500111.3A51E49-A51 PolarHBondContact O-N 2.97Å
50P44.6Very low33.3Very low43 Ų43115 Ų11528%0.27968%0.683SS.*  trans-57.8134177.917.2-22.3000109.6C52 S53P50-C52 PolarHBondContact O-N 3.02Å; P50-S53 WeakPolarHBondContact CD-OG 3.44Å; P50-S53 WeakPolarHBondContact CG-OG 3.25Å; P50-S53 PolarHBondContact O-N 2.91Å; P50-S53 PolarHBondContact O-OG 2.62Å
51A47.5Very low33.4Very low81 Ų81118 Ų11867%0.66968%0.682SS**THydrogen-bonded Turntrans-57.4-13.9-179.300000113.5E49E49-A51 PolarHBondContact O-N 2.97Å
52C53.5Low33.6Very low38 Ų38124.1 Ų124.126%0.25769%0.69SS.*THydrogen-bonded Turntrans-100.81.6-179.7-55.90000114P50 Q54 C197P50-C52 PolarHBondContact O-N 3.02Å; C52-Q54 PolarHBondContact O-N 2.82Å; C52-C197 HydrophobicContact CB-CB 3.86Å; C52-C197 WeakPolarHBondContact CB-SG 3.23Å; C52-C197 WeakPolarHBondContact SG-CB 3.34Å; C52-C197 CovalentContact SG-SG 2.02Å; C52-C197 PolarHBondContact SG-SG 3.26Å
53S43.9Very low33.7Very low45 Ų45125.9 Ų125.932%0.31570%0.695SS.*  trans-89.675.317252.70000111P50P50-S53 WeakPolarHBondContact CD-OG 3.44Å; P50-S53 WeakPolarHBondContact CG-OG 3.25Å; P50-S53 PolarHBondContact O-N 2.91Å; P50-S53 PolarHBondContact O-OG 2.62Å
54Q41.6Very low34.1Very low165 Ų165125.1 Ų125.177%0.77170%0.696SS**  trans-105.8136.9148.7-77-160.9-16.100108.9C52 L56C52-Q54 PolarHBondContact O-N 2.82Å; Q54-L56 PolarHBondContact O-N 2.8Å; Q54-L56 VanDerWaalsContact O-N 3.12Å
55P31.8Very low34.2Very low125 Ų125122 Ų12281%0.81269%0.685SS**  trans-65.5115.7175.526.6-29.8000107.8S57P55-S57 PolarHBondContact O-N 2.9Å
56L32.1Very low34.3Very low148 Ų148129.6 Ų129.678%0.77569%0.693SS**  trans-53.9127.2154.3-77.2164.1000106.3Q54 M58Q54-L56 PolarHBondContact O-N 2.8Å; Q54-L56 VanDerWaalsContact O-N 3.12Å; L56-M58 WeakPolarHBondContact O-CG 3.28Å; L56-M58 PolarHBondContact O-N 3.1Å
57S28.6Very low35.3Very low127 Ų127125.7 Ų125.789%0.88868%0.683SS**  trans-49.4105171.7174.50000108.8P55P55-S57 PolarHBondContact O-N 2.9Å
58M30.3Very low35.7Very low94 Ų94129.5 Ų129.546%0.46368%0.68SS.*  trans-87.2106.9-178-84.1-64.3-30.500108.2L56 Y61L56-M58 WeakPolarHBondContact O-CG 3.28Å; L56-M58 PolarHBondContact O-N 3.1Å; M58-Y61 HydrophobicContact CE-CD1 3.96Å; M58-Y61 HydrophobicContact CE-CD2 2.9Å; M58-Y61 HydrophobicContact CE-CE1 4.14Å; M58-Y61 HydrophobicContact CE-CE2 3.16Å; M58-Y61 HydrophobicContact CE-CG 3.31Å; M58-Y61 HydrophobicContact CG-CD2 4.28Å; M58-Y61 HydrophobicContact CG-CE2 4.29Å; M58-Y61 HydrophobicContact SD-CD2 3.33Å; M58-Y61 WeakPolarHBondContact SD-CD2 3.4Å; M58-Y61 HydrophobicContact SD-CE2 2.98Å; M58-Y61 WeakPolarHBondContact SD-CE2 3.23Å; M58-Y61 HydrophobicContact SD-CG 4.29Å
59S25.7Very low35.7Very low101 Ų101129.2 Ų129.271%0.70668%0.68SS**  trans-57.4132.4149.8175.20000107.6Y61S59-Y61 PolarHBondContact O-N 3.23Å
60P29.6Very low35.5Very low120 Ų120127.7 Ų127.778%0.77968%0.684SS**  trans-51.3116.1-159.817.1-30.7000112.6R62P60-R62 PolarHBondContact O-N 3.34Å
61Y31.3Very low35.4Very low174 Ų174131.6 Ų131.668%0.68270%0.702SS**  trans-55.2110.9167.4-98.3-57.8000107.7M58 S59 Q63M58-Y61 HydrophobicContact CE-CD1 3.96Å; M58-Y61 HydrophobicContact CE-CD2 2.9Å; M58-Y61 HydrophobicContact CE-CE1 4.14Å; M58-Y61 HydrophobicContact CE-CE2 3.16Å; M58-Y61 HydrophobicContact CE-CG 3.31Å; M58-Y61 HydrophobicContact CG-CD2 4.28Å; M58-Y61 HydrophobicContact CG-CE2 4.29Å; M58-Y61 HydrophobicContact SD-CD2 3.33Å; M58-Y61 WeakPolarHBondContact SD-CD2 3.4Å; M58-Y61 HydrophobicContact SD-CE2 2.98Å; M58-Y61 WeakPolarHBondContact SD-CE2 3.23Å; M58-Y61 HydrophobicContact SD-CG 4.29Å; S59-Y61 PolarHBondContact O-N 3.23Å; Y61-Q63 PolarHBondContact O-N 2.68Å
62R29.1Very low34.9Very low225 Ų225133.2 Ų133.285%0.84971%0.706SS**  trans-57.4122.2144.5-90.7-176-178.6-177.30.7105.8P60 L64P60-R62 PolarHBondContact O-N 3.34Å; R62-L64 PolarHBondContact O-N 2.9Å
63Q28.6Very low34Very low184 Ų184136.6 Ų136.686%0.8673%0.727SS**  trans-41.8110.1151.5-73.7173.2-27.100106.7Y61 P65Y61-Q63 PolarHBondContact O-N 2.68Å; Q63-P65 WeakPolarHBondContact O-CD 3.42Å
64L31.7Very low33.9Very low150 Ų150142.1 Ų142.179%0.78575%0.748SS**PPolyproline II helixtrans-64.2117.2167.9-86.8164000105.4R62 Y66R62-L64 PolarHBondContact O-N 2.9Å; L64-Y66 PolarHBondContact O-N 3.07Å
65P29.7Very low33.9Very low99 Ų99140.1 Ų140.164%0.64375%0.747SS**PPolyproline II helixtrans-64.5124.5172.9-10.626.3000106.9Q63Q63-P65 WeakPolarHBondContact O-CD 3.42Å
66Y31Very low34.7Very low232 Ų232141.5 Ų141.591%0.9174%0.742SS**SBendtrans-59.8122.3132.6-95.4-91.8000104.8L64L64-Y66 PolarHBondContact O-N 3.07Å
67P48.3Very low36Very low99 Ų99137 Ų13764%0.64372%0.721SS**  cis-122151.929.936.9-21.7000113.9
68Y38Very low38.6Very low206 Ų206136.2 Ų136.281%0.80870%0.703SS**PPolyproline II helixtrans-59148.5154.6-79.7-79.5000109
69P32.8Very low41.4Very low103 Ų103132.2 Ų132.267%0.66968%0.684SS**PPolyproline II helixtrans-51.6149.5-166.818.3-32.5000113.2N71P69-N71 PolarHBondContact O-N 3.12Å
70P35.2Very low44.5Very low123 Ų123129.3 Ų129.380%0.79966%0.66SS**PPolyproline II helixtrans-53.5131.4169.823.4-30.7000108.8
71N43.1Very low47.6Very low125 Ų125126.5 Ų126.567%0.66864%0.642SS**  trans-41.8144.2-177.3-62.8-46.6000112.6P69P69-N71 PolarHBondContact O-N 3.12Å
72P35.9Very low50.7Low115 Ų115119.3 Ų119.375%0.74762%0.616SS**  trans-56.5133.7145.924.8-27.6000107.8H74P72-H74 PolarHBondContact O-N 3.45Å
73P36Very low54Low108 Ų108108.6 Ų108.670%0.70158%0.576SS**SBendtrans-64.9126.8-170.426.1-32.2000110.1
74H40.9Very low57.3Low161 Ų16199.8 Ų99.875%0.74554%0.535SS*.  trans74.490.2168.8-50.6-68.9000118.6P72P72-H74 PolarHBondContact O-N 3.45Å
75T42.2Very low60.4Low123 Ų12392.7 Ų92.776%0.75550%0.498SS*.  -150.7107.8114.934.10000107.6V77T75-V77 PolarHBondContact O-N 3.31Å
76H48.3Very low63.6Low154 Ų15488.1 Ų88.171%0.71347%0.468SS*.  trans-67.188.9167.6-74.6-84.9000108.3H78H76-H78 WeakPolarHBondContact CB-NE2 3.18Å; H76-H78 PolarHBondContact O-CD2 2.91Å; H76-H78 VanDerWaalsContact O-CD2 3.32Å; H76-H78 PolarHBondContact O-N 3.13Å
77V60.2Low66.7Low55 Ų5577.1 Ų77.133%0.33343%0.425SS..  trans-77.896.2178.2-170.50000108.2T75 Y160T75-V77 PolarHBondContact O-N 3.31Å; V77-Y160 HydrophobicContact CG1-CD1 3.08Å; V77-Y160 HydrophobicContact CG1-CD2 4.42Å; V77-Y160 HydrophobicContact CG1-CE1 3.51Å; V77-Y160 HydrophobicContact CG1-CG 3.59Å
78H82Confident68.7Low109 Ų10977.1 Ų77.151%0.50542%0.416SS..  trans-87.9126.3-178.5-73.6-73000110.6H76 R128 G129H76-H78 WeakPolarHBondContact CB-NE2 3.18Å; H76-H78 PolarHBondContact O-CD2 2.91Å; H76-H78 VanDerWaalsContact O-CD2 3.32Å; H76-H78 PolarHBondContact O-N 3.13Å; H78-R128 HydrophobicContact CB-CG 4.21Å; H78-R128 VanDerWaalsContact O-CG 3.28Å; H78-R128 WeakPolarHBondContact O-CG 3.23Å; H78-G129 PolarHBondContact O-N 2.83Å
79T89.4Confident71.3Confident11 Ų1169.5 Ų69.57%0.06739%0.393CS..BIsolated β-bridgetrans-106.4144.8165.659.90000109.7G129 Y160 V162 K303T79-G129 CarbonylContact C-O 3.53Å; T79-G129 WeakPolarHBondContact CA-O 3.3Å; T79-Y160 HydrophobicContact CG2-CD1 4.21Å; T79-V162 HydrophobicContact CG2-CG2 3.91Å; T79-K303 PolarHBondContact OG1-NZ 3.29Å
80D91.4Very high73.9Confident39 Ų3969.9 Ų69.921%0.20939%0.386CS..  trans-67.8144.8165.2-63.2-37.4000110.9V82 R128 G129 R130 S132D80-V82 HydrophobicContact CB-CB 4.45Å; D80-V82 HydrophobicContact CB-CG2 3.88Å; D80-V82 PolarHBondContact O-N 3.08Å; D80-R128 IonicContact OD1-CZ 2.87Å; D80-R128 IonicContact OD1-NE 3.84Å; D80-R128 PolarHBondContact OD1-NE 2.94Å; D80-R128 IonicContact OD1-NH2 3.24Å; D80-R128 PolarHBondContact OD1-NH2 2.84Å; D80-G129 PolarHBondContact N-O 2.89Å; D80-R130 WeakPolarHBondContact CB-O 3.35Å; D80-S132 VanDerWaalsContact O-CB 3.27Å; D80-S132 WeakPolarHBondContact O-CB 3.35Å; D80-S132 PolarHBondContact O-N 3.04Å; D80-S132 VanDerWaalsContact O-N 3.16Å; D80-S132 PolarHBondContact O-OG 3.1Å
81P94.4Very high76.7Confident61 Ų6173 Ų7340%0.39638%0.383SS..SBendtrans-75.554.2175.834.7-36.7000110.8L304P81-L304 HydrophobicContact CB-CD2 3.94Å
82V96.6Very high79.1Confident23 Ų2368 Ų6814%0.13936%0.358CS..EExtended strand (participates in β ladder)trans-120.4139.1-178.6-175.60000108.9D80 Q108 Y131 S132D80-V82 HydrophobicContact CB-CB 4.45Å; D80-V82 HydrophobicContact CB-CG2 3.88Å; D80-V82 PolarHBondContact O-N 3.08Å; V82-Q108 CarbonylContact C-O 3.59Å; V82-Q108 WeakPolarHBondContact CA-O 3.34Å; V82-Q108 HydrophobicContact CG1-CB 4.48Å; V82-Q108 HydrophobicContact CG2-CB 4.01Å; V82-Y131 HydrophobicContact CB-CD1 4.2Å; V82-Y131 HydrophobicContact CG1-CD1 3.9Å; V82-Y131 HydrophobicContact CG1-CE1 4.16Å; V82-Y131 CarbonylContact O-C 3.57Å; V82-Y131 VanDerWaalsContact O-CA 3.29Å; V82-Y131 WeakPolarHBondContact O-CA 3.15Å; V82-S132 PolarHBondContact O-N 3.33Å; V82-S132 PolarHBondContact O-OG 3.24Å
83V98.3Very high81.9Confident0 Ų069 Ų690%035%0.352CS..EExtended strand (participates in β ladder)trans-97.1127.1175.1-174.80000109.8V85 L102 Q108 F109 R110 L133 I135 L304V83-V85 HydrophobicContact CG1-CG2 3.97Å; V83-L102 HydrophobicContact CB-CD1 4.25Å; V83-L102 HydrophobicContact CG1-CD1 4.12Å; V83-L102 HydrophobicContact CG2-CD2 4.14Å; V83-Q108 PolarHBondContact N-O 2.75Å; V83-F109 HydrophobicContact CB-CB 4.12Å; V83-F109 CarbonylContact O-C 3.39Å; V83-F109 WeakPolarHBondContact O-CA 3.19Å; V83-F109 WeakPolarHBondContact O-CB 3.33Å; V83-R110 PolarHBondContact O-N 3Å; V83-L133 HydrophobicContact CG1-CB 4.28Å; V83-L133 HydrophobicContact CG1-CD2 4.19Å; V83-L133 HydrophobicContact CG1-CG 4.31Å; V83-L133 HydrophobicContact CG2-CB 4.3Å; V83-L133 HydrophobicContact CG2-CD2 4.31Å; V83-I135 HydrophobicContact CG1-CD1 3.66Å; V83-I135 HydrophobicContact CG1-CG1 3.69Å; V83-L304 HydrophobicContact CG2-CD1 3.38Å
84L97.9Very high84.8Confident0 Ų065.1 Ų65.10%033%0.326CS..EExtended strand (participates in β ladder)trans-88.5117.9168.1178.862000109.2L86 E112 P121 L123 Y131 L133 I134 I135L84-L86 HydrophobicContact CD2-CD1 4.32Å; L84-L86 HydrophobicContact CD2-CG 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.45Å; L84-L86 HydrophobicContact CG-CG 4.18Å; L84-E112 HydrophobicContact CD1-CB 4.37Å; L84-E112 HydrophobicContact CD1-CG 4.03Å; L84-P121 HydrophobicContact CD1-CG 3.94Å; L84-P121 HydrophobicContact CD2-CG 3.98Å; L84-L123 HydrophobicContact CD2-CD2 4.06Å; L84-Y131 HydrophobicContact CB-CD1 3.72Å; L84-Y131 HydrophobicContact CB-CD2 4.09Å; L84-Y131 HydrophobicContact CB-CE1 4.12Å; L84-Y131 HydrophobicContact CB-CE2 4.45Å; L84-Y131 HydrophobicContact CB-CG 3.72Å; L84-Y131 HydrophobicContact CD1-CE1 4.24Å; L84-Y131 HydrophobicContact CD1-CE2 4.47Å; L84-Y131 HydrophobicContact CD2-CD2 4.12Å; L84-Y131 HydrophobicContact CD2-CE2 4.12Å; L84-L133 PolarHBondContact N-O 2.88Å; L84-I134 HydrophobicContact CB-CG1 4.3Å; L84-I134 HydrophobicContact CD2-CG1 4.45Å; L84-I134 HydrophobicContact CD2-CG2 4.42Å; L84-I134 CarbonylContact O-C 3.55Å; L84-I134 WeakPolarHBondContact O-CA 3.29Å; L84-I135 PolarHBondContact O-N 3.38Å
85V97.8Very high87.4Confident0 Ų057.4 Ų57.40%029%0.29CS..EExtended strand (participates in β ladder)trans-107.6115.3179-170.90000109.1V83 V87 I98 L102 F109 R110 M111 E112V83-V85 HydrophobicContact CG1-CG2 3.97Å; V85-V87 HydrophobicContact CG1-CG1 3.92Å; V85-I98 HydrophobicContact CG1-CG2 4.07Å; V85-I98 HydrophobicContact CG2-CG2 4.37Å; V85-L102 HydrophobicContact CG2-CD1 3.66Å; V85-F109 HydrophobicContact CG2-CB 4.35Å; V85-R110 PolarHBondContact N-O 2.93Å; V85-M111 CarbonylContact O-C 3.53Å; V85-M111 WeakPolarHBondContact O-CA 3.41Å; V85-E112 PolarHBondContact O-N 2.87Å
86L96.1Very high90Very high4 Ų454.8 Ų54.82%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-102.2109.9-177.6-71.5169000109.6L84 E112 A114 L120 I134 I135 Y136 E137L84-L86 HydrophobicContact CD2-CD1 4.32Å; L84-L86 HydrophobicContact CD2-CG 4.4Å; L84-L86 HydrophobicContact CG-CD2 4.45Å; L84-L86 HydrophobicContact CG-CG 4.18Å; L86-E112 WeakPolarHBondContact CA-O 3.4Å; L86-E112 HydrophobicContact CD2-CB 3.97Å; L86-A114 HydrophobicContact CB-CB 4.11Å; L86-L120 HydrophobicContact CD1-CD2 4.34Å; L86-I134 HydrophobicContact CD1-CG2 3.85Å; L86-I135 PolarHBondContact N-O 3.45Å; L86-Y136 HydrophobicContact CB-CD1 3.98Å; L86-Y136 HydrophobicContact CB-CE1 4.1Å; L86-Y136 HydrophobicContact CB-CG 4.4Å; L86-Y136 HydrophobicContact CD1-CD1 4.08Å; L86-Y136 HydrophobicContact CD1-CD2 4.31Å; L86-Y136 HydrophobicContact CD1-CE1 3.43Å; L86-Y136 VanDerWaalsContact CD1-CE1 3.43Å; L86-Y136 HydrophobicContact CD1-CE2 3.71Å; L86-Y136 HydrophobicContact CD1-CG 4.48Å; L86-Y136 VanDerWaalsContact CD1-OH 3.31Å; L86-Y136 WeakPolarHBondContact CD1-OH 3.36Å; L86-Y136 HydrophobicContact CG-CE1 4.4Å; L86-E137 PolarHBondContact O-N 3.46Å
87V95.3Very high92.3Very high0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-112.5155.9-173.3-59.10000111.7V85 S89 M111 E112 I113 A114 E137V85-V87 HydrophobicContact CG1-CG1 3.92Å; V87-S89 VanDerWaalsContact CG2-O 3.24Å; V87-S89 WeakPolarHBondContact CG2-O 3.36Å; V87-M111 HydrophobicContact CG1-CG 3.95Å; V87-M111 HydrophobicContact CG1-SD 4.24Å; V87-M111 HydrophobicContact CG2-CG 3.7Å; V87-M111 HydrophobicContact CG2-SD 3.87Å; V87-E112 WeakPolarHBondContact CG2-O 3.35Å; V87-E112 PolarHBondContact N-O 3.44Å; V87-I113 HydrophobicContact CG2-CG1 4.45Å; V87-I113 CarbonylContact O-C 3.33Å; V87-I113 VanDerWaalsContact O-CA 3.27Å; V87-I113 WeakPolarHBondContact O-CA 3.37Å; V87-A114 PolarHBondContact O-N 3.01Å; V87-E137 VanDerWaalsContact CA-CD 3.42Å; V87-E137 WeakPolarHBondContact CA-OE2 3.42Å; V87-E137 HydrophobicContact CB-CG 4.44Å; V87-E137 VanDerWaalsContact CB-OE2 3.27Å; V87-E137 WeakPolarHBondContact CB-OE2 3.26Å; V87-E137 VanDerWaalsContact CG1-OE2 3.31Å; V87-E137 WeakPolarHBondContact CG1-OE2 3.41Å
88E91.2Very high94.1Very high99 Ų9946.4 Ų46.446%0.46323%0.228SC..SBendtrans-76.8-31.6174.3-62.4-169.6129.700111.7E137 N138E88-E137 WeakPolarHBondContact CA-OE1 3.42Å; E88-E137 WeakPolarHBondContact CB-OE1 3.24Å; E88-E137 HydrophobicContact CG-CG 4.15Å; E88-E137 VanDerWaalsContact CG-OE1 3.25Å; E88-E137 WeakPolarHBondContact CG-OE1 3.17Å; E88-E137 PolarHBondContact N-OE1 3Å; E88-N138 HydrophobicContact CG-CB 4.16Å; E88-N138 PolarHBondContact OE1-ND2 2.93Å
89S91.9Very high94.8Very high47 Ų4741.4 Ų41.433%0.32921%0.205SC..SBendtrans-150.3160.7172.276.20000110.5V87 Y91 S92V87-S89 VanDerWaalsContact CG2-O 3.24Å; V87-S89 WeakPolarHBondContact CG2-O 3.36Å; S89-Y91 PolarHBondContact O-N 3.49Å; S89-Y91 PolarHBondContact OG-N 3.3Å; S89-S92 PolarHBondContact O-N 3.48Å; S89-S92 PolarHBondContact O-OG 2.92Å; S89-S92 PolarHBondContact OG-N 3.06Å
90Q88.9Confident95.1Very high111 Ų11142 Ų4252%0.51921%0.211SC..THydrogen-bonded Turntrans-62.5-13.5175.3-71.6177.5-3.500113.6Q96 I113Q90-Q96 PolarHBondContact O-NE2 3.16Å; Q90-I113 HydrophobicContact CG-CD1 4.18Å; Q90-I113 HydrophobicContact CG-CG1 4.38Å
91Y92.1Very high95.4Very high189 Ų18940.6 Ų40.674%0.74120%0.203SC*.THydrogen-bonded Turntrans-118.311.4-174.1-50.8-70.2000112.9S89 Q93S89-Y91 PolarHBondContact O-N 3.49Å; S89-Y91 PolarHBondContact OG-N 3.3Å; Y91-Q93 PolarHBondContact O-N 3.41Å
92S94.5Very high95.5Very high19 Ų1937.7 Ų37.713%0.13318%0.184CC..  trans-61.5131.8177.3600000110.1S89 L94 G95 Q96 E137S89-S92 PolarHBondContact O-N 3.48Å; S89-S92 PolarHBondContact O-OG 2.92Å; S89-S92 PolarHBondContact OG-N 3.06Å; S92-L94 VanDerWaalsContact C-N 3.3Å; S92-L94 PolarHBondContact O-N 3.26Å; S92-G95 PolarHBondContact O-N 3.47Å; S92-G95 WeakPolarHBondContact OG-CA 3.45Å; S92-G95 PolarHBondContact OG-N 2.98Å; S92-Q96 WeakPolarHBondContact O-CB 3.35Å; S92-Q96 VanDerWaalsContact O-CG 3.31Å; S92-Q96 WeakPolarHBondContact O-CG 3.37Å; S92-Q96 PolarHBondContact O-N 3.44Å; S92-E137 VanDerWaalsContact CB-OE1 3.24Å; S92-E137 WeakPolarHBondContact CB-OE1 3.12Å; S92-E137 WeakPolarHBondContact CB-OE2 3.31Å; S92-E137 VanDerWaalsContact OG-CD 3.28Å; S92-E137 PolarHBondContact OG-OE1 3.01Å; S92-E137 PolarHBondContact OG-OE2 2.87Å
93Q95.3Very high95.5Very high135 Ų13538.3 Ų38.363%0.63119%0.186SC*.Hα-helixtrans-58.4-43.6-178.3-17761.550.700111.7Y91 Q96 D97Y91-Q93 PolarHBondContact O-N 3.41Å; Q93-Q96 PolarHBondContact O-N 2.93Å; Q93-D97 PolarHBondContact NE2-OD1 3.19Å; Q93-D97 WeakPolarHBondContact O-CB 3.47Å; Q93-D97 PolarHBondContact O-N 2.82Å
94L96.1Very high95.3Very high27 Ų2739.1 Ų39.114%0.14119%0.192CC..Hα-helixtrans-66.4-42.9179.4179.858.3000112.1S92 Q96 D97 I98 E137 F167 L283S92-L94 VanDerWaalsContact C-N 3.3Å; S92-L94 PolarHBondContact O-N 3.26Å; L94-Q96 VanDerWaalsContact C-N 3.31Å; L94-Q96 PolarHBondContact O-N 3.26Å; L94-D97 PolarHBondContact O-N 2.99Å; L94-I98 HydrophobicContact CD1-CD1 4.19Å; L94-I98 HydrophobicContact CD1-CG1 4.3Å; L94-I98 HydrophobicContact CG-CD1 3.98Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.33Å; L94-I98 PolarHBondContact O-N 3.01Å; L94-E137 HydrophobicContact CD2-CB 4.19Å; L94-E137 WeakPolarHBondContact CD2-O 3.36Å; L94-E137 HydrophobicContact CG-CB 4.34Å; L94-F167 HydrophobicContact CD1-CD1 4.27Å; L94-F167 HydrophobicContact CD1-CE1 4.43Å; L94-F167 HydrophobicContact CD2-CB 3.67Å; L94-F167 HydrophobicContact CD2-CD1 4.2Å; L94-F167 HydrophobicContact CD2-CD2 4.46Å; L94-F167 HydrophobicContact CD2-CG 3.88Å; L94-L283 HydrophobicContact CD1-CB 4.14Å; L94-L283 HydrophobicContact CD1-CD1 4.08Å; L94-L283 HydrophobicContact CD1-CG 3.74Å
95G96.7Very high95.1Very high0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-59.5-42.517500000112S92 I98 V99 E137S92-G95 PolarHBondContact O-N 3.47Å; S92-G95 WeakPolarHBondContact OG-CA 3.45Å; S92-G95 PolarHBondContact OG-N 2.98Å; G95-I98 PolarHBondContact O-N 3.38Å; G95-V99 WeakPolarHBondContact O-CB 3.39Å; G95-V99 PolarHBondContact O-N 3.3Å; G95-E137 WeakPolarHBondContact CA-OE2 3.48Å; G95-E137 PolarHBondContact N-OE2 3.24Å
96Q96.3Very high94.9Very high68 Ų6843.5 Ų43.532%0.31821%0.213SC..Hα-helixtrans-66.6-39.1175.1-67.8-61.8-36.500112.6Q90 S92 Q93 L94 V99 A100Q90-Q96 PolarHBondContact O-NE2 3.16Å; S92-Q96 WeakPolarHBondContact O-CB 3.35Å; S92-Q96 VanDerWaalsContact O-CG 3.31Å; S92-Q96 WeakPolarHBondContact O-CG 3.37Å; S92-Q96 PolarHBondContact O-N 3.44Å; Q93-Q96 PolarHBondContact O-N 2.93Å; L94-Q96 VanDerWaalsContact C-N 3.31Å; L94-Q96 PolarHBondContact O-N 3.26Å; Q96-V99 PolarHBondContact O-N 3.07Å; Q96-A100 WeakPolarHBondContact O-CB 3.3Å; Q96-A100 PolarHBondContact O-N 3.22Å
97D96.3Very high94.8Very high32 Ų3244.4 Ų44.417%0.17122%0.217CC..Hα-helixtrans-64.8-41.8175.5-71.2-19.6000111.7Q93 L94 A100 I101 L283Q93-D97 PolarHBondContact NE2-OD1 3.19Å; Q93-D97 WeakPolarHBondContact O-CB 3.47Å; Q93-D97 PolarHBondContact O-N 2.82Å; L94-D97 PolarHBondContact O-N 2.99Å; D97-A100 PolarHBondContact O-N 3.05Å; D97-I101 PolarHBondContact O-N 2.92Å; D97-L283 HydrophobicContact CB-CB 4.16Å; D97-L283 HydrophobicContact CB-CD1 3.87Å
98I97.9Very high94.9Very high1 Ų150.5 Ų50.51%0.00525%0.245CC..Hα-helixtrans-60.9-49.5175-69.3161.7000109.6V85 L94 G95 A100 I101 L102 I135 E137 F167 L283V85-I98 HydrophobicContact CG1-CG2 4.07Å; V85-I98 HydrophobicContact CG2-CG2 4.37Å; L94-I98 HydrophobicContact CD1-CD1 4.19Å; L94-I98 HydrophobicContact CD1-CG1 4.3Å; L94-I98 HydrophobicContact CG-CD1 3.98Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.33Å; L94-I98 PolarHBondContact O-N 3.01Å; G95-I98 PolarHBondContact O-N 3.38Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 2.93Å; I98-I101 PolarHBondContact O-N 3.18Å; I98-L102 HydrophobicContact CG2-CD1 4.06Å; I98-L102 WeakPolarHBondContact O-CG 3.12Å; I98-L102 PolarHBondContact O-N 2.86Å; I98-I135 HydrophobicContact CD1-CG2 3.96Å; I98-I135 HydrophobicContact CG2-CD1 4.03Å; I98-I135 HydrophobicContact CG2-CG2 4.28Å; I98-E137 HydrophobicContact CD1-CB 4.42Å; I98-F167 HydrophobicContact CD1-CD2 4.02Å; I98-F167 HydrophobicContact CD1-CE2 3.73Å; I98-F167 HydrophobicContact CD1-CZ 4.42Å; I98-F167 HydrophobicContact CG1-CE2 4.19Å; I98-F167 HydrophobicContact CG1-CZ 4.47Å; I98-L283 HydrophobicContact CB-CD1 4.49Å; I98-L283 HydrophobicContact CG1-CD1 3.69Å
99V96.9Very high95.2Very high4 Ų448.8 Ų48.82%0.02424%0.236CC..Hα-helixtrans-63.1-40.2179.4160.40000112.1G95 Q96 I101 L102 E103 F109 M111G95-V99 WeakPolarHBondContact O-CB 3.39Å; G95-V99 PolarHBondContact O-N 3.3Å; Q96-V99 PolarHBondContact O-N 3.07Å; V99-I101 VanDerWaalsContact C-N 3.26Å; V99-I101 PolarHBondContact O-N 2.81Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-L102 VanDerWaalsContact O-N 3.12Å; V99-E103 HydrophobicContact CG1-CG 4.01Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.44Å; V99-E103 WeakPolarHBondContact O-CB 3.45Å; V99-E103 VanDerWaalsContact O-CG 3.32Å; V99-E103 WeakPolarHBondContact O-CG 3.37Å; V99-E103 PolarHBondContact O-N 2.74Å; V99-F109 HydrophobicContact CB-CE2 4.23Å; V99-F109 HydrophobicContact CB-CZ 4.29Å; V99-F109 HydrophobicContact CG1-CE1 4.07Å; V99-F109 HydrophobicContact CG1-CE2 3.7Å; V99-F109 HydrophobicContact CG1-CZ 3.37Å; V99-F109 HydrophobicContact CG2-CD2 3.82Å; V99-F109 HydrophobicContact CG2-CE2 3.49Å; V99-F109 VanDerWaalsContact CG2-CE2 3.49Å; V99-F109 HydrophobicContact CG2-CZ 4.05Å; V99-M111 HydrophobicContact CB-CE 4.12Å; V99-M111 HydrophobicContact CG2-CE 3.37Å
100A95.9Very high95.4Very high23 Ų2350.2 Ų50.219%0.1924%0.235CC..Hα-helixtrans-59.6-36.4176.300000112.5Q96 D97 I98 S104Q96-A100 WeakPolarHBondContact O-CB 3.3Å; Q96-A100 PolarHBondContact O-N 3.22Å; D97-A100 PolarHBondContact O-N 3.05Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 2.93Å; A100-S104 WeakPolarHBondContact O-CB 3.47Å; A100-S104 PolarHBondContact O-N 3.37Å; A100-S104 VanDerWaalsContact O-N 3.09Å; A100-S104 PolarHBondContact O-OG 2.97Å
101I97.1Very high95.7Very high9 Ų947.2 Ų47.25%0.04622%0.221CC..Hα-helixtrans-68.5-45.8174.1-69.8172.1000110.8D97 I98 V99 E103 S104 A105 L283 R289 L292 V293 L518D97-I101 PolarHBondContact O-N 2.92Å; I98-I101 PolarHBondContact O-N 3.18Å; V99-I101 VanDerWaalsContact C-N 3.26Å; V99-I101 PolarHBondContact O-N 2.81Å; I101-E103 PolarHBondContact O-N 3.27Å; I101-S104 PolarHBondContact O-N 2.77Å; I101-A105 WeakPolarHBondContact O-CB 3.31Å; I101-A105 PolarHBondContact O-N 3.43Å; I101-L283 HydrophobicContact CD1-CD1 3.93Å; I101-R289 HydrophobicContact CD1-CB 4.14Å; I101-R289 HydrophobicContact CD1-CG 4.24Å; I101-L292 HydrophobicContact CD1-CD2 3.85Å; I101-V293 HydrophobicContact CG2-CG2 4.22Å; I101-L518 HydrophobicContact CG1-CD1 4.29Å; I101-L518 HydrophobicContact CG2-CD1 4.38Å; I101-L518 HydrophobicContact CG2-CD2 4.18Å
102L97.3Very high95.7Very high0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-62.3-42.5178.7-64.6174.4000112V83 V85 I98 V99 A105 H106 F107 F109 I296V83-L102 HydrophobicContact CB-CD1 4.25Å; V83-L102 HydrophobicContact CG1-CD1 4.12Å; V83-L102 HydrophobicContact CG2-CD2 4.14Å; V85-L102 HydrophobicContact CG2-CD1 3.66Å; I98-L102 HydrophobicContact CG2-CD1 4.06Å; I98-L102 WeakPolarHBondContact O-CG 3.12Å; I98-L102 PolarHBondContact O-N 2.86Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-L102 VanDerWaalsContact O-N 3.12Å; L102-A105 CarbonylContact O-C 3.57Å; L102-A105 PolarHBondContact O-N 2.93Å; L102-H106 PolarHBondContact O-N 3.31Å; L102-H106 VanDerWaalsContact O-N 3.11Å; L102-F107 HydrophobicContact CD2-CB 4.14Å; L102-F107 HydrophobicContact CD2-CD2 4Å; L102-F107 PolarHBondContact O-N 3.05Å; L102-F109 HydrophobicContact CB-CD1 4.07Å; L102-F109 HydrophobicContact CD1-CB 3.82Å; L102-F109 HydrophobicContact CD1-CG 4.14Å; L102-I296 HydrophobicContact CD2-CD1 3.76Å
103E95.1Very high95.6Very high36 Ų3644.6 Ų44.617%0.16822%0.215CC..Hα-helixtrans-62.3-47176.4-74.4174.5164.100111.6V99 I101 A105 H106 F109 R466 Y467V99-E103 HydrophobicContact CG1-CG 4.01Å; V99-E103 WeakPolarHBondContact CG1-OE1 3.44Å; V99-E103 WeakPolarHBondContact O-CB 3.45Å; V99-E103 VanDerWaalsContact O-CG 3.32Å; V99-E103 WeakPolarHBondContact O-CG 3.37Å; V99-E103 PolarHBondContact O-N 2.74Å; I101-E103 PolarHBondContact O-N 3.27Å; E103-A105 VanDerWaalsContact C-N 3.28Å; E103-A105 PolarHBondContact O-N 3.23Å; E103-H106 PolarHBondContact O-N 2.86Å; E103-F109 HydrophobicContact CG-CE1 3.57Å; E103-F109 HydrophobicContact CG-CZ 4.04Å; E103-R466 IonicContact OE2-CZ 2.76Å; E103-R466 IonicContact OE2-NE 3.54Å; E103-R466 PolarHBondContact OE2-NE 3.42Å; E103-R466 IonicContact OE2-NH2 3.38Å; E103-R466 PolarHBondContact OE2-NH2 3.31Å; E103-Y467 HydrophobicContact CB-CE1 4.38Å; E103-Y467 HydrophobicContact CG-CE1 4.26Å; E103-Y467 PolarHBondContact OE1-OH 3.23Å; E103-Y467 VanDerWaalsContact OE1-OH 3.05Å; E103-Y467 WeakPolarHBondContact OE2-CE1 3.25Å; E103-Y467 PolarHBondContact OE2-OH 3.43Å
104S94.3Very high95Very high18 Ų1838.8 Ų38.813%0.12619%0.191CC..Hα-helixtrans-66.3-31.5179.3-54.40000112.3A100 I101 H106 R466A100-S104 WeakPolarHBondContact O-CB 3.47Å; A100-S104 PolarHBondContact O-N 3.37Å; A100-S104 VanDerWaalsContact O-N 3.09Å; A100-S104 PolarHBondContact O-OG 2.97Å; I101-S104 PolarHBondContact O-N 2.77Å; S104-H106 VanDerWaalsContact C-N 3.27Å; S104-R466 VanDerWaalsContact OG-CB 3.32Å; S104-R466 WeakPolarHBondContact OG-CB 3.41Å
105A94.4Very high93.7Very high6 Ų641 Ų415%0.0521%0.208CC..THydrogen-bonded Turntrans-83-0.8174.400000113.4I101 L102 E103 F107 L306I101-A105 WeakPolarHBondContact O-CB 3.31Å; I101-A105 PolarHBondContact O-N 3.43Å; L102-A105 CarbonylContact O-C 3.57Å; L102-A105 PolarHBondContact O-N 2.93Å; E103-A105 VanDerWaalsContact C-N 3.28Å; E103-A105 PolarHBondContact O-N 3.23Å; A105-F107 HydrophobicContact CB-CD1 4.22Å; A105-F107 HydrophobicContact CB-CD2 3.79Å; A105-F107 HydrophobicContact CB-CE1 4.18Å; A105-F107 HydrophobicContact CB-CE2 3.75Å; A105-F107 HydrophobicContact CB-CG 4.03Å; A105-F107 HydrophobicContact CB-CZ 3.95Å; A105-F107 VanDerWaalsContact O-CD1 3.31Å; A105-F107 WeakPolarHBondContact O-CD1 3.46Å; A105-F107 WeakPolarHBondContact O-CE1 3.29Å; A105-F107 PolarHBondContact O-N 3.27Å; A105-L306 HydrophobicContact CB-CD1 4.05Å; A105-L306 HydrophobicContact CB-CD2 4.36Å; A105-L306 HydrophobicContact CB-CG 4.42Å
106H92.8Very high92Very high86 Ų8642.6 Ų42.640%0.39823%0.225SC..THydrogen-bonded Turntrans55.932-173.9-57.7-71.6000114.5L102 E103 S104 F572L102-H106 PolarHBondContact O-N 3.31Å; L102-H106 VanDerWaalsContact O-N 3.11Å; E103-H106 PolarHBondContact O-N 2.86Å; S104-H106 VanDerWaalsContact C-N 3.27Å; H106-F572 AromaticContact CD2-CE1 3.62Å; H106-F572 AromaticContact NE2-CE1 3.88Å
107F95.4Very high90.4Very high22 Ų2249 Ų4910%0.09625%0.252CS..  trans-86.5129.3174.8-62.1-19.3000110.3L102 A105 I296 L304 L306L102-F107 HydrophobicContact CD2-CB 4.14Å; L102-F107 HydrophobicContact CD2-CD2 4Å; L102-F107 PolarHBondContact O-N 3.05Å; A105-F107 HydrophobicContact CB-CD1 4.22Å; A105-F107 HydrophobicContact CB-CD2 3.79Å; A105-F107 HydrophobicContact CB-CE1 4.18Å; A105-F107 HydrophobicContact CB-CE2 3.75Å; A105-F107 HydrophobicContact CB-CG 4.03Å; A105-F107 HydrophobicContact CB-CZ 3.95Å; A105-F107 VanDerWaalsContact O-CD1 3.31Å; A105-F107 WeakPolarHBondContact O-CD1 3.46Å; A105-F107 WeakPolarHBondContact O-CE1 3.29Å; A105-F107 PolarHBondContact O-N 3.27Å; F107-I296 HydrophobicContact CD2-CG2 4.03Å; F107-I296 HydrophobicContact CE2-CG2 3.83Å; F107-L304 HydrophobicContact CB-CD2 4.48Å; F107-L304 HydrophobicContact CD1-CB 4.33Å; F107-L304 HydrophobicContact CD1-CD2 4.09Å; F107-L304 HydrophobicContact CD2-CB 4.23Å; F107-L304 HydrophobicContact CE1-CB 4.25Å; F107-L304 HydrophobicContact CE2-CB 4.15Å; F107-L304 HydrophobicContact CG-CB 4.33Å; F107-L304 HydrophobicContact CG-CD2 4.27Å; F107-L304 HydrophobicContact CZ-CB 4.16Å; F107-L306 HydrophobicContact CE1-CD2 4.26Å; F107-L306 HydrophobicContact CZ-CD2 4.31Å; F107-L306 HydrophobicContact CZ-CG 4.12Å
108Q95.9Very high88.9Confident128 Ų12848.6 Ų48.660%0.59826%0.255SS*.EExtended strand (participates in β ladder)trans-67.1137.7175.9-67.1-171.3-1800110V82 V83V82-Q108 CarbonylContact C-O 3.59Å; V82-Q108 WeakPolarHBondContact CA-O 3.34Å; V82-Q108 HydrophobicContact CG1-CB 4.48Å; V82-Q108 HydrophobicContact CG2-CB 4.01Å; V83-Q108 PolarHBondContact N-O 2.75Å
109F97.3Very high87.7Confident63 Ų6355.5 Ų55.528%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-144.4161.7178.971-84.9000111.6V83 V85 V99 L102 E103V83-F109 HydrophobicContact CB-CB 4.12Å; V83-F109 CarbonylContact O-C 3.39Å; V83-F109 WeakPolarHBondContact O-CA 3.19Å; V83-F109 WeakPolarHBondContact O-CB 3.33Å; V85-F109 HydrophobicContact CG2-CB 4.35Å; V99-F109 HydrophobicContact CB-CE2 4.23Å; V99-F109 HydrophobicContact CB-CZ 4.29Å; V99-F109 HydrophobicContact CG1-CE1 4.07Å; V99-F109 HydrophobicContact CG1-CE2 3.7Å; V99-F109 HydrophobicContact CG1-CZ 3.37Å; V99-F109 HydrophobicContact CG2-CD2 3.82Å; V99-F109 HydrophobicContact CG2-CE2 3.49Å; V99-F109 VanDerWaalsContact CG2-CE2 3.49Å; V99-F109 HydrophobicContact CG2-CZ 4.05Å; L102-F109 HydrophobicContact CB-CD1 4.07Å; L102-F109 HydrophobicContact CD1-CB 3.82Å; L102-F109 HydrophobicContact CD1-CG 4.14Å; E103-F109 HydrophobicContact CG-CE1 3.57Å; E103-F109 HydrophobicContact CG-CZ 4.04Å
110R96.2Very high87.1Confident78 Ų7856.9 Ų56.929%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-130122.6169.5-174.5178.9177.3174.6-1.4108.4V83 V85 E112 Y131V83-R110 PolarHBondContact O-N 3Å; V85-R110 PolarHBondContact N-O 2.93Å; R110-E112 HydrophobicContact CG-CG 4.3Å; R110-E112 IonicContact CZ-OE1 3.39Å; R110-E112 IonicContact NE-OE1 3.47Å; R110-E112 PolarHBondContact NE-OE1 2.87Å; R110-E112 IonicContact NH2-OE1 3.82Å; R110-E112 PolarHBondContact NH2-OE1 3.17Å; R110-Y131 HydrophobicContact CB-CE1 4.04Å; R110-Y131 VanDerWaalsContact CD-OH 3.26Å; R110-Y131 WeakPolarHBondContact CD-OH 3.09Å; R110-Y131 PolarHBondContact NH1-OH 2.93Å; R110-Y131 VanDerWaalsContact NH1-OH 3.11Å
111M95Very high86.8Confident48 Ų4856.7 Ų56.724%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-93.2132.8175.7-172.9-169.8-6800109.7V85 V87 V99V85-M111 CarbonylContact O-C 3.53Å; V85-M111 WeakPolarHBondContact O-CA 3.41Å; V87-M111 HydrophobicContact CG1-CG 3.95Å; V87-M111 HydrophobicContact CG1-SD 4.24Å; V87-M111 HydrophobicContact CG2-CG 3.7Å; V87-M111 HydrophobicContact CG2-SD 3.87Å; V99-M111 HydrophobicContact CB-CE 4.12Å; V99-M111 HydrophobicContact CG2-CE 3.37Å
112E93.8Very high86.5Confident62 Ų6260 Ų6029%0.2932%0.318SS..EExtended strand (participates in β ladder)trans-139.3147.2177.3-69.3-68173.500110.4L84 V85 L86 V87 R110 A114 P121L84-E112 HydrophobicContact CD1-CB 4.37Å; L84-E112 HydrophobicContact CD1-CG 4.03Å; V85-E112 PolarHBondContact O-N 2.87Å; L86-E112 WeakPolarHBondContact CA-O 3.4Å; L86-E112 HydrophobicContact CD2-CB 3.97Å; V87-E112 WeakPolarHBondContact CG2-O 3.35Å; V87-E112 PolarHBondContact N-O 3.44Å; R110-E112 HydrophobicContact CG-CG 4.3Å; R110-E112 IonicContact CZ-OE1 3.39Å; R110-E112 IonicContact NE-OE1 3.47Å; R110-E112 PolarHBondContact NE-OE1 2.87Å; R110-E112 IonicContact NH2-OE1 3.82Å; R110-E112 PolarHBondContact NH2-OE1 3.17Å; E112-A114 PolarHBondContact O-N 3.18Å; E112-P121 HydrophobicContact CG-CB 4.32Å; E112-P121 HydrophobicContact CG-CG 4.1Å
113I91.3Very high86.3Confident90 Ų9060.5 Ų60.546%0.46232%0.321SS..EExtended strand (participates in β ladder)trans-79.1123177-62.2171.1000109.5V87 Q90 S115V87-I113 HydrophobicContact CG2-CG1 4.45Å; V87-I113 CarbonylContact O-C 3.33Å; V87-I113 VanDerWaalsContact O-CA 3.27Å; V87-I113 WeakPolarHBondContact O-CA 3.37Å; Q90-I113 HydrophobicContact CG-CD1 4.18Å; Q90-I113 HydrophobicContact CG-CG1 4.38Å; I113-S115 PolarHBondContact O-N 2.91Å
114A83.4Confident86.1Confident14 Ų1462 Ų6212%0.11633%0.332CS..  trans-74.285.1177.300000111.3L86 V87 E112 K141L86-A114 HydrophobicContact CB-CB 4.11Å; V87-A114 PolarHBondContact O-N 3.01Å; E112-A114 PolarHBondContact O-N 3.18Å; A114-K141 HydrophobicContact CB-CB 4.24Å; A114-K141 HydrophobicContact CB-CG 4.24Å
115S69.3Low85.7Confident72 Ų7265.9 Ų65.950%0.50335%0.349SS..  trans-73.7127.1170-177.80000110.2I113 K117 G118I113-S115 PolarHBondContact O-N 2.91Å; S115-K117 PolarHBondContact O-N 2.76Å; S115-G118 PolarHBondContact O-N 2.85Å; S115-G118 PolarHBondContact OG-N 3.44Å; S115-G118 VanDerWaalsContact OG-N 3.08Å
116G61.1Low85.1Confident35 Ų3575.4 Ų75.436%0.36139%0.389SS..THydrogen-bonded Turntrans-70.6-6177.700000114.6
117K61.3Low84.5Confident201 Ų20174.1 Ų74.187%0.87440%0.399SS*.THydrogen-bonded Turntrans-136.16.9177.3-65.8-173.5177.6-177.80112.9S115S115-K117 PolarHBondContact O-N 2.76Å
118G64.7Low84.1Confident24 Ų2478.7 Ų78.725%0.24742%0.416CS..SBendtrans-100.1159.9-177.500000111.5S115 N149S115-G118 PolarHBondContact O-N 2.85Å; S115-G118 PolarHBondContact OG-N 3.44Å; S115-G118 VanDerWaalsContact OG-N 3.08Å; G118-N149 PolarHBondContact O-ND2 3.33Å
119D73.8Confident84Confident146 Ų14672.6 Ų72.678%0.78139%0.388SS*.PPolyproline II helixtrans-70.1139.8178.2-64.3-34.1000111
120L84.3Confident83.8Confident34 Ų3472.6 Ų72.618%0.17839%0.386CS..PPolyproline II helixtrans-63.9150168-72.2162.8000110.6L86 N149 L152 L153L86-L120 HydrophobicContact CD1-CD2 4.34Å; L120-N149 HydrophobicContact CD1-CB 4.01Å; L120-N149 WeakPolarHBondContact CD1-OD1 3.35Å; L120-N149 HydrophobicContact CG-CB 4.49Å; L120-N149 WeakPolarHBondContact CG-OD1 3.4Å; L120-L152 HydrophobicContact CD1-CD2 4.44Å; L120-L153 HydrophobicContact CD1-CD1 3.69Å; L120-L153 HydrophobicContact CD1-CD2 3.73Å; L120-L153 HydrophobicContact CD1-CG 3.39Å; L120-L153 HydrophobicContact CD2-CD1 4.47Å; L120-L153 HydrophobicContact CD2-CD2 4.45Å
121P89.4Confident83.9Confident18 Ų1869 Ų6912%0.11737%0.372CS..PPolyproline II helixtrans-59155.1169.630.4-38.4000109.9L84 E112 L123L84-P121 HydrophobicContact CD1-CG 3.94Å; L84-P121 HydrophobicContact CD2-CG 3.98Å; E112-P121 HydrophobicContact CG-CB 4.32Å; E112-P121 HydrophobicContact CG-CG 4.1Å; P121-L123 PolarHBondContact O-N 3.35Å; P121-L123 VanDerWaalsContact O-N 3.07Å
122P90.4Very high83.9Confident79 Ų7966.9 Ų66.951%0.51336%0.362SS..PPolyproline II helixtrans-53.4122175.9-24.932.7000110.5R130P122-R130 WeakPolarHBondContact O-CD 3.25Å
123L92.9Very high84.1Confident10 Ų1064 Ų645%0.05235%0.348CS..  trans-88.2-21.7-179-59.5-179.9000112.2L84 P121 R130 Y131 L152 L153 Y156L84-L123 HydrophobicContact CD2-CD2 4.06Å; P121-L123 PolarHBondContact O-N 3.35Å; P121-L123 VanDerWaalsContact O-N 3.07Å; L123-R130 WeakPolarHBondContact O-CB 3.4Å; L123-R130 PolarHBondContact O-N 2.84Å; L123-Y131 HydrophobicContact CD2-CD2 4.01Å; L123-Y131 HydrophobicContact CD2-CE2 4.02Å; L123-L152 HydrophobicContact CD1-CG 4.18Å; L123-L153 HydrophobicContact CD1-CD2 4.09Å; L123-Y156 HydrophobicContact CB-CD1 4.32Å; L123-Y156 HydrophobicContact CB-CD2 3.74Å; L123-Y156 HydrophobicContact CB-CE1 4.45Å; L123-Y156 HydrophobicContact CB-CE2 3.89Å; L123-Y156 HydrophobicContact CB-CG 3.97Å; L123-Y156 HydrophobicContact CD1-CD1 4.05Å; L123-Y156 HydrophobicContact CD1-CD2 4.4Å; L123-Y156 HydrophobicContact CD1-CG 3.82Å; L123-Y156 HydrophobicContact CG-CG 4.46Å; L123-Y156 WeakPolarHBondContact O-CE2 3.16Å
124T91Very high84.5Confident67 Ų6759.7 Ų59.741%0.41133%0.326SS..EExtended strand (participates in β ladder)trans-125.6152.6178.760.40000111.4R128 Y156 Y160T124-R128 CarbonylContact C-O 3.58Å; T124-R128 WeakPolarHBondContact CA-O 3.39Å; T124-R128 WeakPolarHBondContact CB-O 3.42Å; T124-Y156 HydrophobicContact CG2-CD2 4.02Å; T124-Y156 HydrophobicContact CG2-CE2 3.96Å; T124-Y160 HydrophobicContact CG2-CE2 3.81Å
125E85.8Confident85.2Confident101 Ų10159 Ų5947%0.47232%0.321SS..EExtended strand (participates in β ladder)trans-140.2121170.5-176173.7176.500108.9G127 R128 R130E125-G127 PolarHBondContact O-N 2.79Å; E125-R128 PolarHBondContact N-O 3.13Å; E125-R128 WeakPolarHBondContact O-CB 3.47Å; E125-R128 PolarHBondContact O-N 2.97Å; E125-R130 HydrophobicContact CB-CG 4.04Å
126K83.3Confident86.5Confident205 Ų20555.9 Ų55.989%0.89130%0.298SS*.THydrogen-bonded Turntrans51.739.2179.8-58.9171.8-176.91680113.4R128K126-R128 VanDerWaalsContact C-N 3.31Å; K126-R128 PolarHBondContact O-N 2.72Å
127G79.8Confident88.2Confident60 Ų6054.8 Ų54.862%0.61928%0.284SS*.THydrogen-bonded Turntrans81.8-2.6-179.600000115.5E125 Y160E125-G127 PolarHBondContact O-N 2.79Å; G127-Y160 PolarHBondContact O-OH 3.3Å
128R87.1Confident89.7Confident118 Ų11846.8 Ų46.845%0.44525%0.25SS..EExtended strand (participates in β ladder)trans-96.6142.9176.5-173.2176.4172.8150.4-5.1110.9H78 D80 T124 E125 K126H78-R128 HydrophobicContact CB-CG 4.21Å; H78-R128 VanDerWaalsContact O-CG 3.28Å; H78-R128 WeakPolarHBondContact O-CG 3.23Å; D80-R128 IonicContact OD1-CZ 2.87Å; D80-R128 IonicContact OD1-NE 3.84Å; D80-R128 PolarHBondContact OD1-NE 2.94Å; D80-R128 IonicContact OD1-NH2 3.24Å; D80-R128 PolarHBondContact OD1-NH2 2.84Å; T124-R128 CarbonylContact C-O 3.58Å; T124-R128 WeakPolarHBondContact CA-O 3.39Å; T124-R128 WeakPolarHBondContact CB-O 3.42Å; E125-R128 PolarHBondContact N-O 3.13Å; E125-R128 WeakPolarHBondContact O-CB 3.47Å; E125-R128 PolarHBondContact O-N 2.97Å; K126-R128 VanDerWaalsContact C-N 3.31Å; K126-R128 PolarHBondContact O-N 2.72Å
129G92.1Very high91.1Very high0 Ų045.6 Ų45.60%024%0.238CC..EExtended strand (participates in β ladder)trans-77.7130.1174.400000110.7H78 T79 D80 Y156H78-G129 PolarHBondContact O-N 2.83Å; T79-G129 CarbonylContact C-O 3.53Å; T79-G129 WeakPolarHBondContact CA-O 3.3Å; D80-G129 PolarHBondContact N-O 2.89Å; G129-Y156 WeakPolarHBondContact CA-OH 3.35Å
130R94.5Very high92Very high62 Ų6240.5 Ų40.523%0.23421%0.211CC..SBendtrans-82.8-14.5-174.7-66.9-173.468.6-176.76.3114.1D80 P122 L123 E125 Y156D80-R130 WeakPolarHBondContact CB-O 3.35Å; P122-R130 WeakPolarHBondContact O-CD 3.25Å; L123-R130 WeakPolarHBondContact O-CB 3.4Å; L123-R130 PolarHBondContact O-N 2.84Å; E125-R130 HydrophobicContact CB-CG 4.04Å; R130-Y156 PolarHBondContact N-OH 2.63Å
131Y96.9Very high92.3Very high3 Ų342.3 Ų42.31%0.01222%0.217CC..  trans-136.9137.1-175.2-47.7-72.5000110.9V82 L84 R110 L123 Y156 V162V82-Y131 HydrophobicContact CB-CD1 4.2Å; V82-Y131 HydrophobicContact CG1-CD1 3.9Å; V82-Y131 HydrophobicContact CG1-CE1 4.16Å; V82-Y131 CarbonylContact O-C 3.57Å; V82-Y131 VanDerWaalsContact O-CA 3.29Å; V82-Y131 WeakPolarHBondContact O-CA 3.15Å; L84-Y131 HydrophobicContact CB-CD1 3.72Å; L84-Y131 HydrophobicContact CB-CD2 4.09Å; L84-Y131 HydrophobicContact CB-CE1 4.12Å; L84-Y131 HydrophobicContact CB-CE2 4.45Å; L84-Y131 HydrophobicContact CB-CG 3.72Å; L84-Y131 HydrophobicContact CD1-CE1 4.24Å; L84-Y131 HydrophobicContact CD1-CE2 4.47Å; L84-Y131 HydrophobicContact CD2-CD2 4.12Å; L84-Y131 HydrophobicContact CD2-CE2 4.12Å; R110-Y131 HydrophobicContact CB-CE1 4.04Å; R110-Y131 VanDerWaalsContact CD-OH 3.26Å; R110-Y131 WeakPolarHBondContact CD-OH 3.09Å; R110-Y131 PolarHBondContact NH1-OH 2.93Å; R110-Y131 VanDerWaalsContact NH1-OH 3.11Å; L123-Y131 HydrophobicContact CD2-CD2 4.01Å; L123-Y131 HydrophobicContact CD2-CE2 4.02Å; Y131-Y156 PolarHBondContact N-OH 2.81Å; Y131-Y156 PolarHBondContact O-OH 2.85Å; Y131-V162 WeakPolarHBondContact O-CG2 3.43Å
132S96.4Very high92.3Very high4 Ų442.5 Ų42.53%0.02822%0.216CC..SBendtrans-93.3-15.4176.257.30000113.2D80 V82D80-S132 VanDerWaalsContact O-CB 3.27Å; D80-S132 WeakPolarHBondContact O-CB 3.35Å; D80-S132 PolarHBondContact O-N 3.04Å; D80-S132 VanDerWaalsContact O-N 3.16Å; D80-S132 PolarHBondContact O-OG 3.1Å; V82-S132 PolarHBondContact O-N 3.33Å; V82-S132 PolarHBondContact O-OG 3.24Å
133L98.3Very high92.2Very high0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-150.8145.4-178.6-175.764.1000109.8V83 L84 I135 I165 I296 L299 T300V83-L133 HydrophobicContact CG1-CB 4.28Å; V83-L133 HydrophobicContact CG1-CD2 4.19Å; V83-L133 HydrophobicContact CG1-CG 4.31Å; V83-L133 HydrophobicContact CG2-CB 4.3Å; V83-L133 HydrophobicContact CG2-CD2 4.31Å; L84-L133 PolarHBondContact N-O 2.88Å; L133-I135 HydrophobicContact CD2-CD1 4.17Å; L133-I135 HydrophobicContact CD2-CG1 4.14Å; L133-I135 HydrophobicContact CG-CG1 4.22Å; L133-I165 HydrophobicContact CD1-CD1 4.43Å; L133-I165 HydrophobicContact CD1-CG1 4.24Å; L133-I165 HydrophobicContact CD2-CD1 4.03Å; L133-I296 HydrophobicContact CD2-CB 4.14Å; L133-I296 HydrophobicContact CD2-CG1 3.78Å; L133-I296 HydrophobicContact CD2-CG2 4.02Å; L133-L299 HydrophobicContact CD1-CB 3.72Å; L133-L299 HydrophobicContact CD1-CD1 3.9Å; L133-T300 HydrophobicContact CB-CG2 3.8Å; L133-T300 HydrophobicContact CD2-CG2 4.23Å; L133-T300 HydrophobicContact CG-CG2 4.42Å
134I98.3Very high91.9Very high0 Ų043.2 Ų43.20%021%0.212CC..EExtended strand (participates in β ladder)trans-120.3131171-55.2174.2000108.7L84 L86 Y136 L153 Y156 V162 G163 I164 I165L84-I134 HydrophobicContact CB-CG1 4.3Å; L84-I134 HydrophobicContact CD2-CG1 4.45Å; L84-I134 HydrophobicContact CD2-CG2 4.42Å; L84-I134 CarbonylContact O-C 3.55Å; L84-I134 WeakPolarHBondContact O-CA 3.29Å; L86-I134 HydrophobicContact CD1-CG2 3.85Å; I134-Y136 HydrophobicContact CG2-CD2 3.95Å; I134-Y136 HydrophobicContact CG2-CE2 3.57Å; I134-L153 HydrophobicContact CD1-CD2 3.85Å; I134-Y156 HydrophobicContact CD1-CD1 4.3Å; I134-Y156 HydrophobicContact CD1-CE1 4.41Å; I134-V162 HydrophobicContact CD1-CG1 4.22Å; I134-V162 HydrophobicContact CG1-CG1 3.93Å; I134-G163 PolarHBondContact N-O 3.18Å; I134-I164 CarbonylContact O-C 3.57Å; I134-I164 VanDerWaalsContact O-CA 3.31Å; I134-I164 WeakPolarHBondContact O-CA 3.42Å; I134-I165 PolarHBondContact O-N 2.91Å
135I98.4Very high91.7Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-117.9124.1176.6-53.3-174.1000108.8V83 L84 L86 I98 L133 I165 F167V83-I135 HydrophobicContact CG1-CD1 3.66Å; V83-I135 HydrophobicContact CG1-CG1 3.69Å; L84-I135 PolarHBondContact O-N 3.38Å; L86-I135 PolarHBondContact N-O 3.45Å; I98-I135 HydrophobicContact CD1-CG2 3.96Å; I98-I135 HydrophobicContact CG2-CD1 4.03Å; I98-I135 HydrophobicContact CG2-CG2 4.28Å; L133-I135 HydrophobicContact CD2-CD1 4.17Å; L133-I135 HydrophobicContact CD2-CG1 4.14Å; L133-I135 HydrophobicContact CG-CG1 4.22Å; I135-I165 CarbonylContact C-O 3.52Å; I135-I165 WeakPolarHBondContact CA-O 3.42Å; I135-I165 HydrophobicContact CB-CB 4.46Å; I135-I165 HydrophobicContact CD1-CD1 4.31Å; I135-I165 HydrophobicContact CG1-CB 4.12Å; I135-I165 HydrophobicContact CG1-CD1 4.38Å; I135-I165 HydrophobicContact CG2-CB 4.18Å; I135-I165 HydrophobicContact CG2-CG2 4.29Å; I135-F167 HydrophobicContact CG2-CD2 4.39Å; I135-F167 HydrophobicContact CG2-CE2 4Å
136Y97.1Very high91.8Very high7 Ų738.6 Ų38.63%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-102.7119.9171.3-79.1-94.7000110L86 I134 N138 K141 Y142 L153 I164 I165 F167L86-Y136 HydrophobicContact CB-CD1 3.98Å; L86-Y136 HydrophobicContact CB-CE1 4.1Å; L86-Y136 HydrophobicContact CB-CG 4.4Å; L86-Y136 HydrophobicContact CD1-CD1 4.08Å; L86-Y136 HydrophobicContact CD1-CD2 4.31Å; L86-Y136 HydrophobicContact CD1-CE1 3.43Å; L86-Y136 VanDerWaalsContact CD1-CE1 3.43Å; L86-Y136 HydrophobicContact CD1-CE2 3.71Å; L86-Y136 HydrophobicContact CD1-CG 4.48Å; L86-Y136 VanDerWaalsContact CD1-OH 3.31Å; L86-Y136 WeakPolarHBondContact CD1-OH 3.36Å; L86-Y136 HydrophobicContact CG-CE1 4.4Å; I134-Y136 HydrophobicContact CG2-CD2 3.95Å; I134-Y136 HydrophobicContact CG2-CE2 3.57Å; Y136-N138 PolarHBondContact O-N 2.76Å; Y136-K141 HydrophobicContact CD1-CB 4.22Å; Y136-K141 HydrophobicContact CE1-CB 4.42Å; Y136-Y142 HydrophobicContact CD2-CD2 4.34Å; Y136-Y142 HydrophobicContact CD2-CG 4.4Å; Y136-Y142 AromaticContact CE2-CD2 3.75Å; Y136-Y142 HydrophobicContact CE2-CD2 3.75Å; Y136-Y142 HydrophobicContact CE2-CG 4.23Å; Y136-Y142 AromaticContact CZ-CD2 3.93Å; Y136-L153 WeakPolarHBondContact OH-CD1 3.45Å; Y136-I164 HydrophobicContact CD2-CG2 3.96Å; Y136-I164 HydrophobicContact CE2-CG2 4.42Å; Y136-I165 PolarHBondContact N-O 3.34Å; Y136-F167 PolarHBondContact O-N 2.95Å
137E95.9Very high92Very high12 Ų1233.4 Ų33.46%0.05618%0.176CC..SBendtrans-68.5-2317285.7173.5-161.500112.5L86 V87 E88 S92 L94 G95 I98 F167L86-E137 PolarHBondContact O-N 3.46Å; V87-E137 VanDerWaalsContact CA-CD 3.42Å; V87-E137 WeakPolarHBondContact CA-OE2 3.42Å; V87-E137 HydrophobicContact CB-CG 4.44Å; V87-E137 VanDerWaalsContact CB-OE2 3.27Å; V87-E137 WeakPolarHBondContact CB-OE2 3.26Å; V87-E137 VanDerWaalsContact CG1-OE2 3.31Å; V87-E137 WeakPolarHBondContact CG1-OE2 3.41Å; E88-E137 WeakPolarHBondContact CA-OE1 3.42Å; E88-E137 WeakPolarHBondContact CB-OE1 3.24Å; E88-E137 HydrophobicContact CG-CG 4.15Å; E88-E137 VanDerWaalsContact CG-OE1 3.25Å; E88-E137 WeakPolarHBondContact CG-OE1 3.17Å; E88-E137 PolarHBondContact N-OE1 3Å; S92-E137 VanDerWaalsContact CB-OE1 3.24Å; S92-E137 WeakPolarHBondContact CB-OE1 3.12Å; S92-E137 WeakPolarHBondContact CB-OE2 3.31Å; S92-E137 VanDerWaalsContact OG-CD 3.28Å; S92-E137 PolarHBondContact OG-OE1 3.01Å; S92-E137 PolarHBondContact OG-OE2 2.87Å; L94-E137 HydrophobicContact CD2-CB 4.19Å; L94-E137 WeakPolarHBondContact CD2-O 3.36Å; L94-E137 HydrophobicContact CG-CB 4.34Å; G95-E137 WeakPolarHBondContact CA-OE2 3.48Å; G95-E137 PolarHBondContact N-OE2 3.24Å; I98-E137 HydrophobicContact CD1-CB 4.42Å; E137-F167 WeakPolarHBondContact O-CB 3.46Å
138N94.1Very high92.4Very high32 Ų3238.7 Ų38.717%0.17118%0.178CC..  trans-130.4108.3174.5-176-8.8000110.4E88 Y136 L140 K141 F167E88-N138 HydrophobicContact CG-CB 4.16Å; E88-N138 PolarHBondContact OE1-ND2 2.93Å; Y136-N138 PolarHBondContact O-N 2.76Å; N138-L140 PolarHBondContact O-N 3.37Å; N138-L140 WeakPolarHBondContact OD1-CB 3.49Å; N138-L140 PolarHBondContact OD1-N 3.25Å; N138-K141 HydrophobicContact CB-CG 4.04Å; N138-K141 WeakPolarHBondContact O-CB 3.31Å; N138-K141 PolarHBondContact O-N 2.82Å; N138-F167 CarbonylContact C-O 3.37Å; N138-F167 WeakPolarHBondContact CA-O 3.44Å
139L93.6Very high92.4Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-59-26.6179.5-17858.9000112.9K141 Y142 A143 F167 L180 L278L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 2.99Å; L139-Y142 HydrophobicContact CD1-CD1 3.95Å; L139-Y142 WeakPolarHBondContact O-CB 3.39Å; L139-Y142 PolarHBondContact O-N 3.27Å; L139-A143 PolarHBondContact O-N 3.17Å; L139-F167 WeakPolarHBondContact CB-O 3.4Å; L139-F167 PolarHBondContact N-O 3.35Å; L139-L180 HydrophobicContact CD2-CD1 3.64Å; L139-L180 HydrophobicContact CG-CD1 4.18Å; L139-L278 HydrophobicContact CD1-CD2 3.73Å; L139-L278 HydrophobicContact CD2-CD1 4.25Å; L139-L278 HydrophobicContact CD2-CD2 4.04Å
140L91.8Very high92.2Very high39 Ų3937.9 Ų37.920%0.20418%0.175CC..Hα-helixtrans-67.7-30.3175.9-61.3-171.2000112.5N138 Y142 A143 H144 Y168 L178 L180N138-L140 PolarHBondContact O-N 3.37Å; N138-L140 WeakPolarHBondContact OD1-CB 3.49Å; N138-L140 PolarHBondContact OD1-N 3.25Å; L140-Y142 PolarHBondContact O-N 3.44Å; L140-A143 PolarHBondContact O-N 3.18Å; L140-H144 WeakPolarHBondContact O-CB 3.33Å; L140-H144 PolarHBondContact O-N 2.94Å; L140-Y168 HydrophobicContact CD1-CE2 3.79Å; L140-Y168 HydrophobicContact CD2-CD2 4Å; L140-Y168 HydrophobicContact CD2-CE2 3.69Å; L140-Y168 HydrophobicContact CG-CD2 3.9Å; L140-Y168 HydrophobicContact CG-CE2 3.61Å; L140-L178 HydrophobicContact CD2-CD2 3.73Å; L140-L180 HydrophobicContact CD2-CD2 3.75Å
141K90.8Very high92Very high72 Ų7240.5 Ų40.531%0.31319%0.19SC..Hα-helixtrans-64.6-35.1174.6-62.9-69.3-176.1167.90111.2A114 Y136 N138 L139 A145A114-K141 HydrophobicContact CB-CB 4.24Å; A114-K141 HydrophobicContact CB-CG 4.24Å; Y136-K141 HydrophobicContact CD1-CB 4.22Å; Y136-K141 HydrophobicContact CE1-CB 4.42Å; N138-K141 HydrophobicContact CB-CG 4.04Å; N138-K141 WeakPolarHBondContact O-CB 3.31Å; N138-K141 PolarHBondContact O-N 2.82Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 2.99Å; K141-A145 PolarHBondContact O-N 2.92Å
142Y89.6Confident91.8Very high21 Ų2143.4 Ų43.48%0.08221%0.205CC..Hα-helixtrans-69.8-50.7172.5174.2-111.7000112Y136 L139 L140 H144 A145 I164 L183 R276Y136-Y142 HydrophobicContact CD2-CD2 4.34Å; Y136-Y142 HydrophobicContact CD2-CG 4.4Å; Y136-Y142 AromaticContact CE2-CD2 3.75Å; Y136-Y142 HydrophobicContact CE2-CD2 3.75Å; Y136-Y142 HydrophobicContact CE2-CG 4.23Å; Y136-Y142 AromaticContact CZ-CD2 3.93Å; L139-Y142 HydrophobicContact CD1-CD1 3.95Å; L139-Y142 WeakPolarHBondContact O-CB 3.39Å; L139-Y142 PolarHBondContact O-N 3.27Å; L140-Y142 PolarHBondContact O-N 3.44Å; Y142-H144 VanDerWaalsContact C-N 3.33Å; Y142-H144 PolarHBondContact O-N 2.88Å; Y142-A145 PolarHBondContact O-N 2.81Å; Y142-I164 HydrophobicContact CD2-CD1 4.15Å; Y142-I164 HydrophobicContact CE1-CD1 4.45Å; Y142-I164 HydrophobicContact CE2-CD1 3.41Å; Y142-I164 VanDerWaalsContact CE2-CD1 3.41Å; Y142-L183 HydrophobicContact CE1-CD1 4.32Å; Y142-R276 PolarHBondContact OH-NE 2.88Å; Y142-R276 PolarHBondContact OH-NH2 3.41Å
143A88.4Confident91.6Very high4 Ų443.3 Ų43.33%0.03321%0.205CC..Hα-helixtrans-68.9-29.1-176.100000113.9L139 L140 L180L139-A143 PolarHBondContact O-N 3.17Å; L140-A143 PolarHBondContact O-N 3.18Å; A143-L180 HydrophobicContact CB-CD2 3.96Å
144H87.4Confident91.4Very high100 Ų10047 Ų4746%0.46322%0.222SC..THydrogen-bonded Turntrans-104.713.2-179.4-57.7154.4000113.6L140 Y142L140-H144 WeakPolarHBondContact O-CB 3.33Å; L140-H144 PolarHBondContact O-N 2.94Å; Y142-H144 VanDerWaalsContact C-N 3.33Å; Y142-H144 PolarHBondContact O-N 2.88Å
145A86.6Confident91.1Very high14 Ų1452.4 Ų52.412%0.11625%0.247CC..  trans-53.5144168.600000110.2K141 Y142 N149 R150K141-A145 PolarHBondContact O-N 2.92Å; Y142-A145 PolarHBondContact O-N 2.81Å; A145-N149 HydrophobicContact CB-CB 4.4Å; A145-R150 HydrophobicContact CB-CB 4.39Å
146D87.4Confident91Very high57 Ų5752.8 Ų52.831%0.30525%0.249SC..  trans-61.5163.5173.765.786000111.1W148 N149 R150D146-W148 PolarHBondContact O-N 3.46Å; D146-W148 WeakPolarHBondContact OD1-CB 3.47Å; D146-W148 PolarHBondContact OD1-N 2.98Å; D146-N149 PolarHBondContact O-N 3.02Å; D146-N149 PolarHBondContact OD1-N 3.27Å; D146-N149 WeakPolarHBondContact OD2-CB 3.33Å; D146-N149 PolarHBondContact OD2-ND2 2.96Å; D146-R150 VanDerWaalsContact O-CB 3.3Å; D146-R150 WeakPolarHBondContact O-CB 3.46Å; D146-R150 PolarHBondContact O-N 3.14Å
147T86.8Confident90.9Very high96 Ų9652.6 Ų52.659%0.58925%0.248SC*.Hα-helixtrans-58.9-36.7-172.4-53.80000112.7Q151T147-Q151 WeakPolarHBondContact O-CB 3.33Å; T147-Q151 VanDerWaalsContact O-CG 3.26Å; T147-Q151 WeakPolarHBondContact O-CG 3.15Å; T147-Q151 PolarHBondContact O-N 3.08Å
148W87.9Confident90.8Very high172 Ų17254.8 Ų54.865%0.65226%0.262SS*.Hα-helixtrans-68.9-54.7-179.4173.9-98000111D146 R150 Q151 L152D146-W148 PolarHBondContact O-N 3.46Å; D146-W148 WeakPolarHBondContact OD1-CB 3.47Å; D146-W148 PolarHBondContact OD1-N 2.98Å; W148-R150 VanDerWaalsContact C-N 3.27Å; W148-R150 PolarHBondContact O-N 3.37Å; W148-Q151 PolarHBondContact O-N 3.01Å; W148-L152 WeakPolarHBondContact O-CB 3.4Å; W148-L152 PolarHBondContact O-N 3.38Å
149N88.7Confident90.7Very high9 Ų957.8 Ų57.85%0.04828%0.275CS..Hα-helixtrans-60.2-37.9178.7-82.7-37000112.1G118 L120 A145 D146 L152 L153G118-N149 PolarHBondContact O-ND2 3.33Å; L120-N149 HydrophobicContact CD1-CB 4.01Å; L120-N149 WeakPolarHBondContact CD1-OD1 3.35Å; L120-N149 HydrophobicContact CG-CB 4.49Å; L120-N149 WeakPolarHBondContact CG-OD1 3.4Å; A145-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 PolarHBondContact O-N 3.02Å; D146-N149 PolarHBondContact OD1-N 3.27Å; D146-N149 WeakPolarHBondContact OD2-CB 3.33Å; D146-N149 PolarHBondContact OD2-ND2 2.96Å; N149-L152 PolarHBondContact O-N 2.95Å; N149-L153 WeakPolarHBondContact O-CB 3.46Å; N149-L153 WeakPolarHBondContact O-CG 3.44Å; N149-L153 PolarHBondContact O-N 2.94Å
150R88.2Confident90.6Very high91 Ų9159 Ų5934%0.34328%0.28SS..Hα-helixtrans-64.8-43.4176.7-174.8175.2174.9-167.2-5.7112.3A145 D146 W148 H154 G182A145-R150 HydrophobicContact CB-CB 4.39Å; D146-R150 VanDerWaalsContact O-CB 3.3Å; D146-R150 WeakPolarHBondContact O-CB 3.46Å; D146-R150 PolarHBondContact O-N 3.14Å; W148-R150 VanDerWaalsContact C-N 3.27Å; W148-R150 PolarHBondContact O-N 3.37Å; R150-H154 VanDerWaalsContact O-CB 3.24Å; R150-H154 WeakPolarHBondContact O-CB 3.24Å; R150-H154 PolarHBondContact O-N 2.92Å; R150-G182 PolarHBondContact NH2-O 2.87Å
151Q90.3Very high90.7Very high118 Ų11865.7 Ų65.755%0.55130%0.303SS*.Hα-helixtrans-65.2-44.9176.3-77173.5-8.600111.2T147 W148 H154 Q155T147-Q151 WeakPolarHBondContact O-CB 3.33Å; T147-Q151 VanDerWaalsContact O-CG 3.26Å; T147-Q151 WeakPolarHBondContact O-CG 3.15Å; T147-Q151 PolarHBondContact O-N 3.08Å; W148-Q151 PolarHBondContact O-N 3.01Å; Q151-H154 PolarHBondContact O-N 3.17Å; Q151-Q155 WeakPolarHBondContact O-CB 3.25Å; Q151-Q155 PolarHBondContact O-N 3.39Å
152L92Very high90.9Very high63 Ų6362.3 Ų62.333%0.3329%0.288SS..Hα-helixtrans-59.8-47.9177.9-179.163.3000111.9L120 L123 W148 N149 Q155 Y156L120-L152 HydrophobicContact CD1-CD2 4.44Å; L123-L152 HydrophobicContact CD1-CG 4.18Å; W148-L152 WeakPolarHBondContact O-CB 3.4Å; W148-L152 PolarHBondContact O-N 3.38Å; N149-L152 PolarHBondContact O-N 2.95Å; L152-Q155 PolarHBondContact O-N 3.4Å; L152-Y156 WeakPolarHBondContact O-CB 3.31Å; L152-Y156 PolarHBondContact O-N 2.6Å
153L92.6Very high91.3Very high3 Ų361.3 Ų61.32%0.01628%0.284CS..Hα-helixtrans-62.8-44.2176.1-76.8166.2000112.1L120 L123 I134 Y136 N149 Y156 C157L120-L153 HydrophobicContact CD1-CD1 3.69Å; L120-L153 HydrophobicContact CD1-CD2 3.73Å; L120-L153 HydrophobicContact CD1-CG 3.39Å; L120-L153 HydrophobicContact CD2-CD1 4.47Å; L120-L153 HydrophobicContact CD2-CD2 4.45Å; L123-L153 HydrophobicContact CD1-CD2 4.09Å; I134-L153 HydrophobicContact CD1-CD2 3.85Å; Y136-L153 WeakPolarHBondContact OH-CD1 3.45Å; N149-L153 WeakPolarHBondContact O-CB 3.46Å; N149-L153 WeakPolarHBondContact O-CG 3.44Å; N149-L153 PolarHBondContact O-N 2.94Å; L153-Y156 PolarHBondContact O-N 2.94Å; L153-C157 VanDerWaalsContact O-CB 3.29Å; L153-C157 WeakPolarHBondContact O-CB 3.23Å; L153-C157 PolarHBondContact O-N 3.46Å; L153-C157 PolarHBondContact O-SG 2.84Å; L153-C157 VanDerWaalsContact O-SG 3.37Å
154H92.7Very high91.8Very high78 Ų7861.2 Ų61.236%0.36128%0.283SS..Hα-helixtrans-62.8-45.6179.4176.684.6000111.4R150 Q151 C157 T158 D272R150-H154 VanDerWaalsContact O-CB 3.24Å; R150-H154 WeakPolarHBondContact O-CB 3.24Å; R150-H154 PolarHBondContact O-N 2.92Å; Q151-H154 PolarHBondContact O-N 3.17Å; H154-C157 PolarHBondContact O-N 3.22Å; H154-T158 WeakPolarHBondContact O-CB 3.39Å; H154-T158 WeakPolarHBondContact O-CG2 3.34Å; H154-T158 PolarHBondContact O-N 3.33Å; H154-T158 PolarHBondContact O-OG1 2.91Å; H154-D272 PolarHBondContact CE1-O 2.68Å
155Q93.5Very high92.3Very high113 Ų11356.4 Ų56.453%0.52826%0.261SS..Hα-helixtrans-59.4-48.5174.6-176.2-179.3-8.300110.8Q151 L152 C157 T158 E159Q151-Q155 WeakPolarHBondContact O-CB 3.25Å; Q151-Q155 PolarHBondContact O-N 3.39Å; L152-Q155 PolarHBondContact O-N 3.4Å; Q155-C157 PolarHBondContact O-N 3.03Å; Q155-T158 PolarHBondContact O-N 2.9Å; Q155-T158 PolarHBondContact O-OG1 3.44Å; Q155-T158 VanDerWaalsContact O-OG1 3.08Å; Q155-E159 WeakPolarHBondContact O-CB 3.27Å; Q155-E159 PolarHBondContact O-N 3.49Å
156Y95.2Very high92.8Very high8 Ų855.8 Ų55.83%0.03126%0.255CS..Hα-helixtrans-59.4-48.3178.3-178.5-105.6000112.4L123 T124 G129 R130 Y131 I134 L152 L153 T158 Y160 V162L123-Y156 HydrophobicContact CB-CD1 4.32Å; L123-Y156 HydrophobicContact CB-CD2 3.74Å; L123-Y156 HydrophobicContact CB-CE1 4.45Å; L123-Y156 HydrophobicContact CB-CE2 3.89Å; L123-Y156 HydrophobicContact CB-CG 3.97Å; L123-Y156 HydrophobicContact CD1-CD1 4.05Å; L123-Y156 HydrophobicContact CD1-CD2 4.4Å; L123-Y156 HydrophobicContact CD1-CG 3.82Å; L123-Y156 HydrophobicContact CG-CG 4.46Å; L123-Y156 WeakPolarHBondContact O-CE2 3.16Å; T124-Y156 HydrophobicContact CG2-CD2 4.02Å; T124-Y156 HydrophobicContact CG2-CE2 3.96Å; G129-Y156 WeakPolarHBondContact CA-OH 3.35Å; R130-Y156 PolarHBondContact N-OH 2.63Å; Y131-Y156 PolarHBondContact N-OH 2.81Å; Y131-Y156 PolarHBondContact O-OH 2.85Å; I134-Y156 HydrophobicContact CD1-CD1 4.3Å; I134-Y156 HydrophobicContact CD1-CE1 4.41Å; L152-Y156 WeakPolarHBondContact O-CB 3.31Å; L152-Y156 PolarHBondContact O-N 2.6Å; L153-Y156 PolarHBondContact O-N 2.94Å; Y156-T158 PolarHBondContact O-N 3.35Å; Y156-Y160 AromaticContact CD2-CD2 3.49Å; Y156-Y160 HydrophobicContact CD2-CD2 3.49Å; Y156-Y160 VanDerWaalsContact CD2-CD2 3.49Å; Y156-Y160 AromaticContact CD2-CE2 3.95Å; Y156-Y160 HydrophobicContact CD2-CE2 3.95Å; Y156-Y160 HydrophobicContact CD2-CG 4.09Å; Y156-Y160 HydrophobicContact CE2-CD1 4.37Å; Y156-Y160 AromaticContact CE2-CD2 3.65Å; Y156-Y160 HydrophobicContact CE2-CD2 3.65Å; Y156-Y160 HydrophobicContact CE2-CE2 4.12Å; Y156-Y160 AromaticContact CE2-CG 3.81Å; Y156-Y160 HydrophobicContact CE2-CG 3.81Å; Y156-Y160 HydrophobicContact CG-CD2 4.37Å; Y156-Y160 VanDerWaalsContact O-CB 3.32Å; Y156-Y160 WeakPolarHBondContact O-CB 3.41Å; Y156-Y160 PolarHBondContact O-N 3.43Å; Y156-V162 HydrophobicContact CD1-CB 4.38Å; Y156-V162 HydrophobicContact CD1-CG2 4.34Å; Y156-V162 HydrophobicContact CE1-CB 4.03Å; Y156-V162 HydrophobicContact CE1-CG1 4.11Å; Y156-V162 HydrophobicContact CE1-CG2 3.65Å
157C95.1Very high93.3Very high3 Ų353.1 Ų53.12%0.0224%0.241CC..Hα-helixtrans-63.9-38.2-179.9-76.90000113L153 H154 Q155 R161 V162 V274L153-C157 VanDerWaalsContact O-CB 3.29Å; L153-C157 WeakPolarHBondContact O-CB 3.23Å; L153-C157 PolarHBondContact O-N 3.46Å; L153-C157 PolarHBondContact O-SG 2.84Å; L153-C157 VanDerWaalsContact O-SG 3.37Å; H154-C157 PolarHBondContact O-N 3.22Å; Q155-C157 PolarHBondContact O-N 3.03Å; C157-R161 CarbonylContact O-C 3.49Å; C157-R161 WeakPolarHBondContact O-CA 3.3Å; C157-R161 PolarHBondContact O-N 3.35Å; C157-V162 WeakPolarHBondContact CB-O 3.4Å; C157-V162 PolarHBondContact O-N 3.31Å; C157-V162 PolarHBondContact SG-O 3.43Å; C157-V274 HydrophobicContact CB-CB 4.49Å; C157-V274 HydrophobicContact CB-CG1 3.98Å; C157-V274 HydrophobicContact CB-CG2 3.74Å
158T93.4Very high93.8Very high57 Ų5748.8 Ų48.835%0.3521%0.214SC..Hα-helixtrans-77-44.3179.751.30000112.1H154 Q155 Y156 V274H154-T158 WeakPolarHBondContact O-CB 3.39Å; H154-T158 WeakPolarHBondContact O-CG2 3.34Å; H154-T158 PolarHBondContact O-N 3.33Å; H154-T158 PolarHBondContact O-OG1 2.91Å; Q155-T158 PolarHBondContact O-N 2.9Å; Q155-T158 PolarHBondContact O-OG1 3.44Å; Q155-T158 VanDerWaalsContact O-OG1 3.08Å; Y156-T158 PolarHBondContact O-N 3.35Å; T158-V274 HydrophobicContact CG2-CG2 3.98Å
159E92.4Very high93.9Very high96 Ų9648.1 Ų48.145%0.44921%0.212SC..Hα-helixtrans-68.2-46.2179.8-172.6176.116800111.9Q155Q155-E159 WeakPolarHBondContact O-CB 3.27Å; Q155-E159 PolarHBondContact O-N 3.49Å
160Y92.4Very high94Very high24 Ų2447.8 Ų47.89%0.09421%0.21CC..THydrogen-bonded Turntrans-95.42.7-177.5-65.2-97.2000114.2V77 T79 T124 G127 Y156 V162V77-Y160 HydrophobicContact CG1-CD1 3.08Å; V77-Y160 HydrophobicContact CG1-CD2 4.42Å; V77-Y160 HydrophobicContact CG1-CE1 3.51Å; V77-Y160 HydrophobicContact CG1-CG 3.59Å; T79-Y160 HydrophobicContact CG2-CD1 4.21Å; T124-Y160 HydrophobicContact CG2-CE2 3.81Å; G127-Y160 PolarHBondContact O-OH 3.3Å; Y156-Y160 AromaticContact CD2-CD2 3.49Å; Y156-Y160 HydrophobicContact CD2-CD2 3.49Å; Y156-Y160 VanDerWaalsContact CD2-CD2 3.49Å; Y156-Y160 AromaticContact CD2-CE2 3.95Å; Y156-Y160 HydrophobicContact CD2-CE2 3.95Å; Y156-Y160 HydrophobicContact CD2-CG 4.09Å; Y156-Y160 HydrophobicContact CE2-CD1 4.37Å; Y156-Y160 AromaticContact CE2-CD2 3.65Å; Y156-Y160 HydrophobicContact CE2-CD2 3.65Å; Y156-Y160 HydrophobicContact CE2-CE2 4.12Å; Y156-Y160 AromaticContact CE2-CG 3.81Å; Y156-Y160 HydrophobicContact CE2-CG 3.81Å; Y156-Y160 HydrophobicContact CG-CD2 4.37Å; Y156-Y160 VanDerWaalsContact O-CB 3.32Å; Y156-Y160 WeakPolarHBondContact O-CB 3.41Å; Y156-Y160 PolarHBondContact O-N 3.43Å; Y160-V162 PolarHBondContact O-N 2.93Å
161R92.3Very high93.9Very high180 Ų18047.3 Ų47.368%0.67922%0.217SC*.THydrogen-bonded Turntrans55.235.7-178.9-57.9-176.3179.3176.10.9114C157C157-R161 CarbonylContact O-C 3.49Å; C157-R161 WeakPolarHBondContact O-CA 3.3Å; C157-R161 PolarHBondContact O-N 3.35Å
162V96.5Very high93.5Very high2 Ų250.7 Ų50.71%0.01223%0.233CC..  trans-84.5122.8-177.51750000110.4T79 Y131 I134 Y156 C157 Y160T79-V162 HydrophobicContact CG2-CG2 3.91Å; Y131-V162 WeakPolarHBondContact O-CG2 3.43Å; I134-V162 HydrophobicContact CD1-CG1 4.22Å; I134-V162 HydrophobicContact CG1-CG1 3.93Å; Y156-V162 HydrophobicContact CD1-CB 4.38Å; Y156-V162 HydrophobicContact CD1-CG2 4.34Å; Y156-V162 HydrophobicContact CE1-CB 4.03Å; Y156-V162 HydrophobicContact CE1-CG1 4.11Å; Y156-V162 HydrophobicContact CE1-CG2 3.65Å; C157-V162 WeakPolarHBondContact CB-O 3.4Å; C157-V162 PolarHBondContact O-N 3.31Å; C157-V162 PolarHBondContact SG-O 3.43Å; Y160-V162 PolarHBondContact O-N 2.93Å
163G97.4Very high93.2Very high0 Ų055.1 Ų55.10%026%0.257CS..EExtended strand (participates in β ladder)trans-80.2166.2175.800000113.7I134 R275I134-G163 PolarHBondContact N-O 3.18Å; G163-R275 WeakPolarHBondContact CA-O 3.44Å
164I98.2Very high92.9Very high1 Ų155.9 Ų55.91%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-125.3132.6178.7-59.4178.4000111.3I134 Y136 Y142 V274 R275 R276 V277 L299I134-I164 CarbonylContact O-C 3.57Å; I134-I164 VanDerWaalsContact O-CA 3.31Å; I134-I164 WeakPolarHBondContact O-CA 3.42Å; Y136-I164 HydrophobicContact CD2-CG2 3.96Å; Y136-I164 HydrophobicContact CE2-CG2 4.42Å; Y142-I164 HydrophobicContact CD2-CD1 4.15Å; Y142-I164 HydrophobicContact CE1-CD1 4.45Å; Y142-I164 HydrophobicContact CE2-CD1 3.41Å; Y142-I164 VanDerWaalsContact CE2-CD1 3.41Å; I164-V274 HydrophobicContact CD1-CG1 3.99Å; I164-V274 HydrophobicContact CG1-CG1 4.21Å; I164-R275 PolarHBondContact N-O 2.8Å; I164-R276 HydrophobicContact CB-CG 4.27Å; I164-R276 CarbonylContact O-C 3.23Å; I164-R276 WeakPolarHBondContact O-CA 3.41Å; I164-V277 PolarHBondContact O-N 3.44Å; I164-L299 WeakPolarHBondContact O-CD1 3.25Å
165I98.8Very high92.8Very high0 Ų055.4 Ų55.40%027%0.266CS..EExtended strand (participates in β ladder)trans-104.1133.8164.2-58.6179000108.5L133 I134 I135 Y136 F167 V277 F279 L292 A295 I296 L299L133-I165 HydrophobicContact CD1-CD1 4.43Å; L133-I165 HydrophobicContact CD1-CG1 4.24Å; L133-I165 HydrophobicContact CD2-CD1 4.03Å; I134-I165 PolarHBondContact O-N 2.91Å; I135-I165 CarbonylContact C-O 3.52Å; I135-I165 WeakPolarHBondContact CA-O 3.42Å; I135-I165 HydrophobicContact CB-CB 4.46Å; I135-I165 HydrophobicContact CD1-CD1 4.31Å; I135-I165 HydrophobicContact CG1-CB 4.12Å; I135-I165 HydrophobicContact CG1-CD1 4.38Å; I135-I165 HydrophobicContact CG2-CB 4.18Å; I135-I165 HydrophobicContact CG2-CG2 4.29Å; Y136-I165 PolarHBondContact N-O 3.34Å; I165-F167 HydrophobicContact CG2-CD2 4.36Å; I165-F167 HydrophobicContact CG2-CE2 3.74Å; I165-F167 HydrophobicContact CG2-CZ 4.27Å; I165-V277 WeakPolarHBondContact CA-O 3.21Å; I165-F279 HydrophobicContact CG2-CD2 3.96Å; I165-F279 HydrophobicContact CG2-CE2 3.72Å; I165-L292 HydrophobicContact CD1-CD1 3.74Å; I165-L292 HydrophobicContact CG2-CD1 4.2Å; I165-A295 HydrophobicContact CD1-CB 3.81Å; I165-A295 HydrophobicContact CG1-CB 4.44Å; I165-I296 HydrophobicContact CD1-CG1 3.88Å; I165-L299 HydrophobicContact CD1-CD1 4.26Å; I165-L299 HydrophobicContact CG1-CD1 3.52Å
166G97.9Very high92.5Very high0 Ų054.5 Ų54.50%027%0.272CS..EExtended strand (participates in β ladder)trans-132.6134.6179.700000112.3V277 L278 F279G166-V277 PolarHBondContact N-O 2.9Å; G166-L278 CarbonylContact O-C 3.59Å; G166-L278 VanDerWaalsContact O-CA 3.31Å; G166-L278 WeakPolarHBondContact O-CA 3.28Å; G166-F279 PolarHBondContact O-N 3.01Å
167F98Very high92.4Very high1 Ų158 Ų580%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-107.5137.5173.8-66.9-95.8000110.3L94 I98 I135 Y136 E137 N138 L139 I165 F279 Q281 L283 L292L94-F167 HydrophobicContact CD1-CD1 4.27Å; L94-F167 HydrophobicContact CD1-CE1 4.43Å; L94-F167 HydrophobicContact CD2-CB 3.67Å; L94-F167 HydrophobicContact CD2-CD1 4.2Å; L94-F167 HydrophobicContact CD2-CD2 4.46Å; L94-F167 HydrophobicContact CD2-CG 3.88Å; I98-F167 HydrophobicContact CD1-CD2 4.02Å; I98-F167 HydrophobicContact CD1-CE2 3.73Å; I98-F167 HydrophobicContact CD1-CZ 4.42Å; I98-F167 HydrophobicContact CG1-CE2 4.19Å; I98-F167 HydrophobicContact CG1-CZ 4.47Å; I135-F167 HydrophobicContact CG2-CD2 4.39Å; I135-F167 HydrophobicContact CG2-CE2 4Å; Y136-F167 PolarHBondContact O-N 2.95Å; E137-F167 WeakPolarHBondContact O-CB 3.46Å; N138-F167 CarbonylContact C-O 3.37Å; N138-F167 WeakPolarHBondContact CA-O 3.44Å; L139-F167 WeakPolarHBondContact CB-O 3.4Å; L139-F167 PolarHBondContact N-O 3.35Å; I165-F167 HydrophobicContact CG2-CD2 4.36Å; I165-F167 HydrophobicContact CG2-CE2 3.74Å; I165-F167 HydrophobicContact CG2-CZ 4.27Å; F167-F279 HydrophobicContact CD1-CB 3.44Å; F167-F279 VanDerWaalsContact CD1-CB 3.44Å; F167-F279 HydrophobicContact CD1-CD2 4.19Å; F167-F279 AromaticContact CD1-CG 3.86Å; F167-F279 HydrophobicContact CD1-CG 3.86Å; F167-F279 HydrophobicContact CE1-CB 3.68Å; F167-F279 AromaticContact CE1-CD1 3.98Å; F167-F279 HydrophobicContact CE1-CD1 3.98Å; F167-F279 AromaticContact CE1-CD2 3.76Å; F167-F279 HydrophobicContact CE1-CD2 3.76Å; F167-F279 HydrophobicContact CE1-CE2 4.38Å; F167-F279 AromaticContact CE1-CG 3.54Å; F167-F279 HydrophobicContact CE1-CG 3.54Å; F167-F279 HydrophobicContact CE2-CD2 4.41Å; F167-F279 HydrophobicContact CG-CB 4.19Å; F167-F279 AromaticContact CZ-CD2 3.88Å; F167-F279 HydrophobicContact CZ-CD2 3.88Å; F167-F279 HydrophobicContact CZ-CE2 4.18Å; F167-F279 HydrophobicContact CZ-CG 4.14Å; F167-Q281 WeakPolarHBondContact CD1-O 3.4Å; F167-L283 HydrophobicContact CE1-CD2 3.85Å; F167-L283 HydrophobicContact CE1-CG 4.09Å; F167-L283 HydrophobicContact CZ-CD2 4.04Å; F167-L283 HydrophobicContact CZ-CG 4.29Å; F167-L292 HydrophobicContact CZ-CD1 4.18Å; F167-L292 HydrophobicContact CZ-CD2 4.38Å
168Y95.8Very high92.2Very high5 Ų559.5 Ų59.52%0.0230%0.302CS..  trans-126.4120.4169.1-176.7-89.9000109L140 L178 L187 T189 T223 F279 G280 Q281L140-Y168 HydrophobicContact CD1-CE2 3.79Å; L140-Y168 HydrophobicContact CD2-CD2 4Å; L140-Y168 HydrophobicContact CD2-CE2 3.69Å; L140-Y168 HydrophobicContact CG-CD2 3.9Å; L140-Y168 HydrophobicContact CG-CE2 3.61Å; Y168-L178 HydrophobicContact CE2-CD2 4.07Å; Y168-L187 HydrophobicContact CD1-CD2 3.82Å; Y168-L187 HydrophobicContact CD2-CD2 4.02Å; Y168-L187 HydrophobicContact CE1-CD2 4.12Å; Y168-L187 HydrophobicContact CE2-CD2 4.31Å; Y168-L187 HydrophobicContact CG-CD2 3.75Å; Y168-T189 HydrophobicContact CE1-CG2 3.63Å; Y168-T223 HydrophobicContact CD1-CG2 3.67Å; Y168-T223 VanDerWaalsContact CD1-OG1 3.25Å; Y168-T223 WeakPolarHBondContact CD1-OG1 3.32Å; Y168-T223 HydrophobicContact CE1-CG2 4.02Å; Y168-T223 WeakPolarHBondContact CE1-OG1 3.45Å; Y168-F279 PolarHBondContact N-O 2.97Å; Y168-G280 CarbonylContact O-C 3.55Å; Y168-Q281 PolarHBondContact O-N 3.17Å
169R90.7Very high92.2Very high159 Ų15964.4 Ų64.460%0.632%0.318SS*.  trans-113.7127173.9175.7168.9-171.2-163.41.6108.4D221R169-D221 IonicContact CZ-OD2 2.72Å; R169-D221 IonicContact NE-OD2 2.67Å; R169-D221 PolarHBondContact NE-OD2 2.67Å; R169-D221 IonicContact NH2-OD2 3.74Å; R169-D221 PolarHBondContact NH2-OD2 2.91Å
170S89.8Confident92Very high2 Ų260 Ų601%0.01430%0.298CS..  trans-80.2157.4176.464.50000111.6N190 D221S170-N190 VanDerWaalsContact CB-OD1 3.23Å; S170-N190 WeakPolarHBondContact CB-OD1 3.34Å; S170-N190 PolarHBondContact OG-N 3.48Å; S170-N190 VanDerWaalsContact OG-N 3.12Å; S170-N190 PolarHBondContact OG-OD1 3.05Å; S170-D221 VanDerWaalsContact OG-C 3.26Å; S170-D221 PolarHBondContact OG-O 3.24Å
171T87.4Confident91.7Very high80 Ų8066.4 Ų66.449%0.49132%0.322SS..  trans-123.8167.1174.762.40000108.5N173 S174 N190T171-N173 PolarHBondContact O-N 2.97Å; T171-N173 VanDerWaalsContact O-N 3.07Å; T171-S174 PolarHBondContact N-OG 3.5Å; T171-S174 VanDerWaalsContact O-CB 3.23Å; T171-S174 WeakPolarHBondContact O-CB 3.32Å; T171-S174 PolarHBondContact O-N 3.47Å; T171-S174 PolarHBondContact O-OG 3.28Å; T171-S174 PolarHBondContact OG1-OG 2.86Å; T171-S174 VanDerWaalsContact OG1-OG 3.1Å; T171-N190 PolarHBondContact O-ND2 3.1Å; T171-N190 PolarHBondContact O-OD1 3.34Å
172E81Confident91.3Very high189 Ų18959.3 Ų59.388%0.88331%0.305SS*.THydrogen-bonded Turntrans-53.8-31.5176.8-65179.3179.500112.7
173N85.3Confident91Very high156 Ų15659.7 Ų59.783%0.83431%0.307SS*.THydrogen-bonded Turntrans-87.6-1.3179.2-63.7-35.7000114T171T171-N173 PolarHBondContact O-N 2.97Å; T171-N173 VanDerWaalsContact O-N 3.07Å
174S87.9Confident90.8Very high19 Ų1960.8 Ų60.813%0.13331%0.314CS..SBendtrans-70.3136.7179.9-66.90000111.1T171T171-S174 PolarHBondContact N-OG 3.5Å; T171-S174 VanDerWaalsContact O-CB 3.23Å; T171-S174 WeakPolarHBondContact O-CB 3.32Å; T171-S174 PolarHBondContact O-N 3.47Å; T171-S174 PolarHBondContact O-OG 3.28Å; T171-S174 PolarHBondContact OG1-OG 2.86Å; T171-S174 VanDerWaalsContact OG1-OG 3.1Å
175P89.6Confident90.5Very high69 Ų6960.8 Ų60.845%0.44831%0.314SS..  trans-65.6138.9177.228.5-34.4000110.3V177 L178 T189P175-V177 PolarHBondContact O-N 3.42Å; P175-V177 VanDerWaalsContact O-N 3.1Å; P175-L178 HydrophobicContact CG-CB 4.32Å; P175-L178 HydrophobicContact CG-CD1 4.23Å; P175-T189 PolarHBondContact O-OG1 3.16Å
176S88.1Confident90.4Very high93 Ų9363.9 Ų63.965%0.6533%0.329SS*.SBendtrans-55.1-32.9-176.156.70000114R188 T189S176-R188 WeakPolarHBondContact O-CA 3.34Å; S176-T189 PolarHBondContact O-N 2.94Å
177V92.1Very high90.2Very high83 Ų8363.9 Ų63.950%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-130.9128173.2-176.70000109.3P175 I186 L187P175-V177 PolarHBondContact O-N 3.42Å; P175-V177 VanDerWaalsContact O-N 3.1Å; V177-I186 HydrophobicContact CG1-CG2 3.52Å; V177-L187 CarbonylContact C-O 3.57Å; V177-L187 WeakPolarHBondContact CA-O 3.21Å
178L92.4Very high90Very high33 Ų3369.8 Ų69.817%0.17335%0.352CS..EExtended strand (participates in β ladder)trans-125.5130.1178.1-179.467.4000110.4L140 Y168 P175 L180 L187L140-L178 HydrophobicContact CD2-CD2 3.73Å; Y168-L178 HydrophobicContact CE2-CD2 4.07Å; P175-L178 HydrophobicContact CG-CB 4.32Å; P175-L178 HydrophobicContact CG-CD1 4.23Å; L178-L180 HydrophobicContact CD2-CD2 4.43Å; L178-L187 HydrophobicContact CB-CB 4.26Å; L178-L187 PolarHBondContact N-O 3.34Å; L178-L187 PolarHBondContact O-N 2.97Å
179K91.6Very high89.9Confident160 Ų16070 Ų7070%0.69635%0.354SS*.EExtended strand (participates in β ladder)trans-98.6119.9171.5-164.3174.5-175.3176.50109.1R181 I186K179-R181 PolarHBondContact O-N 3.48Å; K179-I186 HydrophobicContact CG-CG1 4.41Å
180L89.2Confident90Very high3 Ų365.5 Ų65.52%0.01634%0.341CS..PPolyproline II helixtrans-71.4131.4-178.9-75.5176.4000111L139 L140 A143 L178 G182 L183 L185 L187L139-L180 HydrophobicContact CD2-CD1 3.64Å; L139-L180 HydrophobicContact CG-CD1 4.18Å; L140-L180 HydrophobicContact CD2-CD2 3.75Å; A143-L180 HydrophobicContact CB-CD2 3.96Å; L178-L180 HydrophobicContact CD2-CD2 4.43Å; L180-G182 PolarHBondContact O-N 3.33Å; L180-L183 HydrophobicContact CB-CB 4.36Å; L180-L183 HydrophobicContact CD1-CD1 4.43Å; L180-L183 PolarHBondContact O-N 3.24Å; L180-L185 HydrophobicContact CD1-CB 4.45Å; L180-L185 HydrophobicContact CD1-CD2 4Å; L180-L185 PolarHBondContact N-O 2.89Å; L180-L185 VanDerWaalsContact N-O 3.09Å; L180-L187 HydrophobicContact CD1-CD1 3.63Å; L180-L187 HydrophobicContact CD1-CD2 4.25Å; L180-L187 HydrophobicContact CD2-CD2 4.37Å; L180-L187 HydrophobicContact CG-CD1 3.75Å; L180-L187 HydrophobicContact CG-CD2 4.27Å
181R85.1Confident90Very high160 Ų16066.8 Ų66.860%0.60435%0.347SS*.THydrogen-bonded Turntrans-63.9121.8-179.7-172.7-179.8-177.3-172.40.5110.3K179 L183K179-R181 PolarHBondContact O-N 3.48Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 3.06Å
182G84.4Confident90.2Very high30 Ų3064.1 Ų64.131%0.30933%0.334SS..THydrogen-bonded Turntrans77.58.7172.500000115.6R150 L180R150-G182 PolarHBondContact NH2-O 2.87Å; L180-G182 PolarHBondContact O-N 3.33Å
183L90.9Very high90.8Very high11 Ų1155.2 Ų55.26%0.05829%0.292CS..SBendtrans-125.7141.6169.1-63.3175.5000108.6Y142 L180 R181 L185Y142-L183 HydrophobicContact CE1-CD1 4.32Å; L180-L183 HydrophobicContact CB-CB 4.36Å; L180-L183 HydrophobicContact CD1-CD1 4.43Å; L180-L183 PolarHBondContact O-N 3.24Å; R181-L183 VanDerWaalsContact C-N 3.28Å; R181-L183 PolarHBondContact O-N 3.06Å; L183-L185 HydrophobicContact CB-CB 4.41Å; L183-L185 PolarHBondContact O-N 2.87Å
184P92.6Very high91.1Very high23 Ų2350.9 Ų50.915%0.14926%0.264CS..SBendtrans-79.356.2177.330.4-28.6000110.7S227 H229 Y232 Y271P184-S227 VanDerWaalsContact O-CB 3.29Å; P184-S227 WeakPolarHBondContact O-CB 3.44Å; P184-S227 PolarHBondContact O-OG 2.85Å; P184-H229 HydrophobicContact CB-CB 4.2Å; P184-H229 HydrophobicContact CG-CB 3.85Å; P184-Y232 HydrophobicContact CG-CE2 3.99Å; P184-Y271 HydrophobicContact CG-CD1 4.19Å; P184-Y271 HydrophobicContact CG-CD2 3.91Å; P184-Y271 HydrophobicContact CG-CE1 4.38Å; P184-Y271 HydrophobicContact CG-CE2 4.12Å; P184-Y271 HydrophobicContact CG-CG 3.95Å
185L93.2Very high91.3Very high1 Ų151.6 Ų51.61%0.00527%0.266CS..  trans-129132.6-174.7-159.368.9000111.2L180 L183 L187 F225 Y232 L278L180-L185 HydrophobicContact CD1-CB 4.45Å; L180-L185 HydrophobicContact CD1-CD2 4Å; L180-L185 PolarHBondContact N-O 2.89Å; L180-L185 VanDerWaalsContact N-O 3.09Å; L183-L185 HydrophobicContact CB-CB 4.41Å; L183-L185 PolarHBondContact O-N 2.87Å; L185-L187 HydrophobicContact CB-CD1 4.5Å; L185-L187 HydrophobicContact CD2-CD1 3.98Å; L185-L187 HydrophobicContact CG-CD1 3.96Å; L185-F225 HydrophobicContact CD1-CB 4.24Å; L185-F225 HydrophobicContact CD2-CD1 3.62Å; L185-F225 HydrophobicContact CD2-CE1 4.19Å; L185-F225 HydrophobicContact CD2-CG 4.46Å; L185-F225 HydrophobicContact CG-CD1 4.19Å; L185-Y232 HydrophobicContact CB-CE2 4.43Å; L185-Y232 HydrophobicContact CD1-CD1 4.01Å; L185-Y232 HydrophobicContact CD1-CD2 3.98Å; L185-Y232 HydrophobicContact CD1-CE1 4.14Å; L185-Y232 HydrophobicContact CD1-CE2 4.09Å; L185-Y232 HydrophobicContact CD1-CG 3.94Å; L185-Y232 HydrophobicContact CD2-CE1 4.33Å; L185-L278 HydrophobicContact CD2-CD1 3.43Å; L185-L278 VanDerWaalsContact CD2-CD1 3.43Å
186I94.8Very high91.5Very high64 Ų6448.3 Ų48.333%0.32825%0.245SC..EExtended strand (participates in β ladder)trans-115126.8176.9-58.9170.8000108.2V177 K179 S226V177-I186 HydrophobicContact CG1-CG2 3.52Å; K179-I186 HydrophobicContact CG-CG1 4.41Å; I186-S226 PolarHBondContact N-O 3.31Å; I186-S226 PolarHBondContact O-N 3.31Å; I186-S226 PolarHBondContact O-OG 2.76Å
187L94.8Very high91.8Very high0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-104131.6179.9-80.259.5000108.7Y168 V177 L178 L180 L185 T223 S224 F225Y168-L187 HydrophobicContact CD1-CD2 3.82Å; Y168-L187 HydrophobicContact CD2-CD2 4.02Å; Y168-L187 HydrophobicContact CE1-CD2 4.12Å; Y168-L187 HydrophobicContact CE2-CD2 4.31Å; Y168-L187 HydrophobicContact CG-CD2 3.75Å; V177-L187 CarbonylContact C-O 3.57Å; V177-L187 WeakPolarHBondContact CA-O 3.21Å; L178-L187 HydrophobicContact CB-CB 4.26Å; L178-L187 PolarHBondContact N-O 3.34Å; L178-L187 PolarHBondContact O-N 2.97Å; L180-L187 HydrophobicContact CD1-CD1 3.63Å; L180-L187 HydrophobicContact CD1-CD2 4.25Å; L180-L187 HydrophobicContact CD2-CD2 4.37Å; L180-L187 HydrophobicContact CG-CD1 3.75Å; L180-L187 HydrophobicContact CG-CD2 4.27Å; L185-L187 HydrophobicContact CB-CD1 4.5Å; L185-L187 HydrophobicContact CD2-CD1 3.98Å; L185-L187 HydrophobicContact CG-CD1 3.96Å; L187-T223 HydrophobicContact CB-CG2 3.75Å; L187-T223 HydrophobicContact CD2-CG2 4.04Å; L187-T223 HydrophobicContact CG-CG2 3.79Å; L187-S224 CarbonylContact C-O 3.59Å; L187-S224 WeakPolarHBondContact CA-O 3.21Å; L187-F225 HydrophobicContact CD1-CD1 3.75Å; L187-F225 HydrophobicContact CD1-CE1 4.01Å; L187-F225 HydrophobicContact CD2-CE1 4.15Å; L187-F225 HydrophobicContact CG-CD1 3.83Å; L187-F225 HydrophobicContact CG-CE1 3.82Å
188R94.3Very high92Very high126 Ų12640.1 Ų40.148%0.47519%0.191SC..EExtended strand (participates in β ladder)trans-109.5122.2169-61.8-179.4176.9-159.9-2.9108.2S176 Q191 T223 S224S176-R188 WeakPolarHBondContact O-CA 3.34Å; R188-Q191 PolarHBondContact O-OE1 3.49Å; R188-T223 CarbonylContact O-C 3.59Å; R188-T223 WeakPolarHBondContact O-CA 3.25Å; R188-S224 PolarHBondContact N-O 2.6Å; R188-S224 PolarHBondContact O-N 2.79Å
189T93.7Very high92.1Very high9 Ų939.7 Ų39.76%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-111.3169.4-166.2700000112.8Y168 P175 S176 Q191 W222 T223Y168-T189 HydrophobicContact CE1-CG2 3.63Å; P175-T189 PolarHBondContact O-OG1 3.16Å; S176-T189 PolarHBondContact O-N 2.94Å; T189-Q191 VanDerWaalsContact C-N 3.35Å; T189-Q191 PolarHBondContact O-N 3.15Å; T189-W222 CarbonylContact C-O 3.49Å; T189-T223 HydrophobicContact CG2-CG2 4.21Å
190N91.3Very high92Very high64 Ų6435.6 Ų35.634%0.34218%0.181SC..EExtended strand (participates in β ladder)trans53.949.7176.7-62.7-31.9000112.5S170 T171 E220 W222S170-N190 VanDerWaalsContact CB-OD1 3.23Å; S170-N190 WeakPolarHBondContact CB-OD1 3.34Å; S170-N190 PolarHBondContact OG-N 3.48Å; S170-N190 VanDerWaalsContact OG-N 3.12Å; S170-N190 PolarHBondContact OG-OD1 3.05Å; T171-N190 PolarHBondContact O-ND2 3.1Å; T171-N190 PolarHBondContact O-OD1 3.34Å; N190-E220 CarbonylContact C-O 3.32Å; N190-E220 VanDerWaalsContact CA-O 3.3Å; N190-E220 WeakPolarHBondContact CA-O 3.49Å; N190-W222 PolarHBondContact N-O 3.46Å
191Q90.5Very high91.8Very high29 Ų2940.6 Ų40.614%0.13621%0.212CC..EExtended strand (participates in β ladder)trans-101.7140.3-179.7-56-171.5-58.800111.4R188 T189 L193 E220 W222 S224R188-Q191 PolarHBondContact O-OE1 3.49Å; T189-Q191 VanDerWaalsContact C-N 3.35Å; T189-Q191 PolarHBondContact O-N 3.15Å; Q191-L193 HydrophobicContact CB-CD2 4.12Å; Q191-L193 HydrophobicContact CB-CG 4.21Å; Q191-E220 CarbonylContact C-O 3.57Å; Q191-E220 PolarHBondContact N-O 3.24Å; Q191-E220 VanDerWaalsContact N-O 3.13Å; Q191-E220 CarbonylContact O-C 3.54Å; Q191-E220 VanDerWaalsContact O-C 3.29Å; Q191-E220 VanDerWaalsContact O-O 3.08Å; Q191-W222 HydrophobicContact CB-CB 4.41Å; Q191-W222 PolarHBondContact N-O 3.48Å; Q191-W222 VanDerWaalsContact O-CB 3.28Å; Q191-W222 WeakPolarHBondContact O-CB 3.36Å; Q191-W222 PolarHBondContact O-N 3.28Å; Q191-S224 PolarHBondContact OE1-OG 2.92Å
192A91.4Very high92.1Very high25 Ų2533.3 Ų33.321%0.20719%0.186CC..  trans-92.2128163.100000108.8W194 E220A192-W194 VanDerWaalsContact C-CZ3 3.41Å; A192-W194 HydrophobicContact CB-CH2 3.72Å; A192-W194 HydrophobicContact CB-CZ3 3.54Å; A192-W194 WeakPolarHBondContact O-CZ3 3.23Å; A192-E220 HydrophobicContact CB-CB 4.38Å; A192-E220 HydrophobicContact CB-CG 4.07Å
193L92.9Very high92.2Very high2 Ų235.2 Ų35.21%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-127.9151.8-171.7-62.3179.6000111.6Q191 L217 W222 A238 R239 A240 T263Q191-L193 HydrophobicContact CB-CD2 4.12Å; Q191-L193 HydrophobicContact CB-CG 4.21Å; L193-L217 HydrophobicContact CB-CB 4.43Å; L193-L217 HydrophobicContact CB-CD1 3.75Å; L193-L217 HydrophobicContact CB-CG 4.17Å; L193-L217 WeakPolarHBondContact O-CB 3.45Å; L193-L217 PolarHBondContact O-N 3.34Å; L193-W222 HydrophobicContact CD1-CB 3.55Å; L193-W222 HydrophobicContact CD1-CD2 4.07Å; L193-W222 HydrophobicContact CD1-CE3 4.09Å; L193-W222 HydrophobicContact CD1-CG 3.85Å; L193-W222 HydrophobicContact CG-CB 4.04Å; L193-W222 HydrophobicContact CG-CG 4.27Å; L193-A238 HydrophobicContact CB-CB 4.11Å; L193-A238 HydrophobicContact CD1-CB 4.14Å; L193-R239 CarbonylContact C-O 3.02Å; L193-R239 WeakPolarHBondContact CA-O 3.27Å; L193-A240 HydrophobicContact CD2-CB 4.32Å; L193-T263 HydrophobicContact CD1-CG2 3.39Å
194W92.8Very high92.3Very high64 Ų6434.8 Ų34.824%0.24219%0.19CC..EExtended strand (participates in β ladder)trans-132.5158.9179.2-77.3-101.1000110.5A192 G215 A216 R239 K241A192-W194 VanDerWaalsContact C-CZ3 3.41Å; A192-W194 HydrophobicContact CB-CH2 3.72Å; A192-W194 HydrophobicContact CB-CZ3 3.54Å; A192-W194 WeakPolarHBondContact O-CZ3 3.23Å; W194-G215 CarbonylContact C-O 3.56Å; W194-G215 VanDerWaalsContact CA-O 3.23Å; W194-G215 WeakPolarHBondContact CA-O 3.38Å; W194-A216 VanDerWaalsContact CD1-CA 3.49Å; W194-A216 HydrophobicContact CZ2-CB 4.41Å; W194-R239 PolarHBondContact N-O 2.93Å; W194-R239 WeakPolarHBondContact O-CB 3.35Å; W194-R239 PolarHBondContact O-N 2.75Å; W194-K241 HydrophobicContact CE3-CB 4Å; W194-K241 HydrophobicContact CE3-CG 4.2Å; W194-K241 HydrophobicContact CH2-CB 4.01Å; W194-K241 HydrophobicContact CH2-CD 3.54Å; W194-K241 HydrophobicContact CH2-CG 3.65Å; W194-K241 HydrophobicContact CZ2-CD 4.38Å; W194-K241 HydrophobicContact CZ2-CG 4.39Å; W194-K241 HydrophobicContact CZ3-CB 3.39Å; W194-K241 HydrophobicContact CZ3-CD 3.86Å; W194-K241 HydrophobicContact CZ3-CG 3.54Å
195D91.9Very high92.4Very high34 Ų3435.2 Ų35.218%0.18219%0.191CC..EExtended strand (participates in β ladder)trans4978169-56.1-39.5000113.2D213 R214 G215 R239D195-D213 CarbonylContact C-O 3.56Å; D195-D213 VanDerWaalsContact CA-O 3.25Å; D195-D213 WeakPolarHBondContact CA-O 3.39Å; D195-R214 WeakPolarHBondContact OD1-CA 3.12Å; D195-G215 PolarHBondContact N-O 2.87Å; D195-G215 PolarHBondContact OD1-N 2.92Å; D195-R239 IonicContact OD2-CZ 3.25Å; D195-R239 VanDerWaalsContact OD2-CZ 3.25Å; D195-R239 IonicContact OD2-NE 3.34Å; D195-R239 PolarHBondContact OD2-NE 2.89Å; D195-R239 IonicContact OD2-NH2 3.44Å; D195-R239 PolarHBondContact OD2-NH2 3.31Å
196C94.4Very high92.4Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-84.5126.2179.2-172.30000110.6T212 D213 L217 L237 A238 Y285C196-T212 CarbonylContact O-C 3.53Å; C196-T212 WeakPolarHBondContact O-CA 3.46Å; C196-D213 PolarHBondContact N-O 3.26Å; C196-D213 PolarHBondContact O-N 2.87Å; C196-L217 HydrophobicContact CB-CD1 4.07Å; C196-L217 HydrophobicContact CB-CD2 3.83Å; C196-L237 CarbonylContact C-O 3.43Å; C196-L237 WeakPolarHBondContact CA-O 3.38Å; C196-A238 HydrophobicContact CB-CB 4.36Å; C196-Y285 HydrophobicContact CB-CE1 4.22Å; C196-Y285 WeakPolarHBondContact CB-OH 3.24Å
197C94.1Very high92.4Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-115141.6178.5680000112C52 G211 T212 L236 L237C52-C197 HydrophobicContact CB-CB 3.86Å; C52-C197 WeakPolarHBondContact CB-SG 3.23Å; C52-C197 WeakPolarHBondContact SG-CB 3.34Å; C52-C197 CovalentContact SG-SG 2.02Å; C52-C197 PolarHBondContact SG-SG 3.26Å; C197-G211 WeakPolarHBondContact CA-O 3.46Å; C197-T212 HydrophobicContact CB-CG2 4.22Å; C197-L236 WeakPolarHBondContact O-CA 3.27Å; C197-L237 PolarHBondContact N-O 3.48Å; C197-L237 PolarHBondContact O-N 2.78Å; C197-L237 VanDerWaalsContact SG-CB 3.58Å; C197-L237 PolarHBondContact SG-O 2.87Å
198V95.8Very high92.6Very high4 Ų435 Ų352%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-87.2124.9173.91800000109.1S200 L205 T208 G211 L236 L287 W551V198-S200 PolarHBondContact O-N 3.31Å; V198-L205 HydrophobicContact CG1-CD1 3.58Å; V198-L205 HydrophobicContact CG1-CD2 3.87Å; V198-L205 HydrophobicContact CG1-CG 4.41Å; V198-T208 HydrophobicContact CG1-CG2 4.03Å; V198-T208 HydrophobicContact CG2-CG2 4.27Å; V198-G211 PolarHBondContact N-O 2.9Å; V198-L236 HydrophobicContact CB-CD2 4.17Å; V198-L236 HydrophobicContact CG1-CD2 4.47Å; V198-L236 HydrophobicContact CG2-CD2 3.67Å; V198-L287 HydrophobicContact CG2-CD1 4.23Å; V198-L287 HydrophobicContact CG2-CD2 4.04Å; V198-W551 HydrophobicContact CG2-CZ3 4.1Å
199V93.6Very high92.6Very high25 Ų2531.9 Ų31.915%0.15218%0.179CC..  trans-76111.7-177.3178.80000110.6T201 S202 L205 A234 V235 L237V199-T201 VanDerWaalsContact C-N 3.26Å; V199-T201 WeakPolarHBondContact CG1-OG1 3.17Å; V199-T201 PolarHBondContact O-N 2.67Å; V199-S202 WeakPolarHBondContact O-CB 3.03Å; V199-S202 PolarHBondContact O-N 3.01Å; V199-S202 VanDerWaalsContact O-N 3.16Å; V199-L205 VanDerWaalsContact O-CD1 3.25Å; V199-L205 WeakPolarHBondContact O-CD1 3.13Å; V199-A234 HydrophobicContact CG2-CB 4.23Å; V199-V235 PolarHBondContact N-O 2.9Å; V199-L237 HydrophobicContact CG2-CD1 3.72Å; V199-L237 HydrophobicContact CG2-CG 3.89Å
200S89.5Confident92.6Very high73 Ų7334.4 Ų34.451%0.5120%0.195SC..THydrogen-bonded Turntrans-64.9-23.1-171.858.90000115.5V198 S202V198-S200 PolarHBondContact O-N 3.31Å; S200-S202 VanDerWaalsContact C-N 3.31Å
201T86.8Confident92.6Very high109 Ų10932 Ų3267%0.66919%0.186SC*.THydrogen-bonded Turntrans-86-2.1-179.852.90000113.4V199 P203V199-T201 VanDerWaalsContact C-N 3.26Å; V199-T201 WeakPolarHBondContact CG1-OG1 3.17Å; V199-T201 PolarHBondContact O-N 2.67Å; T201-P203 WeakPolarHBondContact O-CD 3.22Å
202S89.7Confident92.8Very high7 Ų732 Ų325%0.04919%0.188CC..  trans-70.2120.3-176.71770000111.6V199 S200 L204 L205 Q266V199-S202 WeakPolarHBondContact O-CB 3.03Å; V199-S202 PolarHBondContact O-N 3.01Å; V199-S202 VanDerWaalsContact O-N 3.16Å; S200-S202 VanDerWaalsContact C-N 3.31Å; S202-L204 PolarHBondContact O-N 3.28Å; S202-L204 PolarHBondContact OG-N 3.22Å; S202-L205 PolarHBondContact O-N 3.41Å; S202-Q266 PolarHBondContact OG-OE1 2.77Å
203P88.1Confident92.9Very high69 Ų6932.7 Ų32.745%0.44819%0.188SC..THydrogen-bonded Turntrans-67.3-10.4176.829.9-38.3000113.9T201 L205 Y298T201-P203 WeakPolarHBondContact O-CD 3.22Å; P203-L205 VanDerWaalsContact C-N 3.33Å; P203-Y298 HydrophobicContact CB-CE2 4.4Å
204L92.4Very high92.8Very high3 Ų340 Ų402%0.01622%0.216CC..THydrogen-bonded Turntrans-69.9-30.6175.1177.8151.6000112.2S202 H206 V235 V277 I291 D294 A295 Y298S202-L204 PolarHBondContact O-N 3.28Å; S202-L204 PolarHBondContact OG-N 3.22Å; L204-H206 PolarHBondContact O-N 3.19Å; L204-V235 HydrophobicContact CD1-CG2 4.36Å; L204-V235 HydrophobicContact CD2-CG1 4.12Å; L204-V277 HydrophobicContact CD1-CB 4.38Å; L204-V277 HydrophobicContact CD1-CG1 3.97Å; L204-V277 HydrophobicContact CD1-CG2 3.44Å; L204-V277 VanDerWaalsContact CD1-CG2 3.44Å; L204-I291 HydrophobicContact CD2-CG2 4.05Å; L204-D294 HydrophobicContact CD2-CB 3.48Å; L204-D294 VanDerWaalsContact CD2-CB 3.48Å; L204-D294 HydrophobicContact CG-CB 4.33Å; L204-A295 HydrophobicContact CD1-CB 4.06Å; L204-Y298 HydrophobicContact CB-CD2 4.47Å; L204-Y298 HydrophobicContact CB-CG 4.33Å; L204-Y298 HydrophobicContact CG-CG 4.4Å
205L94.4Very high92.7Very high32 Ų3238.6 Ų38.617%0.16822%0.221CC..  trans-71.1116.6-172.4-52.7178.5000110.7V198 V199 S202 P203 T208 V235 I291V198-L205 HydrophobicContact CG1-CD1 3.58Å; V198-L205 HydrophobicContact CG1-CD2 3.87Å; V198-L205 HydrophobicContact CG1-CG 4.41Å; V199-L205 VanDerWaalsContact O-CD1 3.25Å; V199-L205 WeakPolarHBondContact O-CD1 3.13Å; S202-L205 PolarHBondContact O-N 3.41Å; P203-L205 VanDerWaalsContact C-N 3.33Å; L205-T208 HydrophobicContact CD2-CG2 4.27Å; L205-V235 HydrophobicContact CD2-CG1 4.25Å; L205-I291 HydrophobicContact CD2-CD1 3.66Å
206H93.3Very high92.6Very high52 Ų5240.3 Ų40.324%0.24124%0.24CC..SBendtrans-121.5-53.6173.8177.845.3000110.8L204 D294 N553L204-H206 PolarHBondContact O-N 3.19Å; H206-D294 PolarHBondContact N-OD1 3.33Å; H206-D294 PolarHBondContact N-OD2 2.93Å; H206-N553 PolarHBondContact O-ND2 3.48Å
207L95.8Very high92.6Very high6 Ų640.8 Ų40.83%0.03124%0.242CC..SBendtrans-84.8-40.9175.9-174.5151.4000111L290 V293 D294 L308 L517 T552 N553 L554L207-L290 HydrophobicContact CD2-CD1 3.34Å; L207-L290 HydrophobicContact CD2-CG 4.08Å; L207-V293 HydrophobicContact CD1-CG1 4.34Å; L207-D294 VanDerWaalsContact CB-OD1 3.24Å; L207-D294 WeakPolarHBondContact CB-OD1 3.29Å; L207-D294 PolarHBondContact N-OD1 2.75Å; L207-L308 HydrophobicContact CB-CD2 4.5Å; L207-L517 HydrophobicContact CD1-CD1 3.59Å; L207-L517 HydrophobicContact CD2-CD1 3.32Å; L207-L517 HydrophobicContact CG-CD1 4.08Å; L207-T552 HydrophobicContact CD2-CG2 3.87Å; L207-T552 CarbonylContact O-C 3.56Å; L207-T552 VanDerWaalsContact O-CA 3.23Å; L207-T552 WeakPolarHBondContact O-CA 3.28Å; L207-N553 PolarHBondContact O-N 2.82Å; L207-L554 HydrophobicContact CD1-CD2 3.96Å; L207-L554 HydrophobicContact CG-CD2 4.22Å; L207-L554 HydrophobicContact CG-CG 4.48Å
208T97.3Very high92.5Very high2 Ų244.1 Ų44.11%0.01226%0.264CS..BIsolated β-bridgetrans-73.3138.4-175.2-520000112V198 L205 L290 I291 D294V198-T208 HydrophobicContact CG1-CG2 4.03Å; V198-T208 HydrophobicContact CG2-CG2 4.27Å; L205-T208 HydrophobicContact CD2-CG2 4.27Å; T208-L290 HydrophobicContact CG2-CD2 3.61Å; T208-L290 HydrophobicContact CG2-CG 4.29Å; T208-L290 WeakPolarHBondContact OG1-CG 3.31Å; T208-I291 HydrophobicContact CG2-CD1 4.03Å; T208-D294 WeakPolarHBondContact CB-OD2 3.45Å; T208-D294 PolarHBondContact N-OD2 2.74Å; T208-D294 PolarHBondContact OG1-OD2 2.82Å
209K95.6Very high92.2Very high60 Ų6046.1 Ų46.126%0.26129%0.285SS..PPolyproline II helixtrans-94.1147.6167.4-79.4178.2174.3150.50111.6R549 W551 T552 N553K209-R549 PolarHBondContact NZ-O 3.38Å; K209-W551 PolarHBondContact N-O 2.83Å; K209-T552 WeakPolarHBondContact CD-O 3.27Å; K209-T552 WeakPolarHBondContact CE-O 3.34Å; K209-T552 PolarHBondContact NZ-O 2.98Å; K209-N553 WeakPolarHBondContact CE-OD1 3.37Å; K209-N553 WeakPolarHBondContact CG-OD1 3.29Å
210P93.4Very high92Very high62 Ų6251.5 Ų51.540%0.40331%0.309SS..PPolyproline II helixtrans-60.3139.7169-2134000111.4
211G91.8Very high92.1Very high15 Ų1549.5 Ų49.516%0.15529%0.292CS..  trans-175.1175.3-177.500000111.5C197 V198C197-G211 WeakPolarHBondContact CA-O 3.46Å; V198-G211 PolarHBondContact N-O 2.9Å
212T93.3Very high92.5Very high27 Ų2744.3 Ų44.317%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-131118.8176.3-54.10000110C196 C197 R214C196-T212 CarbonylContact O-C 3.53Å; C196-T212 WeakPolarHBondContact O-CA 3.46Å; C197-T212 HydrophobicContact CB-CG2 4.22Å; T212-R214 HydrophobicContact CG2-CG 4.11Å
213D93.3Very high92.8Very high41 Ų4144 Ų4422%0.21926%0.258CS..EExtended strand (participates in β ladder)trans-88.8106.4174.8-175.229.8000107.7D195 C196 Y285 W286 L287 W551D195-D213 CarbonylContact C-O 3.56Å; D195-D213 VanDerWaalsContact CA-O 3.25Å; D195-D213 WeakPolarHBondContact CA-O 3.39Å; C196-D213 PolarHBondContact N-O 3.26Å; C196-D213 PolarHBondContact O-N 2.87Å; D213-Y285 WeakPolarHBondContact CB-OH 3.27Å; D213-Y285 VanDerWaalsContact OD2-CE2 3.31Å; D213-Y285 WeakPolarHBondContact OD2-CE2 3.16Å; D213-Y285 PolarHBondContact OD2-OH 2.84Å; D213-W286 HydrophobicContact CB-CZ2 4.14Å; D213-W286 PolarHBondContact OD2-NE1 2.86Å; D213-L287 HydrophobicContact CB-CD1 4.2Å; D213-W551 HydrophobicContact CB-CH2 3.97Å; D213-W551 HydrophobicContact CB-CZ2 4.23Å
214R91.8Very high93.2Very high156 Ų15640.9 Ų40.959%0.58924%0.238SC*.EExtended strand (participates in β ladder)trans-89.7142.1-170.1-64-178.6-176-117.62.3111.3D195 T212D195-R214 WeakPolarHBondContact OD1-CA 3.12Å; T212-R214 HydrophobicContact CG2-CG 4.11Å
215G89.9Confident93.3Very high33 Ų3341 Ų4134%0.3424%0.239SC..EExtended strand (participates in β ladder)trans114.2-172.3-18000000113.3W194 D195W194-G215 CarbonylContact C-O 3.56Å; W194-G215 VanDerWaalsContact CA-O 3.23Å; W194-G215 WeakPolarHBondContact CA-O 3.38Å; D195-G215 PolarHBondContact N-O 2.87Å; D195-G215 PolarHBondContact OD1-N 2.92Å
216A91.4Very high93.3Very high70 Ų7041.1 Ų41.158%0.57924%0.242SC*.EExtended strand (participates in β ladder)trans-72.7135179.900000110.8W194W194-A216 VanDerWaalsContact CD1-CA 3.49Å; W194-A216 HydrophobicContact CZ2-CB 4.41Å
217L93.2Very high93.3Very high11 Ų1140.1 Ų40.16%0.05824%0.241CC..PPolyproline II helixtrans-74.9152.4170.4-59.5-166.6000110.5L193 C196 G219 W222 A238 Y285L193-L217 HydrophobicContact CB-CB 4.43Å; L193-L217 HydrophobicContact CB-CD1 3.75Å; L193-L217 HydrophobicContact CB-CG 4.17Å; L193-L217 WeakPolarHBondContact O-CB 3.45Å; L193-L217 PolarHBondContact O-N 3.34Å; C196-L217 HydrophobicContact CB-CD1 4.07Å; C196-L217 HydrophobicContact CB-CD2 3.83Å; L217-G219 PolarHBondContact O-N 3.4Å; L217-W222 HydrophobicContact CB-CZ2 3.79Å; L217-W222 HydrophobicContact CD1-CD2 4.31Å; L217-W222 HydrophobicContact CD1-CE3 4.37Å; L217-W222 HydrophobicContact CD1-CH2 4Å; L217-W222 HydrophobicContact CD1-CZ2 3.93Å; L217-W222 HydrophobicContact CD1-CZ3 4.2Å; L217-W222 HydrophobicContact CG-CZ2 4.44Å; L217-A238 HydrophobicContact CD1-CB 3.97Å; L217-Y285 HydrophobicContact CD2-CE1 4.37Å; L217-Y285 HydrophobicContact CD2-CE2 3.94Å
218P91.8Very high92.9Very high69 Ų6947.1 Ų47.145%0.44828%0.278SS..SBendtrans-67.8124.3-178.126.1-34.4000111.4W222 Y285P218-W222 HydrophobicContact CG-CZ2 4.21Å; P218-W222 PolarHBondContact O-NE1 2.96Å; P218-Y285 HydrophobicContact CG-CD2 3.93Å; P218-Y285 HydrophobicContact CG-CG 4.39Å
219G89.9Confident92.7Very high46 Ų4649.9 Ų49.947%0.47429%0.291SS..  trans81.9176.9176.900000114.7L217L217-G219 PolarHBondContact O-N 3.4Å
220E89.4Confident92.6Very high138 Ų13851.4 Ų51.465%0.64531%0.309SS*.SBendtrans-122.28.7179.1-56.5-168.915500112.1N190 Q191 A192 W222N190-E220 CarbonylContact C-O 3.32Å; N190-E220 VanDerWaalsContact CA-O 3.3Å; N190-E220 WeakPolarHBondContact CA-O 3.49Å; Q191-E220 CarbonylContact C-O 3.57Å; Q191-E220 PolarHBondContact N-O 3.24Å; Q191-E220 VanDerWaalsContact N-O 3.13Å; Q191-E220 CarbonylContact O-C 3.54Å; Q191-E220 VanDerWaalsContact O-C 3.29Å; Q191-E220 VanDerWaalsContact O-O 3.08Å; A192-E220 HydrophobicContact CB-CB 4.38Å; A192-E220 HydrophobicContact CB-CG 4.07Å; E220-W222 VanDerWaalsContact C-N 3.32Å; E220-W222 PolarHBondContact O-N 3.21Å
221D92.3Very high92.6Very high32 Ų3248.4 Ų48.417%0.17129%0.29CS..  trans-95.331.1-179.159.6-34.2000112.4R169 S170 Q281R169-D221 IonicContact CZ-OD2 2.72Å; R169-D221 IonicContact NE-OD2 2.67Å; R169-D221 PolarHBondContact NE-OD2 2.67Å; R169-D221 IonicContact NH2-OD2 3.74Å; R169-D221 PolarHBondContact NH2-OD2 2.91Å; S170-D221 VanDerWaalsContact OG-C 3.26Å; S170-D221 PolarHBondContact OG-O 3.24Å; D221-Q281 PolarHBondContact O-NE2 3.07Å; D221-Q281 VanDerWaalsContact O-NE2 3.13Å; D221-Q281 PolarHBondContact OD1-NE2 3.44Å; D221-Q281 PolarHBondContact OD2-NE2 2.97Å
222W95Very high92.7Very high0 Ų048.6 Ų48.60%029%0.286CS..EExtended strand (participates in β ladder)trans-77.8147178.4-70.377.7000112.2T189 N190 Q191 L193 L217 P218 E220 T263 Q281 Y285 H288T189-W222 CarbonylContact C-O 3.49Å; N190-W222 PolarHBondContact N-O 3.46Å; Q191-W222 HydrophobicContact CB-CB 4.41Å; Q191-W222 PolarHBondContact N-O 3.48Å; Q191-W222 VanDerWaalsContact O-CB 3.28Å; Q191-W222 WeakPolarHBondContact O-CB 3.36Å; Q191-W222 PolarHBondContact O-N 3.28Å; L193-W222 HydrophobicContact CD1-CB 3.55Å; L193-W222 HydrophobicContact CD1-CD2 4.07Å; L193-W222 HydrophobicContact CD1-CE3 4.09Å; L193-W222 HydrophobicContact CD1-CG 3.85Å; L193-W222 HydrophobicContact CG-CB 4.04Å; L193-W222 HydrophobicContact CG-CG 4.27Å; L217-W222 HydrophobicContact CB-CZ2 3.79Å; L217-W222 HydrophobicContact CD1-CD2 4.31Å; L217-W222 HydrophobicContact CD1-CE3 4.37Å; L217-W222 HydrophobicContact CD1-CH2 4Å; L217-W222 HydrophobicContact CD1-CZ2 3.93Å; L217-W222 HydrophobicContact CD1-CZ3 4.2Å; L217-W222 HydrophobicContact CG-CZ2 4.44Å; P218-W222 HydrophobicContact CG-CZ2 4.21Å; P218-W222 PolarHBondContact O-NE1 2.96Å; E220-W222 VanDerWaalsContact C-N 3.32Å; E220-W222 PolarHBondContact O-N 3.21Å; W222-T263 HydrophobicContact CE3-CG2 3.98Å; W222-T263 HydrophobicContact CZ3-CG2 4.26Å; W222-Q281 HydrophobicContact CD2-CB 4.1Å; W222-Q281 HydrophobicContact CD2-CG 4.35Å; W222-Q281 HydrophobicContact CE3-CB 3.78Å; W222-Q281 HydrophobicContact CE3-CG 4.48Å; W222-Q281 HydrophobicContact CH2-CB 4.13Å; W222-Q281 HydrophobicContact CH2-CG 4.41Å; W222-Q281 HydrophobicContact CZ2-CB 4.42Å; W222-Q281 HydrophobicContact CZ2-CG 4.28Å; W222-Q281 HydrophobicContact CZ3-CB 3.81Å; W222-Y285 AromaticContact CH2-CD1 3.58Å; W222-Y285 HydrophobicContact CH2-CD1 3.58Å; W222-Y285 HydrophobicContact CH2-CE1 4.29Å; W222-Y285 AromaticContact CH2-CG 3.8Å; W222-Y285 HydrophobicContact CH2-CG 3.8Å; W222-Y285 HydrophobicContact CZ2-CD1 4.33Å; W222-Y285 HydrophobicContact CZ2-CG 4.14Å; W222-H288 AromaticContact CH2-CE1 3.77Å; W222-H288 AromaticContact CH2-NE2 3.81Å; W222-H288 AromaticContact CZ3-CE1 3.44Å; W222-H288 VanDerWaalsContact CZ3-CE1 3.44Å; W222-H288 WeakPolarHBondContact CZ3-CE1 3.22Å; W222-H288 AromaticContact CZ3-NE2 3.47Å; W222-H288 WeakPolarHBondContact CZ3-NE2 3.35Å
223T95.7Very high92.8Very high0 Ų051.4 Ų51.40%030%0.297CS..EExtended strand (participates in β ladder)trans-115.4133.7169.9-61.10000110.6Y168 L187 R188 T189 G280Y168-T223 HydrophobicContact CD1-CG2 3.67Å; Y168-T223 VanDerWaalsContact CD1-OG1 3.25Å; Y168-T223 WeakPolarHBondContact CD1-OG1 3.32Å; Y168-T223 HydrophobicContact CE1-CG2 4.02Å; Y168-T223 WeakPolarHBondContact CE1-OG1 3.45Å; L187-T223 HydrophobicContact CB-CG2 3.75Å; L187-T223 HydrophobicContact CD2-CG2 4.04Å; L187-T223 HydrophobicContact CG-CG2 3.79Å; R188-T223 CarbonylContact O-C 3.59Å; R188-T223 WeakPolarHBondContact O-CA 3.25Å; T189-T223 HydrophobicContact CG2-CG2 4.21Å; T223-G280 WeakPolarHBondContact CB-O 3.31Å; T223-G280 PolarHBondContact N-O 3.29Å; T223-G280 WeakPolarHBondContact O-CA 3.27Å
224S95.6Very high92.9Very high4 Ų450 Ų503%0.02829%0.291CS..EExtended strand (participates in β ladder)trans-108.6151.7168.262.10000112.5L187 R188 Q191 Q261 A262L187-S224 CarbonylContact C-O 3.59Å; L187-S224 WeakPolarHBondContact CA-O 3.21Å; R188-S224 PolarHBondContact N-O 2.6Å; R188-S224 PolarHBondContact O-N 2.79Å; Q191-S224 PolarHBondContact OE1-OG 2.92Å; S224-Q261 PolarHBondContact OG-OE1 2.74Å; S224-A262 CarbonylContact C-O 3.58Å; S224-A262 WeakPolarHBondContact CA-O 3.4Å; S224-A262 WeakPolarHBondContact CB-O 3.21Å
225F95.9Very high93.1Very high6 Ų642.6 Ų42.63%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-107.2139.5-178.2-57.1-77.6000110.9L185 L187 A262 T263 V265 L278 G280L185-F225 HydrophobicContact CD1-CB 4.24Å; L185-F225 HydrophobicContact CD2-CD1 3.62Å; L185-F225 HydrophobicContact CD2-CE1 4.19Å; L185-F225 HydrophobicContact CD2-CG 4.46Å; L185-F225 HydrophobicContact CG-CD1 4.19Å; L187-F225 HydrophobicContact CD1-CD1 3.75Å; L187-F225 HydrophobicContact CD1-CE1 4.01Å; L187-F225 HydrophobicContact CD2-CE1 4.15Å; L187-F225 HydrophobicContact CG-CD1 3.83Å; L187-F225 HydrophobicContact CG-CE1 3.82Å; F225-A262 WeakPolarHBondContact CD2-O 3.24Å; F225-A262 PolarHBondContact N-O 3.35Å; F225-T263 WeakPolarHBondContact CE2-O 3.27Å; F225-V265 HydrophobicContact CB-CG1 3.7Å; F225-V265 HydrophobicContact CB-CG2 3.98Å; F225-V265 HydrophobicContact CD1-CG2 4.36Å; F225-V265 HydrophobicContact CD2-CG1 4.13Å; F225-V265 HydrophobicContact CD2-CG2 3.89Å; F225-V265 HydrophobicContact CE2-CG2 4.45Å; F225-V265 HydrophobicContact CG-CG1 4.22Å; F225-V265 HydrophobicContact CG-CG2 3.82Å; F225-L278 HydrophobicContact CE1-CB 4.23Å; F225-L278 HydrophobicContact CE2-CB 4.38Å; F225-L278 HydrophobicContact CZ-CB 3.97Å; F225-G280 VanDerWaalsContact CE2-N 3.31Å
226S94Very high93.5Very high34 Ų3441 Ų4124%0.23825%0.247CC..EExtended strand (participates in β ladder)trans-139142.4170.8570000110I186I186-S226 PolarHBondContact N-O 3.31Å; I186-S226 PolarHBondContact O-N 3.31Å; I186-S226 PolarHBondContact O-OG 2.76Å
227S92.6Very high93.7Very high30 Ų3038.7 Ų38.721%0.2123%0.225CC..  trans-144150.3177.5-175.30000109.8P184 H229 Y232P184-S227 VanDerWaalsContact O-CB 3.29Å; P184-S227 WeakPolarHBondContact O-CB 3.44Å; P184-S227 PolarHBondContact O-OG 2.85Å; S227-H229 PolarHBondContact OG-N 2.79Å; S227-Y232 VanDerWaalsContact OG-CD2 3.29Å; S227-Y232 WeakPolarHBondContact OG-CD2 3.5Å
228N88.6Confident93.7Very high154 Ų15438.2 Ų38.282%0.82422%0.222SC*.SBendtrans-94.40.2168.165-13.4000112.6
229H93.1Very high93.7Very high59 Ų5940.6 Ų40.627%0.27322%0.222SC..SBendtrans-102.6135.3-179.2-163.7-74000110.9P184 S227 T231 Y232 Y271P184-H229 HydrophobicContact CB-CB 4.2Å; P184-H229 HydrophobicContact CG-CB 3.85Å; S227-H229 PolarHBondContact OG-N 2.79Å; H229-T231 HydrophobicContact CB-CG2 4.36Å; H229-T231 VanDerWaalsContact ND1-CB 3.34Å; H229-T231 WeakPolarHBondContact ND1-CB 3.33Å; H229-T231 WeakPolarHBondContact ND1-CG2 3.36Å; H229-T231 PolarHBondContact ND1-N 3.2Å; H229-T231 VanDerWaalsContact ND1-N 3.11Å; H229-T231 PolarHBondContact O-N 2.8Å; H229-Y232 PolarHBondContact O-N 3.48Å; H229-Y271 AromaticContact CD2-CD2 3.83Å; H229-Y271 AromaticContact NE2-CD2 3.75Å
230S91.9Very high93.5Very high92 Ų9239.8 Ų39.864%0.64321%0.211SC*.THydrogen-bonded Turntrans-67.80.9-178.556.90000115.5Y232S230-Y232 VanDerWaalsContact C-N 3.33Å
231T93.7Very high92.7Very high0 Ų039.1 Ų39.10%021%0.206CC..THydrogen-bonded Turntrans-75.7-28.4178.9-163.10000111.3H229 D267 M268 G269 L270H229-T231 HydrophobicContact CB-CG2 4.36Å; H229-T231 VanDerWaalsContact ND1-CB 3.34Å; H229-T231 WeakPolarHBondContact ND1-CB 3.33Å; H229-T231 WeakPolarHBondContact ND1-CG2 3.36Å; H229-T231 PolarHBondContact ND1-N 3.2Å; H229-T231 VanDerWaalsContact ND1-N 3.11Å; H229-T231 PolarHBondContact O-N 2.8Å; T231-D267 WeakPolarHBondContact CB-OD1 3.3Å; T231-D267 VanDerWaalsContact CG2-OD1 3.29Å; T231-D267 WeakPolarHBondContact CG2-OD1 3.41Å; T231-D267 WeakPolarHBondContact O-CA 3.5Å; T231-D267 PolarHBondContact OG1-OD1 3.33Å; T231-M268 PolarHBondContact O-N 3.39Å; T231-M268 PolarHBondContact OG1-N 3.4Å; T231-G269 PolarHBondContact OG1-N 2.88Å; T231-L270 PolarHBondContact OG1-N 2.9Å
232Y95.2Very high90.9Very high19 Ų1946.6 Ų46.68%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-92.7128.6-178.6-64.2-75.8000110.8P184 L185 S227 H229 S230 V265 Q266 D267 L278P184-Y232 HydrophobicContact CG-CE2 3.99Å; L185-Y232 HydrophobicContact CB-CE2 4.43Å; L185-Y232 HydrophobicContact CD1-CD1 4.01Å; L185-Y232 HydrophobicContact CD1-CD2 3.98Å; L185-Y232 HydrophobicContact CD1-CE1 4.14Å; L185-Y232 HydrophobicContact CD1-CE2 4.09Å; L185-Y232 HydrophobicContact CD1-CG 3.94Å; L185-Y232 HydrophobicContact CD2-CE1 4.33Å; S227-Y232 VanDerWaalsContact OG-CD2 3.29Å; S227-Y232 WeakPolarHBondContact OG-CD2 3.5Å; H229-Y232 PolarHBondContact O-N 3.48Å; S230-Y232 VanDerWaalsContact C-N 3.33Å; Y232-V265 HydrophobicContact CD1-CG2 4.25Å; Y232-Q266 CarbonylContact C-O 3.56Å; Y232-Q266 VanDerWaalsContact CA-O 3.27Å; Y232-Q266 WeakPolarHBondContact CA-O 3.48Å; Y232-D267 HydrophobicContact CD1-CB 3.82Å; Y232-D267 HydrophobicContact CE1-CB 3.51Å; Y232-D267 PolarHBondContact OH-OD2 3.39Å; Y232-L278 HydrophobicContact CE1-CD1 4.3Å
233Q95Very high88.8Confident85 Ų8550.3 Ų50.340%0.39728%0.279SS..EExtended strand (participates in β ladder)trans-126.6140.9173.6-64.8-179.7-1600109.5V265 Q266Q233-V265 CarbonylContact O-C 3.58Å; Q233-V265 VanDerWaalsContact O-CA 3.29Å; Q233-V265 WeakPolarHBondContact O-CA 3.37Å; Q233-Q266 HydrophobicContact CB-CG 3.87Å; Q233-Q266 PolarHBondContact N-O 2.89Å; Q233-Q266 WeakPolarHBondContact O-CG 3.37Å; Q233-Q266 PolarHBondContact O-N 2.92Å
234A95.2Very high86.1Confident12 Ų1255 Ų5510%0.09932%0.317CS..EExtended strand (participates in β ladder)trans-71.2137.5176.800000110.8V199 L237 F256 A262V199-A234 HydrophobicContact CG2-CB 4.23Å; A234-L237 HydrophobicContact CB-CD1 4.46Å; A234-L237 HydrophobicContact CB-CD2 3.64Å; A234-L237 HydrophobicContact CB-CG 3.88Å; A234-F256 HydrophobicContact CB-CE1 4.19Å; A234-A262 HydrophobicContact CB-CB 3.83Å
235V96.8Very high83.3Confident0 Ų058.1 Ų58.10%035%0.35CS..EExtended strand (participates in β ladder)trans-105.2-43.7171.6-179.10000109.5V199 L204 L205 V264 Q266 I291V199-V235 PolarHBondContact N-O 2.9Å; L204-V235 HydrophobicContact CD1-CG2 4.36Å; L204-V235 HydrophobicContact CD2-CG1 4.12Å; L205-V235 HydrophobicContact CD2-CG1 4.25Å; V235-V264 HydrophobicContact CB-CB 4.2Å; V235-V264 HydrophobicContact CB-CG1 3.96Å; V235-V264 HydrophobicContact CG1-CG1 4.44Å; V235-V264 HydrophobicContact CG2-CG1 4.37Å; V235-V264 PolarHBondContact N-O 3.42Å; V235-Q266 HydrophobicContact CG2-CB 3.88Å; V235-Q266 HydrophobicContact CG2-CG 3.96Å; V235-I291 HydrophobicContact CG1-CD1 3.93Å; V235-I291 HydrophobicContact CG1-CG1 4.49Å; V235-I291 HydrophobicContact CG1-CG2 3.95Å
236L97Very high80.2Confident0 Ų063.1 Ų63.10%039%0.392CS..EExtended strand (participates in β ladder)trans-120.7135.9171.2-61.5-172.8000109.7C197 V198 A262 T263 V264 L287 I291C197-L236 WeakPolarHBondContact O-CA 3.27Å; V198-L236 HydrophobicContact CB-CD2 4.17Å; V198-L236 HydrophobicContact CG1-CD2 4.47Å; V198-L236 HydrophobicContact CG2-CD2 3.67Å; L236-A262 CarbonylContact O-C 3.57Å; L236-A262 WeakPolarHBondContact O-CA 3.21Å; L236-T263 WeakPolarHBondContact CB-OG1 3.31Å; L236-T263 PolarHBondContact O-N 3.09Å; L236-V264 HydrophobicContact CB-CB 3.99Å; L236-V264 HydrophobicContact CB-CG2 4.09Å; L236-V264 HydrophobicContact CD1-CB 4.34Å; L236-V264 HydrophobicContact CD1-CG2 3.67Å; L236-V264 HydrophobicContact CG-CB 4.02Å; L236-V264 HydrophobicContact CG-CG2 3.92Å; L236-V264 PolarHBondContact N-O 3.37Å; L236-L287 HydrophobicContact CD1-CB 4.2Å; L236-I291 HydrophobicContact CD1-CG1 4.13Å; L236-I291 HydrophobicContact CD2-CD1 4.26Å; L236-I291 HydrophobicContact CD2-CG1 4.06Å; L236-I291 HydrophobicContact CG-CG1 4.17Å
237L95.7Very high77.2Confident22 Ų2264.5 Ų64.512%0.11541%0.412CS..EExtended strand (participates in β ladder)trans-121.6141.3173-68165.6000108.9C196 C197 V199 A234 F256 L260 Q261 A262C196-L237 CarbonylContact C-O 3.43Å; C196-L237 WeakPolarHBondContact CA-O 3.38Å; C197-L237 PolarHBondContact N-O 3.48Å; C197-L237 PolarHBondContact O-N 2.78Å; C197-L237 VanDerWaalsContact SG-CB 3.58Å; C197-L237 PolarHBondContact SG-O 2.87Å; V199-L237 HydrophobicContact CG2-CD1 3.72Å; V199-L237 HydrophobicContact CG2-CG 3.89Å; A234-L237 HydrophobicContact CB-CD1 4.46Å; A234-L237 HydrophobicContact CB-CD2 3.64Å; A234-L237 HydrophobicContact CB-CG 3.88Å; L237-F256 HydrophobicContact CD2-CD1 4.3Å; L237-F256 HydrophobicContact CD2-CE1 4.43Å; L237-L260 HydrophobicContact CB-CB 4.42Å; L237-Q261 CarbonylContact C-O 3.54Å; L237-Q261 WeakPolarHBondContact CA-O 3.32Å; L237-A262 HydrophobicContact CD2-CB 4Å
238A94.3Very high74.6Confident0 Ų069.1 Ų69.10%044%0.444CS..EExtended strand (participates in β ladder)trans-135.5152.9175.500000111.1L193 C196 L217 L260 Q261 T263L193-A238 HydrophobicContact CB-CB 4.11Å; L193-A238 HydrophobicContact CD1-CB 4.14Å; C196-A238 HydrophobicContact CB-CB 4.36Å; L217-A238 HydrophobicContact CD1-CB 3.97Å; A238-L260 CarbonylContact O-C 3.6Å; A238-L260 WeakPolarHBondContact O-CA 3.42Å; A238-Q261 PolarHBondContact N-O 3.33Å; A238-Q261 PolarHBondContact O-N 3.45Å; A238-T263 HydrophobicContact CB-CG2 3.86Å
239R91.5Very high72.1Confident120 Ų12065.2 Ų65.245%0.45344%0.441SS..EExtended strand (participates in β ladder)trans-84.2133.1179.4-176.2167.760.6153.73110.9L193 W194 D195 L260L193-R239 CarbonylContact C-O 3.02Å; L193-R239 WeakPolarHBondContact CA-O 3.27Å; W194-R239 PolarHBondContact N-O 2.93Å; W194-R239 WeakPolarHBondContact O-CB 3.35Å; W194-R239 PolarHBondContact O-N 2.75Å; D195-R239 IonicContact OD2-CZ 3.25Å; D195-R239 VanDerWaalsContact OD2-CZ 3.25Å; D195-R239 IonicContact OD2-NE 3.34Å; D195-R239 PolarHBondContact OD2-NE 2.89Å; D195-R239 IonicContact OD2-NH2 3.44Å; D195-R239 PolarHBondContact OD2-NH2 3.31Å; R239-L260 HydrophobicContact CB-CD2 4.07Å
240A84.7Confident69.2Low28 Ų2870.4 Ų70.423%0.23147%0.47CS..EExtended strand (participates in β ladder)trans-77.1150.5170.900000111.5L193 E242 G259L193-A240 HydrophobicContact CD2-CB 4.32Å; A240-E242 PolarHBondContact O-N 3.13Å; A240-G259 PolarHBondContact N-O 3.26Å
241K72.4Confident66.3Low125 Ų12573.9 Ų73.954%0.54348%0.481SS..PPolyproline II helixtrans-57.4128.7169.8-147.6179.8-176.1173.60110W194 G243W194-K241 HydrophobicContact CE3-CB 4Å; W194-K241 HydrophobicContact CE3-CG 4.2Å; W194-K241 HydrophobicContact CH2-CB 4.01Å; W194-K241 HydrophobicContact CH2-CD 3.54Å; W194-K241 HydrophobicContact CH2-CG 3.65Å; W194-K241 HydrophobicContact CZ2-CD 4.38Å; W194-K241 HydrophobicContact CZ2-CG 4.39Å; W194-K241 HydrophobicContact CZ3-CB 3.39Å; W194-K241 HydrophobicContact CZ3-CD 3.86Å; W194-K241 HydrophobicContact CZ3-CG 3.54Å; K241-G243 PolarHBondContact O-N 3.43Å
242E54.8Low63.5Low188 Ų18878.3 Ų78.388%0.87952%0.518SS*.THydrogen-bonded Turntrans-60.2124.3169.4-73.9-176.9167.600109.6A240A240-E242 PolarHBondContact O-N 3.13Å
243G50.3Low60.6Low79 Ų7980 Ų8081%0.81454%0.542SS*.THydrogen-bonded Turntrans119.4-11.517700000116.7K241 G245K241-G243 PolarHBondContact O-N 3.43Å; G243-G245 PolarHBondContact O-N 3.06Å
244A39.9Very low57.6Low99 Ų9982.9 Ų82.982%0.81857%0.568SS**SBendtrans-95.579.2174.300000111.2
245G37.6Very low55Low69 Ų6984.7 Ų84.771%0.71159%0.588SS**  trans112.438.8166.200000117.3G243 G247G243-G245 PolarHBondContact O-N 3.06Å; G245-G247 PolarHBondContact O-N 3.35Å
246A30.7Very low52.3Low110 Ų11089.3 Ų89.391%0.90961%0.608SS**  trans-74.458.7153.500000109.6
247G31.3Very low49.6Very low64 Ų6494.1 Ų94.166%0.6664%0.642SS**  trans-84.1113.5160.200000106.4G245 G249G245-G247 PolarHBondContact O-N 3.35Å; G247-G249 PolarHBondContact O-N 3.27Å
248S37.5Very low47.5Very low127 Ų127100.2 Ų100.289%0.88867%0.674SS**SBendtrans-40.1126.916954.40000112
249G34.8Very low46.2Very low72 Ų72102.8 Ų102.874%0.74270%0.701SS**  trans140.4-3.2145.300000120.9G247G247-G249 PolarHBondContact O-N 3.27Å
250D32.2Very low45.9Very low167 Ų16799 Ų9989%0.89369%0.689SS**  trans-123116.8179.8-89-27.8000113.3A252D250-A252 PolarHBondContact O-N 2.54Å
251N32.7Very low46.2Very low165 Ų16599.4 Ų99.488%0.88269%0.686SS**  trans-48122.3173.1-78.6-35.6000111G253N251-G253 PolarHBondContact O-N 3.24Å; N251-G253 VanDerWaalsContact O-N 3.07Å
252A34.1Very low47.3Very low93 Ų9393.5 Ų93.577%0.76966%0.661SS**  trans-54.6114.3166.400000109.1D250D250-A252 PolarHBondContact O-N 2.54Å
253G33.8Very low49.3Very low56 Ų5684.6 Ų84.658%0.57762%0.619SS**  trans-59150.1170.400000110.5N251 G255N251-G253 PolarHBondContact O-N 3.24Å; N251-G253 VanDerWaalsContact O-N 3.07Å; G253-G255 PolarHBondContact O-N 3.35Å; G253-G255 VanDerWaalsContact O-N 3.12Å
254P32.1Very low51.6Low144 Ų14480.8 Ų80.894%0.93558%0.58SS**THydrogen-bonded Turntrans-69.7113.5-177.627.9-29.2000109
255G40.4Very low54.3Low51 Ų5176.3 Ų76.353%0.52654%0.543SS..THydrogen-bonded Turntrans161.8-24.817300000117.2G253G253-G255 PolarHBondContact O-N 3.35Å; G253-G255 VanDerWaalsContact O-N 3.12Å
256F41Very low57.2Low96 Ų9673.1 Ų73.142%0.42151%0.509SS..  trans-139.2101.4-178.2-59-76.1000110.8A234 L237A234-F256 HydrophobicContact CB-CE1 4.19Å; L237-F256 HydrophobicContact CD2-CD1 4.3Å; L237-F256 HydrophobicContact CD2-CE1 4.43Å
257S39.1Very low60.3Low102 Ų10267.9 Ų67.971%0.71347%0.466SS*.  trans-99.5143.7179.3-55.40000111.1
258L51.9Low63.3Low149 Ų14967.8 Ų67.878%0.7845%0.449SS*.SBendtrans75.656.3177.8-80.7101.9000118.5L260L258-L260 WeakPolarHBondContact O-CG 3.33Å; L258-L260 PolarHBondContact O-N 3.25Å
259G67.4Low66Low55 Ų5562.1 Ų62.157%0.56741%0.411SS*.SBendtrans60.79.1162.500000116.3A240A240-G259 PolarHBondContact N-O 3.26Å
260L84.6Confident68.9Low40 Ų4064.3 Ų64.321%0.20941%0.405CS..EExtended strand (participates in β ladder)trans-90.3138.4177.3-70.2173.3000109.5L237 A238 R239 L258L237-L260 HydrophobicContact CB-CB 4.42Å; A238-L260 CarbonylContact O-C 3.6Å; A238-L260 WeakPolarHBondContact O-CA 3.42Å; R239-L260 HydrophobicContact CB-CD2 4.07Å; L258-L260 WeakPolarHBondContact O-CG 3.33Å; L258-L260 PolarHBondContact O-N 3.25Å
261Q92.3Very high71.8Confident36 Ų3662 Ų6217%0.16839%0.385CS..EExtended strand (participates in β ladder)trans-128.1134.8-174.1-61.3-176.3-11.700109.4S224 L237 A238 T263S224-Q261 PolarHBondContact OG-OE1 2.74Å; L237-Q261 CarbonylContact C-O 3.54Å; L237-Q261 WeakPolarHBondContact CA-O 3.32Å; A238-Q261 PolarHBondContact N-O 3.33Å; A238-Q261 PolarHBondContact O-N 3.45Å; Q261-T263 PolarHBondContact O-N 2.87Å
262A95.4Very high74.6Confident2 Ų255.8 Ų55.82%0.01735%0.351CS..EExtended strand (participates in β ladder)trans-76.3116.5-177.100000111S224 F225 A234 L236 L237 V265S224-A262 CarbonylContact C-O 3.58Å; S224-A262 WeakPolarHBondContact CA-O 3.4Å; S224-A262 WeakPolarHBondContact CB-O 3.21Å; F225-A262 WeakPolarHBondContact CD2-O 3.24Å; F225-A262 PolarHBondContact N-O 3.35Å; A234-A262 HydrophobicContact CB-CB 3.83Å; L236-A262 CarbonylContact O-C 3.57Å; L236-A262 WeakPolarHBondContact O-CA 3.21Å; L237-A262 HydrophobicContact CD2-CB 4Å; A262-V265 HydrophobicContact CB-CG1 3.64Å
263T96.4Very high77.4Confident0 Ų053.8 Ų53.80%034%0.34CS..EExtended strand (participates in β ladder)trans-95.8-19.417855.80000112.4L193 W222 F225 L236 A238 Q261 G280L193-T263 HydrophobicContact CD1-CG2 3.39Å; W222-T263 HydrophobicContact CE3-CG2 3.98Å; W222-T263 HydrophobicContact CZ3-CG2 4.26Å; F225-T263 WeakPolarHBondContact CE2-O 3.27Å; L236-T263 WeakPolarHBondContact CB-OG1 3.31Å; L236-T263 PolarHBondContact O-N 3.09Å; A238-T263 HydrophobicContact CB-CG2 3.86Å; Q261-T263 PolarHBondContact O-N 2.87Å; T263-G280 PolarHBondContact O-N 3.04Å
264V98.2Very high80.4Confident0 Ų051.2 Ų51.20%031%0.313CS..EExtended strand (participates in β ladder)trans-135.1131.6167.9-177.80000108.6V235 L236 V277 L278 F279 I291V235-V264 HydrophobicContact CB-CB 4.2Å; V235-V264 HydrophobicContact CB-CG1 3.96Å; V235-V264 HydrophobicContact CG1-CG1 4.44Å; V235-V264 HydrophobicContact CG2-CG1 4.37Å; V235-V264 PolarHBondContact N-O 3.42Å; L236-V264 HydrophobicContact CB-CB 3.99Å; L236-V264 HydrophobicContact CB-CG2 4.09Å; L236-V264 HydrophobicContact CD1-CB 4.34Å; L236-V264 HydrophobicContact CD1-CG2 3.67Å; L236-V264 HydrophobicContact CG-CB 4.02Å; L236-V264 HydrophobicContact CG-CG2 3.92Å; L236-V264 PolarHBondContact N-O 3.37Å; V264-V277 HydrophobicContact CG1-CG1 3.99Å; V264-L278 VanDerWaalsContact CA-O 3.29Å; V264-L278 WeakPolarHBondContact CA-O 3.22Å; V264-L278 WeakPolarHBondContact CG1-O 3.47Å; V264-F279 HydrophobicContact CG1-CD1 4.27Å; V264-F279 HydrophobicContact CG1-CE1 4.23Å; V264-F279 HydrophobicContact CG1-CZ 4.44Å; V264-F279 HydrophobicContact CG2-CD1 3.6Å; V264-F279 HydrophobicContact CG2-CE1 4.01Å; V264-F279 HydrophobicContact CG2-CG 4.26Å; V264-I291 HydrophobicContact CG1-CG2 4.04Å
265V97.6Very high83.4Confident5 Ų546.8 Ų46.83%0.0328%0.277CS..EExtended strand (participates in β ladder)trans-125.4143.7176.3-65.40000111F225 Y232 Q233 A262 V277 L278F225-V265 HydrophobicContact CB-CG1 3.7Å; F225-V265 HydrophobicContact CB-CG2 3.98Å; F225-V265 HydrophobicContact CD1-CG2 4.36Å; F225-V265 HydrophobicContact CD2-CG1 4.13Å; F225-V265 HydrophobicContact CD2-CG2 3.89Å; F225-V265 HydrophobicContact CE2-CG2 4.45Å; F225-V265 HydrophobicContact CG-CG1 4.22Å; F225-V265 HydrophobicContact CG-CG2 3.82Å; Y232-V265 HydrophobicContact CD1-CG2 4.25Å; Q233-V265 CarbonylContact O-C 3.58Å; Q233-V265 VanDerWaalsContact O-CA 3.29Å; Q233-V265 WeakPolarHBondContact O-CA 3.37Å; A262-V265 HydrophobicContact CB-CG1 3.64Å; V265-V277 WeakPolarHBondContact O-CA 3.44Å; V265-L278 HydrophobicContact CG2-CB 3.88Å; V265-L278 HydrophobicContact CG2-CD1 4.24Å; V265-L278 HydrophobicContact CG2-CG 4.39Å; V265-L278 PolarHBondContact N-O 2.97Å; V265-L278 PolarHBondContact O-N 3.02Å
266Q97Very high86.1Confident1 Ų144.3 Ų44.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-99.2139.916663.6174.122.600109.5S202 Y232 Q233 V235 R276 V277S202-Q266 PolarHBondContact OG-OE1 2.77Å; Y232-Q266 CarbonylContact C-O 3.56Å; Y232-Q266 VanDerWaalsContact CA-O 3.27Å; Y232-Q266 WeakPolarHBondContact CA-O 3.48Å; Q233-Q266 HydrophobicContact CB-CG 3.87Å; Q233-Q266 PolarHBondContact N-O 2.89Å; Q233-Q266 WeakPolarHBondContact O-CG 3.37Å; Q233-Q266 PolarHBondContact O-N 2.92Å; V235-Q266 HydrophobicContact CG2-CB 3.88Å; V235-Q266 HydrophobicContact CG2-CG 3.96Å; Q266-R276 CarbonylContact C-O 3.55Å; Q266-R276 WeakPolarHBondContact CA-O 3.45Å; Q266-V277 HydrophobicContact CB-CG2 4.47Å
267D96.5Very high88.9Confident1 Ų139.8 Ų39.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-107.8117.4172.3-174.6-3.4000108.4T231 Y232 G269 R275 R276T231-D267 WeakPolarHBondContact CB-OD1 3.3Å; T231-D267 VanDerWaalsContact CG2-OD1 3.29Å; T231-D267 WeakPolarHBondContact CG2-OD1 3.41Å; T231-D267 WeakPolarHBondContact O-CA 3.5Å; T231-D267 PolarHBondContact OG1-OD1 3.33Å; Y232-D267 HydrophobicContact CD1-CB 3.82Å; Y232-D267 HydrophobicContact CE1-CB 3.51Å; Y232-D267 PolarHBondContact OH-OD2 3.39Å; D267-G269 PolarHBondContact O-N 3.38Å; D267-G269 PolarHBondContact OD1-N 3.18Å; D267-R275 WeakPolarHBondContact O-CA 3.28Å; D267-R276 HydrophobicContact CB-CB 3.74Å; D267-R276 HydrophobicContact CB-CG 4.16Å; D267-R276 PolarHBondContact N-O 2.9Å; D267-R276 PolarHBondContact O-N 2.98Å; D267-R276 IonicContact OD2-CZ 3.45Å; D267-R276 IonicContact OD2-NH1 3.47Å; D267-R276 PolarHBondContact OD2-NH1 3.39Å
268M94.7Very high91.7Very high61 Ų6134.9 Ų34.930%0.320%0.198SC..  trans-74.7-4.3-179.8-62.7-58.2-63.500113T231 L270 Y298T231-M268 PolarHBondContact O-N 3.39Å; T231-M268 PolarHBondContact OG1-N 3.4Å; M268-L270 VanDerWaalsContact C-N 3.31Å; M268-L270 HydrophobicContact CB-CD1 4.36Å; M268-L270 HydrophobicContact CB-CG 3.98Å; M268-Y298 WeakPolarHBondContact CE-OH 3.37Å; M268-Y298 PolarHBondContact SD-OH 2.88Å
269G93.9Very high93.9Very high9 Ų927.8 Ų27.89%0.09316%0.161CC..SBendtrans73.719.6-178.600000113.7T231 D267 Y271 G273 V274T231-G269 PolarHBondContact OG1-N 2.88Å; D267-G269 PolarHBondContact O-N 3.38Å; D267-G269 PolarHBondContact OD1-N 3.18Å; G269-Y271 PolarHBondContact O-N 3.35Å; G269-G273 WeakPolarHBondContact O-CA 3.48Å; G269-G273 PolarHBondContact O-N 3.21Å; G269-V274 WeakPolarHBondContact CA-O 3.32Å
270L94.8Very high95.3Very high118 Ų11825.2 Ų25.262%0.61813%0.134SC*.THydrogen-bonded Turntrans-72.6-18.7179.7-56.9177.9000112.8T231 M268T231-L270 PolarHBondContact OG1-N 2.9Å; M268-L270 VanDerWaalsContact C-N 3.31Å; M268-L270 HydrophobicContact CB-CD1 4.36Å; M268-L270 HydrophobicContact CB-CG 3.98Å
271Y93.2Very high95.8Very high119 Ų11924 Ų2447%0.46713%0.127SC..THydrogen-bonded Turntrans-85-44.3179.7-178.8-106.2000112.8P184 H229 G269P184-Y271 HydrophobicContact CG-CD1 4.19Å; P184-Y271 HydrophobicContact CG-CD2 3.91Å; P184-Y271 HydrophobicContact CG-CE1 4.38Å; P184-Y271 HydrophobicContact CG-CE2 4.12Å; P184-Y271 HydrophobicContact CG-CG 3.95Å; H229-Y271 AromaticContact CD2-CD2 3.83Å; H229-Y271 AromaticContact NE2-CD2 3.75Å; G269-Y271 PolarHBondContact O-N 3.35Å
272D92.8Very high96Very high33 Ų3322.7 Ų22.718%0.17612%0.124CC..THydrogen-bonded Turntrans-139.916-173.471.4-8.3000114.4H154 V274 R276H154-D272 PolarHBondContact CE1-O 2.68Å; D272-V274 VanDerWaalsContact C-N 3.25Å; D272-V274 PolarHBondContact O-N 2.81Å; D272-V274 PolarHBondContact OD1-N 3.38Å; D272-R276 IonicContact OD1-CZ 3Å; D272-R276 IonicContact OD1-NH1 3.38Å; D272-R276 PolarHBondContact OD1-NH1 2.64Å; D272-R276 IonicContact OD1-NH2 3.7Å; D272-R276 PolarHBondContact OD1-NH2 3.46Å; D272-R276 IonicContact OD2-CZ 2.71Å; D272-R276 IonicContact OD2-NH1 3.83Å; D272-R276 PolarHBondContact OD2-NH1 3.26Å; D272-R276 IonicContact OD2-NH2 3.46Å; D272-R276 PolarHBondContact OD2-NH2 2.79Å
273G92.9Very high96Very high51 Ų5122.6 Ų22.653%0.52612%0.123SC..SBendtrans76.8-0.4176.400000115.7G269G269-G273 WeakPolarHBondContact O-CA 3.48Å; G269-G273 PolarHBondContact O-N 3.21Å
274V95.3Very high95.8Very high2 Ų226 Ų261%0.01216%0.158CC..  trans-109123.9-178.9179.40000110.6C157 T158 I164 G269 D272 R276C157-V274 HydrophobicContact CB-CB 4.49Å; C157-V274 HydrophobicContact CB-CG1 3.98Å; C157-V274 HydrophobicContact CB-CG2 3.74Å; T158-V274 HydrophobicContact CG2-CG2 3.98Å; I164-V274 HydrophobicContact CD1-CG1 3.99Å; I164-V274 HydrophobicContact CG1-CG1 4.21Å; G269-V274 WeakPolarHBondContact CA-O 3.32Å; D272-V274 VanDerWaalsContact C-N 3.25Å; D272-V274 PolarHBondContact O-N 2.81Å; D272-V274 PolarHBondContact OD1-N 3.38Å; V274-R276 HydrophobicContact CG1-CG 4.28Å; V274-R276 PolarHBondContact O-NH1 2.98Å
275R96.6Very high95.7Very high51 Ų5126.4 Ų26.419%0.19216%0.159CC..  trans-79.6138.6176.1-63.9-179.1-67.3178.1-4.5110.9G163 I164 D267 L299 D301G163-R275 WeakPolarHBondContact CA-O 3.44Å; I164-R275 PolarHBondContact N-O 2.8Å; D267-R275 WeakPolarHBondContact O-CA 3.28Å; R275-L299 HydrophobicContact CB-CD2 3.63Å; R275-D301 IonicContact CZ-OD1 3.52Å; R275-D301 IonicContact CZ-OD2 2.8Å; R275-D301 IonicContact NH1-OD1 2.82Å; R275-D301 PolarHBondContact NH1-OD1 2.82Å; R275-D301 IonicContact NH1-OD2 2.62Å; R275-D301 IonicContact NH2-OD1 3.81Å; R275-D301 PolarHBondContact NH2-OD1 3.5Å; R275-D301 IonicContact NH2-OD2 3.3Å; R275-D301 PolarHBondContact NH2-OD2 2.83Å
276R97.6Very high95.6Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-139.9157-178.7-43.8177.717476.90.4113.4Y142 I164 Q266 D267 D272 V274 L278Y142-R276 PolarHBondContact OH-NE 2.88Å; Y142-R276 PolarHBondContact OH-NH2 3.41Å; I164-R276 HydrophobicContact CB-CG 4.27Å; I164-R276 CarbonylContact O-C 3.23Å; I164-R276 WeakPolarHBondContact O-CA 3.41Å; Q266-R276 CarbonylContact C-O 3.55Å; Q266-R276 WeakPolarHBondContact CA-O 3.45Å; D267-R276 HydrophobicContact CB-CB 3.74Å; D267-R276 HydrophobicContact CB-CG 4.16Å; D267-R276 PolarHBondContact N-O 2.9Å; D267-R276 PolarHBondContact O-N 2.98Å; D267-R276 IonicContact OD2-CZ 3.45Å; D267-R276 IonicContact OD2-NH1 3.47Å; D267-R276 PolarHBondContact OD2-NH1 3.39Å; D272-R276 IonicContact OD1-CZ 3Å; D272-R276 IonicContact OD1-NH1 3.38Å; D272-R276 PolarHBondContact OD1-NH1 2.64Å; D272-R276 IonicContact OD1-NH2 3.7Å; D272-R276 PolarHBondContact OD1-NH2 3.46Å; D272-R276 IonicContact OD2-CZ 2.71Å; D272-R276 IonicContact OD2-NH1 3.83Å; D272-R276 PolarHBondContact OD2-NH1 3.26Å; D272-R276 IonicContact OD2-NH2 3.46Å; D272-R276 PolarHBondContact OD2-NH2 2.79Å; V274-R276 HydrophobicContact CG1-CG 4.28Å; V274-R276 PolarHBondContact O-NH1 2.98Å; R276-L278 HydrophobicContact CB-CD2 4.26Å; R276-L278 HydrophobicContact CB-CG 4.47Å
277V98.6Very high95.5Very high0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-131.1124.6164-178.70000108.3I164 I165 G166 L204 V264 V265 Q266 F279 A295 L299I164-V277 PolarHBondContact O-N 3.44Å; I165-V277 WeakPolarHBondContact CA-O 3.21Å; G166-V277 PolarHBondContact N-O 2.9Å; L204-V277 HydrophobicContact CD1-CB 4.38Å; L204-V277 HydrophobicContact CD1-CG1 3.97Å; L204-V277 HydrophobicContact CD1-CG2 3.44Å; L204-V277 VanDerWaalsContact CD1-CG2 3.44Å; V264-V277 HydrophobicContact CG1-CG1 3.99Å; V265-V277 WeakPolarHBondContact O-CA 3.44Å; Q266-V277 HydrophobicContact CB-CG2 4.47Å; V277-F279 HydrophobicContact CG1-CD2 4.36Å; V277-F279 HydrophobicContact CG1-CE2 3.71Å; V277-F279 HydrophobicContact CG1-CZ 4.21Å; V277-A295 HydrophobicContact CB-CB 4.04Å; V277-A295 HydrophobicContact CG1-CB 3.94Å; V277-A295 HydrophobicContact CG2-CB 3.96Å; V277-L299 HydrophobicContact CB-CD1 4.32Å; V277-L299 HydrophobicContact CG2-CD1 3.9Å; V277-L299 HydrophobicContact CG2-CD2 4.38Å; V277-L299 HydrophobicContact CG2-CG 4.13Å
278L98.4Very high95.6Very high0 Ų027.4 Ų27.40%016%0.163CC..EExtended strand (participates in β ladder)trans-118.9128.9-171.4-53.5178.4000110.7L139 G166 L185 F225 Y232 V264 V265 R276L139-L278 HydrophobicContact CD1-CD2 3.73Å; L139-L278 HydrophobicContact CD2-CD1 4.25Å; L139-L278 HydrophobicContact CD2-CD2 4.04Å; G166-L278 CarbonylContact O-C 3.59Å; G166-L278 VanDerWaalsContact O-CA 3.31Å; G166-L278 WeakPolarHBondContact O-CA 3.28Å; L185-L278 HydrophobicContact CD2-CD1 3.43Å; L185-L278 VanDerWaalsContact CD2-CD1 3.43Å; F225-L278 HydrophobicContact CE1-CB 4.23Å; F225-L278 HydrophobicContact CE2-CB 4.38Å; F225-L278 HydrophobicContact CZ-CB 3.97Å; Y232-L278 HydrophobicContact CE1-CD1 4.3Å; V264-L278 VanDerWaalsContact CA-O 3.29Å; V264-L278 WeakPolarHBondContact CA-O 3.22Å; V264-L278 WeakPolarHBondContact CG1-O 3.47Å; V265-L278 HydrophobicContact CG2-CB 3.88Å; V265-L278 HydrophobicContact CG2-CD1 4.24Å; V265-L278 HydrophobicContact CG2-CG 4.39Å; V265-L278 PolarHBondContact N-O 2.97Å; V265-L278 PolarHBondContact O-N 3.02Å; R276-L278 HydrophobicContact CB-CD2 4.26Å; R276-L278 HydrophobicContact CB-CG 4.47Å
279F98.5Very high95.7Very high0 Ų027.5 Ų27.50%016%0.159CC..EExtended strand (participates in β ladder)trans-109130.5-178.7-68.6-101.2000110.6I165 G166 F167 Y168 V264 V277 Q281 H288 I291 L292I165-F279 HydrophobicContact CG2-CD2 3.96Å; I165-F279 HydrophobicContact CG2-CE2 3.72Å; G166-F279 PolarHBondContact O-N 3.01Å; F167-F279 HydrophobicContact CD1-CB 3.44Å; F167-F279 VanDerWaalsContact CD1-CB 3.44Å; F167-F279 HydrophobicContact CD1-CD2 4.19Å; F167-F279 AromaticContact CD1-CG 3.86Å; F167-F279 HydrophobicContact CD1-CG 3.86Å; F167-F279 HydrophobicContact CE1-CB 3.68Å; F167-F279 AromaticContact CE1-CD1 3.98Å; F167-F279 HydrophobicContact CE1-CD1 3.98Å; F167-F279 AromaticContact CE1-CD2 3.76Å; F167-F279 HydrophobicContact CE1-CD2 3.76Å; F167-F279 HydrophobicContact CE1-CE2 4.38Å; F167-F279 AromaticContact CE1-CG 3.54Å; F167-F279 HydrophobicContact CE1-CG 3.54Å; F167-F279 HydrophobicContact CE2-CD2 4.41Å; F167-F279 HydrophobicContact CG-CB 4.19Å; F167-F279 AromaticContact CZ-CD2 3.88Å; F167-F279 HydrophobicContact CZ-CD2 3.88Å; F167-F279 HydrophobicContact CZ-CE2 4.18Å; F167-F279 HydrophobicContact CZ-CG 4.14Å; Y168-F279 PolarHBondContact N-O 2.97Å; V264-F279 HydrophobicContact CG1-CD1 4.27Å; V264-F279 HydrophobicContact CG1-CE1 4.23Å; V264-F279 HydrophobicContact CG1-CZ 4.44Å; V264-F279 HydrophobicContact CG2-CD1 3.6Å; V264-F279 HydrophobicContact CG2-CE1 4.01Å; V264-F279 HydrophobicContact CG2-CG 4.26Å; V277-F279 HydrophobicContact CG1-CD2 4.36Å; V277-F279 HydrophobicContact CG1-CE2 3.71Å; V277-F279 HydrophobicContact CG1-CZ 4.21Å; F279-Q281 VanDerWaalsContact C-N 3.27Å; F279-Q281 PolarHBondContact O-N 3.32Å; F279-H288 HydrophobicContact CD1-CB 4.08Å; F279-H288 AromaticContact CD1-CG 3.86Å; F279-H288 AromaticContact CD1-ND1 3.98Å; F279-H288 HydrophobicContact CE1-CB 4.16Å; F279-I291 HydrophobicContact CE1-CB 4.06Å; F279-I291 HydrophobicContact CE1-CG2 3.88Å; F279-I291 HydrophobicContact CZ-CB 4.28Å; F279-I291 HydrophobicContact CZ-CG2 3.8Å; F279-L292 HydrophobicContact CZ-CB 4.21Å
280G96.6Very high95.8Very high0 Ų027 Ų270%016%0.155CC..SBendtrans-89.112.1-178.300000114.2Y168 T223 F225 T263Y168-G280 CarbonylContact O-C 3.55Å; T223-G280 WeakPolarHBondContact CB-O 3.31Å; T223-G280 PolarHBondContact N-O 3.29Å; T223-G280 WeakPolarHBondContact O-CA 3.27Å; F225-G280 VanDerWaalsContact CE2-N 3.31Å; T263-G280 PolarHBondContact O-N 3.04Å
281Q95.3Very high96Very high14 Ų1421.4 Ų21.47%0.06513%0.126CC..SBendtrans-163.7166.6171.1-171.948.6-68.600109.2F167 Y168 D221 W222 F279 H288F167-Q281 WeakPolarHBondContact CD1-O 3.4Å; Y168-Q281 PolarHBondContact O-N 3.17Å; D221-Q281 PolarHBondContact O-NE2 3.07Å; D221-Q281 VanDerWaalsContact O-NE2 3.13Å; D221-Q281 PolarHBondContact OD1-NE2 3.44Å; D221-Q281 PolarHBondContact OD2-NE2 2.97Å; W222-Q281 HydrophobicContact CD2-CB 4.1Å; W222-Q281 HydrophobicContact CD2-CG 4.35Å; W222-Q281 HydrophobicContact CE3-CB 3.78Å; W222-Q281 HydrophobicContact CE3-CG 4.48Å; W222-Q281 HydrophobicContact CH2-CB 4.13Å; W222-Q281 HydrophobicContact CH2-CG 4.41Å; W222-Q281 HydrophobicContact CZ2-CB 4.42Å; W222-Q281 HydrophobicContact CZ2-CG 4.28Å; W222-Q281 HydrophobicContact CZ3-CB 3.81Å; F279-Q281 VanDerWaalsContact C-N 3.27Å; F279-Q281 PolarHBondContact O-N 3.32Å; Q281-H288 PolarHBondContact O-ND1 3.14Å
282G95.4Very high96.2Very high9 Ų915.8 Ų15.89%0.09310%0.104CC..  trans-68.5-167.3173.800000114.9G284 H288G282-G284 VanDerWaalsContact C-N 3.29Å; G282-G284 PolarHBondContact O-N 2.94Å; G282-H288 PolarHBondContact O-ND1 3.46Å
283L95.8Very high96.4Very high1 Ų114.8 Ų14.81%0.00510%0.099CC..THydrogen-bonded Turntrans-88.515.1-177.4-64.1175000114.1L94 D97 I98 I101 F167 Y285 H288 R289 L292L94-L283 HydrophobicContact CD1-CB 4.14Å; L94-L283 HydrophobicContact CD1-CD1 4.08Å; L94-L283 HydrophobicContact CD1-CG 3.74Å; D97-L283 HydrophobicContact CB-CB 4.16Å; D97-L283 HydrophobicContact CB-CD1 3.87Å; I98-L283 HydrophobicContact CB-CD1 4.49Å; I98-L283 HydrophobicContact CG1-CD1 3.69Å; I101-L283 HydrophobicContact CD1-CD1 3.93Å; F167-L283 HydrophobicContact CE1-CD2 3.85Å; F167-L283 HydrophobicContact CE1-CG 4.09Å; F167-L283 HydrophobicContact CZ-CD2 4.04Å; F167-L283 HydrophobicContact CZ-CG 4.29Å; L283-Y285 PolarHBondContact O-N 2.88Å; L283-H288 HydrophobicContact CD2-CB 4.03Å; L283-R289 HydrophobicContact CB-CG 4.2Å; L283-R289 HydrophobicContact CD2-CG 4.27Å; L283-R289 PolarHBondContact O-NE 2.94Å; L283-R289 PolarHBondContact O-NH2 3.29Å; L283-L292 HydrophobicContact CD1-CD2 3.75Å; L283-L292 HydrophobicContact CD2-CB 4.31Å; L283-L292 HydrophobicContact CD2-CD2 3.9Å; L283-L292 HydrophobicContact CG-CD2 4.45Å
284G92.8Very high96.7Very high70 Ų7012.5 Ų12.572%0.7227%0.074SC*.THydrogen-bonded Turntrans-66.5-24.417300000112.9G282G282-G284 VanDerWaalsContact C-N 3.29Å; G282-G284 PolarHBondContact O-N 2.94Å
285Y95.2Very high96.8Very high9 Ų912.4 Ų12.44%0.0357%0.074CC..SBendtrans-93.5132.7175.1-175.3-128.8000111.5C196 D213 L217 P218 W222 L283 L287 H288C196-Y285 HydrophobicContact CB-CE1 4.22Å; C196-Y285 WeakPolarHBondContact CB-OH 3.24Å; D213-Y285 WeakPolarHBondContact CB-OH 3.27Å; D213-Y285 VanDerWaalsContact OD2-CE2 3.31Å; D213-Y285 WeakPolarHBondContact OD2-CE2 3.16Å; D213-Y285 PolarHBondContact OD2-OH 2.84Å; L217-Y285 HydrophobicContact CD2-CE1 4.37Å; L217-Y285 HydrophobicContact CD2-CE2 3.94Å; P218-Y285 HydrophobicContact CG-CD2 3.93Å; P218-Y285 HydrophobicContact CG-CG 4.39Å; W222-Y285 AromaticContact CH2-CD1 3.58Å; W222-Y285 HydrophobicContact CH2-CD1 3.58Å; W222-Y285 HydrophobicContact CH2-CE1 4.29Å; W222-Y285 AromaticContact CH2-CG 3.8Å; W222-Y285 HydrophobicContact CH2-CG 3.8Å; W222-Y285 HydrophobicContact CZ2-CD1 4.33Å; W222-Y285 HydrophobicContact CZ2-CG 4.14Å; L283-Y285 PolarHBondContact O-N 2.88Å; Y285-L287 HydrophobicContact CD1-CB 4.02Å; Y285-L287 HydrophobicContact CE1-CB 3.59Å; Y285-L287 HydrophobicContact CE1-CD1 3.97Å; Y285-L287 HydrophobicContact CE1-CG 4.16Å; Y285-L287 PolarHBondContact O-N 3.37Å; Y285-L287 WeakPolarHBondContact OH-CD1 3.27Å; Y285-H288 AromaticContact CD1-CD2 3.76Å; Y285-H288 WeakPolarHBondContact O-CB 3.3Å; Y285-H288 PolarHBondContact O-N 2.88Å; Y285-H288 VanDerWaalsContact O-N 3.14Å
286W94.9Very high96.9Very high29 Ų2910 Ų1011%0.117%0.065CC..Hα-helixtrans-67.6-36.4-168.370.3-89.8000113.6D213 H288 R289 L290 G509 F547 W551D213-W286 HydrophobicContact CB-CZ2 4.14Å; D213-W286 PolarHBondContact OD2-NE1 2.86Å; W286-H288 PolarHBondContact O-N 2.79Å; W286-R289 WeakPolarHBondContact O-CB 3.31Å; W286-R289 PolarHBondContact O-N 2.71Å; W286-R289 VanDerWaalsContact O-N 3.13Å; W286-L290 HydrophobicContact CZ3-CD2 4.33Å; W286-L290 PolarHBondContact O-N 3.01Å; W286-G509 WeakPolarHBondContact CB-O 3.44Å; W286-F547 HydrophobicContact CD2-CZ 4.44Å; W286-F547 HydrophobicContact CE3-CE1 4.33Å; W286-F547 HydrophobicContact CE3-CZ 4.28Å; W286-F547 HydrophobicContact CH2-CE1 4.34Å; W286-F547 AromaticContact CH2-CZ 3.79Å; W286-F547 HydrophobicContact CH2-CZ 3.79Å; W286-F547 AromaticContact CZ2-CZ 3.94Å; W286-F547 HydrophobicContact CZ2-CZ 3.94Å; W286-F547 HydrophobicContact CZ3-CE1 4.08Å; W286-F547 AromaticContact CZ3-CZ 3.96Å; W286-F547 HydrophobicContact CZ3-CZ 3.96Å; W286-W551 HydrophobicContact CH2-CB 4.41Å; W286-W551 AromaticContact CH2-CD2 3.44Å; W286-W551 HydrophobicContact CH2-CD2 3.44Å; W286-W551 VanDerWaalsContact CH2-CD2 3.44Å; W286-W551 AromaticContact CH2-CE2 3.56Å; W286-W551 AromaticContact CH2-CE3 3.66Å; W286-W551 HydrophobicContact CH2-CE3 3.66Å; W286-W551 AromaticContact CH2-CG 3.78Å; W286-W551 HydrophobicContact CH2-CG 3.78Å; W286-W551 HydrophobicContact CH2-CH2 4.03Å; W286-W551 AromaticContact CH2-CZ2 3.88Å; W286-W551 HydrophobicContact CH2-CZ2 3.88Å; W286-W551 AromaticContact CH2-CZ3 3.94Å; W286-W551 HydrophobicContact CH2-CZ3 3.94Å; W286-W551 HydrophobicContact CZ2-CD2 4.31Å; W286-W551 AromaticContact CZ2-CE2 3.99Å; W286-W551 HydrophobicContact CZ2-CH2 4.15Å; W286-W551 AromaticContact CZ2-CZ2 3.92Å; W286-W551 HydrophobicContact CZ2-CZ2 3.92Å; W286-W551 HydrophobicContact CZ2-CZ3 4.47Å; W286-W551 HydrophobicContact CZ3-CB 4.42Å; W286-W551 HydrophobicContact CZ3-CD2 4.26Å; W286-W551 HydrophobicContact CZ3-CE3 4.46Å; W286-W551 HydrophobicContact CZ3-CG 4.23Å
287L96.4Very high96.9Very high0 Ų010.3 Ų10.30%07%0.067CC..Hα-helixtrans-63.6-31.2175.1-82.3176.3000112V198 D213 L236 Y285 R289 L290 I291 W551V198-L287 HydrophobicContact CG2-CD1 4.23Å; V198-L287 HydrophobicContact CG2-CD2 4.04Å; D213-L287 HydrophobicContact CB-CD1 4.2Å; L236-L287 HydrophobicContact CD1-CB 4.2Å; Y285-L287 HydrophobicContact CD1-CB 4.02Å; Y285-L287 HydrophobicContact CE1-CB 3.59Å; Y285-L287 HydrophobicContact CE1-CD1 3.97Å; Y285-L287 HydrophobicContact CE1-CG 4.16Å; Y285-L287 PolarHBondContact O-N 3.37Å; Y285-L287 WeakPolarHBondContact OH-CD1 3.27Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.37Å; L287-L290 HydrophobicContact CD2-CD2 4.24Å; L287-L290 WeakPolarHBondContact O-CB 3.35Å; L287-L290 PolarHBondContact O-N 3.16Å; L287-I291 WeakPolarHBondContact O-CG1 3.26Å; L287-I291 PolarHBondContact O-N 3.24Å; L287-W551 HydrophobicContact CD1-CZ3 4.34Å; L287-W551 HydrophobicContact CD2-CE3 4.09Å; L287-W551 HydrophobicContact CD2-CZ3 3.95Å
288H97.6Very high96.8Very high0 Ų012.4 Ų12.40%08%0.075CC..Hα-helixtrans-63.5-36.1176-73.3-165.9000111.6W222 F279 Q281 G282 L283 Y285 W286 L290 L292W222-H288 AromaticContact CH2-CE1 3.77Å; W222-H288 AromaticContact CH2-NE2 3.81Å; W222-H288 AromaticContact CZ3-CE1 3.44Å; W222-H288 VanDerWaalsContact CZ3-CE1 3.44Å; W222-H288 WeakPolarHBondContact CZ3-CE1 3.22Å; W222-H288 AromaticContact CZ3-NE2 3.47Å; W222-H288 WeakPolarHBondContact CZ3-NE2 3.35Å; F279-H288 HydrophobicContact CD1-CB 4.08Å; F279-H288 AromaticContact CD1-CG 3.86Å; F279-H288 AromaticContact CD1-ND1 3.98Å; F279-H288 HydrophobicContact CE1-CB 4.16Å; Q281-H288 PolarHBondContact O-ND1 3.14Å; G282-H288 PolarHBondContact O-ND1 3.46Å; L283-H288 HydrophobicContact CD2-CB 4.03Å; Y285-H288 AromaticContact CD1-CD2 3.76Å; Y285-H288 WeakPolarHBondContact O-CB 3.3Å; Y285-H288 PolarHBondContact O-N 2.88Å; Y285-H288 VanDerWaalsContact O-N 3.14Å; W286-H288 PolarHBondContact O-N 2.79Å; H288-L290 VanDerWaalsContact C-N 3.32Å; H288-L292 VanDerWaalsContact O-CB 3.27Å; H288-L292 WeakPolarHBondContact O-CB 3.35Å; H288-L292 PolarHBondContact O-N 2.86Å
289R97Very high96.7Very high62 Ų6212.4 Ų12.423%0.2348%0.075CC..Hα-helixtrans-64.3-40.4175-57-178.8-178.3-138.7-10.7111.2I101 L283 W286 L287 V293 L514I101-R289 HydrophobicContact CD1-CB 4.14Å; I101-R289 HydrophobicContact CD1-CG 4.24Å; L283-R289 HydrophobicContact CB-CG 4.2Å; L283-R289 HydrophobicContact CD2-CG 4.27Å; L283-R289 PolarHBondContact O-NE 2.94Å; L283-R289 PolarHBondContact O-NH2 3.29Å; W286-R289 WeakPolarHBondContact O-CB 3.31Å; W286-R289 PolarHBondContact O-N 2.71Å; W286-R289 VanDerWaalsContact O-N 3.13Å; L287-R289 VanDerWaalsContact C-N 3.27Å; L287-R289 PolarHBondContact O-N 3.37Å; R289-V293 PolarHBondContact O-N 2.88Å; R289-L514 HydrophobicContact CB-CD2 3.93Å; R289-L514 VanDerWaalsContact CD-CD1 3.46Å
290L96.2Very high96.6Very high0 Ų012.6 Ų12.60%08%0.076CC..Hα-helixtrans-66.5-48.9178.5-160.267.1000111.7L207 T208 W286 L287 H288 L292 V293 D294 F513 L517 T552L207-L290 HydrophobicContact CD2-CD1 3.34Å; L207-L290 HydrophobicContact CD2-CG 4.08Å; T208-L290 HydrophobicContact CG2-CD2 3.61Å; T208-L290 HydrophobicContact CG2-CG 4.29Å; T208-L290 WeakPolarHBondContact OG1-CG 3.31Å; W286-L290 HydrophobicContact CZ3-CD2 4.33Å; W286-L290 PolarHBondContact O-N 3.01Å; L287-L290 HydrophobicContact CD2-CD2 4.24Å; L287-L290 WeakPolarHBondContact O-CB 3.35Å; L287-L290 PolarHBondContact O-N 3.16Å; H288-L290 VanDerWaalsContact C-N 3.32Å; L290-L292 VanDerWaalsContact C-N 3.29Å; L290-L292 PolarHBondContact O-N 3.11Å; L290-V293 PolarHBondContact O-N 3.43Å; L290-D294 PolarHBondContact O-N 2.76Å; L290-F513 HydrophobicContact CD1-CE1 4.09Å; L290-F513 HydrophobicContact CD1-CZ 3.84Å; L290-L517 HydrophobicContact CD1-CD1 3.45Å; L290-L517 VanDerWaalsContact CD1-CD1 3.45Å; L290-L517 HydrophobicContact CD1-CD2 3.67Å; L290-L517 HydrophobicContact CD1-CG 4.22Å; L290-T552 HydrophobicContact CD1-CG2 4.14Å; L290-T552 HydrophobicContact CD2-CG2 4.47Å
291I98.1Very high96.4Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-66.5-30.8178.3-63-60.7000111.7L204 L205 T208 V235 L236 V264 F279 L287 V293 D294 A295L204-I291 HydrophobicContact CD2-CG2 4.05Å; L205-I291 HydrophobicContact CD2-CD1 3.66Å; T208-I291 HydrophobicContact CG2-CD1 4.03Å; V235-I291 HydrophobicContact CG1-CD1 3.93Å; V235-I291 HydrophobicContact CG1-CG1 4.49Å; V235-I291 HydrophobicContact CG1-CG2 3.95Å; L236-I291 HydrophobicContact CD1-CG1 4.13Å; L236-I291 HydrophobicContact CD2-CD1 4.26Å; L236-I291 HydrophobicContact CD2-CG1 4.06Å; L236-I291 HydrophobicContact CG-CG1 4.17Å; V264-I291 HydrophobicContact CG1-CG2 4.04Å; F279-I291 HydrophobicContact CE1-CB 4.06Å; F279-I291 HydrophobicContact CE1-CG2 3.88Å; F279-I291 HydrophobicContact CZ-CB 4.28Å; F279-I291 HydrophobicContact CZ-CG2 3.8Å; L287-I291 WeakPolarHBondContact O-CG1 3.26Å; L287-I291 PolarHBondContact O-N 3.24Å; I291-V293 VanDerWaalsContact C-N 3.34Å; I291-V293 PolarHBondContact O-N 3.35Å; I291-D294 PolarHBondContact O-N 2.8Å; I291-A295 VanDerWaalsContact O-CB 3.23Å; I291-A295 WeakPolarHBondContact O-CB 3.14Å; I291-A295 PolarHBondContact O-N 2.82Å
292L98.4Very high96.2Very high1 Ų123.9 Ų23.91%0.00513%0.125CC..Hα-helixtrans-61-42.5173.4176.360.6000111.7I101 I165 F167 F279 L283 H288 L290 A295 I296I101-L292 HydrophobicContact CD1-CD2 3.85Å; I165-L292 HydrophobicContact CD1-CD1 3.74Å; I165-L292 HydrophobicContact CG2-CD1 4.2Å; F167-L292 HydrophobicContact CZ-CD1 4.18Å; F167-L292 HydrophobicContact CZ-CD2 4.38Å; F279-L292 HydrophobicContact CZ-CB 4.21Å; L283-L292 HydrophobicContact CD1-CD2 3.75Å; L283-L292 HydrophobicContact CD2-CB 4.31Å; L283-L292 HydrophobicContact CD2-CD2 3.9Å; L283-L292 HydrophobicContact CG-CD2 4.45Å; H288-L292 VanDerWaalsContact O-CB 3.27Å; H288-L292 WeakPolarHBondContact O-CB 3.35Å; H288-L292 PolarHBondContact O-N 2.86Å; L290-L292 VanDerWaalsContact C-N 3.29Å; L290-L292 PolarHBondContact O-N 3.11Å; L292-A295 PolarHBondContact O-N 2.66Å; L292-I296 HydrophobicContact CD1-CD1 4.03Å; L292-I296 HydrophobicContact CD1-CG1 4.16Å; L292-I296 HydrophobicContact CG-CD1 3.99Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.42Å; L292-I296 PolarHBondContact O-N 3.37Å
293V97.7Very high96Very high12 Ų1228.7 Ų28.77%0.07314%0.143CC..Hα-helixtrans-62.4-44.3177.5177.60000110.8I101 L207 R289 L290 I291 I296 S297 L517 L518I101-V293 HydrophobicContact CG2-CG2 4.22Å; L207-V293 HydrophobicContact CD1-CG1 4.34Å; R289-V293 PolarHBondContact O-N 2.88Å; L290-V293 PolarHBondContact O-N 3.43Å; I291-V293 VanDerWaalsContact C-N 3.34Å; I291-V293 PolarHBondContact O-N 3.35Å; V293-I296 PolarHBondContact O-N 3.02Å; V293-S297 PolarHBondContact O-N 3.01Å; V293-L517 HydrophobicContact CG2-CD2 4.37Å; V293-L518 HydrophobicContact CG2-CD2 3.75Å
294D97.8Very high95.9Very high2 Ų229.1 Ų29.11%0.01115%0.145CC..Hα-helixtrans-64.9-40.9175.3-84.4-23.2000112.4L204 H206 L207 T208 L290 I291 I296 S297 Y298L204-D294 HydrophobicContact CD2-CB 3.48Å; L204-D294 VanDerWaalsContact CD2-CB 3.48Å; L204-D294 HydrophobicContact CG-CB 4.33Å; H206-D294 PolarHBondContact N-OD1 3.33Å; H206-D294 PolarHBondContact N-OD2 2.93Å; L207-D294 VanDerWaalsContact CB-OD1 3.24Å; L207-D294 WeakPolarHBondContact CB-OD1 3.29Å; L207-D294 PolarHBondContact N-OD1 2.75Å; T208-D294 WeakPolarHBondContact CB-OD2 3.45Å; T208-D294 PolarHBondContact N-OD2 2.74Å; T208-D294 PolarHBondContact OG1-OD2 2.82Å; L290-D294 PolarHBondContact O-N 2.76Å; I291-D294 PolarHBondContact O-N 2.8Å; D294-I296 PolarHBondContact O-N 3.18Å; D294-S297 PolarHBondContact O-N 3.38Å; D294-Y298 VanDerWaalsContact O-CB 3.25Å; D294-Y298 WeakPolarHBondContact O-CB 3.46Å; D294-Y298 PolarHBondContact O-N 3.12Å
295A98.4Very high96Very high0 Ų028.4 Ų28.40%013%0.127CC..Hα-helixtrans-62.4-41.2178.100000112.3I165 L204 V277 I291 L292 Y298 L299I165-A295 HydrophobicContact CD1-CB 3.81Å; I165-A295 HydrophobicContact CG1-CB 4.44Å; L204-A295 HydrophobicContact CD1-CB 4.06Å; V277-A295 HydrophobicContact CB-CB 4.04Å; V277-A295 HydrophobicContact CG1-CB 3.94Å; V277-A295 HydrophobicContact CG2-CB 3.96Å; I291-A295 VanDerWaalsContact O-CB 3.23Å; I291-A295 WeakPolarHBondContact O-CB 3.14Å; I291-A295 PolarHBondContact O-N 2.82Å; L292-A295 PolarHBondContact O-N 2.66Å; A295-Y298 PolarHBondContact O-N 3.46Å; A295-L299 WeakPolarHBondContact O-CB 3.37Å; A295-L299 WeakPolarHBondContact O-CG 3.49Å; A295-L299 PolarHBondContact O-N 2.85Å
296I98.4Very high95.9Very high2 Ų229.1 Ų29.11%0.0113%0.131CC..Hα-helixtrans-61.8-48.3175.4-68.6162.4000110.1L102 F107 L133 I165 L292 V293 D294 T300 L304L102-I296 HydrophobicContact CD2-CD1 3.76Å; F107-I296 HydrophobicContact CD2-CG2 4.03Å; F107-I296 HydrophobicContact CE2-CG2 3.83Å; L133-I296 HydrophobicContact CD2-CB 4.14Å; L133-I296 HydrophobicContact CD2-CG1 3.78Å; L133-I296 HydrophobicContact CD2-CG2 4.02Å; I165-I296 HydrophobicContact CD1-CG1 3.88Å; L292-I296 HydrophobicContact CD1-CD1 4.03Å; L292-I296 HydrophobicContact CD1-CG1 4.16Å; L292-I296 HydrophobicContact CG-CD1 3.99Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.42Å; L292-I296 PolarHBondContact O-N 3.37Å; V293-I296 PolarHBondContact O-N 3.02Å; D294-I296 PolarHBondContact O-N 3.18Å; I296-T300 WeakPolarHBondContact O-CB 3.49Å; I296-T300 WeakPolarHBondContact O-CG2 3.41Å; I296-T300 PolarHBondContact O-N 3.43Å; I296-T300 PolarHBondContact O-OG1 3.45Å; I296-L304 HydrophobicContact CG2-CB 3.79Å; I296-L304 HydrophobicContact CG2-CD1 4.31Å
297S96.8Very high95.8Very high5 Ų530 Ų304%0.03515%0.15CC..Hα-helixtrans-63-45.2178.7-175.60000111.7V293 D294 T300 D301 R302 L304 T305V293-S297 PolarHBondContact O-N 3.01Å; D294-S297 PolarHBondContact O-N 3.38Å; S297-T300 PolarHBondContact O-OG1 3.42Å; S297-D301 PolarHBondContact O-N 2.91Å; S297-R302 WeakPolarHBondContact O-CA 3.39Å; S297-R302 PolarHBondContact O-N 3.18Å; S297-L304 VanDerWaalsContact CA-O 3.31Å; S297-L304 WeakPolarHBondContact CA-O 3.33Å; S297-T305 VanDerWaalsContact OG-CB 3.31Å; S297-T305 WeakPolarHBondContact OG-CB 3.27Å; S297-T305 PolarHBondContact OG-OG1 3.07Å
298Y96.7Very high95.9Very high44 Ų4431.9 Ų31.917%0.17316%0.16CC..Hα-helixtrans-62.4-52.3-179.9177.5-98.4000112.5P203 L204 M268 D294 A295 T300 D301P203-Y298 HydrophobicContact CB-CE2 4.4Å; L204-Y298 HydrophobicContact CB-CD2 4.47Å; L204-Y298 HydrophobicContact CB-CG 4.33Å; L204-Y298 HydrophobicContact CG-CG 4.4Å; M268-Y298 WeakPolarHBondContact CE-OH 3.37Å; M268-Y298 PolarHBondContact SD-OH 2.88Å; D294-Y298 VanDerWaalsContact O-CB 3.25Å; D294-Y298 WeakPolarHBondContact O-CB 3.46Å; D294-Y298 PolarHBondContact O-N 3.12Å; A295-Y298 PolarHBondContact O-N 3.46Å; Y298-T300 VanDerWaalsContact C-N 3.26Å; Y298-T300 PolarHBondContact O-N 3.4Å; Y298-D301 PolarHBondContact O-N 3.21Å
299L97.4Very high95.9Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..Hα-helixtrans-73.1-17.9-175.2-70.4177.2000113.8L133 I164 I165 R275 V277 A295L133-L299 HydrophobicContact CD1-CB 3.72Å; L133-L299 HydrophobicContact CD1-CD1 3.9Å; I164-L299 WeakPolarHBondContact O-CD1 3.25Å; I165-L299 HydrophobicContact CD1-CD1 4.26Å; I165-L299 HydrophobicContact CG1-CD1 3.52Å; R275-L299 HydrophobicContact CB-CD2 3.63Å; V277-L299 HydrophobicContact CB-CD1 4.32Å; V277-L299 HydrophobicContact CG2-CD1 3.9Å; V277-L299 HydrophobicContact CG2-CD2 4.38Å; V277-L299 HydrophobicContact CG2-CG 4.13Å; A295-L299 WeakPolarHBondContact O-CB 3.37Å; A295-L299 WeakPolarHBondContact O-CG 3.49Å; A295-L299 PolarHBondContact O-N 2.85Å
300T95.8Very high95.9Very high3 Ų332.5 Ų32.52%0.01817%0.168CC..THydrogen-bonded Turntrans-96.58.8175.863.50000113.2L133 I296 S297 Y298 R302 K303 L304L133-T300 HydrophobicContact CB-CG2 3.8Å; L133-T300 HydrophobicContact CD2-CG2 4.23Å; L133-T300 HydrophobicContact CG-CG2 4.42Å; I296-T300 WeakPolarHBondContact O-CB 3.49Å; I296-T300 WeakPolarHBondContact O-CG2 3.41Å; I296-T300 PolarHBondContact O-N 3.43Å; I296-T300 PolarHBondContact O-OG1 3.45Å; S297-T300 PolarHBondContact O-OG1 3.42Å; Y298-T300 VanDerWaalsContact C-N 3.26Å; Y298-T300 PolarHBondContact O-N 3.4Å; T300-R302 PolarHBondContact O-N 2.99Å; T300-K303 VanDerWaalsContact O-CB 3.3Å; T300-K303 WeakPolarHBondContact O-CB 3.26Å; T300-K303 WeakPolarHBondContact O-CG 3.37Å; T300-K303 PolarHBondContact O-N 3.2Å; T300-L304 HydrophobicContact CG2-CB 4.24Å; T300-L304 HydrophobicContact CG2-CD1 4.06Å; T300-L304 HydrophobicContact CG2-CG 4.2Å; T300-L304 PolarHBondContact OG1-N 2.92Å; T300-L304 VanDerWaalsContact OG1-N 3.14Å
301D92.3Very high96Very high92 Ų9232.8 Ų32.849%0.49217%0.169SC..THydrogen-bonded Turntrans50.942.2-174.5-57.4-53.5000111.5R275 S297 Y298 K303R275-D301 IonicContact CZ-OD1 3.52Å; R275-D301 IonicContact CZ-OD2 2.8Å; R275-D301 IonicContact NH1-OD1 2.82Å; R275-D301 PolarHBondContact NH1-OD1 2.82Å; R275-D301 IonicContact NH1-OD2 2.62Å; R275-D301 IonicContact NH2-OD1 3.81Å; R275-D301 PolarHBondContact NH2-OD1 3.5Å; R275-D301 IonicContact NH2-OD2 3.3Å; R275-D301 PolarHBondContact NH2-OD2 2.83Å; S297-D301 PolarHBondContact O-N 2.91Å; Y298-D301 PolarHBondContact O-N 3.21Å; D301-K303 PolarHBondContact O-N 3.28Å
302R91.1Very high96Very high159 Ų15933.1 Ų33.160%0.617%0.171SC*.THydrogen-bonded Turntrans64.714.5-178.1-52.1-176.7177.4-169.8-1.2115.7S297 T300 L304 T305S297-R302 WeakPolarHBondContact O-CA 3.39Å; S297-R302 PolarHBondContact O-N 3.18Å; T300-R302 PolarHBondContact O-N 2.99Å; R302-L304 VanDerWaalsContact C-N 3.27Å; R302-L304 PolarHBondContact O-N 2.91Å; R302-T305 HydrophobicContact CB-CG2 4.18Å; R302-T305 WeakPolarHBondContact O-CG2 3.46Å
303K91.3Very high96Very high110 Ų11033.1 Ų33.148%0.47817%0.171SC..SBendtrans-61.9-37.2170.2-69.7171-179.3167.50111.6T79 T300 D301T79-K303 PolarHBondContact OG1-NZ 3.29Å; T300-K303 VanDerWaalsContact O-CB 3.3Å; T300-K303 WeakPolarHBondContact O-CB 3.26Å; T300-K303 WeakPolarHBondContact O-CG 3.37Å; T300-K303 PolarHBondContact O-N 3.2Å; D301-K303 PolarHBondContact O-N 3.28Å
304L94.6Very high96.1Very high10 Ų1032.5 Ų32.55%0.05217%0.167CC..SBendtrans-11287.8174.4-62.2-178000108.9P81 V83 F107 I296 S297 T300 R302P81-L304 HydrophobicContact CB-CD2 3.94Å; V83-L304 HydrophobicContact CG2-CD1 3.38Å; F107-L304 HydrophobicContact CB-CD2 4.48Å; F107-L304 HydrophobicContact CD1-CB 4.33Å; F107-L304 HydrophobicContact CD1-CD2 4.09Å; F107-L304 HydrophobicContact CD2-CB 4.23Å; F107-L304 HydrophobicContact CE1-CB 4.25Å; F107-L304 HydrophobicContact CE2-CB 4.15Å; F107-L304 HydrophobicContact CG-CB 4.33Å; F107-L304 HydrophobicContact CG-CD2 4.27Å; F107-L304 HydrophobicContact CZ-CB 4.16Å; I296-L304 HydrophobicContact CG2-CB 3.79Å; I296-L304 HydrophobicContact CG2-CD1 4.31Å; S297-L304 VanDerWaalsContact CA-O 3.31Å; S297-L304 WeakPolarHBondContact CA-O 3.33Å; T300-L304 HydrophobicContact CG2-CB 4.24Å; T300-L304 HydrophobicContact CG2-CD1 4.06Å; T300-L304 HydrophobicContact CG2-CG 4.2Å; T300-L304 PolarHBondContact OG1-N 2.92Å; T300-L304 VanDerWaalsContact OG1-N 3.14Å; R302-L304 VanDerWaalsContact C-N 3.27Å; R302-L304 PolarHBondContact O-N 2.91Å
305T94.5Very high96.1Very high56 Ų5632.4 Ų32.434%0.34417%0.167SC..  trans-139.2142.7-179.2-1610000111.5S297 R302S297-T305 VanDerWaalsContact OG-CB 3.31Å; S297-T305 WeakPolarHBondContact OG-CB 3.27Å; S297-T305 PolarHBondContact OG-OG1 3.07Å; R302-T305 HydrophobicContact CB-CG2 4.18Å; R302-T305 WeakPolarHBondContact O-CG2 3.46Å
306L92.4Very high96.1Very high23 Ų2332.4 Ų32.412%0.1217%0.167CC..  trans-90.9145.4166-60.6175.9000108.7A105 F107 L518A105-L306 HydrophobicContact CB-CD1 4.05Å; A105-L306 HydrophobicContact CB-CD2 4.36Å; A105-L306 HydrophobicContact CB-CG 4.42Å; F107-L306 HydrophobicContact CE1-CD2 4.26Å; F107-L306 HydrophobicContact CZ-CD2 4.31Å; F107-L306 HydrophobicContact CZ-CG 4.12Å; L306-L518 HydrophobicContact CD1-CD2 4.34Å
307G93.6Very high96Very high49 Ų4932.5 Ų32.551%0.50517%0.167SC..  trans-63.6170.8170.900000111.8R310G307-R310 PolarHBondContact O-NH1 2.93Å; G307-R310 PolarHBondContact O-NH2 3.01Å
308L96.9Very high96Very high39 Ų3933.3 Ų33.320%0.20417%0.171CC..SBendtrans-87.9-17.9176.5-65.6179.2000113.3L207 N553 L554 K555L207-L308 HydrophobicContact CB-CD2 4.5Å; L308-N553 HydrophobicContact CD1-CB 4.33Å; L308-N553 HydrophobicContact CD2-CB 4.3Å; L308-L554 HydrophobicContact CD2-CD2 4.49Å; L308-L554 VanDerWaalsContact O-CA 3.31Å; L308-L554 WeakPolarHBondContact O-CA 3.34Å; L308-L554 WeakPolarHBondContact O-CD2 3.36Å; L308-K555 PolarHBondContact O-N 3.26Å
309D97.7Very high96.1Very high74 Ų7431.2 Ų31.240%0.39616%0.163SC..EExtended strand (participates in β ladder)trans-76.5134.2-179.9-55.9-81.4000111.3K555 H557D309-K555 CarbonylContact C-O 3.29Å; D309-K555 WeakPolarHBondContact CA-O 3.45Å; D309-H557 IonicContact OD1-CD2 3.99Å; D309-H557 IonicContact OD1-NE2 3.5Å; D309-H557 PolarHBondContact OD1-NE2 3.43Å
310R98Very high96.1Very high1 Ų131.2 Ų31.20%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-128.6136.5174-62.6-67.2178.1-80.5-2109.7G307 V516 L517 N519 P520 L554 K555 L556 H557G307-R310 PolarHBondContact O-NH1 2.93Å; G307-R310 PolarHBondContact O-NH2 3.01Å; R310-V516 HydrophobicContact CB-CG1 4.29Å; R310-V516 WeakPolarHBondContact CD-O 3.43Å; R310-V516 HydrophobicContact CG-CG1 4.24Å; R310-V516 PolarHBondContact NE-O 3.33Å; R310-L517 PolarHBondContact NE-O 2.6Å; R310-L517 VanDerWaalsContact NE-O 3.16Å; R310-L517 PolarHBondContact NH2-O 2.76Å; R310-N519 WeakPolarHBondContact CD-O 3.46Å; R310-P520 WeakPolarHBondContact CA-O 3.49Å; R310-L554 HydrophobicContact CG-CB 4.41Å; R310-L554 HydrophobicContact CG-CD1 4.09Å; R310-L554 HydrophobicContact CG-CD2 4Å; R310-L554 HydrophobicContact CG-CG 4.39Å; R310-K555 PolarHBondContact N-O 2.89Å; R310-L556 HydrophobicContact CB-CD2 3.67Å; R310-L556 HydrophobicContact CG-CD2 4.14Å; R310-L556 CarbonylContact O-C 3.49Å; R310-L556 WeakPolarHBondContact O-CA 3.42Å; R310-H557 PolarHBondContact O-N 3.31Å
311H98.5Very high95.9Very high6 Ų632.1 Ų32.13%0.02817%0.168CC..EExtended strand (participates in β ladder)trans-108.4123.7176.2-55.272.4000109.3P520 I521 S522 H557 L559 L564 K567H311-P520 PolarHBondContact N-O 3.26Å; H311-P520 PolarHBondContact ND1-O 2.88Å; H311-I521 HydrophobicContact CB-CG1 4.09Å; H311-I521 CarbonylContact O-C 3.56Å; H311-I521 WeakPolarHBondContact O-CA 3.44Å; H311-S522 PolarHBondContact O-N 2.95Å; H311-H557 CarbonylContact C-O 3.47Å; H311-H557 WeakPolarHBondContact CA-O 3.16Å; H311-L559 VanDerWaalsContact CD2-CD1 3.42Å; H311-L559 WeakPolarHBondContact CD2-CD1 3.27Å; H311-L564 HydrophobicContact CB-CD1 3.46Å; H311-L564 VanDerWaalsContact CB-CD1 3.46Å; H311-K567 WeakPolarHBondContact CE1-CE 3.48Å; H311-K567 PolarHBondContact CE1-NZ 2.94Å; H311-K567 VanDerWaalsContact NE2-CE 3.34Å; H311-K567 WeakPolarHBondContact NE2-CE 3.43Å; H311-K567 PolarHBondContact NE2-NZ 3.22Å
312V98.3Very high95.6Very high6 Ų629.2 Ų29.24%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-119.3125-179.6-178.60000108.4V314 V516 S522 F524 H557 T558V312-V314 HydrophobicContact CG1-CG2 4.24Å; V312-V516 HydrophobicContact CG2-CG1 4.32Å; V312-S522 WeakPolarHBondContact CA-O 3.22Å; V312-F524 HydrophobicContact CG1-CD2 3.97Å; V312-F524 HydrophobicContact CG1-CE2 3.99Å; V312-H557 PolarHBondContact N-O 3.35Å; V312-T558 WeakPolarHBondContact O-CB 3.34Å; V312-T558 PolarHBondContact O-OG1 3.43Å
313L98.3Very high95.4Very high1 Ų130 Ų301%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-120133.7168.8179.268.6000107.8D315 N353 W383 S522 I523 F524 T558 P561 L564L313-D315 WeakPolarHBondContact CD2-OD1 3.24Å; L313-N353 HydrophobicContact CD1-CB 4.07Å; L313-W383 HydrophobicContact CD1-CE3 4.15Å; L313-W383 HydrophobicContact CD1-CZ3 3.99Å; L313-S522 PolarHBondContact N-O 2.92Å; L313-I523 HydrophobicContact CB-CG1 4.31Å; L313-I523 HydrophobicContact CB-CG2 4.36Å; L313-I523 HydrophobicContact CD2-CG1 4.41Å; L313-I523 HydrophobicContact CD2-CG2 4.04Å; L313-I523 HydrophobicContact CG-CG2 4.36Å; L313-I523 CarbonylContact O-C 3.59Å; L313-I523 WeakPolarHBondContact O-CA 3.37Å; L313-F524 PolarHBondContact O-N 2.83Å; L313-T558 HydrophobicContact CD1-CG2 4.36Å; L313-P561 HydrophobicContact CD2-CG 4.11Å; L313-L564 HydrophobicContact CB-CD2 4Å; L313-L564 HydrophobicContact CD2-CD2 4.14Å
314V98.6Very high95.3Very high0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-116.2108.9176-1780000107.8V312 F350 F352 N353 T526 Y531 F541V312-V314 HydrophobicContact CG1-CG2 4.24Å; V314-F350 HydrophobicContact CB-CZ 4.31Å; V314-F350 HydrophobicContact CG2-CE2 3.99Å; V314-F350 HydrophobicContact CG2-CZ 4.09Å; V314-F352 HydrophobicContact CB-CD1 4.02Å; V314-F352 HydrophobicContact CB-CE1 4.17Å; V314-F352 HydrophobicContact CG1-CD1 3.92Å; V314-F352 HydrophobicContact CG1-CE1 3.89Å; V314-N353 PolarHBondContact O-N 3.2Å; V314-N353 VanDerWaalsContact O-N 3.15Å; V314-T526 HydrophobicContact CG1-CG2 4.45Å; V314-Y531 WeakPolarHBondContact CG1-OH 3.36Å; V314-F541 HydrophobicContact CB-CE2 4.41Å; V314-F541 HydrophobicContact CB-CZ 4.49Å; V314-F541 HydrophobicContact CG1-CD2 4.06Å; V314-F541 HydrophobicContact CG1-CE2 3.48Å; V314-F541 VanDerWaalsContact CG1-CE2 3.48Å; V314-F541 HydrophobicContact CG1-CZ 3.84Å; V314-F541 HydrophobicContact CG2-CD1 4Å; V314-F541 HydrophobicContact CG2-CD2 4.18Å; V314-F541 HydrophobicContact CG2-CE1 3.81Å; V314-F541 HydrophobicContact CG2-CE2 3.98Å; V314-F541 HydrophobicContact CG2-CG 4.2Å; V314-F541 HydrophobicContact CG2-CZ 3.8Å
315D98.3Very high94.9Very high0 Ų033 Ų330%020%0.195CC..EExtended strand (participates in β ladder)trans-93.1129176-74.8-9.1000108.6L313 N353 F385 Y425 R481 F524 T526L313-D315 WeakPolarHBondContact CD2-OD1 3.24Å; D315-N353 CarbonylContact C-O 3.35Å; D315-N353 WeakPolarHBondContact CA-O 3.26Å; D315-N353 WeakPolarHBondContact OD1-CB 3.42Å; D315-N353 PolarHBondContact OD1-ND2 3.2Å; D315-F385 HydrophobicContact CB-CE1 4.11Å; D315-F385 HydrophobicContact CB-CZ 4.14Å; D315-Y425 WeakPolarHBondContact OD2-CE1 3.39Å; D315-Y425 PolarHBondContact OD2-OH 3.09Å; D315-R481 IonicContact OD2-CZ 3.19Å; D315-R481 IonicContact OD2-NE 3.9Å; D315-R481 IonicContact OD2-NH2 2.67Å; D315-F524 PolarHBondContact N-O 3.37Å; D315-T526 PolarHBondContact O-N 3.45Å; D315-T526 PolarHBondContact O-OG1 3.36Å
316I98.1Very high94.6Very high0 Ų032.1 Ų32.10%019%0.19CC..EExtended strand (participates in β ladder)trans-105.895.2173.8-49.6-178.1000107I319 L336 F352 N353 L354 G355 Y531I316-I319 HydrophobicContact CB-CD1 4.37Å; I316-I319 HydrophobicContact CG2-CD1 3.73Å; I316-I319 HydrophobicContact CG2-CG1 4.47Å; I316-L336 HydrophobicContact CD1-CD1 3.96Å; I316-L336 HydrophobicContact CD1-CD2 4.37Å; I316-F352 HydrophobicContact CD1-CB 4.09Å; I316-F352 HydrophobicContact CD1-CD1 3.77Å; I316-F352 HydrophobicContact CD1-CE1 4.38Å; I316-F352 HydrophobicContact CD1-CG 4.02Å; I316-F352 HydrophobicContact CG1-CD1 4.18Å; I316-N353 PolarHBondContact N-O 3.43Å; I316-L354 HydrophobicContact CD1-CD1 4.1Å; I316-G355 PolarHBondContact O-N 3.01Å; I316-Y531 HydrophobicContact CB-CE2 4.12Å; I316-Y531 HydrophobicContact CD1-CD1 4.22Å; I316-Y531 HydrophobicContact CD1-CD2 3.87Å; I316-Y531 HydrophobicContact CD1-CE1 3.88Å; I316-Y531 HydrophobicContact CD1-CE2 3.52Å; I316-Y531 HydrophobicContact CD1-CG 4.21Å; I316-Y531 HydrophobicContact CG1-CD2 4.2Å; I316-Y531 HydrophobicContact CG1-CE2 3.49Å; I316-Y531 VanDerWaalsContact CG1-CE2 3.49Å; I316-Y531 HydrophobicContact CG2-CD2 3.71Å; I316-Y531 HydrophobicContact CG2-CE2 3.66Å
317D97.6Very high94.7Very high3 Ų331.2 Ų31.22%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-71.4170.4175.2-64.29.4000109.2I319 F385 H387 R481 T526 H527 L528D317-I319 VanDerWaalsContact C-N 3.32Å; D317-I319 PolarHBondContact O-N 3.3Å; D317-F385 VanDerWaalsContact OD1-CZ 3.24Å; D317-F385 WeakPolarHBondContact OD1-CZ 3.45Å; D317-H387 IonicContact OD2-CE1 3.53Å; D317-R481 VanDerWaalsContact CG-NH2 3.27Å; D317-R481 IonicContact OD1-CZ 3.05Å; D317-R481 IonicContact OD1-NH1 3.31Å; D317-R481 PolarHBondContact OD1-NH1 3.18Å; D317-R481 IonicContact OD1-NH2 2.74Å; D317-R481 PolarHBondContact OD1-NH2 2.9Å; D317-R481 IonicContact OD2-CZ 2.77Å; D317-R481 IonicContact OD2-NH1 2.72Å; D317-R481 PolarHBondContact OD2-NH1 2.9Å; D317-R481 IonicContact OD2-NH2 2.74Å; D317-R481 PolarHBondContact OD2-NH2 3.12Å; D317-T526 PolarHBondContact N-O 2.83Å; D317-H527 CarbonylContact O-C 3.6Å; D317-H527 WeakPolarHBondContact O-CA 3.44Å; D317-L528 PolarHBondContact O-N 3.17Å
318D96.9Very high94.8Very high23 Ų2328.9 Ų28.912%0.12316%0.16CC..EExtended strand (participates in β ladder)trans65.127.4171.3-64.1-1000115.1F320 V321 G355 H387 H391 H527 L528D318-F320 PolarHBondContact O-N 2.81Å; D318-V321 HydrophobicContact CB-CB 3.82Å; D318-V321 HydrophobicContact CB-CG1 4.44Å; D318-V321 HydrophobicContact CB-CG2 4.48Å; D318-V321 WeakPolarHBondContact O-CA 3.41Å; D318-V321 WeakPolarHBondContact O-CB 3.26Å; D318-V321 PolarHBondContact O-N 3.07Å; D318-V321 VanDerWaalsContact O-O 3.05Å; D318-G355 PolarHBondContact N-O 3.43Å; D318-H387 IonicContact OD1-CD2 3.5Å; D318-H387 PolarHBondContact OD1-CD2 2.93Å; D318-H387 IonicContact OD1-NE2 3.59Å; D318-H387 PolarHBondContact OD1-NE2 3.4Å; D318-H391 IonicContact OD1-CD2 3.23Å; D318-H391 PolarHBondContact OD1-CD2 3.46Å; D318-H391 IonicContact OD1-CE1 3.76Å; D318-H391 IonicContact OD1-NE2 2.7Å; D318-H391 PolarHBondContact OD1-NE2 2.85Å; D318-H527 HydrophobicContact CB-CB 4.47Å; D318-H527 IonicContact OD2-CD2 3.46Å; D318-H527 PolarHBondContact OD2-CD2 3.49Å; D318-L528 VanDerWaalsContact O-CB 3.25Å; D318-L528 WeakPolarHBondContact O-CB 3.35Å
319I97.9Very high94.8Very high0 Ų029.2 Ų29.20%016%0.162CC..EExtended strand (participates in β ladder)trans-61.7128.8170-58.9-65.4000109.6I316 D317 V321 M328 L354 G355 F356 S357 L375 W384 L528I316-I319 HydrophobicContact CB-CD1 4.37Å; I316-I319 HydrophobicContact CG2-CD1 3.73Å; I316-I319 HydrophobicContact CG2-CG1 4.47Å; D317-I319 VanDerWaalsContact C-N 3.32Å; D317-I319 PolarHBondContact O-N 3.3Å; I319-V321 PolarHBondContact O-N 3.28Å; I319-M328 HydrophobicContact CD1-CE 3.78Å; I319-L354 HydrophobicContact CD1-CB 4.45Å; I319-L354 HydrophobicContact CD1-CD2 4.15Å; I319-L354 HydrophobicContact CD1-CG 3.9Å; I319-L354 HydrophobicContact CG1-CB 3.84Å; I319-L354 HydrophobicContact CG1-CD2 4.29Å; I319-L354 HydrophobicContact CG1-CG 3.86Å; I319-G355 WeakPolarHBondContact CB-O 3.46Å; I319-G355 PolarHBondContact N-O 2.68Å; I319-F356 HydrophobicContact CB-CB 4.06Å; I319-F356 HydrophobicContact CG2-CB 4.27Å; I319-S357 PolarHBondContact O-N 3.21Å; I319-S357 VanDerWaalsContact O-N 3.15Å; I319-L375 HydrophobicContact CG2-CD1 4.19Å; I319-W384 HydrophobicContact CG2-CZ3 4.03Å; I319-L528 HydrophobicContact CD1-CB 4.28Å; I319-L528 HydrophobicContact CD1-CD1 4.13Å
320F96.8Very high94.7Very high0 Ų026.6 Ų26.60%015%0.151CC..THydrogen-bonded Turntrans68.3-5.1-165.8-45.8-50.9000115.8D318 R327 F356 F360 Y361 D372 L375 L376 F413D318-F320 PolarHBondContact O-N 2.81Å; F320-R327 PolarHBondContact O-NH1 3.28Å; F320-R327 PolarHBondContact O-NH2 3.41Å; F320-F356 HydrophobicContact CD2-CB 4.2Å; F320-F356 HydrophobicContact CE2-CB 4.21Å; F320-F360 HydrophobicContact CB-CB 4.34Å; F320-F360 CarbonylContact O-C 3.5Å; F320-F360 WeakPolarHBondContact O-CB 3.44Å; F320-Y361 HydrophobicContact CD1-CD2 4.02Å; F320-Y361 AromaticContact CE1-CD2 3.82Å; F320-Y361 HydrophobicContact CE1-CD2 3.82Å; F320-Y361 HydrophobicContact CE1-CE2 4.38Å; F320-Y361 HydrophobicContact CG-CD2 4.48Å; F320-Y361 HydrophobicContact CZ-CD2 4.11Å; F320-D372 HydrophobicContact CD1-CB 3.95Å; F320-D372 VanDerWaalsContact CD1-CG 3.45Å; F320-D372 WeakPolarHBondContact CD1-OD1 3.49Å; F320-D372 HydrophobicContact CE1-CB 3.76Å; F320-L375 HydrophobicContact CE1-CD1 4.38Å; F320-L376 HydrophobicContact CE2-CD2 4.42Å; F320-L376 HydrophobicContact CZ-CD1 4.3Å; F320-L376 HydrophobicContact CZ-CD2 3.82Å; F320-L376 HydrophobicContact CZ-CG 3.99Å; F320-F413 HydrophobicContact CD2-CE1 4.35Å; F320-F413 HydrophobicContact CD2-CZ 4.4Å; F320-F413 AromaticContact CE2-CE1 3.85Å; F320-F413 HydrophobicContact CE2-CE1 3.85Å; F320-F413 HydrophobicContact CE2-CZ 4.02Å
321V92.7Very high94.7Very high22 Ų2234 Ų3413%0.13318%0.183CC..  trans-96130.5178.1-174.30000109.3D318 I319 F360 H391D318-V321 HydrophobicContact CB-CB 3.82Å; D318-V321 HydrophobicContact CB-CG1 4.44Å; D318-V321 HydrophobicContact CB-CG2 4.48Å; D318-V321 WeakPolarHBondContact O-CA 3.41Å; D318-V321 WeakPolarHBondContact O-CB 3.26Å; D318-V321 PolarHBondContact O-N 3.07Å; D318-V321 VanDerWaalsContact O-O 3.05Å; I319-V321 PolarHBondContact O-N 3.28Å; V321-F360 HydrophobicContact CG2-CD2 3.78Å; V321-F360 HydrophobicContact CG2-CE2 4.21Å; V321-F360 HydrophobicContact CG2-CG 4.46Å; V321-H391 HydrophobicContact CG1-CB 4.46Å; V321-H391 HydrophobicContact CG2-CB 4.15Å
322G84.8Confident94.7Very high32 Ų3233.9 Ų33.933%0.3318%0.183SC..SBendtrans160.5158.317800000112.2
323K87.2Confident94.7Very high174 Ų17433.6 Ų33.676%0.75718%0.181SC*.  trans-78.4150.8172.4-66.2-177.3179.3-179.40109.5G325 T326K323-G325 PolarHBondContact O-N 3.15Å; K323-T326 PolarHBondContact N-OG1 3.43Å; K323-T326 PolarHBondContact O-N 3.13Å; K323-T326 PolarHBondContact O-OG1 2.9Å
324E88.8Confident94.7Very high144 Ų14439.2 Ų39.267%0.67321%0.206SC*.THydrogen-bonded Turntrans-48.8135.7169.8-167.6-174149.100111.2T326 T365E324-T326 VanDerWaalsContact C-N 3.3Å; E324-T326 PolarHBondContact O-N 3.01Å; E324-T365 HydrophobicContact CG-CG2 3.4Å; E324-T365 VanDerWaalsContact CG-CG2 3.4Å; E324-T365 WeakPolarHBondContact OE1-CG2 3.49Å
325G87.4Confident94.7Very high41 Ų4140 Ų4042%0.42321%0.212SC..THydrogen-bonded Turntrans83.8-2.8-177.200000114.8K323 E368 N533K323-G325 PolarHBondContact O-N 3.15Å; G325-E368 VanDerWaalsContact CA-OE1 3.24Å; G325-E368 WeakPolarHBondContact CA-OE1 3.23Å; G325-E368 PolarHBondContact N-OE1 2.89Å; G325-E368 PolarHBondContact N-OE2 2.82Å; G325-N533 PolarHBondContact O-ND2 3.02Å
326T88.5Confident94.7Very high37 Ų3740 Ų4023%0.22721%0.212CC..SBendtrans-113.1-6.2176.863.20000113.7K323 E324 E368 T490K323-T326 PolarHBondContact N-OG1 3.43Å; K323-T326 PolarHBondContact O-N 3.13Å; K323-T326 PolarHBondContact O-OG1 2.9Å; E324-T326 VanDerWaalsContact C-N 3.3Å; E324-T326 PolarHBondContact O-N 3.01Å; T326-E368 PolarHBondContact N-OE1 3.35Å; T326-T490 WeakPolarHBondContact CB-OG1 3.48Å; T326-T490 VanDerWaalsContact CG2-OG1 3.31Å; T326-T490 WeakPolarHBondContact CG2-OG1 3.38Å
327R93.1Very high94.7Very high3 Ų340.7 Ų40.71%0.01122%0.216CC..SBendtrans-84.4168.1-173.6-49.6166.467.694-6.5111.1F320 F360 T363 E368 D372 L528F320-R327 PolarHBondContact O-NH1 3.28Å; F320-R327 PolarHBondContact O-NH2 3.41Å; R327-F360 PolarHBondContact NH2-O 3.28Å; R327-T363 PolarHBondContact NH1-OG1 2.58Å; R327-E368 HydrophobicContact CB-CB 4.04Å; R327-E368 HydrophobicContact CB-CG 3.88Å; R327-E368 WeakPolarHBondContact CB-OE1 3.44Å; R327-E368 WeakPolarHBondContact CD-OE2 3.43Å; R327-E368 PolarHBondContact N-OE1 3.19Å; R327-D372 IonicContact CZ-OD2 3.6Å; R327-D372 IonicContact NE-OD2 2.96Å; R327-D372 IonicContact NH2-OD1 3.97Å; R327-D372 PolarHBondContact NH2-OD1 3.32Å; R327-D372 IonicContact NH2-OD2 3.83Å; R327-D372 PolarHBondContact NH2-OD2 2.97Å; R327-L528 HydrophobicContact CB-CD2 4.08Å; R327-L528 HydrophobicContact CG-CD2 4.45Å
328M95.5Very high94.7Very high0 Ų045.7 Ų45.70%024%0.239CC..  trans-76.3130.6173-71.3-172.4-74.600109.9I319 D332 V333 L336 L375 L528 Y531I319-M328 HydrophobicContact CD1-CE 3.78Å; M328-D332 HydrophobicContact CB-CB 3.94Å; M328-D332 HydrophobicContact CG-CB 4.07Å; M328-V333 HydrophobicContact CB-CG2 4.23Å; M328-L336 HydrophobicContact SD-CD2 4.39Å; M328-L375 HydrophobicContact CE-CD1 3.79Å; M328-L375 HydrophobicContact CE-CD2 4.33Å; M328-L528 HydrophobicContact CE-CD1 3.81Å; M328-L528 HydrophobicContact CE-CG 3.8Å; M328-L528 HydrophobicContact CG-CG 4.27Å; M328-Y531 VanDerWaalsContact SD-CB 3.57Å
329N96.9Very high94.8Very high46 Ų4645.4 Ų45.425%0.24624%0.238CC..  trans-93.6177165.961.858.7000111.2K331 D332 V333 E367N329-K331 PolarHBondContact O-N 3.05Å; N329-K331 VanDerWaalsContact O-N 3.07Å; N329-K331 WeakPolarHBondContact OD1-CA 3.19Å; N329-K331 VanDerWaalsContact OD1-CB 3.23Å; N329-K331 WeakPolarHBondContact OD1-CB 3.4Å; N329-K331 PolarHBondContact OD1-N 2.72Å; N329-D332 PolarHBondContact N-OD2 2.68Å; N329-D332 VanDerWaalsContact N-OD2 3.08Å; N329-D332 PolarHBondContact ND2-OD2 2.9Å; N329-D332 WeakPolarHBondContact O-CB 3.47Å; N329-D332 PolarHBondContact O-N 2.67Å; N329-D332 PolarHBondContact OD1-N 3.28Å; N329-D332 PolarHBondContact OD1-OD2 3.31Å; N329-V333 PolarHBondContact O-N 2.81Å; N329-V333 VanDerWaalsContact O-N 3.13Å; N329-E367 WeakPolarHBondContact CA-O 3.41Å; N329-E367 HydrophobicContact CB-CB 4.36Å; N329-E367 VanDerWaalsContact CB-O 3.25Å; N329-E367 WeakPolarHBondContact CB-O 3.46Å
330A97.6Very high94.8Very high20 Ų2045.5 Ų45.517%0.16524%0.238CC..Hα-helixtrans-55-29179.200000114.9K334 L374A330-K334 VanDerWaalsContact O-CG 3.29Å; A330-K334 WeakPolarHBondContact O-CG 3.35Å; A330-K334 PolarHBondContact O-N 2.89Å; A330-L374 HydrophobicContact CB-CD2 3.96Å; A330-L374 WeakPolarHBondContact O-CD2 3.46Å
331K97.9Very high94.9Very high155 Ų15550.7 Ų50.767%0.67426%0.261SS*.Hα-helixtrans-73.9-34.8176.1-59.3176-179.5168.40111.5N329 A335 R535N329-K331 PolarHBondContact O-N 3.05Å; N329-K331 VanDerWaalsContact O-N 3.07Å; N329-K331 WeakPolarHBondContact OD1-CA 3.19Å; N329-K331 VanDerWaalsContact OD1-CB 3.23Å; N329-K331 WeakPolarHBondContact OD1-CB 3.4Å; N329-K331 PolarHBondContact OD1-N 2.72Å; K331-A335 PolarHBondContact O-N 3.31Å; K331-A335 VanDerWaalsContact O-N 3.07Å; K331-R535 VanDerWaalsContact C-NH2 3.3Å; K331-R535 PolarHBondContact O-NH2 2.63Å
332D97.7Very high95.1Very high5 Ų553.7 Ų53.73%0.02727%0.274CS..Hα-helixtrans-69.4-43.8178.9-60.2-34.4000110.7M328 N329 K334 A335 L336 R535M328-D332 HydrophobicContact CB-CB 3.94Å; M328-D332 HydrophobicContact CG-CB 4.07Å; N329-D332 PolarHBondContact N-OD2 2.68Å; N329-D332 VanDerWaalsContact N-OD2 3.08Å; N329-D332 PolarHBondContact ND2-OD2 2.9Å; N329-D332 WeakPolarHBondContact O-CB 3.47Å; N329-D332 PolarHBondContact O-N 2.67Å; N329-D332 PolarHBondContact OD1-N 3.28Å; N329-D332 PolarHBondContact OD1-OD2 3.31Å; D332-K334 PolarHBondContact O-N 2.79Å; D332-A335 CarbonylContact O-C 3.52Å; D332-A335 WeakPolarHBondContact O-CA 3.45Å; D332-A335 WeakPolarHBondContact O-CB 3.31Å; D332-A335 PolarHBondContact O-N 3.11Å; D332-A335 VanDerWaalsContact O-N 3.08Å; D332-L336 PolarHBondContact O-N 2.97Å; D332-R535 IonicContact OD1-CZ 2.63Å; D332-R535 IonicContact OD1-NE 2.67Å; D332-R535 PolarHBondContact OD1-NE 3.09Å; D332-R535 IonicContact OD1-NH2 3.47Å; D332-R535 PolarHBondContact OD1-NH2 3.34Å
333V98.2Very high95.8Very high0 Ų052.2 Ų52.20%026%0.258CS..Hα-helixtrans-61.8-41.3175.5178.70000111.8M328 N329 A335 L336 L337 L374 L375M328-V333 HydrophobicContact CB-CG2 4.23Å; N329-V333 PolarHBondContact O-N 2.81Å; N329-V333 VanDerWaalsContact O-N 3.13Å; V333-A335 VanDerWaalsContact C-N 3.33Å; V333-A335 PolarHBondContact O-N 3.37Å; V333-L336 WeakPolarHBondContact O-CB 3.36Å; V333-L336 PolarHBondContact O-N 3.4Å; V333-L337 PolarHBondContact O-N 3.38Å; V333-L337 VanDerWaalsContact O-N 3.09Å; V333-L374 HydrophobicContact CB-CB 4.47Å; V333-L374 HydrophobicContact CB-CD2 4.14Å; V333-L374 HydrophobicContact CB-CG 4.44Å; V333-L374 HydrophobicContact CG1-CB 4.17Å; V333-L374 HydrophobicContact CG1-CD2 4.14Å; V333-L374 HydrophobicContact CG1-CG 3.99Å; V333-L375 HydrophobicContact CB-CD2 4.49Å; V333-L375 HydrophobicContact CG1-CD2 3.81Å; V333-L375 HydrophobicContact CG1-CG 4.05Å; V333-L375 HydrophobicContact CG2-CD1 4.33Å; V333-L375 HydrophobicContact CG2-CD2 3.97Å; V333-L375 HydrophobicContact CG2-CG 3.71Å
334K98.3Very high96.3Very high119 Ų11948.5 Ų48.552%0.51724%0.239SC..Hα-helixtrans-60.8-42.5172.5-74.3170.4-174.8172.40111.7A330 D332 L336 L337 E338 L374A330-K334 VanDerWaalsContact O-CG 3.29Å; A330-K334 WeakPolarHBondContact O-CG 3.35Å; A330-K334 PolarHBondContact O-N 2.89Å; D332-K334 PolarHBondContact O-N 2.79Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-L337 PolarHBondContact O-N 3.49Å; K334-E338 WeakPolarHBondContact O-CG 3.31Å; K334-E338 PolarHBondContact O-N 2.93Å; K334-L374 HydrophobicContact CD-CD2 4.47Å; K334-L374 HydrophobicContact CG-CD2 3.96Å
335A98.4Very high96.7Very high16 Ų1645 Ų4513%0.13223%0.231CC..Hα-helixtrans-66.4-35.7177.400000112.5K331 D332 V333 E338 T339 R535 L538K331-A335 PolarHBondContact O-N 3.31Å; K331-A335 VanDerWaalsContact O-N 3.07Å; D332-A335 CarbonylContact O-C 3.52Å; D332-A335 WeakPolarHBondContact O-CA 3.45Å; D332-A335 WeakPolarHBondContact O-CB 3.31Å; D332-A335 PolarHBondContact O-N 3.11Å; D332-A335 VanDerWaalsContact O-N 3.08Å; V333-A335 VanDerWaalsContact C-N 3.33Å; V333-A335 PolarHBondContact O-N 3.37Å; A335-E338 PolarHBondContact O-N 3.04Å; A335-T339 VanDerWaalsContact O-CB 3.24Å; A335-T339 WeakPolarHBondContact O-CB 3.46Å; A335-T339 PolarHBondContact O-N 3.48Å; A335-T339 PolarHBondContact O-OG1 2.64Å; A335-R535 VanDerWaalsContact CB-NH1 3.31Å; A335-L538 HydrophobicContact CB-CD1 3.9Å
336L98.4Very high97.1Very high0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-59.9-47.6173.9-177.365.8000111.1I316 M328 D332 V333 K334 T339 Q340 F352 L375 F382 Y531 L538I316-L336 HydrophobicContact CD1-CD1 3.96Å; I316-L336 HydrophobicContact CD1-CD2 4.37Å; M328-L336 HydrophobicContact SD-CD2 4.39Å; D332-L336 PolarHBondContact O-N 2.97Å; V333-L336 WeakPolarHBondContact O-CB 3.36Å; V333-L336 PolarHBondContact O-N 3.4Å; K334-L336 VanDerWaalsContact C-N 3.33Å; L336-T339 PolarHBondContact O-N 3.16Å; L336-Q340 WeakPolarHBondContact O-CB 3.38Å; L336-Q340 PolarHBondContact O-N 3.02Å; L336-F352 HydrophobicContact CD1-CD1 4.5Å; L336-F352 HydrophobicContact CD1-CD2 3.57Å; L336-F352 HydrophobicContact CD1-CE1 4.41Å; L336-F352 HydrophobicContact CD1-CE2 3.46Å; L336-F352 VanDerWaalsContact CD1-CE2 3.46Å; L336-F352 HydrophobicContact CD1-CG 4.11Å; L336-F352 HydrophobicContact CD1-CZ 3.91Å; L336-F352 HydrophobicContact CG-CD2 4.18Å; L336-F352 HydrophobicContact CG-CE2 4.34Å; L336-L375 HydrophobicContact CD2-CD2 4.39Å; L336-F382 HydrophobicContact CD2-CE1 3.86Å; L336-F382 HydrophobicContact CD2-CZ 3.78Å; L336-F382 HydrophobicContact CG-CE1 3.98Å; L336-F382 HydrophobicContact CG-CZ 4.07Å; L336-Y531 HydrophobicContact CD1-CD1 3.68Å; L336-Y531 HydrophobicContact CD1-CE1 3.98Å; L336-Y531 HydrophobicContact CD1-CG 4.41Å; L336-L538 HydrophobicContact CD1-CD2 3.73Å
337L98.2Very high97.6Very high15 Ų1544.6 Ų44.68%0.07921%0.213CC..Hα-helixtrans-63.1-46.7177.1-72.7166.5000112.7V333 K334 T339 Q340 K341 Y378 E381 F382V333-L337 PolarHBondContact O-N 3.38Å; V333-L337 VanDerWaalsContact O-N 3.09Å; K334-L337 PolarHBondContact O-N 3.49Å; L337-T339 VanDerWaalsContact C-N 3.32Å; L337-T339 PolarHBondContact O-N 3.09Å; L337-Q340 WeakPolarHBondContact O-CB 3.38Å; L337-Q340 PolarHBondContact O-N 3.35Å; L337-K341 WeakPolarHBondContact O-CG 3.05Å; L337-K341 PolarHBondContact O-N 2.7Å; L337-K341 VanDerWaalsContact O-N 3.11Å; L337-Y378 HydrophobicContact CD1-CD1 4.26Å; L337-Y378 HydrophobicContact CD1-CD2 3.46Å; L337-Y378 VanDerWaalsContact CD1-CD2 3.46Å; L337-Y378 HydrophobicContact CD1-CE1 4.5Å; L337-Y378 HydrophobicContact CD1-CE2 3.72Å; L337-Y378 HydrophobicContact CD1-CG 3.75Å; L337-E381 HydrophobicContact CD2-CB 3.77Å; L337-E381 HydrophobicContact CD2-CG 4.16Å; L337-F382 HydrophobicContact CD2-CE1 4.19Å; L337-F382 HydrophobicContact CD2-CE2 3.77Å; L337-F382 HydrophobicContact CD2-CZ 3.43Å; L337-F382 VanDerWaalsContact CD2-CZ 3.43Å; L337-F382 HydrophobicContact CG-CE2 4.36Å; L337-F382 HydrophobicContact CG-CZ 3.88Å
338E98.2Very high97.8Very high108 Ų10846.4 Ų46.451%0.50523%0.227SC..Hα-helixtrans-65-38.9178.4-68.9-51.7122.300111.7K334 A335 K341 Q342K334-E338 WeakPolarHBondContact O-CG 3.31Å; K334-E338 PolarHBondContact O-N 2.93Å; A335-E338 PolarHBondContact O-N 3.04Å; E338-K341 WeakPolarHBondContact O-CB 3.35Å; E338-K341 PolarHBondContact O-N 3.09Å; E338-K341 IonicContact OE1-NZ 2.69Å; E338-K341 PolarHBondContact OE1-NZ 3.26Å; E338-Q342 PolarHBondContact O-N 2.89Å
339T98.4Very high97.9Very high17 Ų1752.1 Ų52.110%0.10426%0.257CS..Hα-helixtrans-68.3-37.3175.9-57.20000111.8A335 L336 L337 K341 Q342 L343 L538 V542A335-T339 VanDerWaalsContact O-CB 3.24Å; A335-T339 WeakPolarHBondContact O-CB 3.46Å; A335-T339 PolarHBondContact O-N 3.48Å; A335-T339 PolarHBondContact O-OG1 2.64Å; L336-T339 PolarHBondContact O-N 3.16Å; L337-T339 VanDerWaalsContact C-N 3.32Å; L337-T339 PolarHBondContact O-N 3.09Å; T339-K341 VanDerWaalsContact C-N 3.32Å; T339-K341 PolarHBondContact O-N 2.92Å; T339-Q342 WeakPolarHBondContact O-CB 3.07Å; T339-Q342 PolarHBondContact O-N 2.9Å; T339-Q342 VanDerWaalsContact O-N 3.17Å; T339-L343 HydrophobicContact CG2-CD1 3.99Å; T339-L343 HydrophobicContact CG2-CG 4.2Å; T339-L343 WeakPolarHBondContact O-CB 3.32Å; T339-L343 WeakPolarHBondContact O-CG 3.4Å; T339-L343 PolarHBondContact O-N 2.82Å; T339-L538 HydrophobicContact CG2-CB 4.11Å; T339-L538 HydrophobicContact CG2-CD2 3.83Å; T339-L538 HydrophobicContact CG2-CG 4.46Å; T339-V542 HydrophobicContact CG2-CG2 3.44Å; T339-V542 VanDerWaalsContact CG2-CG2 3.44Å
340Q98.3Very high98Very high1 Ų150 Ų501%0.00525%0.245CC..Hα-helixtrans-57.5-46.1172.7177.7166-91.600110.9L336 L337 Q342 L343 R344 F350 T351 F352 E381L336-Q340 WeakPolarHBondContact O-CB 3.38Å; L336-Q340 PolarHBondContact O-N 3.02Å; L337-Q340 WeakPolarHBondContact O-CB 3.38Å; L337-Q340 PolarHBondContact O-N 3.35Å; Q340-Q342 VanDerWaalsContact C-N 3.34Å; Q340-Q342 PolarHBondContact O-N 3.05Å; Q340-L343 PolarHBondContact O-N 3.35Å; Q340-R344 WeakPolarHBondContact O-CG 3.41Å; Q340-R344 PolarHBondContact O-N 3.38Å; Q340-F350 HydrophobicContact CG-CD1 4.18Å; Q340-T351 VanDerWaalsContact OE1-CA 3.32Å; Q340-F352 HydrophobicContact CB-CD2 3.93Å; Q340-F352 HydrophobicContact CB-CE2 3.98Å; Q340-F352 HydrophobicContact CG-CD2 4.34Å; Q340-E381 PolarHBondContact NE2-O 2.82Å
341K97.7Very high98Very high109 Ų10949.8 Ų49.847%0.47424%0.242SC..Hα-helixtrans-61.2-42.3174.7-65.8171.2-170.9166.90111.7L337 E338 T339 R344L337-K341 WeakPolarHBondContact O-CG 3.05Å; L337-K341 PolarHBondContact O-N 2.7Å; L337-K341 VanDerWaalsContact O-N 3.11Å; E338-K341 WeakPolarHBondContact O-CB 3.35Å; E338-K341 PolarHBondContact O-N 3.09Å; E338-K341 IonicContact OE1-NZ 2.69Å; E338-K341 PolarHBondContact OE1-NZ 3.26Å; T339-K341 VanDerWaalsContact C-N 3.32Å; T339-K341 PolarHBondContact O-N 2.92Å; K341-R344 WeakPolarHBondContact O-CB 3.32Å; K341-R344 PolarHBondContact O-N 2.87Å
342Q98.1Very high98.1Very high86 Ų8642.4 Ų42.440%0.40221%0.21SC..Hα-helixtrans-62.3-45.6176-174.4-176.78.100111.8E338 T339 Q340 R344 S345 Y346E338-Q342 PolarHBondContact O-N 2.89Å; T339-Q342 WeakPolarHBondContact O-CB 3.07Å; T339-Q342 PolarHBondContact O-N 2.9Å; T339-Q342 VanDerWaalsContact O-N 3.17Å; Q340-Q342 VanDerWaalsContact C-N 3.34Å; Q340-Q342 PolarHBondContact O-N 3.05Å; Q342-R344 VanDerWaalsContact C-N 3.26Å; Q342-R344 PolarHBondContact O-N 3.25Å; Q342-S345 WeakPolarHBondContact O-CB 3.46Å; Q342-S345 PolarHBondContact O-N 3.32Å; Q342-S345 PolarHBondContact O-OG 2.95Å; Q342-Y346 HydrophobicContact CG-CE2 4.23Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.32Å
343L98.4Very high98.1Very high0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-63.6-31.1179.6-76.1172.1000112.2T339 Q340 S345 Y346 I347 F350 F352 F541 V542 A545T339-L343 HydrophobicContact CG2-CD1 3.99Å; T339-L343 HydrophobicContact CG2-CG 4.2Å; T339-L343 WeakPolarHBondContact O-CB 3.32Å; T339-L343 WeakPolarHBondContact O-CG 3.4Å; T339-L343 PolarHBondContact O-N 2.82Å; Q340-L343 PolarHBondContact O-N 3.35Å; L343-S345 PolarHBondContact O-N 3.5Å; L343-S345 VanDerWaalsContact O-N 3.11Å; L343-Y346 PolarHBondContact O-N 3.36Å; L343-I347 PolarHBondContact O-N 2.69Å; L343-F350 HydrophobicContact CB-CB 4.36Å; L343-F350 HydrophobicContact CB-CD1 3.52Å; L343-F350 HydrophobicContact CB-CD2 4.45Å; L343-F350 HydrophobicContact CB-CE1 3.9Å; L343-F350 HydrophobicContact CB-CG 3.84Å; L343-F350 HydrophobicContact CD1-CD1 3.93Å; L343-F350 HydrophobicContact CD1-CE1 3.36Å; L343-F350 HydrophobicContact CD1-CE2 4.25Å; L343-F350 HydrophobicContact CD1-CZ 3.55Å; L343-F350 HydrophobicContact CG-CD1 4.38Å; L343-F350 HydrophobicContact CG-CE1 4.27Å; L343-F352 HydrophobicContact CD1-CE2 4.37Å; L343-F352 HydrophobicContact CD1-CZ 3.88Å; L343-F541 HydrophobicContact CD1-CB 4.28Å; L343-F541 HydrophobicContact CD2-CB 4.46Å; L343-V542 HydrophobicContact CD2-CG2 4.01Å; L343-V542 HydrophobicContact CG-CG2 4.17Å; L343-A545 HydrophobicContact CD2-CB 4.11Å
344R97.9Very high98.1Very high96 Ų9642.2 Ų42.236%0.36221%0.209SC..THydrogen-bonded Turntrans-58.3-22.2171.9-71.4171.3-177.2166.81.3113.6Q340 K341 Q342 Y346 I347 F350Q340-R344 WeakPolarHBondContact O-CG 3.41Å; Q340-R344 PolarHBondContact O-N 3.38Å; K341-R344 WeakPolarHBondContact O-CB 3.32Å; K341-R344 PolarHBondContact O-N 2.87Å; Q342-R344 VanDerWaalsContact C-N 3.26Å; Q342-R344 PolarHBondContact O-N 3.25Å; R344-Y346 VanDerWaalsContact C-N 3.33Å; R344-I347 WeakPolarHBondContact CA-O 3.36Å; R344-F350 HydrophobicContact CG-CB 3.99Å; R344-F350 WeakPolarHBondContact CG-O 3.45Å; R344-F350 PolarHBondContact NE-O 2.94Å
345S96.9Very high98.1Very high71 Ų7136.5 Ų36.550%0.49719%0.185SC..THydrogen-bonded Turntrans-78-14.8173.878.30000114.3Q342 L343 R549Q342-S345 WeakPolarHBondContact O-CB 3.46Å; Q342-S345 PolarHBondContact O-N 3.32Å; Q342-S345 PolarHBondContact O-OG 2.95Å; L343-S345 PolarHBondContact O-N 3.5Å; L343-S345 VanDerWaalsContact O-N 3.11Å; S345-R549 PolarHBondContact O-NH1 3.44Å
346Y97.1Very high98.1Very high63 Ų6335.8 Ų35.825%0.24718%0.178CC..THydrogen-bonded Turntrans-111-33.8178.1-60.4-80.5000112.6Q342 L343 R344 A545 R549Q342-Y346 HydrophobicContact CG-CE2 4.23Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.32Å; L343-Y346 PolarHBondContact O-N 3.36Å; R344-Y346 VanDerWaalsContact C-N 3.33Å; Y346-A545 HydrophobicContact CG-CB 4.11Å; Y346-R549 HydrophobicContact CD1-CB 4.3Å
347I98.4Very high98.1Very high6 Ų635.8 Ų35.83%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-127.1114.4-174.3-51.9174.8000107.8L343 R344 N349 F350 A545 L556 T558L343-I347 PolarHBondContact O-N 2.69Å; R344-I347 WeakPolarHBondContact CA-O 3.36Å; I347-N349 PolarHBondContact O-N 3.5Å; I347-F350 HydrophobicContact CB-CB 4.07Å; I347-F350 HydrophobicContact CB-CD2 4.15Å; I347-F350 HydrophobicContact CB-CG 4.47Å; I347-F350 HydrophobicContact CD1-CD2 3.86Å; I347-F350 HydrophobicContact CD1-CE2 4.19Å; I347-F350 HydrophobicContact CG2-CB 4.23Å; I347-F350 HydrophobicContact CG2-CD2 4.03Å; I347-F350 WeakPolarHBondContact O-CB 3.42Å; I347-F350 PolarHBondContact O-N 3.35Å; I347-A545 HydrophobicContact CD1-CB 4.19Å; I347-A545 HydrophobicContact CG1-CB 4.29Å; I347-L556 WeakPolarHBondContact CA-O 3.5Å; I347-L556 HydrophobicContact CB-CB 4.15Å; I347-L556 HydrophobicContact CD1-CD1 4.47Å; I347-L556 HydrophobicContact CG1-CB 3.81Å; I347-L556 HydrophobicContact CG1-CD1 3.88Å; I347-L556 HydrophobicContact CG2-CB 4.03Å; I347-T558 WeakPolarHBondContact CG2-OG1 3.44Å
348S98.2Very high98.1Very high42 Ų4235.3 Ų35.329%0.29418%0.177SC..EExtended strand (participates in β ladder)trans-65.3136.5-175.870.50000111.1F350 L556 H557 T558S348-F350 PolarHBondContact O-N 2.8Å; S348-L556 PolarHBondContact N-O 2.76Å; S348-H557 PolarHBondContact OG-ND1 3.01Å; S348-T558 PolarHBondContact O-N 3.18Å
349N97Very high98.1Very high119 Ų11935 Ų3564%0.63617%0.174SC*.THydrogen-bonded Turntrans60.226.4179.4-53-27.3000114.2I347 T351I347-N349 PolarHBondContact O-N 3.5Å; N349-T351 PolarHBondContact O-N 3.29Å
350F98.6Very high98.1Very high1 Ų136.9 Ų36.90%0.00418%0.181CC..  trans-60127.7179.2-173.2-92.1000112.1V314 Q340 L343 R344 I347 S348 F352 T558V314-F350 HydrophobicContact CB-CZ 4.31Å; V314-F350 HydrophobicContact CG2-CE2 3.99Å; V314-F350 HydrophobicContact CG2-CZ 4.09Å; Q340-F350 HydrophobicContact CG-CD1 4.18Å; L343-F350 HydrophobicContact CB-CB 4.36Å; L343-F350 HydrophobicContact CB-CD1 3.52Å; L343-F350 HydrophobicContact CB-CD2 4.45Å; L343-F350 HydrophobicContact CB-CE1 3.9Å; L343-F350 HydrophobicContact CB-CG 3.84Å; L343-F350 HydrophobicContact CD1-CD1 3.93Å; L343-F350 HydrophobicContact CD1-CE1 3.36Å; L343-F350 HydrophobicContact CD1-CE2 4.25Å; L343-F350 HydrophobicContact CD1-CZ 3.55Å; L343-F350 HydrophobicContact CG-CD1 4.38Å; L343-F350 HydrophobicContact CG-CE1 4.27Å; R344-F350 HydrophobicContact CG-CB 3.99Å; R344-F350 WeakPolarHBondContact CG-O 3.45Å; R344-F350 PolarHBondContact NE-O 2.94Å; I347-F350 HydrophobicContact CB-CB 4.07Å; I347-F350 HydrophobicContact CB-CD2 4.15Å; I347-F350 HydrophobicContact CB-CG 4.47Å; I347-F350 HydrophobicContact CD1-CD2 3.86Å; I347-F350 HydrophobicContact CD1-CE2 4.19Å; I347-F350 HydrophobicContact CG2-CB 4.23Å; I347-F350 HydrophobicContact CG2-CD2 4.03Å; I347-F350 WeakPolarHBondContact O-CB 3.42Å; I347-F350 PolarHBondContact O-N 3.35Å; S348-F350 PolarHBondContact O-N 2.8Å; F350-F352 HydrophobicContact CE1-CD1 4.06Å; F350-F352 AromaticContact CE1-CD2 3.82Å; F350-F352 HydrophobicContact CE1-CD2 3.82Å; F350-F352 AromaticContact CE1-CE1 3.91Å; F350-F352 HydrophobicContact CE1-CE1 3.91Å; F350-F352 AromaticContact CE1-CE2 3.65Å; F350-F352 HydrophobicContact CE1-CE2 3.65Å; F350-F352 HydrophobicContact CE1-CG 4.02Å; F350-F352 AromaticContact CE1-CZ 3.7Å; F350-F352 HydrophobicContact CE1-CZ 3.7Å; F350-F352 AromaticContact CZ-CD1 3.9Å; F350-F352 HydrophobicContact CZ-CD1 3.9Å; F350-F352 HydrophobicContact CZ-CD2 4.47Å; F350-F352 AromaticContact CZ-CE1 3.68Å; F350-F352 HydrophobicContact CZ-CE1 3.68Å; F350-F352 HydrophobicContact CZ-CE2 4.28Å; F350-F352 HydrophobicContact CZ-CG 4.3Å; F350-F352 AromaticContact CZ-CZ 3.88Å; F350-F352 HydrophobicContact CZ-CZ 3.88Å; F350-T558 WeakPolarHBondContact CD2-OG1 3.49Å
351T98.3Very high98Very high16 Ų1639.2 Ų39.210%0.09819%0.19CC..  trans-144.8130175.3-63.50000108.3Q340 N349 W383Q340-T351 VanDerWaalsContact OE1-CA 3.32Å; N349-T351 PolarHBondContact O-N 3.29Å; T351-W383 HydrophobicContact CG2-CB 4.37Å; T351-W383 HydrophobicContact CG2-CD2 3.85Å; T351-W383 HydrophobicContact CG2-CE3 4.41Å; T351-W383 HydrophobicContact CG2-CG 3.82Å
352F98.6Very high98Very high0 Ų037.8 Ų37.80%018%0.184CC..  trans-70.2143.3171.3-72.6-72.4000110.1V314 I316 L336 Q340 L343 F350 L354 F382 W383 Y531 L538V314-F352 HydrophobicContact CB-CD1 4.02Å; V314-F352 HydrophobicContact CB-CE1 4.17Å; V314-F352 HydrophobicContact CG1-CD1 3.92Å; V314-F352 HydrophobicContact CG1-CE1 3.89Å; I316-F352 HydrophobicContact CD1-CB 4.09Å; I316-F352 HydrophobicContact CD1-CD1 3.77Å; I316-F352 HydrophobicContact CD1-CE1 4.38Å; I316-F352 HydrophobicContact CD1-CG 4.02Å; I316-F352 HydrophobicContact CG1-CD1 4.18Å; L336-F352 HydrophobicContact CD1-CD1 4.5Å; L336-F352 HydrophobicContact CD1-CD2 3.57Å; L336-F352 HydrophobicContact CD1-CE1 4.41Å; L336-F352 HydrophobicContact CD1-CE2 3.46Å; L336-F352 VanDerWaalsContact CD1-CE2 3.46Å; L336-F352 HydrophobicContact CD1-CG 4.11Å; L336-F352 HydrophobicContact CD1-CZ 3.91Å; L336-F352 HydrophobicContact CG-CD2 4.18Å; L336-F352 HydrophobicContact CG-CE2 4.34Å; Q340-F352 HydrophobicContact CB-CD2 3.93Å; Q340-F352 HydrophobicContact CB-CE2 3.98Å; Q340-F352 HydrophobicContact CG-CD2 4.34Å; L343-F352 HydrophobicContact CD1-CE2 4.37Å; L343-F352 HydrophobicContact CD1-CZ 3.88Å; F350-F352 HydrophobicContact CE1-CD1 4.06Å; F350-F352 AromaticContact CE1-CD2 3.82Å; F350-F352 HydrophobicContact CE1-CD2 3.82Å; F350-F352 AromaticContact CE1-CE1 3.91Å; F350-F352 HydrophobicContact CE1-CE1 3.91Å; F350-F352 AromaticContact CE1-CE2 3.65Å; F350-F352 HydrophobicContact CE1-CE2 3.65Å; F350-F352 HydrophobicContact CE1-CG 4.02Å; F350-F352 AromaticContact CE1-CZ 3.7Å; F350-F352 HydrophobicContact CE1-CZ 3.7Å; F350-F352 AromaticContact CZ-CD1 3.9Å; F350-F352 HydrophobicContact CZ-CD1 3.9Å; F350-F352 HydrophobicContact CZ-CD2 4.47Å; F350-F352 AromaticContact CZ-CE1 3.68Å; F350-F352 HydrophobicContact CZ-CE1 3.68Å; F350-F352 HydrophobicContact CZ-CE2 4.28Å; F350-F352 HydrophobicContact CZ-CG 4.3Å; F350-F352 AromaticContact CZ-CZ 3.88Å; F350-F352 HydrophobicContact CZ-CZ 3.88Å; F352-L354 HydrophobicContact CB-CD1 3.77Å; F352-F382 HydrophobicContact CB-CD1 4.07Å; F352-F382 HydrophobicContact CB-CE1 4.36Å; F352-F382 HydrophobicContact CD2-CE1 4.49Å; F352-W383 PolarHBondContact O-N 3.08Å; F352-Y531 AromaticContact CE1-CE1 3.94Å; F352-Y531 HydrophobicContact CE1-CE1 3.94Å; F352-Y531 HydrophobicContact CZ-CE1 4.18Å; F352-L538 HydrophobicContact CE2-CD2 4.44Å; F352-L538 HydrophobicContact CZ-CD2 4.12Å
353N98.4Very high97.9Very high1 Ų136.9 Ų36.91%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-114.5118.5-178.9-170.131000109L313 V314 D315 I316 W383 F385 Y425L313-N353 HydrophobicContact CD1-CB 4.07Å; V314-N353 PolarHBondContact O-N 3.2Å; V314-N353 VanDerWaalsContact O-N 3.15Å; D315-N353 CarbonylContact C-O 3.35Å; D315-N353 WeakPolarHBondContact CA-O 3.26Å; D315-N353 WeakPolarHBondContact OD1-CB 3.42Å; D315-N353 PolarHBondContact OD1-ND2 3.2Å; I316-N353 PolarHBondContact N-O 3.43Å; N353-W383 CarbonylContact C-O 3.56Å; N353-W383 WeakPolarHBondContact CA-O 3.29Å; N353-W383 HydrophobicContact CB-CB 4.17Å; N353-W383 WeakPolarHBondContact OD1-CB 3.45Å; N353-F385 HydrophobicContact CB-CD1 4.47Å; N353-F385 HydrophobicContact CB-CE1 4.32Å; N353-F385 VanDerWaalsContact CG-CD1 3.49Å; N353-F385 WeakPolarHBondContact ND2-CD1 3.43Å; N353-F385 WeakPolarHBondContact O-CE1 3.45Å; N353-F385 WeakPolarHBondContact OD1-CD1 3.36Å; N353-Y425 WeakPolarHBondContact ND2-CD1 3.41Å; N353-Y425 VanDerWaalsContact ND2-CE1 3.31Å; N353-Y425 WeakPolarHBondContact ND2-CE1 3.24Å
354L98.6Very high97.6Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-106.3117.8-164.4-88.262.2000110.7I316 I319 F352 L375 F382 W383 W384 F385I316-L354 HydrophobicContact CD1-CD1 4.1Å; I319-L354 HydrophobicContact CD1-CB 4.45Å; I319-L354 HydrophobicContact CD1-CD2 4.15Å; I319-L354 HydrophobicContact CD1-CG 3.9Å; I319-L354 HydrophobicContact CG1-CB 3.84Å; I319-L354 HydrophobicContact CG1-CD2 4.29Å; I319-L354 HydrophobicContact CG1-CG 3.86Å; F352-L354 HydrophobicContact CB-CD1 3.77Å; L354-L375 HydrophobicContact CD2-CD2 4.02Å; L354-F382 HydrophobicContact CD1-CB 4.09Å; L354-F382 HydrophobicContact CD1-CD1 3.8Å; L354-F382 HydrophobicContact CD1-CE1 4.47Å; L354-F382 HydrophobicContact CD1-CG 4.04Å; L354-F382 HydrophobicContact CD2-CB 4.18Å; L354-F382 HydrophobicContact CD2-CD1 4.34Å; L354-F382 HydrophobicContact CD2-CD2 4.08Å; L354-F382 HydrophobicContact CD2-CG 3.94Å; L354-W383 PolarHBondContact N-O 3.13Å; L354-W384 HydrophobicContact CB-CD2 4.06Å; L354-W384 HydrophobicContact CB-CE3 3.81Å; L354-W384 HydrophobicContact CB-CH2 4.49Å; L354-W384 HydrophobicContact CB-CZ3 4.05Å; L354-W384 HydrophobicContact CD2-CH2 3.83Å; L354-W384 HydrophobicContact CD2-CZ2 3.95Å; L354-W384 HydrophobicContact CD2-CZ3 4.18Å; L354-W384 CarbonylContact O-C 3.6Å; L354-W384 VanDerWaalsContact O-CA 3.32Å; L354-W384 WeakPolarHBondContact O-CA 3.49Å; L354-F385 PolarHBondContact O-N 3.22Å
355G98.4Very high97.5Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-93.5111179.100000111.5I316 D318 I319 F385I316-G355 PolarHBondContact O-N 3.01Å; D318-G355 PolarHBondContact N-O 3.43Å; I319-G355 WeakPolarHBondContact CB-O 3.46Å; I319-G355 PolarHBondContact N-O 2.68Å; G355-F385 VanDerWaalsContact CA-O 3.32Å; G355-F385 WeakPolarHBondContact CA-O 3.3Å; G355-F385 VanDerWaalsContact N-CE1 3.33Å
356F98.6Very high97.5Very high1 Ų136.3 Ų36.30%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-113.2148.6-17073.3-81.5000114.7I319 F320 W384 F385 H387 N410 F413 A414 I419 W449I319-F356 HydrophobicContact CB-CB 4.06Å; I319-F356 HydrophobicContact CG2-CB 4.27Å; F320-F356 HydrophobicContact CD2-CB 4.2Å; F320-F356 HydrophobicContact CE2-CB 4.21Å; F356-W384 HydrophobicContact CB-CE3 4.29Å; F356-W384 HydrophobicContact CB-CZ3 4.21Å; F356-W384 AromaticContact CD1-CE3 3.9Å; F356-W384 HydrophobicContact CD1-CE3 3.9Å; F356-W384 HydrophobicContact CG-CE3 4.32Å; F356-F385 WeakPolarHBondContact CD1-O 3.34Å; F356-F385 WeakPolarHBondContact CE1-O 3.43Å; F356-F385 PolarHBondContact N-O 2.91Å; F356-F385 VanDerWaalsContact N-O 3.08Å; F356-H387 WeakPolarHBondContact O-CA 3.29Å; F356-H387 WeakPolarHBondContact O-CB 3.43Å; F356-H387 PolarHBondContact O-N 3.43Å; F356-N410 VanDerWaalsContact CE2-ND2 3.32Å; F356-N410 WeakPolarHBondContact CE2-ND2 3.25Å; F356-N410 PolarHBondContact O-ND2 3.17Å; F356-F413 HydrophobicContact CD2-CD1 4.18Å; F356-F413 HydrophobicContact CD2-CE1 4.35Å; F356-F413 HydrophobicContact CE2-CD1 4.08Å; F356-A414 HydrophobicContact CE2-CB 4.07Å; F356-A414 HydrophobicContact CZ-CB 3.71Å; F356-I419 HydrophobicContact CD1-CG2 4.37Å; F356-I419 HydrophobicContact CD2-CD1 4.27Å; F356-I419 HydrophobicContact CE1-CG2 3.83Å; F356-I419 HydrophobicContact CE2-CD1 4.3Å; F356-I419 HydrophobicContact CG-CD1 4.44Å; F356-I419 HydrophobicContact CZ-CD1 4.49Å; F356-I419 HydrophobicContact CZ-CG2 4.16Å; F356-W449 AromaticContact CZ-CH2 3.94Å; F356-W449 HydrophobicContact CZ-CH2 3.94Å
357S98.4Very high97.5Very high0 Ų038.6 Ų38.60%021%0.205CC..  trans-126.996.6170.3-64.20000109.7I319 K359 F360 H387 M388 W389I319-S357 PolarHBondContact O-N 3.21Å; I319-S357 VanDerWaalsContact O-N 3.15Å; S357-K359 PolarHBondContact O-N 2.88Å; S357-F360 PolarHBondContact O-N 3.14Å; S357-H387 PolarHBondContact OG-O 3.31Å; S357-M388 WeakPolarHBondContact CA-O 3.1Å; S357-M388 WeakPolarHBondContact CB-O 3.45Å; S357-M388 PolarHBondContact OG-O 2.82Å; S357-W389 WeakPolarHBondContact CB-O 3.35Å
358G98Very high97.4Very high4 Ų438.7 Ų38.74%0.04121%0.206CC..G310 helixtrans-62-19.2-168.100000115.5F360 Y361 N410G358-F360 PolarHBondContact O-N 3.42Å; G358-F360 VanDerWaalsContact O-N 3.08Å; G358-Y361 WeakPolarHBondContact O-CB 3.46Å; G358-Y361 PolarHBondContact O-N 3.12Å; G358-N410 PolarHBondContact N-OD1 3.12Å
359K97.8Very high97.4Very high101 Ų10138.3 Ų38.344%0.43920%0.2SC..G310 helixtrans-57-28.8179.1-175.4178.1-177.4178.40113.4S357 W389 S390S357-K359 PolarHBondContact O-N 2.88Å; K359-W389 HydrophobicContact CB-CD2 3.72Å; K359-W389 HydrophobicContact CB-CE3 4.18Å; K359-W389 HydrophobicContact CB-CG 4.14Å; K359-W389 HydrophobicContact CB-CH2 4.31Å; K359-W389 HydrophobicContact CB-CZ2 3.86Å; K359-W389 HydrophobicContact CB-CZ3 4.45Å; K359-W389 WeakPolarHBondContact CB-O 3.45Å; K359-W389 HydrophobicContact CG-CZ2 4.2Å; K359-W389 VanDerWaalsContact N-CE3 3.26Å; K359-S390 VanDerWaalsContact CD-OG 3.24Å; K359-S390 WeakPolarHBondContact CD-OG 3.44Å; K359-S390 PolarHBondContact NZ-OG 3.18Å; K359-S390 VanDerWaalsContact NZ-OG 3.07Å
360F97.4Very high97.5Very high58 Ų5837.7 Ų37.725%0.25419%0.194SC..G310 helixtrans-104.313.3-171.9-55.8-84000112.7F320 V321 R327 S357 G358 T363 H391F320-F360 HydrophobicContact CB-CB 4.34Å; F320-F360 CarbonylContact O-C 3.5Å; F320-F360 WeakPolarHBondContact O-CB 3.44Å; V321-F360 HydrophobicContact CG2-CD2 3.78Å; V321-F360 HydrophobicContact CG2-CE2 4.21Å; V321-F360 HydrophobicContact CG2-CG 4.46Å; R327-F360 PolarHBondContact NH2-O 3.28Å; S357-F360 PolarHBondContact O-N 3.14Å; G358-F360 PolarHBondContact O-N 3.42Å; G358-F360 VanDerWaalsContact O-N 3.08Å; F360-T363 HydrophobicContact CB-CG2 4.49Å; F360-T363 PolarHBondContact O-OG1 2.86Å; F360-T363 VanDerWaalsContact O-OG1 3.09Å; F360-H391 HydrophobicContact CE2-CB 3.83Å; F360-H391 HydrophobicContact CZ-CB 4.47Å
361Y97.6Very high97.4Very high49 Ų4937.7 Ų37.719%0.19219%0.194CC..THydrogen-bonded Turntrans-63.8133.3168.8178-115.2000109.3F320 G358 D372 D373 L376 F413 H417F320-Y361 HydrophobicContact CD1-CD2 4.02Å; F320-Y361 AromaticContact CE1-CD2 3.82Å; F320-Y361 HydrophobicContact CE1-CD2 3.82Å; F320-Y361 HydrophobicContact CE1-CE2 4.38Å; F320-Y361 HydrophobicContact CG-CD2 4.48Å; F320-Y361 HydrophobicContact CZ-CD2 4.11Å; G358-Y361 WeakPolarHBondContact O-CB 3.46Å; G358-Y361 PolarHBondContact O-N 3.12Å; Y361-D372 HydrophobicContact CD2-CB 3.82Å; Y361-D372 HydrophobicContact CE2-CB 3.7Å; Y361-D373 PolarHBondContact OH-OD1 3.31Å; Y361-L376 HydrophobicContact CD2-CD1 4.11Å; Y361-L376 HydrophobicContact CE2-CD1 3.45Å; Y361-L376 VanDerWaalsContact CE2-CD1 3.45Å; Y361-L376 HydrophobicContact CE2-CG 4.42Å; Y361-F413 AromaticContact CD1-CE2 3.89Å; Y361-F413 HydrophobicContact CD1-CE2 3.89Å; Y361-F413 HydrophobicContact CD1-CZ 4.19Å; Y361-F413 HydrophobicContact CD2-CZ 4.26Å; Y361-F413 AromaticContact CG-CE2 3.89Å; Y361-F413 HydrophobicContact CG-CE2 3.89Å; Y361-F413 AromaticContact CG-CZ 3.81Å; Y361-F413 HydrophobicContact CG-CZ 3.81Å; Y361-H417 AromaticContact CE1-NE2 3.9Å
362H96.9Very high97.4Very high79 Ų7936.9 Ų36.937%0.36619%0.189SC..THydrogen-bonded Turntrans57.846.3-177.5-67.4-178.4000114.6D369 D372 D373H362-D369 VanDerWaalsContact CA-OD1 3.26Å; H362-D369 WeakPolarHBondContact CA-OD1 3.36Å; H362-D372 PolarHBondContact N-OD2 3.3Å; H362-D373 IonicContact CD2-OD1 2.61Å; H362-D373 IonicContact CE1-OD1 2.7Å; H362-D373 PolarHBondContact CE1-OD1 2.87Å; H362-D373 IonicContact CE1-OD2 2.63Å; H362-D373 IonicContact NE2-OD1 3.42Å; H362-D373 PolarHBondContact NE2-OD1 3.12Å; H362-D373 IonicContact NE2-OD2 3.08Å
363T95.2Very high97.4Very high67 Ų6740.2 Ų40.241%0.41121%0.207SC..  trans-116.317.1172.972.10000112.8R327 F360 D369R327-T363 PolarHBondContact NH1-OG1 2.58Å; F360-T363 HydrophobicContact CB-CG2 4.49Å; F360-T363 PolarHBondContact O-OG1 2.86Å; F360-T363 VanDerWaalsContact O-OG1 3.09Å; T363-D369 PolarHBondContact N-OD1 3.11Å
364G93.4Very high97.4Very high18 Ų1841.3 Ų41.319%0.18621%0.212CC..SBendtrans-103-160.5179.700000113.3E368 D369G364-E368 VanDerWaalsContact CA-OE2 3.27Å; G364-E368 WeakPolarHBondContact CA-OE2 3.21Å; G364-D369 WeakPolarHBondContact CA-OD1 3.34Å; G364-D369 PolarHBondContact N-OD1 3.06Å
365T95.8Very high97.4Very high35 Ų3541.3 Ų41.322%0.21521%0.212CC..  trans-73.8168.8163.278.50000111E324 E367 E368 D369E324-T365 HydrophobicContact CG-CG2 3.4Å; E324-T365 VanDerWaalsContact CG-CG2 3.4Å; E324-T365 WeakPolarHBondContact OE1-CG2 3.49Å; T365-E367 WeakPolarHBondContact CB-OE2 3.48Å; T365-E367 PolarHBondContact O-N 2.76Å; T365-E367 PolarHBondContact OG1-N 3.28Å; T365-E367 PolarHBondContact OG1-OE2 2.85Å; T365-E368 PolarHBondContact N-OE2 2.81Å; T365-E368 PolarHBondContact O-N 2.76Å; T365-E368 PolarHBondContact OG1-N 2.95Å; T365-D369 WeakPolarHBondContact O-CB 3.44Å; T365-D369 VanDerWaalsContact O-CG 3.31Å; T365-D369 PolarHBondContact O-N 2.8Å
366V96.9Very high97.4Very high102 Ų10242.2 Ų42.262%0.61822%0.217SC*.Hα-helixtrans-52.9-42.8174.6178.50000111.7D369 E370V366-D369 PolarHBondContact O-N 3.36Å; V366-E370 WeakPolarHBondContact O-CG 3.44Å; V366-E370 PolarHBondContact O-N 3.36Å
367E96.9Very high97.4Very high111 Ų11149.6 Ų49.652%0.51925%0.249SC..Hα-helixtrans-70.9-30.4179.3-58.179.3-174.200113.4N329 T365 G371N329-E367 WeakPolarHBondContact CA-O 3.41Å; N329-E367 HydrophobicContact CB-CB 4.36Å; N329-E367 VanDerWaalsContact CB-O 3.25Å; N329-E367 WeakPolarHBondContact CB-O 3.46Å; T365-E367 WeakPolarHBondContact CB-OE2 3.48Å; T365-E367 PolarHBondContact O-N 2.76Å; T365-E367 PolarHBondContact OG1-N 3.28Å; T365-E367 PolarHBondContact OG1-OE2 2.85Å; E367-G371 PolarHBondContact O-N 2.72Å
368E96.9Very high97.3Very high8 Ų853.7 Ų53.74%0.03727%0.265CS..Hα-helixtrans-74.5-41.3174.9-67.1179.3140.600110.8G325 T326 R327 G364 T365 E370 G371 D372G325-E368 VanDerWaalsContact CA-OE1 3.24Å; G325-E368 WeakPolarHBondContact CA-OE1 3.23Å; G325-E368 PolarHBondContact N-OE1 2.89Å; G325-E368 PolarHBondContact N-OE2 2.82Å; T326-E368 PolarHBondContact N-OE1 3.35Å; R327-E368 HydrophobicContact CB-CB 4.04Å; R327-E368 HydrophobicContact CB-CG 3.88Å; R327-E368 WeakPolarHBondContact CB-OE1 3.44Å; R327-E368 WeakPolarHBondContact CD-OE2 3.43Å; R327-E368 PolarHBondContact N-OE1 3.19Å; G364-E368 VanDerWaalsContact CA-OE2 3.27Å; G364-E368 WeakPolarHBondContact CA-OE2 3.21Å; T365-E368 PolarHBondContact N-OE2 2.81Å; T365-E368 PolarHBondContact O-N 2.76Å; T365-E368 PolarHBondContact OG1-N 2.95Å; E368-E370 VanDerWaalsContact C-N 3.34Å; E368-E370 PolarHBondContact O-N 3.05Å; E368-G371 CarbonylContact O-C 3.5Å; E368-G371 WeakPolarHBondContact O-CA 3.46Å; E368-G371 PolarHBondContact O-N 3.21Å; E368-D372 PolarHBondContact O-N 3.17Å
369D97.9Very high97.3Very high34 Ų3454 Ų5418%0.18227%0.267CS..Hα-helixtrans-66.1-36.6176.5-67.9-8.2000111.4H362 T363 G364 T365 V366 G371 D372 D373H362-D369 VanDerWaalsContact CA-OD1 3.26Å; H362-D369 WeakPolarHBondContact CA-OD1 3.36Å; T363-D369 PolarHBondContact N-OD1 3.11Å; G364-D369 WeakPolarHBondContact CA-OD1 3.34Å; G364-D369 PolarHBondContact N-OD1 3.06Å; T365-D369 WeakPolarHBondContact O-CB 3.44Å; T365-D369 VanDerWaalsContact O-CG 3.31Å; T365-D369 PolarHBondContact O-N 2.8Å; V366-D369 PolarHBondContact O-N 3.36Å; D369-G371 PolarHBondContact O-N 3.31Å; D369-D372 WeakPolarHBondContact O-CB 3.49Å; D369-D372 PolarHBondContact O-N 3.44Å; D369-D373 PolarHBondContact O-N 3.11Å
370E98.2Very high97.2Very high107 Ų10756.1 Ų56.150%0.528%0.283SS..Hα-helixtrans-60.4-30.9167.1-77.9-179.6-174.900112.3V366 E368 L374V366-E370 WeakPolarHBondContact O-CG 3.44Å; V366-E370 PolarHBondContact O-N 3.36Å; E368-E370 VanDerWaalsContact C-N 3.34Å; E368-E370 PolarHBondContact O-N 3.05Å; E370-L374 WeakPolarHBondContact O-CB 3.39Å; E370-L374 PolarHBondContact O-N 3.09Å; E370-L374 VanDerWaalsContact O-N 3.09Å
371G97.9Very high97.2Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-68.2-46.4172.200000112E367 E368 D369 D373 L374 L375E367-G371 PolarHBondContact O-N 2.72Å; E368-G371 CarbonylContact O-C 3.5Å; E368-G371 WeakPolarHBondContact O-CA 3.46Å; E368-G371 PolarHBondContact O-N 3.21Å; D369-G371 PolarHBondContact O-N 3.31Å; G371-D373 VanDerWaalsContact C-N 3.33Å; G371-D373 PolarHBondContact O-N 2.79Å; G371-L374 PolarHBondContact O-N 3.47Å; G371-L374 VanDerWaalsContact O-N 3.13Å; G371-L375 PolarHBondContact O-N 3.18Å
372D98Very high97.3Very high0 Ų055.1 Ų55.10%028%0.28CS..Hα-helixtrans-57.6-46.2175.3-71.2-9.6000111.3F320 R327 Y361 H362 E368 D369 L374 L375 L376F320-D372 HydrophobicContact CD1-CB 3.95Å; F320-D372 VanDerWaalsContact CD1-CG 3.45Å; F320-D372 WeakPolarHBondContact CD1-OD1 3.49Å; F320-D372 HydrophobicContact CE1-CB 3.76Å; R327-D372 IonicContact CZ-OD2 3.6Å; R327-D372 IonicContact NE-OD2 2.96Å; R327-D372 IonicContact NH2-OD1 3.97Å; R327-D372 PolarHBondContact NH2-OD1 3.32Å; R327-D372 IonicContact NH2-OD2 3.83Å; R327-D372 PolarHBondContact NH2-OD2 2.97Å; Y361-D372 HydrophobicContact CD2-CB 3.82Å; Y361-D372 HydrophobicContact CE2-CB 3.7Å; H362-D372 PolarHBondContact N-OD2 3.3Å; E368-D372 PolarHBondContact O-N 3.17Å; D369-D372 WeakPolarHBondContact O-CB 3.49Å; D369-D372 PolarHBondContact O-N 3.44Å; D372-L374 VanDerWaalsContact C-N 3.29Å; D372-L374 PolarHBondContact O-N 2.94Å; D372-L375 WeakPolarHBondContact O-CB 3.42Å; D372-L375 PolarHBondContact O-N 3.37Å; D372-L376 PolarHBondContact O-N 3.41Å
373D98.4Very high97.3Very high70 Ų7053.7 Ų53.737%0.37427%0.272SS..Hα-helixtrans-59.6-40.6174.8-74.5-15.1000112.2Y361 H362 D369 G371 L376 K377Y361-D373 PolarHBondContact OH-OD1 3.31Å; H362-D373 IonicContact CD2-OD1 2.61Å; H362-D373 IonicContact CE1-OD1 2.7Å; H362-D373 PolarHBondContact CE1-OD1 2.87Å; H362-D373 IonicContact CE1-OD2 2.63Å; H362-D373 IonicContact NE2-OD1 3.42Å; H362-D373 PolarHBondContact NE2-OD1 3.12Å; H362-D373 IonicContact NE2-OD2 3.08Å; D369-D373 PolarHBondContact O-N 3.11Å; G371-D373 VanDerWaalsContact C-N 3.33Å; G371-D373 PolarHBondContact O-N 2.79Å; D373-L376 PolarHBondContact O-N 3.49Å; D373-K377 WeakPolarHBondContact O-CB 3.23Å; D373-K377 PolarHBondContact O-N 3.41Å
374L98.3Very high97.5Very high23 Ų2350.5 Ų50.512%0.1225%0.252CS..Hα-helixtrans-69.7-34-179.4-163.461.7000112A330 V333 K334 E370 G371 D372 K377 Y378A330-L374 HydrophobicContact CB-CD2 3.96Å; A330-L374 WeakPolarHBondContact O-CD2 3.46Å; V333-L374 HydrophobicContact CB-CB 4.47Å; V333-L374 HydrophobicContact CB-CD2 4.14Å; V333-L374 HydrophobicContact CB-CG 4.44Å; V333-L374 HydrophobicContact CG1-CB 4.17Å; V333-L374 HydrophobicContact CG1-CD2 4.14Å; V333-L374 HydrophobicContact CG1-CG 3.99Å; K334-L374 HydrophobicContact CD-CD2 4.47Å; K334-L374 HydrophobicContact CG-CD2 3.96Å; E370-L374 WeakPolarHBondContact O-CB 3.39Å; E370-L374 PolarHBondContact O-N 3.09Å; E370-L374 VanDerWaalsContact O-N 3.09Å; G371-L374 PolarHBondContact O-N 3.47Å; G371-L374 VanDerWaalsContact O-N 3.13Å; D372-L374 VanDerWaalsContact C-N 3.29Å; D372-L374 PolarHBondContact O-N 2.94Å; L374-K377 HydrophobicContact CD1-CB 4.5Å; L374-K377 HydrophobicContact CD1-CD 4.05Å; L374-K377 PolarHBondContact O-N 3.32Å; L374-Y378 HydrophobicContact CD1-CD2 4.04Å; L374-Y378 HydrophobicContact CD1-CE2 3.54Å; L374-Y378 HydrophobicContact CG-CD2 4.08Å; L374-Y378 HydrophobicContact CG-CE2 3.91Å; L374-Y378 VanDerWaalsContact O-CD2 3.23Å; L374-Y378 WeakPolarHBondContact O-CD2 3.23Å; L374-Y378 PolarHBondContact O-N 2.88Å
375L98.3Very high97.7Very high0 Ų049.7 Ų49.70%024%0.244CC..Hα-helixtrans-60.9-48172.5-75.9167.3000111I319 F320 M328 V333 L336 L354 G371 D372 K377 Y378 V379 F382 W384I319-L375 HydrophobicContact CG2-CD1 4.19Å; F320-L375 HydrophobicContact CE1-CD1 4.38Å; M328-L375 HydrophobicContact CE-CD1 3.79Å; M328-L375 HydrophobicContact CE-CD2 4.33Å; V333-L375 HydrophobicContact CB-CD2 4.49Å; V333-L375 HydrophobicContact CG1-CD2 3.81Å; V333-L375 HydrophobicContact CG1-CG 4.05Å; V333-L375 HydrophobicContact CG2-CD1 4.33Å; V333-L375 HydrophobicContact CG2-CD2 3.97Å; V333-L375 HydrophobicContact CG2-CG 3.71Å; L336-L375 HydrophobicContact CD2-CD2 4.39Å; L354-L375 HydrophobicContact CD2-CD2 4.02Å; G371-L375 PolarHBondContact O-N 3.18Å; D372-L375 WeakPolarHBondContact O-CB 3.42Å; D372-L375 PolarHBondContact O-N 3.37Å; L375-K377 VanDerWaalsContact C-N 3.32Å; L375-K377 PolarHBondContact O-N 2.74Å; L375-Y378 CarbonylContact O-C 3.44Å; L375-Y378 PolarHBondContact O-N 2.88Å; L375-Y378 VanDerWaalsContact O-N 3.13Å; L375-V379 PolarHBondContact O-N 3.09Å; L375-F382 HydrophobicContact CD2-CE2 4.27Å; L375-W384 HydrophobicContact CB-CH2 4.46Å
376L98.1Very high97.8Very high20 Ų2048.5 Ų48.511%0.10524%0.237CC..Hα-helixtrans-68.1-32.1179.3-64.7-178.3000112.4F320 Y361 D372 D373 Y378 V379 W384 H417 I419F320-L376 HydrophobicContact CE2-CD2 4.42Å; F320-L376 HydrophobicContact CZ-CD1 4.3Å; F320-L376 HydrophobicContact CZ-CD2 3.82Å; F320-L376 HydrophobicContact CZ-CG 3.99Å; Y361-L376 HydrophobicContact CD2-CD1 4.11Å; Y361-L376 HydrophobicContact CE2-CD1 3.45Å; Y361-L376 VanDerWaalsContact CE2-CD1 3.45Å; Y361-L376 HydrophobicContact CE2-CG 4.42Å; D372-L376 PolarHBondContact O-N 3.41Å; D373-L376 PolarHBondContact O-N 3.49Å; L376-Y378 PolarHBondContact O-N 3.13Å; L376-V379 WeakPolarHBondContact O-CB 3.24Å; L376-V379 PolarHBondContact O-N 2.98Å; L376-W384 HydrophobicContact CD2-CH2 4.31Å; L376-H417 HydrophobicContact CD1-CB 4.06Å; L376-H417 VanDerWaalsContact CD1-CD2 3.49Å; L376-H417 WeakPolarHBondContact CD1-CD2 3.48Å; L376-H417 HydrophobicContact CD2-CB 4.18Å; L376-I419 HydrophobicContact CD2-CD1 3.78Å; L376-I419 HydrophobicContact CD2-CG1 4.01Å
377K98.1Very high97.9Very high155 Ų15543.8 Ų43.867%0.67421%0.208SC*.Hα-helixtrans-61-30.3171.7-176.1175.9179.7176.70113D373 L374 L375D373-K377 WeakPolarHBondContact O-CB 3.23Å; D373-K377 PolarHBondContact O-N 3.41Å; L374-K377 HydrophobicContact CD1-CB 4.5Å; L374-K377 HydrophobicContact CD1-CD 4.05Å; L374-K377 PolarHBondContact O-N 3.32Å; L375-K377 VanDerWaalsContact C-N 3.32Å; L375-K377 PolarHBondContact O-N 2.74Å
378Y97.8Very high97.9Very high87 Ų8738.9 Ų38.934%0.34119%0.185SC..THydrogen-bonded Turntrans-108.333.1178.3-66.1-69.1000112.4L337 L374 L375 L376 D380 E381 F382L337-Y378 HydrophobicContact CD1-CD1 4.26Å; L337-Y378 HydrophobicContact CD1-CD2 3.46Å; L337-Y378 VanDerWaalsContact CD1-CD2 3.46Å; L337-Y378 HydrophobicContact CD1-CE1 4.5Å; L337-Y378 HydrophobicContact CD1-CE2 3.72Å; L337-Y378 HydrophobicContact CD1-CG 3.75Å; L374-Y378 HydrophobicContact CD1-CD2 4.04Å; L374-Y378 HydrophobicContact CD1-CE2 3.54Å; L374-Y378 HydrophobicContact CG-CD2 4.08Å; L374-Y378 HydrophobicContact CG-CE2 3.91Å; L374-Y378 VanDerWaalsContact O-CD2 3.23Å; L374-Y378 WeakPolarHBondContact O-CD2 3.23Å; L374-Y378 PolarHBondContact O-N 2.88Å; L375-Y378 CarbonylContact O-C 3.44Å; L375-Y378 PolarHBondContact O-N 2.88Å; L375-Y378 VanDerWaalsContact O-N 3.13Å; L376-Y378 PolarHBondContact O-N 3.13Å; Y378-D380 PolarHBondContact O-N 2.77Å; Y378-E381 HydrophobicContact CD1-CG 4.27Å; Y378-E381 WeakPolarHBondContact O-CB 3.24Å; Y378-E381 PolarHBondContact O-N 3.27Å; Y378-F382 WeakPolarHBondContact O-CD2 3.5Å
379V97.3Very high97.9Very high11 Ų1141 Ų417%0.06719%0.193CC..G310 helixtrans-52.6-40.6-177.168.90000113.1L375 L376 E381 F382 W384 I419L375-V379 PolarHBondContact O-N 3.09Å; L376-V379 WeakPolarHBondContact O-CB 3.24Å; L376-V379 PolarHBondContact O-N 2.98Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 3.04Å; V379-F382 PolarHBondContact O-N 3.3Å; V379-W384 HydrophobicContact CG2-CZ2 4.18Å; V379-W384 PolarHBondContact O-NE1 2.74Å; V379-I419 HydrophobicContact CG2-CB 4.33Å; V379-I419 HydrophobicContact CG2-CG1 3.92Å
380D96.8Very high97.8Very high145 Ų14540 Ų4078%0.77519%0.188SC*.G310 helixtrans-73.5-12.2-178.1-64.1-43000114.2Y378 F382Y378-D380 PolarHBondContact O-N 2.77Å; D380-F382 VanDerWaalsContact C-N 3.32Å
381E97.4Very high97.7Very high79 Ų7936.7 Ų36.737%0.36917%0.172SC..G310 helixtrans-83.9-11178.1-68.4-68.3161.300112.7L337 Q340 Y378 V379L337-E381 HydrophobicContact CD2-CB 3.77Å; L337-E381 HydrophobicContact CD2-CG 4.16Å; Q340-E381 PolarHBondContact NE2-O 2.82Å; Y378-E381 HydrophobicContact CD1-CG 4.27Å; Y378-E381 WeakPolarHBondContact O-CB 3.24Å; Y378-E381 PolarHBondContact O-N 3.27Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 3.04Å
382F98Very high97.6Very high6 Ų640.4 Ų40.43%0.02619%0.191CC..SBendtrans-122.7160.2-176.1-61-68.9000112L336 L337 F352 L354 L375 Y378 V379 D380L336-F382 HydrophobicContact CD2-CE1 3.86Å; L336-F382 HydrophobicContact CD2-CZ 3.78Å; L336-F382 HydrophobicContact CG-CE1 3.98Å; L336-F382 HydrophobicContact CG-CZ 4.07Å; L337-F382 HydrophobicContact CD2-CE1 4.19Å; L337-F382 HydrophobicContact CD2-CE2 3.77Å; L337-F382 HydrophobicContact CD2-CZ 3.43Å; L337-F382 VanDerWaalsContact CD2-CZ 3.43Å; L337-F382 HydrophobicContact CG-CE2 4.36Å; L337-F382 HydrophobicContact CG-CZ 3.88Å; F352-F382 HydrophobicContact CB-CD1 4.07Å; F352-F382 HydrophobicContact CB-CE1 4.36Å; F352-F382 HydrophobicContact CD2-CE1 4.49Å; L354-F382 HydrophobicContact CD1-CB 4.09Å; L354-F382 HydrophobicContact CD1-CD1 3.8Å; L354-F382 HydrophobicContact CD1-CE1 4.47Å; L354-F382 HydrophobicContact CD1-CG 4.04Å; L354-F382 HydrophobicContact CD2-CB 4.18Å; L354-F382 HydrophobicContact CD2-CD1 4.34Å; L354-F382 HydrophobicContact CD2-CD2 4.08Å; L354-F382 HydrophobicContact CD2-CG 3.94Å; L375-F382 HydrophobicContact CD2-CE2 4.27Å; Y378-F382 WeakPolarHBondContact O-CD2 3.5Å; V379-F382 PolarHBondContact O-N 3.3Å; D380-F382 VanDerWaalsContact C-N 3.32Å
383W98.4Very high97.5Very high49 Ų4942.7 Ų42.719%0.18620%0.201CC..EExtended strand (participates in β ladder)trans-91.1154.1160.6-67.1-19.5000109.7L313 T351 F352 N353 L354 M423 T558 P560L313-W383 HydrophobicContact CD1-CE3 4.15Å; L313-W383 HydrophobicContact CD1-CZ3 3.99Å; T351-W383 HydrophobicContact CG2-CB 4.37Å; T351-W383 HydrophobicContact CG2-CD2 3.85Å; T351-W383 HydrophobicContact CG2-CE3 4.41Å; T351-W383 HydrophobicContact CG2-CG 3.82Å; F352-W383 PolarHBondContact O-N 3.08Å; N353-W383 CarbonylContact C-O 3.56Å; N353-W383 WeakPolarHBondContact CA-O 3.29Å; N353-W383 HydrophobicContact CB-CB 4.17Å; N353-W383 WeakPolarHBondContact OD1-CB 3.45Å; L354-W383 PolarHBondContact N-O 3.13Å; W383-M423 HydrophobicContact CB-CE 3.86Å; W383-M423 HydrophobicContact CD2-CE 4.12Å; W383-M423 HydrophobicContact CG-CE 3.61Å; W383-T558 HydrophobicContact CH2-CG2 3.88Å; W383-T558 HydrophobicContact CZ3-CG2 3.71Å; W383-P560 HydrophobicContact CH2-CB 4.17Å; W383-P560 HydrophobicContact CH2-CG 3.81Å; W383-P560 VanDerWaalsContact CH2-N 3.31Å; W383-P560 HydrophobicContact CZ2-CB 4.27Å; W383-P560 HydrophobicContact CZ2-CG 3.74Å
384W98.5Very high97.4Very high1 Ų139.3 Ų39.30%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-133.4146.2-175.3-64.184.2000111I319 L354 F356 L375 L376 V379 I419I319-W384 HydrophobicContact CG2-CZ3 4.03Å; L354-W384 HydrophobicContact CB-CD2 4.06Å; L354-W384 HydrophobicContact CB-CE3 3.81Å; L354-W384 HydrophobicContact CB-CH2 4.49Å; L354-W384 HydrophobicContact CB-CZ3 4.05Å; L354-W384 HydrophobicContact CD2-CH2 3.83Å; L354-W384 HydrophobicContact CD2-CZ2 3.95Å; L354-W384 HydrophobicContact CD2-CZ3 4.18Å; L354-W384 CarbonylContact O-C 3.6Å; L354-W384 VanDerWaalsContact O-CA 3.32Å; L354-W384 WeakPolarHBondContact O-CA 3.49Å; F356-W384 HydrophobicContact CB-CE3 4.29Å; F356-W384 HydrophobicContact CB-CZ3 4.21Å; F356-W384 AromaticContact CD1-CE3 3.9Å; F356-W384 HydrophobicContact CD1-CE3 3.9Å; F356-W384 HydrophobicContact CG-CE3 4.32Å; L375-W384 HydrophobicContact CB-CH2 4.46Å; L376-W384 HydrophobicContact CD2-CH2 4.31Å; V379-W384 HydrophobicContact CG2-CZ2 4.18Å; V379-W384 PolarHBondContact O-NE1 2.74Å; W384-I419 HydrophobicContact CB-CG2 3.57Å; W384-I419 HydrophobicContact CD2-CG1 4.48Å; W384-I419 HydrophobicContact CD2-CG2 3.87Å; W384-I419 HydrophobicContact CE3-CD1 4.24Å; W384-I419 HydrophobicContact CE3-CG1 4.47Å; W384-I419 HydrophobicContact CE3-CG2 4.09Å; W384-I419 HydrophobicContact CG-CG2 3.65Å; W384-I419 HydrophobicContact CZ3-CD1 4.22Å
385F98.5Very high97.1Very high1 Ų138.8 Ų38.80%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-142.2148.5169.862.3-89.1000111.5D315 D317 N353 L354 G355 F356 Y425 V427D315-F385 HydrophobicContact CB-CE1 4.11Å; D315-F385 HydrophobicContact CB-CZ 4.14Å; D317-F385 VanDerWaalsContact OD1-CZ 3.24Å; D317-F385 WeakPolarHBondContact OD1-CZ 3.45Å; N353-F385 HydrophobicContact CB-CD1 4.47Å; N353-F385 HydrophobicContact CB-CE1 4.32Å; N353-F385 VanDerWaalsContact CG-CD1 3.49Å; N353-F385 WeakPolarHBondContact ND2-CD1 3.43Å; N353-F385 WeakPolarHBondContact O-CE1 3.45Å; N353-F385 WeakPolarHBondContact OD1-CD1 3.36Å; L354-F385 PolarHBondContact O-N 3.22Å; G355-F385 VanDerWaalsContact CA-O 3.32Å; G355-F385 WeakPolarHBondContact CA-O 3.3Å; G355-F385 VanDerWaalsContact N-CE1 3.33Å; F356-F385 WeakPolarHBondContact CD1-O 3.34Å; F356-F385 WeakPolarHBondContact CE1-O 3.43Å; F356-F385 PolarHBondContact N-O 2.91Å; F356-F385 VanDerWaalsContact N-O 3.08Å; F385-Y425 HydrophobicContact CB-CD1 3.77Å; F385-Y425 HydrophobicContact CB-CE1 4.45Å; F385-Y425 VanDerWaalsContact CB-O 3.31Å; F385-Y425 WeakPolarHBondContact CB-O 3.46Å; F385-Y425 AromaticContact CD1-CD1 3.92Å; F385-Y425 HydrophobicContact CD1-CD1 3.92Å; F385-Y425 AromaticContact CD1-CE1 3.93Å; F385-Y425 HydrophobicContact CD1-CE1 3.93Å; F385-Y425 HydrophobicContact CD2-CE1 4.49Å; F385-Y425 HydrophobicContact CE1-CE1 4.22Å; F385-Y425 AromaticContact CG-CD1 3.85Å; F385-Y425 HydrophobicContact CG-CD1 3.85Å; F385-Y425 HydrophobicContact CG-CE1 4.05Å; F385-V427 HydrophobicContact CD2-CB 4.14Å; F385-V427 HydrophobicContact CD2-CG2 4.01Å; F385-V427 HydrophobicContact CE2-CB 3.74Å; F385-V427 HydrophobicContact CE2-CG2 3.67Å; F385-V427 HydrophobicContact CZ-CG2 4.2Å
386P98.3Very high96.9Very high10 Ų1042.1 Ų42.17%0.06520%0.198CC..EExtended strand (participates in β ladder)trans-71.6138.6177.130.9-36000111.1Y425 A426 W449 I451P386-Y425 WeakPolarHBondContact CD-O 3.48Å; P386-A426 HydrophobicContact CG-CB 3.83Å; P386-W449 HydrophobicContact CB-CD2 3.97Å; P386-W449 HydrophobicContact CB-CE3 4.23Å; P386-W449 HydrophobicContact CB-CH2 3.82Å; P386-W449 HydrophobicContact CB-CZ2 3.53Å; P386-W449 HydrophobicContact CB-CZ3 4.16Å; P386-W449 HydrophobicContact CG-CD2 3.67Å; P386-W449 HydrophobicContact CG-CE3 3.88Å; P386-W449 HydrophobicContact CG-CG 4.06Å; P386-W449 HydrophobicContact CG-CH2 4.37Å; P386-W449 HydrophobicContact CG-CZ2 4.2Å; P386-W449 HydrophobicContact CG-CZ3 4.22Å; P386-I451 HydrophobicContact CG-CD1 4.49Å
387H97.6Very high96.6Very high2 Ų242 Ų421%0.00920%0.197CC..  trans-123.634.6176.1-153.949000112.7D317 D318 F356 S357 H391 V427 P429D317-H387 IonicContact OD2-CE1 3.53Å; D318-H387 IonicContact OD1-CD2 3.5Å; D318-H387 PolarHBondContact OD1-CD2 2.93Å; D318-H387 IonicContact OD1-NE2 3.59Å; D318-H387 PolarHBondContact OD1-NE2 3.4Å; F356-H387 WeakPolarHBondContact O-CA 3.29Å; F356-H387 WeakPolarHBondContact O-CB 3.43Å; F356-H387 PolarHBondContact O-N 3.43Å; S357-H387 PolarHBondContact OG-O 3.31Å; H387-H391 AromaticContact CD2-CD2 3.43Å; H387-H391 PolarHBondContact CD2-CD2 3.23Å; H387-H391 VanDerWaalsContact CD2-CD2 3.43Å; H387-H391 AromaticContact CD2-NE2 3.67Å; H387-H391 AromaticContact NE2-CD2 3.74Å; H387-H391 AromaticContact NE2-NE2 3.47Å; H387-H391 PolarHBondContact NE2-NE2 3.08Å; H387-V427 PolarHBondContact ND1-O 2.84Å; H387-P429 WeakPolarHBondContact O-CG 3.31Å
388M96.5Very high95.7Very high8 Ų840.1 Ų40.14%0.03919%0.19CC..  trans66.3147.7-173.5-57.1-65.9-6700114.1S357 F397 L403 Q406 M407 P429S357-M388 WeakPolarHBondContact CA-O 3.1Å; S357-M388 WeakPolarHBondContact CB-O 3.45Å; S357-M388 PolarHBondContact OG-O 2.82Å; M388-F397 HydrophobicContact CE-CE2 4.35Å; M388-L403 HydrophobicContact CE-CD1 3.41Å; M388-L403 VanDerWaalsContact CE-CD1 3.41Å; M388-L403 HydrophobicContact CE-CG 4.36Å; M388-Q406 HydrophobicContact CE-CB 4.01Å; M388-M407 HydrophobicContact CE-CE 4.27Å; M388-M407 HydrophobicContact CE-CG 4.17Å; M388-M407 HydrophobicContact SD-CE 3.67Å; M388-M407 HydrophobicContact SD-CG 3.88Å; M388-P429 HydrophobicContact CB-CG 4.02Å; M388-P429 VanDerWaalsContact CG-CD 3.45Å; M388-P429 HydrophobicContact CG-CG 3.85Å
389W97.6Very high94.8Very high54 Ų5439.9 Ų39.921%0.20519%0.194CC..THydrogen-bonded Turntrans-59.5-59-179.1174-117.4000113.3S357 K359 H391 Q406 L409 N410 F413S357-W389 WeakPolarHBondContact CB-O 3.35Å; K359-W389 HydrophobicContact CB-CD2 3.72Å; K359-W389 HydrophobicContact CB-CE3 4.18Å; K359-W389 HydrophobicContact CB-CG 4.14Å; K359-W389 HydrophobicContact CB-CH2 4.31Å; K359-W389 HydrophobicContact CB-CZ2 3.86Å; K359-W389 HydrophobicContact CB-CZ3 4.45Å; K359-W389 WeakPolarHBondContact CB-O 3.45Å; K359-W389 HydrophobicContact CG-CZ2 4.2Å; K359-W389 VanDerWaalsContact N-CE3 3.26Å; W389-H391 VanDerWaalsContact C-N 3.34Å; W389-H391 PolarHBondContact O-N 3.01Å; W389-Q406 HydrophobicContact CB-CB 4.41Å; W389-Q406 WeakPolarHBondContact CB-O 3.42Å; W389-L409 HydrophobicContact CB-CB 4.21Å; W389-L409 HydrophobicContact CD2-CB 3.81Å; W389-L409 HydrophobicContact CE3-CB 4.24Å; W389-L409 HydrophobicContact CG-CB 3.81Å; W389-L409 HydrophobicContact CG-CD1 4.27Å; W389-N410 HydrophobicContact CB-CB 3.97Å; W389-N410 HydrophobicContact CE3-CB 4.31Å; W389-F413 HydrophobicContact CZ3-CB 3.75Å; W389-F413 HydrophobicContact CZ3-CD2 4.14Å; W389-F413 HydrophobicContact CZ3-CG 4.06Å
390S96Very high94.3Very high13 Ų1341.1 Ų41.19%0.09120%0.199CC..THydrogen-bonded Turntrans-91.214.5-177.7-57.50000114.3K359 M392 Q406K359-S390 VanDerWaalsContact CD-OG 3.24Å; K359-S390 WeakPolarHBondContact CD-OG 3.44Å; K359-S390 PolarHBondContact NZ-OG 3.18Å; K359-S390 VanDerWaalsContact NZ-OG 3.07Å; S390-M392 PolarHBondContact O-N 3.11Å; S390-Q406 VanDerWaalsContact CB-OE1 3.28Å; S390-Q406 PolarHBondContact OG-OE1 2.85Å
391H96.2Very high94Very high36 Ų3637.7 Ų37.717%0.16719%0.187CC..  trans52.827.1-172.5-169-108.7000113.4D318 V321 F360 H387 W389D318-H391 IonicContact OD1-CD2 3.23Å; D318-H391 PolarHBondContact OD1-CD2 3.46Å; D318-H391 IonicContact OD1-CE1 3.76Å; D318-H391 IonicContact OD1-NE2 2.7Å; D318-H391 PolarHBondContact OD1-NE2 2.85Å; V321-H391 HydrophobicContact CG1-CB 4.46Å; V321-H391 HydrophobicContact CG2-CB 4.15Å; F360-H391 HydrophobicContact CE2-CB 3.83Å; F360-H391 HydrophobicContact CZ-CB 4.47Å; H387-H391 AromaticContact CD2-CD2 3.43Å; H387-H391 PolarHBondContact CD2-CD2 3.23Å; H387-H391 VanDerWaalsContact CD2-CD2 3.43Å; H387-H391 AromaticContact CD2-NE2 3.67Å; H387-H391 AromaticContact NE2-CD2 3.74Å; H387-H391 AromaticContact NE2-NE2 3.47Å; H387-H391 PolarHBondContact NE2-NE2 3.08Å; W389-H391 VanDerWaalsContact C-N 3.34Å; W389-H391 PolarHBondContact O-N 3.01Å
392M95.5Very high93.8Very high79 Ų7936.3 Ų36.339%0.38919%0.186SC..  trans-84.6139-178.7-76-174.669.500111.4S390 F397S390-M392 PolarHBondContact O-N 3.11Å; M392-F397 HydrophobicContact CB-CE2 3.69Å; M392-F397 HydrophobicContact CB-CZ 3.62Å; M392-F397 HydrophobicContact CE-CZ 4.22Å; M392-F397 HydrophobicContact CG-CZ 4.48Å; M392-F397 HydrophobicContact SD-CZ 4.15Å
393Q96.2Very high93.5Very high47 Ų4736 Ų3622%0.2219%0.185CC..  trans-69.6129-179.4-64.9165.324.200110.7H395 L396 P429 H430Q393-H395 VanDerWaalsContact C-N 3.28Å; Q393-H395 PolarHBondContact O-N 3.01Å; Q393-H395 VanDerWaalsContact O-N 3.15Å; Q393-H395 PolarHBondContact OE1-CE1 3.32Å; Q393-L396 HydrophobicContact CB-CD1 4.05Å; Q393-L396 HydrophobicContact CB-CG 4.18Å; Q393-L396 WeakPolarHBondContact O-CB 3.2Å; Q393-L396 PolarHBondContact O-N 2.94Å; Q393-L396 VanDerWaalsContact O-N 3.08Å; Q393-P429 HydrophobicContact CG-CB 4.41Å; Q393-H430 HydrophobicContact CG-CB 4.2Å; Q393-H430 PolarHBondContact NE2-CD2 3.07Å; Q393-H430 PolarHBondContact NE2-NE2 2.79Å
394P95.3Very high93.4Very high0 Ų035.5 Ų35.50%019%0.185CC..G310 helixtrans-55-34.1-175.5-3437.9000115.9L396 F397 L403 A428 S432 L441P394-L396 PolarHBondContact O-N 3.33Å; P394-F397 WeakPolarHBondContact O-CD2 3.34Å; P394-F397 PolarHBondContact O-N 3.43Å; P394-F397 VanDerWaalsContact O-N 3.16Å; P394-L403 HydrophobicContact CB-CD1 4.31Å; P394-A428 HydrophobicContact CG-CB 3.78Å; P394-S432 WeakPolarHBondContact CD-OG 3.46Å; P394-S432 WeakPolarHBondContact CG-O 3.42Å; P394-L441 HydrophobicContact CB-CB 4.29Å; P394-L441 HydrophobicContact CB-CD1 3.95Å; P394-L441 HydrophobicContact CB-CD2 4.08Å; P394-L441 HydrophobicContact CB-CG 4.33Å; P394-L441 HydrophobicContact CG-CD1 3.65Å; P394-L441 HydrophobicContact CG-CD2 3.94Å; P394-L441 HydrophobicContact CG-CG 4.32Å
395H94Very high93.2Very high11 Ų1141 Ų415%0.05121%0.211CC..G310 helixtrans-70.8-10.5-178.273.4-92.5000114.2Q393 F397 S432 I592 W593Q393-H395 VanDerWaalsContact C-N 3.28Å; Q393-H395 PolarHBondContact O-N 3.01Å; Q393-H395 VanDerWaalsContact O-N 3.15Å; Q393-H395 PolarHBondContact OE1-CE1 3.32Å; H395-F397 VanDerWaalsContact C-N 3.32Å; H395-S432 PolarHBondContact N-OG 3.42Å; H395-S432 VanDerWaalsContact N-OG 3.11Å; H395-S432 VanDerWaalsContact ND1-CB 3.3Å; H395-S432 WeakPolarHBondContact ND1-CB 3.41Å; H395-S432 PolarHBondContact ND1-OG 3.13Å; H395-I592 WeakPolarHBondContact CB-O 3.42Å; H395-I592 PolarHBondContact ND1-O 3.39Å; H395-W593 PolarHBondContact CD2-O 3.23Å
396L93.8Very high93.1Very high70 Ų7042.3 Ų42.337%0.36622%0.217SC..G310 helixtrans-84.4-9.3175.4-60.2177.9000112.5Q393 P394Q393-L396 HydrophobicContact CB-CD1 4.05Å; Q393-L396 HydrophobicContact CB-CG 4.18Å; Q393-L396 WeakPolarHBondContact O-CB 3.2Å; Q393-L396 PolarHBondContact O-N 2.94Å; Q393-L396 VanDerWaalsContact O-N 3.08Å; P394-L396 PolarHBondContact O-N 3.33Å
397F90.3Very high93Very high18 Ų1841.9 Ų41.98%0.07922%0.215CC..  trans-86.5129.1174.3-64-91.6000109.5M388 M392 P394 H395 L403 Q406M388-F397 HydrophobicContact CE-CE2 4.35Å; M392-F397 HydrophobicContact CB-CE2 3.69Å; M392-F397 HydrophobicContact CB-CZ 3.62Å; M392-F397 HydrophobicContact CE-CZ 4.22Å; M392-F397 HydrophobicContact CG-CZ 4.48Å; M392-F397 HydrophobicContact SD-CZ 4.15Å; P394-F397 WeakPolarHBondContact O-CD2 3.34Å; P394-F397 PolarHBondContact O-N 3.43Å; P394-F397 VanDerWaalsContact O-N 3.16Å; H395-F397 VanDerWaalsContact C-N 3.32Å; F397-L403 HydrophobicContact CB-CB 4.37Å; F397-L403 HydrophobicContact CB-CD1 4.41Å; F397-L403 HydrophobicContact CD2-CD1 3.58Å; F397-L403 HydrophobicContact CE2-CD1 3.88Å; F397-L403 HydrophobicContact CG-CB 4.32Å; F397-L403 HydrophobicContact CG-CD1 3.92Å; F397-L403 HydrophobicContact CZ-CD1 4.47Å; F397-Q406 HydrophobicContact CE1-CG 3.77Å; F397-Q406 HydrophobicContact CZ-CG 3.88Å
398H79.4Confident93Very high116 Ų11644.7 Ų44.754%0.53723%0.231SC..SBendtrans-92.3-18.5178.8-62.6-68.5000112.3E596H398-E596 WeakPolarHBondContact CB-OE1 3.22Å; H398-E596 IonicContact CE1-OE1 3.4Å; H398-E596 IonicContact CG-OE1 3.28Å; H398-E596 IonicContact ND1-OE1 3.91Å; H398-E596 PolarHBondContact ND1-OE1 3Å
399N79.4Confident93.1Very high81 Ų8146.9 Ų46.943%0.43324%0.243SC..  trans-130.4133.6-176.9-175.35.7000110.7S401 S402 L403N399-S401 PolarHBondContact O-N 3.47Å; N399-S401 PolarHBondContact OD1-N 3.03Å; N399-S401 VanDerWaalsContact OD1-N 3.12Å; N399-S401 PolarHBondContact OD1-OG 3.49Å; N399-S402 PolarHBondContact O-N 3.34Å; N399-L403 PolarHBondContact O-N 3.01Å
400E86Confident93.1Very high37 Ų3744.3 Ų44.317%0.17323%0.234CC..Hα-helixtrans-55.6-37.9174.2-162.8-161.1160.200111.3S402 L403 L404 Q440 R447E400-S402 VanDerWaalsContact C-N 3.34Å; E400-S402 PolarHBondContact O-N 2.94Å; E400-L403 WeakPolarHBondContact O-CB 3.49Å; E400-L403 PolarHBondContact O-N 3.48Å; E400-L404 HydrophobicContact CG-CD1 4.2Å; E400-L404 HydrophobicContact CG-CG 4.36Å; E400-L404 WeakPolarHBondContact O-CG 3.42Å; E400-L404 PolarHBondContact O-N 3.24Å; E400-Q440 HydrophobicContact CB-CB 4.45Å; E400-Q440 HydrophobicContact CB-CG 4.21Å; E400-Q440 HydrophobicContact CG-CB 4.23Å; E400-Q440 HydrophobicContact CG-CG 4.38Å; E400-R447 VanDerWaalsContact CD-NH1 3.31Å; E400-R447 IonicContact OE1-CZ 3.85Å; E400-R447 IonicContact OE1-NE 2.74Å; E400-R447 IonicContact OE1-NH1 3.51Å; E400-R447 PolarHBondContact OE1-NH1 3.28Å; E400-R447 IonicContact OE2-NH1 3.35Å; E400-R447 PolarHBondContact OE2-NH1 2.81Å
401S91.8Very high93.3Very high73 Ų7346.8 Ų46.851%0.5124%0.243SC..Hα-helixtrans-57.8-43.2-179.7-55.20000113.1N399 L404 E405N399-S401 PolarHBondContact O-N 3.47Å; N399-S401 PolarHBondContact OD1-N 3.03Å; N399-S401 VanDerWaalsContact OD1-N 3.12Å; N399-S401 PolarHBondContact OD1-OG 3.49Å; S401-L404 PolarHBondContact O-N 3.06Å; S401-E405 PolarHBondContact O-N 2.68Å
402S91.6Very high93.4Very high51 Ų5149.6 Ų49.636%0.35726%0.256SS..Hα-helixtrans-70-35.5179.8-57.70000111.7N399 E400 Q406N399-S402 PolarHBondContact O-N 3.34Å; E400-S402 VanDerWaalsContact C-N 3.34Å; E400-S402 PolarHBondContact O-N 2.94Å; S402-Q406 WeakPolarHBondContact O-CG 3.39Å; S402-Q406 PolarHBondContact O-N 3.48Å; S402-Q406 VanDerWaalsContact O-N 3.15Å
403L92.8Very high93.5Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-65.8-42.5174.8-170.871.9000111.1M388 P394 F397 N399 E400 Q406 M407 Q440 L441 A444M388-L403 HydrophobicContact CE-CD1 3.41Å; M388-L403 VanDerWaalsContact CE-CD1 3.41Å; M388-L403 HydrophobicContact CE-CG 4.36Å; P394-L403 HydrophobicContact CB-CD1 4.31Å; F397-L403 HydrophobicContact CB-CB 4.37Å; F397-L403 HydrophobicContact CB-CD1 4.41Å; F397-L403 HydrophobicContact CD2-CD1 3.58Å; F397-L403 HydrophobicContact CE2-CD1 3.88Å; F397-L403 HydrophobicContact CG-CB 4.32Å; F397-L403 HydrophobicContact CG-CD1 3.92Å; F397-L403 HydrophobicContact CZ-CD1 4.47Å; N399-L403 PolarHBondContact O-N 3.01Å; E400-L403 WeakPolarHBondContact O-CB 3.49Å; E400-L403 PolarHBondContact O-N 3.48Å; L403-Q406 PolarHBondContact O-N 2.67Å; L403-M407 HydrophobicContact CD1-CE 4.36Å; L403-M407 HydrophobicContact CD2-CE 4.25Å; L403-M407 HydrophobicContact CG-CE 4.03Å; L403-M407 WeakPolarHBondContact O-CG 3.41Å; L403-M407 PolarHBondContact O-N 3.44Å; L403-M407 VanDerWaalsContact O-N 3.12Å; L403-Q440 HydrophobicContact CD2-CB 4.32Å; L403-L441 HydrophobicContact CD2-CB 4.4Å; L403-L441 HydrophobicContact CD2-CD1 4.46Å; L403-A444 HydrophobicContact CD2-CB 3.88Å; L403-A444 HydrophobicContact CG-CB 4.21Å
404L95.6Very high93.6Very high37 Ų3744.1 Ų44.119%0.19423%0.229CC..Hα-helixtrans-60.3-47.6175-73169.4000111.6E400 S401 Q406 M407 V408 A444 R447 V448E400-L404 HydrophobicContact CG-CD1 4.2Å; E400-L404 HydrophobicContact CG-CG 4.36Å; E400-L404 WeakPolarHBondContact O-CG 3.42Å; E400-L404 PolarHBondContact O-N 3.24Å; S401-L404 PolarHBondContact O-N 3.06Å; L404-Q406 PolarHBondContact O-N 2.75Å; L404-M407 PolarHBondContact O-N 3.06Å; L404-V408 WeakPolarHBondContact O-CG2 3.49Å; L404-V408 PolarHBondContact O-N 2.94Å; L404-A444 HydrophobicContact CD2-CB 3.68Å; L404-A444 HydrophobicContact CG-CB 4.22Å; L404-R447 HydrophobicContact CD2-CB 4.24Å; L404-V448 HydrophobicContact CD2-CG2 3.58Å
405E95.1Very high93.8Very high118 Ų11849 Ų4955%0.55125%0.254SS*.Hα-helixtrans-57.6-46.7178.4-174.8-178.4-172.700111.8S401 M407 V408 L409S401-E405 PolarHBondContact O-N 2.68Å; E405-M407 VanDerWaalsContact C-N 3.26Å; E405-M407 PolarHBondContact O-N 3.33Å; E405-V408 PolarHBondContact O-N 3.1Å; E405-L409 WeakPolarHBondContact O-CG 3.4Å; E405-L409 PolarHBondContact O-N 2.86Å
406Q95.4Very high94Very high28 Ų2855.2 Ų55.213%0.13128%0.284CS..Hα-helixtrans-61-34.5175.1-69-63.5-67.200112.7M388 W389 S390 F397 S402 L403 L404 N410M388-Q406 HydrophobicContact CE-CB 4.01Å; W389-Q406 HydrophobicContact CB-CB 4.41Å; W389-Q406 WeakPolarHBondContact CB-O 3.42Å; S390-Q406 VanDerWaalsContact CB-OE1 3.28Å; S390-Q406 PolarHBondContact OG-OE1 2.85Å; F397-Q406 HydrophobicContact CE1-CG 3.77Å; F397-Q406 HydrophobicContact CZ-CG 3.88Å; S402-Q406 WeakPolarHBondContact O-CG 3.39Å; S402-Q406 PolarHBondContact O-N 3.48Å; S402-Q406 VanDerWaalsContact O-N 3.15Å; L403-Q406 PolarHBondContact O-N 2.67Å; L404-Q406 PolarHBondContact O-N 2.75Å; Q406-N410 PolarHBondContact O-N 3.31Å
407M96.6Very high94.2Very high1 Ų154.3 Ų54.31%0.00528%0.277CS..Hα-helixtrans-74.2-35.8176.6-72.5-173.1-171.400112.5M388 L403 L404 E405 N410 K411 L441 A444 W445 V448 W449M388-M407 HydrophobicContact CE-CE 4.27Å; M388-M407 HydrophobicContact CE-CG 4.17Å; M388-M407 HydrophobicContact SD-CE 3.67Å; M388-M407 HydrophobicContact SD-CG 3.88Å; L403-M407 HydrophobicContact CD1-CE 4.36Å; L403-M407 HydrophobicContact CD2-CE 4.25Å; L403-M407 HydrophobicContact CG-CE 4.03Å; L403-M407 WeakPolarHBondContact O-CG 3.41Å; L403-M407 PolarHBondContact O-N 3.44Å; L403-M407 VanDerWaalsContact O-N 3.12Å; L404-M407 PolarHBondContact O-N 3.06Å; E405-M407 VanDerWaalsContact C-N 3.26Å; E405-M407 PolarHBondContact O-N 3.33Å; M407-N410 PolarHBondContact O-N 3.35Å; M407-K411 WeakPolarHBondContact O-CB 3.38Å; M407-K411 PolarHBondContact O-N 3.17Å; M407-K411 VanDerWaalsContact O-N 3.1Å; M407-L441 HydrophobicContact CE-CD1 3.62Å; M407-A444 HydrophobicContact CE-CB 3.74Å; M407-A444 HydrophobicContact SD-CB 3.6Å; M407-W445 HydrophobicContact CE-CG 4.12Å; M407-V448 HydrophobicContact CB-CB 4.03Å; M407-V448 HydrophobicContact CB-CG1 3.83Å; M407-V448 HydrophobicContact CB-CG2 4.01Å; M407-W449 PolarHBondContact O-NE1 3.38Å
408V98.1Very high94.5Very high60 Ų6059.4 Ų59.436%0.36431%0.305SS..Hα-helixtrans-64.8-48.1177.4169.50000110.4L404 E405 N410 K411 E412 V448L404-V408 WeakPolarHBondContact O-CG2 3.49Å; L404-V408 PolarHBondContact O-N 2.94Å; E405-V408 PolarHBondContact O-N 3.1Å; V408-N410 VanDerWaalsContact C-N 3.29Å; V408-N410 PolarHBondContact O-N 3.19Å; V408-K411 CarbonylContact O-C 3.5Å; V408-K411 WeakPolarHBondContact O-CA 3.34Å; V408-K411 WeakPolarHBondContact O-CB 3.4Å; V408-K411 PolarHBondContact O-N 3.32Å; V408-E412 HydrophobicContact CG1-CG 4.32Å; V408-E412 PolarHBondContact O-N 3.09Å; V408-V448 HydrophobicContact CG2-CG1 4.11Å; V408-V448 HydrophobicContact CG2-CG2 4.18Å
409L98.3Very high95.4Very high55 Ų5554.1 Ų54.129%0.28828%0.281SS..Hα-helixtrans-56-43.7176.9-69.1171.1000112.2W389 E405 K411 E412 F413W389-L409 HydrophobicContact CB-CB 4.21Å; W389-L409 HydrophobicContact CD2-CB 3.81Å; W389-L409 HydrophobicContact CE3-CB 4.24Å; W389-L409 HydrophobicContact CG-CB 3.81Å; W389-L409 HydrophobicContact CG-CD1 4.27Å; E405-L409 WeakPolarHBondContact O-CG 3.4Å; E405-L409 PolarHBondContact O-N 2.86Å; L409-K411 VanDerWaalsContact C-N 3.25Å; L409-K411 PolarHBondContact O-N 3.44Å; L409-E412 PolarHBondContact O-N 3.49Å; L409-F413 PolarHBondContact O-N 2.99Å; L409-F413 VanDerWaalsContact O-N 3.07Å
410N98.4Very high96.2Very high0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-67.7-28.1177.7-152.756.2000112.6F356 G358 W389 Q406 M407 V408 A414 W449F356-N410 VanDerWaalsContact CE2-ND2 3.32Å; F356-N410 WeakPolarHBondContact CE2-ND2 3.25Å; F356-N410 PolarHBondContact O-ND2 3.17Å; G358-N410 PolarHBondContact N-OD1 3.12Å; W389-N410 HydrophobicContact CB-CB 3.97Å; W389-N410 HydrophobicContact CE3-CB 4.31Å; Q406-N410 PolarHBondContact O-N 3.31Å; M407-N410 PolarHBondContact O-N 3.35Å; V408-N410 VanDerWaalsContact C-N 3.29Å; V408-N410 PolarHBondContact O-N 3.19Å; N410-A414 PolarHBondContact O-N 2.97Å; N410-W449 HydrophobicContact CB-CZ2 4.11Å
411K98.5Very high96.7Very high65 Ų6552.3 Ų52.328%0.28328%0.276SS..Hα-helixtrans-77.2-39.3177-168.5177.5-179.8-176.50111.9M407 V408 L409 A414 L415 V421 V448 W449M407-K411 WeakPolarHBondContact O-CB 3.38Å; M407-K411 PolarHBondContact O-N 3.17Å; M407-K411 VanDerWaalsContact O-N 3.1Å; V408-K411 CarbonylContact O-C 3.5Å; V408-K411 WeakPolarHBondContact O-CA 3.34Å; V408-K411 WeakPolarHBondContact O-CB 3.4Å; V408-K411 PolarHBondContact O-N 3.32Å; L409-K411 VanDerWaalsContact C-N 3.25Å; L409-K411 PolarHBondContact O-N 3.44Å; K411-A414 WeakPolarHBondContact O-CB 3.42Å; K411-A414 PolarHBondContact O-N 3.47Å; K411-L415 WeakPolarHBondContact O-CG 3.43Å; K411-L415 PolarHBondContact O-N 3.42Å; K411-V421 HydrophobicContact CG-CG1 4.32Å; K411-V448 HydrophobicContact CB-CG1 4.41Å; K411-V448 HydrophobicContact CD-CG1 3.99Å; K411-V448 WeakPolarHBondContact CD-O 3.27Å; K411-V448 WeakPolarHBondContact CE-O 3.41Å; K411-V448 PolarHBondContact NZ-O 3.11Å; K411-W449 VanDerWaalsContact CA-CH2 3.4Å; K411-W449 VanDerWaalsContact CA-CZ2 3.44Å; K411-W449 HydrophobicContact CB-CH2 3.68Å; K411-W449 HydrophobicContact CB-CZ2 3.47Å; K411-W449 VanDerWaalsContact CB-CZ2 3.47Å; K411-W449 HydrophobicContact CB-CZ3 4.3Å; K411-W449 HydrophobicContact CG-CE3 4.35Å; K411-W449 HydrophobicContact CG-CH2 3.89Å; K411-W449 HydrophobicContact CG-CZ2 4.09Å; K411-W449 HydrophobicContact CG-CZ3 4.03Å
412E98.5Very high96.8Very high94 Ų9455 Ų5544%0.43929%0.285SS..Hα-helixtrans-60.3-48.8173.7-72.3172.1167.900110.4V408 L409 A414 L415 E416V408-E412 HydrophobicContact CG1-CG 4.32Å; V408-E412 PolarHBondContact O-N 3.09Å; L409-E412 PolarHBondContact O-N 3.49Å; E412-A414 VanDerWaalsContact C-N 3.26Å; E412-A414 PolarHBondContact O-N 2.74Å; E412-L415 PolarHBondContact O-N 2.78Å; E412-L415 VanDerWaalsContact O-N 3.07Å; E412-E416 WeakPolarHBondContact O-CG 3.5Å; E412-E416 PolarHBondContact O-N 3.39Å
413F98.6Very high96.9Very high12 Ų1254.7 Ų54.75%0.05328%0.279CS..Hα-helixtrans-54-43.1173.1177.1-88.6000112.6F320 F356 Y361 W389 L409 E416 H417 I419F320-F413 HydrophobicContact CD2-CE1 4.35Å; F320-F413 HydrophobicContact CD2-CZ 4.4Å; F320-F413 AromaticContact CE2-CE1 3.85Å; F320-F413 HydrophobicContact CE2-CE1 3.85Å; F320-F413 HydrophobicContact CE2-CZ 4.02Å; F356-F413 HydrophobicContact CD2-CD1 4.18Å; F356-F413 HydrophobicContact CD2-CE1 4.35Å; F356-F413 HydrophobicContact CE2-CD1 4.08Å; Y361-F413 AromaticContact CD1-CE2 3.89Å; Y361-F413 HydrophobicContact CD1-CE2 3.89Å; Y361-F413 HydrophobicContact CD1-CZ 4.19Å; Y361-F413 HydrophobicContact CD2-CZ 4.26Å; Y361-F413 AromaticContact CG-CE2 3.89Å; Y361-F413 HydrophobicContact CG-CE2 3.89Å; Y361-F413 AromaticContact CG-CZ 3.81Å; Y361-F413 HydrophobicContact CG-CZ 3.81Å; W389-F413 HydrophobicContact CZ3-CB 3.75Å; W389-F413 HydrophobicContact CZ3-CD2 4.14Å; W389-F413 HydrophobicContact CZ3-CG 4.06Å; L409-F413 PolarHBondContact O-N 2.99Å; L409-F413 VanDerWaalsContact O-N 3.07Å; F413-E416 PolarHBondContact O-N 2.99Å; F413-H417 AromaticContact CD2-CE1 3.65Å; F413-H417 AromaticContact CD2-ND1 3.67Å; F413-H417 AromaticContact CE2-CE1 3.37Å; F413-H417 WeakPolarHBondContact CE2-CE1 3.49Å; F413-H417 AromaticContact CE2-ND1 3.54Å; F413-H417 AromaticContact CG-ND1 3.99Å; F413-H417 AromaticContact CZ-CE1 3.92Å; F413-H417 AromaticContact CZ-ND1 3.75Å; F413-H417 PolarHBondContact O-N 2.84Å; F413-H417 VanDerWaalsContact O-N 3.15Å; F413-H417 PolarHBondContact O-ND1 2.82Å; F413-I419 HydrophobicContact CD1-CD1 4.38Å; F413-I419 HydrophobicContact CE1-CD1 4.01Å
414A98.5Very high97.1Very high0 Ų054.9 Ų54.90%028%0.281CS..Hα-helixtrans-62.5-43.6178.100000112.1F356 N410 K411 E412 H417 N418 I419 V421 W449F356-A414 HydrophobicContact CE2-CB 4.07Å; F356-A414 HydrophobicContact CZ-CB 3.71Å; N410-A414 PolarHBondContact O-N 2.97Å; K411-A414 WeakPolarHBondContact O-CB 3.42Å; K411-A414 PolarHBondContact O-N 3.47Å; E412-A414 VanDerWaalsContact C-N 3.26Å; E412-A414 PolarHBondContact O-N 2.74Å; A414-H417 CarbonylContact O-C 3.58Å; A414-H417 PolarHBondContact O-N 3.39Å; A414-N418 PolarHBondContact O-N 3.17Å; A414-N418 VanDerWaalsContact O-N 3.07Å; A414-I419 HydrophobicContact CB-CB 3.93Å; A414-I419 HydrophobicContact CB-CG2 4.29Å; A414-I419 PolarHBondContact O-N 3.03Å; A414-V421 HydrophobicContact CB-CG1 3.77Å; A414-W449 HydrophobicContact CB-CH2 4.17Å
415L98.3Very high97.2Very high101 Ų10153.2 Ų53.253%0.52927%0.272SS..Hα-helixtrans-65.5-41.7177.7-68.6169.4000111.9K411 E412 H417 N418 V421K411-L415 WeakPolarHBondContact O-CG 3.43Å; K411-L415 PolarHBondContact O-N 3.42Å; E412-L415 PolarHBondContact O-N 2.78Å; E412-L415 VanDerWaalsContact O-N 3.07Å; L415-H417 VanDerWaalsContact C-N 3.26Å; L415-H417 PolarHBondContact O-N 3.2Å; L415-N418 PolarHBondContact O-N 2.73Å; L415-V421 HydrophobicContact CD2-CG1 4.13Å; L415-V421 HydrophobicContact CD2-CG2 4.15Å; L415-V421 HydrophobicContact CG-CG1 4.35Å
416E98.3Very high97.4Very high142 Ų14247.6 Ų47.666%0.66425%0.245SC*.Hα-helixtrans-61-35.2177.7-72.7174.1176.800112.5E412 F413E412-E416 WeakPolarHBondContact O-CG 3.5Å; E412-E416 PolarHBondContact O-N 3.39Å; F413-E416 PolarHBondContact O-N 2.99Å
417H98.1Very high97.5Very high51 Ų5146.3 Ų46.324%0.23624%0.239CC..THydrogen-bonded Turntrans-103.413.9-177.3-6186.3000113.8Y361 L376 F413 A414 L415 I419Y361-H417 AromaticContact CE1-NE2 3.9Å; L376-H417 HydrophobicContact CD1-CB 4.06Å; L376-H417 VanDerWaalsContact CD1-CD2 3.49Å; L376-H417 WeakPolarHBondContact CD1-CD2 3.48Å; L376-H417 HydrophobicContact CD2-CB 4.18Å; F413-H417 AromaticContact CD2-CE1 3.65Å; F413-H417 AromaticContact CD2-ND1 3.67Å; F413-H417 AromaticContact CE2-CE1 3.37Å; F413-H417 WeakPolarHBondContact CE2-CE1 3.49Å; F413-H417 AromaticContact CE2-ND1 3.54Å; F413-H417 AromaticContact CG-ND1 3.99Å; F413-H417 AromaticContact CZ-CE1 3.92Å; F413-H417 AromaticContact CZ-ND1 3.75Å; F413-H417 PolarHBondContact O-N 2.84Å; F413-H417 VanDerWaalsContact O-N 3.15Å; F413-H417 PolarHBondContact O-ND1 2.82Å; A414-H417 CarbonylContact O-C 3.58Å; A414-H417 PolarHBondContact O-N 3.39Å; L415-H417 VanDerWaalsContact C-N 3.26Å; L415-H417 PolarHBondContact O-N 3.2Å; H417-I419 HydrophobicContact CB-CG1 4.48Å; H417-I419 PolarHBondContact O-N 3.06Å
418N97.6Very high97.5Very high125 Ų12546.3 Ų46.367%0.66824%0.24SC*.THydrogen-bonded Turntrans5727.3-179.8-54.7-68.7000115A414 L415A414-N418 PolarHBondContact O-N 3.17Å; A414-N418 VanDerWaalsContact O-N 3.07Å; L415-N418 PolarHBondContact O-N 2.73Å
419I98.4Very high97.4Very high5 Ų543.5 Ų43.53%0.02622%0.222CC..  trans-72.2129.8171.5-63.8169.6000109.1F356 L376 V379 W384 F413 A414 H417 V421F356-I419 HydrophobicContact CD1-CG2 4.37Å; F356-I419 HydrophobicContact CD2-CD1 4.27Å; F356-I419 HydrophobicContact CE1-CG2 3.83Å; F356-I419 HydrophobicContact CE2-CD1 4.3Å; F356-I419 HydrophobicContact CG-CD1 4.44Å; F356-I419 HydrophobicContact CZ-CD1 4.49Å; F356-I419 HydrophobicContact CZ-CG2 4.16Å; L376-I419 HydrophobicContact CD2-CD1 3.78Å; L376-I419 HydrophobicContact CD2-CG1 4.01Å; V379-I419 HydrophobicContact CG2-CB 4.33Å; V379-I419 HydrophobicContact CG2-CG1 3.92Å; W384-I419 HydrophobicContact CB-CG2 3.57Å; W384-I419 HydrophobicContact CD2-CG1 4.48Å; W384-I419 HydrophobicContact CD2-CG2 3.87Å; W384-I419 HydrophobicContact CE3-CD1 4.24Å; W384-I419 HydrophobicContact CE3-CG1 4.47Å; W384-I419 HydrophobicContact CE3-CG2 4.09Å; W384-I419 HydrophobicContact CG-CG2 3.65Å; W384-I419 HydrophobicContact CZ3-CD1 4.22Å; F413-I419 HydrophobicContact CD1-CD1 4.38Å; F413-I419 HydrophobicContact CE1-CD1 4.01Å; A414-I419 HydrophobicContact CB-CB 3.93Å; A414-I419 HydrophobicContact CB-CG2 4.29Å; A414-I419 PolarHBondContact O-N 3.03Å; H417-I419 HydrophobicContact CB-CG1 4.48Å; H417-I419 PolarHBondContact O-N 3.06Å; I419-V421 WeakPolarHBondContact O-CG1 3.38Å; I419-V421 PolarHBondContact O-N 2.89Å
420P96.1Very high97.2Very high41 Ų4145 Ų4527%0.26623%0.228SC..  trans-57.1129.4177.7-26.634.4000113.2M423P420-M423 HydrophobicContact CB-CG 4.26Å
421V95.9Very high97Very high40 Ų4045.1 Ų45.124%0.24223%0.228CC..  trans-1090.4-176.4-60.50000114.3K411 A414 L415 I419 W449K411-V421 HydrophobicContact CG-CG1 4.32Å; A414-V421 HydrophobicContact CB-CG1 3.77Å; L415-V421 HydrophobicContact CD2-CG1 4.13Å; L415-V421 HydrophobicContact CD2-CG2 4.15Å; L415-V421 HydrophobicContact CG-CG1 4.35Å; I419-V421 WeakPolarHBondContact O-CG1 3.38Å; I419-V421 PolarHBondContact O-N 2.89Å; V421-W449 HydrophobicContact CB-CE3 4.46Å; V421-W449 HydrophobicContact CB-CZ3 4.05Å; V421-W449 HydrophobicContact CG1-CZ3 3.92Å
422D94.1Very high96.9Very high128 Ų12842 Ų4268%0.68422%0.215SC*.  trans-111.77.4-171.567.8-26.2000114.2G424D422-G424 PolarHBondContact O-N 3.04Å; D422-G424 VanDerWaalsContact O-N 3.11Å
423M94.3Very high96.7Very high46 Ų4637.5 Ų37.523%0.22719%0.194CC..SBendtrans-59.8-23.9178.5-67.9-62.2-72.700113.6W383 P420 Y425W383-M423 HydrophobicContact CB-CE 3.86Å; W383-M423 HydrophobicContact CD2-CE 4.12Å; W383-M423 HydrophobicContact CG-CE 3.61Å; P420-M423 HydrophobicContact CB-CG 4.26Å; M423-Y425 PolarHBondContact O-N 2.75Å
424G96.4Very high96.6Very high4 Ų437 Ų374%0.04119%0.191CC..  trans67.918175.700000114.6D422 R452 V453D422-G424 PolarHBondContact O-N 3.04Å; D422-G424 VanDerWaalsContact O-N 3.11Å; G424-R452 PolarHBondContact O-N 3.48Å; G424-V453 PolarHBondContact O-N 3.4Å
425Y98.4Very high96.5Very high2 Ų237 Ų371%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-120.8139.6177.1-179.1-116.9000110.4D315 N353 F385 P386 M423 V427 V453 S455 P561D315-Y425 WeakPolarHBondContact OD2-CE1 3.39Å; D315-Y425 PolarHBondContact OD2-OH 3.09Å; N353-Y425 WeakPolarHBondContact ND2-CD1 3.41Å; N353-Y425 VanDerWaalsContact ND2-CE1 3.31Å; N353-Y425 WeakPolarHBondContact ND2-CE1 3.24Å; F385-Y425 HydrophobicContact CB-CD1 3.77Å; F385-Y425 HydrophobicContact CB-CE1 4.45Å; F385-Y425 VanDerWaalsContact CB-O 3.31Å; F385-Y425 WeakPolarHBondContact CB-O 3.46Å; F385-Y425 AromaticContact CD1-CD1 3.92Å; F385-Y425 HydrophobicContact CD1-CD1 3.92Å; F385-Y425 AromaticContact CD1-CE1 3.93Å; F385-Y425 HydrophobicContact CD1-CE1 3.93Å; F385-Y425 HydrophobicContact CD2-CE1 4.49Å; F385-Y425 HydrophobicContact CE1-CE1 4.22Å; F385-Y425 AromaticContact CG-CD1 3.85Å; F385-Y425 HydrophobicContact CG-CD1 3.85Å; F385-Y425 HydrophobicContact CG-CE1 4.05Å; P386-Y425 WeakPolarHBondContact CD-O 3.48Å; M423-Y425 PolarHBondContact O-N 2.75Å; Y425-V427 HydrophobicContact CE1-CG2 3.82Å; Y425-V427 HydrophobicContact CE2-CG2 4.42Å; Y425-V427 WeakPolarHBondContact OH-CG2 3.3Å; Y425-V453 VanDerWaalsContact CA-O 3.31Å; Y425-V453 WeakPolarHBondContact CA-O 3.42Å; Y425-V453 HydrophobicContact CD2-CB 3.88Å; Y425-V453 HydrophobicContact CD2-CG1 3.72Å; Y425-V453 WeakPolarHBondContact CD2-O 3.35Å; Y425-V453 HydrophobicContact CE2-CG1 4.06Å; Y425-S455 WeakPolarHBondContact OH-CB 3.33Å; Y425-S455 PolarHBondContact OH-OG 3.38Å; Y425-P561 HydrophobicContact CD1-CB 4.09Å; Y425-P561 HydrophobicContact CD1-CG 3.86Å; Y425-P561 HydrophobicContact CD2-CB 3.73Å; Y425-P561 HydrophobicContact CD2-CG 4.41Å; Y425-P561 HydrophobicContact CE1-CG 4.43Å; Y425-P561 HydrophobicContact CE2-CB 4.34Å; Y425-P561 HydrophobicContact CG-CB 3.56Å; Y425-P561 HydrophobicContact CG-CG 3.83Å
426A97.9Very high96.3Very high0 Ų032.2 Ų32.20%017%0.167CC..EExtended strand (participates in β ladder)trans-147.1155.8173.300000110.6P386 W445 I451 V453 T454P386-A426 HydrophobicContact CG-CB 3.83Å; A426-W445 HydrophobicContact CB-CD2 4.44Å; A426-W445 HydrophobicContact CB-CZ2 4.02Å; A426-I451 HydrophobicContact CB-CD1 3.61Å; A426-I451 HydrophobicContact CB-CG1 3.77Å; A426-I451 HydrophobicContact CB-CG2 4.18Å; A426-V453 PolarHBondContact N-O 2.91Å; A426-T454 VanDerWaalsContact O-CA 3.28Å; A426-T454 WeakPolarHBondContact O-CA 3.31Å; A426-T454 WeakPolarHBondContact O-CB 3.2Å; A426-T454 PolarHBondContact O-OG1 3.27Å
427V97.6Very high96.2Very high1 Ų126 Ų261%0.00614%0.138CC..  trans-129.4133.5170-176.70000107.1F385 H387 Y425 R481F385-V427 HydrophobicContact CD2-CB 4.14Å; F385-V427 HydrophobicContact CD2-CG2 4.01Å; F385-V427 HydrophobicContact CE2-CB 3.74Å; F385-V427 HydrophobicContact CE2-CG2 3.67Å; F385-V427 HydrophobicContact CZ-CG2 4.2Å; H387-V427 PolarHBondContact ND1-O 2.84Å; Y425-V427 HydrophobicContact CE1-CG2 3.82Å; Y425-V427 HydrophobicContact CE2-CG2 4.42Å; Y425-V427 WeakPolarHBondContact OH-CG2 3.3Å; V427-R481 VanDerWaalsContact CG1-NH1 3.25Å
428A97.3Very high95.9Very high1 Ų124.1 Ų24.11%0.00813%0.13CC..  trans-81.3144173.900000111P394 H430 H431 S432 V434 L441 W445P394-A428 HydrophobicContact CG-CB 3.78Å; A428-H430 PolarHBondContact O-N 3.46Å; A428-H431 WeakPolarHBondContact O-CA 3.12Å; A428-H431 PolarHBondContact O-N 3.46Å; A428-S432 WeakPolarHBondContact CB-O 3.46Å; A428-V434 HydrophobicContact CB-CG2 3.92Å; A428-L441 HydrophobicContact CB-CD2 4.02Å; A428-W445 HydrophobicContact CB-CH2 4.17Å; A428-W445 HydrophobicContact CB-CZ2 3.86Å
429P96.3Very high95.7Very high0 Ų020.1 Ų20.10%011%0.108CC..G310 helixtrans-48.1129.7170.9-32.237.8000112.2H387 M388 Q393 H431 S432H387-P429 WeakPolarHBondContact O-CG 3.31Å; M388-P429 HydrophobicContact CB-CG 4.02Å; M388-P429 VanDerWaalsContact CG-CD 3.45Å; M388-P429 HydrophobicContact CG-CG 3.85Å; Q393-P429 HydrophobicContact CG-CB 4.41Å; P429-H431 PolarHBondContact O-N 2.88Å; P429-H431 VanDerWaalsContact O-N 3.07Å; P429-S432 PolarHBondContact O-N 2.87Å
430H93.7Very high95.4Very high86 Ų8622.2 Ų22.240%0.39812%0.118SC..G310 helixtrans54.620.3-175.8-58.4-94.5000115.3Q393 A428 S432 R588Q393-H430 HydrophobicContact CG-CB 4.2Å; Q393-H430 PolarHBondContact NE2-CD2 3.07Å; Q393-H430 PolarHBondContact NE2-NE2 2.79Å; A428-H430 PolarHBondContact O-N 3.46Å; H430-S432 PolarHBondContact O-N 2.96Å; H430-R588 PolarHBondContact O-NH2 3.08Å
431H95.3Very high95.3Very high3 Ų320.2 Ų20.21%0.01411%0.105CC..G310 helixtrans57.412.5-173.4-55.8-75.5000115.2A428 P429 G433 V434 S455 E457 E458 R481 M525A428-H431 WeakPolarHBondContact O-CA 3.12Å; A428-H431 PolarHBondContact O-N 3.46Å; P429-H431 PolarHBondContact O-N 2.88Å; P429-H431 VanDerWaalsContact O-N 3.07Å; H431-G433 PolarHBondContact O-N 3.11Å; H431-V434 WeakPolarHBondContact O-CB 3.46Å; H431-V434 PolarHBondContact O-N 3.43Å; H431-S455 PolarHBondContact ND1-O 3.32Å; H431-E457 IonicContact CD2-OE1 3.92Å; H431-E458 HydrophobicContact CB-CG 3.98Å; H431-R481 PolarHBondContact CE1-NH1 3.35Å; H431-M525 PolarHBondContact NE2-SD 3.03Å
432S95.6Very high95.3Very high0 Ų018.3 Ų18.30%09%0.093CC..THydrogen-bonded Turntrans-59.8133-178.5143.80000110.6P394 H395 A428 P429 H430 V434P394-S432 WeakPolarHBondContact CD-OG 3.46Å; P394-S432 WeakPolarHBondContact CG-O 3.42Å; H395-S432 PolarHBondContact N-OG 3.42Å; H395-S432 VanDerWaalsContact N-OG 3.11Å; H395-S432 VanDerWaalsContact ND1-CB 3.3Å; H395-S432 WeakPolarHBondContact ND1-CB 3.41Å; H395-S432 PolarHBondContact ND1-OG 3.13Å; A428-S432 WeakPolarHBondContact CB-O 3.46Å; P429-S432 PolarHBondContact O-N 2.87Å; H430-S432 PolarHBondContact O-N 2.96Å; S432-V434 PolarHBondContact O-N 2.94Å
433G94.3Very high95.3Very high0 Ų014.6 Ų14.60%07%0.072CC..THydrogen-bonded Turntrans77.9-10.5177.300000114.6H431 P436 V437 H438 L441 Y442H431-G433 PolarHBondContact O-N 3.11Å; G433-P436 CarbonylContact C-O 3.58Å; G433-P436 WeakPolarHBondContact CA-O 3.37Å; G433-V437 WeakPolarHBondContact O-CA 3.37Å; G433-H438 PolarHBondContact O-N 3.24Å; G433-L441 VanDerWaalsContact C-CD2 3.5Å; G433-Y442 WeakPolarHBondContact O-CE2 3.4Å
434V96.6Very high95.4Very high0 Ų012.4 Ų12.40%06%0.061CC..THydrogen-bonded Turntrans-73-51.7167.2-173.10000109.1A428 H431 S432 V437 L441 Y442 W445 T454 T456 V478A428-V434 HydrophobicContact CB-CG2 3.92Å; H431-V434 WeakPolarHBondContact O-CB 3.46Å; H431-V434 PolarHBondContact O-N 3.43Å; S432-V434 PolarHBondContact O-N 2.94Å; V434-V437 WeakPolarHBondContact O-CG2 3.32Å; V434-L441 HydrophobicContact CG2-CD2 4.21Å; V434-Y442 PolarHBondContact O-OH 3.08Å; V434-W445 HydrophobicContact CG2-CH2 3.6Å; V434-W445 HydrophobicContact CG2-CZ3 4.19Å; V434-T454 HydrophobicContact CG1-CG2 3.74Å; V434-T456 HydrophobicContact CG1-CG2 4.01Å; V434-V478 HydrophobicContact CG1-CG1 3.79Å
435Y96Very high95.4Very high0 Ų012.4 Ų12.40%06%0.06CC..THydrogen-bonded Turntrans-149.2128.4167.3-167.2-97.5000110.8E458 Y459 P460 F471 W580 Q581 H589Y435-E458 HydrophobicContact CD1-CB 4.36Å; Y435-E458 WeakPolarHBondContact CD1-O 3.46Å; Y435-E458 WeakPolarHBondContact O-CB 3.4Å; Y435-Y459 HydrophobicContact CD1-CD2 4.06Å; Y435-Y459 AromaticContact CD2-CD2 3.53Å; Y435-Y459 HydrophobicContact CD2-CD2 3.53Å; Y435-Y459 HydrophobicContact CD2-CE2 4.35Å; Y435-Y459 HydrophobicContact CD2-CG 4.23Å; Y435-Y459 AromaticContact CE1-CD2 3.88Å; Y435-Y459 HydrophobicContact CE1-CD2 3.88Å; Y435-Y459 AromaticContact CE2-CD2 3.35Å; Y435-Y459 HydrophobicContact CE2-CD2 3.35Å; Y435-Y459 AromaticContact CE2-CE2 3.83Å; Y435-Y459 HydrophobicContact CE2-CE2 3.83Å; Y435-Y459 HydrophobicContact CE2-CG 4.43Å; Y435-Y459 AromaticContact CG-CD2 3.89Å; Y435-Y459 HydrophobicContact CG-CD2 3.89Å; Y435-Y459 HydrophobicContact CG-CG 4.27Å; Y435-Y459 AromaticContact CZ-CD2 3.52Å; Y435-P460 WeakPolarHBondContact CE1-O 3.35Å; Y435-F471 HydrophobicContact CD2-CE1 4.37Å; Y435-F471 HydrophobicContact CD2-CZ 4.2Å; Y435-W580 HydrophobicContact CE2-CE3 4.06Å; Y435-W580 HydrophobicContact CE2-CZ3 4.29Å; Y435-Q581 WeakPolarHBondContact OH-CB 3.39Å; Y435-Q581 WeakPolarHBondContact OH-CG 3.31Å; Y435-Q581 PolarHBondContact OH-N 3.24Å; Y435-H589 AromaticContact CD1-CE1 3.95Å; Y435-H589 AromaticContact CD1-NE2 3.83Å; Y435-H589 AromaticContact CE1-CE1 3.52Å; Y435-H589 AromaticContact CE1-ND1 3.9Å; Y435-H589 AromaticContact CE1-NE2 3.89Å
436P95Very high95.2Very high2 Ų216 Ų161%0.0137%0.073CC..THydrogen-bonded Turncis-55.7143.4-8-2233.2000111.9G433 H438 P583 H589G433-P436 CarbonylContact C-O 3.58Å; G433-P436 WeakPolarHBondContact CA-O 3.37Å; P436-H438 PolarHBondContact O-N 3.21Å; P436-P583 HydrophobicContact CB-CB 4.29Å; P436-P583 HydrophobicContact CB-CG 4.14Å; P436-P583 HydrophobicContact CG-CB 3.82Å; P436-P583 HydrophobicContact CG-CG 4.16Å; P436-H589 HydrophobicContact CG-CB 3.61Å
437V94.8Very high95Very high11 Ų1124 Ų247%0.06710%0.103CC..THydrogen-bonded Turntrans-62132.7-174.9169.80000110.2G433 V434 Y442 F471 W580 K597G433-V437 WeakPolarHBondContact O-CA 3.37Å; V434-V437 WeakPolarHBondContact O-CG2 3.32Å; V437-Y442 HydrophobicContact CB-CE2 4.41Å; V437-Y442 HydrophobicContact CG1-CD2 4.05Å; V437-Y442 HydrophobicContact CG1-CE2 3.82Å; V437-Y442 HydrophobicContact CG2-CE2 4.21Å; V437-F471 HydrophobicContact CG2-CE2 4.17Å; V437-F471 HydrophobicContact CG2-CZ 4.27Å; V437-W580 HydrophobicContact CG2-CH2 4.11Å; V437-W580 HydrophobicContact CG2-CZ3 3.88Å; V437-K597 PolarHBondContact O-NZ 3.22Å
438H93.1Very high95Very high11 Ų1124.6 Ų24.65%0.05111%0.107CC..  trans-113.1107.2167-176.861.3000108.3G433 P436 Q440 L441G433-H438 PolarHBondContact O-N 3.24Å; P436-H438 PolarHBondContact O-N 3.21Å; H438-Q440 VanDerWaalsContact C-N 3.28Å; H438-Q440 PolarHBondContact NE2-OE1 3.07Å; H438-Q440 PolarHBondContact O-N 3.46Å; H438-L441 HydrophobicContact CB-CB 4.49Å; H438-L441 VanDerWaalsContact O-CB 3.3Å; H438-L441 WeakPolarHBondContact O-CB 3.49Å; H438-L441 PolarHBondContact O-N 2.85Å
439L91.6Very high94.9Very high41 Ų4125 Ų2522%0.21511%0.109CC..Hα-helixtrans-57.5-39.7-167.9-174.262.5000113.3L441 Y442 E443 D654L439-L441 PolarHBondContact O-N 2.79Å; L439-Y442 PolarHBondContact O-N 3.28Å; L439-Y442 VanDerWaalsContact O-N 3.09Å; L439-E443 PolarHBondContact O-N 3.37Å; L439-E443 VanDerWaalsContact O-N 3.09Å; L439-D654 PolarHBondContact N-OD2 3.31Å
440Q92.3Very high94.9Very high49 Ų4930.2 Ų30.223%0.22914%0.136CC..Hα-helixtrans-57.4-33.7178.4-64.1176.1-5.500112.3E400 L403 H438 E443 A444E400-Q440 HydrophobicContact CB-CB 4.45Å; E400-Q440 HydrophobicContact CB-CG 4.21Å; E400-Q440 HydrophobicContact CG-CB 4.23Å; E400-Q440 HydrophobicContact CG-CG 4.38Å; L403-Q440 HydrophobicContact CD2-CB 4.32Å; H438-Q440 VanDerWaalsContact C-N 3.28Å; H438-Q440 PolarHBondContact NE2-OE1 3.07Å; H438-Q440 PolarHBondContact O-N 3.46Å; Q440-E443 PolarHBondContact O-N 3.28Å; Q440-A444 VanDerWaalsContact O-CB 3.25Å; Q440-A444 WeakPolarHBondContact O-CB 3.33Å; Q440-A444 PolarHBondContact O-N 3.3Å
441L95.4Very high95.1Very high0 Ų026.3 Ų26.30%012%0.118CC..Hα-helixtrans-63.3-47.8175.817863.5000111.8P394 L403 M407 A428 G433 V434 H438 L439 E443 A444 W445P394-L441 HydrophobicContact CB-CB 4.29Å; P394-L441 HydrophobicContact CB-CD1 3.95Å; P394-L441 HydrophobicContact CB-CD2 4.08Å; P394-L441 HydrophobicContact CB-CG 4.33Å; P394-L441 HydrophobicContact CG-CD1 3.65Å; P394-L441 HydrophobicContact CG-CD2 3.94Å; P394-L441 HydrophobicContact CG-CG 4.32Å; L403-L441 HydrophobicContact CD2-CB 4.4Å; L403-L441 HydrophobicContact CD2-CD1 4.46Å; M407-L441 HydrophobicContact CE-CD1 3.62Å; A428-L441 HydrophobicContact CB-CD2 4.02Å; G433-L441 VanDerWaalsContact C-CD2 3.5Å; V434-L441 HydrophobicContact CG2-CD2 4.21Å; H438-L441 HydrophobicContact CB-CB 4.49Å; H438-L441 VanDerWaalsContact O-CB 3.3Å; H438-L441 WeakPolarHBondContact O-CB 3.49Å; H438-L441 PolarHBondContact O-N 2.85Å; L439-L441 PolarHBondContact O-N 2.79Å; L441-E443 VanDerWaalsContact C-N 3.29Å; L441-E443 PolarHBondContact O-N 3.49Å; L441-A444 PolarHBondContact O-N 3.12Å; L441-W445 HydrophobicContact CD1-CD2 3.85Å; L441-W445 HydrophobicContact CD1-CE3 4.37Å; L441-W445 HydrophobicContact CD1-CG 4.27Å; L441-W445 HydrophobicContact CD1-CH2 4.41Å; L441-W445 HydrophobicContact CD1-CZ2 3.85Å; L441-W445 HydrophobicContact CD2-CE3 4.36Å; L441-W445 HydrophobicContact CD2-CH2 3.8Å; L441-W445 HydrophobicContact CD2-CZ2 4.02Å; L441-W445 HydrophobicContact CD2-CZ3 3.94Å; L441-W445 HydrophobicContact CG-CD2 3.9Å; L441-W445 HydrophobicContact CG-CE3 3.91Å; L441-W445 HydrophobicContact CG-CH2 4.13Å; L441-W445 HydrophobicContact CG-CZ2 4.08Å; L441-W445 HydrophobicContact CG-CZ3 4.01Å; L441-W445 VanDerWaalsContact O-CB 3.26Å; L441-W445 WeakPolarHBondContact O-CB 3.29Å; L441-W445 PolarHBondContact O-N 2.74Å
442Y95.8Very high95.3Very high0 Ų031.2 Ų31.20%014%0.137CC..Hα-helixtrans-67.3-32.4-179.3-75.8-108.6000111.6G433 V434 V437 L439 R446 H473 N474 I476 V478G433-Y442 WeakPolarHBondContact O-CE2 3.4Å; V434-Y442 PolarHBondContact O-OH 3.08Å; V437-Y442 HydrophobicContact CB-CE2 4.41Å; V437-Y442 HydrophobicContact CG1-CD2 4.05Å; V437-Y442 HydrophobicContact CG1-CE2 3.82Å; V437-Y442 HydrophobicContact CG2-CE2 4.21Å; L439-Y442 PolarHBondContact O-N 3.28Å; L439-Y442 VanDerWaalsContact O-N 3.09Å; Y442-R446 WeakPolarHBondContact O-CG 3.35Å; Y442-R446 PolarHBondContact O-N 2.97Å; Y442-R446 PolarHBondContact O-NE 3.28Å; Y442-H473 AromaticContact CD1-CD2 3.83Å; Y442-H473 HydrophobicContact CE1-CB 4.13Å; Y442-H473 AromaticContact CE1-CD2 3.84Å; Y442-N474 HydrophobicContact CD1-CB 4.17Å; Y442-I476 HydrophobicContact CD1-CB 3.97Å; Y442-I476 HydrophobicContact CD1-CD1 3.67Å; Y442-I476 HydrophobicContact CD1-CG1 4.04Å; Y442-I476 HydrophobicContact CE1-CB 4.02Å; Y442-I476 HydrophobicContact CE1-CD1 4.39Å; Y442-I476 HydrophobicContact CE1-CG2 4.38Å; Y442-I476 HydrophobicContact CG-CD1 4.3Å; Y442-V478 HydrophobicContact CE1-CG2 4.32Å; Y442-V478 WeakPolarHBondContact OH-CG2 3.29Å
443E93.9Very high95.4Very high49 Ų4931.3 Ų31.323%0.22914%0.137CC..Hα-helixtrans-70.4-49.7174.6-69.2178.4164.100111.6L439 Q440 L441 W445 R446 R447L439-E443 PolarHBondContact O-N 3.37Å; L439-E443 VanDerWaalsContact O-N 3.09Å; Q440-E443 PolarHBondContact O-N 3.28Å; L441-E443 VanDerWaalsContact C-N 3.29Å; L441-E443 PolarHBondContact O-N 3.49Å; E443-W445 PolarHBondContact O-N 3.4Å; E443-R446 PolarHBondContact O-N 3.36Å; E443-R447 WeakPolarHBondContact O-CB 3.34Å; E443-R447 WeakPolarHBondContact O-CG 3.31Å; E443-R447 PolarHBondContact O-N 3.43Å
444A95.4Very high95.6Very high0 Ų031.3 Ų31.30%014%0.137CC..Hα-helixtrans-60.9-44.1178.300000112.3L403 L404 M407 Q440 L441 R446 R447 V448L403-A444 HydrophobicContact CD2-CB 3.88Å; L403-A444 HydrophobicContact CG-CB 4.21Å; L404-A444 HydrophobicContact CD2-CB 3.68Å; L404-A444 HydrophobicContact CG-CB 4.22Å; M407-A444 HydrophobicContact CE-CB 3.74Å; M407-A444 HydrophobicContact SD-CB 3.6Å; Q440-A444 VanDerWaalsContact O-CB 3.25Å; Q440-A444 WeakPolarHBondContact O-CB 3.33Å; Q440-A444 PolarHBondContact O-N 3.3Å; L441-A444 PolarHBondContact O-N 3.12Å; A444-R446 VanDerWaalsContact C-N 3.35Å; A444-R446 PolarHBondContact O-N 3.08Å; A444-R447 PolarHBondContact O-N 3.19Å; A444-V448 PolarHBondContact O-N 3.24Å
445W96.6Very high95.7Very high4 Ų431.3 Ų31.32%0.01514%0.137CC..Iπ-helixtrans-58.5-41.9175.8-88.1-15.1000113.7M407 A426 A428 V434 L441 E443 W449 N450 I451 T454 I476M407-W445 HydrophobicContact CE-CG 4.12Å; A426-W445 HydrophobicContact CB-CD2 4.44Å; A426-W445 HydrophobicContact CB-CZ2 4.02Å; A428-W445 HydrophobicContact CB-CH2 4.17Å; A428-W445 HydrophobicContact CB-CZ2 3.86Å; V434-W445 HydrophobicContact CG2-CH2 3.6Å; V434-W445 HydrophobicContact CG2-CZ3 4.19Å; L441-W445 HydrophobicContact CD1-CD2 3.85Å; L441-W445 HydrophobicContact CD1-CE3 4.37Å; L441-W445 HydrophobicContact CD1-CG 4.27Å; L441-W445 HydrophobicContact CD1-CH2 4.41Å; L441-W445 HydrophobicContact CD1-CZ2 3.85Å; L441-W445 HydrophobicContact CD2-CE3 4.36Å; L441-W445 HydrophobicContact CD2-CH2 3.8Å; L441-W445 HydrophobicContact CD2-CZ2 4.02Å; L441-W445 HydrophobicContact CD2-CZ3 3.94Å; L441-W445 HydrophobicContact CG-CD2 3.9Å; L441-W445 HydrophobicContact CG-CE3 3.91Å; L441-W445 HydrophobicContact CG-CH2 4.13Å; L441-W445 HydrophobicContact CG-CZ2 4.08Å; L441-W445 HydrophobicContact CG-CZ3 4.01Å; L441-W445 VanDerWaalsContact O-CB 3.26Å; L441-W445 WeakPolarHBondContact O-CB 3.29Å; L441-W445 PolarHBondContact O-N 2.74Å; E443-W445 PolarHBondContact O-N 3.4Å; W445-W449 CarbonylContact O-C 3.28Å; W445-W449 WeakPolarHBondContact O-CA 3.27Å; W445-W449 PolarHBondContact O-N 3.43Å; W445-W449 VanDerWaalsContact O-N 3.08Å; W445-N450 PolarHBondContact O-N 3.26Å; W445-I451 HydrophobicContact CB-CB 3.9Å; W445-I451 HydrophobicContact CB-CG1 3.76Å; W445-I451 HydrophobicContact CD2-CG1 4.5Å; W445-I451 HydrophobicContact CG-CB 4.33Å; W445-I451 HydrophobicContact CG-CG1 3.89Å; W445-I451 PolarHBondContact O-N 3.46Å; W445-T454 HydrophobicContact CH2-CG2 4.27Å; W445-T454 VanDerWaalsContact CH2-OG1 3.27Å; W445-T454 WeakPolarHBondContact CH2-OG1 3.46Å; W445-T454 HydrophobicContact CZ3-CG2 3.86Å; W445-I476 HydrophobicContact CB-CD1 4.41Å; W445-I476 HydrophobicContact CE3-CD1 4.16Å
446R94.6Very high95.7Very high79 Ų7931.3 Ų31.330%0.29814%0.137SC..Iπ-helixtrans-70.1-42.5176.6-71.1179.9-56.9178.811.3111.8Y442 E443 A444 N450 N474 I476Y442-R446 WeakPolarHBondContact O-CG 3.35Å; Y442-R446 PolarHBondContact O-N 2.97Å; Y442-R446 PolarHBondContact O-NE 3.28Å; E443-R446 PolarHBondContact O-N 3.36Å; A444-R446 VanDerWaalsContact C-N 3.35Å; A444-R446 PolarHBondContact O-N 3.08Å; R446-N450 WeakPolarHBondContact O-CA 3.4Å; R446-N450 PolarHBondContact O-N 3.14Å; R446-N474 VanDerWaalsContact CZ-ND2 3.3Å; R446-N474 VanDerWaalsContact CZ-OD1 3.28Å; R446-N474 PolarHBondContact NH1-O 3.36Å; R446-N474 PolarHBondContact NH1-OD1 3.43Å; R446-N474 VanDerWaalsContact NH2-CG 3.31Å; R446-N474 PolarHBondContact NH2-ND2 2.91Å; R446-N474 PolarHBondContact NH2-OD1 2.97Å; R446-I476 HydrophobicContact CG-CD1 4.07Å; R446-I476 HydrophobicContact CG-CG1 4.35Å
447R94.8Very high95.8Very high166 Ų16632.2 Ų32.263%0.62614%0.141SC*.Iπ-helixtrans-66.3-46.1-177.7-73.2177.3178.1176.31.4112.4E400 L404 E443 A444E400-R447 VanDerWaalsContact CD-NH1 3.31Å; E400-R447 IonicContact OE1-CZ 3.85Å; E400-R447 IonicContact OE1-NE 2.74Å; E400-R447 IonicContact OE1-NH1 3.51Å; E400-R447 PolarHBondContact OE1-NH1 3.28Å; E400-R447 IonicContact OE2-NH1 3.35Å; E400-R447 PolarHBondContact OE2-NH1 2.81Å; L404-R447 HydrophobicContact CD2-CB 4.24Å; E443-R447 WeakPolarHBondContact O-CB 3.34Å; E443-R447 WeakPolarHBondContact O-CG 3.31Å; E443-R447 PolarHBondContact O-N 3.43Å; A444-R447 PolarHBondContact O-N 3.19Å
448V96.6Very high95.8Very high15 Ų1531.7 Ų31.79%0.09114%0.138CC..Iπ-helixtrans-89.4-45.5-172.6-1770000111.9L404 M407 V408 K411 A444L404-V448 HydrophobicContact CD2-CG2 3.58Å; M407-V448 HydrophobicContact CB-CB 4.03Å; M407-V448 HydrophobicContact CB-CG1 3.83Å; M407-V448 HydrophobicContact CB-CG2 4.01Å; V408-V448 HydrophobicContact CG2-CG1 4.11Å; V408-V448 HydrophobicContact CG2-CG2 4.18Å; K411-V448 HydrophobicContact CB-CG1 4.41Å; K411-V448 HydrophobicContact CD-CG1 3.99Å; K411-V448 WeakPolarHBondContact CD-O 3.27Å; K411-V448 WeakPolarHBondContact CE-O 3.41Å; K411-V448 PolarHBondContact NZ-O 3.11Å; A444-V448 PolarHBondContact O-N 3.24Å
449W96Very high95.9Very high9 Ų931.2 Ų31.23%0.03414%0.136CC..Iπ-helixtrans-113-5.9-168.3-69.898.2000114.3F356 P386 M407 N410 K411 A414 V421 W445 I451F356-W449 AromaticContact CZ-CH2 3.94Å; F356-W449 HydrophobicContact CZ-CH2 3.94Å; P386-W449 HydrophobicContact CB-CD2 3.97Å; P386-W449 HydrophobicContact CB-CE3 4.23Å; P386-W449 HydrophobicContact CB-CH2 3.82Å; P386-W449 HydrophobicContact CB-CZ2 3.53Å; P386-W449 HydrophobicContact CB-CZ3 4.16Å; P386-W449 HydrophobicContact CG-CD2 3.67Å; P386-W449 HydrophobicContact CG-CE3 3.88Å; P386-W449 HydrophobicContact CG-CG 4.06Å; P386-W449 HydrophobicContact CG-CH2 4.37Å; P386-W449 HydrophobicContact CG-CZ2 4.2Å; P386-W449 HydrophobicContact CG-CZ3 4.22Å; M407-W449 PolarHBondContact O-NE1 3.38Å; N410-W449 HydrophobicContact CB-CZ2 4.11Å; K411-W449 VanDerWaalsContact CA-CH2 3.4Å; K411-W449 VanDerWaalsContact CA-CZ2 3.44Å; K411-W449 HydrophobicContact CB-CH2 3.68Å; K411-W449 HydrophobicContact CB-CZ2 3.47Å; K411-W449 VanDerWaalsContact CB-CZ2 3.47Å; K411-W449 HydrophobicContact CB-CZ3 4.3Å; K411-W449 HydrophobicContact CG-CE3 4.35Å; K411-W449 HydrophobicContact CG-CH2 3.89Å; K411-W449 HydrophobicContact CG-CZ2 4.09Å; K411-W449 HydrophobicContact CG-CZ3 4.03Å; A414-W449 HydrophobicContact CB-CH2 4.17Å; V421-W449 HydrophobicContact CB-CE3 4.46Å; V421-W449 HydrophobicContact CB-CZ3 4.05Å; V421-W449 HydrophobicContact CG1-CZ3 3.92Å; W445-W449 CarbonylContact O-C 3.28Å; W445-W449 WeakPolarHBondContact O-CA 3.27Å; W445-W449 PolarHBondContact O-N 3.43Å; W445-W449 VanDerWaalsContact O-N 3.08Å; W449-I451 HydrophobicContact CB-CD1 3.49Å; W449-I451 VanDerWaalsContact CB-CD1 3.49Å; W449-I451 HydrophobicContact CB-CG1 3.64Å; W449-I451 HydrophobicContact CG-CD1 4.4Å; W449-I451 PolarHBondContact O-N 2.96Å
450N96.4Very high96Very high109 Ų10929.8 Ų29.858%0.58313%0.129SC*.  trans52.541.1-172.6-168.932.1000112.7W445 R446 R452W445-N450 PolarHBondContact O-N 3.26Å; R446-N450 WeakPolarHBondContact O-CA 3.4Å; R446-N450 PolarHBondContact O-N 3.14Å; N450-R452 PolarHBondContact O-N 2.92Å
451I97.9Very high95.9Very high4 Ų430.2 Ų30.22%0.02113%0.131CC..  trans-64.9134.8-179.4-57.1-52.8000110.7P386 A426 W445 W449 V453 I476P386-I451 HydrophobicContact CG-CD1 4.49Å; A426-I451 HydrophobicContact CB-CD1 3.61Å; A426-I451 HydrophobicContact CB-CG1 3.77Å; A426-I451 HydrophobicContact CB-CG2 4.18Å; W445-I451 HydrophobicContact CB-CB 3.9Å; W445-I451 HydrophobicContact CB-CG1 3.76Å; W445-I451 HydrophobicContact CD2-CG1 4.5Å; W445-I451 HydrophobicContact CG-CB 4.33Å; W445-I451 HydrophobicContact CG-CG1 3.89Å; W445-I451 PolarHBondContact O-N 3.46Å; W449-I451 HydrophobicContact CB-CD1 3.49Å; W449-I451 VanDerWaalsContact CB-CD1 3.49Å; W449-I451 HydrophobicContact CB-CG1 3.64Å; W449-I451 HydrophobicContact CG-CD1 4.4Å; W449-I451 PolarHBondContact O-N 2.96Å; I451-V453 WeakPolarHBondContact CG2-O 3.23Å; I451-I476 HydrophobicContact CB-CD1 4.46Å; I451-I476 HydrophobicContact CG2-CD1 4.34Å; I451-I476 HydrophobicContact CG2-CG2 4.36Å
452R98.3Very high95.7Very high107 Ų10732.3 Ų32.340%0.40414%0.142SC..  trans-120.1-18.3175.2-67-178-72.7178.9-6.4112.5G424 N450 I476 M477 L562G424-R452 PolarHBondContact O-N 3.48Å; N450-R452 PolarHBondContact O-N 2.92Å; R452-I476 WeakPolarHBondContact O-CA 3.41Å; R452-M477 PolarHBondContact O-N 2.87Å; R452-L562 HydrophobicContact CB-CD1 4.01Å; R452-L562 VanDerWaalsContact CZ-CD2 3.45Å; R452-L562 VanDerWaalsContact NH2-CD2 3.26Å
453V98.6Very high95.4Very high1 Ų140.4 Ų40.41%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-133.4142.5180-172.80000110.9G424 Y425 A426 I451 M477 L479 L562 A565G424-V453 PolarHBondContact O-N 3.4Å; Y425-V453 VanDerWaalsContact CA-O 3.31Å; Y425-V453 WeakPolarHBondContact CA-O 3.42Å; Y425-V453 HydrophobicContact CD2-CB 3.88Å; Y425-V453 HydrophobicContact CD2-CG1 3.72Å; Y425-V453 WeakPolarHBondContact CD2-O 3.35Å; Y425-V453 HydrophobicContact CE2-CG1 4.06Å; A426-V453 PolarHBondContact N-O 2.91Å; I451-V453 WeakPolarHBondContact CG2-O 3.23Å; V453-M477 CarbonylContact C-O 3.56Å; V453-M477 VanDerWaalsContact CA-O 3.27Å; V453-M477 WeakPolarHBondContact CA-O 3.42Å; V453-M477 HydrophobicContact CG2-CB 4.3Å; V453-M477 HydrophobicContact CG2-CE 3.92Å; V453-L479 HydrophobicContact CG1-CD1 3.92Å; V453-L479 HydrophobicContact CG1-CG 4.1Å; V453-L562 HydrophobicContact CG2-CB 4.46Å; V453-L562 HydrophobicContact CG2-CD1 3.69Å; V453-A565 HydrophobicContact CB-CB 4.4Å; V453-A565 HydrophobicContact CG1-CB 3.8Å; V453-A565 HydrophobicContact CG2-CB 3.59Å
454T98.6Very high95.3Very high0 Ų040 Ų400%018%0.179CC..EExtended strand (participates in β ladder)trans-142.8176.3165.6-171.80000109.4A426 V434 W445 I476 M477 V478 L479A426-T454 VanDerWaalsContact O-CA 3.28Å; A426-T454 WeakPolarHBondContact O-CA 3.31Å; A426-T454 WeakPolarHBondContact O-CB 3.2Å; A426-T454 PolarHBondContact O-OG1 3.27Å; V434-T454 HydrophobicContact CG1-CG2 3.74Å; W445-T454 HydrophobicContact CH2-CG2 4.27Å; W445-T454 VanDerWaalsContact CH2-OG1 3.27Å; W445-T454 WeakPolarHBondContact CH2-OG1 3.46Å; W445-T454 HydrophobicContact CZ3-CG2 3.86Å; T454-I476 HydrophobicContact CG2-CG2 3.95Å; T454-M477 PolarHBondContact N-O 2.96Å; T454-V478 HydrophobicContact CG2-CB 4.22Å; T454-V478 HydrophobicContact CG2-CG1 4.1Å; T454-V478 HydrophobicContact CG2-CG2 3.75Å; T454-V478 WeakPolarHBondContact O-CA 3.5Å; T454-L479 PolarHBondContact O-N 3.37Å
455S97.9Very high95Very high0 Ų041.4 Ų41.40%019%0.19CC..EExtended strand (participates in β ladder)trans-138153.4175.668.40000111.8Y425 H431 L479 R481Y425-S455 WeakPolarHBondContact OH-CB 3.33Å; Y425-S455 PolarHBondContact OH-OG 3.38Å; H431-S455 PolarHBondContact ND1-O 3.32Å; S455-L479 WeakPolarHBondContact CA-O 3.43Å; S455-L479 WeakPolarHBondContact CB-O 3.3Å; S455-R481 WeakPolarHBondContact OG-CD 3.47Å
456T97.3Very high94.7Very high0 Ų045 Ų450%020%0.204CC..EExtended strand (participates in β ladder)trans-150.1146.8177.5-173.60000111.6V434 E458 V478 L479 R481V434-T456 HydrophobicContact CG1-CG2 4.01Å; T456-E458 WeakPolarHBondContact OG1-CB 3.46Å; T456-E458 PolarHBondContact OG1-N 3.41Å; T456-V478 HydrophobicContact CG2-CG1 3.63Å; T456-L479 PolarHBondContact N-O 2.89Å; T456-R481 PolarHBondContact O-N 3.02Å
457E95.3Very high94.6Very high21 Ų2146.4 Ų46.410%0.09821%0.21CC..SBendtrans-91.1-4.4167.360.3176177.300113.3H431 L462 R468 T483H431-E457 IonicContact CD2-OE1 3.92Å; E457-L462 HydrophobicContact CB-CD1 4.06Å; E457-L462 VanDerWaalsContact CD-CD1 3.49Å; E457-L462 HydrophobicContact CG-CD1 3.61Å; E457-L462 WeakPolarHBondContact O-CA 3.44Å; E457-R468 PolarHBondContact O-NE 3.09Å; E457-R468 IonicContact OE2-NH1 3.28Å; E457-R468 IonicContact OE2-NH2 3.93Å; E457-T483 WeakPolarHBondContact OE2-CG2 3.49Å
458E95.6Very high94.6Very high0 Ų039.1 Ų39.10%018%0.182CC..  trans-90.5-14.2-167.5-59.9-70.8-176.700113.5H431 Y435 T456 P460 H461 R588 H589 I592H431-E458 HydrophobicContact CB-CG 3.98Å; Y435-E458 HydrophobicContact CD1-CB 4.36Å; Y435-E458 WeakPolarHBondContact CD1-O 3.46Å; Y435-E458 WeakPolarHBondContact O-CB 3.4Å; T456-E458 WeakPolarHBondContact OG1-CB 3.46Å; T456-E458 PolarHBondContact OG1-N 3.41Å; E458-P460 CarbonylContact O-C 3.57Å; E458-P460 VanDerWaalsContact O-C 3.23Å; E458-H461 CarbonylContact O-C 3.41Å; E458-H461 WeakPolarHBondContact O-CA 3.24Å; E458-H461 PolarHBondContact O-N 3.15Å; E458-H461 VanDerWaalsContact O-N 3.11Å; E458-R588 IonicContact OE1-CZ 3.02Å; E458-R588 IonicContact OE1-NE 3.68Å; E458-R588 PolarHBondContact OE1-NE 3.4Å; E458-R588 IonicContact OE1-NH2 3.07Å; E458-R588 PolarHBondContact OE1-NH2 3.3Å; E458-R588 WeakPolarHBondContact OE2-CG 3.45Å; E458-H589 PolarHBondContact O-CE1 3.25Å; E458-H589 PolarHBondContact O-NE2 3.2Å; E458-H589 IonicContact OE2-CD2 3.25Å; E458-H589 IonicContact OE2-NE2 2.87Å; E458-I592 HydrophobicContact CG-CD1 3.88Å
459Y96.4Very high94.5Very high2 Ų240.4 Ų40.41%0.00819%0.187CC..SBendtrans-104.9132.2-173.7179.3-104.7000113.9Y435 H461 R468 K469 F471 L579Y435-Y459 HydrophobicContact CD1-CD2 4.06Å; Y435-Y459 AromaticContact CD2-CD2 3.53Å; Y435-Y459 HydrophobicContact CD2-CD2 3.53Å; Y435-Y459 HydrophobicContact CD2-CE2 4.35Å; Y435-Y459 HydrophobicContact CD2-CG 4.23Å; Y435-Y459 AromaticContact CE1-CD2 3.88Å; Y435-Y459 HydrophobicContact CE1-CD2 3.88Å; Y435-Y459 AromaticContact CE2-CD2 3.35Å; Y435-Y459 HydrophobicContact CE2-CD2 3.35Å; Y435-Y459 AromaticContact CE2-CE2 3.83Å; Y435-Y459 HydrophobicContact CE2-CE2 3.83Å; Y435-Y459 HydrophobicContact CE2-CG 4.43Å; Y435-Y459 AromaticContact CG-CD2 3.89Å; Y435-Y459 HydrophobicContact CG-CD2 3.89Å; Y435-Y459 HydrophobicContact CG-CG 4.27Å; Y435-Y459 AromaticContact CZ-CD2 3.52Å; Y459-H461 VanDerWaalsContact C-N 3.28Å; Y459-R468 VanDerWaalsContact O-CA 3.31Å; Y459-R468 WeakPolarHBondContact O-CA 3.45Å; Y459-K469 HydrophobicContact CD1-CG 3.9Å; Y459-K469 VanDerWaalsContact CD1-O 3.28Å; Y459-K469 WeakPolarHBondContact CD1-O 3.3Å; Y459-K469 HydrophobicContact CE1-CB 4.48Å; Y459-K469 HydrophobicContact CE1-CD 3.84Å; Y459-K469 HydrophobicContact CE1-CG 3.57Å; Y459-K469 PolarHBondContact O-N 3.22Å; Y459-F471 AromaticContact CD1-CD1 3.32Å; Y459-F471 HydrophobicContact CD1-CD1 3.32Å; Y459-F471 AromaticContact CD1-CE1 3.8Å; Y459-F471 HydrophobicContact CD1-CE1 3.8Å; Y459-F471 HydrophobicContact CD1-CG 4.32Å; Y459-F471 HydrophobicContact CD2-CD1 4.17Å; Y459-F471 HydrophobicContact CD2-CE1 4.09Å; Y459-F471 HydrophobicContact CE1-CB 3.95Å; Y459-F471 AromaticContact CE1-CD1 3.48Å; Y459-F471 HydrophobicContact CE1-CD1 3.48Å; Y459-F471 VanDerWaalsContact CE1-CD1 3.48Å; Y459-F471 HydrophobicContact CE1-CE1 4.31Å; Y459-F471 HydrophobicContact CE1-CG 4.06Å; Y459-F471 HydrophobicContact CE2-CD1 4.35Å; Y459-F471 AromaticContact CG-CD1 3.67Å; Y459-F471 HydrophobicContact CG-CD1 3.67Å; Y459-F471 AromaticContact CG-CE1 3.65Å; Y459-F471 HydrophobicContact CG-CE1 3.65Å; Y459-L579 PolarHBondContact OH-N 3.49Å
460P92.9Very high94.6Very high10 Ų1040 Ų407%0.06519%0.185CC..SBendcis-74.9-17.7-733.7-35.2000112.5Y435 E458 Y467 Q581 H589Y435-P460 WeakPolarHBondContact CE1-O 3.35Å; E458-P460 CarbonylContact O-C 3.57Å; E458-P460 VanDerWaalsContact O-C 3.23Å; P460-Y467 WeakPolarHBondContact CD-O 3.39Å; P460-Q581 HydrophobicContact CB-CG 3.78Å; P460-H589 PolarHBondContact O-CE1 3.36Å
461H90.1Very high94.7Very high59 Ų5934.8 Ų34.827%0.27316%0.157SC..  trans-148.8156.5175-64.8-76.8000109.7E458 Y459 K463 D586 H589E458-H461 CarbonylContact O-C 3.41Å; E458-H461 WeakPolarHBondContact O-CA 3.24Å; E458-H461 PolarHBondContact O-N 3.15Å; E458-H461 VanDerWaalsContact O-N 3.11Å; Y459-H461 VanDerWaalsContact C-N 3.28Å; H461-K463 VanDerWaalsContact C-N 3.31Å; H461-K463 PolarHBondContact O-N 3.48Å; H461-D586 IonicContact CE1-OD2 2.7Å; H461-D586 IonicContact CG-OD2 3.94Å; H461-D586 IonicContact ND1-OD2 3.16Å; H461-D586 PolarHBondContact ND1-OD2 3.46Å; H461-H589 AromaticContact ND1-CE1 3.72Å
462L90.4Very high94.7Very high43 Ų4336.9 Ų36.923%0.22517%0.168CC..SBendtrans-61.5-39.5175.6-176.166.8000112.3E457 R468 R588E457-L462 HydrophobicContact CB-CD1 4.06Å; E457-L462 VanDerWaalsContact CD-CD1 3.49Å; E457-L462 HydrophobicContact CG-CD1 3.61Å; E457-L462 WeakPolarHBondContact O-CA 3.44Å; L462-R468 PolarHBondContact O-NE 3.49Å; L462-R468 PolarHBondContact O-NH2 3.29Å; L462-R588 HydrophobicContact CD2-CG 4.48Å
463K89.9Confident94.6Very high170 Ų17032 Ų3274%0.73915%0.15SC*.SBendtrans-134146.9-179.3-67.4-171.6179.2-175.90111.3H461H461-K463 VanDerWaalsContact C-N 3.31Å; H461-K463 PolarHBondContact O-N 3.48Å
464P91.3Very high94.4Very high41 Ų4134.2 Ų34.227%0.26616%0.162SC..SBendcis-74.9147.8-6.732.5-35.5000112.3R466 Y467P464-R466 HydrophobicContact CB-CG 4.25Å; P464-R466 VanDerWaalsContact CB-NH1 3.32Å; P464-R466 HydrophobicContact CG-CG 4.34Å; P464-R466 PolarHBondContact O-N 3.4Å; P464-Y467 HydrophobicContact CG-CD1 4.42Å; P464-Y467 HydrophobicContact CG-CD2 3.41Å; P464-Y467 VanDerWaalsContact CG-CD2 3.41Å; P464-Y467 HydrophobicContact CG-CE2 3.52Å; P464-Y467 HydrophobicContact CG-CG 3.88Å; P464-Y467 PolarHBondContact O-N 3.23Å; P464-Y467 VanDerWaalsContact O-N 3.09Å
465A90Very high94.2Very high29 Ų2940.8 Ų40.824%0.2420%0.197CC..G310 helixtrans-60-31.3-174.300000114Y467 R468A465-Y467 PolarHBondContact O-N 3.02Å; A465-Y467 VanDerWaalsContact O-N 3.12Å; A465-R468 VanDerWaalsContact O-CB 3.23Å; A465-R468 WeakPolarHBondContact O-CB 3.22Å; A465-R468 VanDerWaalsContact O-CG 3.23Å; A465-R468 WeakPolarHBondContact O-CG 3.44Å; A465-R468 PolarHBondContact O-N 3.44Å
466R90.9Very high94.2Very high80 Ų8040.8 Ų40.830%0.30220%0.197SC..G310 helixtrans-63.3-13.5177.167.7-168.4-177.6-94.9-1.9115.1E103 S104 P464E103-R466 IonicContact OE2-CZ 2.76Å; E103-R466 IonicContact OE2-NE 3.54Å; E103-R466 PolarHBondContact OE2-NE 3.42Å; E103-R466 IonicContact OE2-NH2 3.38Å; E103-R466 PolarHBondContact OE2-NH2 3.31Å; S104-R466 VanDerWaalsContact OG-CB 3.32Å; S104-R466 WeakPolarHBondContact OG-CB 3.41Å; P464-R466 HydrophobicContact CB-CG 4.25Å; P464-R466 VanDerWaalsContact CB-NH1 3.32Å; P464-R466 HydrophobicContact CG-CG 4.34Å; P464-R466 PolarHBondContact O-N 3.4Å
467Y91.9Very high94.3Very high108 Ų10841.8 Ų41.842%0.42420%0.202SC..G310 helixtrans-92.9-5.6173.9-65.4-14.7000113.4E103 P460 P464 A465 K469E103-Y467 HydrophobicContact CB-CE1 4.38Å; E103-Y467 HydrophobicContact CG-CE1 4.26Å; E103-Y467 PolarHBondContact OE1-OH 3.23Å; E103-Y467 VanDerWaalsContact OE1-OH 3.05Å; E103-Y467 WeakPolarHBondContact OE2-CE1 3.25Å; E103-Y467 PolarHBondContact OE2-OH 3.43Å; P460-Y467 WeakPolarHBondContact CD-O 3.39Å; P464-Y467 HydrophobicContact CG-CD1 4.42Å; P464-Y467 HydrophobicContact CG-CD2 3.41Å; P464-Y467 VanDerWaalsContact CG-CD2 3.41Å; P464-Y467 HydrophobicContact CG-CE2 3.52Å; P464-Y467 HydrophobicContact CG-CG 3.88Å; P464-Y467 PolarHBondContact O-N 3.23Å; P464-Y467 VanDerWaalsContact O-N 3.09Å; A465-Y467 PolarHBondContact O-N 3.02Å; A465-Y467 VanDerWaalsContact O-N 3.12Å; Y467-K469 PolarHBondContact O-N 2.86Å
468R94.3Very high94.4Very high13 Ų1340.8 Ų40.85%0.04920%0.197CC..  trans-63.3137.2177.8-65.1172.4-173.2178.7-0.1109.6E457 Y459 L462 A465 P480 R481E457-R468 PolarHBondContact O-NE 3.09Å; E457-R468 IonicContact OE2-NH1 3.28Å; E457-R468 IonicContact OE2-NH2 3.93Å; Y459-R468 VanDerWaalsContact O-CA 3.31Å; Y459-R468 WeakPolarHBondContact O-CA 3.45Å; L462-R468 PolarHBondContact O-NE 3.49Å; L462-R468 PolarHBondContact O-NH2 3.29Å; A465-R468 VanDerWaalsContact O-CB 3.23Å; A465-R468 WeakPolarHBondContact O-CB 3.22Å; A465-R468 VanDerWaalsContact O-CG 3.23Å; A465-R468 WeakPolarHBondContact O-CG 3.44Å; A465-R468 PolarHBondContact O-N 3.44Å; R468-P480 HydrophobicContact CB-CB 3.89Å; R468-R481 WeakPolarHBondContact CD-O 3.03Å; R468-R481 PolarHBondContact NH1-O 3.27Å
469K95.3Very high94.6Very high42 Ų4240.8 Ų40.818%0.18320%0.197CC..  trans-142.6165.7-176.339.3171.8-178.7-163.60110.4Y459 Y467 Y568 Q575Y459-K469 HydrophobicContact CD1-CG 3.9Å; Y459-K469 VanDerWaalsContact CD1-O 3.28Å; Y459-K469 WeakPolarHBondContact CD1-O 3.3Å; Y459-K469 HydrophobicContact CE1-CB 4.48Å; Y459-K469 HydrophobicContact CE1-CD 3.84Å; Y459-K469 HydrophobicContact CE1-CG 3.57Å; Y459-K469 PolarHBondContact O-N 3.22Å; Y467-K469 PolarHBondContact O-N 2.86Å; K469-Y568 WeakPolarHBondContact CA-OH 3.17Å; K469-Q575 HydrophobicContact CB-CG 4.48Å
470G97.1Very high94.6Very high0 Ų041 Ų410%020%0.199CC..  trans-83.9169169.800000112V478 Y568 Q575G470-V478 CarbonylContact C-O 3.53Å; G470-V478 WeakPolarHBondContact CA-O 3.32Å; G470-Y568 PolarHBondContact N-OH 3.13Å; G470-Q575 CarbonylContact C-O 3.49Å
471F98.1Very high94.7Very high0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-156.9164.4164.366.1-80.5000110.8Y435 V437 Y459 H473 V478 F569 Q575 P578 W580Y435-F471 HydrophobicContact CD2-CE1 4.37Å; Y435-F471 HydrophobicContact CD2-CZ 4.2Å; V437-F471 HydrophobicContact CG2-CE2 4.17Å; V437-F471 HydrophobicContact CG2-CZ 4.27Å; Y459-F471 AromaticContact CD1-CD1 3.32Å; Y459-F471 HydrophobicContact CD1-CD1 3.32Å; Y459-F471 AromaticContact CD1-CE1 3.8Å; Y459-F471 HydrophobicContact CD1-CE1 3.8Å; Y459-F471 HydrophobicContact CD1-CG 4.32Å; Y459-F471 HydrophobicContact CD2-CD1 4.17Å; Y459-F471 HydrophobicContact CD2-CE1 4.09Å; Y459-F471 HydrophobicContact CE1-CB 3.95Å; Y459-F471 AromaticContact CE1-CD1 3.48Å; Y459-F471 HydrophobicContact CE1-CD1 3.48Å; Y459-F471 VanDerWaalsContact CE1-CD1 3.48Å; Y459-F471 HydrophobicContact CE1-CE1 4.31Å; Y459-F471 HydrophobicContact CE1-CG 4.06Å; Y459-F471 HydrophobicContact CE2-CD1 4.35Å; Y459-F471 AromaticContact CG-CD1 3.67Å; Y459-F471 HydrophobicContact CG-CD1 3.67Å; Y459-F471 AromaticContact CG-CE1 3.65Å; Y459-F471 HydrophobicContact CG-CE1 3.65Å; F471-H473 HydrophobicContact CD2-CB 3.92Å; F471-H473 HydrophobicContact CE2-CB 3.7Å; F471-V478 HydrophobicContact CD1-CB 3.83Å; F471-V478 HydrophobicContact CD1-CG1 4.08Å; F471-V478 HydrophobicContact CD1-CG2 4.31Å; F471-V478 HydrophobicContact CD2-CB 4.49Å; F471-V478 HydrophobicContact CD2-CG2 4.17Å; F471-V478 HydrophobicContact CE1-CB 3.67Å; F471-V478 HydrophobicContact CE1-CG1 3.55Å; F471-V478 HydrophobicContact CE1-CG2 3.92Å; F471-V478 HydrophobicContact CE2-CB 4.33Å; F471-V478 HydrophobicContact CE2-CG2 3.75Å; F471-V478 HydrophobicContact CG-CB 4.26Å; F471-V478 HydrophobicContact CG-CG2 4.45Å; F471-V478 HydrophobicContact CZ-CB 3.95Å; F471-V478 HydrophobicContact CZ-CG1 4.01Å; F471-V478 HydrophobicContact CZ-CG2 3.62Å; F471-V478 PolarHBondContact N-O 3.42Å; F471-V478 WeakPolarHBondContact O-CA 3.43Å; F471-V478 WeakPolarHBondContact O-CB 3.48Å; F471-V478 PolarHBondContact O-N 3.28Å; F471-F569 WeakPolarHBondContact O-CZ 3.31Å; F471-Q575 VanDerWaalsContact CA-O 3.3Å; F471-Q575 WeakPolarHBondContact CA-O 3.32Å; F471-P578 HydrophobicContact CB-CB 4.06Å; F471-P578 HydrophobicContact CD2-CB 3.99Å; F471-P578 HydrophobicContact CG-CB 4.26Å; F471-W580 HydrophobicContact CD2-CH2 4.19Å; F471-W580 HydrophobicContact CD2-CZ3 4.24Å; F471-W580 HydrophobicContact CE2-CH2 4.05Å; F471-W580 AromaticContact CE2-CZ3 3.96Å; F471-W580 HydrophobicContact CE2-CZ3 3.96Å
472I98Very high95Very high48 Ų4838.2 Ų38.225%0.24619%0.185CC..EExtended strand (participates in β ladder)trans-112.9125.7172.9-56.1-179000108.6I476 M477 F569 R576I472-I476 WeakPolarHBondContact CA-O 3.44Å; I472-M477 HydrophobicContact CD1-CG 4.06Å; I472-M477 HydrophobicContact CG1-CG 4.06Å; I472-F569 HydrophobicContact CD1-CD1 4.4Å; I472-F569 HydrophobicContact CD1-CD2 4.26Å; I472-F569 HydrophobicContact CD1-CE1 4.47Å; I472-F569 HydrophobicContact CD1-CE2 4.35Å; I472-F569 HydrophobicContact CD1-CG 4.28Å; I472-F569 HydrophobicContact CD1-CZ 4.45Å; I472-F569 HydrophobicContact CG1-CD1 4.42Å; I472-F569 HydrophobicContact CG1-CD2 4.35Å; I472-F569 HydrophobicContact CG1-CE1 4Å; I472-F569 HydrophobicContact CG1-CE2 3.95Å; I472-F569 HydrophobicContact CG1-CZ 3.75Å; I472-R576 HydrophobicContact CD1-CB 4.12Å; I472-R576 HydrophobicContact CD1-CG 3.92Å; I472-R576 HydrophobicContact CG1-CB 4.45Å; I472-R576 PolarHBondContact N-O 3.47Å
473H96.9Very high95Very high6 Ų638.4 Ų38.43%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-137133.7174-178.864.6000110.4Y442 F471 N475 I476 W580 H650Y442-H473 AromaticContact CD1-CD2 3.83Å; Y442-H473 HydrophobicContact CE1-CB 4.13Å; Y442-H473 AromaticContact CE1-CD2 3.84Å; F471-H473 HydrophobicContact CD2-CB 3.92Å; F471-H473 HydrophobicContact CE2-CB 3.7Å; H473-N475 PolarHBondContact O-N 3.47Å; H473-N475 VanDerWaalsContact O-N 3.15Å; H473-I476 PolarHBondContact N-O 2.97Å; H473-I476 PolarHBondContact O-N 3.35Å; H473-W580 HydrophobicContact CB-CH2 4.19Å; H473-W580 AromaticContact ND1-CH2 3.87Å; H473-W580 AromaticContact ND1-CZ2 3.92Å; H473-H650 PolarHBondContact CE1-O 3.15Å; H473-H650 VanDerWaalsContact CE1-O 3.28Å; H473-H650 PolarHBondContact ND1-O 2.89Å
474N94Very high95.1Very high47 Ų4730.4 Ų30.425%0.25115%0.154SC..THydrogen-bonded Turntrans53.436.7177.7-140.64.3000113.7Y442 R446 I476Y442-N474 HydrophobicContact CD1-CB 4.17Å; R446-N474 VanDerWaalsContact CZ-ND2 3.3Å; R446-N474 VanDerWaalsContact CZ-OD1 3.28Å; R446-N474 PolarHBondContact NH1-O 3.36Å; R446-N474 PolarHBondContact NH1-OD1 3.43Å; R446-N474 VanDerWaalsContact NH2-CG 3.31Å; R446-N474 PolarHBondContact NH2-ND2 2.91Å; R446-N474 PolarHBondContact NH2-OD1 2.97Å; N474-I476 PolarHBondContact O-N 3.05Å
475N94.6Very high95Very high138 Ų13829.5 Ų29.574%0.73815%0.151SC*.THydrogen-bonded Turntrans6315.4-173.8-57.4-32.5000115.7H473H473-N475 PolarHBondContact O-N 3.47Å; H473-N475 VanDerWaalsContact O-N 3.15Å
476I98.3Very high95Very high0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-102.5127.1170-55.6-171.5000108.7Y442 W445 R446 I451 R452 T454 I472 H473 N474Y442-I476 HydrophobicContact CD1-CB 3.97Å; Y442-I476 HydrophobicContact CD1-CD1 3.67Å; Y442-I476 HydrophobicContact CD1-CG1 4.04Å; Y442-I476 HydrophobicContact CE1-CB 4.02Å; Y442-I476 HydrophobicContact CE1-CD1 4.39Å; Y442-I476 HydrophobicContact CE1-CG2 4.38Å; Y442-I476 HydrophobicContact CG-CD1 4.3Å; W445-I476 HydrophobicContact CB-CD1 4.41Å; W445-I476 HydrophobicContact CE3-CD1 4.16Å; R446-I476 HydrophobicContact CG-CD1 4.07Å; R446-I476 HydrophobicContact CG-CG1 4.35Å; I451-I476 HydrophobicContact CB-CD1 4.46Å; I451-I476 HydrophobicContact CG2-CD1 4.34Å; I451-I476 HydrophobicContact CG2-CG2 4.36Å; R452-I476 WeakPolarHBondContact O-CA 3.41Å; T454-I476 HydrophobicContact CG2-CG2 3.95Å; I472-I476 WeakPolarHBondContact CA-O 3.44Å; H473-I476 PolarHBondContact N-O 2.97Å; H473-I476 PolarHBondContact O-N 3.35Å; N474-I476 PolarHBondContact O-N 3.05Å
477M98.6Very high94.7Very high20 Ų2029.3 Ų29.310%0.09915%0.148CC..EExtended strand (participates in β ladder)trans-80.5116.1173.3-77-177.9-69.200109.6R452 V453 T454 I472 L562 A565 H566 F569R452-M477 PolarHBondContact O-N 2.87Å; V453-M477 CarbonylContact C-O 3.56Å; V453-M477 VanDerWaalsContact CA-O 3.27Å; V453-M477 WeakPolarHBondContact CA-O 3.42Å; V453-M477 HydrophobicContact CG2-CB 4.3Å; V453-M477 HydrophobicContact CG2-CE 3.92Å; T454-M477 PolarHBondContact N-O 2.96Å; I472-M477 HydrophobicContact CD1-CG 4.06Å; I472-M477 HydrophobicContact CG1-CG 4.06Å; M477-L562 HydrophobicContact CE-CD1 3.88Å; M477-A565 HydrophobicContact CB-CB 4.05Å; M477-A565 HydrophobicContact CE-CB 3.76Å; M477-A565 HydrophobicContact SD-CB 3.79Å; M477-H566 VanDerWaalsContact CE-CE1 3.46Å; M477-H566 WeakPolarHBondContact CE-CE1 3.3Å; M477-F569 HydrophobicContact CB-CD2 4.26Å; M477-F569 HydrophobicContact CB-CE2 3.68Å; M477-F569 HydrophobicContact CG-CD2 3.84Å; M477-F569 HydrophobicContact CG-CE2 3.68Å; M477-F569 HydrophobicContact SD-CD2 3.76Å; M477-F569 HydrophobicContact SD-CE2 4.18Å
478V98.6Very high94.1Very high0 Ų028.1 Ų28.10%015%0.152CC..EExtended strand (participates in β ladder)trans-99.5122.7177-172.30000108.7V434 Y442 T454 T456 G470 F471V434-V478 HydrophobicContact CG1-CG1 3.79Å; Y442-V478 HydrophobicContact CE1-CG2 4.32Å; Y442-V478 WeakPolarHBondContact OH-CG2 3.29Å; T454-V478 HydrophobicContact CG2-CB 4.22Å; T454-V478 HydrophobicContact CG2-CG1 4.1Å; T454-V478 HydrophobicContact CG2-CG2 3.75Å; T454-V478 WeakPolarHBondContact O-CA 3.5Å; T456-V478 HydrophobicContact CG2-CG1 3.63Å; G470-V478 CarbonylContact C-O 3.53Å; G470-V478 WeakPolarHBondContact CA-O 3.32Å; F471-V478 HydrophobicContact CD1-CB 3.83Å; F471-V478 HydrophobicContact CD1-CG1 4.08Å; F471-V478 HydrophobicContact CD1-CG2 4.31Å; F471-V478 HydrophobicContact CD2-CB 4.49Å; F471-V478 HydrophobicContact CD2-CG2 4.17Å; F471-V478 HydrophobicContact CE1-CB 3.67Å; F471-V478 HydrophobicContact CE1-CG1 3.55Å; F471-V478 HydrophobicContact CE1-CG2 3.92Å; F471-V478 HydrophobicContact CE2-CB 4.33Å; F471-V478 HydrophobicContact CE2-CG2 3.75Å; F471-V478 HydrophobicContact CG-CB 4.26Å; F471-V478 HydrophobicContact CG-CG2 4.45Å; F471-V478 HydrophobicContact CZ-CB 3.95Å; F471-V478 HydrophobicContact CZ-CG1 4.01Å; F471-V478 HydrophobicContact CZ-CG2 3.62Å; F471-V478 PolarHBondContact N-O 3.42Å; F471-V478 WeakPolarHBondContact O-CA 3.43Å; F471-V478 WeakPolarHBondContact O-CB 3.48Å; F471-V478 PolarHBondContact O-N 3.28Å
479L98.3Very high93.3Very high0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-102146.3179.8-56.4-177.7000111.9V453 T454 S455 T456 R481 I523 A565 Y568 F569V453-L479 HydrophobicContact CG1-CD1 3.92Å; V453-L479 HydrophobicContact CG1-CG 4.1Å; T454-L479 PolarHBondContact O-N 3.37Å; S455-L479 WeakPolarHBondContact CA-O 3.43Å; S455-L479 WeakPolarHBondContact CB-O 3.3Å; T456-L479 PolarHBondContact N-O 2.89Å; L479-R481 PolarHBondContact O-N 3.21Å; L479-I523 HydrophobicContact CB-CD1 3.56Å; L479-I523 HydrophobicContact CD1-CD1 3.59Å; L479-I523 HydrophobicContact CG-CD1 4.24Å; L479-A565 HydrophobicContact CD1-CB 3.87Å; L479-A565 HydrophobicContact CD2-CB 3.96Å; L479-A565 HydrophobicContact CG-CB 4.21Å; L479-Y568 HydrophobicContact CD2-CD1 3.9Å; L479-Y568 HydrophobicContact CD2-CG 3.8Å; L479-F569 HydrophobicContact CD2-CE2 3.95Å
480P96.9Very high92.3Very high7 Ų732 Ų325%0.04517%0.173CC..EExtended strand (participates in β ladder)trans-71.9128.1174.730.5-33.7000110.5R468 Y568R468-P480 HydrophobicContact CB-CB 3.89Å; P480-Y568 HydrophobicContact CG-CE2 3.59Å; P480-Y568 WeakPolarHBondContact CG-OH 3.28Å
481R95.6Very high91.3Very high1 Ų132.8 Ų32.80%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-100.4146.1176.9-154.1173-172.8-174.9-19.9110.8D315 D317 V427 H431 S455 T456 R468 L479 I523 M525D315-R481 IonicContact OD2-CZ 3.19Å; D315-R481 IonicContact OD2-NE 3.9Å; D315-R481 IonicContact OD2-NH2 2.67Å; D317-R481 VanDerWaalsContact CG-NH2 3.27Å; D317-R481 IonicContact OD1-CZ 3.05Å; D317-R481 IonicContact OD1-NH1 3.31Å; D317-R481 PolarHBondContact OD1-NH1 3.18Å; D317-R481 IonicContact OD1-NH2 2.74Å; D317-R481 PolarHBondContact OD1-NH2 2.9Å; D317-R481 IonicContact OD2-CZ 2.77Å; D317-R481 IonicContact OD2-NH1 2.72Å; D317-R481 PolarHBondContact OD2-NH1 2.9Å; D317-R481 IonicContact OD2-NH2 2.74Å; D317-R481 PolarHBondContact OD2-NH2 3.12Å; V427-R481 VanDerWaalsContact CG1-NH1 3.25Å; H431-R481 PolarHBondContact CE1-NH1 3.35Å; S455-R481 WeakPolarHBondContact OG-CD 3.47Å; T456-R481 PolarHBondContact O-N 3.02Å; R468-R481 WeakPolarHBondContact CD-O 3.03Å; R468-R481 PolarHBondContact NH1-O 3.27Å; L479-R481 PolarHBondContact O-N 3.21Å; R481-I523 HydrophobicContact CG-CB 4.25Å; R481-I523 HydrophobicContact CG-CG2 3.97Å; R481-I523 WeakPolarHBondContact CG-O 3.5Å; R481-M525 HydrophobicContact CG-CB 4.25Å
482Q95Very high90.6Very high9 Ų937.1 Ų37.14%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-112.9146-176.3-49-52.6-6.300111.9T515 I523 F524 M525Q482-T515 HydrophobicContact CB-CG2 4.16Å; Q482-T515 HydrophobicContact CG-CG2 4.02Å; Q482-I523 PolarHBondContact N-O 3.4Å; Q482-F524 HydrophobicContact CB-CD1 3.94Å; Q482-F524 HydrophobicContact CB-CE1 3.94Å; Q482-F524 WeakPolarHBondContact O-CA 3.43Å; Q482-M525 PolarHBondContact O-N 3.32Å
483T92.2Very high90Very high47 Ų4738 Ų3829%0.28820%0.195SC..  trans-83.9150.1170.550.10000110.1E457E457-T483 WeakPolarHBondContact OE2-CG2 3.49Å
484C92.2Very high89.5Confident3 Ų346.6 Ų46.62%0.0223%0.232CC..  trans-120.48.8-179.4620000114.5L486 L512 F524 M525 F541C484-L486 PolarHBondContact O-N 3.46Å; C484-L512 HydrophobicContact CB-CD1 4.02Å; C484-L512 HydrophobicContact CB-CD2 4.48Å; C484-F524 HydrophobicContact CB-CB 4.49Å; C484-F524 HydrophobicContact CB-CD1 3.82Å; C484-F524 HydrophobicContact CB-CE1 4.48Å; C484-F524 HydrophobicContact CB-CG 4.4Å; C484-M525 PolarHBondContact SG-O 2.8Å; C484-F541 HydrophobicContact CB-CZ 4.29Å
485G88.3Confident89.2Confident21 Ų2150.9 Ų50.922%0.21625%0.251CS..SBendtrans80.2-3.1-174.800000114.2F487 Y496G485-F487 WeakPolarHBondContact O-CD2 3.28Å; G485-F487 VanDerWaalsContact O-CE2 3.29Å; G485-F487 WeakPolarHBondContact O-CE2 3.21Å; G485-Y496 WeakPolarHBondContact O-CE2 3.39Å; G485-Y496 PolarHBondContact O-OH 3.06Å
486L89.9Confident88.9Confident18 Ų1845.3 Ų45.39%0.09422%0.22CC..  trans-89.4138.3171.2-54.7179.1000109.9C484 L503 T526 N530 L536 T540C484-L486 PolarHBondContact O-N 3.46Å; L486-L503 HydrophobicContact CD2-CD1 4.22Å; L486-T526 HydrophobicContact CD1-CG2 4.06Å; L486-N530 HydrophobicContact CD1-CB 4.37Å; L486-L536 HydrophobicContact CD2-CB 3.99Å; L486-T540 HydrophobicContact CD1-CG2 4.49Å
487F84.9Confident88.3Confident88 Ų8848.4 Ų48.439%0.38624%0.239SC..  trans-102.2163.9-175.6-58.4-99.6000110.9G485 H489 I491 Y496 P497 N530G485-F487 WeakPolarHBondContact O-CD2 3.28Å; G485-F487 VanDerWaalsContact O-CE2 3.29Å; G485-F487 WeakPolarHBondContact O-CE2 3.21Å; F487-H489 VanDerWaalsContact C-N 3.34Å; F487-H489 PolarHBondContact O-N 2.87Å; F487-I491 HydrophobicContact CB-CD1 3.52Å; F487-I491 HydrophobicContact CD2-CD1 3.18Å; F487-I491 HydrophobicContact CE2-CD1 4.07Å; F487-I491 HydrophobicContact CG-CD1 3.57Å; F487-Y496 HydrophobicContact CE2-CE2 4.38Å; F487-P497 HydrophobicContact CD2-CG 4.36Å; F487-P497 HydrophobicContact CE2-CB 4.4Å; F487-P497 HydrophobicContact CE2-CG 3.69Å; F487-P497 HydrophobicContact CZ-CB 4.39Å; F487-P497 HydrophobicContact CZ-CG 3.93Å; F487-N530 PolarHBondContact O-ND2 3.01Å
488T78.8Confident87.7Confident82 Ų8250.9 Ų50.950%0.50327%0.27SS..SBendtrans-68.6-29.8-176.554.70000113.7H527 S529T488-H527 WeakPolarHBondContact CG2-CE1 3.37Å; T488-H527 WeakPolarHBondContact CG2-NE2 3.31Å; T488-S529 PolarHBondContact O-OG 2.87Å
489H77.8Confident87.2Confident110 Ų11051.9 Ų51.951%0.50928%0.281SS..SBendtrans-88153.3176.160.8-79.6000110.8F487 I491F487-H489 VanDerWaalsContact C-N 3.34Å; F487-H489 PolarHBondContact O-N 2.87Å; H489-I491 WeakPolarHBondContact NE2-CG1 3.42Å; H489-I491 PolarHBondContact O-N 2.88Å
490T74.5Confident86.8Confident27 Ų2753.5 Ų53.517%0.16629%0.291CS..  trans-58.7125.2173.2-540000109.6T326 Y492 N533T326-T490 WeakPolarHBondContact CB-OG1 3.48Å; T326-T490 VanDerWaalsContact CG2-OG1 3.31Å; T326-T490 WeakPolarHBondContact CG2-OG1 3.38Å; T490-Y492 HydrophobicContact CG2-CE2 4.49Å; T490-N533 HydrophobicContact CG2-CB 4.29Å
491I75.2Confident86.5Confident17 Ų1761.3 Ų61.39%0.08732%0.324CS..  trans-122.9123.1173.6-70.3172.7000105.8F487 H489 Y496 P497 L536F487-I491 HydrophobicContact CB-CD1 3.52Å; F487-I491 HydrophobicContact CD2-CD1 3.18Å; F487-I491 HydrophobicContact CE2-CD1 4.07Å; F487-I491 HydrophobicContact CG-CD1 3.57Å; H489-I491 WeakPolarHBondContact NE2-CG1 3.42Å; H489-I491 PolarHBondContact O-N 2.88Å; I491-Y496 HydrophobicContact CG2-CD2 4.16Å; I491-P497 HydrophobicContact CD1-CG 4.35Å; I491-L536 HydrophobicContact CB-CD1 4.37Å; I491-L536 HydrophobicContact CG2-CD1 4.19Å; I491-L536 WeakPolarHBondContact O-CD1 3.25Å
492Y84.8Confident86.3Confident90 Ų9065.3 Ų65.335%0.35334%0.343SS..  trans-74.4148.2170.2-64.4-82.4000109.5T490 K494 E495 Y496 N533 D534T490-Y492 HydrophobicContact CG2-CE2 4.49Å; Y492-K494 PolarHBondContact O-N 2.55Å; Y492-K494 VanDerWaalsContact O-N 3.12Å; Y492-E495 WeakPolarHBondContact CD2-OE2 3.4Å; Y492-E495 CarbonylContact O-C 3.48Å; Y492-E495 WeakPolarHBondContact O-CA 3.31Å; Y492-E495 PolarHBondContact O-N 2.78Å; Y492-Y496 PolarHBondContact O-N 3.37Å; Y492-Y496 VanDerWaalsContact O-N 3.12Å; Y492-N533 HydrophobicContact CE1-CB 3.97Å; Y492-D534 WeakPolarHBondContact CA-OD2 3.32Å
493Y84.8Confident86.2Confident68 Ų6864.9 Ų64.927%0.26734%0.341SS..G310 helixtrans-52.8-40.1-176.9-176.2-114.6000112.4E495 P500 L503 D504 D534 L536 Y539Y493-E495 VanDerWaalsContact C-N 3.28Å; Y493-E495 PolarHBondContact O-N 3.15Å; Y493-P500 HydrophobicContact CD1-CB 3.78Å; Y493-P500 HydrophobicContact CD1-CG 4.18Å; Y493-P500 HydrophobicContact CD2-CB 3.96Å; Y493-P500 HydrophobicContact CE1-CB 3.34Å; Y493-P500 HydrophobicContact CE1-CG 3.96Å; Y493-P500 HydrophobicContact CE2-CB 3.53Å; Y493-P500 HydrophobicContact CG-CB 4.07Å; Y493-P500 WeakPolarHBondContact O-CB 3.44Å; Y493-P500 WeakPolarHBondContact O-CD 3.44Å; Y493-P500 WeakPolarHBondContact O-CG 3.43Å; Y493-L503 HydrophobicContact CD2-CD2 4.48Å; Y493-L503 HydrophobicContact CE2-CD2 4.4Å; Y493-D504 PolarHBondContact OH-OD2 2.84Å; Y493-D534 PolarHBondContact N-OD2 2.71Å; Y493-L536 HydrophobicContact CD2-CD2 3.73Å; Y493-L536 HydrophobicContact CG-CD2 4.26Å; Y493-Y539 HydrophobicContact CE2-CE1 4.11Å
494K86.8Confident86.2Confident185 Ų18564.3 Ų64.380%0.80434%0.336SS*.G310 helixtrans-70.6-22.9179-67.1-177.8179.7175.30113.7Y492Y492-K494 PolarHBondContact O-N 2.55Å; Y492-K494 VanDerWaalsContact O-N 3.12Å
495E86.4Confident86.3Confident137 Ų13770 Ų7064%0.6436%0.361SS*.G310 helixtrans-103.84.5-175.6-60.8178.9172.500112.3Y492 Y493Y492-E495 WeakPolarHBondContact CD2-OE2 3.4Å; Y492-E495 CarbonylContact O-C 3.48Å; Y492-E495 WeakPolarHBondContact O-CA 3.31Å; Y492-E495 PolarHBondContact O-N 2.78Å; Y493-E495 VanDerWaalsContact C-N 3.28Å; Y493-E495 PolarHBondContact O-N 3.15Å
496Y89.3Confident86.6Confident22 Ų2269.8 Ų69.89%0.08636%0.356CS..SBendtrans-52134.5177.4-171.9-89.5000110.8G485 F487 I491 Y492 G498 G499 E502 L503 L536G485-Y496 WeakPolarHBondContact O-CE2 3.39Å; G485-Y496 PolarHBondContact O-OH 3.06Å; F487-Y496 HydrophobicContact CE2-CE2 4.38Å; I491-Y496 HydrophobicContact CG2-CD2 4.16Å; Y492-Y496 PolarHBondContact O-N 3.37Å; Y492-Y496 VanDerWaalsContact O-N 3.12Å; Y496-G498 PolarHBondContact O-N 3.07Å; Y496-G498 VanDerWaalsContact O-N 3.14Å; Y496-G499 WeakPolarHBondContact CD1-O 3.36Å; Y496-G499 VanDerWaalsContact O-CA 3.26Å; Y496-G499 WeakPolarHBondContact O-CA 3.46Å; Y496-G499 PolarHBondContact O-N 3.27Å; Y496-E502 HydrophobicContact CD1-CB 4.46Å; Y496-E502 HydrophobicContact CE1-CB 4.18Å; Y496-L503 HydrophobicContact CD1-CB 4.08Å; Y496-L503 HydrophobicContact CD2-CB 4.24Å; Y496-L503 HydrophobicContact CD2-CD2 4.3Å; Y496-L503 HydrophobicContact CE1-CB 3.89Å; Y496-L503 HydrophobicContact CE2-CB 4.04Å; Y496-L503 HydrophobicContact CE2-CD1 4.01Å; Y496-L503 HydrophobicContact CE2-CD2 4.29Å; Y496-L503 HydrophobicContact CE2-CG 4.34Å; Y496-L503 HydrophobicContact CG-CB 4.25Å; Y496-L536 HydrophobicContact CD2-CD1 4.44Å
497P85.8Confident86.9Confident64 Ų6469 Ų6942%0.41635%0.352SS..THydrogen-bonded Turntrans-56.2119.6-179.7-29.236.9000112.3F487 I491 G499F487-P497 HydrophobicContact CD2-CG 4.36Å; F487-P497 HydrophobicContact CE2-CB 4.4Å; F487-P497 HydrophobicContact CE2-CG 3.69Å; F487-P497 HydrophobicContact CZ-CB 4.39Å; F487-P497 HydrophobicContact CZ-CG 3.93Å; I491-P497 HydrophobicContact CD1-CG 4.35Å; P497-G499 VanDerWaalsContact C-N 3.31Å
498G85.3Confident87.4Confident72 Ų7270.7 Ų70.774%0.74236%0.355SS*.THydrogen-bonded Turntrans84.61.1-172.900000114.8Y496 E502Y496-G498 PolarHBondContact O-N 3.07Å; Y496-G498 VanDerWaalsContact O-N 3.14Å; G498-E502 WeakPolarHBondContact O-CG 3.46Å
499G89Confident88Confident22 Ų2266.9 Ų66.923%0.22733%0.333CS..  trans87.2163.2-18000000113.4Y496 P497 K501 E502Y496-G499 WeakPolarHBondContact CD1-O 3.36Å; Y496-G499 VanDerWaalsContact O-CA 3.26Å; Y496-G499 WeakPolarHBondContact O-CA 3.46Å; Y496-G499 PolarHBondContact O-N 3.27Å; P497-G499 VanDerWaalsContact C-N 3.31Å; G499-K501 PolarHBondContact O-N 2.88Å; G499-E502 PolarHBondContact O-N 3.13Å
500P88.9Confident88.8Confident33 Ų3362.5 Ų62.521%0.21432%0.317CS..Hα-helixtrans-58.2-25.7-175.85.8-16.2000115Y493 E502 L503 D504Y493-P500 HydrophobicContact CD1-CB 3.78Å; Y493-P500 HydrophobicContact CD1-CG 4.18Å; Y493-P500 HydrophobicContact CD2-CB 3.96Å; Y493-P500 HydrophobicContact CE1-CB 3.34Å; Y493-P500 HydrophobicContact CE1-CG 3.96Å; Y493-P500 HydrophobicContact CE2-CB 3.53Å; Y493-P500 HydrophobicContact CG-CB 4.07Å; Y493-P500 WeakPolarHBondContact O-CB 3.44Å; Y493-P500 WeakPolarHBondContact O-CD 3.44Å; Y493-P500 WeakPolarHBondContact O-CG 3.43Å; P500-E502 VanDerWaalsContact C-N 3.25Å; P500-E502 PolarHBondContact O-N 3.38Å; P500-L503 PolarHBondContact O-N 3.11Å; P500-D504 PolarHBondContact O-N 3.15Å
501K91Very high89.7Confident172 Ų17266.8 Ų66.875%0.74834%0.335SS*.Hα-helixtrans-63-28.4175.1-68.8-173.8178.9-179.10113.3G499 K505G499-K501 PolarHBondContact O-N 2.88Å; K501-K505 VanDerWaalsContact O-CB 3.24Å; K501-K505 WeakPolarHBondContact O-CB 3.32Å; K501-K505 PolarHBondContact O-N 3.43Å
502E92.2Very high90.7Very high84 Ų8466 Ų6639%0.39333%0.332SS..Hα-helixtrans-72.8-35.8178-72.7-59.6133.100111.8Y496 G498 G499 P500 K505 S506Y496-E502 HydrophobicContact CD1-CB 4.46Å; Y496-E502 HydrophobicContact CE1-CB 4.18Å; G498-E502 WeakPolarHBondContact O-CG 3.46Å; G499-E502 PolarHBondContact O-N 3.13Å; P500-E502 VanDerWaalsContact C-N 3.25Å; P500-E502 PolarHBondContact O-N 3.38Å; E502-K505 PolarHBondContact O-N 3.04Å; E502-K505 IonicContact OE1-NZ 3.04Å; E502-K505 IonicContact OE2-NZ 2.83Å; E502-K505 PolarHBondContact OE2-NZ 2.87Å; E502-S506 PolarHBondContact O-N 3.25Å
503L92.2Very high91.2Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-62.5-49171-179.858.3000110.6L486 Y493 Y496 P500 K505 S506 I507 L536 Y539L486-L503 HydrophobicContact CD2-CD1 4.22Å; Y493-L503 HydrophobicContact CD2-CD2 4.48Å; Y493-L503 HydrophobicContact CE2-CD2 4.4Å; Y496-L503 HydrophobicContact CD1-CB 4.08Å; Y496-L503 HydrophobicContact CD2-CB 4.24Å; Y496-L503 HydrophobicContact CD2-CD2 4.3Å; Y496-L503 HydrophobicContact CE1-CB 3.89Å; Y496-L503 HydrophobicContact CE2-CB 4.04Å; Y496-L503 HydrophobicContact CE2-CD1 4.01Å; Y496-L503 HydrophobicContact CE2-CD2 4.29Å; Y496-L503 HydrophobicContact CE2-CG 4.34Å; Y496-L503 HydrophobicContact CG-CB 4.25Å; P500-L503 PolarHBondContact O-N 3.11Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.46Å; L503-S506 WeakPolarHBondContact O-CB 3.41Å; L503-S506 PolarHBondContact O-N 2.7Å; L503-S506 VanDerWaalsContact O-N 3.13Å; L503-I507 HydrophobicContact CD1-CD1 4.07Å; L503-I507 HydrophobicContact CG-CD1 3.92Å; L503-I507 WeakPolarHBondContact O-CG1 3.26Å; L503-I507 PolarHBondContact O-N 2.8Å; L503-L536 HydrophobicContact CD2-CD2 4.48Å; L503-Y539 HydrophobicContact CD2-CD1 4.21Å; L503-Y539 HydrophobicContact CD2-CE1 4.41Å
504D93.1Very high91.8Very high36 Ų3659.3 Ų59.319%0.19331%0.306CS..Hα-helixtrans-58.5-41.3177.1-80.4-19.7000112.5Y493 P500 I507 R508 Y539Y493-D504 PolarHBondContact OH-OD2 2.84Å; P500-D504 PolarHBondContact O-N 3.15Å; D504-I507 PolarHBondContact O-N 2.78Å; D504-R508 VanDerWaalsContact O-CB 3.27Å; D504-R508 WeakPolarHBondContact O-CB 3.43Å; D504-R508 WeakPolarHBondContact O-CG 3.32Å; D504-R508 PolarHBondContact O-N 2.89Å; D504-Y539 WeakPolarHBondContact OD1-CE1 3.42Å; D504-Y539 PolarHBondContact OD1-OH 3.18Å
505K93.4Very high92.2Very high123 Ų12351.5 Ų51.554%0.53527%0.274SS..Hα-helixtrans-63.9-39.7176.6179.9-177.2170.7-165.10111.8K501 E502 L503 I507 G510K501-K505 VanDerWaalsContact O-CB 3.24Å; K501-K505 WeakPolarHBondContact O-CB 3.32Å; K501-K505 PolarHBondContact O-N 3.43Å; E502-K505 PolarHBondContact O-N 3.04Å; E502-K505 IonicContact OE1-NZ 3.04Å; E502-K505 IonicContact OE2-NZ 2.83Å; E502-K505 PolarHBondContact OE2-NZ 2.87Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.46Å; K505-I507 VanDerWaalsContact C-N 3.33Å; K505-G510 WeakPolarHBondContact O-CA 3.21Å; K505-G510 PolarHBondContact O-N 2.84Å
506S94.8Very high92.7Very high16 Ų1645 Ų4511%0.11224%0.244CC..Hα-helixtrans-61.8-41.9174.5-171.80000111.9E502 L503 G510 L512 F513E502-S506 PolarHBondContact O-N 3.25Å; L503-S506 WeakPolarHBondContact O-CB 3.41Å; L503-S506 PolarHBondContact O-N 2.7Å; L503-S506 VanDerWaalsContact O-N 3.13Å; S506-G510 CarbonylContact O-C 3.3Å; S506-G510 VanDerWaalsContact O-C 3.28Å; S506-G510 WeakPolarHBondContact O-CA 3.43Å; S506-G510 PolarHBondContact O-N 2.85Å; S506-L512 PolarHBondContact O-N 3.23Å; S506-L512 WeakPolarHBondContact OG-CB 3.44Å; S506-L512 PolarHBondContact OG-N 2.81Å; S506-F513 PolarHBondContact O-N 2.94Å
507I96.4Very high93.1Very high1 Ų144 Ų441%0.00524%0.24CC..Hα-helixtrans-71.7-43.6179.9-65162.6000112.1L503 D504 K505 G509 L512 Y539 T540 H543 L544L503-I507 HydrophobicContact CD1-CD1 4.07Å; L503-I507 HydrophobicContact CG-CD1 3.92Å; L503-I507 WeakPolarHBondContact O-CG1 3.26Å; L503-I507 PolarHBondContact O-N 2.8Å; D504-I507 PolarHBondContact O-N 2.78Å; K505-I507 VanDerWaalsContact C-N 3.33Å; I507-G509 PolarHBondContact O-N 2.91Å; I507-L512 HydrophobicContact CG1-CD2 4.17Å; I507-Y539 HydrophobicContact CD1-CD1 4.31Å; I507-Y539 HydrophobicContact CD1-CE1 4.06Å; I507-T540 HydrophobicContact CD1-CG2 4.12Å; I507-T540 HydrophobicContact CG1-CG2 4.14Å; I507-H543 HydrophobicContact CG2-CB 3.88Å; I507-L544 HydrophobicContact CG2-CB 4.15Å
508R94.3Very high93.6Very high123 Ų12341.2 Ų41.246%0.46422%0.221SC..THydrogen-bonded Turntrans-9771.7-171.4-61.8177.4-177.2-121.93.1111.2D504 F547D504-R508 VanDerWaalsContact O-CB 3.27Å; D504-R508 WeakPolarHBondContact O-CB 3.43Å; D504-R508 WeakPolarHBondContact O-CG 3.32Å; D504-R508 PolarHBondContact O-N 2.89Å; R508-F547 HydrophobicContact CB-CD2 4.25Å; R508-F547 HydrophobicContact CB-CE2 3.98Å; R508-F547 HydrophobicContact CB-CZ 4.18Å; R508-F547 HydrophobicContact CG-CD2 4.08Å; R508-F547 HydrophobicContact CG-CE2 4.24Å
509G91.7Very high94Very high3 Ų339 Ų393%0.03119%0.193CC..THydrogen-bonded Turntrans90.9-3.7176.100000115.3W286 I507W286-G509 WeakPolarHBondContact CB-O 3.44Å; I507-G509 PolarHBondContact O-N 2.91Å
510G94.4Very high94.4Very high17 Ų1739 Ų3918%0.17519%0.189CC..SBendtrans-86.6-151.7177.300000114.5K505 S506 L512 F513 L514K505-G510 WeakPolarHBondContact O-CA 3.21Å; K505-G510 PolarHBondContact O-N 2.84Å; S506-G510 CarbonylContact O-C 3.3Å; S506-G510 VanDerWaalsContact O-C 3.28Å; S506-G510 WeakPolarHBondContact O-CA 3.43Å; S506-G510 PolarHBondContact O-N 2.85Å; G510-L512 PolarHBondContact O-N 2.96Å; G510-F513 PolarHBondContact O-N 3.19Å; G510-L514 WeakPolarHBondContact O-CB 3.39Å; G510-L514 VanDerWaalsContact O-CG 3.25Å; G510-L514 WeakPolarHBondContact O-CG 3.21Å; G510-L514 PolarHBondContact O-N 2.81Å
511E93.4Very high94.7Very high117 Ų11737.9 Ų37.955%0.54718%0.181SC..Hα-helixtrans-59.1-46.9-170.4-172.7-172.1-178.800113.4F513 L514 T515E511-F513 PolarHBondContact O-N 3.23Å; E511-L514 PolarHBondContact O-N 2.93Å; E511-T515 WeakPolarHBondContact O-CB 3.43Å; E511-T515 PolarHBondContact O-N 2.74Å; E511-T515 PolarHBondContact O-OG1 3.32Å
512L96Very high95Very high2 Ų229.7 Ų29.71%0.0115%0.145CC..Hα-helixtrans-66.1-41.1-178.4-178.657.1000111.6C484 S506 I507 G510 T515 V516 F524 T540 L544C484-L512 HydrophobicContact CB-CD1 4.02Å; C484-L512 HydrophobicContact CB-CD2 4.48Å; S506-L512 PolarHBondContact O-N 3.23Å; S506-L512 WeakPolarHBondContact OG-CB 3.44Å; S506-L512 PolarHBondContact OG-N 2.81Å; I507-L512 HydrophobicContact CG1-CD2 4.17Å; G510-L512 PolarHBondContact O-N 2.96Å; L512-T515 PolarHBondContact O-N 3.28Å; L512-V516 PolarHBondContact O-N 3.34Å; L512-F524 HydrophobicContact CD1-CD1 4Å; L512-F524 HydrophobicContact CD1-CE1 3.27Å; L512-F524 HydrophobicContact CD1-CE2 4.44Å; L512-F524 HydrophobicContact CD1-CZ 3.54Å; L512-T540 HydrophobicContact CD2-CG2 3.43Å; L512-T540 VanDerWaalsContact CD2-CG2 3.43Å; L512-L544 HydrophobicContact CD1-CD2 4.01Å; L512-L544 HydrophobicContact CD2-CD1 4.48Å; L512-L544 HydrophobicContact CD2-CD2 3.9Å; L512-L544 HydrophobicContact CG-CD1 4.01Å; L512-L544 HydrophobicContact CG-CD2 3.66Å; L512-L544 HydrophobicContact CG-CG 4.38Å
513F97.3Very high95.3Very high0 Ų025.8 Ų25.80%013%0.127CC..Hα-helixtrans-58.8-49.8171.8172.2-98.3000111.9L290 S506 G510 E511 T515 V516 L517 L544 F547 L548 T552L290-F513 HydrophobicContact CD1-CE1 4.09Å; L290-F513 HydrophobicContact CD1-CZ 3.84Å; S506-F513 PolarHBondContact O-N 2.94Å; G510-F513 PolarHBondContact O-N 3.19Å; E511-F513 PolarHBondContact O-N 3.23Å; F513-T515 VanDerWaalsContact C-N 3.26Å; F513-T515 PolarHBondContact O-N 2.87Å; F513-V516 PolarHBondContact O-N 3.35Å; F513-L517 HydrophobicContact CE1-CD2 4.13Å; F513-L517 WeakPolarHBondContact O-CB 3.24Å; F513-L517 PolarHBondContact O-N 2.92Å; F513-L544 HydrophobicContact CB-CD1 4.39Å; F513-F547 AromaticContact CD2-CD1 3.63Å; F513-F547 HydrophobicContact CD2-CD1 3.63Å; F513-F547 AromaticContact CD2-CE1 3.89Å; F513-F547 HydrophobicContact CD2-CE1 3.89Å; F513-F547 AromaticContact CE2-CD1 3.81Å; F513-F547 HydrophobicContact CE2-CD1 3.81Å; F513-F547 AromaticContact CE2-CE1 3.88Å; F513-F547 HydrophobicContact CE2-CE1 3.88Å; F513-F547 HydrophobicContact CG-CD1 4.43Å; F513-F547 HydrophobicContact CG-CE1 4.41Å; F513-F547 HydrophobicContact CZ-CE1 4.42Å; F513-L548 HydrophobicContact CD2-CD2 3.57Å; F513-L548 HydrophobicContact CD2-CG 4.09Å; F513-L548 HydrophobicContact CE2-CD2 3.55Å; F513-L548 HydrophobicContact CE2-CG 4.28Å; F513-T552 HydrophobicContact CE2-CG2 4.13Å; F513-T552 HydrophobicContact CZ-CG2 4.05Å
514L96.1Very high95.6Very high16 Ų1625.8 Ų25.88%0.08413%0.127CC..Hα-helixtrans-64.5-32.4-179.3-69170.9000112.5R289 G510 E511 L517 L518R289-L514 HydrophobicContact CB-CD2 3.93Å; R289-L514 VanDerWaalsContact CD-CD1 3.46Å; G510-L514 WeakPolarHBondContact O-CB 3.39Å; G510-L514 VanDerWaalsContact O-CG 3.25Å; G510-L514 WeakPolarHBondContact O-CG 3.21Å; G510-L514 PolarHBondContact O-N 2.81Å; E511-L514 PolarHBondContact O-N 2.93Å; L514-L517 HydrophobicContact CD2-CD2 3.77Å; L514-L517 WeakPolarHBondContact O-CB 3.36Å; L514-L517 PolarHBondContact O-N 3.31Å; L514-L518 WeakPolarHBondContact O-CB 3.45Å; L514-L518 WeakPolarHBondContact O-CG 3.23Å; L514-L518 PolarHBondContact O-N 3.26Å
515T95.8Very high95.6Very high22 Ų2225.2 Ų25.214%0.13512%0.123CC..Hα-helixtrans-61.1-47.1176.1-61.70000110.4Q482 E511 L512 F513 N519 F524Q482-T515 HydrophobicContact CB-CG2 4.16Å; Q482-T515 HydrophobicContact CG-CG2 4.02Å; E511-T515 WeakPolarHBondContact O-CB 3.43Å; E511-T515 PolarHBondContact O-N 2.74Å; E511-T515 PolarHBondContact O-OG1 3.32Å; L512-T515 PolarHBondContact O-N 3.28Å; F513-T515 VanDerWaalsContact C-N 3.26Å; F513-T515 PolarHBondContact O-N 2.87Å; T515-N519 VanDerWaalsContact O-CB 3.23Å; T515-N519 WeakPolarHBondContact O-CB 3.25Å; T515-N519 PolarHBondContact O-N 3.49Å; T515-N519 VanDerWaalsContact O-N 3.09Å; T515-N519 PolarHBondContact O-ND2 3.01Å; T515-F524 HydrophobicContact CG2-CE1 4.01Å; T515-F524 HydrophobicContact CG2-CZ 4.13Å
516V97.2Very high95.8Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-72.3-33.1175.5-1760000111.7R310 V312 L512 F513 L518 F524 L544 L548 L556R310-V516 HydrophobicContact CB-CG1 4.29Å; R310-V516 WeakPolarHBondContact CD-O 3.43Å; R310-V516 HydrophobicContact CG-CG1 4.24Å; R310-V516 PolarHBondContact NE-O 3.33Å; V312-V516 HydrophobicContact CG2-CG1 4.32Å; L512-V516 PolarHBondContact O-N 3.34Å; F513-V516 PolarHBondContact O-N 3.35Å; V516-L518 PolarHBondContact O-N 3.07Å; V516-F524 HydrophobicContact CG2-CE2 3.91Å; V516-F524 HydrophobicContact CG2-CZ 3.68Å; V516-L544 HydrophobicContact CG2-CD2 4.06Å; V516-L548 HydrophobicContact CB-CD1 3.93Å; V516-L548 HydrophobicContact CB-CD2 4.34Å; V516-L548 HydrophobicContact CG1-CD1 3.64Å; V516-L548 HydrophobicContact CG1-CD2 4.28Å; V516-L548 HydrophobicContact CG2-CD1 4.27Å; V516-L556 HydrophobicContact CG1-CD2 4.19Å
517L96.3Very high95.9Very high1 Ų119.2 Ų19.21%0.00510%0.095CC..Hα-helixtrans-60-47.5177.9-179.967.8000112L207 L290 V293 R310 F513 L514 L554L207-L517 HydrophobicContact CD1-CD1 3.59Å; L207-L517 HydrophobicContact CD2-CD1 3.32Å; L207-L517 HydrophobicContact CG-CD1 4.08Å; L290-L517 HydrophobicContact CD1-CD1 3.45Å; L290-L517 VanDerWaalsContact CD1-CD1 3.45Å; L290-L517 HydrophobicContact CD1-CD2 3.67Å; L290-L517 HydrophobicContact CD1-CG 4.22Å; V293-L517 HydrophobicContact CG2-CD2 4.37Å; R310-L517 PolarHBondContact NE-O 2.6Å; R310-L517 VanDerWaalsContact NE-O 3.16Å; R310-L517 PolarHBondContact NH2-O 2.76Å; F513-L517 HydrophobicContact CE1-CD2 4.13Å; F513-L517 WeakPolarHBondContact O-CB 3.24Å; F513-L517 PolarHBondContact O-N 2.92Å; L514-L517 HydrophobicContact CD2-CD2 3.77Å; L514-L517 WeakPolarHBondContact O-CB 3.36Å; L514-L517 PolarHBondContact O-N 3.31Å; L517-L554 HydrophobicContact CD1-CD1 4.31Å
518L96.1Very high95.8Very high6 Ų619.1 Ų19.13%0.03110%0.095CC..Hα-helixtrans-96.1-22.9-168.2-59.9173.7000113.4I101 V293 L306 L514 V516I101-L518 HydrophobicContact CG1-CD1 4.29Å; I101-L518 HydrophobicContact CG2-CD1 4.38Å; I101-L518 HydrophobicContact CG2-CD2 4.18Å; V293-L518 HydrophobicContact CG2-CD2 3.75Å; L306-L518 HydrophobicContact CD1-CD2 4.34Å; L514-L518 WeakPolarHBondContact O-CB 3.45Å; L514-L518 WeakPolarHBondContact O-CG 3.23Å; L514-L518 PolarHBondContact O-N 3.26Å; V516-L518 PolarHBondContact O-N 3.07Å
519N95Very high95.7Very high26 Ų2614 Ų1414%0.1398%0.078CC..  trans-98.9122.7179.3-64.3-76.1000111.8R310 T515 I521R310-N519 WeakPolarHBondContact CD-O 3.46Å; T515-N519 VanDerWaalsContact O-CB 3.23Å; T515-N519 WeakPolarHBondContact O-CB 3.25Å; T515-N519 PolarHBondContact O-N 3.49Å; T515-N519 VanDerWaalsContact O-N 3.09Å; T515-N519 PolarHBondContact O-ND2 3.01Å; N519-I521 PolarHBondContact O-N 3.43Å
520P96Very high95.9Very high22 Ų2214.2 Ų14.214%0.1438%0.078CC..SBendtrans-61-25.2173.8-25.735.6000114.3R310 H311 L571 F572R310-P520 WeakPolarHBondContact CA-O 3.49Å; H311-P520 PolarHBondContact N-O 3.26Å; H311-P520 PolarHBondContact ND1-O 2.88Å; P520-L571 HydrophobicContact CB-CD1 3.93Å; P520-F572 HydrophobicContact CG-CZ 4.23Å
521I96.9Very high95.9Very high8 Ų813.5 Ų13.54%0.0417%0.07CC..EExtended strand (participates in β ladder)trans-136.7124.6-179.5-62.9178.6000108.5H311 N519 L564 K567 Y568 L571H311-I521 HydrophobicContact CB-CG1 4.09Å; H311-I521 CarbonylContact O-C 3.56Å; H311-I521 WeakPolarHBondContact O-CA 3.44Å; N519-I521 PolarHBondContact O-N 3.43Å; I521-L564 HydrophobicContact CD1-CD1 4.06Å; I521-L564 HydrophobicContact CG1-CD1 4.15Å; I521-L564 HydrophobicContact CG2-CD1 3.75Å; I521-L564 HydrophobicContact CG2-CD2 4.07Å; I521-L564 HydrophobicContact CG2-CG 3.93Å; I521-K567 HydrophobicContact CD1-CB 4.4Å; I521-K567 HydrophobicContact CD1-CG 4.42Å; I521-Y568 HydrophobicContact CB-CD2 4.35Å; I521-Y568 HydrophobicContact CD1-CD2 3.98Å; I521-Y568 HydrophobicContact CD1-CG 4.36Å; I521-Y568 HydrophobicContact CG2-CD2 4.49Å; I521-L571 HydrophobicContact CD1-CD1 4.08Å; I521-L571 HydrophobicContact CG1-CD1 4.38Å
522S97.3Very high95.8Very high1 Ų18 Ų81%0.0075%0.045CC..EExtended strand (participates in β ladder)trans-129117.4178.2-61.90000110H311 V312 L313H311-S522 PolarHBondContact O-N 2.95Å; V312-S522 WeakPolarHBondContact CA-O 3.22Å; L313-S522 PolarHBondContact N-O 2.92Å
523I97.9Very high95.5Very high1 Ų110.5 Ų10.51%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-105.9111172.2-54.3172.2000106.9L313 L479 R481 Q482 L564L313-I523 HydrophobicContact CB-CG1 4.31Å; L313-I523 HydrophobicContact CB-CG2 4.36Å; L313-I523 HydrophobicContact CD2-CG1 4.41Å; L313-I523 HydrophobicContact CD2-CG2 4.04Å; L313-I523 HydrophobicContact CG-CG2 4.36Å; L313-I523 CarbonylContact O-C 3.59Å; L313-I523 WeakPolarHBondContact O-CA 3.37Å; L479-I523 HydrophobicContact CB-CD1 3.56Å; L479-I523 HydrophobicContact CD1-CD1 3.59Å; L479-I523 HydrophobicContact CG-CD1 4.24Å; R481-I523 HydrophobicContact CG-CB 4.25Å; R481-I523 HydrophobicContact CG-CG2 3.97Å; R481-I523 WeakPolarHBondContact CG-O 3.5Å; Q482-I523 PolarHBondContact N-O 3.4Å; I523-L564 HydrophobicContact CD1-CD2 4.13Å; I523-L564 HydrophobicContact CG1-CD2 3.94Å
524F97.8Very high95.1Very high0 Ų014.1 Ų14.10%08%0.078CC..EExtended strand (participates in β ladder)trans-91.8133.6-178.4-67.6-71.4000111.4V312 L313 D315 Q482 C484 L512 T515 V516 F541V312-F524 HydrophobicContact CG1-CD2 3.97Å; V312-F524 HydrophobicContact CG1-CE2 3.99Å; L313-F524 PolarHBondContact O-N 2.83Å; D315-F524 PolarHBondContact N-O 3.37Å; Q482-F524 HydrophobicContact CB-CD1 3.94Å; Q482-F524 HydrophobicContact CB-CE1 3.94Å; Q482-F524 WeakPolarHBondContact O-CA 3.43Å; C484-F524 HydrophobicContact CB-CB 4.49Å; C484-F524 HydrophobicContact CB-CD1 3.82Å; C484-F524 HydrophobicContact CB-CE1 4.48Å; C484-F524 HydrophobicContact CB-CG 4.4Å; L512-F524 HydrophobicContact CD1-CD1 4Å; L512-F524 HydrophobicContact CD1-CE1 3.27Å; L512-F524 HydrophobicContact CD1-CE2 4.44Å; L512-F524 HydrophobicContact CD1-CZ 3.54Å; T515-F524 HydrophobicContact CG2-CE1 4.01Å; T515-F524 HydrophobicContact CG2-CZ 4.13Å; V516-F524 HydrophobicContact CG2-CE2 3.91Å; V516-F524 HydrophobicContact CG2-CZ 3.68Å; F524-F541 HydrophobicContact CB-CE1 4.03Å; F524-F541 HydrophobicContact CB-CZ 3.72Å; F524-F541 AromaticContact CD2-CE1 3.67Å; F524-F541 HydrophobicContact CD2-CE1 3.67Å; F524-F541 HydrophobicContact CD2-CZ 4.26Å; F524-F541 HydrophobicContact CE2-CE1 4.28Å; F524-F541 AromaticContact CG-CE1 3.85Å; F524-F541 HydrophobicContact CG-CE1 3.85Å; F524-F541 HydrophobicContact CG-CZ 4.04Å
525M94.6Very high95Very high25 Ų2517 Ų1712%0.1239%0.088CC..EExtended strand (participates in β ladder)trans-86.3123.5169.7-175.5176.569.400110.8H431 R481 Q482 C484H431-M525 PolarHBondContact NE2-SD 3.03Å; R481-M525 HydrophobicContact CG-CB 4.25Å; Q482-M525 PolarHBondContact O-N 3.32Å; C484-M525 PolarHBondContact SG-O 2.8Å
526T96.6Very high95Very high0 Ų016.4 Ų16.40%08%0.084CC..EExtended strand (participates in β ladder)trans-136170.3167.655.80000109.8V314 D315 D317 L486 Y531 F541V314-T526 HydrophobicContact CG1-CG2 4.45Å; D315-T526 PolarHBondContact O-N 3.45Å; D315-T526 PolarHBondContact O-OG1 3.36Å; D317-T526 PolarHBondContact N-O 2.83Å; L486-T526 HydrophobicContact CD1-CG2 4.06Å; T526-Y531 WeakPolarHBondContact OG1-CE2 3.34Å; T526-Y531 PolarHBondContact OG1-OH 2.71Å; T526-F541 HydrophobicContact CG2-CE2 3.76Å; T526-F541 HydrophobicContact CG2-CZ 4.1Å
527H96.2Very high94.9Very high12 Ų1216.4 Ų16.46%0.0568%0.084CC..EExtended strand (participates in β ladder)trans-130.8158.4-177.9-54.876.7000110D317 D318 T488 S529 N530 Y531D317-H527 CarbonylContact O-C 3.6Å; D317-H527 WeakPolarHBondContact O-CA 3.44Å; D318-H527 HydrophobicContact CB-CB 4.47Å; D318-H527 IonicContact OD2-CD2 3.46Å; D318-H527 PolarHBondContact OD2-CD2 3.49Å; T488-H527 WeakPolarHBondContact CG2-CE1 3.37Å; T488-H527 WeakPolarHBondContact CG2-NE2 3.31Å; H527-S529 PolarHBondContact O-N 3.23Å; H527-S529 VanDerWaalsContact O-N 3.11Å; H527-N530 PolarHBondContact N-OD1 3.39Å; H527-N530 VanDerWaalsContact O-CB 3.27Å; H527-N530 WeakPolarHBondContact O-CB 3.33Å; H527-N530 PolarHBondContact O-N 3.09Å; H527-N530 PolarHBondContact O-OD1 2.95Å; H527-Y531 VanDerWaalsContact O-CD2 3.31Å; H527-Y531 WeakPolarHBondContact O-CD2 3.25Å
528L95.7Very high94.9Very high0 Ų017 Ų170%09%0.087CC..G310 helixtrans-46.3-42.2177.5173.8145.7000113.2D317 D318 I319 R327 M328 N530 Y531 G532D317-L528 PolarHBondContact O-N 3.17Å; D318-L528 VanDerWaalsContact O-CB 3.25Å; D318-L528 WeakPolarHBondContact O-CB 3.35Å; I319-L528 HydrophobicContact CD1-CB 4.28Å; I319-L528 HydrophobicContact CD1-CD1 4.13Å; R327-L528 HydrophobicContact CB-CD2 4.08Å; R327-L528 HydrophobicContact CG-CD2 4.45Å; M328-L528 HydrophobicContact CE-CD1 3.81Å; M328-L528 HydrophobicContact CE-CG 3.8Å; M328-L528 HydrophobicContact CG-CG 4.27Å; L528-N530 PolarHBondContact O-N 3.2Å; L528-N530 VanDerWaalsContact O-N 3.12Å; L528-Y531 PolarHBondContact O-N 2.85Å; L528-G532 PolarHBondContact O-N 2.87Å
529S92.6Very high94.9Very high14 Ų1419.5 Ų19.510%0.09810%0.096CC..G310 helixtrans-59.2-23.5178.762.40000114.1T488 H527 Y531T488-S529 PolarHBondContact O-OG 2.87Å; H527-S529 PolarHBondContact O-N 3.23Å; H527-S529 VanDerWaalsContact O-N 3.11Å; S529-Y531 PolarHBondContact O-N 3.16Å
530N94.6Very high95Very high9 Ų918.3 Ų18.35%0.0489%0.09CC..G310 helixtrans-74.9-14.2176.7-55.1147.3000113L486 F487 H527 L528 R535 L536 G537L486-N530 HydrophobicContact CD1-CB 4.37Å; F487-N530 PolarHBondContact O-ND2 3.01Å; H527-N530 PolarHBondContact N-OD1 3.39Å; H527-N530 VanDerWaalsContact O-CB 3.27Å; H527-N530 WeakPolarHBondContact O-CB 3.33Å; H527-N530 PolarHBondContact O-N 3.09Å; H527-N530 PolarHBondContact O-OD1 2.95Å; L528-N530 PolarHBondContact O-N 3.2Å; L528-N530 VanDerWaalsContact O-N 3.12Å; N530-R535 CarbonylContact O-C 3.53Å; N530-R535 WeakPolarHBondContact O-CA 3.35Å; N530-L536 PolarHBondContact O-N 3.27Å; N530-L536 VanDerWaalsContact O-N 3.09Å; N530-G537 PolarHBondContact O-N 3.15Å
531Y95.8Very high95.1Very high1 Ų117.5 Ų17.50%0.0048%0.084CC..THydrogen-bonded Turntrans-112.6-11.5-177.3-59.7-89.5000112.6V314 I316 M328 L336 F352 T526 H527 L528 S529 R535 L538V314-Y531 WeakPolarHBondContact CG1-OH 3.36Å; I316-Y531 HydrophobicContact CB-CE2 4.12Å; I316-Y531 HydrophobicContact CD1-CD1 4.22Å; I316-Y531 HydrophobicContact CD1-CD2 3.87Å; I316-Y531 HydrophobicContact CD1-CE1 3.88Å; I316-Y531 HydrophobicContact CD1-CE2 3.52Å; I316-Y531 HydrophobicContact CD1-CG 4.21Å; I316-Y531 HydrophobicContact CG1-CD2 4.2Å; I316-Y531 HydrophobicContact CG1-CE2 3.49Å; I316-Y531 VanDerWaalsContact CG1-CE2 3.49Å; I316-Y531 HydrophobicContact CG2-CD2 3.71Å; I316-Y531 HydrophobicContact CG2-CE2 3.66Å; M328-Y531 VanDerWaalsContact SD-CB 3.57Å; L336-Y531 HydrophobicContact CD1-CD1 3.68Å; L336-Y531 HydrophobicContact CD1-CE1 3.98Å; L336-Y531 HydrophobicContact CD1-CG 4.41Å; F352-Y531 AromaticContact CE1-CE1 3.94Å; F352-Y531 HydrophobicContact CE1-CE1 3.94Å; F352-Y531 HydrophobicContact CZ-CE1 4.18Å; T526-Y531 WeakPolarHBondContact OG1-CE2 3.34Å; T526-Y531 PolarHBondContact OG1-OH 2.71Å; H527-Y531 VanDerWaalsContact O-CD2 3.31Å; H527-Y531 WeakPolarHBondContact O-CD2 3.25Å; L528-Y531 PolarHBondContact O-N 2.85Å; S529-Y531 PolarHBondContact O-N 3.16Å; Y531-R535 WeakPolarHBondContact O-CG 3.22Å; Y531-L538 HydrophobicContact CD1-CD2 3.5Å; Y531-L538 VanDerWaalsContact CD1-CD2 3.5Å; Y531-L538 HydrophobicContact CD1-CG 3.89Å; Y531-L538 HydrophobicContact CE1-CD2 3.72Å; Y531-L538 HydrophobicContact CE1-CG 4.4Å
532G90.8Very high95.2Very high2 Ų218 Ų182%0.0219%0.087CC..SBendtrans-78.9170.4163.400000112.4L528 D534 R535L528-G532 PolarHBondContact O-N 2.87Å; G532-D534 PolarHBondContact O-N 2.97Å; G532-D534 VanDerWaalsContact O-N 3.13Å; G532-R535 PolarHBondContact O-N 2.97Å
533N88.4Confident95.2Very high55 Ų5521 Ų2129%0.29410%0.101SC..THydrogen-bonded Turntrans54-112.6173.4-64.5-69.2000113.6G325 T490 Y492 R535G325-N533 PolarHBondContact O-ND2 3.02Å; T490-N533 HydrophobicContact CG2-CB 4.29Å; Y492-N533 HydrophobicContact CE1-CB 3.97Å; N533-R535 PolarHBondContact O-N 3.14Å
534D90.4Very high95.2Very high76 Ų7621.2 Ų21.241%0.40610%0.102SC..THydrogen-bonded Turntrans-74.2-6.3-178.1-80.73.5000113.8Y492 Y493 G532 L536Y492-D534 WeakPolarHBondContact CA-OD2 3.32Å; Y493-D534 PolarHBondContact N-OD2 2.71Å; G532-D534 PolarHBondContact O-N 2.97Å; G532-D534 VanDerWaalsContact O-N 3.13Å; D534-L536 VanDerWaalsContact C-N 3.3Å; D534-L536 HydrophobicContact CB-CD2 4.24Å; D534-L536 HydrophobicContact CB-CG 4.4Å; D534-L536 PolarHBondContact O-N 2.94Å
535R94.1Very high95.2Very high76 Ų7621.3 Ų21.329%0.28710%0.103SC..  trans54.342.3175.1-59159.2-173.4-177-0.3113.4K331 D332 A335 N530 Y531 G532 N533 G537 L538 Y539K331-R535 VanDerWaalsContact C-NH2 3.3Å; K331-R535 PolarHBondContact O-NH2 2.63Å; D332-R535 IonicContact OD1-CZ 2.63Å; D332-R535 IonicContact OD1-NE 2.67Å; D332-R535 PolarHBondContact OD1-NE 3.09Å; D332-R535 IonicContact OD1-NH2 3.47Å; D332-R535 PolarHBondContact OD1-NH2 3.34Å; A335-R535 VanDerWaalsContact CB-NH1 3.31Å; N530-R535 CarbonylContact O-C 3.53Å; N530-R535 WeakPolarHBondContact O-CA 3.35Å; Y531-R535 WeakPolarHBondContact O-CG 3.22Å; G532-R535 PolarHBondContact O-N 2.97Å; N533-R535 PolarHBondContact O-N 3.14Å; R535-G537 PolarHBondContact O-N 3.3Å; R535-G537 VanDerWaalsContact O-N 3.13Å; R535-L538 HydrophobicContact CB-CB 4.26Å; R535-L538 HydrophobicContact CB-CD1 3.9Å; R535-L538 HydrophobicContact CB-CG 4.09Å; R535-L538 HydrophobicContact CG-CD1 4.13Å; R535-L538 WeakPolarHBondContact O-CB 3.27Å; R535-L538 PolarHBondContact O-N 2.76Å; R535-Y539 PolarHBondContact O-N 2.77Å
536L94.3Very high95.4Very high10 Ų1022 Ų225%0.05211%0.11CC..Hα-helixtrans-56.3-31.5-177.6-66-169.7000113.4L486 I491 Y493 Y496 L503 N530 D534 T540L486-L536 HydrophobicContact CD2-CB 3.99Å; I491-L536 HydrophobicContact CB-CD1 4.37Å; I491-L536 HydrophobicContact CG2-CD1 4.19Å; I491-L536 WeakPolarHBondContact O-CD1 3.25Å; Y493-L536 HydrophobicContact CD2-CD2 3.73Å; Y493-L536 HydrophobicContact CG-CD2 4.26Å; Y496-L536 HydrophobicContact CD2-CD1 4.44Å; L503-L536 HydrophobicContact CD2-CD2 4.48Å; N530-L536 PolarHBondContact O-N 3.27Å; N530-L536 VanDerWaalsContact O-N 3.09Å; D534-L536 VanDerWaalsContact C-N 3.3Å; D534-L536 HydrophobicContact CB-CD2 4.24Å; D534-L536 HydrophobicContact CB-CG 4.4Å; D534-L536 PolarHBondContact O-N 2.94Å; L536-T540 VanDerWaalsContact O-CB 3.25Å; L536-T540 WeakPolarHBondContact O-CB 3.24Å; L536-T540 PolarHBondContact O-N 3.49Å; L536-T540 PolarHBondContact O-OG1 3.17Å
537G95.8Very high95.4Very high0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-58.5-48.3173.200000112.3N530 R535 T540 F541N530-G537 PolarHBondContact O-N 3.15Å; R535-G537 PolarHBondContact O-N 3.3Å; R535-G537 VanDerWaalsContact O-N 3.13Å; G537-T540 PolarHBondContact O-N 2.81Å; G537-F541 VanDerWaalsContact O-CD2 3.24Å; G537-F541 WeakPolarHBondContact O-CD2 3.47Å; G537-F541 PolarHBondContact O-N 3.21Å
538L97.1Very high95.5Very high12 Ų1222.7 Ų22.76%0.06311%0.113CC..Hα-helixtrans-63.4-48.1179.2-55.8-174.8000111.1A335 L336 T339 F352 Y531 R535 T540 V542A335-L538 HydrophobicContact CB-CD1 3.9Å; L336-L538 HydrophobicContact CD1-CD2 3.73Å; T339-L538 HydrophobicContact CG2-CB 4.11Å; T339-L538 HydrophobicContact CG2-CD2 3.83Å; T339-L538 HydrophobicContact CG2-CG 4.46Å; F352-L538 HydrophobicContact CE2-CD2 4.44Å; F352-L538 HydrophobicContact CZ-CD2 4.12Å; Y531-L538 HydrophobicContact CD1-CD2 3.5Å; Y531-L538 VanDerWaalsContact CD1-CD2 3.5Å; Y531-L538 HydrophobicContact CD1-CG 3.89Å; Y531-L538 HydrophobicContact CE1-CD2 3.72Å; Y531-L538 HydrophobicContact CE1-CG 4.4Å; R535-L538 HydrophobicContact CB-CB 4.26Å; R535-L538 HydrophobicContact CB-CD1 3.9Å; R535-L538 HydrophobicContact CB-CG 4.09Å; R535-L538 HydrophobicContact CG-CD1 4.13Å; R535-L538 WeakPolarHBondContact O-CB 3.27Å; R535-L538 PolarHBondContact O-N 2.76Å; L538-T540 VanDerWaalsContact C-N 3.34Å; L538-T540 PolarHBondContact O-N 3.41Å; L538-V542 WeakPolarHBondContact O-CB 3.49Å; L538-V542 VanDerWaalsContact O-CG2 3.3Å; L538-V542 WeakPolarHBondContact O-CG2 3.44Å; L538-V542 PolarHBondContact O-N 3.44Å
539Y95.8Very high95.6Very high60 Ų6029 Ų2924%0.23514%0.137CC..Hα-helixtrans-54.1-52.1175.5178-95.8000111Y493 L503 D504 I507 R535 F541 H543Y493-Y539 HydrophobicContact CE2-CE1 4.11Å; L503-Y539 HydrophobicContact CD2-CD1 4.21Å; L503-Y539 HydrophobicContact CD2-CE1 4.41Å; D504-Y539 WeakPolarHBondContact OD1-CE1 3.42Å; D504-Y539 PolarHBondContact OD1-OH 3.18Å; I507-Y539 HydrophobicContact CD1-CD1 4.31Å; I507-Y539 HydrophobicContact CD1-CE1 4.06Å; R535-Y539 PolarHBondContact O-N 2.77Å; Y539-F541 PolarHBondContact O-N 3.12Å; Y539-H543 AromaticContact CD2-CD2 3.34Å; Y539-H543 WeakPolarHBondContact CD2-CD2 3.34Å; Y539-H543 AromaticContact CD2-NE2 3.5Å; Y539-H543 AromaticContact CE2-CD2 3.26Å; Y539-H543 WeakPolarHBondContact CE2-CD2 3.22Å; Y539-H543 AromaticContact CE2-NE2 3.22Å; Y539-H543 WeakPolarHBondContact CE2-NE2 3.3Å; Y539-H543 AromaticContact CG-CD2 3.82Å; Y539-H543 AromaticContact CZ-CD2 3.69Å; Y539-H543 AromaticContact CZ-NE2 3.96Å; Y539-H543 WeakPolarHBondContact O-CB 3.44Å; Y539-H543 PolarHBondContact O-CD2 3.2Å; Y539-H543 PolarHBondContact O-N 3.22Å; Y539-H543 VanDerWaalsContact O-N 3.08Å
540T96.8Very high95.7Very high0 Ų031.5 Ų31.50%016%0.155CC..Hα-helixtrans-58.2-52.4-173.7-620000112.3L486 I507 L512 L536 G537 L538 L544L486-T540 HydrophobicContact CD1-CG2 4.49Å; I507-T540 HydrophobicContact CD1-CG2 4.12Å; I507-T540 HydrophobicContact CG1-CG2 4.14Å; L512-T540 HydrophobicContact CD2-CG2 3.43Å; L512-T540 VanDerWaalsContact CD2-CG2 3.43Å; L536-T540 VanDerWaalsContact O-CB 3.25Å; L536-T540 WeakPolarHBondContact O-CB 3.24Å; L536-T540 PolarHBondContact O-N 3.49Å; L536-T540 PolarHBondContact O-OG1 3.17Å; G537-T540 PolarHBondContact O-N 2.81Å; L538-T540 VanDerWaalsContact C-N 3.34Å; L538-T540 PolarHBondContact O-N 3.41Å; T540-L544 VanDerWaalsContact O-CB 3.24Å; T540-L544 WeakPolarHBondContact O-CB 3.37Å; T540-L544 PolarHBondContact O-N 3.13Å
541F98.1Very high95.8Very high6 Ų632.3 Ų32.33%0.02616%0.157CC..Hα-helixtrans-75.7-33.1-173.9-69.6-65.3000113.6V314 L343 C484 F524 T526 G537 Y539 L544 A545V314-F541 HydrophobicContact CB-CE2 4.41Å; V314-F541 HydrophobicContact CB-CZ 4.49Å; V314-F541 HydrophobicContact CG1-CD2 4.06Å; V314-F541 HydrophobicContact CG1-CE2 3.48Å; V314-F541 VanDerWaalsContact CG1-CE2 3.48Å; V314-F541 HydrophobicContact CG1-CZ 3.84Å; V314-F541 HydrophobicContact CG2-CD1 4Å; V314-F541 HydrophobicContact CG2-CD2 4.18Å; V314-F541 HydrophobicContact CG2-CE1 3.81Å; V314-F541 HydrophobicContact CG2-CE2 3.98Å; V314-F541 HydrophobicContact CG2-CG 4.2Å; V314-F541 HydrophobicContact CG2-CZ 3.8Å; L343-F541 HydrophobicContact CD1-CB 4.28Å; L343-F541 HydrophobicContact CD2-CB 4.46Å; C484-F541 HydrophobicContact CB-CZ 4.29Å; F524-F541 HydrophobicContact CB-CE1 4.03Å; F524-F541 HydrophobicContact CB-CZ 3.72Å; F524-F541 AromaticContact CD2-CE1 3.67Å; F524-F541 HydrophobicContact CD2-CE1 3.67Å; F524-F541 HydrophobicContact CD2-CZ 4.26Å; F524-F541 HydrophobicContact CE2-CE1 4.28Å; F524-F541 AromaticContact CG-CE1 3.85Å; F524-F541 HydrophobicContact CG-CE1 3.85Å; F524-F541 HydrophobicContact CG-CZ 4.04Å; T526-F541 HydrophobicContact CG2-CE2 3.76Å; T526-F541 HydrophobicContact CG2-CZ 4.1Å; G537-F541 VanDerWaalsContact O-CD2 3.24Å; G537-F541 WeakPolarHBondContact O-CD2 3.47Å; G537-F541 PolarHBondContact O-N 3.21Å; Y539-F541 PolarHBondContact O-N 3.12Å; F541-L544 HydrophobicContact CD1-CD2 4.24Å; F541-A545 VanDerWaalsContact O-CB 3.29Å; F541-A545 WeakPolarHBondContact O-CB 3.47Å; F541-A545 PolarHBondContact O-N 3.37Å
542V98.2Very high95.9Very high17 Ų1732.2 Ų32.210%0.10316%0.157CC..Hα-helixtrans-63.8-47.5174.4171.30000110.5T339 L343 L538 A545 S546T339-V542 HydrophobicContact CG2-CG2 3.44Å; T339-V542 VanDerWaalsContact CG2-CG2 3.44Å; L343-V542 HydrophobicContact CD2-CG2 4.01Å; L343-V542 HydrophobicContact CG-CG2 4.17Å; L538-V542 WeakPolarHBondContact O-CB 3.49Å; L538-V542 VanDerWaalsContact O-CG2 3.3Å; L538-V542 WeakPolarHBondContact O-CG2 3.44Å; L538-V542 PolarHBondContact O-N 3.44Å; V542-A545 PolarHBondContact O-N 3.3Å; V542-S546 VanDerWaalsContact O-CB 3.27Å; V542-S546 WeakPolarHBondContact O-CB 3.46Å; V542-S546 PolarHBondContact O-N 3.38Å
543H97.8Very high96.3Very high64 Ų6435 Ų3530%0.29617%0.171SC..Hα-helixtrans-68.7-37.2179.8-76.9-74.5000112.2I507 Y539 F547I507-H543 HydrophobicContact CG2-CB 3.88Å; Y539-H543 AromaticContact CD2-CD2 3.34Å; Y539-H543 WeakPolarHBondContact CD2-CD2 3.34Å; Y539-H543 AromaticContact CD2-NE2 3.5Å; Y539-H543 AromaticContact CE2-CD2 3.26Å; Y539-H543 WeakPolarHBondContact CE2-CD2 3.22Å; Y539-H543 AromaticContact CE2-NE2 3.22Å; Y539-H543 WeakPolarHBondContact CE2-NE2 3.3Å; Y539-H543 AromaticContact CG-CD2 3.82Å; Y539-H543 AromaticContact CZ-CD2 3.69Å; Y539-H543 AromaticContact CZ-NE2 3.96Å; Y539-H543 WeakPolarHBondContact O-CB 3.44Å; Y539-H543 PolarHBondContact O-CD2 3.2Å; Y539-H543 PolarHBondContact O-N 3.22Å; Y539-H543 VanDerWaalsContact O-N 3.08Å; H543-F547 VanDerWaalsContact O-CB 3.26Å; H543-F547 WeakPolarHBondContact O-CB 3.27Å; H543-F547 PolarHBondContact O-N 3.07Å
544L98.3Very high96.7Very high6 Ų633.2 Ų33.23%0.03116%0.162CC..Hα-helixtrans-61.2-51.7173.8178.365.5000111.9I507 L512 F513 V516 T540 F541 S546 F547 L548I507-L544 HydrophobicContact CG2-CB 4.15Å; L512-L544 HydrophobicContact CD1-CD2 4.01Å; L512-L544 HydrophobicContact CD2-CD1 4.48Å; L512-L544 HydrophobicContact CD2-CD2 3.9Å; L512-L544 HydrophobicContact CG-CD1 4.01Å; L512-L544 HydrophobicContact CG-CD2 3.66Å; L512-L544 HydrophobicContact CG-CG 4.38Å; F513-L544 HydrophobicContact CB-CD1 4.39Å; V516-L544 HydrophobicContact CG2-CD2 4.06Å; T540-L544 VanDerWaalsContact O-CB 3.24Å; T540-L544 WeakPolarHBondContact O-CB 3.37Å; T540-L544 PolarHBondContact O-N 3.13Å; F541-L544 HydrophobicContact CD1-CD2 4.24Å; L544-S546 VanDerWaalsContact C-N 3.33Å; L544-S546 PolarHBondContact O-N 3.23Å; L544-F547 PolarHBondContact O-N 3.04Å; L544-L548 HydrophobicContact CD1-CD1 4Å; L544-L548 HydrophobicContact CD1-CG 4.29Å; L544-L548 HydrophobicContact CG-CD1 3.86Å; L544-L548 WeakPolarHBondContact O-CB 3.46Å; L544-L548 WeakPolarHBondContact O-CG 3.31Å; L544-L548 PolarHBondContact O-N 3.39Å
545A98.2Very high97.1Very high3 Ų335.4 Ų35.43%0.02517%0.168CC..Hα-helixtrans-63.6-40.4-177.900000111.6L343 Y346 I347 F541 V542 R549L343-A545 HydrophobicContact CD2-CB 4.11Å; Y346-A545 HydrophobicContact CG-CB 4.11Å; I347-A545 HydrophobicContact CD1-CB 4.19Å; I347-A545 HydrophobicContact CG1-CB 4.29Å; F541-A545 VanDerWaalsContact O-CB 3.29Å; F541-A545 WeakPolarHBondContact O-CB 3.47Å; F541-A545 PolarHBondContact O-N 3.37Å; V542-A545 PolarHBondContact O-N 3.3Å; A545-R549 WeakPolarHBondContact O-CB 3.48Å; A545-R549 PolarHBondContact O-N 2.8Å
546S97.7Very high97.3Very high39 Ų3932.5 Ų32.527%0.27316%0.157SC..Hα-helixtrans-62.6-45.1174.5-179.20000112.3V542 L544 R549 S550V542-S546 VanDerWaalsContact O-CB 3.27Å; V542-S546 WeakPolarHBondContact O-CB 3.46Å; V542-S546 PolarHBondContact O-N 3.38Å; L544-S546 VanDerWaalsContact C-N 3.33Å; L544-S546 PolarHBondContact O-N 3.23Å; S546-R549 PolarHBondContact O-N 3.04Å; S546-S550 WeakPolarHBondContact O-CB 3.47Å; S546-S550 PolarHBondContact O-N 3.07Å; S546-S550 PolarHBondContact O-OG 2.93Å
547F97.6Very high97.5Very high24 Ų2434.2 Ų34.211%0.10517%0.165CC..Hα-helixtrans-66.1-45.2179.5-168.5-96.9000111.8W286 R508 F513 H543 L544 R549 S550 W551W286-F547 HydrophobicContact CD2-CZ 4.44Å; W286-F547 HydrophobicContact CE3-CE1 4.33Å; W286-F547 HydrophobicContact CE3-CZ 4.28Å; W286-F547 HydrophobicContact CH2-CE1 4.34Å; W286-F547 AromaticContact CH2-CZ 3.79Å; W286-F547 HydrophobicContact CH2-CZ 3.79Å; W286-F547 AromaticContact CZ2-CZ 3.94Å; W286-F547 HydrophobicContact CZ2-CZ 3.94Å; W286-F547 HydrophobicContact CZ3-CE1 4.08Å; W286-F547 AromaticContact CZ3-CZ 3.96Å; W286-F547 HydrophobicContact CZ3-CZ 3.96Å; R508-F547 HydrophobicContact CB-CD2 4.25Å; R508-F547 HydrophobicContact CB-CE2 3.98Å; R508-F547 HydrophobicContact CB-CZ 4.18Å; R508-F547 HydrophobicContact CG-CD2 4.08Å; R508-F547 HydrophobicContact CG-CE2 4.24Å; F513-F547 AromaticContact CD2-CD1 3.63Å; F513-F547 HydrophobicContact CD2-CD1 3.63Å; F513-F547 AromaticContact CD2-CE1 3.89Å; F513-F547 HydrophobicContact CD2-CE1 3.89Å; F513-F547 AromaticContact CE2-CD1 3.81Å; F513-F547 HydrophobicContact CE2-CD1 3.81Å; F513-F547 AromaticContact CE2-CE1 3.88Å; F513-F547 HydrophobicContact CE2-CE1 3.88Å; F513-F547 HydrophobicContact CG-CD1 4.43Å; F513-F547 HydrophobicContact CG-CE1 4.41Å; F513-F547 HydrophobicContact CZ-CE1 4.42Å; H543-F547 VanDerWaalsContact O-CB 3.26Å; H543-F547 WeakPolarHBondContact O-CB 3.27Å; H543-F547 PolarHBondContact O-N 3.07Å; L544-F547 PolarHBondContact O-N 3.04Å; F547-R549 VanDerWaalsContact C-N 3.35Å; F547-R549 PolarHBondContact O-N 2.92Å; F547-S550 PolarHBondContact O-N 2.79Å; F547-W551 AromaticContact CD2-CD1 3.69Å; F547-W551 AromaticContact CD2-NE1 3.88Å; F547-W551 AromaticContact CE1-CD1 3.84Å; F547-W551 HydrophobicContact CE1-CG 4.46Å; F547-W551 AromaticContact CE2-CD1 3.43Å; F547-W551 VanDerWaalsContact CE2-CD1 3.43Å; F547-W551 AromaticContact CE2-NE1 3.33Å; F547-W551 VanDerWaalsContact CE2-NE1 3.33Å; F547-W551 AromaticContact CZ-CD1 3.51Å; F547-W551 HydrophobicContact CZ-CG 4.29Å; F547-W551 AromaticContact CZ-NE1 3.67Å; F547-W551 PolarHBondContact O-N 2.81Å; F547-W551 VanDerWaalsContact O-N 3.09Å
548L97.9Very high97.7Very high2 Ų234.3 Ų34.31%0.0117%0.166CC..Hα-helixtrans-56.4-47174-75.7163.7000111.6F513 V516 L544 S550 W551 T552 L554 L556F513-L548 HydrophobicContact CD2-CD2 3.57Å; F513-L548 HydrophobicContact CD2-CG 4.09Å; F513-L548 HydrophobicContact CE2-CD2 3.55Å; F513-L548 HydrophobicContact CE2-CG 4.28Å; V516-L548 HydrophobicContact CB-CD1 3.93Å; V516-L548 HydrophobicContact CB-CD2 4.34Å; V516-L548 HydrophobicContact CG1-CD1 3.64Å; V516-L548 HydrophobicContact CG1-CD2 4.28Å; V516-L548 HydrophobicContact CG2-CD1 4.27Å; L544-L548 HydrophobicContact CD1-CD1 4Å; L544-L548 HydrophobicContact CD1-CG 4.29Å; L544-L548 HydrophobicContact CG-CD1 3.86Å; L544-L548 WeakPolarHBondContact O-CB 3.46Å; L544-L548 WeakPolarHBondContact O-CG 3.31Å; L544-L548 PolarHBondContact O-N 3.39Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 2.92Å; L548-W551 PolarHBondContact O-N 3.25Å; L548-T552 WeakPolarHBondContact O-CB 3.28Å; L548-T552 PolarHBondContact O-N 3.33Å; L548-T552 PolarHBondContact O-OG1 3.15Å; L548-L554 HydrophobicContact CD2-CD1 4Å; L548-L556 HydrophobicContact CB-CD1 4.34Å; L548-L556 HydrophobicContact CD1-CD1 4.02Å
549R96.6Very high97.7Very high132 Ų13235.4 Ų35.450%0.49817%0.171SC..Hα-helixtrans-62-36.5178.6178.6177174.6172.60.5112.6K209 S345 Y346 A545 S546 F547K209-R549 PolarHBondContact NZ-O 3.38Å; S345-R549 PolarHBondContact O-NH1 3.44Å; Y346-R549 HydrophobicContact CD1-CB 4.3Å; A545-R549 WeakPolarHBondContact O-CB 3.48Å; A545-R549 PolarHBondContact O-N 2.8Å; S546-R549 PolarHBondContact O-N 3.04Å; F547-R549 VanDerWaalsContact C-N 3.35Å; F547-R549 PolarHBondContact O-N 2.92Å
550S95.8Very high97.8Very high67 Ų6734.3 Ų34.347%0.46917%0.172SC..Hα-helixtrans-71-39.8-177.7-59.30000111.9S546 F547 L548S546-S550 WeakPolarHBondContact O-CB 3.47Å; S546-S550 PolarHBondContact O-N 3.07Å; S546-S550 PolarHBondContact O-OG 2.93Å; F547-S550 PolarHBondContact O-N 2.79Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 2.92Å
551W97.2Very high97.7Very high26 Ų2634.3 Ų34.310%0.09817%0.172CC..Hα-helixtrans-107.2-8.1-169.4-71.4106.2000115.3V198 K209 D213 W286 L287 F547 L548V198-W551 HydrophobicContact CG2-CZ3 4.1Å; K209-W551 PolarHBondContact N-O 2.83Å; D213-W551 HydrophobicContact CB-CH2 3.97Å; D213-W551 HydrophobicContact CB-CZ2 4.23Å; W286-W551 HydrophobicContact CH2-CB 4.41Å; W286-W551 AromaticContact CH2-CD2 3.44Å; W286-W551 HydrophobicContact CH2-CD2 3.44Å; W286-W551 VanDerWaalsContact CH2-CD2 3.44Å; W286-W551 AromaticContact CH2-CE2 3.56Å; W286-W551 AromaticContact CH2-CE3 3.66Å; W286-W551 HydrophobicContact CH2-CE3 3.66Å; W286-W551 AromaticContact CH2-CG 3.78Å; W286-W551 HydrophobicContact CH2-CG 3.78Å; W286-W551 HydrophobicContact CH2-CH2 4.03Å; W286-W551 AromaticContact CH2-CZ2 3.88Å; W286-W551 HydrophobicContact CH2-CZ2 3.88Å; W286-W551 AromaticContact CH2-CZ3 3.94Å; W286-W551 HydrophobicContact CH2-CZ3 3.94Å; W286-W551 HydrophobicContact CZ2-CD2 4.31Å; W286-W551 AromaticContact CZ2-CE2 3.99Å; W286-W551 HydrophobicContact CZ2-CH2 4.15Å; W286-W551 AromaticContact CZ2-CZ2 3.92Å; W286-W551 HydrophobicContact CZ2-CZ2 3.92Å; W286-W551 HydrophobicContact CZ2-CZ3 4.47Å; W286-W551 HydrophobicContact CZ3-CB 4.42Å; W286-W551 HydrophobicContact CZ3-CD2 4.26Å; W286-W551 HydrophobicContact CZ3-CE3 4.46Å; W286-W551 HydrophobicContact CZ3-CG 4.23Å; L287-W551 HydrophobicContact CD1-CZ3 4.34Å; L287-W551 HydrophobicContact CD2-CE3 4.09Å; L287-W551 HydrophobicContact CD2-CZ3 3.95Å; F547-W551 AromaticContact CD2-CD1 3.69Å; F547-W551 AromaticContact CD2-NE1 3.88Å; F547-W551 AromaticContact CE1-CD1 3.84Å; F547-W551 HydrophobicContact CE1-CG 4.46Å; F547-W551 AromaticContact CE2-CD1 3.43Å; F547-W551 VanDerWaalsContact CE2-CD1 3.43Å; F547-W551 AromaticContact CE2-NE1 3.33Å; F547-W551 VanDerWaalsContact CE2-NE1 3.33Å; F547-W551 AromaticContact CZ-CD1 3.51Å; F547-W551 HydrophobicContact CZ-CG 4.29Å; F547-W551 AromaticContact CZ-NE1 3.67Å; F547-W551 PolarHBondContact O-N 2.81Å; F547-W551 VanDerWaalsContact O-N 3.09Å; L548-W551 PolarHBondContact O-N 3.25Å
552T98.1Very high97.7Very high0 Ų035.6 Ų35.60%018%0.179CC..BIsolated β-bridgetrans-135.9154.9-175.578.20000113.2L207 K209 L290 F513 L548 L554L207-T552 HydrophobicContact CD2-CG2 3.87Å; L207-T552 CarbonylContact O-C 3.56Å; L207-T552 VanDerWaalsContact O-CA 3.23Å; L207-T552 WeakPolarHBondContact O-CA 3.28Å; K209-T552 WeakPolarHBondContact CD-O 3.27Å; K209-T552 WeakPolarHBondContact CE-O 3.34Å; K209-T552 PolarHBondContact NZ-O 2.98Å; L290-T552 HydrophobicContact CD1-CG2 4.14Å; L290-T552 HydrophobicContact CD2-CG2 4.47Å; F513-T552 HydrophobicContact CE2-CG2 4.13Å; F513-T552 HydrophobicContact CZ-CG2 4.05Å; L548-T552 WeakPolarHBondContact O-CB 3.28Å; L548-T552 PolarHBondContact O-N 3.33Å; L548-T552 PolarHBondContact O-OG1 3.15Å; T552-L554 HydrophobicContact CG2-CD1 4.31Å; T552-L554 PolarHBondContact O-N 3.03Å; T552-L554 WeakPolarHBondContact OG1-CB 3.45Å; T552-L554 WeakPolarHBondContact OG1-CG 3.39Å; T552-L554 PolarHBondContact OG1-N 2.63Å
553N97.6Very high97.7Very high61 Ų6140 Ų4033%0.32620%0.198SC..  trans-83.913170.3-66.6-42.2000112.7H206 L207 K209 L308H206-N553 PolarHBondContact O-ND2 3.48Å; L207-N553 PolarHBondContact O-N 2.82Å; K209-N553 WeakPolarHBondContact CE-OD1 3.37Å; K209-N553 WeakPolarHBondContact CG-OD1 3.29Å; L308-N553 HydrophobicContact CD1-CB 4.33Å; L308-N553 HydrophobicContact CD2-CB 4.3Å
554L98.2Very high97.7Very high17 Ų1737 Ų379%0.08918%0.184CC..  trans-64143.2179.7-63.9175.2000111.2L207 L308 R310 L517 L548 T552 L556L207-L554 HydrophobicContact CD1-CD2 3.96Å; L207-L554 HydrophobicContact CG-CD2 4.22Å; L207-L554 HydrophobicContact CG-CG 4.48Å; L308-L554 HydrophobicContact CD2-CD2 4.49Å; L308-L554 VanDerWaalsContact O-CA 3.31Å; L308-L554 WeakPolarHBondContact O-CA 3.34Å; L308-L554 WeakPolarHBondContact O-CD2 3.36Å; R310-L554 HydrophobicContact CG-CB 4.41Å; R310-L554 HydrophobicContact CG-CD1 4.09Å; R310-L554 HydrophobicContact CG-CD2 4Å; R310-L554 HydrophobicContact CG-CG 4.39Å; L517-L554 HydrophobicContact CD1-CD1 4.31Å; L548-L554 HydrophobicContact CD2-CD1 4Å; T552-L554 HydrophobicContact CG2-CD1 4.31Å; T552-L554 PolarHBondContact O-N 3.03Å; T552-L554 WeakPolarHBondContact OG1-CB 3.45Å; T552-L554 WeakPolarHBondContact OG1-CG 3.39Å; T552-L554 PolarHBondContact OG1-N 2.63Å; L554-L556 HydrophobicContact CB-CD2 4.19Å
555K98.3Very high97.7Very high122 Ų12236.7 Ų36.753%0.5318%0.183SC..EExtended strand (participates in β ladder)trans-107116.5172.1-59.7178.5-176.7175.30107.8L308 D309 R310 H557L308-K555 PolarHBondContact O-N 3.26Å; D309-K555 CarbonylContact C-O 3.29Å; D309-K555 WeakPolarHBondContact CA-O 3.45Å; R310-K555 PolarHBondContact N-O 2.89Å; K555-H557 WeakPolarHBondContact CB-NE2 3.31Å; K555-H557 PolarHBondContact O-CD2 2.89Å; K555-H557 VanDerWaalsContact O-CD2 3.31Å
556L98.6Very high97.7Very high14 Ų1441 Ų417%0.07320%0.202CC..EExtended strand (participates in β ladder)trans-97.9133.1-176-51.6-175.8000110R310 I347 S348 V516 L548 L554R310-L556 HydrophobicContact CB-CD2 3.67Å; R310-L556 HydrophobicContact CG-CD2 4.14Å; R310-L556 CarbonylContact O-C 3.49Å; R310-L556 WeakPolarHBondContact O-CA 3.42Å; I347-L556 WeakPolarHBondContact CA-O 3.5Å; I347-L556 HydrophobicContact CB-CB 4.15Å; I347-L556 HydrophobicContact CD1-CD1 4.47Å; I347-L556 HydrophobicContact CG1-CB 3.81Å; I347-L556 HydrophobicContact CG1-CD1 3.88Å; I347-L556 HydrophobicContact CG2-CB 4.03Å; S348-L556 PolarHBondContact N-O 2.76Å; V516-L556 HydrophobicContact CG1-CD2 4.19Å; L548-L556 HydrophobicContact CB-CD1 4.34Å; L548-L556 HydrophobicContact CD1-CD1 4.02Å; L554-L556 HydrophobicContact CB-CD2 4.19Å
557H98.3Very high97.7Very high47 Ų4742.4 Ų42.422%0.21820%0.203CC..EExtended strand (participates in β ladder)trans-135.2152.1-177.6-54.7-79.9000110.9D309 R310 H311 V312 S348 K555D309-H557 IonicContact OD1-CD2 3.99Å; D309-H557 IonicContact OD1-NE2 3.5Å; D309-H557 PolarHBondContact OD1-NE2 3.43Å; R310-H557 PolarHBondContact O-N 3.31Å; H311-H557 CarbonylContact C-O 3.47Å; H311-H557 WeakPolarHBondContact CA-O 3.16Å; V312-H557 PolarHBondContact N-O 3.35Å; S348-H557 PolarHBondContact OG-ND1 3.01Å; K555-H557 WeakPolarHBondContact CB-NE2 3.31Å; K555-H557 PolarHBondContact O-CD2 2.89Å; K555-H557 VanDerWaalsContact O-CD2 3.31Å
558T98.4Very high97.7Very high2 Ų241.6 Ų41.61%0.01220%0.2CC..  trans-116.1136.5164.4-61.90000108.6V312 L313 I347 S348 F350 W383V312-T558 WeakPolarHBondContact O-CB 3.34Å; V312-T558 PolarHBondContact O-OG1 3.43Å; L313-T558 HydrophobicContact CD1-CG2 4.36Å; I347-T558 WeakPolarHBondContact CG2-OG1 3.44Å; S348-T558 PolarHBondContact O-N 3.18Å; F350-T558 WeakPolarHBondContact CD2-OG1 3.49Å; W383-T558 HydrophobicContact CH2-CG2 3.88Å; W383-T558 HydrophobicContact CZ3-CG2 3.71Å
559L98Very high97.8Very high34 Ų3441.7 Ų41.718%0.17820%0.2CC..  trans-122.5147.6174.3-69.8174.4000109.1H311 Q563 L564 K567H311-L559 VanDerWaalsContact CD2-CD1 3.42Å; H311-L559 WeakPolarHBondContact CD2-CD1 3.27Å; L559-Q563 HydrophobicContact CB-CB 4.36Å; L559-L564 HydrophobicContact CB-CB 4.15Å; L559-L564 HydrophobicContact CB-CD1 4.3Å; L559-L564 HydrophobicContact CD1-CD1 4.38Å; L559-K567 HydrophobicContact CD1-CD 3.68Å
560P97.3Very high97.8Very high37 Ų3742.1 Ų42.124%0.2421%0.208CC..  trans-53.9144.3169.4-24.433.1000111W383 L562 Q563 L564W383-P560 HydrophobicContact CH2-CB 4.17Å; W383-P560 HydrophobicContact CH2-CG 3.81Å; W383-P560 VanDerWaalsContact CH2-N 3.31Å; W383-P560 HydrophobicContact CZ2-CB 4.27Å; W383-P560 HydrophobicContact CZ2-CG 3.74Å; P560-L562 PolarHBondContact O-N 3.26Å; P560-Q563 PolarHBondContact O-N 3.3Å; P560-L564 PolarHBondContact O-N 2.74Å
561P96.1Very high97.7Very high1 Ų143 Ų431%0.00621%0.206CC..Hα-helixtrans-51-38.6-172.3-30.834.8000115L313 Y425 L564 A565L313-P561 HydrophobicContact CD2-CG 4.11Å; Y425-P561 HydrophobicContact CD1-CB 4.09Å; Y425-P561 HydrophobicContact CD1-CG 3.86Å; Y425-P561 HydrophobicContact CD2-CB 3.73Å; Y425-P561 HydrophobicContact CD2-CG 4.41Å; Y425-P561 HydrophobicContact CE1-CG 4.43Å; Y425-P561 HydrophobicContact CE2-CB 4.34Å; Y425-P561 HydrophobicContact CG-CB 3.56Å; Y425-P561 HydrophobicContact CG-CG 3.83Å; P561-L564 PolarHBondContact O-N 2.78Å; P561-A565 WeakPolarHBondContact O-CB 3.41Å; P561-A565 PolarHBondContact O-N 3.3Å
562L97.2Very high97.6Very high33 Ų3342.8 Ų42.817%0.17321%0.206CC..Hα-helixtrans-65.2-45.3177.3-173.967000113.3R452 V453 M477 P560 L564 A565 H566R452-L562 HydrophobicContact CB-CD1 4.01Å; R452-L562 VanDerWaalsContact CZ-CD2 3.45Å; R452-L562 VanDerWaalsContact NH2-CD2 3.26Å; V453-L562 HydrophobicContact CG2-CB 4.46Å; V453-L562 HydrophobicContact CG2-CD1 3.69Å; M477-L562 HydrophobicContact CE-CD1 3.88Å; P560-L562 PolarHBondContact O-N 3.26Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L562-A565 PolarHBondContact O-N 3.23Å; L562-H566 PolarHBondContact O-CD2 3.29Å; L562-H566 PolarHBondContact O-N 2.71Å; L562-H566 VanDerWaalsContact O-N 3.12Å
563Q98.2Very high97.5Very high109 Ų10946.2 Ų46.251%0.50923%0.229SC..Hα-helixtrans-67.8-38.7177.6-61.7179.518.900110.5L559 P560 A565 H566 K567L559-Q563 HydrophobicContact CB-CB 4.36Å; P560-Q563 PolarHBondContact O-N 3.3Å; Q563-A565 VanDerWaalsContact C-N 3.32Å; Q563-A565 PolarHBondContact O-N 3.11Å; Q563-H566 PolarHBondContact O-N 2.82Å; Q563-K567 WeakPolarHBondContact O-CB 3.49Å; Q563-K567 PolarHBondContact O-N 3.24Å
564L98.2Very high97.3Very high1 Ų148.9 Ų48.91%0.00524%0.239CC..Hα-helixtrans-60.6-42.3175-169.464.2000111.4H311 L313 I521 I523 L559 P560 P561 L562 K567 Y568H311-L564 HydrophobicContact CB-CD1 3.46Å; H311-L564 VanDerWaalsContact CB-CD1 3.46Å; L313-L564 HydrophobicContact CB-CD2 4Å; L313-L564 HydrophobicContact CD2-CD2 4.14Å; I521-L564 HydrophobicContact CD1-CD1 4.06Å; I521-L564 HydrophobicContact CG1-CD1 4.15Å; I521-L564 HydrophobicContact CG2-CD1 3.75Å; I521-L564 HydrophobicContact CG2-CD2 4.07Å; I521-L564 HydrophobicContact CG2-CG 3.93Å; I523-L564 HydrophobicContact CD1-CD2 4.13Å; I523-L564 HydrophobicContact CG1-CD2 3.94Å; L559-L564 HydrophobicContact CB-CB 4.15Å; L559-L564 HydrophobicContact CB-CD1 4.3Å; L559-L564 HydrophobicContact CD1-CD1 4.38Å; P560-L564 PolarHBondContact O-N 2.74Å; P561-L564 PolarHBondContact O-N 2.78Å; L562-L564 VanDerWaalsContact C-N 3.32Å; L564-K567 PolarHBondContact O-N 3Å; L564-Y568 PolarHBondContact O-N 3.08Å
565A98.3Very high97.2Very high0 Ų048.9 Ų48.90%024%0.239CC..Hα-helixtrans-63.6-45177.200000112.7V453 M477 L479 P561 L562 Q563 K567 Y568 F569V453-A565 HydrophobicContact CB-CB 4.4Å; V453-A565 HydrophobicContact CG1-CB 3.8Å; V453-A565 HydrophobicContact CG2-CB 3.59Å; M477-A565 HydrophobicContact CB-CB 4.05Å; M477-A565 HydrophobicContact CE-CB 3.76Å; M477-A565 HydrophobicContact SD-CB 3.79Å; L479-A565 HydrophobicContact CD1-CB 3.87Å; L479-A565 HydrophobicContact CD2-CB 3.96Å; L479-A565 HydrophobicContact CG-CB 4.21Å; P561-A565 WeakPolarHBondContact O-CB 3.41Å; P561-A565 PolarHBondContact O-N 3.3Å; L562-A565 PolarHBondContact O-N 3.23Å; Q563-A565 VanDerWaalsContact C-N 3.32Å; Q563-A565 PolarHBondContact O-N 3.11Å; A565-K567 VanDerWaalsContact C-N 3.3Å; A565-K567 PolarHBondContact O-N 3.19Å; A565-Y568 WeakPolarHBondContact O-CB 3.46Å; A565-Y568 PolarHBondContact O-N 3.22Å; A565-F569 WeakPolarHBondContact O-CD2 3.15Å; A565-F569 PolarHBondContact O-N 3.47Å; A565-F569 VanDerWaalsContact O-N 3.09Å
566H98.3Very high97.1Very high93 Ų9348.7 Ų48.743%0.43124%0.235SC..Hα-helixtrans-60-42.6174.5-71.9-47000111.7M477 L562 Q563 Y568 F569 Q570M477-H566 VanDerWaalsContact CE-CE1 3.46Å; M477-H566 WeakPolarHBondContact CE-CE1 3.3Å; L562-H566 PolarHBondContact O-CD2 3.29Å; L562-H566 PolarHBondContact O-N 2.71Å; L562-H566 VanDerWaalsContact O-N 3.12Å; Q563-H566 PolarHBondContact O-N 2.82Å; H566-Y568 VanDerWaalsContact C-N 3.35Å; H566-Y568 PolarHBondContact O-N 3.37Å; H566-F569 PolarHBondContact O-N 3.28Å; H566-Q570 VanDerWaalsContact O-CG 3.24Å; H566-Q570 WeakPolarHBondContact O-CG 3.38Å; H566-Q570 PolarHBondContact O-N 3.43Å
567K98.1Very high96.8Very high68 Ų6852.2 Ų52.230%0.29625%0.254SS..Hα-helixtrans-62.8-41.2175.9-167.1164.3-166.2160.30111.9H311 I521 L559 Q563 L564 A565 Q570 L571H311-K567 WeakPolarHBondContact CE1-CE 3.48Å; H311-K567 PolarHBondContact CE1-NZ 2.94Å; H311-K567 VanDerWaalsContact NE2-CE 3.34Å; H311-K567 WeakPolarHBondContact NE2-CE 3.43Å; H311-K567 PolarHBondContact NE2-NZ 3.22Å; I521-K567 HydrophobicContact CD1-CB 4.4Å; I521-K567 HydrophobicContact CD1-CG 4.42Å; L559-K567 HydrophobicContact CD1-CD 3.68Å; Q563-K567 WeakPolarHBondContact O-CB 3.49Å; Q563-K567 PolarHBondContact O-N 3.24Å; L564-K567 PolarHBondContact O-N 3Å; A565-K567 VanDerWaalsContact C-N 3.3Å; A565-K567 PolarHBondContact O-N 3.19Å; K567-Q570 WeakPolarHBondContact O-CB 3.45Å; K567-Q570 PolarHBondContact O-N 2.89Å; K567-L571 HydrophobicContact CG-CD1 4.44Å; K567-L571 WeakPolarHBondContact O-CG 3.31Å; K567-L571 PolarHBondContact O-N 3.11Å
568Y98.1Very high96.7Very high8 Ų850.2 Ų50.23%0.03125%0.245CC..Hα-helixtrans-57.7-51.9176.1-174.7-89000112K469 G470 L479 P480 I521 L564 A565 H566 Q570 L571 F572 Q575K469-Y568 WeakPolarHBondContact CA-OH 3.17Å; G470-Y568 PolarHBondContact N-OH 3.13Å; L479-Y568 HydrophobicContact CD2-CD1 3.9Å; L479-Y568 HydrophobicContact CD2-CG 3.8Å; P480-Y568 HydrophobicContact CG-CE2 3.59Å; P480-Y568 WeakPolarHBondContact CG-OH 3.28Å; I521-Y568 HydrophobicContact CB-CD2 4.35Å; I521-Y568 HydrophobicContact CD1-CD2 3.98Å; I521-Y568 HydrophobicContact CD1-CG 4.36Å; I521-Y568 HydrophobicContact CG2-CD2 4.49Å; L564-Y568 PolarHBondContact O-N 3.08Å; A565-Y568 WeakPolarHBondContact O-CB 3.46Å; A565-Y568 PolarHBondContact O-N 3.22Å; H566-Y568 VanDerWaalsContact C-N 3.35Å; H566-Y568 PolarHBondContact O-N 3.37Å; Y568-Q570 PolarHBondContact O-N 2.98Å; Y568-L571 PolarHBondContact O-N 3.24Å; Y568-L571 VanDerWaalsContact O-N 3.11Å; Y568-F572 HydrophobicContact CD1-CD2 4.31Å; Y568-F572 AromaticContact CD2-CD2 3.85Å; Y568-F572 HydrophobicContact CD2-CD2 3.85Å; Y568-F572 HydrophobicContact CD2-CE2 4.08Å; Y568-F572 HydrophobicContact CE1-CB 4.35Å; Y568-F572 HydrophobicContact CE1-CD2 4.09Å; Y568-F572 AromaticContact CE2-CD2 3.59Å; Y568-F572 HydrophobicContact CE2-CD2 3.59Å; Y568-F572 AromaticContact CE2-CE2 3.79Å; Y568-F572 HydrophobicContact CE2-CE2 3.79Å; Y568-F572 HydrophobicContact CG-CD2 4.19Å; Y568-F572 AromaticContact CZ-CD2 3.72Å; Y568-F572 WeakPolarHBondContact O-CD2 3.32Å; Y568-F572 PolarHBondContact O-N 3.02Å; Y568-Q575 PolarHBondContact OH-OE1 3.32Å
569F98Very high96.6Very high4 Ų451.2 Ų51.22%0.01825%0.25CS..Hα-helixtrans-79.3-2.1-180-68.2-67.9000114.7F471 I472 M477 L479 A565 H566 R576F471-F569 WeakPolarHBondContact O-CZ 3.31Å; I472-F569 HydrophobicContact CD1-CD1 4.4Å; I472-F569 HydrophobicContact CD1-CD2 4.26Å; I472-F569 HydrophobicContact CD1-CE1 4.47Å; I472-F569 HydrophobicContact CD1-CE2 4.35Å; I472-F569 HydrophobicContact CD1-CG 4.28Å; I472-F569 HydrophobicContact CD1-CZ 4.45Å; I472-F569 HydrophobicContact CG1-CD1 4.42Å; I472-F569 HydrophobicContact CG1-CD2 4.35Å; I472-F569 HydrophobicContact CG1-CE1 4Å; I472-F569 HydrophobicContact CG1-CE2 3.95Å; I472-F569 HydrophobicContact CG1-CZ 3.75Å; M477-F569 HydrophobicContact CB-CD2 4.26Å; M477-F569 HydrophobicContact CB-CE2 3.68Å; M477-F569 HydrophobicContact CG-CD2 3.84Å; M477-F569 HydrophobicContact CG-CE2 3.68Å; M477-F569 HydrophobicContact SD-CD2 3.76Å; M477-F569 HydrophobicContact SD-CE2 4.18Å; L479-F569 HydrophobicContact CD2-CE2 3.95Å; A565-F569 WeakPolarHBondContact O-CD2 3.15Å; A565-F569 PolarHBondContact O-N 3.47Å; A565-F569 VanDerWaalsContact O-N 3.09Å; H566-F569 PolarHBondContact O-N 3.28Å; F569-R576 HydrophobicContact CB-CG 4.21Å; F569-R576 HydrophobicContact CD1-CB 4.38Å; F569-R576 HydrophobicContact CD1-CG 3.56Å; F569-R576 HydrophobicContact CE1-CG 4.27Å; F569-R576 HydrophobicContact CG-CG 4.13Å; F569-R576 PolarHBondContact O-NE 3.29Å; F569-R576 PolarHBondContact O-NH2 3.46Å; F569-R576 VanDerWaalsContact O-NH2 3.14Å
570Q97.2Very high96.5Very high141 Ų14149.7 Ų49.766%0.65924%0.242SC*.Hα-helixtrans-82.6-40.4162.1-76.8171.12.400110.9H566 K567 Y568H566-Q570 VanDerWaalsContact O-CG 3.24Å; H566-Q570 WeakPolarHBondContact O-CG 3.38Å; H566-Q570 PolarHBondContact O-N 3.43Å; K567-Q570 WeakPolarHBondContact O-CB 3.45Å; K567-Q570 PolarHBondContact O-N 2.89Å; Y568-Q570 PolarHBondContact O-N 2.98Å
571L95Very high96.4Very high84 Ų8449.4 Ų49.444%0.4424%0.237SC..Hα-helixtrans-72.7-35.3176.5-67.4173.3000112.5P520 I521 K567 Y568 P573P520-L571 HydrophobicContact CB-CD1 3.93Å; I521-L571 HydrophobicContact CD1-CD1 4.08Å; I521-L571 HydrophobicContact CG1-CD1 4.38Å; K567-L571 HydrophobicContact CG-CD1 4.44Å; K567-L571 WeakPolarHBondContact O-CG 3.31Å; K567-L571 PolarHBondContact O-N 3.11Å; Y568-L571 PolarHBondContact O-N 3.24Å; Y568-L571 VanDerWaalsContact O-N 3.11Å; L571-P573 VanDerWaalsContact C-CD 3.5Å; L571-P573 WeakPolarHBondContact O-CD 3.43Å
572F95.1Very high96.3Very high22 Ų2250.3 Ų50.310%0.09624%0.242CC..  trans-12765.7-174.8-53.3-68.9000111.9H106 P520 Y568 E574 Q575H106-F572 AromaticContact CD2-CE1 3.62Å; H106-F572 AromaticContact NE2-CE1 3.88Å; P520-F572 HydrophobicContact CG-CZ 4.23Å; Y568-F572 HydrophobicContact CD1-CD2 4.31Å; Y568-F572 AromaticContact CD2-CD2 3.85Å; Y568-F572 HydrophobicContact CD2-CD2 3.85Å; Y568-F572 HydrophobicContact CD2-CE2 4.08Å; Y568-F572 HydrophobicContact CE1-CB 4.35Å; Y568-F572 HydrophobicContact CE1-CD2 4.09Å; Y568-F572 AromaticContact CE2-CD2 3.59Å; Y568-F572 HydrophobicContact CE2-CD2 3.59Å; Y568-F572 AromaticContact CE2-CE2 3.79Å; Y568-F572 HydrophobicContact CE2-CE2 3.79Å; Y568-F572 HydrophobicContact CG-CD2 4.19Å; Y568-F572 AromaticContact CZ-CD2 3.72Å; Y568-F572 WeakPolarHBondContact O-CD2 3.32Å; Y568-F572 PolarHBondContact O-N 3.02Å; F572-E574 VanDerWaalsContact C-OE2 3.29Å; F572-E574 WeakPolarHBondContact CA-OE2 3.39Å; F572-E574 PolarHBondContact O-N 3.18Å; F572-Q575 HydrophobicContact CB-CB 4.15Å; F572-Q575 HydrophobicContact CB-CG 3.94Å; F572-Q575 PolarHBondContact O-N 3.27Å; F572-Q575 VanDerWaalsContact O-N 3.15Å
573P96.1Very high96.2Very high72 Ų7248.7 Ų48.747%0.46823%0.234SC..G310 helixtrans-62.4-29.9-176.626.4-35.3000113.5L571 Q575 R576L571-P573 VanDerWaalsContact C-CD 3.5Å; L571-P573 WeakPolarHBondContact O-CD 3.43Å; P573-Q575 PolarHBondContact O-N 3.07Å; P573-R576 VanDerWaalsContact O-CG 3.3Å; P573-R576 WeakPolarHBondContact O-CG 3.21Å; P573-R576 PolarHBondContact O-N 3Å
574E93.1Very high95.8Very high117 Ų11745 Ų4555%0.54722%0.219SC..G310 helixtrans-67.2-22.9177.575.7-67.9165.500113.1F572 R576F572-E574 VanDerWaalsContact C-OE2 3.29Å; F572-E574 WeakPolarHBondContact CA-OE2 3.39Å; F572-E574 PolarHBondContact O-N 3.18Å; E574-R576 VanDerWaalsContact C-N 3.3Å; E574-R576 PolarHBondContact O-N 3.41Å
575Q95.1Very high95.6Very high17 Ų1748.5 Ų48.58%0.07924%0.238CC..G310 helixtrans-86.1-0.3-177.9-58.9-176.730.200112.9K469 G470 F471 Y568 F572 P573 N577K469-Q575 HydrophobicContact CB-CG 4.48Å; G470-Q575 CarbonylContact C-O 3.49Å; F471-Q575 VanDerWaalsContact CA-O 3.3Å; F471-Q575 WeakPolarHBondContact CA-O 3.32Å; Y568-Q575 PolarHBondContact OH-OE1 3.32Å; F572-Q575 HydrophobicContact CB-CB 4.15Å; F572-Q575 HydrophobicContact CB-CG 3.94Å; F572-Q575 PolarHBondContact O-N 3.27Å; F572-Q575 VanDerWaalsContact O-N 3.15Å; P573-Q575 PolarHBondContact O-N 3.07Å; Q575-N577 PolarHBondContact O-N 2.89Å
576R95.8Very high95.3Very high118 Ų11849.9 Ų49.945%0.44525%0.246SC..G310 helixtrans-60.7-37.1174.9-68.9177.6-178.9-151.3-0.3112.3I472 F569 P573 E574I472-R576 HydrophobicContact CD1-CB 4.12Å; I472-R576 HydrophobicContact CD1-CG 3.92Å; I472-R576 HydrophobicContact CG1-CB 4.45Å; I472-R576 PolarHBondContact N-O 3.47Å; F569-R576 HydrophobicContact CB-CG 4.21Å; F569-R576 HydrophobicContact CD1-CB 4.38Å; F569-R576 HydrophobicContact CD1-CG 3.56Å; F569-R576 HydrophobicContact CE1-CG 4.27Å; F569-R576 HydrophobicContact CG-CG 4.13Å; F569-R576 PolarHBondContact O-NE 3.29Å; F569-R576 PolarHBondContact O-NH2 3.46Å; F569-R576 VanDerWaalsContact O-NH2 3.14Å; P573-R576 VanDerWaalsContact O-CG 3.3Å; P573-R576 WeakPolarHBondContact O-CG 3.21Å; P573-R576 PolarHBondContact O-N 3Å; E574-R576 VanDerWaalsContact C-N 3.3Å; E574-R576 PolarHBondContact O-N 3.41Å
577N94.1Very high95.1Very high89 Ų8953.3 Ų53.348%0.47626%0.259SS..SBendtrans-86.3125.2-177.4-64.2-45.6000109.9Q575 H650Q575-N577 PolarHBondContact O-N 2.89Å; N577-H650 PolarHBondContact OD1-CE1 3.43Å
578P95.3Very high94.9Very high5 Ų553.6 Ų53.63%0.03226%0.258CS..  trans-65158.6176.826.7-32.6000111.1F471 W580 Y649F471-P578 HydrophobicContact CB-CB 4.06Å; F471-P578 HydrophobicContact CD2-CB 3.99Å; F471-P578 HydrophobicContact CG-CB 4.26Å; P578-W580 HydrophobicContact CB-CD2 3.96Å; P578-W580 HydrophobicContact CB-CE3 3.8Å; P578-W580 HydrophobicContact CB-CH2 3.33Å; P578-W580 HydrophobicContact CB-CZ2 3.49Å; P578-W580 VanDerWaalsContact CB-CZ2 3.49Å; P578-W580 HydrophobicContact CB-CZ3 3.48Å; P578-W580 VanDerWaalsContact CB-CZ3 3.48Å; P578-W580 HydrophobicContact CG-CD2 4.34Å; P578-W580 HydrophobicContact CG-CH2 3.49Å; P578-W580 VanDerWaalsContact CG-CH2 3.49Å; P578-W580 HydrophobicContact CG-CZ2 3.18Å; P578-W580 HydrophobicContact CG-CZ3 4.16Å; P578-Y649 VanDerWaalsContact O-CE1 3.31Å; P578-Y649 WeakPolarHBondContact O-CE1 3.42Å
579L95.5Very high94.7Very high23 Ų2353.2 Ų53.212%0.1226%0.257CS..  trans-129.691168-177.570.1000107.3Y459 Q581 Y649 R686 R687 A690Y459-L579 PolarHBondContact OH-N 3.49Å; L579-Q581 PolarHBondContact O-N 3.38Å; L579-Q581 VanDerWaalsContact O-N 3.15Å; L579-Q581 PolarHBondContact O-NE2 2.78Å; L579-Y649 WeakPolarHBondContact CA-OH 3.22Å; L579-R686 HydrophobicContact CD1-CG 4.23Å; L579-R687 HydrophobicContact CD1-CG 4.22Å; L579-A690 HydrophobicContact CD1-CB 3.78Å; L579-A690 HydrophobicContact CD2-CB 4.2Å; L579-A690 HydrophobicContact CG-CB 3.75Å
580W96.5Very high94.5Very high1 Ų158.7 Ų58.70%0.00428%0.281CS..  trans-59.6113.7-177.1-52.6134.8000110.9Y435 V437 F471 H473 P578 F643 Y649 I653 A690 L691Y435-W580 HydrophobicContact CE2-CE3 4.06Å; Y435-W580 HydrophobicContact CE2-CZ3 4.29Å; V437-W580 HydrophobicContact CG2-CH2 4.11Å; V437-W580 HydrophobicContact CG2-CZ3 3.88Å; F471-W580 HydrophobicContact CD2-CH2 4.19Å; F471-W580 HydrophobicContact CD2-CZ3 4.24Å; F471-W580 HydrophobicContact CE2-CH2 4.05Å; F471-W580 AromaticContact CE2-CZ3 3.96Å; F471-W580 HydrophobicContact CE2-CZ3 3.96Å; H473-W580 HydrophobicContact CB-CH2 4.19Å; H473-W580 AromaticContact ND1-CH2 3.87Å; H473-W580 AromaticContact ND1-CZ2 3.92Å; P578-W580 HydrophobicContact CB-CD2 3.96Å; P578-W580 HydrophobicContact CB-CE3 3.8Å; P578-W580 HydrophobicContact CB-CH2 3.33Å; P578-W580 HydrophobicContact CB-CZ2 3.49Å; P578-W580 VanDerWaalsContact CB-CZ2 3.49Å; P578-W580 HydrophobicContact CB-CZ3 3.48Å; P578-W580 VanDerWaalsContact CB-CZ3 3.48Å; P578-W580 HydrophobicContact CG-CD2 4.34Å; P578-W580 HydrophobicContact CG-CH2 3.49Å; P578-W580 VanDerWaalsContact CG-CH2 3.49Å; P578-W580 HydrophobicContact CG-CZ2 3.18Å; P578-W580 HydrophobicContact CG-CZ3 4.16Å; W580-F643 AromaticContact CD1-CZ 3.84Å; W580-Y649 AromaticContact CD1-CD2 3.93Å; W580-Y649 AromaticContact CD1-CE1 3.85Å; W580-Y649 AromaticContact CD1-CE2 3.34Å; W580-Y649 AromaticContact CD1-CZ 3.29Å; W580-Y649 HydrophobicContact CG-CE2 4.28Å; W580-Y649 AromaticContact CG-CZ 3.96Å; W580-Y649 PolarHBondContact N-OH 3.01Å; W580-Y649 AromaticContact NE1-CE1 3.89Å; W580-Y649 AromaticContact NE1-CE2 4Å; W580-Y649 AromaticContact NE1-CZ 3.83Å; W580-Y649 PolarHBondContact NE1-O 3.48Å; W580-I653 HydrophobicContact CB-CD1 3.98Å; W580-I653 HydrophobicContact CB-CG1 3.82Å; W580-I653 HydrophobicContact CD2-CG1 4.4Å; W580-I653 HydrophobicContact CG-CD1 4.49Å; W580-I653 HydrophobicContact CG-CG1 3.96Å; W580-A690 CarbonylContact O-C 3.43Å; W580-A690 VanDerWaalsContact O-C 3.3Å; W580-A690 WeakPolarHBondContact O-CB 3.45Å; W580-L691 PolarHBondContact O-N 3.12Å
581Q95.5Very high94.3Very high31 Ų3156.5 Ų56.515%0.14527%0.274CS..  trans-81.1160.8169.7-53.8-55.4-53.200110Y435 P460 L579 P583 A690Y435-Q581 WeakPolarHBondContact OH-CB 3.39Å; Y435-Q581 WeakPolarHBondContact OH-CG 3.31Å; Y435-Q581 PolarHBondContact OH-N 3.24Å; P460-Q581 HydrophobicContact CB-CG 3.78Å; L579-Q581 PolarHBondContact O-N 3.38Å; L579-Q581 VanDerWaalsContact O-N 3.15Å; L579-Q581 PolarHBondContact O-NE2 2.78Å; Q581-P583 WeakPolarHBondContact O-CD 3.32Å; Q581-A690 CarbonylContact C-O 3.47Å; Q581-A690 VanDerWaalsContact CA-O 3.31Å; Q581-A690 WeakPolarHBondContact CA-O 2.89Å
582N94.9Very high94.2Very high20 Ų2052.7 Ų52.711%0.10725%0.253CS..  trans-69.6110.6169.6-169.3-7.6000111C584 D585 A690 L691N582-C584 PolarHBondContact O-N 3.15Å; N582-C584 VanDerWaalsContact OD1-CB 3.22Å; N582-C584 WeakPolarHBondContact OD1-CB 3.17Å; N582-C584 PolarHBondContact OD1-N 3.3Å; N582-C584 VanDerWaalsContact OD1-N 3.11Å; N582-D585 HydrophobicContact CB-CB 4.37Å; N582-D585 WeakPolarHBondContact CB-OD2 3.46Å; N582-D585 PolarHBondContact ND2-OD2 3.25Å; N582-D585 PolarHBondContact O-N 3.34Å; N582-A690 PolarHBondContact N-O 3.07Å; N582-L691 VanDerWaalsContact CB-O 3.22Å; N582-L691 WeakPolarHBondContact CB-O 3.34Å
583P93.2Very high94.1Very high0 Ų052.3 Ų52.30%025%0.251CS..THydrogen-bonded Turntrans-61.2-18.3179-22.736.3000113.4P436 Q581 D586 H589 K590 W593 I653P436-P583 HydrophobicContact CB-CB 4.29Å; P436-P583 HydrophobicContact CB-CG 4.14Å; P436-P583 HydrophobicContact CG-CB 3.82Å; P436-P583 HydrophobicContact CG-CG 4.16Å; Q581-P583 WeakPolarHBondContact O-CD 3.32Å; P583-D586 VanDerWaalsContact O-O 3.11Å; P583-H589 HydrophobicContact CB-CB 4.37Å; P583-K590 PolarHBondContact O-N 3.25Å; P583-W593 HydrophobicContact CB-CD2 4.22Å; P583-W593 HydrophobicContact CB-CE3 4.42Å; P583-W593 HydrophobicContact CG-CZ2 4.23Å; P583-I653 HydrophobicContact CG-CD1 3.91Å
584C91.7Very high93.7Very high30 Ų3049 Ų4920%0.20323%0.23CC..THydrogen-bonded Turntrans-84.3-19.7-175.5-60.70000114.5N582 D586 C599N582-C584 PolarHBondContact O-N 3.15Å; N582-C584 VanDerWaalsContact OD1-CB 3.22Å; N582-C584 WeakPolarHBondContact OD1-CB 3.17Å; N582-C584 PolarHBondContact OD1-N 3.3Å; N582-C584 VanDerWaalsContact OD1-N 3.11Å; C584-D586 VanDerWaalsContact C-N 3.3Å; C584-C599 HydrophobicContact CB-CB 3.76Å; C584-C599 WeakPolarHBondContact CB-SG 3.41Å; C584-C599 WeakPolarHBondContact SG-CA 3.4Å; C584-C599 WeakPolarHBondContact SG-CB 3.34Å; C584-C599 CovalentContact SG-SG 2.01Å; C584-C599 PolarHBondContact SG-SG 2.9Å
585D92.4Very high93.4Very high76 Ų7652 Ų5241%0.40624%0.241SC..SBendtrans-86.2-6.1177.9-69.3-41.1000111.9N582 P693 K694N582-D585 HydrophobicContact CB-CB 4.37Å; N582-D585 WeakPolarHBondContact CB-OD2 3.46Å; N582-D585 PolarHBondContact ND2-OD2 3.25Å; N582-D585 PolarHBondContact O-N 3.34Å; D585-P693 VanDerWaalsContact OD2-CG 3.25Å; D585-P693 WeakPolarHBondContact OD2-CG 3.26Å; D585-K694 IonicContact OD1-NZ 3.7Å; D585-K694 PolarHBondContact OD1-NZ 3.3Å
586D92.8Very high92.9Very high29 Ų2956.6 Ų56.616%0.15526%0.263CS..  trans-119.8118.1177.5-170.7-44.9000110.1H461 P583 C584 R588 H589 K590H461-D586 IonicContact CE1-OD2 2.7Å; H461-D586 IonicContact CG-OD2 3.94Å; H461-D586 IonicContact ND1-OD2 3.16Å; H461-D586 PolarHBondContact ND1-OD2 3.46Å; P583-D586 VanDerWaalsContact O-O 3.11Å; C584-D586 VanDerWaalsContact C-N 3.3Å; D586-R588 VanDerWaalsContact C-N 3.28Å; D586-R588 PolarHBondContact O-N 2.96Å; D586-R588 WeakPolarHBondContact OD1-CB 3.27Å; D586-R588 PolarHBondContact OD1-N 3.18Å; D586-H589 HydrophobicContact CB-CB 3.96Å; D586-H589 WeakPolarHBondContact CB-ND1 3.4Å; D586-H589 PolarHBondContact O-N 3.39Å; D586-H589 PolarHBondContact OD1-N 3.13Å; D586-H589 IonicContact OD2-CE1 3.96Å; D586-H589 IonicContact OD2-ND1 3.74Å; D586-H589 IonicContact OD2-NE2 2.64Å; D586-K590 PolarHBondContact O-N 2.93Å
587K93.5Very high92.6Very high164 Ų16452.7 Ų52.771%0.71325%0.249SC*.Hα-helixtrans-57.6-42.9-179.2-178.4-179.2176.5-176.40111.5K590 D591K587-K590 PolarHBondContact O-N 3.5Å; K587-D591 PolarHBondContact O-N 3.09Å
588R93.3Very high92.2Very high74 Ų7450.5 Ų50.528%0.27924%0.239SC..Hα-helixtrans-66.1-44.8-177.3173.958.9178168.33.8110.3H430 E458 L462 D586 K590 D591 I592H430-R588 PolarHBondContact O-NH2 3.08Å; E458-R588 IonicContact OE1-CZ 3.02Å; E458-R588 IonicContact OE1-NE 3.68Å; E458-R588 PolarHBondContact OE1-NE 3.4Å; E458-R588 IonicContact OE1-NH2 3.07Å; E458-R588 PolarHBondContact OE1-NH2 3.3Å; E458-R588 WeakPolarHBondContact OE2-CG 3.45Å; L462-R588 HydrophobicContact CD2-CG 4.48Å; D586-R588 VanDerWaalsContact C-N 3.28Å; D586-R588 PolarHBondContact O-N 2.96Å; D586-R588 WeakPolarHBondContact OD1-CB 3.27Å; D586-R588 PolarHBondContact OD1-N 3.18Å; R588-K590 VanDerWaalsContact C-N 3.33Å; R588-K590 PolarHBondContact O-N 3.37Å; R588-D591 PolarHBondContact O-N 3.4Å; R588-I592 WeakPolarHBondContact O-CG1 3.21Å; R588-I592 PolarHBondContact O-N 3Å
589H95.1Very high91.8Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-61.5-42.2176.8-68.6165.1000112.2Y435 P436 E458 P460 H461 P583 D586 D591 I592 W593Y435-H589 AromaticContact CD1-CE1 3.95Å; Y435-H589 AromaticContact CD1-NE2 3.83Å; Y435-H589 AromaticContact CE1-CE1 3.52Å; Y435-H589 AromaticContact CE1-ND1 3.9Å; Y435-H589 AromaticContact CE1-NE2 3.89Å; P436-H589 HydrophobicContact CG-CB 3.61Å; E458-H589 PolarHBondContact O-CE1 3.25Å; E458-H589 PolarHBondContact O-NE2 3.2Å; E458-H589 IonicContact OE2-CD2 3.25Å; E458-H589 IonicContact OE2-NE2 2.87Å; P460-H589 PolarHBondContact O-CE1 3.36Å; H461-H589 AromaticContact ND1-CE1 3.72Å; P583-H589 HydrophobicContact CB-CB 4.37Å; D586-H589 HydrophobicContact CB-CB 3.96Å; D586-H589 WeakPolarHBondContact CB-ND1 3.4Å; D586-H589 PolarHBondContact O-N 3.39Å; D586-H589 PolarHBondContact OD1-N 3.13Å; D586-H589 IonicContact OD2-CE1 3.96Å; D586-H589 IonicContact OD2-ND1 3.74Å; D586-H589 IonicContact OD2-NE2 2.64Å; H589-D591 VanDerWaalsContact C-N 3.33Å; H589-D591 PolarHBondContact O-N 3.46Å; H589-I592 CarbonylContact O-C 3.58Å; H589-I592 PolarHBondContact O-N 3.3Å; H589-W593 WeakPolarHBondContact O-CB 3.32Å; H589-W593 PolarHBondContact O-N 2.93Å; H589-W593 VanDerWaalsContact O-N 3.08Å
590K93.3Very high91.4Very high119 Ų11955.6 Ų55.652%0.51727%0.269SS..Hα-helixtrans-60.9-41.2175.4-170.6177.7-178.7177.90112.2P583 D586 K587 R588 I592 W593P583-K590 PolarHBondContact O-N 3.25Å; D586-K590 PolarHBondContact O-N 2.93Å; K587-K590 PolarHBondContact O-N 3.5Å; R588-K590 VanDerWaalsContact C-N 3.33Å; R588-K590 PolarHBondContact O-N 3.37Å; K590-I592 VanDerWaalsContact C-N 3.27Å; K590-I592 PolarHBondContact O-N 3.2Å; K590-W593 PolarHBondContact O-N 3.47Å
591D93.3Very high91.1Very high96 Ų9658 Ų5851%0.51328%0.278SS..Hα-helixtrans-66.1-28.3180-68.9-18.9000112.8K587 R588 H589K587-D591 PolarHBondContact O-N 3.09Å; R588-D591 PolarHBondContact O-N 3.4Å; H589-D591 VanDerWaalsContact C-N 3.33Å; H589-D591 PolarHBondContact O-N 3.46Å
592I93.6Very high91Very high3 Ų357.1 Ų57.12%0.01527%0.274CS..THydrogen-bonded Turntrans-10615.6178.370-178.6000113.6H395 E458 R588 H589 K590H395-I592 WeakPolarHBondContact CB-O 3.42Å; H395-I592 PolarHBondContact ND1-O 3.39Å; E458-I592 HydrophobicContact CG-CD1 3.88Å; R588-I592 WeakPolarHBondContact O-CG1 3.21Å; R588-I592 PolarHBondContact O-N 3Å; H589-I592 CarbonylContact O-C 3.58Å; H589-I592 PolarHBondContact O-N 3.3Å; K590-I592 VanDerWaalsContact C-N 3.27Å; K590-I592 PolarHBondContact O-N 3.2Å
593W91.8Very high91Very high14 Ų1456.4 Ų56.45%0.05327%0.27CS..SBendtrans-94.9151.5173.8-154.738.1000110.2H395 P583 H589 K590 K595 K597 M657H395-W593 PolarHBondContact CD2-O 3.23Å; P583-W593 HydrophobicContact CB-CD2 4.22Å; P583-W593 HydrophobicContact CB-CE3 4.42Å; P583-W593 HydrophobicContact CG-CZ2 4.23Å; H589-W593 WeakPolarHBondContact O-CB 3.32Å; H589-W593 PolarHBondContact O-N 2.93Å; H589-W593 VanDerWaalsContact O-N 3.08Å; K590-W593 PolarHBondContact O-N 3.47Å; W593-K595 PolarHBondContact O-N 3.08Å; W593-K597 HydrophobicContact CD2-CB 3.76Å; W593-K597 HydrophobicContact CD2-CD 4.04Å; W593-K597 HydrophobicContact CE3-CB 3.83Å; W593-K597 HydrophobicContact CG-CD 4.29Å; W593-K597 HydrophobicContact CH2-CB 3.71Å; W593-K597 HydrophobicContact CZ2-CB 3.63Å; W593-K597 HydrophobicContact CZ2-CD 3.74Å; W593-K597 HydrophobicContact CZ2-CG 4.25Å; W593-K597 HydrophobicContact CZ3-CB 3.81Å; W593-M657 HydrophobicContact CH2-CE 3.61Å; W593-M657 HydrophobicContact CH2-SD 3.76Å; W593-M657 HydrophobicContact CZ2-CE 3.93Å; W593-M657 HydrophobicContact CZ2-SD 3.52Å; W593-M657 VanDerWaalsContact CZ2-SD 3.52Å
594S88.9Confident91.1Very high3 Ų360.2 Ų60.22%0.02129%0.287CS..  trans-62.1135.1178.5168.50000110.3E596 K597S594-E596 PolarHBondContact O-N 3.23Å; S594-E596 VanDerWaalsContact O-N 3.17Å; S594-E596 PolarHBondContact OG-N 3.04Å; S594-K597 WeakPolarHBondContact O-CB 3.22Å; S594-K597 PolarHBondContact O-N 3.45Å
595K87Confident91.4Very high180 Ų18058.8 Ų58.878%0.78328%0.277SS*.THydrogen-bonded Turntrans-64.2-17.6178.7-66.8-175.3179.5177.40113.7W593 K597W593-K595 PolarHBondContact O-N 3.08Å; K595-K597 PolarHBondContact O-N 2.82Å
596E84.1Confident91.7Very high114 Ų11455.2 Ų55.253%0.53326%0.258SS..THydrogen-bonded Turntrans-74.9-14.1174.5-62.7174.9-17400112.5H398 S594H398-E596 WeakPolarHBondContact CB-OE1 3.22Å; H398-E596 IonicContact CE1-OE1 3.4Å; H398-E596 IonicContact CG-OE1 3.28Å; H398-E596 IonicContact ND1-OE1 3.91Å; H398-E596 PolarHBondContact ND1-OE1 3Å; S594-E596 PolarHBondContact O-N 3.23Å; S594-E596 VanDerWaalsContact O-N 3.17Å; S594-E596 PolarHBondContact OG-N 3.04Å
597K88.1Confident92Very high35 Ų3553.8 Ų53.815%0.15225%0.251CS..  trans-97.1134.2178.9-58.6178.3-175.8-178.10109.1V437 W593 S594 K595 D654 M657V437-K597 PolarHBondContact O-NZ 3.22Å; W593-K597 HydrophobicContact CD2-CB 3.76Å; W593-K597 HydrophobicContact CD2-CD 4.04Å; W593-K597 HydrophobicContact CE3-CB 3.83Å; W593-K597 HydrophobicContact CG-CD 4.29Å; W593-K597 HydrophobicContact CH2-CB 3.71Å; W593-K597 HydrophobicContact CZ2-CB 3.63Å; W593-K597 HydrophobicContact CZ2-CD 3.74Å; W593-K597 HydrophobicContact CZ2-CG 4.25Å; W593-K597 HydrophobicContact CZ3-CB 3.81Å; S594-K597 WeakPolarHBondContact O-CB 3.22Å; S594-K597 PolarHBondContact O-N 3.45Å; K595-K597 PolarHBondContact O-N 2.82Å; K597-D654 VanDerWaalsContact CE-OD1 3.3Å; K597-D654 WeakPolarHBondContact CE-OD1 3.46Å; K597-D654 IonicContact NZ-OD1 2.71Å; K597-D654 PolarHBondContact NZ-OD1 2.84Å; K597-D654 IonicContact NZ-OD2 3.82Å; K597-D654 PolarHBondContact NZ-OD2 2.95Å; K597-M657 HydrophobicContact CB-CE 4.12Å
598T86.9Confident92.2Very high44 Ų4446 Ų4627%0.2722%0.217SC..  trans-125.5144.1176.3178.50000111.1D600 R601 M657 P663T598-D600 HydrophobicContact CG2-CB 4.37Å; T598-D600 PolarHBondContact O-N 2.72Å; T598-D600 PolarHBondContact OG1-N 3.5Å; T598-D600 PolarHBondContact OG1-OD2 2.65Å; T598-R601 HydrophobicContact CG2-CB 3.95Å; T598-R601 WeakPolarHBondContact O-CB 3.39Å; T598-R601 PolarHBondContact O-N 3.32Å; T598-M657 WeakPolarHBondContact O-CE 3.35Å; T598-P663 HydrophobicContact CG2-CG 4.37Å
599C86.6Confident92.4Very high36 Ų3642.5 Ų42.524%0.24320%0.204CC..G310 helixtrans-58.6-32.5172.6-57.60000112.1C584 R601 L602C584-C599 HydrophobicContact CB-CB 3.76Å; C584-C599 WeakPolarHBondContact CB-SG 3.41Å; C584-C599 WeakPolarHBondContact SG-CA 3.4Å; C584-C599 WeakPolarHBondContact SG-CB 3.34Å; C584-C599 CovalentContact SG-SG 2.01Å; C584-C599 PolarHBondContact SG-SG 2.9Å; C599-R601 PolarHBondContact O-N 2.98Å; C599-R601 VanDerWaalsContact O-N 3.13Å; C599-L602 PolarHBondContact O-N 3.48Å; C599-L602 VanDerWaalsContact O-N 3.16Å
600D87.5Confident92.6Very high99 Ų9942.5 Ų42.553%0.52920%0.204SC..G310 helixtrans-68.6-12.2-178-61.6-44.4000112.2T598 L602 P663 M671T598-D600 HydrophobicContact CG2-CB 4.37Å; T598-D600 PolarHBondContact O-N 2.72Å; T598-D600 PolarHBondContact OG1-N 3.5Å; T598-D600 PolarHBondContact OG1-OD2 2.65Å; D600-L602 VanDerWaalsContact C-N 3.35Å; D600-P663 HydrophobicContact CB-CB 4.25Å; D600-P663 HydrophobicContact CB-CG 3.65Å; D600-P663 WeakPolarHBondContact O-CG 3.37Å; D600-M671 WeakPolarHBondContact O-CE 3.11Å
601R90.2Very high92.7Very high51 Ų5138.5 Ų38.519%0.19219%0.187CC..G310 helixtrans-80.4-12.4176.3-167.5167.1-177.4-162.8-0.9113.6T598 C599 M657 F660T598-R601 HydrophobicContact CG2-CB 3.95Å; T598-R601 WeakPolarHBondContact O-CB 3.39Å; T598-R601 PolarHBondContact O-N 3.32Å; C599-R601 PolarHBondContact O-N 2.98Å; C599-R601 VanDerWaalsContact O-N 3.13Å; R601-M657 HydrophobicContact CB-CE 3.88Å; R601-M657 HydrophobicContact CG-CB 4.49Å; R601-M657 HydrophobicContact CG-CE 4.25Å; R601-M657 PolarHBondContact NE-O 3.09Å; R601-M657 PolarHBondContact NH2-O 3.29Å; R601-M657 VanDerWaalsContact NH2-O 3.13Å; R601-F660 HydrophobicContact CG-CB 3.93Å; R601-F660 PolarHBondContact NE-O 3.04Å; R601-F660 PolarHBondContact NH2-O 2.69Å; R601-F660 WeakPolarHBondContact O-CB 3.47Å; R601-F660 WeakPolarHBondContact O-CG 3.4Å
602L92.9Very high92.9Very high12 Ų1236.1 Ų36.16%0.06317%0.172CC..SBendtrans-82.5145.2175.9-67.8174.1000111.1C599 D600 Y656 M657 L692C599-L602 PolarHBondContact O-N 3.48Å; C599-L602 VanDerWaalsContact O-N 3.16Å; D600-L602 VanDerWaalsContact C-N 3.35Å; L602-Y656 HydrophobicContact CD2-CD1 4.1Å; L602-Y656 HydrophobicContact CD2-CE1 4.32Å; L602-M657 HydrophobicContact CD2-CG 3.86Å; L602-L692 HydrophobicContact CB-CD2 3.82Å; L602-L692 HydrophobicContact CD1-CD2 4.14Å; L602-L692 HydrophobicContact CD2-CD2 4.31Å; L602-L692 HydrophobicContact CG-CD2 4.32Å
603P95.3Very high93Very high5 Ų536.3 Ų36.33%0.03217%0.173CC..  trans-68.1136.7-179.926.6-32.5000111.7Y656 F660 M671 L692P603-Y656 HydrophobicContact CG-CE1 3.99Å; P603-Y656 VanDerWaalsContact CG-OH 3.26Å; P603-Y656 WeakPolarHBondContact CG-OH 3.36Å; P603-F660 HydrophobicContact CB-CE1 3.76Å; P603-F660 HydrophobicContact CB-CZ 3.88Å; P603-F660 HydrophobicContact CG-CE1 3.95Å; P603-F660 HydrophobicContact CG-CE2 4.1Å; P603-F660 HydrophobicContact CG-CZ 3.53Å; P603-M671 CarbonylContact C-O 3.58Å; P603-M671 VanDerWaalsContact CA-O 3.26Å; P603-M671 WeakPolarHBondContact CA-O 2.91Å; P603-M671 WeakPolarHBondContact CB-O 3.27Å; P603-L692 HydrophobicContact CG-CD1 3.87Å
604K95.4Very high93.2Very high81 Ų8137.1 Ų37.135%0.35219%0.186SC..SBendtrans-80.5-18.1176.5-66.6-178.5-178156.30112.5D669 F670 M671 A695 K696K604-D669 PolarHBondContact NZ-O 2.89Å; K604-F670 HydrophobicContact CB-CD1 4.28Å; K604-F670 HydrophobicContact CD-CD1 3.76Å; K604-F670 HydrophobicContact CD-CE1 4.05Å; K604-F670 HydrophobicContact CD-CG 4.15Å; K604-M671 PolarHBondContact N-O 2.83Å; K604-A695 CarbonylContact O-C 3.44Å; K604-A695 WeakPolarHBondContact O-CA 3.23Å; K604-K696 PolarHBondContact O-N 3.32Å
605F98.1Very high93.6Very high0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-152.8162.9175.771-85.3000112.7L622 I628 F670 F672 K696 I698 L794F605-L622 HydrophobicContact CE2-CD1 3.86Å; F605-L622 HydrophobicContact CE2-CD2 4.2Å; F605-L622 HydrophobicContact CZ-CD1 4.24Å; F605-L622 HydrophobicContact CZ-CD2 4Å; F605-I628 HydrophobicContact CE1-CG2 4.25Å; F605-I628 HydrophobicContact CZ-CG2 3.98Å; F605-F670 HydrophobicContact CE1-CB 4.26Å; F605-F672 HydrophobicContact CD1-CB 3.74Å; F605-F672 HydrophobicContact CD2-CB 3.63Å; F605-F672 HydrophobicContact CD2-CG 4.27Å; F605-F672 HydrophobicContact CE1-CB 3.49Å; F605-F672 VanDerWaalsContact CE1-CB 3.49Å; F605-F672 HydrophobicContact CE1-CD1 4.21Å; F605-F672 HydrophobicContact CE1-CG 4.06Å; F605-F672 HydrophobicContact CE2-CB 3.37Å; F605-F672 HydrophobicContact CE2-CD1 4.2Å; F605-F672 AromaticContact CE2-CD2 3.82Å; F605-F672 HydrophobicContact CE2-CD2 3.82Å; F605-F672 AromaticContact CE2-CG 3.54Å; F605-F672 HydrophobicContact CE2-CG 3.54Å; F605-F672 HydrophobicContact CG-CB 3.81Å; F605-F672 HydrophobicContact CZ-CB 3.29Å; F605-F672 AromaticContact CZ-CD1 3.63Å; F605-F672 HydrophobicContact CZ-CD1 3.63Å; F605-F672 HydrophobicContact CZ-CD2 4.11Å; F605-F672 HydrophobicContact CZ-CE1 4.49Å; F605-F672 AromaticContact CZ-CG 3.41Å; F605-F672 HydrophobicContact CZ-CG 3.41Å; F605-F672 VanDerWaalsContact CZ-CG 3.41Å; F605-F672 VanDerWaalsContact O-CA 3.28Å; F605-F672 WeakPolarHBondContact O-CA 3.43Å; F605-F672 WeakPolarHBondContact O-CB 3.37Å; F605-K696 CarbonylContact C-O 3.45Å; F605-K696 WeakPolarHBondContact CA-O 3.48Å; F605-K696 HydrophobicContact CB-CB 3.73Å; F605-K696 WeakPolarHBondContact CB-O 3.47Å; F605-I698 HydrophobicContact CD2-CD1 3.84Å; F605-I698 HydrophobicContact CE2-CD1 4.07Å; F605-L794 HydrophobicContact CB-CD2 3.83Å; F605-L794 HydrophobicContact CD1-CD1 4.12Å; F605-L794 HydrophobicContact CD1-CD2 3.66Å; F605-L794 HydrophobicContact CD2-CD1 4.42Å; F605-L794 HydrophobicContact CD2-CD2 3.99Å; F605-L794 HydrophobicContact CE1-CD1 3.69Å; F605-L794 HydrophobicContact CE1-CD2 4.13Å; F605-L794 HydrophobicContact CE2-CD1 4.03Å; F605-L794 HydrophobicContact CE2-CD2 4.43Å; F605-L794 HydrophobicContact CG-CD1 4.46Å; F605-L794 HydrophobicContact CG-CD2 3.58Å; F605-L794 HydrophobicContact CZ-CD1 3.64Å; F605-L794 HydrophobicContact CZ-CD2 4.49Å
606M98.5Very high94Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-134136.2-179.6-66.2178.6-73.100111.4V608 F644 E673 Y678 A688 L692 A695 K696 I697 I698M606-V608 HydrophobicContact CB-CG1 3.98Å; M606-F644 HydrophobicContact SD-CD2 4.23Å; M606-F644 HydrophobicContact SD-CE2 3.73Å; M606-E673 WeakPolarHBondContact CA-O 3.48Å; M606-E673 HydrophobicContact CG-CG 3.95Å; M606-Y678 HydrophobicContact SD-CD2 4.46Å; M606-Y678 HydrophobicContact SD-CE2 4.18Å; M606-A688 HydrophobicContact CE-CB 3.76Å; M606-L692 HydrophobicContact CE-CD1 4.08Å; M606-L692 HydrophobicContact SD-CD1 3.89Å; M606-A695 HydrophobicContact CE-CB 4.27Å; M606-K696 PolarHBondContact N-O 3.22Å; M606-I697 HydrophobicContact CB-CD1 4.47Å; M606-I697 HydrophobicContact CE-CD1 3.45Å; M606-I697 VanDerWaalsContact CE-CD1 3.45Å; M606-I698 PolarHBondContact O-N 3.13Å
607V98.7Very high94.5Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-93.9103.3167.4-178.90000108.6T615 L618 L622 F672 E673 K674 S675 I698 L700V607-T615 HydrophobicContact CG1-CG2 4.34Å; V607-L618 HydrophobicContact CG1-CD2 4.01Å; V607-L618 HydrophobicContact CG2-CD2 3.98Å; V607-L622 HydrophobicContact CG2-CD1 4.05Å; V607-F672 HydrophobicContact CG2-CD2 4.31Å; V607-E673 PolarHBondContact N-O 2.9Å; V607-K674 HydrophobicContact CB-CB 3.92Å; V607-K674 HydrophobicContact CB-CG 3.92Å; V607-K674 HydrophobicContact CG1-CB 4.49Å; V607-K674 HydrophobicContact CG1-CG 3.94Å; V607-K674 WeakPolarHBondContact O-CA 3.09Å; V607-S675 PolarHBondContact O-N 3.23Å; V607-I698 CarbonylContact C-O 3.58Å; V607-I698 WeakPolarHBondContact CA-O 3.32Å; V607-I698 HydrophobicContact CG2-CB 4.31Å; V607-L700 HydrophobicContact CG1-CD1 3.89Å
608V98.6Very high95Very high1 Ų123.3 Ų23.31%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-90.8-8.5-164.5-59.60000114M606 S675 A676 Y678 F679 I697 I698 W762M606-V608 HydrophobicContact CB-CG1 3.98Å; V608-S675 CarbonylContact C-O 3.26Å; V608-S675 VanDerWaalsContact O-O 3.04Å; V608-A676 CarbonylContact O-C 3.45Å; V608-A676 WeakPolarHBondContact O-CA 3.45Å; V608-Y678 HydrophobicContact CG1-CD2 4.33Å; V608-F679 HydrophobicContact CG2-CB 4.27Å; V608-F679 HydrophobicContact CG2-CD2 4.13Å; V608-F679 WeakPolarHBondContact O-CB 3.28Å; V608-F679 PolarHBondContact O-N 2.89Å; V608-I697 HydrophobicContact CB-CG2 4.45Å; V608-I697 HydrophobicContact CG1-CG2 3.8Å; V608-I697 HydrophobicContact CG2-CG2 3.76Å; V608-I698 PolarHBondContact N-O 2.01Å; V608-W762 HydrophobicContact CB-CH2 4.1Å; V608-W762 HydrophobicContact CB-CZ2 3.8Å; V608-W762 HydrophobicContact CG1-CH2 3.42Å; V608-W762 VanDerWaalsContact CG1-CH2 3.42Å; V608-W762 HydrophobicContact CG1-CZ2 3.67Å; V608-W762 HydrophobicContact CG1-CZ3 4.01Å; V608-W762 HydrophobicContact CG2-CZ2 4.2Å
609G97.4Very high95.4Very high0 Ų022.4 Ų22.40%012%0.121CC..EExtended strand (participates in β ladder)trans109-146.3-178.800000113.4T699 L700G609-T699 VanDerWaalsContact O-CA 3.31Å; G609-T699 WeakPolarHBondContact O-CA 3.33Å; G609-T699 WeakPolarHBondContact O-CB 3.39Å; G609-T699 PolarHBondContact O-OG1 3.49Å; G609-L700 PolarHBondContact O-N 3.31Å
610P97.7Very high95.8Very high0 Ų023.9 Ų23.90%013%0.126CC..  cis-69.7174.8-3.421.2-26.8000113.7T613 T615 F679 L700 Y755P610-T613 HydrophobicContact CG-CG2 3.9Å; P610-T613 PolarHBondContact O-OG1 3.32Å; P610-T615 WeakPolarHBondContact O-CG2 2.9Å; P610-F679 HydrophobicContact CB-CB 4.28Å; P610-F679 HydrophobicContact CB-CD1 3.65Å; P610-F679 HydrophobicContact CB-CE1 4.29Å; P610-F679 HydrophobicContact CB-CG 4.18Å; P610-F679 HydrophobicContact CG-CD1 3.68Å; P610-F679 HydrophobicContact CG-CE1 3.84Å; P610-F679 HydrophobicContact CG-CG 4.25Å; P610-L700 WeakPolarHBondContact CD-O 3.41Å; P610-Y755 HydrophobicContact CG-CD1 4.26Å; P610-Y755 HydrophobicContact CG-CE1 3.7Å
611Q96.8Very high96.3Very high34 Ų3419.8 Ų19.816%0.15910%0.103CC..THydrogen-bonded Turntrans-60149.7174.6-62.3173.5-51.300111.8T613 A676 N677 R707 W711Q611-T613 VanDerWaalsContact C-N 3.34Å; Q611-A676 HydrophobicContact CB-CB 4.33Å; Q611-A676 HydrophobicContact CG-CB 3.68Å; Q611-N677 PolarHBondContact NE2-OD1 3.3Å; Q611-N677 PolarHBondContact OE1-OD1 3.45Å; Q611-R707 PolarHBondContact O-NE 3.08Å; Q611-W711 HydrophobicContact CB-CE3 4.35Å; Q611-W711 HydrophobicContact CB-CZ3 4.38Å; Q611-W711 HydrophobicContact CG-CZ3 4.45Å; Q611-W711 VanDerWaalsContact NE2-CZ3 3.28Å
612K96.2Very high96.6Very high47 Ų4717.3 Ų17.320%0.2049%0.094CC..THydrogen-bonded Turntrans72.715.2172.3-44.8-53-57.1-172.20116I702 R707 S710 W711 H714K612-I702 WeakPolarHBondContact O-CD1 3.42Å; K612-R707 HydrophobicContact CB-CG 4.41Å; K612-S710 WeakPolarHBondContact CE-O 3.37Å; K612-S710 WeakPolarHBondContact CE-OG 3.49Å; K612-W711 HydrophobicContact CD-CE3 3.96Å; K612-W711 HydrophobicContact CG-CB 4.05Å; K612-W711 HydrophobicContact CG-CE3 3.91Å; K612-H714 HydrophobicContact CD-CB 4.3Å; K612-H714 PolarHBondContact NZ-CD2 3.5Å; K612-H714 VanDerWaalsContact NZ-CD2 3.25Å
613T96.9Very high96.6Very high6 Ų620.1 Ų20.14%0.03711%0.109CC..SBendtrans-102.3-0.5-178.657.30000114.4P610 Q611 L700 I702 R707P610-T613 HydrophobicContact CG-CG2 3.9Å; P610-T613 PolarHBondContact O-OG1 3.32Å; Q611-T613 VanDerWaalsContact C-N 3.34Å; T613-L700 WeakPolarHBondContact CB-O 3.44Å; T613-L700 WeakPolarHBondContact CG2-O 3.19Å; T613-L700 PolarHBondContact OG1-O 3.37Å; T613-I702 HydrophobicContact CG2-CG1 4.16Å; T613-R707 HydrophobicContact CG2-CG 4.25Å
614G95.6Very high96.6Very high31 Ų3121 Ų2132%0.3211%0.113SC..SBendtrans108.47.6-177.500000114.9T616 A617 L618G614-T616 VanDerWaalsContact C-N 3.25Å; G614-T616 PolarHBondContact O-N 2.97Å; G614-T616 VanDerWaalsContact O-N 3.08Å; G614-A617 WeakPolarHBondContact O-CA 3.35Å; G614-A617 VanDerWaalsContact O-CB 3.29Å; G614-A617 WeakPolarHBondContact O-CB 3.43Å; G614-A617 PolarHBondContact O-N 2.67Å; G614-L618 PolarHBondContact O-N 3.39Å; G614-L618 VanDerWaalsContact O-N 3.12Å
615T96.4Very high96.5Very high7 Ų717.3 Ų17.34%0.04310%0.097CC..Hα-helixtrans-49.3-37.5-179.156.70000115.3V607 P610 Y619 K674 A676 L700V607-T615 HydrophobicContact CG1-CG2 4.34Å; P610-T615 WeakPolarHBondContact O-CG2 2.9Å; T615-Y619 VanDerWaalsContact O-CB 3.32Å; T615-Y619 WeakPolarHBondContact O-CB 3.45Å; T615-Y619 PolarHBondContact O-N 2.94Å; T615-K674 WeakPolarHBondContact OG1-CE 3.48Å; T615-A676 HydrophobicContact CG2-CB 4.2Å; T615-L700 HydrophobicContact CG2-CD1 3.81Å
616T95.3Very high96.2Very high17 Ų1721.6 Ų21.610%0.10412%0.124CC..Hα-helixtrans-75.3-28.1178.7-51.90000111.8G614 L620 E639 L827 K831G614-T616 VanDerWaalsContact C-N 3.25Å; G614-T616 PolarHBondContact O-N 2.97Å; G614-T616 VanDerWaalsContact O-N 3.08Å; T616-L620 PolarHBondContact O-N 3.5Å; T616-L620 VanDerWaalsContact O-N 3.16Å; T616-E639 WeakPolarHBondContact CG2-OE1 3.4Å; T616-E639 PolarHBondContact OG1-OE1 2.69Å; T616-L827 HydrophobicContact CG2-CD2 3.85Å; T616-K831 HydrophobicContact CG2-CD 4.37Å; T616-K831 PolarHBondContact OG1-NZ 2.84Å
617A95.8Very high95.9Very high18 Ų1822.1 Ų22.115%0.14913%0.128CC..Hα-helixtrans-67.4-50.2172.200000110.1G614 Y619 L620 F621 L827G614-A617 WeakPolarHBondContact O-CA 3.35Å; G614-A617 VanDerWaalsContact O-CB 3.29Å; G614-A617 WeakPolarHBondContact O-CB 3.43Å; G614-A617 PolarHBondContact O-N 2.67Å; A617-Y619 VanDerWaalsContact C-N 3.31Å; A617-Y619 PolarHBondContact O-N 3.24Å; A617-L620 PolarHBondContact O-N 3.11Å; A617-L620 VanDerWaalsContact O-N 3.1Å; A617-F621 HydrophobicContact CB-CE2 4.16Å; A617-F621 HydrophobicContact CB-CZ 4.33Å; A617-F621 WeakPolarHBondContact O-CD2 3.32Å; A617-F621 VanDerWaalsContact O-CG 3.27Å; A617-F621 WeakPolarHBondContact O-CG 3.3Å; A617-F621 PolarHBondContact O-N 2.98Å; A617-L827 HydrophobicContact CB-CD1 3.73Å
618L97.6Very high95.6Very high0 Ų022.4 Ų22.40%013%0.13CC..Hα-helixtrans-55.4-46.8175.2-18064.5000111.8V607 G614 L620 F621 L622 I698 L700 I774 L779 M787 V790V607-L618 HydrophobicContact CG1-CD2 4.01Å; V607-L618 HydrophobicContact CG2-CD2 3.98Å; G614-L618 PolarHBondContact O-N 3.39Å; G614-L618 VanDerWaalsContact O-N 3.12Å; L618-L620 VanDerWaalsContact C-N 3.32Å; L618-L620 PolarHBondContact O-N 2.93Å; L618-F621 PolarHBondContact O-N 3.46Å; L618-L622 HydrophobicContact CD1-CD1 4.34Å; L618-L622 HydrophobicContact CD1-CG 4.31Å; L618-L622 HydrophobicContact CG-CD1 3.94Å; L618-L622 HydrophobicContact CG-CG 4.38Å; L618-L622 WeakPolarHBondContact O-CB 3.3Å; L618-L622 WeakPolarHBondContact O-CG 3.37Å; L618-L622 PolarHBondContact O-N 3.17Å; L618-I698 HydrophobicContact CD2-CG2 3.85Å; L618-L700 HydrophobicContact CB-CD2 4.2Å; L618-L700 HydrophobicContact CD2-CD1 3.86Å; L618-L700 HydrophobicContact CD2-CD2 4.08Å; L618-L700 HydrophobicContact CD2-CG 4.23Å; L618-I774 HydrophobicContact CD1-CD1 4.37Å; L618-I774 HydrophobicContact CD2-CD1 3.92Å; L618-L779 HydrophobicContact CB-CD2 4.07Å; L618-M787 HydrophobicContact CD1-CE 4.42Å; L618-M787 HydrophobicContact CD1-SD 3.5Å; L618-M787 VanDerWaalsContact CD1-SD 3.5Å; L618-V790 HydrophobicContact CD1-CG2 4.45Å
619Y96.8Very high95.4Very high25 Ų2524 Ų2410%0.09814%0.141CC..Hα-helixtrans-52.9-46.9175.2173.1-85.2000112.7T615 A617 L622 L623 S630 E639 F672 K674T615-Y619 VanDerWaalsContact O-CB 3.32Å; T615-Y619 WeakPolarHBondContact O-CB 3.45Å; T615-Y619 PolarHBondContact O-N 2.94Å; A617-Y619 VanDerWaalsContact C-N 3.31Å; A617-Y619 PolarHBondContact O-N 3.24Å; Y619-L622 PolarHBondContact O-N 3.3Å; Y619-L623 HydrophobicContact CD1-CD1 4.01Å; Y619-L623 HydrophobicContact CE1-CD1 3.34Å; Y619-L623 HydrophobicContact CE1-CG 4.29Å; Y619-L623 WeakPolarHBondContact O-CG 3.48Å; Y619-L623 PolarHBondContact O-N 3.46Å; Y619-S630 WeakPolarHBondContact CE2-OG 3.41Å; Y619-S630 PolarHBondContact OH-OG 3.02Å; Y619-E639 HydrophobicContact CE1-CB 4.12Å; Y619-E639 HydrophobicContact CE2-CB 4Å; Y619-F672 AromaticContact CD2-CE2 3.67Å; Y619-F672 HydrophobicContact CD2-CE2 3.67Å; Y619-F672 AromaticContact CD2-CZ 3.87Å; Y619-F672 HydrophobicContact CD2-CZ 3.87Å; Y619-F672 HydrophobicContact CE2-CE2 4.27Å; Y619-F672 HydrophobicContact CE2-CZ 4.25Å; Y619-F672 HydrophobicContact CG-CE2 4.43Å; Y619-F672 HydrophobicContact CG-CZ 4.43Å; Y619-K674 HydrophobicContact CD2-CB 3.82Å
620L95.3Very high95.3Very high68 Ų6824.6 Ų24.636%0.35615%0.145SC..Hα-helixtrans-68.7-37.4179-74.2-167.7000112.6T616 A617 L618 L623 M624 L827T616-L620 PolarHBondContact O-N 3.5Å; T616-L620 VanDerWaalsContact O-N 3.16Å; A617-L620 PolarHBondContact O-N 3.11Å; A617-L620 VanDerWaalsContact O-N 3.1Å; L618-L620 VanDerWaalsContact C-N 3.32Å; L618-L620 PolarHBondContact O-N 2.93Å; L620-L623 HydrophobicContact CD2-CD1 4.47Å; L620-L623 PolarHBondContact O-N 3.2Å; L620-M624 PolarHBondContact O-N 2.78Å; L620-L827 HydrophobicContact CD1-CD2 3.24Å; L620-L827 HydrophobicContact CD1-CG 3.92Å; L620-L827 HydrophobicContact CG-CD2 3.97Å
621F97Very high95.1Very high12 Ų1224.8 Ų24.85%0.05315%0.146CC..Hα-helixtrans-68.6-38.8177.6-56.8-24.9000111.4A617 L618 L623 M624 L779 P783 M787 Y802 L806 W815A617-F621 HydrophobicContact CB-CE2 4.16Å; A617-F621 HydrophobicContact CB-CZ 4.33Å; A617-F621 WeakPolarHBondContact O-CD2 3.32Å; A617-F621 VanDerWaalsContact O-CG 3.27Å; A617-F621 WeakPolarHBondContact O-CG 3.3Å; A617-F621 PolarHBondContact O-N 2.98Å; L618-F621 PolarHBondContact O-N 3.46Å; F621-L623 VanDerWaalsContact C-N 3.3Å; F621-L623 PolarHBondContact O-N 2.9Å; F621-M624 HydrophobicContact CD1-SD 4.13Å; F621-M624 WeakPolarHBondContact O-CB 3.4Å; F621-M624 PolarHBondContact O-N 3.43Å; F621-M624 VanDerWaalsContact O-N 3.1Å; F621-L779 HydrophobicContact CD2-CD1 4.01Å; F621-L779 HydrophobicContact CE2-CD1 4.05Å; F621-P783 HydrophobicContact CD2-CB 4.07Å; F621-P783 HydrophobicContact CE2-CB 3.59Å; F621-P783 HydrophobicContact CE2-CG 4.38Å; F621-P783 HydrophobicContact CZ-CB 4.29Å; F621-M787 HydrophobicContact CB-CE 3.95Å; F621-M787 HydrophobicContact CB-CG 4.06Å; F621-M787 HydrophobicContact CB-SD 3.76Å; F621-M787 HydrophobicContact CD2-CG 4.45Å; F621-M787 HydrophobicContact CD2-SD 4.45Å; F621-Y802 HydrophobicContact CB-CE1 4.23Å; F621-Y802 WeakPolarHBondContact O-CE1 3.36Å; F621-Y802 PolarHBondContact O-OH 3.05Å; F621-L806 HydrophobicContact CD1-CD1 4.33Å; F621-L806 HydrophobicContact CD1-CD2 3.61Å; F621-L806 HydrophobicContact CD2-CD1 4.46Å; F621-L806 HydrophobicContact CE1-CD1 4.42Å; F621-L806 HydrophobicContact CE1-CD2 3.51Å; F621-L806 HydrophobicContact CG-CD1 4.36Å; F621-L806 HydrophobicContact CG-CD2 4.4Å; F621-L806 HydrophobicContact CZ-CD2 4.24Å; F621-W815 HydrophobicContact CZ-CB 4.49Å
622L96.4Very high95.1Very high0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-57.6-43.3173-76.5166.6000111.9F605 V607 L618 Y619 M624 H625 I628 F672 M787 V790 L794F605-L622 HydrophobicContact CE2-CD1 3.86Å; F605-L622 HydrophobicContact CE2-CD2 4.2Å; F605-L622 HydrophobicContact CZ-CD1 4.24Å; F605-L622 HydrophobicContact CZ-CD2 4Å; V607-L622 HydrophobicContact CG2-CD1 4.05Å; L618-L622 HydrophobicContact CD1-CD1 4.34Å; L618-L622 HydrophobicContact CD1-CG 4.31Å; L618-L622 HydrophobicContact CG-CD1 3.94Å; L618-L622 HydrophobicContact CG-CG 4.38Å; L618-L622 WeakPolarHBondContact O-CB 3.3Å; L618-L622 WeakPolarHBondContact O-CG 3.37Å; L618-L622 PolarHBondContact O-N 3.17Å; Y619-L622 PolarHBondContact O-N 3.3Å; L622-M624 PolarHBondContact O-N 2.96Å; L622-M624 VanDerWaalsContact O-N 3.14Å; L622-H625 WeakPolarHBondContact O-CB 3.41Å; L622-H625 PolarHBondContact O-N 3.47Å; L622-H625 VanDerWaalsContact O-N 3.08Å; L622-I628 HydrophobicContact CB-CG2 4.29Å; L622-I628 HydrophobicContact CD2-CD1 3.9Å; L622-F672 HydrophobicContact CB-CE1 3.87Å; L622-F672 HydrophobicContact CB-CE2 4.29Å; L622-F672 HydrophobicContact CB-CZ 3.61Å; L622-F672 HydrophobicContact CD1-CD2 4.05Å; L622-F672 HydrophobicContact CD1-CE1 4.4Å; L622-F672 HydrophobicContact CD1-CE2 3.6Å; L622-F672 HydrophobicContact CD1-CZ 3.81Å; L622-F672 HydrophobicContact CG-CZ 4.37Å; L622-M787 HydrophobicContact CD2-CE 3.84Å; L622-M787 HydrophobicContact CG-CE 4Å; L622-V790 HydrophobicContact CD2-CG1 3.86Å; L622-L794 HydrophobicContact CD2-CD1 4.37Å
623L94.1Very high95Very high71 Ų7130.7 Ų30.737%0.37218%0.181SC..THydrogen-bonded Turntrans-64.4-13.4177.4-76.8-179.9000114.9Y619 L620 F621 H625 F672Y619-L623 HydrophobicContact CD1-CD1 4.01Å; Y619-L623 HydrophobicContact CE1-CD1 3.34Å; Y619-L623 HydrophobicContact CE1-CG 4.29Å; Y619-L623 WeakPolarHBondContact O-CG 3.48Å; Y619-L623 PolarHBondContact O-N 3.46Å; L620-L623 HydrophobicContact CD2-CD1 4.47Å; L620-L623 PolarHBondContact O-N 3.2Å; F621-L623 VanDerWaalsContact C-N 3.3Å; F621-L623 PolarHBondContact O-N 2.9Å; L623-H625 VanDerWaalsContact C-N 3.28Å; L623-F672 HydrophobicContact CD2-CE1 4.37Å
624M94.2Very high94.8Very high24 Ų2431.1 Ų31.112%0.11819%0.185CC..THydrogen-bonded Turntrans-77.1-18.9174.7-63.7168.254.800112.1L620 F621 L622 F800 Y802 T805 L806 Q817L620-M624 PolarHBondContact O-N 2.78Å; F621-M624 HydrophobicContact CD1-SD 4.13Å; F621-M624 WeakPolarHBondContact O-CB 3.4Å; F621-M624 PolarHBondContact O-N 3.43Å; F621-M624 VanDerWaalsContact O-N 3.1Å; L622-M624 PolarHBondContact O-N 2.96Å; L622-M624 VanDerWaalsContact O-N 3.14Å; M624-F800 HydrophobicContact CB-CE1 4.1Å; M624-F800 HydrophobicContact CB-CZ 4.32Å; M624-F800 HydrophobicContact CE-CE1 4.41Å; M624-F800 WeakPolarHBondContact O-CZ 3.5Å; M624-Y802 HydrophobicContact CB-CE1 4.15Å; M624-Y802 HydrophobicContact CE-CD1 4.47Å; M624-T805 VanDerWaalsContact CE-CB 3.47Å; M624-T805 WeakPolarHBondContact CE-O 3.27Å; M624-T805 VanDerWaalsContact CE-OG1 3.26Å; M624-T805 WeakPolarHBondContact CE-OG1 3.17Å; M624-L806 HydrophobicContact CE-CD2 3.87Å; M624-L806 HydrophobicContact CE-CG 4.26Å; M624-L806 HydrophobicContact SD-CD2 3.81Å; M624-Q817 HydrophobicContact CE-CB 4.33Å; M624-Q817 HydrophobicContact CE-CG 3.91Å; M624-Q817 HydrophobicContact SD-CB 4.08Å; M624-Q817 HydrophobicContact SD-CG 4.07Å
625H94.1Very high94.6Very high3 Ų335.7 Ų35.71%0.01421%0.209CC..SBendtrans-79.1127.5179.9-169.5-64000110.5L622 L623 S627 I628 Q791 P798 F800L622-H625 WeakPolarHBondContact O-CB 3.41Å; L622-H625 PolarHBondContact O-N 3.47Å; L622-H625 VanDerWaalsContact O-N 3.08Å; L623-H625 VanDerWaalsContact C-N 3.28Å; H625-S627 VanDerWaalsContact C-N 3.3Å; H625-S627 PolarHBondContact ND1-N 3.34Å; H625-S627 PolarHBondContact O-N 2.93Å; H625-I628 HydrophobicContact CB-CB 4.04Å; H625-I628 HydrophobicContact CB-CD1 3.81Å; H625-I628 HydrophobicContact CB-CG1 3.86Å; H625-I628 PolarHBondContact O-N 3.38Å; H625-Q791 PolarHBondContact CD2-OE1 2.68Å; H625-Q791 VanDerWaalsContact CD2-OE1 3.26Å; H625-Q791 PolarHBondContact NE2-OE1 3.33Å; H625-P798 PolarHBondContact CE1-O 3.16Å; H625-P798 VanDerWaalsContact CE1-O 3.26Å; H625-P798 PolarHBondContact NE2-O 2.98Å; H625-F800 WeakPolarHBondContact CD2-CB 3.23Å
626P91.4Very high94.4Very high89 Ų8944.1 Ų44.158%0.57825%0.245SC*.THydrogen-bonded Turntrans-62.1-32.9-173.823.3-34.1000114.1
627S91.4Very high94.3Very high12 Ų1244.6 Ų44.68%0.08425%0.248CC..THydrogen-bonded Turntrans-87.95.1177.1-370000115.3H625 F670 T797H625-S627 VanDerWaalsContact C-N 3.3Å; H625-S627 PolarHBondContact ND1-N 3.34Å; H625-S627 PolarHBondContact O-N 2.93Å; S627-F670 PolarHBondContact O-N 3.22Å; S627-T797 PolarHBondContact OG-O 2.72Å
628I93.5Very high94.1Very high5 Ų551.8 Ų51.83%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-116.3123.7-179.1-58.5-179.2000109.5F605 L622 H625 F670 F672 L794 V796F605-I628 HydrophobicContact CE1-CG2 4.25Å; F605-I628 HydrophobicContact CZ-CG2 3.98Å; L622-I628 HydrophobicContact CB-CG2 4.29Å; L622-I628 HydrophobicContact CD2-CD1 3.9Å; H625-I628 HydrophobicContact CB-CB 4.04Å; H625-I628 HydrophobicContact CB-CD1 3.81Å; H625-I628 HydrophobicContact CB-CG1 3.86Å; H625-I628 PolarHBondContact O-N 3.38Å; I628-F670 WeakPolarHBondContact CA-O 3.38Å; I628-F670 HydrophobicContact CG1-CB 4.23Å; I628-F672 HydrophobicContact CG2-CD1 3.5Å; I628-F672 HydrophobicContact CG2-CE1 3.55Å; I628-L794 HydrophobicContact CD1-CD1 4.22Å; I628-V796 HydrophobicContact CD1-CG1 4.44Å; I628-V796 HydrophobicContact CD1-CG2 4.44Å; I628-V796 HydrophobicContact CG1-CG2 4.08Å
629S93.7Very high93.8Very high34 Ų3453.5 Ų53.524%0.23828%0.28CS..EExtended strand (participates in β ladder)trans-121.2140.4-179-70.60000110.3F670 M671 F672S629-F670 PolarHBondContact N-O 2.87Å; S629-M671 CarbonylContact O-C 3.57Å; S629-M671 VanDerWaalsContact O-CA 3.23Å; S629-M671 WeakPolarHBondContact O-CA 3.26Å; S629-F672 VanDerWaalsContact O-CD1 3.27Å; S629-F672 WeakPolarHBondContact O-CD1 3.37Å; S629-F672 PolarHBondContact O-N 2.89Å
630S94.4Very high93.8Very high13 Ų1353.2 Ų53.29%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-100.1168.5175.3-168.90000111.8Y619 F672Y619-S630 WeakPolarHBondContact CE2-OG 3.41Å; Y619-S630 PolarHBondContact OH-OG 3.02Å; S630-F672 WeakPolarHBondContact CA-O 3.31Å
631N95.1Very high93.9Very high5 Ų550 Ų503%0.02726%0.263CS..PPolyproline II helixtrans-54.8152163.563.2-83.7000113.6E639 V641 F659 F660 F672 E673N631-E639 PolarHBondContact ND2-O 2.95Å; N631-E639 PolarHBondContact OD1-O 3.14Å; N631-V641 HydrophobicContact CB-CG2 3.8Å; N631-V641 VanDerWaalsContact CG-CG2 3.49Å; N631-F659 CarbonylContact C-O 3.41Å; N631-F659 WeakPolarHBondContact CA-O 3.46Å; N631-F659 HydrophobicContact CB-CB 4.07Å; N631-F659 WeakPolarHBondContact CB-O 3.4Å; N631-F660 HydrophobicContact CB-CD1 4.26Å; N631-F660 HydrophobicContact CB-CE1 3.89Å; N631-F660 HydrophobicContact CB-CZ 4.2Å; N631-F672 PolarHBondContact N-O 3.38Å; N631-E673 WeakPolarHBondContact OD1-CA 3.39Å
632F95.4Very high93.9Very high105 Ų10551 Ų5146%0.46127%0.268SS..PPolyproline II helixtrans-60.9146.1163.5-62.1-57.2000110.7F659 P661F632-F659 VanDerWaalsContact CD2-O 3.3Å; F632-F659 WeakPolarHBondContact CD2-O 3.49Å; F632-F659 PolarHBondContact N-O 2.99Å; F632-F659 WeakPolarHBondContact O-CD1 3.49Å; F632-P661 HydrophobicContact CE2-CB 4.3Å; F632-P661 HydrophobicContact CZ-CB 3.86Å
633P93.9Very high94Very high99 Ų9951 Ų5164%0.64327%0.268SS*.PPolyproline II helixtrans-71.1139.2-179.328.6-34.1000111.7Y638P633-Y638 CarbonylContact C-O 3.5Å; P633-Y638 VanDerWaalsContact CA-O 3.29Å; P633-Y638 WeakPolarHBondContact CA-O 3.32Å
634S93.8Very high94.2Very high15 Ų1547.6 Ų47.611%0.10525%0.25CC..BIsolated β-bridgetrans-80.6136.8169.1170.40000110.4K636 T637 Y638S634-K636 PolarHBondContact O-N 3.42Å; S634-K636 PolarHBondContact OG-N 3.18Å; S634-T637 WeakPolarHBondContact CB-OG1 3.44Å; S634-T637 PolarHBondContact OG-N 2.86Å; S634-T637 VanDerWaalsContact OG-N 3.09Å; S634-T637 PolarHBondContact OG-OG1 3.25Å; S634-Y638 PolarHBondContact N-O 3.14Å; S634-Y638 WeakPolarHBondContact O-CA 3.36Å; S634-Y638 PolarHBondContact O-N 3.39Å
635P91.5Very high94.3Very high127 Ų12748.4 Ų48.483%0.82526%0.255SS*.THydrogen-bonded Turntrans-65-19.8173.526.5-34.1000113
636K91.8Very high94.3Very high185 Ų18550 Ų5080%0.80426%0.264SS*.THydrogen-bonded Turntrans-100.1-35.3-178.3-64.6-174.1179.2-176.10113.3S634S634-K636 PolarHBondContact O-N 3.42Å; S634-K636 PolarHBondContact OG-N 3.18Å
637T92.5Very high94.5Very high26 Ų2652.2 Ų52.216%0.1627%0.272CS..THydrogen-bonded Turntrans-120.18.3-170.747.70000112.9S634 E639 E640 Q642S634-T637 WeakPolarHBondContact CB-OG1 3.44Å; S634-T637 PolarHBondContact OG-N 2.86Å; S634-T637 VanDerWaalsContact OG-N 3.09Å; S634-T637 PolarHBondContact OG-OG1 3.25Å; T637-E639 PolarHBondContact O-N 3.41Å; T637-E640 WeakPolarHBondContact CB-O 3.47Å; T637-E640 PolarHBondContact O-N 3.05Å; T637-E640 PolarHBondContact OG1-O 3.31Å; T637-Q642 HydrophobicContact CG2-CG 4.15Å
638Y92.3Very high94.7Very high170 Ų17053.1 Ų53.167%0.66728%0.276SS*.BIsolated β-bridgetrans55.6-120.8176.7-50.9-79.4000111.7P633 S634 E640P633-Y638 CarbonylContact C-O 3.5Å; P633-Y638 VanDerWaalsContact CA-O 3.29Å; P633-Y638 WeakPolarHBondContact CA-O 3.32Å; S634-Y638 PolarHBondContact N-O 3.14Å; S634-Y638 WeakPolarHBondContact O-CA 3.36Å; S634-Y638 PolarHBondContact O-N 3.39Å; Y638-E640 PolarHBondContact O-N 2.73Å
639E92.3Very high94.9Very high36 Ų3652.9 Ų52.917%0.16827%0.274CS..THydrogen-bonded Turntrans-67.4-15.3179.172.2-95.8-15500113.9T616 Y619 N631 T637 K674 K831T616-E639 WeakPolarHBondContact CG2-OE1 3.4Å; T616-E639 PolarHBondContact OG1-OE1 2.69Å; Y619-E639 HydrophobicContact CE1-CB 4.12Å; Y619-E639 HydrophobicContact CE2-CB 4Å; N631-E639 PolarHBondContact ND2-O 2.95Å; N631-E639 PolarHBondContact OD1-O 3.14Å; T637-E639 PolarHBondContact O-N 3.41Å; E639-K674 HydrophobicContact CG-CD 4.24Å; E639-K674 IonicContact OE1-NZ 2.81Å; E639-K674 PolarHBondContact OE1-NZ 3.44Å; E639-K674 VanDerWaalsContact OE1-NZ 3.08Å; E639-K831 IonicContact OE1-NZ 3.88Å
640E96.6Very high94.9Very high18 Ų1854.1 Ų54.18%0.08428%0.276CS..  trans-94.8139.2-175.3-49.3-164.5162.700113.1T637 Y638 Q642 K674 A676T637-E640 WeakPolarHBondContact CB-O 3.47Å; T637-E640 PolarHBondContact O-N 3.05Å; T637-E640 PolarHBondContact OG1-O 3.31Å; Y638-E640 PolarHBondContact O-N 2.73Å; E640-Q642 HydrophobicContact CB-CG 3.83Å; E640-Q642 PolarHBondContact OE2-NE2 2.94Å; E640-K674 VanDerWaalsContact CA-O 3.23Å; E640-K674 WeakPolarHBondContact CA-O 3.44Å; E640-K674 WeakPolarHBondContact CB-O 3.46Å; E640-K674 HydrophobicContact CG-CD 3.94Å; E640-K674 WeakPolarHBondContact CG-O 3.48Å; E640-K674 WeakPolarHBondContact OE1-CE 3.48Å; E640-K674 IonicContact OE1-NZ 3.39Å; E640-K674 PolarHBondContact OE1-NZ 2.96Å; E640-A676 PolarHBondContact OE1-N 3.2Å
641V96.9Very high95Very high0 Ų058 Ų580%029%0.291CS..  trans-83.7-39.6175-1720000111.1N631 F643 W655 Y656 F659 E673 S675N631-V641 HydrophobicContact CB-CG2 3.8Å; N631-V641 VanDerWaalsContact CG-CG2 3.49Å; V641-F643 VanDerWaalsContact C-N 3.26Å; V641-F643 HydrophobicContact CG1-CB 4.07Å; V641-F643 PolarHBondContact O-N 3.42Å; V641-W655 HydrophobicContact CG1-CH2 4.22Å; V641-W655 HydrophobicContact CG1-CZ3 3.96Å; V641-Y656 HydrophobicContact CB-CE2 4.43Å; V641-Y656 HydrophobicContact CG1-CD2 3.82Å; V641-Y656 HydrophobicContact CG1-CE2 3.88Å; V641-F659 HydrophobicContact CG1-CB 4.42Å; V641-F659 HydrophobicContact CG1-CD1 4.11Å; V641-F659 HydrophobicContact CG1-CD2 3.78Å; V641-F659 HydrophobicContact CG1-CE1 4.38Å; V641-F659 HydrophobicContact CG1-CE2 4.07Å; V641-F659 HydrophobicContact CG1-CG 3.81Å; V641-F659 HydrophobicContact CG1-CZ 4.35Å; V641-F659 HydrophobicContact CG2-CB 4.25Å; V641-F659 HydrophobicContact CG2-CD1 4.08Å; V641-F659 HydrophobicContact CG2-CG 4.15Å; V641-E673 HydrophobicContact CG2-CB 3.92Å; V641-S675 PolarHBondContact N-OG 3.2Å
642Q97.3Very high95Very high34 Ų3457.9 Ų57.916%0.15929%0.291CS..  trans51.742.6-178.2-57.2-170.4-1.100113.2T637 E640 N645 T646 N648 S675T637-Q642 HydrophobicContact CG2-CG 4.15Å; E640-Q642 HydrophobicContact CB-CG 3.83Å; E640-Q642 PolarHBondContact OE2-NE2 2.94Å; Q642-N645 WeakPolarHBondContact CA-OD1 3.39Å; Q642-T646 HydrophobicContact CB-CG2 3.94Å; Q642-T646 WeakPolarHBondContact O-CG2 3.34Å; Q642-T646 PolarHBondContact O-OG1 3.18Å; Q642-N648 PolarHBondContact O-ND2 3.02Å; Q642-S675 PolarHBondContact N-OG 2.78Å
643F98.1Very high94.9Very high0 Ų053.3 Ų53.30%027%0.271CS..  trans-72.2-59-179.5178.9-120.5000111.2W580 V641 N645 Y649 G652 W655 Y656 Y678 L691W580-F643 AromaticContact CD1-CZ 3.84Å; V641-F643 VanDerWaalsContact C-N 3.26Å; V641-F643 HydrophobicContact CG1-CB 4.07Å; V641-F643 PolarHBondContact O-N 3.42Å; F643-N645 PolarHBondContact O-N 2.93Å; F643-Y649 HydrophobicContact CD1-CD2 4.03Å; F643-Y649 HydrophobicContact CD1-CE2 4.5Å; F643-Y649 AromaticContact CE1-CD2 3.59Å; F643-Y649 HydrophobicContact CE1-CD2 3.59Å; F643-Y649 AromaticContact CE1-CE2 3.8Å; F643-Y649 HydrophobicContact CE1-CE2 3.8Å; F643-Y649 HydrophobicContact CE2-CD2 4.2Å; F643-Y649 HydrophobicContact CG-CD2 4.49Å; F643-Y649 AromaticContact CZ-CD2 3.69Å; F643-Y649 HydrophobicContact CZ-CD2 3.69Å; F643-Y649 HydrophobicContact CZ-CE2 4.08Å; F643-Y649 WeakPolarHBondContact O-CA 3.43Å; F643-Y649 WeakPolarHBondContact O-CB 3.2Å; F643-Y649 PolarHBondContact O-N 2.8Å; F643-Y649 VanDerWaalsContact O-N 3.17Å; F643-G652 WeakPolarHBondContact CE2-O 3.26Å; F643-W655 HydrophobicContact CB-CZ3 4.16Å; F643-W655 AromaticContact CD2-CE3 3.63Å; F643-W655 HydrophobicContact CD2-CE3 3.63Å; F643-W655 AromaticContact CD2-CZ3 3.68Å; F643-W655 HydrophobicContact CD2-CZ3 3.68Å; F643-W655 HydrophobicContact CE2-CE3 4.11Å; F643-W655 HydrophobicContact CG-CZ3 4.37Å; F643-Y656 HydrophobicContact CB-CD2 3.47Å; F643-Y656 VanDerWaalsContact CB-CD2 3.47Å; F643-Y656 HydrophobicContact CB-CE2 3.67Å; F643-Y656 HydrophobicContact CB-CG 4.41Å; F643-Y656 HydrophobicContact CD1-CD1 4.26Å; F643-Y656 AromaticContact CD1-CD2 3.58Å; F643-Y656 HydrophobicContact CD1-CD2 3.58Å; F643-Y656 AromaticContact CD1-CE2 3.95Å; F643-Y656 HydrophobicContact CD1-CE2 3.95Å; F643-Y656 AromaticContact CD1-CG 3.73Å; F643-Y656 HydrophobicContact CD1-CG 3.73Å; F643-Y656 HydrophobicContact CD2-CD2 4.08Å; F643-Y656 HydrophobicContact CD2-CG 4.33Å; F643-Y656 HydrophobicContact CE1-CD1 4.36Å; F643-Y656 HydrophobicContact CE1-CD2 4.3Å; F643-Y656 AromaticContact CE1-CG 3.98Å; F643-Y656 HydrophobicContact CE1-CG 3.98Å; F643-Y656 AromaticContact CG-CD2 3.45Å; F643-Y656 HydrophobicContact CG-CD2 3.45Å; F643-Y656 VanDerWaalsContact CG-CD2 3.45Å; F643-Y656 HydrophobicContact CG-CE2 4.01Å; F643-Y656 AromaticContact CG-CG 3.92Å; F643-Y656 HydrophobicContact CG-CG 3.92Å; F643-Y656 HydrophobicContact CZ-CG 4.38Å; F643-Y678 PolarHBondContact N-OH 3.42Å; F643-L691 HydrophobicContact CE1-CD2 3.88Å
644F98.2Very high94.8Very high0 Ų049.6 Ų49.60%025%0.246CC..THydrogen-bonded Turntrans-72.7-23.9-168.4-63-68000114.9M606 Y649 Y656 Y678 T684 R687 A688 L691 L692M606-F644 HydrophobicContact SD-CD2 4.23Å; M606-F644 HydrophobicContact SD-CE2 3.73Å; F644-Y649 AromaticContact CD1-CD2 3.95Å; F644-Y649 HydrophobicContact CD1-CD2 3.95Å; F644-Y649 AromaticContact CD1-CE2 3.77Å; F644-Y649 HydrophobicContact CD1-CE2 3.77Å; F644-Y649 HydrophobicContact CE1-CE2 4.12Å; F644-Y656 HydrophobicContact CZ-CE1 4.4Å; F644-Y678 HydrophobicContact CB-CD1 4.47Å; F644-Y678 HydrophobicContact CB-CE1 3.99Å; F644-Y678 HydrophobicContact CD2-CD2 4.42Å; F644-Y678 HydrophobicContact CD2-CE1 4.32Å; F644-Y678 AromaticContact CD2-CE2 3.65Å; F644-Y678 HydrophobicContact CD2-CE2 3.65Å; F644-Y678 AromaticContact CD2-CZ 3.6Å; F644-Y678 HydrophobicContact CE2-CE2 4.38Å; F644-Y678 PolarHBondContact N-OH 3.06Å; F644-T684 HydrophobicContact CB-CG2 3.59Å; F644-T684 HydrophobicContact CG-CG2 4.34Å; F644-T684 PolarHBondContact O-OG1 2.85Å; F644-R687 HydrophobicContact CB-CB 4.49Å; F644-R687 HydrophobicContact CD1-CB 3.7Å; F644-R687 HydrophobicContact CE1-CB 4.42Å; F644-R687 HydrophobicContact CG-CB 4.49Å; F644-R687 WeakPolarHBondContact O-CD 3.33Å; F644-R687 PolarHBondContact O-NH1 3.49Å; F644-A688 HydrophobicContact CD2-CB 4.26Å; F644-A688 HydrophobicContact CE1-CB 4.43Å; F644-A688 HydrophobicContact CE2-CB 4.22Å; F644-A688 HydrophobicContact CG-CB 4.41Å; F644-A688 HydrophobicContact CZ-CB 4.3Å; F644-L691 HydrophobicContact CE1-CB 4.25Å; F644-L691 HydrophobicContact CE1-CD2 4.07Å; F644-L691 HydrophobicContact CZ-CB 4.44Å; F644-L691 HydrophobicContact CZ-CD2 4.05Å; F644-L692 HydrophobicContact CE2-CD1 4.1Å; F644-L692 HydrophobicContact CZ-CD1 3.91Å; F644-L692 HydrophobicContact CZ-CG 4.38Å
645N96Very high94.9Very high40 Ų4050.9 Ų50.921%0.21425%0.249CC..THydrogen-bonded Turntrans-102.61.2-172.974.7-67000114.6Q642 F643 N677 Y678 T684Q642-N645 WeakPolarHBondContact CA-OD1 3.39Å; F643-N645 PolarHBondContact O-N 2.93Å; N645-N677 WeakPolarHBondContact ND2-CB 3.45Å; N645-Y678 HydrophobicContact CB-CD1 3.9Å; N645-Y678 HydrophobicContact CB-CE1 4.23Å; N645-Y678 WeakPolarHBondContact OD1-CD1 3.32Å; N645-Y678 WeakPolarHBondContact OD1-CE1 3.32Å; N645-T684 WeakPolarHBondContact CB-OG1 3.43Å
646T95.2Very high95.1Very high36 Ų3644.8 Ų44.822%0.22121%0.21CC..SBendtrans-132-179.4-177.375.60000111.5Q642 N648 Y649Q642-T646 HydrophobicContact CB-CG2 3.94Å; Q642-T646 WeakPolarHBondContact O-CG2 3.34Å; Q642-T646 PolarHBondContact O-OG1 3.18Å; T646-N648 PolarHBondContact O-N 3.11Å; T646-N648 VanDerWaalsContact O-N 3.15Å; T646-N648 VanDerWaalsContact OG1-CB 3.29Å; T646-N648 WeakPolarHBondContact OG1-CB 3.39Å; T646-N648 PolarHBondContact OG1-N 2.87Å; T646-N648 VanDerWaalsContact OG1-N 3.09Å; T646-N648 PolarHBondContact OG1-ND2 3.28Å; T646-Y649 WeakPolarHBondContact O-CB 3.19Å; T646-Y649 PolarHBondContact O-N 3.2Å
647N94.4Very high95.2Very high137 Ų13736.2 Ų36.273%0.73317%0.172SC*.G310 helixtrans-65.8-9.7172.9-68.3-10.8000113.3Y649 H650N647-Y649 PolarHBondContact O-N 2.73Å; N647-H650 PolarHBondContact O-N 3.17Å
648N96Very high95.2Very high31 Ų3140.2 Ų40.217%0.16619%0.189CC..G310 helixtrans-58.6-28.5171-71.4-30.5000112.1Q642 T646 H650 K651 W655Q642-N648 PolarHBondContact O-ND2 3.02Å; T646-N648 PolarHBondContact O-N 3.11Å; T646-N648 VanDerWaalsContact O-N 3.15Å; T646-N648 VanDerWaalsContact OG1-CB 3.29Å; T646-N648 WeakPolarHBondContact OG1-CB 3.39Å; T646-N648 PolarHBondContact OG1-N 2.87Å; T646-N648 VanDerWaalsContact OG1-N 3.09Å; T646-N648 PolarHBondContact OG1-ND2 3.28Å; N648-H650 PolarHBondContact O-N 3.21Å; N648-H650 VanDerWaalsContact O-N 3.15Å; N648-K651 VanDerWaalsContact O-CB 3.27Å; N648-K651 WeakPolarHBondContact O-CB 3.28Å; N648-K651 PolarHBondContact O-N 2.82Å; N648-K651 WeakPolarHBondContact OD1-CE 3.35Å; N648-K651 PolarHBondContact OD1-NZ 3.22Å; N648-W655 HydrophobicContact CB-CE3 4.27Å; N648-W655 HydrophobicContact CB-CH2 3.6Å; N648-W655 HydrophobicContact CB-CZ2 4.2Å; N648-W655 HydrophobicContact CB-CZ3 3.65Å; N648-W655 VanDerWaalsContact CG-CH2 3.46Å
649Y96.9Very high95.3Very high0 Ų033.2 Ų33.20%016%0.162CC..G310 helixtrans-53.6-36.1176.7-169.6-111.6000113.1P578 L579 W580 F643 F644 T646 N647 K651 G652 R687P578-Y649 VanDerWaalsContact O-CE1 3.31Å; P578-Y649 WeakPolarHBondContact O-CE1 3.42Å; L579-Y649 WeakPolarHBondContact CA-OH 3.22Å; W580-Y649 AromaticContact CD1-CD2 3.93Å; W580-Y649 AromaticContact CD1-CE1 3.85Å; W580-Y649 AromaticContact CD1-CE2 3.34Å; W580-Y649 AromaticContact CD1-CZ 3.29Å; W580-Y649 HydrophobicContact CG-CE2 4.28Å; W580-Y649 AromaticContact CG-CZ 3.96Å; W580-Y649 PolarHBondContact N-OH 3.01Å; W580-Y649 AromaticContact NE1-CE1 3.89Å; W580-Y649 AromaticContact NE1-CE2 4Å; W580-Y649 AromaticContact NE1-CZ 3.83Å; W580-Y649 PolarHBondContact NE1-O 3.48Å; F643-Y649 HydrophobicContact CD1-CD2 4.03Å; F643-Y649 HydrophobicContact CD1-CE2 4.5Å; F643-Y649 AromaticContact CE1-CD2 3.59Å; F643-Y649 HydrophobicContact CE1-CD2 3.59Å; F643-Y649 AromaticContact CE1-CE2 3.8Å; F643-Y649 HydrophobicContact CE1-CE2 3.8Å; F643-Y649 HydrophobicContact CE2-CD2 4.2Å; F643-Y649 HydrophobicContact CG-CD2 4.49Å; F643-Y649 AromaticContact CZ-CD2 3.69Å; F643-Y649 HydrophobicContact CZ-CD2 3.69Å; F643-Y649 HydrophobicContact CZ-CE2 4.08Å; F643-Y649 WeakPolarHBondContact O-CA 3.43Å; F643-Y649 WeakPolarHBondContact O-CB 3.2Å; F643-Y649 PolarHBondContact O-N 2.8Å; F643-Y649 VanDerWaalsContact O-N 3.17Å; F644-Y649 AromaticContact CD1-CD2 3.95Å; F644-Y649 HydrophobicContact CD1-CD2 3.95Å; F644-Y649 AromaticContact CD1-CE2 3.77Å; F644-Y649 HydrophobicContact CD1-CE2 3.77Å; F644-Y649 HydrophobicContact CE1-CE2 4.12Å; T646-Y649 WeakPolarHBondContact O-CB 3.19Å; T646-Y649 PolarHBondContact O-N 3.2Å; N647-Y649 PolarHBondContact O-N 2.73Å; Y649-K651 PolarHBondContact O-N 3.03Å; Y649-G652 PolarHBondContact O-N 3.35Å; Y649-R687 HydrophobicContact CD2-CB 4.5Å; Y649-R687 HydrophobicContact CE1-CG 3.97Å; Y649-R687 HydrophobicContact CE2-CB 3.79Å; Y649-R687 HydrophobicContact CE2-CG 4.03Å
650H95.2Very high95.4Very high60 Ų6031.5 Ų31.528%0.27815%0.154SC..G310 helixtrans-73.3-11.6-178.6-63.8-71.8000113.9H473 N577 N647 N648 G652H473-H650 PolarHBondContact CE1-O 3.15Å; H473-H650 VanDerWaalsContact CE1-O 3.28Å; H473-H650 PolarHBondContact ND1-O 2.89Å; N577-H650 PolarHBondContact OD1-CE1 3.43Å; N647-H650 PolarHBondContact O-N 3.17Å; N648-H650 PolarHBondContact O-N 3.21Å; N648-H650 VanDerWaalsContact O-N 3.15Å; H650-G652 PolarHBondContact O-N 3.15Å
651K94.7Very high95Very high94 Ų9432.3 Ų32.341%0.40916%0.161SC..G310 helixtrans-73.7-11.7173.9-60177.2175.7167.70113N648 Y649 W655N648-K651 VanDerWaalsContact O-CB 3.27Å; N648-K651 WeakPolarHBondContact O-CB 3.28Å; N648-K651 PolarHBondContact O-N 2.82Å; N648-K651 WeakPolarHBondContact OD1-CE 3.35Å; N648-K651 PolarHBondContact OD1-NZ 3.22Å; Y649-K651 PolarHBondContact O-N 3.03Å; K651-W655 HydrophobicContact CB-CB 3.6Å; K651-W655 HydrophobicContact CB-CD2 4.02Å; K651-W655 HydrophobicContact CB-CG 3.56Å; K651-W655 HydrophobicContact CD-CD2 3.64Å; K651-W655 HydrophobicContact CD-CE3 4.47Å; K651-W655 HydrophobicContact CD-CG 3.65Å; K651-W655 HydrophobicContact CD-CZ2 4.2Å; K651-W655 HydrophobicContact CG-CD2 4.5Å; K651-W655 HydrophobicContact CG-CG 4.29Å
652G95.1Very high94.4Very high2 Ų237.1 Ų37.12%0.02119%0.19CC..Hα-helixtrans90177.2172.700000114.3F643 Y649 H650 D654 Y656F643-G652 WeakPolarHBondContact CE2-O 3.26Å; Y649-G652 PolarHBondContact O-N 3.35Å; H650-G652 PolarHBondContact O-N 3.15Å; G652-D654 VanDerWaalsContact C-N 3.33Å; G652-D654 PolarHBondContact O-N 3.15Å; G652-Y656 PolarHBondContact O-N 3.46Å
653I94.9Very high93.3Very high9 Ų936.7 Ų36.75%0.04619%0.191CC..Hα-helixtrans-65.8-36.9-175.5-56.1173.4000111W580 P583 W655 Y656 M657 L691W580-I653 HydrophobicContact CB-CD1 3.98Å; W580-I653 HydrophobicContact CB-CG1 3.82Å; W580-I653 HydrophobicContact CD2-CG1 4.4Å; W580-I653 HydrophobicContact CG-CD1 4.49Å; W580-I653 HydrophobicContact CG-CG1 3.96Å; P583-I653 HydrophobicContact CG-CD1 3.91Å; I653-W655 PolarHBondContact O-N 2.87Å; I653-Y656 WeakPolarHBondContact O-CA 3.16Å; I653-Y656 WeakPolarHBondContact O-CB 3.46Å; I653-Y656 PolarHBondContact O-N 2.9Å; I653-M657 HydrophobicContact CG2-CG 4.09Å; I653-M657 HydrophobicContact CG2-SD 3.85Å; I653-M657 WeakPolarHBondContact O-CG 3.47Å; I653-M657 PolarHBondContact O-N 3.31Å; I653-L691 HydrophobicContact CD1-CD1 3.84Å; I653-L691 HydrophobicContact CG1-CD1 4.03Å; I653-L691 HydrophobicContact CG2-CD1 4.22Å
654D92.2Very high91.8Very high22 Ų2239.6 Ų39.612%0.11821%0.21CC..Hα-helixtrans-59-48.2-179.3-66.8-0000111.2L439 K597 G652 Y656 M657 E658L439-D654 PolarHBondContact N-OD2 3.31Å; K597-D654 VanDerWaalsContact CE-OD1 3.3Å; K597-D654 WeakPolarHBondContact CE-OD1 3.46Å; K597-D654 IonicContact NZ-OD1 2.71Å; K597-D654 PolarHBondContact NZ-OD1 2.84Å; K597-D654 IonicContact NZ-OD2 3.82Å; K597-D654 PolarHBondContact NZ-OD2 2.95Å; G652-D654 VanDerWaalsContact C-N 3.33Å; G652-D654 PolarHBondContact O-N 3.15Å; D654-Y656 PolarHBondContact O-N 3.11Å; D654-M657 PolarHBondContact O-N 2.89Å; D654-M657 VanDerWaalsContact O-N 3.15Å; D654-E658 WeakPolarHBondContact O-CG 3.2Å; D654-E658 PolarHBondContact O-N 3.05Å
655W94.4Very high89.9Confident41 Ų4148.1 Ų48.116%0.15526%0.256CS..Hα-helixtrans-58.4-36.4174.7-176.881000112.4V641 F643 N648 K651 I653 F659V641-W655 HydrophobicContact CG1-CH2 4.22Å; V641-W655 HydrophobicContact CG1-CZ3 3.96Å; F643-W655 HydrophobicContact CB-CZ3 4.16Å; F643-W655 AromaticContact CD2-CE3 3.63Å; F643-W655 HydrophobicContact CD2-CE3 3.63Å; F643-W655 AromaticContact CD2-CZ3 3.68Å; F643-W655 HydrophobicContact CD2-CZ3 3.68Å; F643-W655 HydrophobicContact CE2-CE3 4.11Å; F643-W655 HydrophobicContact CG-CZ3 4.37Å; N648-W655 HydrophobicContact CB-CE3 4.27Å; N648-W655 HydrophobicContact CB-CH2 3.6Å; N648-W655 HydrophobicContact CB-CZ2 4.2Å; N648-W655 HydrophobicContact CB-CZ3 3.65Å; N648-W655 VanDerWaalsContact CG-CH2 3.46Å; K651-W655 HydrophobicContact CB-CB 3.6Å; K651-W655 HydrophobicContact CB-CD2 4.02Å; K651-W655 HydrophobicContact CB-CG 3.56Å; K651-W655 HydrophobicContact CD-CD2 3.64Å; K651-W655 HydrophobicContact CD-CE3 4.47Å; K651-W655 HydrophobicContact CD-CG 3.65Å; K651-W655 HydrophobicContact CD-CZ2 4.2Å; K651-W655 HydrophobicContact CG-CD2 4.5Å; K651-W655 HydrophobicContact CG-CG 4.29Å; I653-W655 PolarHBondContact O-N 2.87Å; W655-F659 AromaticContact CD2-CE2 3.91Å; W655-F659 HydrophobicContact CD2-CE2 3.91Å; W655-F659 AromaticContact CE2-CE2 3.57Å; W655-F659 HydrophobicContact CE3-CD2 4.44Å; W655-F659 AromaticContact CE3-CE2 3.92Å; W655-F659 HydrophobicContact CE3-CE2 3.92Å; W655-F659 HydrophobicContact CH2-CD2 4.32Å; W655-F659 AromaticContact CH2-CE2 3.33Å; W655-F659 HydrophobicContact CH2-CE2 3.33Å; W655-F659 AromaticContact CH2-CZ 3.61Å; W655-F659 HydrophobicContact CH2-CZ 3.61Å; W655-F659 AromaticContact CZ2-CE2 3.32Å; W655-F659 HydrophobicContact CZ2-CE2 3.32Å; W655-F659 AromaticContact CZ2-CZ 3.51Å; W655-F659 HydrophobicContact CZ2-CZ 3.51Å; W655-F659 HydrophobicContact CZ3-CD2 4.24Å; W655-F659 AromaticContact CZ3-CE2 3.62Å; W655-F659 HydrophobicContact CZ3-CE2 3.62Å; W655-F659 HydrophobicContact CZ3-CZ 4.33Å; W655-F659 WeakPolarHBondContact O-CD2 3.43Å; W655-F659 WeakPolarHBondContact O-CE2 3.43Å
656Y96.1Very high87.9Confident0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-70.7-42.7177-175.3-121.2000111.9L602 P603 V641 F643 F644 G652 I653 D654 E658 F659 F660 E673 L691 L692L602-Y656 HydrophobicContact CD2-CD1 4.1Å; L602-Y656 HydrophobicContact CD2-CE1 4.32Å; P603-Y656 HydrophobicContact CG-CE1 3.99Å; P603-Y656 VanDerWaalsContact CG-OH 3.26Å; P603-Y656 WeakPolarHBondContact CG-OH 3.36Å; V641-Y656 HydrophobicContact CB-CE2 4.43Å; V641-Y656 HydrophobicContact CG1-CD2 3.82Å; V641-Y656 HydrophobicContact CG1-CE2 3.88Å; F643-Y656 HydrophobicContact CB-CD2 3.47Å; F643-Y656 VanDerWaalsContact CB-CD2 3.47Å; F643-Y656 HydrophobicContact CB-CE2 3.67Å; F643-Y656 HydrophobicContact CB-CG 4.41Å; F643-Y656 HydrophobicContact CD1-CD1 4.26Å; F643-Y656 AromaticContact CD1-CD2 3.58Å; F643-Y656 HydrophobicContact CD1-CD2 3.58Å; F643-Y656 AromaticContact CD1-CE2 3.95Å; F643-Y656 HydrophobicContact CD1-CE2 3.95Å; F643-Y656 AromaticContact CD1-CG 3.73Å; F643-Y656 HydrophobicContact CD1-CG 3.73Å; F643-Y656 HydrophobicContact CD2-CD2 4.08Å; F643-Y656 HydrophobicContact CD2-CG 4.33Å; F643-Y656 HydrophobicContact CE1-CD1 4.36Å; F643-Y656 HydrophobicContact CE1-CD2 4.3Å; F643-Y656 AromaticContact CE1-CG 3.98Å; F643-Y656 HydrophobicContact CE1-CG 3.98Å; F643-Y656 AromaticContact CG-CD2 3.45Å; F643-Y656 HydrophobicContact CG-CD2 3.45Å; F643-Y656 VanDerWaalsContact CG-CD2 3.45Å; F643-Y656 HydrophobicContact CG-CE2 4.01Å; F643-Y656 AromaticContact CG-CG 3.92Å; F643-Y656 HydrophobicContact CG-CG 3.92Å; F643-Y656 HydrophobicContact CZ-CG 4.38Å; F644-Y656 HydrophobicContact CZ-CE1 4.4Å; G652-Y656 PolarHBondContact O-N 3.46Å; I653-Y656 WeakPolarHBondContact O-CA 3.16Å; I653-Y656 WeakPolarHBondContact O-CB 3.46Å; I653-Y656 PolarHBondContact O-N 2.9Å; D654-Y656 PolarHBondContact O-N 3.11Å; Y656-E658 VanDerWaalsContact C-N 3.29Å; Y656-E658 PolarHBondContact O-N 3.26Å; Y656-F659 WeakPolarHBondContact O-CB 3.41Å; Y656-F659 PolarHBondContact O-N 2.69Å; Y656-F660 HydrophobicContact CD1-CE2 4.25Å; Y656-F660 HydrophobicContact CD2-CE2 4.23Å; Y656-F660 AromaticContact CE1-CE2 3.92Å; Y656-F660 HydrophobicContact CE1-CE2 3.92Å; Y656-F660 HydrophobicContact CE1-CZ 4.48Å; Y656-F660 AromaticContact CE2-CE2 3.91Å; Y656-F660 HydrophobicContact CE2-CE2 3.91Å; Y656-F660 HydrophobicContact CE2-CZ 4.28Å; Y656-F660 HydrophobicContact CG-CE2 4.42Å; Y656-F660 AromaticContact CZ-CE2 3.76Å; Y656-F660 VanDerWaalsContact O-CD2 3.31Å; Y656-F660 WeakPolarHBondContact O-CD2 3.42Å; Y656-F660 WeakPolarHBondContact O-CE2 3.43Å; Y656-E673 WeakPolarHBondContact CE2-OE1 3.21Å; Y656-E673 VanDerWaalsContact CZ-OE1 3.29Å; Y656-E673 PolarHBondContact OH-OE1 2.87Å; Y656-L691 HydrophobicContact CD1-CD2 4.03Å; Y656-L691 HydrophobicContact CE1-CD2 4.33Å; Y656-L692 HydrophobicContact CE1-CD1 4.29Å
657M93.4Very high86.1Confident4 Ų453.4 Ų53.42%0.0229%0.291CS..Hα-helixtrans-65.4-30.1178.8-69.9176.174.600112.8W593 K597 T598 R601 L602 I653 D654 F659 F660W593-M657 HydrophobicContact CH2-CE 3.61Å; W593-M657 HydrophobicContact CH2-SD 3.76Å; W593-M657 HydrophobicContact CZ2-CE 3.93Å; W593-M657 HydrophobicContact CZ2-SD 3.52Å; W593-M657 VanDerWaalsContact CZ2-SD 3.52Å; K597-M657 HydrophobicContact CB-CE 4.12Å; T598-M657 WeakPolarHBondContact O-CE 3.35Å; R601-M657 HydrophobicContact CB-CE 3.88Å; R601-M657 HydrophobicContact CG-CB 4.49Å; R601-M657 HydrophobicContact CG-CE 4.25Å; R601-M657 PolarHBondContact NE-O 3.09Å; R601-M657 PolarHBondContact NH2-O 3.29Å; R601-M657 VanDerWaalsContact NH2-O 3.13Å; L602-M657 HydrophobicContact CD2-CG 3.86Å; I653-M657 HydrophobicContact CG2-CG 4.09Å; I653-M657 HydrophobicContact CG2-SD 3.85Å; I653-M657 WeakPolarHBondContact O-CG 3.47Å; I653-M657 PolarHBondContact O-N 3.31Å; D654-M657 PolarHBondContact O-N 2.89Å; D654-M657 VanDerWaalsContact O-N 3.15Å; M657-F659 PolarHBondContact O-N 3.02Å; M657-F659 VanDerWaalsContact O-N 3.13Å; M657-F660 PolarHBondContact O-N 2.9Å
658E92.8Very high84.5Confident110 Ų11051.1 Ų51.151%0.51428%0.283SS..THydrogen-bonded Turntrans-56.2-26.5175.2-77.4170-170.800113.3D654 Y656 F660D654-E658 WeakPolarHBondContact O-CG 3.2Å; D654-E658 PolarHBondContact O-N 3.05Å; Y656-E658 VanDerWaalsContact C-N 3.29Å; Y656-E658 PolarHBondContact O-N 3.26Å; E658-F660 PolarHBondContact O-N 2.81Å
659F95.5Very high83.4Confident24 Ų2451.3 Ų51.311%0.10528%0.283CS..THydrogen-bonded Turntrans-72.9-14.9175.6-77.2-89.3000113.8N631 F632 V641 W655 Y656 M657N631-F659 CarbonylContact C-O 3.41Å; N631-F659 WeakPolarHBondContact CA-O 3.46Å; N631-F659 HydrophobicContact CB-CB 4.07Å; N631-F659 WeakPolarHBondContact CB-O 3.4Å; F632-F659 VanDerWaalsContact CD2-O 3.3Å; F632-F659 WeakPolarHBondContact CD2-O 3.49Å; F632-F659 PolarHBondContact N-O 2.99Å; F632-F659 WeakPolarHBondContact O-CD1 3.49Å; V641-F659 HydrophobicContact CG1-CB 4.42Å; V641-F659 HydrophobicContact CG1-CD1 4.11Å; V641-F659 HydrophobicContact CG1-CD2 3.78Å; V641-F659 HydrophobicContact CG1-CE1 4.38Å; V641-F659 HydrophobicContact CG1-CE2 4.07Å; V641-F659 HydrophobicContact CG1-CG 3.81Å; V641-F659 HydrophobicContact CG1-CZ 4.35Å; V641-F659 HydrophobicContact CG2-CB 4.25Å; V641-F659 HydrophobicContact CG2-CD1 4.08Å; V641-F659 HydrophobicContact CG2-CG 4.15Å; W655-F659 AromaticContact CD2-CE2 3.91Å; W655-F659 HydrophobicContact CD2-CE2 3.91Å; W655-F659 AromaticContact CE2-CE2 3.57Å; W655-F659 HydrophobicContact CE3-CD2 4.44Å; W655-F659 AromaticContact CE3-CE2 3.92Å; W655-F659 HydrophobicContact CE3-CE2 3.92Å; W655-F659 HydrophobicContact CH2-CD2 4.32Å; W655-F659 AromaticContact CH2-CE2 3.33Å; W655-F659 HydrophobicContact CH2-CE2 3.33Å; W655-F659 AromaticContact CH2-CZ 3.61Å; W655-F659 HydrophobicContact CH2-CZ 3.61Å; W655-F659 AromaticContact CZ2-CE2 3.32Å; W655-F659 HydrophobicContact CZ2-CE2 3.32Å; W655-F659 AromaticContact CZ2-CZ 3.51Å; W655-F659 HydrophobicContact CZ2-CZ 3.51Å; W655-F659 HydrophobicContact CZ3-CD2 4.24Å; W655-F659 AromaticContact CZ3-CE2 3.62Å; W655-F659 HydrophobicContact CZ3-CE2 3.62Å; W655-F659 HydrophobicContact CZ3-CZ 4.33Å; W655-F659 WeakPolarHBondContact O-CD2 3.43Å; W655-F659 WeakPolarHBondContact O-CE2 3.43Å; Y656-F659 WeakPolarHBondContact O-CB 3.41Å; Y656-F659 PolarHBondContact O-N 2.69Å; M657-F659 PolarHBondContact O-N 3.02Å; M657-F659 VanDerWaalsContact O-N 3.13Å
660F93.5Very high83.1Confident0 Ų053 Ų530%029%0.291CS..SBendtrans-108.9140.6-174.7-63.1-82.4000110.9R601 P603 N631 Y656 M657 E658 M671 E673R601-F660 HydrophobicContact CG-CB 3.93Å; R601-F660 PolarHBondContact NE-O 3.04Å; R601-F660 PolarHBondContact NH2-O 2.69Å; R601-F660 WeakPolarHBondContact O-CB 3.47Å; R601-F660 WeakPolarHBondContact O-CG 3.4Å; P603-F660 HydrophobicContact CB-CE1 3.76Å; P603-F660 HydrophobicContact CB-CZ 3.88Å; P603-F660 HydrophobicContact CG-CE1 3.95Å; P603-F660 HydrophobicContact CG-CE2 4.1Å; P603-F660 HydrophobicContact CG-CZ 3.53Å; N631-F660 HydrophobicContact CB-CD1 4.26Å; N631-F660 HydrophobicContact CB-CE1 3.89Å; N631-F660 HydrophobicContact CB-CZ 4.2Å; Y656-F660 HydrophobicContact CD1-CE2 4.25Å; Y656-F660 HydrophobicContact CD2-CE2 4.23Å; Y656-F660 AromaticContact CE1-CE2 3.92Å; Y656-F660 HydrophobicContact CE1-CE2 3.92Å; Y656-F660 HydrophobicContact CE1-CZ 4.48Å; Y656-F660 AromaticContact CE2-CE2 3.91Å; Y656-F660 HydrophobicContact CE2-CE2 3.91Å; Y656-F660 HydrophobicContact CE2-CZ 4.28Å; Y656-F660 HydrophobicContact CG-CE2 4.42Å; Y656-F660 AromaticContact CZ-CE2 3.76Å; Y656-F660 VanDerWaalsContact O-CD2 3.31Å; Y656-F660 WeakPolarHBondContact O-CD2 3.42Å; Y656-F660 WeakPolarHBondContact O-CE2 3.43Å; M657-F660 PolarHBondContact O-N 2.9Å; E658-F660 PolarHBondContact O-N 2.81Å; F660-M671 HydrophobicContact CB-SD 3.81Å; F660-M671 HydrophobicContact CD1-CB 4.14Å; F660-M671 HydrophobicContact CD1-SD 4.09Å; F660-M671 HydrophobicContact CG-SD 4.38Å; F660-E673 HydrophobicContact CE1-CB 4.36Å; F660-E673 HydrophobicContact CZ-CB 4.02Å; F660-E673 HydrophobicContact CZ-CG 4.45Å
661P88.6Confident83Confident35 Ų3550.2 Ų50.223%0.22728%0.278CS..PPolyproline II helixtrans-61.3151.4173.226.7-34000110.5F632 P663 M671F632-P661 HydrophobicContact CE2-CB 4.3Å; F632-P661 HydrophobicContact CZ-CB 3.86Å; P661-P663 WeakPolarHBondContact O-CD 3.45Å; P661-M671 VanDerWaalsContact CD-SD 3.58Å; P661-M671 HydrophobicContact CG-SD 3.66Å
662V83.4Confident83.1Confident100 Ų10045.7 Ų45.761%0.60626%0.259SS*.PPolyproline II helixtrans-71.3122.5169.3-178.60000107.2S664V662-S664 PolarHBondContact O-N 2.95Å
663P74.2Confident83.2Confident26 Ų2645.6 Ų45.617%0.16926%0.258CS..PPolyproline II helixtrans-56.4138.5179.1-24.333.1000111.1T598 D600 P661 M671T598-P663 HydrophobicContact CG2-CG 4.37Å; D600-P663 HydrophobicContact CB-CB 4.25Å; D600-P663 HydrophobicContact CB-CG 3.65Å; D600-P663 WeakPolarHBondContact O-CG 3.37Å; P661-P663 WeakPolarHBondContact O-CD 3.45Å; P663-M671 HydrophobicContact CG-CE 3.81Å
664S66.1Low83.4Confident60 Ų6045.4 Ų45.442%0.4226%0.256SS..PPolyproline II helixtrans-73.1145.8167.583.30000109V662 V666 S667V662-S664 PolarHBondContact O-N 2.95Å; S664-V666 PolarHBondContact O-N 3.41Å; S664-V666 PolarHBondContact OG-N 2.93Å; S664-S667 PolarHBondContact O-N 3.27Å; S664-S667 PolarHBondContact OG-N 3.28Å; S664-S667 PolarHBondContact OG-OG 2.84Å
665N58.9Low83.6Confident179 Ų17944.3 Ų44.396%0.95725%0.251SS*.THydrogen-bonded Turntrans-62.4-3.4175.1-73.4-16.6000113.5
666V55.4Low83.8Confident143 Ų14342.4 Ų42.487%0.86724%0.244SC*.THydrogen-bonded Turntrans-112.8-18.3-167.7-170.30000112.5S664S664-V666 PolarHBondContact O-N 3.41Å; S664-V666 PolarHBondContact OG-N 2.93Å
667S55.7Low83.8Confident44 Ų4444.3 Ų44.331%0.30825%0.254SS..  trans-112.5136-174.158.70000113.5S664 D669S664-S667 PolarHBondContact O-N 3.27Å; S664-S667 PolarHBondContact OG-N 3.28Å; S664-S667 PolarHBondContact OG-OG 2.84Å; S667-D669 WeakPolarHBondContact CB-OD1 3.31Å; S667-D669 PolarHBondContact O-N 3.07Å; S667-D669 PolarHBondContact OG-OD1 3.18Å; S667-D669 VanDerWaalsContact OG-OD1 3.14Å; S667-D669 PolarHBondContact OG-OD2 2.81Å
668T60.8Low84.1Confident90 Ų9044.1 Ų44.155%0.55225%0.253SS*.  trans-78.257.6167.944.60000110.6F670T668-F670 WeakPolarHBondContact O-CD2 3.32Å; T668-F670 PolarHBondContact O-N 2.87Å
669D74.4Confident84.3Confident34 Ų3438.9 Ų38.918%0.18223%0.228CC..  trans-67.8127.6-174.4-70.8-19.7000111.2K604 S667K604-D669 PolarHBondContact NZ-O 2.89Å; S667-D669 WeakPolarHBondContact CB-OD1 3.31Å; S667-D669 PolarHBondContact O-N 3.07Å; S667-D669 PolarHBondContact OG-OD1 3.18Å; S667-D669 VanDerWaalsContact OG-OD1 3.14Å; S667-D669 PolarHBondContact OG-OD2 2.81Å
670F89.2Confident84.4Confident35 Ų3539.2 Ų39.215%0.15423%0.233CC..EExtended strand (participates in β ladder)trans-94.899.6168.8-81.1-105000108.4K604 F605 S627 I628 S629 T668 L794 V796K604-F670 HydrophobicContact CB-CD1 4.28Å; K604-F670 HydrophobicContact CD-CD1 3.76Å; K604-F670 HydrophobicContact CD-CE1 4.05Å; K604-F670 HydrophobicContact CD-CG 4.15Å; F605-F670 HydrophobicContact CE1-CB 4.26Å; S627-F670 PolarHBondContact O-N 3.22Å; I628-F670 WeakPolarHBondContact CA-O 3.38Å; I628-F670 HydrophobicContact CG1-CB 4.23Å; S629-F670 PolarHBondContact N-O 2.87Å; T668-F670 WeakPolarHBondContact O-CD2 3.32Å; T668-F670 PolarHBondContact O-N 2.87Å; F670-L794 WeakPolarHBondContact CE1-O 3.47Å; F670-V796 HydrophobicContact CD2-CB 4.41Å; F670-V796 HydrophobicContact CD2-CG2 3.82Å; F670-V796 HydrophobicContact CE2-CB 4.38Å; F670-V796 HydrophobicContact CE2-CG2 4.09Å; F670-V796 HydrophobicContact CG-CG2 4.3Å
671M93.9Very high84.6Confident2 Ų240.4 Ų40.41%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-82.5142.5175.6-77.5-174.1-74.500112.5D600 P603 K604 S629 F660 P661 P663D600-M671 WeakPolarHBondContact O-CE 3.11Å; P603-M671 CarbonylContact C-O 3.58Å; P603-M671 VanDerWaalsContact CA-O 3.26Å; P603-M671 WeakPolarHBondContact CA-O 2.91Å; P603-M671 WeakPolarHBondContact CB-O 3.27Å; K604-M671 PolarHBondContact N-O 2.83Å; S629-M671 CarbonylContact O-C 3.57Å; S629-M671 VanDerWaalsContact O-CA 3.23Å; S629-M671 WeakPolarHBondContact O-CA 3.26Å; F660-M671 HydrophobicContact CB-SD 3.81Å; F660-M671 HydrophobicContact CD1-CB 4.14Å; F660-M671 HydrophobicContact CD1-SD 4.09Å; F660-M671 HydrophobicContact CG-SD 4.38Å; P661-M671 VanDerWaalsContact CD-SD 3.58Å; P661-M671 HydrophobicContact CG-SD 3.66Å; P663-M671 HydrophobicContact CG-CE 3.81Å
672F96.8Very high84.9Confident0 Ų045.7 Ų45.70%026%0.263CS..EExtended strand (participates in β ladder)trans-143.1160.917579.3-76.4000112.6F605 V607 Y619 L622 L623 I628 S629 S630 N631F605-F672 HydrophobicContact CD1-CB 3.74Å; F605-F672 HydrophobicContact CD2-CB 3.63Å; F605-F672 HydrophobicContact CD2-CG 4.27Å; F605-F672 HydrophobicContact CE1-CB 3.49Å; F605-F672 VanDerWaalsContact CE1-CB 3.49Å; F605-F672 HydrophobicContact CE1-CD1 4.21Å; F605-F672 HydrophobicContact CE1-CG 4.06Å; F605-F672 HydrophobicContact CE2-CB 3.37Å; F605-F672 HydrophobicContact CE2-CD1 4.2Å; F605-F672 AromaticContact CE2-CD2 3.82Å; F605-F672 HydrophobicContact CE2-CD2 3.82Å; F605-F672 AromaticContact CE2-CG 3.54Å; F605-F672 HydrophobicContact CE2-CG 3.54Å; F605-F672 HydrophobicContact CG-CB 3.81Å; F605-F672 HydrophobicContact CZ-CB 3.29Å; F605-F672 AromaticContact CZ-CD1 3.63Å; F605-F672 HydrophobicContact CZ-CD1 3.63Å; F605-F672 HydrophobicContact CZ-CD2 4.11Å; F605-F672 HydrophobicContact CZ-CE1 4.49Å; F605-F672 AromaticContact CZ-CG 3.41Å; F605-F672 HydrophobicContact CZ-CG 3.41Å; F605-F672 VanDerWaalsContact CZ-CG 3.41Å; F605-F672 VanDerWaalsContact O-CA 3.28Å; F605-F672 WeakPolarHBondContact O-CA 3.43Å; F605-F672 WeakPolarHBondContact O-CB 3.37Å; V607-F672 HydrophobicContact CG2-CD2 4.31Å; Y619-F672 AromaticContact CD2-CE2 3.67Å; Y619-F672 HydrophobicContact CD2-CE2 3.67Å; Y619-F672 AromaticContact CD2-CZ 3.87Å; Y619-F672 HydrophobicContact CD2-CZ 3.87Å; Y619-F672 HydrophobicContact CE2-CE2 4.27Å; Y619-F672 HydrophobicContact CE2-CZ 4.25Å; Y619-F672 HydrophobicContact CG-CE2 4.43Å; Y619-F672 HydrophobicContact CG-CZ 4.43Å; L622-F672 HydrophobicContact CB-CE1 3.87Å; L622-F672 HydrophobicContact CB-CE2 4.29Å; L622-F672 HydrophobicContact CB-CZ 3.61Å; L622-F672 HydrophobicContact CD1-CD2 4.05Å; L622-F672 HydrophobicContact CD1-CE1 4.4Å; L622-F672 HydrophobicContact CD1-CE2 3.6Å; L622-F672 HydrophobicContact CD1-CZ 3.81Å; L622-F672 HydrophobicContact CG-CZ 4.37Å; L623-F672 HydrophobicContact CD2-CE1 4.37Å; I628-F672 HydrophobicContact CG2-CD1 3.5Å; I628-F672 HydrophobicContact CG2-CE1 3.55Å; S629-F672 VanDerWaalsContact O-CD1 3.27Å; S629-F672 WeakPolarHBondContact O-CD1 3.37Å; S629-F672 PolarHBondContact O-N 2.89Å; S630-F672 WeakPolarHBondContact CA-O 3.31Å; N631-F672 PolarHBondContact N-O 3.38Å
673E97.4Very high85.5Confident0 Ų045.5 Ų45.50%026%0.255CS..EExtended strand (participates in β ladder)trans-123.1160.7162.366148.6134.700111.2M606 V607 N631 V641 Y656 F660 S675 Y678M606-E673 WeakPolarHBondContact CA-O 3.48Å; M606-E673 HydrophobicContact CG-CG 3.95Å; V607-E673 PolarHBondContact N-O 2.9Å; N631-E673 WeakPolarHBondContact OD1-CA 3.39Å; V641-E673 HydrophobicContact CG2-CB 3.92Å; Y656-E673 WeakPolarHBondContact CE2-OE1 3.21Å; Y656-E673 VanDerWaalsContact CZ-OE1 3.29Å; Y656-E673 PolarHBondContact OH-OE1 2.87Å; F660-E673 HydrophobicContact CE1-CB 4.36Å; F660-E673 HydrophobicContact CZ-CB 4.02Å; F660-E673 HydrophobicContact CZ-CG 4.45Å; E673-S675 WeakPolarHBondContact OE2-CB 3.45Å; E673-S675 PolarHBondContact OE2-OG 2.9Å; E673-Y678 VanDerWaalsContact CD-CE2 3.46Å; E673-Y678 VanDerWaalsContact CD-OH 3.27Å; E673-Y678 HydrophobicContact CG-CE2 4.47Å; E673-Y678 VanDerWaalsContact OE1-CE2 3.26Å; E673-Y678 WeakPolarHBondContact OE1-CE2 3.42Å; E673-Y678 PolarHBondContact OE1-OH 3.28Å; E673-Y678 WeakPolarHBondContact OE2-CE2 3.31Å; E673-Y678 PolarHBondContact OE2-OH 3.46Å
674K97.7Very high86.7Confident4 Ų444.2 Ų44.22%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-123.3122.8169.9174-81-160.7168.80108.5V607 T615 Y619 E639 E640V607-K674 HydrophobicContact CB-CB 3.92Å; V607-K674 HydrophobicContact CB-CG 3.92Å; V607-K674 HydrophobicContact CG1-CB 4.49Å; V607-K674 HydrophobicContact CG1-CG 3.94Å; V607-K674 WeakPolarHBondContact O-CA 3.09Å; T615-K674 WeakPolarHBondContact OG1-CE 3.48Å; Y619-K674 HydrophobicContact CD2-CB 3.82Å; E639-K674 HydrophobicContact CG-CD 4.24Å; E639-K674 IonicContact OE1-NZ 2.81Å; E639-K674 PolarHBondContact OE1-NZ 3.44Å; E639-K674 VanDerWaalsContact OE1-NZ 3.08Å; E640-K674 VanDerWaalsContact CA-O 3.23Å; E640-K674 WeakPolarHBondContact CA-O 3.44Å; E640-K674 WeakPolarHBondContact CB-O 3.46Å; E640-K674 HydrophobicContact CG-CD 3.94Å; E640-K674 WeakPolarHBondContact CG-O 3.48Å; E640-K674 WeakPolarHBondContact OE1-CE 3.48Å; E640-K674 IonicContact OE1-NZ 3.39Å; E640-K674 PolarHBondContact OE1-NZ 2.96Å
675S98.4Very high88.2Confident0 Ų041.4 Ų41.40%023%0.227CC..  trans-14299.3173.6-71.30000109V607 V608 V641 Q642 E673 N677 Y678V607-S675 PolarHBondContact O-N 3.23Å; V608-S675 CarbonylContact C-O 3.26Å; V608-S675 VanDerWaalsContact O-O 3.04Å; V641-S675 PolarHBondContact N-OG 3.2Å; Q642-S675 PolarHBondContact N-OG 2.78Å; E673-S675 WeakPolarHBondContact OE2-CB 3.45Å; E673-S675 PolarHBondContact OE2-OG 2.9Å; S675-N677 PolarHBondContact O-N 3.27Å; S675-N677 VanDerWaalsContact O-N 3.09Å; S675-Y678 VanDerWaalsContact CB-CE1 3.44Å; S675-Y678 VanDerWaalsContact CB-CE2 3.49Å; S675-Y678 VanDerWaalsContact O-CB 3.27Å; S675-Y678 WeakPolarHBondContact O-CB 3.13Å; S675-Y678 PolarHBondContact O-N 2.94Å
676A97.6Very high90.1Very high1 Ų138.4 Ų38.41%0.00820%0.203CC..THydrogen-bonded Turntrans-70.7-12.6-167.300000114.5V608 Q611 T615 E640 Y678V608-A676 CarbonylContact O-C 3.45Å; V608-A676 WeakPolarHBondContact O-CA 3.45Å; Q611-A676 HydrophobicContact CB-CB 4.33Å; Q611-A676 HydrophobicContact CG-CB 3.68Å; T615-A676 HydrophobicContact CG2-CB 4.2Å; E640-A676 PolarHBondContact OE1-N 3.2Å; A676-Y678 VanDerWaalsContact C-N 3.31Å
677N96.5Very high92.1Very high40 Ų4033 Ų3321%0.21417%0.166CC..THydrogen-bonded Turntrans-82.6-6.8174.4-71.8-34.5000113.3Q611 N645 S675 P680 S681Q611-N677 PolarHBondContact NE2-OD1 3.3Å; Q611-N677 PolarHBondContact OE1-OD1 3.45Å; N645-N677 WeakPolarHBondContact ND2-CB 3.45Å; S675-N677 PolarHBondContact O-N 3.27Å; S675-N677 VanDerWaalsContact O-N 3.09Å; N677-P680 WeakPolarHBondContact O-CD 3.32Å; N677-S681 WeakPolarHBondContact O-CB 3.26Å
678Y98.6Very high94.1Very high0 Ų030.9 Ų30.90%015%0.152CC..THydrogen-bonded Turntrans-67.3-40175.8-72.8-1.9000111.8M606 V608 F643 F644 N645 E673 S675 A676 S681 T684M606-Y678 HydrophobicContact SD-CD2 4.46Å; M606-Y678 HydrophobicContact SD-CE2 4.18Å; V608-Y678 HydrophobicContact CG1-CD2 4.33Å; F643-Y678 PolarHBondContact N-OH 3.42Å; F644-Y678 HydrophobicContact CB-CD1 4.47Å; F644-Y678 HydrophobicContact CB-CE1 3.99Å; F644-Y678 HydrophobicContact CD2-CD2 4.42Å; F644-Y678 HydrophobicContact CD2-CE1 4.32Å; F644-Y678 AromaticContact CD2-CE2 3.65Å; F644-Y678 HydrophobicContact CD2-CE2 3.65Å; F644-Y678 AromaticContact CD2-CZ 3.6Å; F644-Y678 HydrophobicContact CE2-CE2 4.38Å; F644-Y678 PolarHBondContact N-OH 3.06Å; N645-Y678 HydrophobicContact CB-CD1 3.9Å; N645-Y678 HydrophobicContact CB-CE1 4.23Å; N645-Y678 WeakPolarHBondContact OD1-CD1 3.32Å; N645-Y678 WeakPolarHBondContact OD1-CE1 3.32Å; E673-Y678 VanDerWaalsContact CD-CE2 3.46Å; E673-Y678 VanDerWaalsContact CD-OH 3.27Å; E673-Y678 HydrophobicContact CG-CE2 4.47Å; E673-Y678 VanDerWaalsContact OE1-CE2 3.26Å; E673-Y678 WeakPolarHBondContact OE1-CE2 3.42Å; E673-Y678 PolarHBondContact OE1-OH 3.28Å; E673-Y678 WeakPolarHBondContact OE2-CE2 3.31Å; E673-Y678 PolarHBondContact OE2-OH 3.46Å; S675-Y678 VanDerWaalsContact CB-CE1 3.44Å; S675-Y678 VanDerWaalsContact CB-CE2 3.49Å; S675-Y678 VanDerWaalsContact O-CB 3.27Å; S675-Y678 WeakPolarHBondContact O-CB 3.13Å; S675-Y678 PolarHBondContact O-N 2.94Å; A676-Y678 VanDerWaalsContact C-N 3.31Å; Y678-S681 WeakPolarHBondContact O-CB 3.37Å; Y678-S681 PolarHBondContact O-N 3.47Å; Y678-T684 HydrophobicContact CD1-CG2 3.91Å; Y678-T684 HydrophobicContact CD2-CG2 4.11Å; Y678-T684 HydrophobicContact CG-CG2 3.64Å
679F98.5Very high95.9Very high0 Ų027.4 Ų27.40%013%0.133CC..THydrogen-bonded Turntrans-55.2-53.5-176.3-177.1-95.9000113.6V608 P610 S681 T699 L701 Y755 H758 L759 W762V608-F679 HydrophobicContact CG2-CB 4.27Å; V608-F679 HydrophobicContact CG2-CD2 4.13Å; V608-F679 WeakPolarHBondContact O-CB 3.28Å; V608-F679 PolarHBondContact O-N 2.89Å; P610-F679 HydrophobicContact CB-CB 4.28Å; P610-F679 HydrophobicContact CB-CD1 3.65Å; P610-F679 HydrophobicContact CB-CE1 4.29Å; P610-F679 HydrophobicContact CB-CG 4.18Å; P610-F679 HydrophobicContact CG-CD1 3.68Å; P610-F679 HydrophobicContact CG-CE1 3.84Å; P610-F679 HydrophobicContact CG-CG 4.25Å; F679-S681 VanDerWaalsContact C-N 3.34Å; F679-S681 PolarHBondContact O-N 2.97Å; F679-T699 VanDerWaalsContact CD2-OG1 3.29Å; F679-T699 WeakPolarHBondContact CD2-OG1 3.46Å; F679-T699 HydrophobicContact CE2-CG2 4.22Å; F679-T699 VanDerWaalsContact CE2-OG1 3.28Å; F679-T699 WeakPolarHBondContact CE2-OG1 3.28Å; F679-L701 HydrophobicContact CZ-CD2 4.16Å; F679-Y755 AromaticContact CE1-CD1 3.89Å; F679-Y755 HydrophobicContact CE1-CD1 3.89Å; F679-Y755 HydrophobicContact CZ-CD1 4.21Å; F679-H758 HydrophobicContact CD1-CB 3.8Å; F679-H758 AromaticContact CD1-CD2 4Å; F679-H758 HydrophobicContact CE1-CB 3.35Å; F679-H758 AromaticContact CE1-CD2 3.6Å; F679-H758 AromaticContact CE1-CG 3.77Å; F679-H758 HydrophobicContact CE2-CB 4.22Å; F679-H758 HydrophobicContact CG-CB 4.42Å; F679-H758 HydrophobicContact CZ-CB 3.6Å; F679-L759 HydrophobicContact CE2-CD2 4.03Å; F679-L759 HydrophobicContact CE2-CG 4.04Å; F679-L759 HydrophobicContact CZ-CG 4.14Å; F679-W762 PolarHBondContact O-NE1 3.35Å
680P97.3Very high97Very high31 Ų3126.4 Ų26.420%0.20113%0.129CC..THydrogen-bonded Turntrans-79.8-11.7179.133.3-38000114.3N677 P752 R761N677-P680 WeakPolarHBondContact O-CD 3.32Å; P680-P752 HydrophobicContact CB-CB 4.07Å; P680-P752 HydrophobicContact CB-CG 4.41Å; P680-P752 HydrophobicContact CG-CB 4.26Å; P680-R761 PolarHBondContact O-NH1 3.31Å; P680-R761 PolarHBondContact O-NH2 3.21Å
681S97.2Very high97.4Very high24 Ų2424.8 Ų24.817%0.16812%0.122CC..  trans-67.4131.1-177173.90000111.6N677 Y678 F679 T684 P685 R761N677-S681 WeakPolarHBondContact O-CB 3.26Å; Y678-S681 WeakPolarHBondContact O-CB 3.37Å; Y678-S681 PolarHBondContact O-N 3.47Å; F679-S681 VanDerWaalsContact C-N 3.34Å; F679-S681 PolarHBondContact O-N 2.97Å; S681-T684 WeakPolarHBondContact CB-OG1 3.3Å; S681-T684 WeakPolarHBondContact OG-CB 3.39Å; S681-T684 PolarHBondContact OG-N 2.78Å; S681-T684 PolarHBondContact OG-OG1 3.2Å; S681-P685 WeakPolarHBondContact O-CD 3.35Å; S681-R761 VanDerWaalsContact C-NH1 3.31Å; S681-R761 PolarHBondContact O-NH1 2.98Å
682E95.9Very high97.6Very high146 Ų14625 Ų2568%0.68212%0.123SC*.SBendtrans-72.8-39.3-179-65.7-175.1167.100112.4
683E95.8Very high97.6Very high96 Ų9627.1 Ų27.145%0.44914%0.137SC..SBendtrans-81.2-24.5-176.6-66.5-61.1134.700113.5R686 R687E683-R686 PolarHBondContact O-N 3.48Å; E683-R687 WeakPolarHBondContact O-CG 3.1Å; E683-R687 PolarHBondContact O-N 3.32Å; E683-R687 VanDerWaalsContact O-N 3.07Å
684T98.3Very high97.6Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-62.3-46.6-169.9-67.10000113.8F644 N645 Y678 S681 R686 R687 A688 W762F644-T684 HydrophobicContact CB-CG2 3.59Å; F644-T684 HydrophobicContact CG-CG2 4.34Å; F644-T684 PolarHBondContact O-OG1 2.85Å; N645-T684 WeakPolarHBondContact CB-OG1 3.43Å; Y678-T684 HydrophobicContact CD1-CG2 3.91Å; Y678-T684 HydrophobicContact CD2-CG2 4.11Å; Y678-T684 HydrophobicContact CG-CG2 3.64Å; S681-T684 WeakPolarHBondContact CB-OG1 3.3Å; S681-T684 WeakPolarHBondContact OG-CB 3.39Å; S681-T684 PolarHBondContact OG-N 2.78Å; S681-T684 PolarHBondContact OG-OG1 3.2Å; T684-R686 VanDerWaalsContact C-N 3.32Å; T684-R686 PolarHBondContact O-N 2.7Å; T684-R687 PolarHBondContact O-N 2.73Å; T684-A688 WeakPolarHBondContact O-CB 3.48Å; T684-A688 PolarHBondContact O-N 2.99Å; T684-W762 HydrophobicContact CG2-CH2 3.78Å; T684-W762 HydrophobicContact CG2-CZ2 3.84Å
685P98.5Very high97.5Very high1 Ų134.5 Ų34.51%0.00617%0.169CC..Hα-helixtrans-53.8-46.7178-28.335.9000113.2S681 A689 R761 W762 Y765S681-P685 WeakPolarHBondContact O-CD 3.35Å; P685-A689 VanDerWaalsContact O-CB 3.3Å; P685-A689 WeakPolarHBondContact O-CB 3.37Å; P685-A689 PolarHBondContact O-N 2.58Å; P685-R761 HydrophobicContact CG-CB 4.46Å; P685-W762 HydrophobicContact CB-CD2 4.2Å; P685-W762 HydrophobicContact CB-CE3 4.28Å; P685-W762 HydrophobicContact CG-CD2 3.83Å; P685-W762 HydrophobicContact CG-CE3 4.35Å; P685-W762 HydrophobicContact CG-CG 4.01Å; P685-W762 HydrophobicContact CG-CZ2 4.21Å; P685-Y765 HydrophobicContact CB-CD2 3.54Å; P685-Y765 HydrophobicContact CB-CE2 4.15Å; P685-Y765 HydrophobicContact CB-CG 4.35Å
686R97.8Very high97.6Very high116 Ų11637.3 Ų37.344%0.43818%0.181SC..Hα-helixtrans-62.9-47.9178.5-179.3-178.6161.2139.9-5.7112.1L579 E683 T684 A690 Y765L579-R686 HydrophobicContact CD1-CG 4.23Å; E683-R686 PolarHBondContact O-N 3.48Å; T684-R686 VanDerWaalsContact C-N 3.32Å; T684-R686 PolarHBondContact O-N 2.7Å; R686-A690 PolarHBondContact O-N 3.16Å; R686-A690 VanDerWaalsContact O-N 3.12Å; R686-Y765 HydrophobicContact CB-CD1 4.42Å; R686-Y765 HydrophobicContact CB-CE1 3.85Å; R686-Y765 HydrophobicContact CB-CE2 3.93Å; R686-Y765 HydrophobicContact CG-CE1 3.92Å
687R98.1Very high97.6Very high28 Ų2837.3 Ų37.311%0.10618%0.182CC..Hα-helixtrans-67.7-39.7-178.7-68174176.6-171.3-6.4112.1L579 F644 Y649 E683 T684 L691L579-R687 HydrophobicContact CD1-CG 4.22Å; F644-R687 HydrophobicContact CB-CB 4.49Å; F644-R687 HydrophobicContact CD1-CB 3.7Å; F644-R687 HydrophobicContact CE1-CB 4.42Å; F644-R687 HydrophobicContact CG-CB 4.49Å; F644-R687 WeakPolarHBondContact O-CD 3.33Å; F644-R687 PolarHBondContact O-NH1 3.49Å; Y649-R687 HydrophobicContact CD2-CB 4.5Å; Y649-R687 HydrophobicContact CE1-CG 3.97Å; Y649-R687 HydrophobicContact CE2-CB 3.79Å; Y649-R687 HydrophobicContact CE2-CG 4.03Å; E683-R687 WeakPolarHBondContact O-CG 3.1Å; E683-R687 PolarHBondContact O-N 3.32Å; E683-R687 VanDerWaalsContact O-N 3.07Å; T684-R687 PolarHBondContact O-N 2.73Å; R687-L691 PolarHBondContact O-N 2.64Å
688A98.5Very high97.7Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-65.6-46.5176.800000110.9M606 F644 T684 A690 L691 L692 W762 Y766M606-A688 HydrophobicContact CE-CB 3.76Å; F644-A688 HydrophobicContact CD2-CB 4.26Å; F644-A688 HydrophobicContact CE1-CB 4.43Å; F644-A688 HydrophobicContact CE2-CB 4.22Å; F644-A688 HydrophobicContact CG-CB 4.41Å; F644-A688 HydrophobicContact CZ-CB 4.3Å; T684-A688 WeakPolarHBondContact O-CB 3.48Å; T684-A688 PolarHBondContact O-N 2.99Å; A688-A690 VanDerWaalsContact C-N 3.31Å; A688-A690 PolarHBondContact O-N 3.02Å; A688-L691 PolarHBondContact O-N 3.37Å; A688-L692 CarbonylContact O-C 3.54Å; A688-L692 VanDerWaalsContact O-CA 3.32Å; A688-L692 WeakPolarHBondContact O-CA 3.5Å; A688-L692 WeakPolarHBondContact O-CB 3.41Å; A688-L692 PolarHBondContact O-N 2.91Å; A688-W762 HydrophobicContact CB-CZ3 4.44Å; A688-Y766 HydrophobicContact CB-CE2 4.33Å; A688-Y766 PolarHBondContact O-OH 3.26Å
689A98.3Very high97.7Very high18 Ų1835.5 Ų35.515%0.14917%0.172CC..Hα-helixtrans-66.1-31.9179.100000113.3P685 P693 Y765 Y766P685-A689 VanDerWaalsContact O-CB 3.3Å; P685-A689 WeakPolarHBondContact O-CB 3.37Å; P685-A689 PolarHBondContact O-N 2.58Å; A689-P693 VanDerWaalsContact O-CA 3.26Å; A689-P693 WeakPolarHBondContact O-CA 3.49Å; A689-P693 VanDerWaalsContact O-CB 3.32Å; A689-P693 WeakPolarHBondContact O-CB 3.23Å; A689-P693 WeakPolarHBondContact O-CD 3.43Å; A689-Y765 HydrophobicContact CB-CD1 4.42Å; A689-Y765 HydrophobicContact CB-CG 4.39Å; A689-Y766 WeakPolarHBondContact CA-OH 3.47Å; A689-Y766 HydrophobicContact CB-CD2 4.45Å; A689-Y766 HydrophobicContact CB-CE2 3.84Å; A689-Y766 PolarHBondContact N-OH 2.99Å
690A97.2Very high97.7Very high13 Ų1335.5 Ų35.511%0.10717%0.172CC..Hα-helixtrans-64.5-43.7174.500000112.4L579 W580 Q581 N582 R686 A688L579-A690 HydrophobicContact CD1-CB 3.78Å; L579-A690 HydrophobicContact CD2-CB 4.2Å; L579-A690 HydrophobicContact CG-CB 3.75Å; W580-A690 CarbonylContact O-C 3.43Å; W580-A690 VanDerWaalsContact O-C 3.3Å; W580-A690 WeakPolarHBondContact O-CB 3.45Å; Q581-A690 CarbonylContact C-O 3.47Å; Q581-A690 VanDerWaalsContact CA-O 3.31Å; Q581-A690 WeakPolarHBondContact CA-O 2.89Å; N582-A690 PolarHBondContact N-O 3.07Å; R686-A690 PolarHBondContact O-N 3.16Å; R686-A690 VanDerWaalsContact O-N 3.12Å; A688-A690 VanDerWaalsContact C-N 3.31Å; A688-A690 PolarHBondContact O-N 3.02Å
691L97.7Very high97.7Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-88-34.1-177.5-177.758.8000113.3W580 N582 F643 F644 I653 Y656 R687 A688 P693W580-L691 PolarHBondContact O-N 3.12Å; N582-L691 VanDerWaalsContact CB-O 3.22Å; N582-L691 WeakPolarHBondContact CB-O 3.34Å; F643-L691 HydrophobicContact CE1-CD2 3.88Å; F644-L691 HydrophobicContact CE1-CB 4.25Å; F644-L691 HydrophobicContact CE1-CD2 4.07Å; F644-L691 HydrophobicContact CZ-CB 4.44Å; F644-L691 HydrophobicContact CZ-CD2 4.05Å; I653-L691 HydrophobicContact CD1-CD1 3.84Å; I653-L691 HydrophobicContact CG1-CD1 4.03Å; I653-L691 HydrophobicContact CG2-CD1 4.22Å; Y656-L691 HydrophobicContact CD1-CD2 4.03Å; Y656-L691 HydrophobicContact CE1-CD2 4.33Å; R687-L691 PolarHBondContact O-N 2.64Å; A688-L691 PolarHBondContact O-N 3.37Å; L691-P693 VanDerWaalsContact C-CD 3.45Å
692L97.6Very high97.7Very high8 Ų834 Ų344%0.04216%0.16CC..  trans-131.458.6-171.4-54.6175.3000110.9L602 P603 M606 F644 Y656 A688 K694 A695 Y766L602-L692 HydrophobicContact CB-CD2 3.82Å; L602-L692 HydrophobicContact CD1-CD2 4.14Å; L602-L692 HydrophobicContact CD2-CD2 4.31Å; L602-L692 HydrophobicContact CG-CD2 4.32Å; P603-L692 HydrophobicContact CG-CD1 3.87Å; M606-L692 HydrophobicContact CE-CD1 4.08Å; M606-L692 HydrophobicContact SD-CD1 3.89Å; F644-L692 HydrophobicContact CE2-CD1 4.1Å; F644-L692 HydrophobicContact CZ-CD1 3.91Å; F644-L692 HydrophobicContact CZ-CG 4.38Å; Y656-L692 HydrophobicContact CE1-CD1 4.29Å; A688-L692 CarbonylContact O-C 3.54Å; A688-L692 VanDerWaalsContact O-CA 3.32Å; A688-L692 WeakPolarHBondContact O-CA 3.5Å; A688-L692 WeakPolarHBondContact O-CB 3.41Å; A688-L692 PolarHBondContact O-N 2.91Å; L692-K694 PolarHBondContact O-N 3.47Å; L692-A695 HydrophobicContact CB-CB 3.8Å; L692-A695 WeakPolarHBondContact O-CB 3.4Å; L692-A695 PolarHBondContact O-N 3.35Å; L692-A695 VanDerWaalsContact O-N 3.11Å; L692-Y766 PolarHBondContact O-OH 2.83Å
693P97.1Very high97.8Very high44 Ų4427.4 Ų27.429%0.28613%0.129SC..THydrogen-bonded Turntrans-61.5-31.3-173.722.6-32.9000113D585 A689 L691 Q770D585-P693 VanDerWaalsContact OD2-CG 3.25Å; D585-P693 WeakPolarHBondContact OD2-CG 3.26Å; A689-P693 VanDerWaalsContact O-CA 3.26Å; A689-P693 WeakPolarHBondContact O-CA 3.49Å; A689-P693 VanDerWaalsContact O-CB 3.32Å; A689-P693 WeakPolarHBondContact O-CB 3.23Å; A689-P693 WeakPolarHBondContact O-CD 3.43Å; L691-P693 VanDerWaalsContact C-CD 3.45Å; P693-Q770 PolarHBondContact O-NE2 3.17Å
694K96.3Very high97.9Very high155 Ų15522.8 Ų22.867%0.67411%0.108SC*.THydrogen-bonded Turntrans-90.9-0.9-178.2-61.3171.6-169.5153.80113.6D585 L692 Q770D585-K694 IonicContact OD1-NZ 3.7Å; D585-K694 PolarHBondContact OD1-NZ 3.3Å; L692-K694 PolarHBondContact O-N 3.47Å; K694-Q770 VanDerWaalsContact C-NE2 3.33Å
695A97.4Very high97.9Very high3 Ų322.9 Ų22.93%0.02511%0.109CC..  trans-67.2142.7-177.100000111.9K604 M606 L692 Y766 Q770K604-A695 CarbonylContact O-C 3.44Å; K604-A695 WeakPolarHBondContact O-CA 3.23Å; M606-A695 HydrophobicContact CE-CB 4.27Å; L692-A695 HydrophobicContact CB-CB 3.8Å; L692-A695 WeakPolarHBondContact O-CB 3.4Å; L692-A695 PolarHBondContact O-N 3.35Å; L692-A695 VanDerWaalsContact O-N 3.11Å; A695-Y766 VanDerWaalsContact O-CE1 3.32Å; A695-Y766 WeakPolarHBondContact O-CE1 3.39Å; A695-Q770 PolarHBondContact O-NE2 3.32Å
696K98.5Very high97.8Very high59 Ų5925 Ų2526%0.25712%0.119SC..EExtended strand (participates in β ladder)trans-81.3141.7168.9-62.2-71.8-174.5158.30110K604 F605 M606 N769 Q770 F793 L794K604-K696 PolarHBondContact O-N 3.32Å; F605-K696 CarbonylContact C-O 3.45Å; F605-K696 WeakPolarHBondContact CA-O 3.48Å; F605-K696 HydrophobicContact CB-CB 3.73Å; F605-K696 WeakPolarHBondContact CB-O 3.47Å; M606-K696 PolarHBondContact N-O 3.22Å; K696-N769 PolarHBondContact NZ-O 2.98Å; K696-Q770 CarbonylContact C-O 3.45Å; K696-Q770 HydrophobicContact CD-CB 4.37Å; K696-Q770 HydrophobicContact CD-CG 4.2Å; K696-F793 HydrophobicContact CB-CE1 3.63Å; K696-F793 HydrophobicContact CB-CZ 3.85Å; K696-F793 HydrophobicContact CD-CE1 4.1Å; K696-F793 HydrophobicContact CD-CE2 3.98Å; K696-F793 HydrophobicContact CD-CZ 3.63Å; K696-F793 HydrophobicContact CG-CE1 4.16Å; K696-F793 HydrophobicContact CG-CZ 4.19Å; K696-L794 HydrophobicContact CB-CD2 4.13Å; K696-L794 HydrophobicContact CG-CD2 4.38Å
697I98.8Very high97.9Very high2 Ų219.4 Ų19.41%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-112.7124.5-177.9-53.8-54.3000108.6M606 V608 W762 Y766 Q770 V771 M772M606-I697 HydrophobicContact CB-CD1 4.47Å; M606-I697 HydrophobicContact CE-CD1 3.45Å; M606-I697 VanDerWaalsContact CE-CD1 3.45Å; V608-I697 HydrophobicContact CB-CG2 4.45Å; V608-I697 HydrophobicContact CG1-CG2 3.8Å; V608-I697 HydrophobicContact CG2-CG2 3.76Å; I697-W762 HydrophobicContact CD1-CE3 4.16Å; I697-W762 HydrophobicContact CD1-CZ3 3.63Å; I697-W762 HydrophobicContact CG1-CE3 4.01Å; I697-W762 HydrophobicContact CG1-CZ3 4.01Å; I697-W762 HydrophobicContact CG2-CD2 4.31Å; I697-W762 HydrophobicContact CG2-CE3 3.83Å; I697-W762 HydrophobicContact CG2-CZ3 4.04Å; I697-Y766 HydrophobicContact CD1-CD1 4.36Å; I697-Y766 HydrophobicContact CD1-CD2 4.33Å; I697-Y766 HydrophobicContact CD1-CE1 4.04Å; I697-Y766 HydrophobicContact CD1-CE2 3.99Å; I697-Y766 HydrophobicContact CD1-CG 4.49Å; I697-Y766 HydrophobicContact CG1-CD1 3.91Å; I697-Y766 HydrophobicContact CG1-CD2 3.98Å; I697-Y766 HydrophobicContact CG1-CE1 4.11Å; I697-Y766 HydrophobicContact CG1-CE2 4.16Å; I697-Y766 HydrophobicContact CG1-CG 3.84Å; I697-Q770 PolarHBondContact N-O 3.46Å; I697-V771 HydrophobicContact CB-CG2 4.25Å; I697-V771 CarbonylContact O-C 3.45Å; I697-V771 WeakPolarHBondContact O-CA 3.11Å; I697-M772 PolarHBondContact O-N 3.18Å
698I98.7Very high97.9Very high0 Ų018.1 Ų18.10%09%0.094CC..EExtended strand (participates in β ladder)trans-116.5127.1176.8-57.8177.9000109.2F605 M606 V607 V608 L618 M772 I774 V790 F793 L794F605-I698 HydrophobicContact CD2-CD1 3.84Å; F605-I698 HydrophobicContact CE2-CD1 4.07Å; M606-I698 PolarHBondContact O-N 3.13Å; V607-I698 CarbonylContact C-O 3.58Å; V607-I698 WeakPolarHBondContact CA-O 3.32Å; V607-I698 HydrophobicContact CG2-CB 4.31Å; V608-I698 PolarHBondContact N-O 2.01Å; L618-I698 HydrophobicContact CD2-CG2 3.85Å; I698-M772 HydrophobicContact CG1-CB 4.4Å; I698-I774 HydrophobicContact CG2-CD1 3.47Å; I698-I774 VanDerWaalsContact CG2-CD1 3.47Å; I698-I774 HydrophobicContact CG2-CG1 4.21Å; I698-V790 HydrophobicContact CD1-CG1 4.1Å; I698-F793 HydrophobicContact CD1-CD1 4.42Å; I698-F793 HydrophobicContact CD1-CE1 4.41Å; I698-F793 HydrophobicContact CG1-CD1 4.3Å; I698-F793 HydrophobicContact CG1-CE1 3.86Å; I698-L794 HydrophobicContact CD1-CD2 4.35Å
699T98.5Very high97.8Very high1 Ų118.8 Ų18.81%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-128.1151.5173.9-174.80000110.8G609 F679 L759 M772 I773 I774G609-T699 VanDerWaalsContact O-CA 3.31Å; G609-T699 WeakPolarHBondContact O-CA 3.33Å; G609-T699 WeakPolarHBondContact O-CB 3.39Å; G609-T699 PolarHBondContact O-OG1 3.49Å; F679-T699 VanDerWaalsContact CD2-OG1 3.29Å; F679-T699 WeakPolarHBondContact CD2-OG1 3.46Å; F679-T699 HydrophobicContact CE2-CG2 4.22Å; F679-T699 VanDerWaalsContact CE2-OG1 3.28Å; F679-T699 WeakPolarHBondContact CE2-OG1 3.28Å; T699-L759 HydrophobicContact CG2-CD2 4.01Å; T699-M772 PolarHBondContact N-O 3.39Å; T699-I773 HydrophobicContact CG2-CB 4.32Å; T699-I773 HydrophobicContact CG2-CG1 3.88Å; T699-I773 HydrophobicContact CG2-CG2 4.37Å; T699-I774 PolarHBondContact O-N 3.08Å
700L97.9Very high97.8Very high0 Ų018.8 Ų18.80%010%0.095CC..EExtended strand (participates in β ladder)trans-124.2130.6-179.8-51.190.5000110.2V607 G609 P610 T613 T615 L618 I774 L779V607-L700 HydrophobicContact CG1-CD1 3.89Å; G609-L700 PolarHBondContact O-N 3.31Å; P610-L700 WeakPolarHBondContact CD-O 3.41Å; T613-L700 WeakPolarHBondContact CB-O 3.44Å; T613-L700 WeakPolarHBondContact CG2-O 3.19Å; T613-L700 PolarHBondContact OG1-O 3.37Å; T615-L700 HydrophobicContact CG2-CD1 3.81Å; L618-L700 HydrophobicContact CB-CD2 4.2Å; L618-L700 HydrophobicContact CD2-CD1 3.86Å; L618-L700 HydrophobicContact CD2-CD2 4.08Å; L618-L700 HydrophobicContact CD2-CG 4.23Å; L700-I774 CarbonylContact C-O 3.54Å; L700-I774 WeakPolarHBondContact CA-O 3.4Å; L700-I774 HydrophobicContact CB-CB 4.4Å; L700-I774 HydrophobicContact CD2-CB 4.43Å; L700-I774 HydrophobicContact CD2-CG2 4.11Å; L700-I774 HydrophobicContact CG-CB 4.06Å; L700-I774 HydrophobicContact CG-CD1 4.39Å; L700-I774 HydrophobicContact CG-CG2 4.28Å; L700-L779 HydrophobicContact CD2-CD2 3.33Å
701L98.1Very high97.8Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans-117.2133.9-179.7-49.7-178.3000110.7F679 Y755 L759 I773 I774 G776 L857 W871F679-L701 HydrophobicContact CZ-CD2 4.16Å; L701-Y755 HydrophobicContact CB-CD2 4.33Å; L701-Y755 HydrophobicContact CB-CE2 4.21Å; L701-Y755 HydrophobicContact CD1-CD2 4.17Å; L701-Y755 HydrophobicContact CD1-CG 4.31Å; L701-Y755 HydrophobicContact CD2-CD1 3.8Å; L701-Y755 HydrophobicContact CD2-CD2 4.03Å; L701-Y755 HydrophobicContact CD2-CE1 4.09Å; L701-Y755 HydrophobicContact CD2-CE2 4.31Å; L701-Y755 HydrophobicContact CD2-CG 3.77Å; L701-Y755 HydrophobicContact CG-CD2 4.41Å; L701-L759 HydrophobicContact CD1-CD1 4.38Å; L701-I773 HydrophobicContact CD1-CG2 3.59Å; L701-I773 HydrophobicContact CG-CG2 3.89Å; L701-I774 PolarHBondContact N-O 3.15Å; L701-G776 PolarHBondContact O-N 2.72Å; L701-L857 HydrophobicContact CD1-CD1 4.29Å; L701-L857 HydrophobicContact CD1-CD2 4.22Å; L701-W871 HydrophobicContact CB-CZ2 3.97Å; L701-W871 PolarHBondContact O-NE1 2.71Å
702I97.5Very high97.9Very high24 Ų2419.4 Ų19.412%0.12310%0.095CC..  trans-121.1176.9166.966.9173.8000108.3K612 T613 P704 R707 Y755 W871K612-I702 WeakPolarHBondContact O-CD1 3.42Å; T613-I702 HydrophobicContact CG2-CG1 4.16Å; I702-P704 VanDerWaalsContact O-N 3.13Å; I702-R707 HydrophobicContact CD1-CB 4Å; I702-R707 HydrophobicContact CG1-CB 3.84Å; I702-Y755 VanDerWaalsContact O-CE2 3.27Å; I702-Y755 WeakPolarHBondContact O-CE2 3.44Å; I702-Y755 PolarHBondContact O-OH 2.93Å; I702-Y755 VanDerWaalsContact O-OH 3.11Å; I702-W871 VanDerWaalsContact C-CE2 3.43Å; I702-W871 WeakPolarHBondContact O-CZ2 3.45Å
703N97.5Very high97.9Very high7 Ų719.7 Ų19.74%0.03710%0.096CC..  trans-51.4123.6173.4-172.3-52.2000110.6S705 D706 R707 W871 E875N703-S705 PolarHBondContact O-N 3.06Å; N703-S705 VanDerWaalsContact O-N 3.14Å; N703-S705 WeakPolarHBondContact OD1-CB 3.37Å; N703-S705 PolarHBondContact OD1-N 3.48Å; N703-S705 PolarHBondContact OD1-OG 3.18Å; N703-S705 VanDerWaalsContact OD1-OG 3.14Å; N703-D706 HydrophobicContact CB-CB 4.3Å; N703-D706 WeakPolarHBondContact CB-OD2 3.48Å; N703-D706 PolarHBondContact O-N 3.09Å; N703-R707 PolarHBondContact O-N 3.11Å; N703-W871 HydrophobicContact CB-CB 4.21Å; N703-W871 HydrophobicContact CB-CD2 4.29Å; N703-W871 HydrophobicContact CB-CE3 4.15Å; N703-W871 HydrophobicContact CB-CG 4.34Å; N703-E875 WeakPolarHBondContact ND2-CG 3Å; N703-E875 PolarHBondContact ND2-OE1 2.83Å; N703-E875 VanDerWaalsContact ND2-OE1 3.16Å
704P98Very high97.8Very high0 Ų019.6 Ų19.60%09%0.092CC..Hα-helixtrans-62.8-26.4-173.425.3-35.3000112.3I702 A708 Y755 Y850 W871I702-P704 VanDerWaalsContact O-N 3.13Å; P704-A708 WeakPolarHBondContact O-CB 3.36Å; P704-A708 PolarHBondContact O-N 2.97Å; P704-Y755 HydrophobicContact CB-CE2 3.96Å; P704-Y755 HydrophobicContact CG-CE2 4.42Å; P704-Y850 HydrophobicContact CB-CD1 4.08Å; P704-Y850 HydrophobicContact CB-CD2 3.78Å; P704-Y850 HydrophobicContact CB-CE1 4.03Å; P704-Y850 HydrophobicContact CB-CE2 3.72Å; P704-Y850 HydrophobicContact CB-CG 3.96Å; P704-Y850 HydrophobicContact CG-CD1 4.22Å; P704-Y850 HydrophobicContact CG-CD2 3.73Å; P704-Y850 HydrophobicContact CG-CE2 4.2Å; P704-Y850 HydrophobicContact CG-CG 3.73Å; P704-W871 HydrophobicContact CG-CZ3 4.3Å
705S97.9Very high97.9Very high2 Ų213.1 Ų13.11%0.0146%0.064CC..Hα-helixtrans-65.9-47.9173.8-47.10000111.6N703 R707 A708 Y709 L846N703-S705 PolarHBondContact O-N 3.06Å; N703-S705 VanDerWaalsContact O-N 3.14Å; N703-S705 WeakPolarHBondContact OD1-CB 3.37Å; N703-S705 PolarHBondContact OD1-N 3.48Å; N703-S705 PolarHBondContact OD1-OG 3.18Å; N703-S705 VanDerWaalsContact OD1-OG 3.14Å; S705-R707 VanDerWaalsContact C-N 3.33Å; S705-A708 PolarHBondContact O-N 3.04Å; S705-Y709 PolarHBondContact O-N 3.31Å; S705-L846 VanDerWaalsContact OG-CB 3.32Å; S705-L846 WeakPolarHBondContact OG-CB 3.43Å
706D97.5Very high97.8Very high44 Ų4417.7 Ų17.724%0.2358%0.08CC..Hα-helixtrans-69.3-34.2179.2-63.3-44.2000111.1N703 Y709 S710 M838 R843N703-D706 HydrophobicContact CB-CB 4.3Å; N703-D706 WeakPolarHBondContact CB-OD2 3.48Å; N703-D706 PolarHBondContact O-N 3.09Å; D706-Y709 PolarHBondContact O-N 3.27Å; D706-S710 WeakPolarHBondContact O-CB 3.13Å; D706-S710 PolarHBondContact O-N 3.05Å; D706-M838 WeakPolarHBondContact OD1-CE 3.42Å; D706-R843 IonicContact OD1-CZ 3.97Å; D706-R843 IonicContact OD1-NH1 3.46Å; D706-R843 PolarHBondContact OD1-NH1 3.17Å; D706-R843 IonicContact OD1-NH2 3.86Å; D706-R843 PolarHBondContact OD1-NH2 3.15Å; D706-R843 IonicContact OD2-NH1 3.82Å
707R97.9Very high97.7Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-60.2-48.1171.2-176.6-97.2163.1-152.7-7111.7Q611 K612 T613 I702 N703 S705 S710 W711 R748 C749 P752Q611-R707 PolarHBondContact O-NE 3.08Å; K612-R707 HydrophobicContact CB-CG 4.41Å; T613-R707 HydrophobicContact CG2-CG 4.25Å; I702-R707 HydrophobicContact CD1-CB 4Å; I702-R707 HydrophobicContact CG1-CB 3.84Å; N703-R707 PolarHBondContact O-N 3.11Å; S705-R707 VanDerWaalsContact C-N 3.33Å; R707-S710 PolarHBondContact O-N 3.38Å; R707-W711 PolarHBondContact O-N 3.3Å; R707-R748 PolarHBondContact NH1-O 3.42Å; R707-C749 PolarHBondContact NH1-O 2.7Å; R707-P752 VanDerWaalsContact CZ-CB 3.44Å
708A98.3Very high97.5Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-62-43.8178.200000111.5P704 S705 W711 Y712 F728 C749P704-A708 WeakPolarHBondContact O-CB 3.36Å; P704-A708 PolarHBondContact O-N 2.97Å; S705-A708 PolarHBondContact O-N 3.04Å; A708-W711 WeakPolarHBondContact O-CB 3.5Å; A708-W711 PolarHBondContact O-N 3Å; A708-Y712 PolarHBondContact O-N 3.12Å; A708-F728 HydrophobicContact CB-CZ 4.08Å; A708-C749 HydrophobicContact CB-CB 4.3Å; A708-C749 WeakPolarHBondContact CB-O 3.29Å
709Y98.3Very high97.4Very high15 Ų1530.3 Ų30.36%0.05915%0.149CC..Hα-helixtrans-66.6-41.9177.8-173.3-122.1000112.8S705 D706 W711 Y712 Q713 F728 Y835 P836 P837 M838S705-Y709 PolarHBondContact O-N 3.31Å; D706-Y709 PolarHBondContact O-N 3.27Å; Y709-W711 PolarHBondContact O-N 3.11Å; Y709-Y712 HydrophobicContact CD2-CD1 4.25Å; Y709-Y712 HydrophobicContact CE2-CD1 4.19Å; Y709-Y712 PolarHBondContact O-N 3.13Å; Y709-Y712 VanDerWaalsContact O-N 3.17Å; Y709-Q713 HydrophobicContact CD1-CG 4.4Å; Y709-Q713 HydrophobicContact CD2-CG 4.45Å; Y709-Q713 HydrophobicContact CE1-CG 4.11Å; Y709-Q713 HydrophobicContact CE2-CG 4.2Å; Y709-Q713 VanDerWaalsContact CZ-NE2 3.27Å; Y709-Q713 WeakPolarHBondContact O-CG 3.4Å; Y709-Q713 PolarHBondContact O-N 3.3Å; Y709-Q713 PolarHBondContact OH-NE2 3.25Å; Y709-F728 HydrophobicContact CD2-CB 4.17Å; Y709-F728 AromaticContact CD2-CD1 3.39Å; Y709-F728 HydrophobicContact CD2-CD1 3.39Å; Y709-F728 HydrophobicContact CD2-CD2 4.05Å; Y709-F728 AromaticContact CD2-CE1 3.62Å; Y709-F728 HydrophobicContact CD2-CE1 3.62Å; Y709-F728 HydrophobicContact CD2-CE2 4.26Å; Y709-F728 AromaticContact CD2-CG 3.6Å; Y709-F728 HydrophobicContact CD2-CG 3.6Å; Y709-F728 HydrophobicContact CD2-CZ 4.06Å; Y709-F728 HydrophobicContact CE2-CB 4.09Å; Y709-F728 AromaticContact CE2-CD1 3.96Å; Y709-F728 HydrophobicContact CE2-CD1 3.96Å; Y709-F728 HydrophobicContact CE2-CG 4.03Å; Y709-F728 HydrophobicContact CG-CD1 4.34Å; Y709-F728 HydrophobicContact CG-CE1 4.16Å; Y709-F728 HydrophobicContact CG-CZ 4.46Å; Y709-Y835 HydrophobicContact CD1-CD2 4.31Å; Y709-Y835 AromaticContact CD1-CE2 3.87Å; Y709-Y835 HydrophobicContact CD1-CE2 3.87Å; Y709-Y835 AromaticContact CE1-CD2 3.67Å; Y709-Y835 HydrophobicContact CE1-CD2 3.67Å; Y709-Y835 AromaticContact CE1-CE2 3.69Å; Y709-Y835 HydrophobicContact CE1-CE2 3.69Å; Y709-P836 WeakPolarHBondContact CE1-O 3.37Å; Y709-P836 PolarHBondContact OH-O 3.34Å; Y709-P837 PolarHBondContact OH-O 2.93Å; Y709-M838 HydrophobicContact CD1-CB 3.97Å; Y709-M838 HydrophobicContact CD1-CE 4.24Å; Y709-M838 HydrophobicContact CD1-CG 4.49Å; Y709-M838 HydrophobicContact CD2-CB 4.37Å; Y709-M838 HydrophobicContact CD2-CG 4.12Å; Y709-M838 HydrophobicContact CE1-CB 3.99Å; Y709-M838 HydrophobicContact CE2-CB 4.37Å; Y709-M838 HydrophobicContact CE2-CG 4.35Å; Y709-M838 HydrophobicContact CG-CB 4.15Å; Y709-M838 HydrophobicContact CG-CE 3.97Å; Y709-M838 HydrophobicContact CG-CG 4.16Å
710S97.4Very high97.3Very high17 Ų1731.7 Ų31.712%0.11916%0.157CC..Hα-helixtrans-61.7-31.6174.5-174.60000112.1K612 D706 R707 H714K612-S710 WeakPolarHBondContact CE-O 3.37Å; K612-S710 WeakPolarHBondContact CE-OG 3.49Å; D706-S710 WeakPolarHBondContact O-CB 3.13Å; D706-S710 PolarHBondContact O-N 3.05Å; R707-S710 PolarHBondContact O-N 3.38Å; S710-H714 VanDerWaalsContact O-CB 3.28Å; S710-H714 WeakPolarHBondContact O-CB 3.43Å; S710-H714 PolarHBondContact O-N 3.4Å
711W97.9Very high97.1Very high18 Ų1840 Ų407%0.06819%0.188CC..Hα-helixtrans-70.3-46.6171.6-178.8-103.4000112.1Q611 K612 R707 A708 Y709 Q713 H714 Q715 R748Q611-W711 HydrophobicContact CB-CE3 4.35Å; Q611-W711 HydrophobicContact CB-CZ3 4.38Å; Q611-W711 HydrophobicContact CG-CZ3 4.45Å; Q611-W711 VanDerWaalsContact NE2-CZ3 3.28Å; K612-W711 HydrophobicContact CD-CE3 3.96Å; K612-W711 HydrophobicContact CG-CB 4.05Å; K612-W711 HydrophobicContact CG-CE3 3.91Å; R707-W711 PolarHBondContact O-N 3.3Å; A708-W711 WeakPolarHBondContact O-CB 3.5Å; A708-W711 PolarHBondContact O-N 3Å; Y709-W711 PolarHBondContact O-N 3.11Å; W711-Q713 PolarHBondContact O-N 3.31Å; W711-H714 AromaticContact CZ3-ND1 3.9Å; W711-H714 WeakPolarHBondContact O-CA 3.43Å; W711-H714 VanDerWaalsContact O-CB 3.26Å; W711-H714 WeakPolarHBondContact O-CB 3Å; W711-H714 PolarHBondContact O-N 2.86Å; W711-H714 VanDerWaalsContact O-N 3.11Å; W711-Q715 HydrophobicContact CZ2-CG 4.23Å; W711-Q715 WeakPolarHBondContact O-CG 3.23Å; W711-Q715 PolarHBondContact O-N 2.85Å; W711-R748 HydrophobicContact CZ2-CB 4.45Å
712Y98.1Very high96.9Very high9 Ų940.2 Ų40.24%0.03519%0.189CC..Hα-helixtrans-56.6-48174.7168.7-101.4000112.1A708 Y709 H714 Q715 R716 A723 F726 F728 V731 L745A708-Y712 PolarHBondContact O-N 3.12Å; Y709-Y712 HydrophobicContact CD2-CD1 4.25Å; Y709-Y712 HydrophobicContact CE2-CD1 4.19Å; Y709-Y712 PolarHBondContact O-N 3.13Å; Y709-Y712 VanDerWaalsContact O-N 3.17Å; Y712-H714 VanDerWaalsContact C-N 3.26Å; Y712-H714 PolarHBondContact O-N 3.38Å; Y712-Q715 PolarHBondContact O-N 2.98Å; Y712-Q715 VanDerWaalsContact O-N 3.08Å; Y712-R716 VanDerWaalsContact CE1-CD 3.47Å; Y712-R716 HydrophobicContact CE1-CG 4.21Å; Y712-R716 HydrophobicContact CE2-CG 4.37Å; Y712-R716 PolarHBondContact O-N 3.3Å; Y712-A723 HydrophobicContact CD2-CB 4.26Å; Y712-A723 HydrophobicContact CE2-CB 4.15Å; Y712-A723 WeakPolarHBondContact CE2-O 3.45Å; Y712-A723 PolarHBondContact OH-O 3.35Å; Y712-F726 WeakPolarHBondContact CE2-O 3.5Å; Y712-F726 PolarHBondContact OH-O 2.98Å; Y712-F728 VanDerWaalsContact CB-CD2 3.46Å; Y712-F728 HydrophobicContact CD1-CB 3.81Å; Y712-F728 AromaticContact CD1-CD2 3.77Å; Y712-F728 HydrophobicContact CD1-CD2 3.77Å; Y712-F728 HydrophobicContact CD1-CG 4.07Å; Y712-F728 AromaticContact CD2-CD2 3.96Å; Y712-F728 HydrophobicContact CD2-CD2 3.96Å; Y712-F728 HydrophobicContact CE1-CB 3.71Å; Y712-F728 HydrophobicContact CE1-CD2 4.47Å; Y712-F728 HydrophobicContact CE1-CG 4.47Å; Y712-F728 HydrophobicContact CE2-CB 4.49Å; Y712-F728 HydrophobicContact CG-CB 4.24Å; Y712-F728 AromaticContact CG-CD2 3.46Å; Y712-F728 HydrophobicContact CG-CD2 3.46Å; Y712-F728 VanDerWaalsContact CG-CD2 3.46Å; Y712-F728 HydrophobicContact CG-CE2 4.21Å; Y712-F728 HydrophobicContact CG-CG 4.21Å; Y712-F728 PolarHBondContact OH-N 3.09Å; Y712-V731 HydrophobicContact CD2-CG2 4.2Å; Y712-V731 HydrophobicContact CE2-CG2 3.98Å; Y712-L745 HydrophobicContact CD2-CD2 4.31Å
713Q97.9Very high96.8Very high14 Ų1439 Ų397%0.06518%0.183CC..Hα-helixtrans-65.3-30.7177.2-66.3-68.716.600112.6Y709 W711 A717 Y835Y709-Q713 HydrophobicContact CD1-CG 4.4Å; Y709-Q713 HydrophobicContact CD2-CG 4.45Å; Y709-Q713 HydrophobicContact CE1-CG 4.11Å; Y709-Q713 HydrophobicContact CE2-CG 4.2Å; Y709-Q713 VanDerWaalsContact CZ-NE2 3.27Å; Y709-Q713 WeakPolarHBondContact O-CG 3.4Å; Y709-Q713 PolarHBondContact O-N 3.3Å; Y709-Q713 PolarHBondContact OH-NE2 3.25Å; W711-Q713 PolarHBondContact O-N 3.31Å; Q713-A717 WeakPolarHBondContact O-CB 3.38Å; Q713-A717 PolarHBondContact O-N 3.47Å; Q713-A717 VanDerWaalsContact O-N 3.08Å; Q713-Y835 HydrophobicContact CB-CD1 3.76Å; Q713-Y835 HydrophobicContact CB-CE1 3.97Å; Q713-Y835 HydrophobicContact CB-CG 4.06Å; Q713-Y835 HydrophobicContact CG-CD1 3.92Å; Q713-Y835 HydrophobicContact CG-CD2 3.81Å; Q713-Y835 HydrophobicContact CG-CE1 4.27Å; Q713-Y835 HydrophobicContact CG-CE2 4.16Å; Q713-Y835 HydrophobicContact CG-CG 3.68Å
714H96.4Very high96.7Very high42 Ų4243 Ų4319%0.19420%0.204CC..Hα-helixtrans-63.9-44.1171.1178.8-91.2000111.8K612 S710 W711 Y712 A717 H718K612-H714 HydrophobicContact CD-CB 4.3Å; K612-H714 PolarHBondContact NZ-CD2 3.5Å; K612-H714 VanDerWaalsContact NZ-CD2 3.25Å; S710-H714 VanDerWaalsContact O-CB 3.28Å; S710-H714 WeakPolarHBondContact O-CB 3.43Å; S710-H714 PolarHBondContact O-N 3.4Å; W711-H714 AromaticContact CZ3-ND1 3.9Å; W711-H714 WeakPolarHBondContact O-CA 3.43Å; W711-H714 VanDerWaalsContact O-CB 3.26Å; W711-H714 WeakPolarHBondContact O-CB 3Å; W711-H714 PolarHBondContact O-N 2.86Å; W711-H714 VanDerWaalsContact O-N 3.11Å; Y712-H714 VanDerWaalsContact C-N 3.26Å; Y712-H714 PolarHBondContact O-N 3.38Å; H714-A717 PolarHBondContact O-N 3.42Å; H714-H718 AromaticContact CD2-CE1 3.6Å; H714-H718 AromaticContact CD2-ND1 3.97Å; H714-H718 AromaticContact CE1-CE1 3.36Å; H714-H718 PolarHBondContact CE1-CE1 3.29Å; H714-H718 AromaticContact CE1-ND1 3.57Å; H714-H718 AromaticContact ND1-CE1 3.98Å; H714-H718 AromaticContact ND1-ND1 3.8Å; H714-H718 AromaticContact NE2-CE1 3.12Å; H714-H718 PolarHBondContact NE2-CE1 3.23Å; H714-H718 AromaticContact NE2-ND1 3.72Å; H714-H718 AromaticContact NE2-NE2 3.96Å; H714-H718 PolarHBondContact O-N 3Å; H714-H718 PolarHBondContact O-ND1 3.45Å
715Q97.4Very high96.6Very high19 Ų1948.5 Ų48.59%0.08923%0.23CC..Hα-helixtrans-65.1-42177.5-67.6-51.4104.500111.8W711 Y712 A717 H718 E719 D720 A723 L745W711-Q715 HydrophobicContact CZ2-CG 4.23Å; W711-Q715 WeakPolarHBondContact O-CG 3.23Å; W711-Q715 PolarHBondContact O-N 2.85Å; Y712-Q715 PolarHBondContact O-N 2.98Å; Y712-Q715 VanDerWaalsContact O-N 3.08Å; Q715-A717 VanDerWaalsContact C-N 3.32Å; Q715-A717 PolarHBondContact O-N 3.05Å; Q715-H718 CarbonylContact O-C 3.58Å; Q715-H718 PolarHBondContact O-N 3.31Å; Q715-E719 PolarHBondContact O-N 3Å; Q715-D720 HydrophobicContact CB-CB 3.76Å; Q715-D720 PolarHBondContact NE2-OD2 2.81Å; Q715-D720 VanDerWaalsContact O-CB 3.3Å; Q715-D720 WeakPolarHBondContact O-CB 3.38Å; Q715-D720 PolarHBondContact O-N 3.4Å; Q715-A723 HydrophobicContact CB-CB 3.73Å; Q715-L745 HydrophobicContact CB-CD1 4.11Å; Q715-L745 HydrophobicContact CG-CD1 3.76Å
716R96.4Very high96.6Very high98 Ų9850.3 Ų50.337%0.3724%0.237SC..Hα-helixtrans-57.1-43.6172.6-70.4-169.571-175.25.9113Y712 H718 E719 A723 L724Y712-R716 VanDerWaalsContact CE1-CD 3.47Å; Y712-R716 HydrophobicContact CE1-CG 4.21Å; Y712-R716 HydrophobicContact CE2-CG 4.37Å; Y712-R716 PolarHBondContact O-N 3.3Å; R716-H718 PolarHBondContact O-N 2.95Å; R716-E719 PolarHBondContact O-N 2.78Å; R716-A723 WeakPolarHBondContact CD-O 3.37Å; R716-A723 HydrophobicContact CG-CB 3.67Å; R716-A723 VanDerWaalsContact CG-O 3.25Å; R716-A723 WeakPolarHBondContact CG-O 3.27Å; R716-L724 HydrophobicContact CB-CD2 4.36Å
717A94.9Very high96.5Very high54 Ų5451.6 Ų51.645%0.44625%0.247SC..THydrogen-bonded Turntrans-69.7-12178.700000114.1Q713 H714 Q715Q713-A717 WeakPolarHBondContact O-CB 3.38Å; Q713-A717 PolarHBondContact O-N 3.47Å; Q713-A717 VanDerWaalsContact O-N 3.08Å; H714-A717 PolarHBondContact O-N 3.42Å; Q715-A717 VanDerWaalsContact C-N 3.32Å; Q715-A717 PolarHBondContact O-N 3.05Å
718H94.7Very high96.5Very high110 Ų11051.8 Ų51.851%0.50925%0.248SC..THydrogen-bonded Turntrans-108.120.1171.4-66.879.8000111.4H714 Q715 R716 D720H714-H718 AromaticContact CD2-CE1 3.6Å; H714-H718 AromaticContact CD2-ND1 3.97Å; H714-H718 AromaticContact CE1-CE1 3.36Å; H714-H718 PolarHBondContact CE1-CE1 3.29Å; H714-H718 AromaticContact CE1-ND1 3.57Å; H714-H718 AromaticContact ND1-CE1 3.98Å; H714-H718 AromaticContact ND1-ND1 3.8Å; H714-H718 AromaticContact NE2-CE1 3.12Å; H714-H718 PolarHBondContact NE2-CE1 3.23Å; H714-H718 AromaticContact NE2-ND1 3.72Å; H714-H718 AromaticContact NE2-NE2 3.96Å; H714-H718 PolarHBondContact O-N 3Å; H714-H718 PolarHBondContact O-ND1 3.45Å; Q715-H718 CarbonylContact O-C 3.58Å; Q715-H718 PolarHBondContact O-N 3.31Å; R716-H718 PolarHBondContact O-N 2.95Å; H718-D720 PolarHBondContact O-N 3.02Å; H718-D720 VanDerWaalsContact O-N 3.13Å
719E96Very high96.5Very high162 Ų16255 Ų5576%0.75726%0.26SS*.THydrogen-bonded Turntrans57.930.8173.6-56177.7174.500113.7Q715 R716 R721 L724Q715-E719 PolarHBondContact O-N 3Å; R716-E719 PolarHBondContact O-N 2.78Å; E719-R721 PolarHBondContact O-N 3.09Å; E719-R721 VanDerWaalsContact O-N 3.16Å; E719-L724 HydrophobicContact CB-CD1 4.24Å
720D96.6Very high96.4Very high31 Ų3158.5 Ų58.517%0.16628%0.277CS..  trans-60.5118.7172.6-178.9-63.4000109.3Q715 H718 A722 A723 L724 R748Q715-D720 HydrophobicContact CB-CB 3.76Å; Q715-D720 PolarHBondContact NE2-OD2 2.81Å; Q715-D720 VanDerWaalsContact O-CB 3.3Å; Q715-D720 WeakPolarHBondContact O-CB 3.38Å; Q715-D720 PolarHBondContact O-N 3.4Å; H718-D720 PolarHBondContact O-N 3.02Å; H718-D720 VanDerWaalsContact O-N 3.13Å; D720-A722 VanDerWaalsContact C-N 3.32Å; D720-A722 PolarHBondContact O-N 3.22Å; D720-A722 PolarHBondContact OD1-N 2.7Å; D720-A723 HydrophobicContact CB-CB 3.93Å; D720-A723 PolarHBondContact O-N 3.43Å; D720-A723 PolarHBondContact OD1-N 3.24Å; D720-A723 VanDerWaalsContact OD1-N 3.09Å; D720-L724 PolarHBondContact O-N 3.22Å; D720-R748 IonicContact OD2-NH2 3.19Å; D720-R748 PolarHBondContact OD2-NH2 3.49Å
721R94.3Very high96.4Very high175 Ų17557.7 Ų57.766%0.6627%0.271SS*.Hα-helixtrans-53.3-46.6-173.9-178.8-175.9170.4177.8-0.6112.6E719 L724 Q725E719-R721 PolarHBondContact O-N 3.09Å; E719-R721 VanDerWaalsContact O-N 3.16Å; R721-L724 PolarHBondContact O-N 2.7Å; R721-Q725 VanDerWaalsContact O-CB 3.25Å; R721-Q725 WeakPolarHBondContact O-CB 3.36Å; R721-Q725 PolarHBondContact O-N 2.8Å
722A93.6Very high96.4Very high3 Ų356.8 Ų56.83%0.02527%0.268CS..Hα-helixtrans-67.6-39-179.600000111.1D720 L724 Q725 F726 E741 L745D720-A722 VanDerWaalsContact C-N 3.32Å; D720-A722 PolarHBondContact O-N 3.22Å; D720-A722 PolarHBondContact OD1-N 2.7Å; A722-L724 VanDerWaalsContact C-N 3.32Å; A722-L724 PolarHBondContact O-N 3.26Å; A722-Q725 PolarHBondContact O-N 3.09Å; A722-F726 HydrophobicContact CB-CD2 4.43Å; A722-F726 WeakPolarHBondContact O-CD2 3.26Å; A722-F726 PolarHBondContact O-N 3.43Å; A722-E741 HydrophobicContact CB-CB 4.24Å; A722-L745 HydrophobicContact CB-CD2 4.02Å
723A95.6Very high96.3Very high0 Ų058 Ų580%028%0.278CS..Hα-helixtrans-68.6-30.3178.400000113.1Y712 Q715 R716 D720 L745Y712-A723 HydrophobicContact CD2-CB 4.26Å; Y712-A723 HydrophobicContact CE2-CB 4.15Å; Y712-A723 WeakPolarHBondContact CE2-O 3.45Å; Y712-A723 PolarHBondContact OH-O 3.35Å; Q715-A723 HydrophobicContact CB-CB 3.73Å; R716-A723 WeakPolarHBondContact CD-O 3.37Å; R716-A723 HydrophobicContact CG-CB 3.67Å; R716-A723 VanDerWaalsContact CG-O 3.25Å; R716-A723 WeakPolarHBondContact CG-O 3.27Å; D720-A723 HydrophobicContact CB-CB 3.93Å; D720-A723 PolarHBondContact O-N 3.43Å; D720-A723 PolarHBondContact OD1-N 3.24Å; D720-A723 VanDerWaalsContact OD1-N 3.09Å; A723-L745 HydrophobicContact CB-CD2 3.72Å
724L96.1Very high96.1Very high91 Ų9158 Ų5848%0.47628%0.28SS..Hα-helixtrans-78.2-35.1174.5-69.3179.2000112.7R716 E719 D720 R721 A722R716-L724 HydrophobicContact CB-CD2 4.36Å; E719-L724 HydrophobicContact CB-CD1 4.24Å; D720-L724 PolarHBondContact O-N 3.22Å; R721-L724 PolarHBondContact O-N 2.7Å; A722-L724 VanDerWaalsContact C-N 3.32Å; A722-L724 PolarHBondContact O-N 3.26Å
725Q96.4Very high95.8Very high115 Ų11566.1 Ų66.154%0.53731%0.309SS..Hα-helixtrans-77.3-40-177.2-178.5175.9-3.300113R721 A722R721-Q725 VanDerWaalsContact O-CB 3.25Å; R721-Q725 WeakPolarHBondContact O-CB 3.36Å; R721-Q725 PolarHBondContact O-N 2.8Å; A722-Q725 PolarHBondContact O-N 3.09Å
726F96.2Very high95Very high39 Ų3974.9 Ų74.917%0.17135%0.347CS..SBendtrans-109.5141.8-173.8-60.2-78.3000111.3Y712 A722 E730 V731 L742Y712-F726 WeakPolarHBondContact CE2-O 3.5Å; Y712-F726 PolarHBondContact OH-O 2.98Å; A722-F726 HydrophobicContact CB-CD2 4.43Å; A722-F726 WeakPolarHBondContact O-CD2 3.26Å; A722-F726 PolarHBondContact O-N 3.43Å; F726-E730 HydrophobicContact CB-CB 4.28Å; F726-V731 HydrophobicContact CB-CG2 3.97Å; F726-L742 HydrophobicContact CB-CD1 3.92Å; F726-L742 HydrophobicContact CD1-CD1 4.4Å; F726-L742 HydrophobicContact CD1-CD2 4.14Å; F726-L742 HydrophobicContact CD2-CB 4.47Å; F726-L742 HydrophobicContact CD2-CD1 3.7Å; F726-L742 HydrophobicContact CD2-CD2 4.42Å; F726-L742 HydrophobicContact CD2-CG 4.42Å; F726-L742 HydrophobicContact CE1-CD2 4.14Å; F726-L742 HydrophobicContact CE2-CB 4.32Å; F726-L742 HydrophobicContact CE2-CD1 4.33Å; F726-L742 HydrophobicContact CE2-CD2 4.43Å; F726-L742 HydrophobicContact CG-CD1 3.74Å; F726-L742 HydrophobicContact CG-CD2 4.28Å; F726-L742 HydrophobicContact CZ-CD2 4.29Å
727T96.3Very high94.5Very high71 Ų7174.2 Ų74.244%0.43637%0.37SS..  trans-65.2160.1170.265.50000110.9Y729 E730 V731T727-Y729 VanDerWaalsContact C-N 3.26Å; T727-Y729 PolarHBondContact O-N 3.23Å; T727-E730 WeakPolarHBondContact CB-OE2 3.37Å; T727-E730 WeakPolarHBondContact CG2-OE2 3.19Å; T727-E730 PolarHBondContact N-OE2 3.02Å; T727-E730 PolarHBondContact O-N 3.14Å; T727-E730 VanDerWaalsContact OG1-CD 3.26Å; T727-E730 VanDerWaalsContact OG1-CG 3.23Å; T727-E730 WeakPolarHBondContact OG1-CG 3.48Å; T727-E730 PolarHBondContact OG1-N 3.19Å; T727-E730 PolarHBondContact OG1-OE2 2.99Å; T727-V731 WeakPolarHBondContact O-CG2 3.45Å; T727-V731 PolarHBondContact O-N 2.77Å; T727-V731 VanDerWaalsContact O-N 3.11Å
728F97.9Very high94.3Very high4 Ų473 Ų732%0.01836%0.36CS..Hα-helixtrans-60.7-38179.4-176.2-125.3000112.4A708 Y709 Y712 V731 I732 M838 A842 L846A708-F728 HydrophobicContact CB-CZ 4.08Å; Y709-F728 HydrophobicContact CD2-CB 4.17Å; Y709-F728 AromaticContact CD2-CD1 3.39Å; Y709-F728 HydrophobicContact CD2-CD1 3.39Å; Y709-F728 HydrophobicContact CD2-CD2 4.05Å; Y709-F728 AromaticContact CD2-CE1 3.62Å; Y709-F728 HydrophobicContact CD2-CE1 3.62Å; Y709-F728 HydrophobicContact CD2-CE2 4.26Å; Y709-F728 AromaticContact CD2-CG 3.6Å; Y709-F728 HydrophobicContact CD2-CG 3.6Å; Y709-F728 HydrophobicContact CD2-CZ 4.06Å; Y709-F728 HydrophobicContact CE2-CB 4.09Å; Y709-F728 AromaticContact CE2-CD1 3.96Å; Y709-F728 HydrophobicContact CE2-CD1 3.96Å; Y709-F728 HydrophobicContact CE2-CG 4.03Å; Y709-F728 HydrophobicContact CG-CD1 4.34Å; Y709-F728 HydrophobicContact CG-CE1 4.16Å; Y709-F728 HydrophobicContact CG-CZ 4.46Å; Y712-F728 VanDerWaalsContact CB-CD2 3.46Å; Y712-F728 HydrophobicContact CD1-CB 3.81Å; Y712-F728 AromaticContact CD1-CD2 3.77Å; Y712-F728 HydrophobicContact CD1-CD2 3.77Å; Y712-F728 HydrophobicContact CD1-CG 4.07Å; Y712-F728 AromaticContact CD2-CD2 3.96Å; Y712-F728 HydrophobicContact CD2-CD2 3.96Å; Y712-F728 HydrophobicContact CE1-CB 3.71Å; Y712-F728 HydrophobicContact CE1-CD2 4.47Å; Y712-F728 HydrophobicContact CE1-CG 4.47Å; Y712-F728 HydrophobicContact CE2-CB 4.49Å; Y712-F728 HydrophobicContact CG-CB 4.24Å; Y712-F728 AromaticContact CG-CD2 3.46Å; Y712-F728 HydrophobicContact CG-CD2 3.46Å; Y712-F728 VanDerWaalsContact CG-CD2 3.46Å; Y712-F728 HydrophobicContact CG-CE2 4.21Å; Y712-F728 HydrophobicContact CG-CG 4.21Å; Y712-F728 PolarHBondContact OH-N 3.09Å; F728-V731 WeakPolarHBondContact O-CB 3.45Å; F728-V731 PolarHBondContact O-N 2.93Å; F728-I732 HydrophobicContact CD1-CD1 4.36Å; F728-I732 HydrophobicContact CD2-CG2 4.04Å; F728-I732 HydrophobicContact CE1-CD1 4.18Å; F728-I732 HydrophobicContact CE1-CG2 4.2Å; F728-I732 HydrophobicContact CE2-CG2 3.55Å; F728-I732 HydrophobicContact CZ-CG2 3.64Å; F728-I732 WeakPolarHBondContact O-CG1 3.46Å; F728-I732 PolarHBondContact O-N 2.99Å; F728-M838 HydrophobicContact CD1-CG 4.07Å; F728-M838 HydrophobicContact CD1-SD 4.43Å; F728-M838 HydrophobicContact CE1-CG 4.07Å; F728-M838 HydrophobicContact CE1-SD 3.85Å; F728-A842 HydrophobicContact CD1-CB 3.95Å; F728-A842 HydrophobicContact CE1-CB 4.37Å; F728-L846 HydrophobicContact CE1-CD1 3.61Å; F728-L846 HydrophobicContact CZ-CD1 3.76Å
729Y97.6Very high94.2Very high68 Ų6871.4 Ų71.427%0.26736%0.359SS..Hα-helixtrans-64.4-43.8178.7-173.9-115.2000112.4T727 V731 I732 S733 E841 A842 Y845T727-Y729 VanDerWaalsContact C-N 3.26Å; T727-Y729 PolarHBondContact O-N 3.23Å; Y729-V731 VanDerWaalsContact C-N 3.28Å; Y729-V731 PolarHBondContact O-N 2.64Å; Y729-I732 HydrophobicContact CD2-CD1 4.18Å; Y729-I732 HydrophobicContact CD2-CG1 4.33Å; Y729-I732 WeakPolarHBondContact O-CG1 3.26Å; Y729-I732 PolarHBondContact O-N 3.33Å; Y729-S733 VanDerWaalsContact O-CB 3.3Å; Y729-S733 WeakPolarHBondContact O-CB 3.44Å; Y729-S733 PolarHBondContact O-N 2.98Å; Y729-S733 PolarHBondContact O-OG 2.95Å; Y729-E841 HydrophobicContact CD2-CG 4.32Å; Y729-E841 HydrophobicContact CE1-CG 4.35Å; Y729-E841 VanDerWaalsContact CE1-OE1 3.3Å; Y729-E841 WeakPolarHBondContact CE1-OE1 3.49Å; Y729-E841 HydrophobicContact CE2-CG 3.75Å; Y729-E841 VanDerWaalsContact CZ-CD 3.42Å; Y729-E841 PolarHBondContact OH-OE1 3.42Å; Y729-A842 HydrophobicContact CD2-CB 4.07Å; Y729-Y845 HydrophobicContact CE2-CD2 4.41Å; Y729-Y845 HydrophobicContact CE2-CG 4.32Å
730E96.2Very high94.1Very high88 Ų8867.8 Ų67.841%0.41136%0.357SS..Hα-helixtrans-60.9-38.3175.3-71.1166.413600111.8F726 T727 A734F726-E730 HydrophobicContact CB-CB 4.28Å; T727-E730 WeakPolarHBondContact CB-OE2 3.37Å; T727-E730 WeakPolarHBondContact CG2-OE2 3.19Å; T727-E730 PolarHBondContact N-OE2 3.02Å; T727-E730 PolarHBondContact O-N 3.14Å; T727-E730 VanDerWaalsContact OG1-CD 3.26Å; T727-E730 VanDerWaalsContact OG1-CG 3.23Å; T727-E730 WeakPolarHBondContact OG1-CG 3.48Å; T727-E730 PolarHBondContact OG1-N 3.19Å; T727-E730 PolarHBondContact OG1-OE2 2.99Å; E730-A734 PolarHBondContact O-N 3.18Å
731V97.4Very high93.9Very high0 Ų071.1 Ų71.10%037%0.372CS..Hα-helixtrans-62-53.7175.6173.20000111.1Y712 F726 T727 F728 Y729 S733 A734 L742 L745 Q746Y712-V731 HydrophobicContact CD2-CG2 4.2Å; Y712-V731 HydrophobicContact CE2-CG2 3.98Å; F726-V731 HydrophobicContact CB-CG2 3.97Å; T727-V731 WeakPolarHBondContact O-CG2 3.45Å; T727-V731 PolarHBondContact O-N 2.77Å; T727-V731 VanDerWaalsContact O-N 3.11Å; F728-V731 WeakPolarHBondContact O-CB 3.45Å; F728-V731 PolarHBondContact O-N 2.93Å; Y729-V731 VanDerWaalsContact C-N 3.28Å; Y729-V731 PolarHBondContact O-N 2.64Å; V731-S733 PolarHBondContact O-N 3.4Å; V731-A734 WeakPolarHBondContact O-CB 3.31Å; V731-A734 PolarHBondContact O-N 3.44Å; V731-L742 HydrophobicContact CB-CD1 4.08Å; V731-L742 HydrophobicContact CG1-CD1 4.49Å; V731-L742 HydrophobicContact CG2-CD1 3.57Å; V731-L745 HydrophobicContact CG1-CB 4.35Å; V731-L745 HydrophobicContact CG1-CD2 4.15Å; V731-L745 HydrophobicContact CG1-CG 3.86Å; V731-L745 HydrophobicContact CG2-CD2 3.84Å; V731-L745 HydrophobicContact CG2-CG 4.46Å; V731-Q746 HydrophobicContact CG1-CB 4.26Å; V731-Q746 VanDerWaalsContact O-CB 3.23Å; V731-Q746 WeakPolarHBondContact O-CB 3.43Å; V731-Q746 WeakPolarHBondContact O-CG 3.4Å
732I97.6Very high93.9Very high0 Ų063.3 Ų63.30%034%0.343CS..Hα-helixtrans-73.1-27.1-173.563.7-178.4000113.2F728 Y729 Q746 L750 A842 Y845 L846F728-I732 HydrophobicContact CD1-CD1 4.36Å; F728-I732 HydrophobicContact CD2-CG2 4.04Å; F728-I732 HydrophobicContact CE1-CD1 4.18Å; F728-I732 HydrophobicContact CE1-CG2 4.2Å; F728-I732 HydrophobicContact CE2-CG2 3.55Å; F728-I732 HydrophobicContact CZ-CG2 3.64Å; F728-I732 WeakPolarHBondContact O-CG1 3.46Å; F728-I732 PolarHBondContact O-N 2.99Å; Y729-I732 HydrophobicContact CD2-CD1 4.18Å; Y729-I732 HydrophobicContact CD2-CG1 4.33Å; Y729-I732 WeakPolarHBondContact O-CG1 3.26Å; Y729-I732 PolarHBondContact O-N 3.33Å; I732-Q746 PolarHBondContact O-NE2 3.31Å; I732-L750 HydrophobicContact CB-CD2 4.27Å; I732-L750 HydrophobicContact CG2-CD2 3.96Å; I732-A842 HydrophobicContact CD1-CB 3.78Å; I732-Y845 HydrophobicContact CB-CD1 4.34Å; I732-Y845 HydrophobicContact CB-CE1 4.14Å; I732-Y845 HydrophobicContact CD1-CD1 3.75Å; I732-Y845 HydrophobicContact CD1-CE1 4.41Å; I732-Y845 HydrophobicContact CD1-CG 4.39Å; I732-Y845 HydrophobicContact CG1-CD1 3.91Å; I732-Y845 HydrophobicContact CG1-CE1 4.1Å; I732-Y845 WeakPolarHBondContact O-CE1 3.5Å; I732-Y845 PolarHBondContact O-OH 3.43Å; I732-Y845 VanDerWaalsContact O-OH 3.09Å; I732-L846 HydrophobicContact CB-CD2 4.25Å; I732-L846 HydrophobicContact CD1-CD1 4.03Å; I732-L846 HydrophobicContact CD1-CD2 4.03Å; I732-L846 HydrophobicContact CD1-CG 3.8Å; I732-L846 HydrophobicContact CG2-CD2 4.18Å
733S96Very high94Very high35 Ų3567.5 Ų67.525%0.24536%0.358CS..THydrogen-bonded Turntrans-944-180670000114.1Y729 V731 R735Y729-S733 VanDerWaalsContact O-CB 3.3Å; Y729-S733 WeakPolarHBondContact O-CB 3.44Å; Y729-S733 PolarHBondContact O-N 2.98Å; Y729-S733 PolarHBondContact O-OG 2.95Å; V731-S733 PolarHBondContact O-N 3.4Å; S733-R735 PolarHBondContact O-N 3.28Å
734A94.5Very high93.9Very high12 Ų1270.3 Ų70.310%0.09938%0.378CS..  trans-54.2123.7-177.800000112.7E730 V731 A738 L742 R743 Q746E730-A734 PolarHBondContact O-N 3.18Å; V731-A734 WeakPolarHBondContact O-CB 3.31Å; V731-A734 PolarHBondContact O-N 3.44Å; A734-A738 HydrophobicContact CB-CB 4.06Å; A734-L742 HydrophobicContact CB-CD2 4.06Å; A734-L742 HydrophobicContact CB-CG 4.01Å; A734-R743 PolarHBondContact O-NH1 3.36Å; A734-Q746 PolarHBondContact O-NE2 3.15Å; A734-Q746 PolarHBondContact O-OE1 2.88Å
735R91.2Very high94Very high214 Ų21466 Ų6681%0.80836%0.355SS*.  trans-83167.5-175.7-62-176.4-178.6-1741.1112.7S733 G737 A738S733-R735 PolarHBondContact O-N 3.28Å; R735-G737 PolarHBondContact O-N 3.43Å; R735-A738 WeakPolarHBondContact O-CB 3.38Å; R735-A738 PolarHBondContact O-N 3.09Å; R735-A738 VanDerWaalsContact O-N 3.11Å
736K80.6Confident94Very high203 Ų20361.2 Ų61.288%0.88333%0.333SS*.THydrogen-bonded Turntrans-61.8115.2168.5-66.4-175.7179.5179.70108.2
737G84.3Confident94Very high83 Ų8361.4 Ų61.486%0.85634%0.339SS*.THydrogen-bonded Turntrans114.6-9.5-173.700000115R735R735-G737 PolarHBondContact O-N 3.43Å
738A91.3Very high94Very high28 Ų2862.1 Ų62.123%0.23133%0.334CS..SBendtrans-65.1157.3172.900000112.4A734 R735 L742 R743A734-A738 HydrophobicContact CB-CB 4.06Å; R735-A738 WeakPolarHBondContact O-CB 3.38Å; R735-A738 PolarHBondContact O-N 3.09Å; R735-A738 VanDerWaalsContact O-N 3.11Å; A738-L742 HydrophobicContact CB-CD2 4.27Å; A738-R743 HydrophobicContact CB-CG 4.1Å
739P93.1Very high94Very high77 Ų7761.9 Ų61.950%0.533%0.333SS..  trans-51.4144.2178.8-27.534.9000113.3E741 L742 R743P739-E741 VanDerWaalsContact C-N 3.29Å; P739-E741 PolarHBondContact O-N 3.34Å; P739-L742 HydrophobicContact CB-CB 4.4Å; P739-L742 WeakPolarHBondContact O-CB 3.48Å; P739-L742 PolarHBondContact O-N 3.22Å; P739-L742 VanDerWaalsContact O-N 3.12Å; P739-R743 PolarHBondContact O-N 3.31Å
740A92.9Very high94Very high86 Ų8659 Ų5971%0.71132%0.322SS*.Hα-helixtrans-58.4-39.1-17600000112.9R743 S744A740-R743 PolarHBondContact O-N 3.08Å; A740-S744 WeakPolarHBondContact O-CB 3.42Å; A740-S744 PolarHBondContact O-N 3.07Å
741E92.9Very high94.1Very high102 Ų10258.8 Ų58.848%0.47732%0.323SS..Hα-helixtrans-63.4-42.1177.6-62.3177.6-178.500112A722 P739 S744 L745A722-E741 HydrophobicContact CB-CB 4.24Å; P739-E741 VanDerWaalsContact C-N 3.29Å; P739-E741 PolarHBondContact O-N 3.34Å; E741-S744 PolarHBondContact O-N 3.36Å; E741-L745 PolarHBondContact O-N 3.38Å
742L95Very high94.1Very high10 Ų1059.4 Ų59.45%0.05233%0.327CS..Hα-helixtrans-65.5-44.8176.4-176.858000111.3F726 V731 A734 A738 P739 S744 L745 Q746F726-L742 HydrophobicContact CB-CD1 3.92Å; F726-L742 HydrophobicContact CD1-CD1 4.4Å; F726-L742 HydrophobicContact CD1-CD2 4.14Å; F726-L742 HydrophobicContact CD2-CB 4.47Å; F726-L742 HydrophobicContact CD2-CD1 3.7Å; F726-L742 HydrophobicContact CD2-CD2 4.42Å; F726-L742 HydrophobicContact CD2-CG 4.42Å; F726-L742 HydrophobicContact CE1-CD2 4.14Å; F726-L742 HydrophobicContact CE2-CB 4.32Å; F726-L742 HydrophobicContact CE2-CD1 4.33Å; F726-L742 HydrophobicContact CE2-CD2 4.43Å; F726-L742 HydrophobicContact CG-CD1 3.74Å; F726-L742 HydrophobicContact CG-CD2 4.28Å; F726-L742 HydrophobicContact CZ-CD2 4.29Å; V731-L742 HydrophobicContact CB-CD1 4.08Å; V731-L742 HydrophobicContact CG1-CD1 4.49Å; V731-L742 HydrophobicContact CG2-CD1 3.57Å; A734-L742 HydrophobicContact CB-CD2 4.06Å; A734-L742 HydrophobicContact CB-CG 4.01Å; A738-L742 HydrophobicContact CB-CD2 4.27Å; P739-L742 HydrophobicContact CB-CB 4.4Å; P739-L742 WeakPolarHBondContact O-CB 3.48Å; P739-L742 PolarHBondContact O-N 3.22Å; P739-L742 VanDerWaalsContact O-N 3.12Å; L742-S744 VanDerWaalsContact C-N 3.33Å; L742-S744 PolarHBondContact O-N 2.77Å; L742-L745 PolarHBondContact O-N 3.26Å; L742-Q746 WeakPolarHBondContact O-CB 3.42Å; L742-Q746 PolarHBondContact O-N 3.06Å
743R94.4Very high94.1Very high91 Ų9159.4 Ų59.434%0.34333%0.328SS..Hα-helixtrans-63.7-37.3176.2-73-74.8-64.6175.20.9112.5A734 A738 P739 A740 S747A734-R743 PolarHBondContact O-NH1 3.36Å; A738-R743 HydrophobicContact CB-CG 4.1Å; P739-R743 PolarHBondContact O-N 3.31Å; A740-R743 PolarHBondContact O-N 3.08Å; R743-S747 WeakPolarHBondContact O-CB 3.41Å; R743-S747 PolarHBondContact O-N 3.22Å; R743-S747 PolarHBondContact O-OG 3.36Å
744S94.9Very high94.2Very high60 Ų6058.7 Ų58.742%0.4232%0.321SS..Hα-helixtrans-64.5-46.8174.11770000111A740 E741 L742 S747 R748A740-S744 WeakPolarHBondContact O-CB 3.42Å; A740-S744 PolarHBondContact O-N 3.07Å; E741-S744 PolarHBondContact O-N 3.36Å; L742-S744 VanDerWaalsContact C-N 3.33Å; L742-S744 PolarHBondContact O-N 2.77Å; S744-S747 PolarHBondContact O-N 3.27Å; S744-R748 WeakPolarHBondContact O-CG 3.3Å; S744-R748 PolarHBondContact O-N 3.01Å
745L96.7Very high94.4Very high0 Ų058.3 Ų58.30%032%0.317CS..Hα-helixtrans-62.5-45.6176-177.159.4000111.9Y712 Q715 A722 A723 V731 E741 L742 S747 R748 C749Y712-L745 HydrophobicContact CD2-CD2 4.31Å; Q715-L745 HydrophobicContact CB-CD1 4.11Å; Q715-L745 HydrophobicContact CG-CD1 3.76Å; A722-L745 HydrophobicContact CB-CD2 4.02Å; A723-L745 HydrophobicContact CB-CD2 3.72Å; V731-L745 HydrophobicContact CG1-CB 4.35Å; V731-L745 HydrophobicContact CG1-CD2 4.15Å; V731-L745 HydrophobicContact CG1-CG 3.86Å; V731-L745 HydrophobicContact CG2-CD2 3.84Å; V731-L745 HydrophobicContact CG2-CG 4.46Å; E741-L745 PolarHBondContact O-N 3.38Å; L742-L745 PolarHBondContact O-N 3.26Å; L745-S747 VanDerWaalsContact C-N 3.32Å; L745-S747 PolarHBondContact O-N 3.03Å; L745-R748 PolarHBondContact O-N 3.43Å; L745-C749 PolarHBondContact O-N 3.35Å; L745-C749 PolarHBondContact O-SG 3.44Å
746Q97.5Very high94.7Very high14 Ų1448.5 Ų48.57%0.06528%0.282CS..Hα-helixtrans-52.3-50.8173.2-178.8-174.242.700111.1V731 I732 A734 L742 R748 C749 L750V731-Q746 HydrophobicContact CG1-CB 4.26Å; V731-Q746 VanDerWaalsContact O-CB 3.23Å; V731-Q746 WeakPolarHBondContact O-CB 3.43Å; V731-Q746 WeakPolarHBondContact O-CG 3.4Å; I732-Q746 PolarHBondContact O-NE2 3.31Å; A734-Q746 PolarHBondContact O-NE2 3.15Å; A734-Q746 PolarHBondContact O-OE1 2.88Å; L742-Q746 WeakPolarHBondContact O-CB 3.42Å; L742-Q746 PolarHBondContact O-N 3.06Å; Q746-R748 VanDerWaalsContact C-N 3.35Å; Q746-R748 PolarHBondContact O-N 2.57Å; Q746-C749 WeakPolarHBondContact O-CB 3.39Å; Q746-C749 PolarHBondContact O-N 3.24Å; Q746-L750 HydrophobicContact CG-CD1 3.71Å; Q746-L750 HydrophobicContact CG-CG 4.26Å; Q746-L750 WeakPolarHBondContact O-CB 3.22Å; Q746-L750 WeakPolarHBondContact O-CG 3.43Å; Q746-L750 PolarHBondContact O-N 3.39Å
747S96Very high95.5Very high44 Ų4442.1 Ų42.131%0.30826%0.26SS..Hα-helixtrans-62.2-42-177.6-58.40000111.8R743 S744 L745 C749 L750 L751R743-S747 WeakPolarHBondContact O-CB 3.41Å; R743-S747 PolarHBondContact O-N 3.22Å; R743-S747 PolarHBondContact O-OG 3.36Å; S744-S747 PolarHBondContact O-N 3.27Å; L745-S747 VanDerWaalsContact C-N 3.32Å; L745-S747 PolarHBondContact O-N 3.03Å; S747-C749 VanDerWaalsContact C-N 3.35Å; S747-C749 PolarHBondContact O-N 3.44Å; S747-L750 PolarHBondContact O-N 3.21Å; S747-L751 VanDerWaalsContact O-CB 3.31Å; S747-L751 WeakPolarHBondContact O-CB 3.26Å; S747-L751 WeakPolarHBondContact O-CG 3.25Å; S747-L751 PolarHBondContact O-N 3.09Å
748R96.3Very high96.2Very high85 Ų8538.8 Ų38.832%0.32122%0.222SC..Hα-helixtrans-67.8-31.8176.7-66.1-174.9-67.6148.80.1113R707 W711 D720 S744 L745 Q746 P752R707-R748 PolarHBondContact NH1-O 3.42Å; W711-R748 HydrophobicContact CZ2-CB 4.45Å; D720-R748 IonicContact OD2-NH2 3.19Å; D720-R748 PolarHBondContact OD2-NH2 3.49Å; S744-R748 WeakPolarHBondContact O-CG 3.3Å; S744-R748 PolarHBondContact O-N 3.01Å; L745-R748 PolarHBondContact O-N 3.43Å; Q746-R748 VanDerWaalsContact C-N 3.35Å; Q746-R748 PolarHBondContact O-N 2.57Å; R748-P752 WeakPolarHBondContact O-CD 3.27Å
749C97.8Very high96.5Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-68.6-50.6171.6-70.40000111.6R707 A708 L745 Q746 S747R707-C749 PolarHBondContact NH1-O 2.7Å; A708-C749 HydrophobicContact CB-CB 4.3Å; A708-C749 WeakPolarHBondContact CB-O 3.29Å; L745-C749 PolarHBondContact O-N 3.35Å; L745-C749 PolarHBondContact O-SG 3.44Å; Q746-C749 WeakPolarHBondContact O-CB 3.39Å; Q746-C749 PolarHBondContact O-N 3.24Å; S747-C749 VanDerWaalsContact C-N 3.35Å; S747-C749 PolarHBondContact O-N 3.44Å
750L98.2Very high96.7Very high6 Ų637 Ų373%0.03120%0.202CC..Hα-helixtrans-87.5-50.3-165.8-62.4-175.9000113.8I732 Q746 S747 G753 L846 Y849 Y850I732-L750 HydrophobicContact CB-CD2 4.27Å; I732-L750 HydrophobicContact CG2-CD2 3.96Å; Q746-L750 HydrophobicContact CG-CD1 3.71Å; Q746-L750 HydrophobicContact CG-CG 4.26Å; Q746-L750 WeakPolarHBondContact O-CB 3.22Å; Q746-L750 WeakPolarHBondContact O-CG 3.43Å; Q746-L750 PolarHBondContact O-N 3.39Å; S747-L750 PolarHBondContact O-N 3.21Å; L750-G753 PolarHBondContact O-N 3.01Å; L750-L846 HydrophobicContact CD2-CD2 3.42Å; L750-L846 VanDerWaalsContact CD2-CD2 3.42Å; L750-Y849 HydrophobicContact CB-CE1 4.07Å; L750-Y849 HydrophobicContact CD1-CE1 4.24Å; L750-Y849 HydrophobicContact CD1-CE2 4.31Å; L750-Y849 HydrophobicContact CD2-CD1 4.47Å; L750-Y849 HydrophobicContact CD2-CE1 4.32Å; L750-Y849 HydrophobicContact CG-CE1 4.44Å; L750-Y850 VanDerWaalsContact CA-OH 3.26Å; L750-Y850 WeakPolarHBondContact CA-OH 3.25Å; L750-Y850 PolarHBondContact O-OH 3.06Å
751L97.5Very high96.9Very high84 Ų8434.8 Ų34.844%0.4418%0.176SC..G310 helixtrans-62.1-42.9-167.2-62.1179000113.7S747 G753 L754 H758S747-L751 VanDerWaalsContact O-CB 3.31Å; S747-L751 WeakPolarHBondContact O-CB 3.26Å; S747-L751 WeakPolarHBondContact O-CG 3.25Å; S747-L751 PolarHBondContact O-N 3.09Å; L751-G753 PolarHBondContact O-N 3.42Å; L751-L754 HydrophobicContact CD2-CD1 3.88Å; L751-L754 VanDerWaalsContact O-CB 3.3Å; L751-L754 WeakPolarHBondContact O-CB 3.44Å; L751-L754 WeakPolarHBondContact O-CG 3.49Å; L751-L754 PolarHBondContact O-N 2.9Å; L751-H758 PolarHBondContact O-NE2 3.21Å
752P97.8Very high97.2Very high13 Ų1330 Ų308%0.08415%0.153CC..G310 helixtrans-69.5-4.8179-14.227.9000114.2P680 R707 R748 L754 Y755P680-P752 HydrophobicContact CB-CB 4.07Å; P680-P752 HydrophobicContact CB-CG 4.41Å; P680-P752 HydrophobicContact CG-CB 4.26Å; R707-P752 VanDerWaalsContact CZ-CB 3.44Å; R748-P752 WeakPolarHBondContact O-CD 3.27Å; P752-L754 VanDerWaalsContact C-N 3.33Å; P752-Y755 VanDerWaalsContact O-CE1 3.28Å; P752-Y755 WeakPolarHBondContact O-CE1 3.23Å
753G97.9Very high97.3Very high1 Ų131.2 Ų31.21%0.0116%0.16CC..G310 helixtrans-81.5-6.3169.300000114.1L750 L751 Y755L750-G753 PolarHBondContact O-N 3.01Å; L751-G753 PolarHBondContact O-N 3.42Å; G753-Y755 PolarHBondContact O-N 3.36Å
754L98.1Very high97.4Very high20 Ų2033.4 Ų33.411%0.10518%0.175CC..  trans-81.263.1179.5-55.3-178.4000110.9L751 P752 A756 T757 H758 Y849 Y850 H853L751-L754 HydrophobicContact CD2-CD1 3.88Å; L751-L754 VanDerWaalsContact O-CB 3.3Å; L751-L754 WeakPolarHBondContact O-CB 3.44Å; L751-L754 WeakPolarHBondContact O-CG 3.49Å; L751-L754 PolarHBondContact O-N 2.9Å; P752-L754 VanDerWaalsContact C-N 3.33Å; L754-A756 PolarHBondContact O-N 3.36Å; L754-T757 WeakPolarHBondContact O-CB 3.19Å; L754-T757 PolarHBondContact O-N 3.1Å; L754-H758 PolarHBondContact O-CD2 3.23Å; L754-H758 PolarHBondContact O-N 3Å; L754-Y849 HydrophobicContact CD2-CE1 4.3Å; L754-Y850 HydrophobicContact CD2-CD1 4.07Å; L754-Y850 HydrophobicContact CD2-CE1 3.82Å; L754-H853 HydrophobicContact CD2-CB 4.31Å; L754-H853 VanDerWaalsContact CD2-CD2 3.4Å; L754-H853 WeakPolarHBondContact CD2-CD2 3.3Å; L754-H853 WeakPolarHBondContact CD2-NE2 3.41Å
755Y98.6Very high97.6Very high3 Ų335.6 Ų35.61%0.01218%0.175CC..Hα-helixtrans-58.6-42.6-164.7-58-35.4000114.6P610 F679 L701 I702 P704 P752 G753 T757 H758 L759 L857 W871P610-Y755 HydrophobicContact CG-CD1 4.26Å; P610-Y755 HydrophobicContact CG-CE1 3.7Å; F679-Y755 AromaticContact CE1-CD1 3.89Å; F679-Y755 HydrophobicContact CE1-CD1 3.89Å; F679-Y755 HydrophobicContact CZ-CD1 4.21Å; L701-Y755 HydrophobicContact CB-CD2 4.33Å; L701-Y755 HydrophobicContact CB-CE2 4.21Å; L701-Y755 HydrophobicContact CD1-CD2 4.17Å; L701-Y755 HydrophobicContact CD1-CG 4.31Å; L701-Y755 HydrophobicContact CD2-CD1 3.8Å; L701-Y755 HydrophobicContact CD2-CD2 4.03Å; L701-Y755 HydrophobicContact CD2-CE1 4.09Å; L701-Y755 HydrophobicContact CD2-CE2 4.31Å; L701-Y755 HydrophobicContact CD2-CG 3.77Å; L701-Y755 HydrophobicContact CG-CD2 4.41Å; I702-Y755 VanDerWaalsContact O-CE2 3.27Å; I702-Y755 WeakPolarHBondContact O-CE2 3.44Å; I702-Y755 PolarHBondContact O-OH 2.93Å; I702-Y755 VanDerWaalsContact O-OH 3.11Å; P704-Y755 HydrophobicContact CB-CE2 3.96Å; P704-Y755 HydrophobicContact CG-CE2 4.42Å; P752-Y755 VanDerWaalsContact O-CE1 3.28Å; P752-Y755 WeakPolarHBondContact O-CE1 3.23Å; G753-Y755 PolarHBondContact O-N 3.36Å; Y755-T757 VanDerWaalsContact C-N 3.33Å; Y755-T757 PolarHBondContact O-N 3.23Å; Y755-H758 PolarHBondContact O-N 3.4Å; Y755-L759 WeakPolarHBondContact O-CB 3.39Å; Y755-L759 WeakPolarHBondContact O-CG 3.37Å; Y755-L759 PolarHBondContact O-N 3.42Å; Y755-L857 HydrophobicContact CD2-CD2 3.9Å; Y755-L857 HydrophobicContact CG-CD2 4.47Å; Y755-W871 AromaticContact CD2-CH2 3.95Å; Y755-W871 HydrophobicContact CD2-CH2 3.95Å; Y755-W871 HydrophobicContact CD2-CZ2 4.12Å; Y755-W871 AromaticContact CE2-CH2 3.88Å; Y755-W871 HydrophobicContact CE2-CH2 3.88Å; Y755-W871 AromaticContact CE2-CZ2 3.91Å; Y755-W871 HydrophobicContact CE2-CZ2 3.91Å
756A98Very high97.6Very high9 Ų935.7 Ų35.77%0.07418%0.175CC..Hα-helixtrans-58.7-44.8179.400000111.9L754 H758 L759 E760 E856 L857 L860L754-A756 PolarHBondContact O-N 3.36Å; A756-H758 VanDerWaalsContact C-N 3.33Å; A756-H758 PolarHBondContact O-N 3.25Å; A756-L759 PolarHBondContact O-N 2.9Å; A756-E760 WeakPolarHBondContact O-CB 3.38Å; A756-E760 WeakPolarHBondContact O-CG 3.42Å; A756-E760 PolarHBondContact O-N 3.19Å; A756-E856 HydrophobicContact CB-CB 4.1Å; A756-L857 HydrophobicContact CB-CB 4.17Å; A756-L860 HydrophobicContact CB-CD2 4.46Å
757T96.9Very high97.6Very high69 Ų6938 Ų3842%0.42319%0.192SC..Hα-helixtrans-60.1-43178.5-56.10000112L754 Y755 R761L754-T757 WeakPolarHBondContact O-CB 3.19Å; L754-T757 PolarHBondContact O-N 3.1Å; Y755-T757 VanDerWaalsContact C-N 3.33Å; Y755-T757 PolarHBondContact O-N 3.23Å; T757-R761 PolarHBondContact O-N 3.07Å
758H98.4Very high97.6Very high12 Ų1238.8 Ų38.86%0.05620%0.197CC..Hα-helixtrans-71.9-43.3179.6-61.4-46.8000111.8F679 L751 L754 Y755 A756 R761 W762F679-H758 HydrophobicContact CD1-CB 3.8Å; F679-H758 AromaticContact CD1-CD2 4Å; F679-H758 HydrophobicContact CE1-CB 3.35Å; F679-H758 AromaticContact CE1-CD2 3.6Å; F679-H758 AromaticContact CE1-CG 3.77Å; F679-H758 HydrophobicContact CE2-CB 4.22Å; F679-H758 HydrophobicContact CG-CB 4.42Å; F679-H758 HydrophobicContact CZ-CB 3.6Å; L751-H758 PolarHBondContact O-NE2 3.21Å; L754-H758 PolarHBondContact O-CD2 3.23Å; L754-H758 PolarHBondContact O-N 3Å; Y755-H758 PolarHBondContact O-N 3.4Å; A756-H758 VanDerWaalsContact C-N 3.33Å; A756-H758 PolarHBondContact O-N 3.25Å; H758-R761 PolarHBondContact CE1-NH2 3.16Å; H758-R761 VanDerWaalsContact CE1-NH2 3.3Å; H758-R761 PolarHBondContact ND1-NH2 3.03Å; H758-R761 WeakPolarHBondContact O-CB 2.78Å; H758-R761 PolarHBondContact O-N 2.92Å; H758-W762 VanDerWaalsContact O-CD1 3.3Å; H758-W762 PolarHBondContact O-N 2.61Å
759L98.3Very high97.6Very high2 Ų239.9 Ų39.91%0.0121%0.209CC..Hα-helixtrans-61.5-44.2177.8-79.8168000112.5F679 T699 L701 Y755 A756 R761 W762 L763 V771 I773 L857 L860F679-L759 HydrophobicContact CE2-CD2 4.03Å; F679-L759 HydrophobicContact CE2-CG 4.04Å; F679-L759 HydrophobicContact CZ-CG 4.14Å; T699-L759 HydrophobicContact CG2-CD2 4.01Å; L701-L759 HydrophobicContact CD1-CD1 4.38Å; Y755-L759 WeakPolarHBondContact O-CB 3.39Å; Y755-L759 WeakPolarHBondContact O-CG 3.37Å; Y755-L759 PolarHBondContact O-N 3.42Å; A756-L759 PolarHBondContact O-N 2.9Å; L759-R761 PolarHBondContact O-N 3.39Å; L759-W762 PolarHBondContact O-N 3.29Å; L759-L763 WeakPolarHBondContact O-CD1 3.03Å; L759-L763 VanDerWaalsContact O-CG 3.29Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.15Å; L759-V771 HydrophobicContact CD2-CG1 4.49Å; L759-I773 HydrophobicContact CD1-CD1 3.82Å; L759-I773 HydrophobicContact CD2-CD1 3.87Å; L759-I773 HydrophobicContact CD2-CG1 4.17Å; L759-L857 HydrophobicContact CD1-CD1 3.68Å; L759-L860 HydrophobicContact CB-CD2 3.64Å; L759-L860 HydrophobicContact CD1-CD2 4.1Å
760E97.4Very high97.6Very high65 Ų6541.4 Ų41.430%0.30422%0.217SC..Hα-helixtrans-55.1-40.4175.1-75.8-77.4-168.400111.3A756 W762 L763 M764 L860 R863A756-E760 WeakPolarHBondContact O-CB 3.38Å; A756-E760 WeakPolarHBondContact O-CG 3.42Å; A756-E760 PolarHBondContact O-N 3.19Å; E760-W762 PolarHBondContact O-N 3.42Å; E760-L763 PolarHBondContact O-N 3.02Å; E760-M764 WeakPolarHBondContact O-CG 3.35Å; E760-M764 PolarHBondContact O-N 3.34Å; E760-L860 HydrophobicContact CG-CD2 4.27Å; E760-R863 IonicContact OE1-CZ 2.75Å; E760-R863 VanDerWaalsContact OE1-CZ 3.31Å; E760-R863 IonicContact OE1-NH1 2.93Å; E760-R863 PolarHBondContact OE1-NH1 3.18Å; E760-R863 IonicContact OE1-NH2 3.36Å; E760-R863 PolarHBondContact OE1-NH2 3.18Å; E760-R863 IonicContact OE2-NH1 2.74Å
761R97.3Very high97.6Very high40 Ų4041.5 Ų41.515%0.15122%0.218CC..Hα-helixtrans-63.8-38.1175.5-72-169.7-83.7121-33.1113.3P680 S681 P685 T757 H758 L759 Y765P680-R761 PolarHBondContact O-NH1 3.31Å; P680-R761 PolarHBondContact O-NH2 3.21Å; S681-R761 VanDerWaalsContact C-NH1 3.31Å; S681-R761 PolarHBondContact O-NH1 2.98Å; P685-R761 HydrophobicContact CG-CB 4.46Å; T757-R761 PolarHBondContact O-N 3.07Å; H758-R761 PolarHBondContact CE1-NH2 3.16Å; H758-R761 VanDerWaalsContact CE1-NH2 3.3Å; H758-R761 PolarHBondContact ND1-NH2 3.03Å; H758-R761 WeakPolarHBondContact O-CB 2.78Å; H758-R761 PolarHBondContact O-N 2.92Å; L759-R761 PolarHBondContact O-N 3.39Å; R761-Y765 WeakPolarHBondContact O-CD2 3.34Å
762W98.4Very high97.6Very high2 Ų238.4 Ų38.41%0.00820%0.201CC..Hα-helixtrans-67.8-40.3174.4-79.490000111.7V608 F679 T684 P685 A688 I697 H758 L759 E760 M764 Y765 Y766V608-W762 HydrophobicContact CB-CH2 4.1Å; V608-W762 HydrophobicContact CB-CZ2 3.8Å; V608-W762 HydrophobicContact CG1-CH2 3.42Å; V608-W762 VanDerWaalsContact CG1-CH2 3.42Å; V608-W762 HydrophobicContact CG1-CZ2 3.67Å; V608-W762 HydrophobicContact CG1-CZ3 4.01Å; V608-W762 HydrophobicContact CG2-CZ2 4.2Å; F679-W762 PolarHBondContact O-NE1 3.35Å; T684-W762 HydrophobicContact CG2-CH2 3.78Å; T684-W762 HydrophobicContact CG2-CZ2 3.84Å; P685-W762 HydrophobicContact CB-CD2 4.2Å; P685-W762 HydrophobicContact CB-CE3 4.28Å; P685-W762 HydrophobicContact CG-CD2 3.83Å; P685-W762 HydrophobicContact CG-CE3 4.35Å; P685-W762 HydrophobicContact CG-CG 4.01Å; P685-W762 HydrophobicContact CG-CZ2 4.21Å; A688-W762 HydrophobicContact CB-CZ3 4.44Å; I697-W762 HydrophobicContact CD1-CE3 4.16Å; I697-W762 HydrophobicContact CD1-CZ3 3.63Å; I697-W762 HydrophobicContact CG1-CE3 4.01Å; I697-W762 HydrophobicContact CG1-CZ3 4.01Å; I697-W762 HydrophobicContact CG2-CD2 4.31Å; I697-W762 HydrophobicContact CG2-CE3 3.83Å; I697-W762 HydrophobicContact CG2-CZ3 4.04Å; H758-W762 VanDerWaalsContact O-CD1 3.3Å; H758-W762 PolarHBondContact O-N 2.61Å; L759-W762 PolarHBondContact O-N 3.29Å; E760-W762 PolarHBondContact O-N 3.42Å; W762-M764 PolarHBondContact O-N 3.34Å; W762-Y765 PolarHBondContact O-N 3.41Å; W762-Y765 VanDerWaalsContact O-N 3.09Å; W762-Y766 AromaticContact CE3-CD2 3.88Å; W762-Y766 HydrophobicContact CE3-CD2 3.88Å; W762-Y766 HydrophobicContact CE3-CE2 4.08Å; W762-Y766 HydrophobicContact CZ3-CD2 4.18Å; W762-Y766 AromaticContact CZ3-CE2 3.9Å; W762-Y766 HydrophobicContact CZ3-CE2 3.9Å; W762-Y766 PolarHBondContact O-N 3.43Å
763L97.4Very high97.6Very high36 Ų3638.9 Ų38.919%0.18820%0.203CC..Hα-helixtrans-70.7-16.2-179.3-67.4163000113.7L759 E760 Y765 Y766 V771 L860 L864L759-L763 WeakPolarHBondContact O-CD1 3.03Å; L759-L763 VanDerWaalsContact O-CG 3.29Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.15Å; E760-L763 PolarHBondContact O-N 3.02Å; L763-Y765 PolarHBondContact O-N 3.02Å; L763-Y766 WeakPolarHBondContact CA-O 3.36Å; L763-V771 HydrophobicContact CD2-CG2 4.16Å; L763-L860 HydrophobicContact CD1-CD1 3.87Å; L763-L860 HydrophobicContact CD1-CD2 4.43Å; L763-L864 HydrophobicContact CD1-CD1 3.83Å; L763-L864 HydrophobicContact CD1-CD2 4.06Å; L763-L864 HydrophobicContact CD1-CG 4.5Å; L763-L864 HydrophobicContact CD2-CD2 4.12Å
764M97Very high97.5Very high137 Ų13739 Ų3968%0.67520%0.203SC*.THydrogen-bonded Turntrans-65.3-26168.5-72.2176.2-174.900113E760 W762E760-M764 WeakPolarHBondContact O-CG 3.35Å; E760-M764 PolarHBondContact O-N 3.34Å; W762-M764 PolarHBondContact O-N 3.34Å
765Y98.1Very high97.4Very high105 Ų10538.8 Ų38.841%0.41220%0.202SC..THydrogen-bonded Turntrans-119.2-26.9-172.9-64.4-77.3000113.7P685 R686 A689 R761 W762 L763P685-Y765 HydrophobicContact CB-CD2 3.54Å; P685-Y765 HydrophobicContact CB-CE2 4.15Å; P685-Y765 HydrophobicContact CB-CG 4.35Å; R686-Y765 HydrophobicContact CB-CD1 4.42Å; R686-Y765 HydrophobicContact CB-CE1 3.85Å; R686-Y765 HydrophobicContact CB-CE2 3.93Å; R686-Y765 HydrophobicContact CG-CE1 3.92Å; A689-Y765 HydrophobicContact CB-CD1 4.42Å; A689-Y765 HydrophobicContact CB-CG 4.39Å; R761-Y765 WeakPolarHBondContact O-CD2 3.34Å; W762-Y765 PolarHBondContact O-N 3.41Å; W762-Y765 VanDerWaalsContact O-N 3.09Å; L763-Y765 PolarHBondContact O-N 3.02Å
766Y97.7Very high97.3Very high2 Ų239 Ų391%0.00820%0.204CC..SBendtrans-115.1130.4177.1-74.9-86.1000110.3A688 A689 L692 A695 I697 W762 L763 Q770A688-Y766 HydrophobicContact CB-CE2 4.33Å; A688-Y766 PolarHBondContact O-OH 3.26Å; A689-Y766 WeakPolarHBondContact CA-OH 3.47Å; A689-Y766 HydrophobicContact CB-CD2 4.45Å; A689-Y766 HydrophobicContact CB-CE2 3.84Å; A689-Y766 PolarHBondContact N-OH 2.99Å; L692-Y766 PolarHBondContact O-OH 2.83Å; A695-Y766 VanDerWaalsContact O-CE1 3.32Å; A695-Y766 WeakPolarHBondContact O-CE1 3.39Å; I697-Y766 HydrophobicContact CD1-CD1 4.36Å; I697-Y766 HydrophobicContact CD1-CD2 4.33Å; I697-Y766 HydrophobicContact CD1-CE1 4.04Å; I697-Y766 HydrophobicContact CD1-CE2 3.99Å; I697-Y766 HydrophobicContact CD1-CG 4.49Å; I697-Y766 HydrophobicContact CG1-CD1 3.91Å; I697-Y766 HydrophobicContact CG1-CD2 3.98Å; I697-Y766 HydrophobicContact CG1-CE1 4.11Å; I697-Y766 HydrophobicContact CG1-CE2 4.16Å; I697-Y766 HydrophobicContact CG1-CG 3.84Å; W762-Y766 AromaticContact CE3-CD2 3.88Å; W762-Y766 HydrophobicContact CE3-CD2 3.88Å; W762-Y766 HydrophobicContact CE3-CE2 4.08Å; W762-Y766 HydrophobicContact CZ3-CD2 4.18Å; W762-Y766 AromaticContact CZ3-CE2 3.9Å; W762-Y766 HydrophobicContact CZ3-CE2 3.9Å; W762-Y766 PolarHBondContact O-N 3.43Å; L763-Y766 WeakPolarHBondContact CA-O 3.36Å; Y766-Q770 HydrophobicContact CD1-CB 4.21Å
767P96.6Very high97Very high62 Ų6241 Ų4140%0.40321%0.212SC..  trans-62.8153.3173.328.4-34.8000110.5N769 Q770P767-N769 WeakPolarHBondContact CB-OD1 3.48Å; P767-N769 VanDerWaalsContact CG-OD1 3.27Å; P767-N769 WeakPolarHBondContact CG-OD1 3.24Å; P767-N769 PolarHBondContact O-N 3.31Å; P767-N769 VanDerWaalsContact O-N 3.13Å; P767-Q770 VanDerWaalsContact CD-OE1 3.23Å; P767-Q770 HydrophobicContact CG-CB 4.18Å; P767-Q770 HydrophobicContact CG-CG 3.94Å; P767-Q770 WeakPolarHBondContact O-CB 3.43Å; P767-Q770 PolarHBondContact O-N 2.9Å
768S95.5Very high96.9Very high61 Ų6141 Ų4143%0.42721%0.207SC..G310 helixtrans-57-32.8-175.257.40000113.7Q770 V771S768-Q770 PolarHBondContact O-N 3.17Å; S768-V771 PolarHBondContact O-N 3.16Å; S768-V771 VanDerWaalsContact O-N 3.07Å
769N96Very high96.8Very high108 Ų10840.7 Ų40.758%0.57821%0.206SC*.G310 helixtrans-71.3-9176.469.8-13.7000114.4K696 P767K696-N769 PolarHBondContact NZ-O 2.98Å; P767-N769 WeakPolarHBondContact CB-OD1 3.48Å; P767-N769 VanDerWaalsContact CG-OD1 3.27Å; P767-N769 WeakPolarHBondContact CG-OD1 3.24Å; P767-N769 PolarHBondContact O-N 3.31Å; P767-N769 VanDerWaalsContact O-N 3.13Å
770Q97.9Very high96.6Very high32 Ų3247 Ų4715%0.1523%0.23CC..G310 helixtrans-97.3-1.4170.3-75.8-179.6-112.600112.4P693 K694 A695 K696 I697 Y766 P767 S768P693-Q770 PolarHBondContact O-NE2 3.17Å; K694-Q770 VanDerWaalsContact C-NE2 3.33Å; A695-Q770 PolarHBondContact O-NE2 3.32Å; K696-Q770 CarbonylContact C-O 3.45Å; K696-Q770 HydrophobicContact CD-CB 4.37Å; K696-Q770 HydrophobicContact CD-CG 4.2Å; I697-Q770 PolarHBondContact N-O 3.46Å; Y766-Q770 HydrophobicContact CD1-CB 4.21Å; P767-Q770 VanDerWaalsContact CD-OE1 3.23Å; P767-Q770 HydrophobicContact CG-CB 4.18Å; P767-Q770 HydrophobicContact CG-CG 3.94Å; P767-Q770 WeakPolarHBondContact O-CB 3.43Å; P767-Q770 PolarHBondContact O-N 2.9Å; S768-Q770 PolarHBondContact O-N 3.17Å
771V98.1Very high96.5Very high9 Ų949 Ų496%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-117.8119.5-177.9-174.50000110.7I697 L759 L763 S768 I773I697-V771 HydrophobicContact CB-CG2 4.25Å; I697-V771 CarbonylContact O-C 3.45Å; I697-V771 WeakPolarHBondContact O-CA 3.11Å; L759-V771 HydrophobicContact CD2-CG1 4.49Å; L763-V771 HydrophobicContact CD2-CG2 4.16Å; S768-V771 PolarHBondContact O-N 3.16Å; S768-V771 VanDerWaalsContact O-N 3.07Å; V771-I773 HydrophobicContact CG1-CG1 4.44Å
772M97.6Very high96.4Very high18 Ų1850.6 Ų50.69%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-107130.4173.2-175.8-178.4-174.100110.4I697 I698 T699 I774 E789 V790 F793I697-M772 PolarHBondContact O-N 3.18Å; I698-M772 HydrophobicContact CG1-CB 4.4Å; T699-M772 PolarHBondContact N-O 3.39Å; M772-I774 HydrophobicContact CE-CD1 4.49Å; M772-I774 HydrophobicContact CE-CG1 4.03Å; M772-I774 HydrophobicContact CG-CG1 4.29Å; M772-I774 HydrophobicContact SD-CD1 4.5Å; M772-I774 HydrophobicContact SD-CG1 4.31Å; M772-E789 HydrophobicContact CE-CB 3.71Å; M772-V790 HydrophobicContact CE-CG2 3.81Å; M772-V790 HydrophobicContact SD-CG2 3.87Å; M772-F793 HydrophobicContact CB-CD1 3.76Å; M772-F793 HydrophobicContact CB-CD2 4.08Å; M772-F793 HydrophobicContact CB-CE1 3.55Å; M772-F793 HydrophobicContact CB-CE2 3.91Å; M772-F793 HydrophobicContact CB-CG 4Å; M772-F793 HydrophobicContact CB-CZ 3.62Å; M772-F793 HydrophobicContact CG-CD1 4.34Å; M772-F793 HydrophobicContact CG-CG 4.35Å; M772-F793 HydrophobicContact SD-CB 3.8Å; M772-F793 HydrophobicContact SD-CD1 3.75Å; M772-F793 HydrophobicContact SD-CE1 4.46Å; M772-F793 HydrophobicContact SD-CG 3.83Å
773I97.6Very high96.3Very high23 Ų2350.5 Ų50.512%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-112.1111.2179.1-55.7174.1000108.3T699 L701 L759 V771 L861 L864T699-I773 HydrophobicContact CG2-CB 4.32Å; T699-I773 HydrophobicContact CG2-CG1 3.88Å; T699-I773 HydrophobicContact CG2-CG2 4.37Å; L701-I773 HydrophobicContact CD1-CG2 3.59Å; L701-I773 HydrophobicContact CG-CG2 3.89Å; L759-I773 HydrophobicContact CD1-CD1 3.82Å; L759-I773 HydrophobicContact CD2-CD1 3.87Å; L759-I773 HydrophobicContact CD2-CG1 4.17Å; V771-I773 HydrophobicContact CG1-CG1 4.44Å; I773-L861 HydrophobicContact CD1-CD2 3.41Å; I773-L861 VanDerWaalsContact CD1-CD2 3.41Å; I773-L861 HydrophobicContact CG2-CD2 4.48Å; I773-L864 HydrophobicContact CD1-CD1 4.45Å
774I97.2Very high96.3Very high4 Ų449.1 Ų49.12%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-93.5134.6-178.6-65.2173.9000110L618 I698 T699 L700 L701 M772 G776 L779 V786 V790L618-I774 HydrophobicContact CD1-CD1 4.37Å; L618-I774 HydrophobicContact CD2-CD1 3.92Å; I698-I774 HydrophobicContact CG2-CD1 3.47Å; I698-I774 VanDerWaalsContact CG2-CD1 3.47Å; I698-I774 HydrophobicContact CG2-CG1 4.21Å; T699-I774 PolarHBondContact O-N 3.08Å; L700-I774 CarbonylContact C-O 3.54Å; L700-I774 WeakPolarHBondContact CA-O 3.4Å; L700-I774 HydrophobicContact CB-CB 4.4Å; L700-I774 HydrophobicContact CD2-CB 4.43Å; L700-I774 HydrophobicContact CD2-CG2 4.11Å; L700-I774 HydrophobicContact CG-CB 4.06Å; L700-I774 HydrophobicContact CG-CD1 4.39Å; L700-I774 HydrophobicContact CG-CG2 4.28Å; L701-I774 PolarHBondContact N-O 3.15Å; M772-I774 HydrophobicContact CE-CD1 4.49Å; M772-I774 HydrophobicContact CE-CG1 4.03Å; M772-I774 HydrophobicContact CG-CG1 4.29Å; M772-I774 HydrophobicContact SD-CD1 4.5Å; M772-I774 HydrophobicContact SD-CG1 4.31Å; I774-G776 PolarHBondContact O-N 3.01Å; I774-L779 HydrophobicContact CG2-CB 4.32Å; I774-V786 HydrophobicContact CD1-CG1 4.07Å; I774-V786 HydrophobicContact CG1-CG1 4.3Å; I774-V786 HydrophobicContact CG2-CG1 3.62Å; I774-V790 HydrophobicContact CD1-CG2 3.72Å
775D96.1Very high96.3Very high16 Ų1644.1 Ų44.19%0.08623%0.228CC..EExtended strand (participates in β ladder)trans-73.4111164.6-174.7-8.7000109.8H777 Q778 L779 P869 S870D775-H777 PolarHBondContact O-N 2.7Å; D775-H777 WeakPolarHBondContact OD1-CB 3.35Å; D775-H777 PolarHBondContact OD1-N 3.26Å; D775-Q778 HydrophobicContact CB-CB 3.98Å; D775-Q778 WeakPolarHBondContact O-CB 3.46Å; D775-Q778 PolarHBondContact O-N 3.07Å; D775-Q778 VanDerWaalsContact O-N 3.09Å; D775-L779 PolarHBondContact O-N 2.96Å; D775-P869 HydrophobicContact CB-CB 4.14Å; D775-P869 WeakPolarHBondContact OD2-CA 3.43Å; D775-S870 WeakPolarHBondContact OD2-CB 3.26Å; D775-S870 PolarHBondContact OD2-N 2.87Å; D775-S870 PolarHBondContact OD2-OG 2.84Å
776G95.4Very high96.3Very high6 Ų639.1 Ų39.16%0.06221%0.209CC..Hα-helixtrans-67.3-20.8-18000000113.7L701 I774 R780L701-G776 PolarHBondContact O-N 2.72Å; I774-G776 PolarHBondContact O-N 3.01Å; G776-R780 WeakPolarHBondContact O-CB 3.41Å; G776-R780 PolarHBondContact O-N 2.76Å; G776-R780 VanDerWaalsContact O-N 3.14Å
777H93.3Very high96.3Very high52 Ų5239 Ų3924%0.24121%0.208CC..Hα-helixtrans-70.6-39.9169.6-81.7-102.4000111.2D775 R780 N781 W871D775-H777 PolarHBondContact O-N 2.7Å; D775-H777 WeakPolarHBondContact OD1-CB 3.35Å; D775-H777 PolarHBondContact OD1-N 3.26Å; H777-R780 WeakPolarHBondContact O-CB 3.47Å; H777-R780 PolarHBondContact O-N 2.98Å; H777-N781 WeakPolarHBondContact O-CB 3.5Å; H777-N781 VanDerWaalsContact O-CG 3.27Å; H777-N781 PolarHBondContact O-N 3.41Å; H777-N781 PolarHBondContact O-ND2 3.19Å; H777-W871 AromaticContact CD2-CD1 3.79Å
778Q94.5Very high96.3Very high68 Ų6838.4 Ų38.432%0.31820%0.202SC..Hα-helixtrans-64.8-45.1175.1-166.1-176.3-3.700110.6D775 R780 N781 D782 V786D775-Q778 HydrophobicContact CB-CB 3.98Å; D775-Q778 WeakPolarHBondContact O-CB 3.46Å; D775-Q778 PolarHBondContact O-N 3.07Å; D775-Q778 VanDerWaalsContact O-N 3.09Å; Q778-R780 PolarHBondContact O-N 2.76Å; Q778-N781 PolarHBondContact O-N 2.67Å; Q778-N781 VanDerWaalsContact O-N 3.09Å; Q778-D782 CarbonylContact O-C 3.41Å; Q778-D782 VanDerWaalsContact O-C 3.26Å; Q778-D782 WeakPolarHBondContact O-CA 3.49Å; Q778-D782 PolarHBondContact O-N 3Å; Q778-V786 HydrophobicContact CB-CG2 3.94Å; Q778-V786 HydrophobicContact CG-CG2 3.64Å
779L95.8Very high96.4Very high7 Ų739.8 Ų39.84%0.03720%0.201CC..Hα-helixtrans-57.9-35.2174.8179.566.5000112.2L618 F621 L700 I774 D775 P783 V786L618-L779 HydrophobicContact CB-CD2 4.07Å; F621-L779 HydrophobicContact CD2-CD1 4.01Å; F621-L779 HydrophobicContact CE2-CD1 4.05Å; L700-L779 HydrophobicContact CD2-CD2 3.33Å; I774-L779 HydrophobicContact CG2-CB 4.32Å; D775-L779 PolarHBondContact O-N 2.96Å; L779-P783 HydrophobicContact CD1-CB 4.08Å; L779-P783 WeakPolarHBondContact O-CB 3.36Å; L779-V786 HydrophobicContact CB-CG1 4.48Å; L779-V786 HydrophobicContact CB-CG2 4.33Å; L779-V786 HydrophobicContact CD1-CB 4.24Å; L779-V786 HydrophobicContact CD1-CG1 4.05Å
780R93.9Very high96.5Very high135 Ų13534.6 Ų34.651%0.50917%0.174SC..Hα-helixtrans-72-37.4177.8-179.6-179.7178.9-170.1-3112.6G776 H777 Q778 F814G776-R780 WeakPolarHBondContact O-CB 3.41Å; G776-R780 PolarHBondContact O-N 2.76Å; G776-R780 VanDerWaalsContact O-N 3.14Å; H777-R780 WeakPolarHBondContact O-CB 3.47Å; H777-R780 PolarHBondContact O-N 2.98Å; Q778-R780 PolarHBondContact O-N 2.76Å; R780-F814 HydrophobicContact CG-CD1 4.27Å; R780-F814 HydrophobicContact CG-CE1 4.22Å
781N94.6Very high96.5Very high105 Ų10533.3 Ų33.356%0.56117%0.167SC*.Hα-helixtrans-93.4-40.5-171.1-67.6-14.9000112.6H777 Q778 W815H777-N781 WeakPolarHBondContact O-CB 3.5Å; H777-N781 VanDerWaalsContact O-CG 3.27Å; H777-N781 PolarHBondContact O-N 3.41Å; H777-N781 PolarHBondContact O-ND2 3.19Å; Q778-N781 PolarHBondContact O-N 2.67Å; Q778-N781 VanDerWaalsContact O-N 3.09Å; N781-W815 PolarHBondContact O-NE1 2.88Å
782D95.8Very high96.4Very high75 Ų7539.6 Ų39.640%0.40119%0.194SC..  trans-140.376.3179.9-174-3.3000109.9Q778 A784 A785Q778-D782 CarbonylContact O-C 3.41Å; Q778-D782 VanDerWaalsContact O-C 3.26Å; Q778-D782 WeakPolarHBondContact O-CA 3.49Å; Q778-D782 PolarHBondContact O-N 3Å; D782-A784 PolarHBondContact O-N 3.05Å; D782-A784 PolarHBondContact OD1-N 3.09Å; D782-A785 PolarHBondContact OD1-N 3.39Å; D782-A785 WeakPolarHBondContact OD2-CB 3.32Å
783P96.9Very high96.4Very high0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-65.1-26.8179.126.1-34.7000112.8F621 L779 V786 M787 L806 W815F621-P783 HydrophobicContact CD2-CB 4.07Å; F621-P783 HydrophobicContact CE2-CB 3.59Å; F621-P783 HydrophobicContact CE2-CG 4.38Å; F621-P783 HydrophobicContact CZ-CB 4.29Å; L779-P783 HydrophobicContact CD1-CB 4.08Å; L779-P783 WeakPolarHBondContact O-CB 3.36Å; P783-V786 PolarHBondContact O-N 3.28Å; P783-M787 WeakPolarHBondContact O-CB 3.26Å; P783-M787 VanDerWaalsContact O-CG 3.22Å; P783-M787 WeakPolarHBondContact O-CG 3.15Å; P783-M787 PolarHBondContact O-N 2.89Å; P783-L806 HydrophobicContact CB-CD1 3.83Å; P783-L806 HydrophobicContact CG-CD1 3.78Å; P783-W815 VanDerWaalsContact CD-CD1 3.5Å; P783-W815 HydrophobicContact CG-CB 3.7Å; P783-W815 HydrophobicContact CG-CD2 3.66Å; P783-W815 HydrophobicContact CG-CE3 4.11Å; P783-W815 HydrophobicContact CG-CG 3.47Å; P783-W815 VanDerWaalsContact CG-CG 3.47Å
784A97.3Very high96.3Very high7 Ų740.3 Ų40.36%0.05820%0.196CC..Hα-helixtrans-65.8-43.7-177.600000111.4D782 M787 D788 S803D782-A784 PolarHBondContact O-N 3.05Å; D782-A784 PolarHBondContact OD1-N 3.09Å; A784-M787 PolarHBondContact O-N 2.87Å; A784-D788 PolarHBondContact O-N 2.89Å; A784-S803 WeakPolarHBondContact CB-OG 3.28Å
785A96.8Very high96.2Very high31 Ų3142.6 Ų42.626%0.25622%0.221SC..Hα-helixtrans-61.9-43.8174.600000112.5D782 M787 D788 E789D782-A785 PolarHBondContact OD1-N 3.39Å; D782-A785 WeakPolarHBondContact OD2-CB 3.32Å; A785-M787 VanDerWaalsContact C-N 3.33Å; A785-M787 PolarHBondContact O-N 3.45Å; A785-D788 WeakPolarHBondContact O-CB 3.45Å; A785-D788 PolarHBondContact O-N 3.18Å; A785-E789 PolarHBondContact O-N 3.02Å
786V97.2Very high96.1Very high1 Ų142.1 Ų42.11%0.00622%0.219CC..Hα-helixtrans-62.8-42177.1175.50000111.3I774 Q778 L779 P783 D788 E789 V790I774-V786 HydrophobicContact CD1-CG1 4.07Å; I774-V786 HydrophobicContact CG1-CG1 4.3Å; I774-V786 HydrophobicContact CG2-CG1 3.62Å; Q778-V786 HydrophobicContact CB-CG2 3.94Å; Q778-V786 HydrophobicContact CG-CG2 3.64Å; L779-V786 HydrophobicContact CB-CG1 4.48Å; L779-V786 HydrophobicContact CB-CG2 4.33Å; L779-V786 HydrophobicContact CD1-CB 4.24Å; L779-V786 HydrophobicContact CD1-CG1 4.05Å; P783-V786 PolarHBondContact O-N 3.28Å; V786-D788 VanDerWaalsContact C-N 3.32Å; V786-D788 PolarHBondContact O-N 3.45Å; V786-E789 PolarHBondContact O-N 3.43Å; V786-V790 HydrophobicContact CG1-CG2 4.33Å; V786-V790 VanDerWaalsContact O-CG2 3.31Å; V786-V790 WeakPolarHBondContact O-CG2 3.29Å; V786-V790 PolarHBondContact O-N 2.96Å
787M98.1Very high95.8Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-68.7-30.6179.6-68.7-53.2-62.500112.8L618 F621 L622 P783 A784 A785 V790 Q791 Y802L618-M787 HydrophobicContact CD1-CE 4.42Å; L618-M787 HydrophobicContact CD1-SD 3.5Å; L618-M787 VanDerWaalsContact CD1-SD 3.5Å; F621-M787 HydrophobicContact CB-CE 3.95Å; F621-M787 HydrophobicContact CB-CG 4.06Å; F621-M787 HydrophobicContact CB-SD 3.76Å; F621-M787 HydrophobicContact CD2-CG 4.45Å; F621-M787 HydrophobicContact CD2-SD 4.45Å; L622-M787 HydrophobicContact CD2-CE 3.84Å; L622-M787 HydrophobicContact CG-CE 4Å; P783-M787 WeakPolarHBondContact O-CB 3.26Å; P783-M787 VanDerWaalsContact O-CG 3.22Å; P783-M787 WeakPolarHBondContact O-CG 3.15Å; P783-M787 PolarHBondContact O-N 2.89Å; A784-M787 PolarHBondContact O-N 2.87Å; A785-M787 VanDerWaalsContact C-N 3.33Å; A785-M787 PolarHBondContact O-N 3.45Å; M787-V790 PolarHBondContact O-N 3.33Å; M787-Q791 VanDerWaalsContact O-CG 3.25Å; M787-Q791 WeakPolarHBondContact O-CG 3.2Å; M787-Q791 PolarHBondContact O-N 3.01Å; M787-Q791 PolarHBondContact O-NE2 2.89Å; M787-Y802 HydrophobicContact CB-CD1 4.1Å; M787-Y802 HydrophobicContact CB-CD2 3.35Å; M787-Y802 HydrophobicContact CB-CE1 4.3Å; M787-Y802 HydrophobicContact CB-CE2 3.58Å; M787-Y802 HydrophobicContact CB-CG 3.61Å; M787-Y802 HydrophobicContact CE-CE1 3.98Å; M787-Y802 HydrophobicContact CE-CE2 3.94Å; M787-Y802 VanDerWaalsContact CE-CZ 3.47Å; M787-Y802 VanDerWaalsContact CE-OH 3.26Å; M787-Y802 WeakPolarHBondContact CE-OH 3.01Å; M787-Y802 HydrophobicContact CG-CD1 4.06Å; M787-Y802 HydrophobicContact CG-CD2 4.19Å; M787-Y802 HydrophobicContact CG-CE1 4.14Å; M787-Y802 HydrophobicContact CG-CE2 4.26Å; M787-Y802 HydrophobicContact CG-CG 4.07Å
788D97.6Very high95.7Very high49 Ų4947.9 Ų47.926%0.26226%0.258SS..Hα-helixtrans-61-45.6170-174.484.4000111.6A784 A785 V786 Q791 K792 H799A784-D788 PolarHBondContact O-N 2.89Å; A785-D788 WeakPolarHBondContact O-CB 3.45Å; A785-D788 PolarHBondContact O-N 3.18Å; V786-D788 VanDerWaalsContact C-N 3.32Å; V786-D788 PolarHBondContact O-N 3.45Å; D788-Q791 PolarHBondContact O-N 3.36Å; D788-K792 WeakPolarHBondContact O-CG 3.44Å; D788-K792 PolarHBondContact O-N 3.04Å; D788-K792 VanDerWaalsContact O-N 3.12Å; D788-K792 VanDerWaalsContact OD2-CE 3.23Å; D788-K792 WeakPolarHBondContact OD2-CE 3.32Å; D788-K792 IonicContact OD2-NZ 3.85Å; D788-K792 PolarHBondContact OD2-NZ 2.85Å; D788-H799 IonicContact OD1-CE1 3.01Å; D788-H799 PolarHBondContact OD1-CE1 3.42Å; D788-H799 IonicContact OD1-NE2 2.68Å; D788-H799 PolarHBondContact OD1-NE2 3.31Å
789E96.9Very high95.6Very high89 Ų8949.7 Ų49.742%0.41627%0.266SS..Hα-helixtrans-64.3-41.4174.8-66.8176.3-171.100112.5M772 A785 V786 Q791 K792 F793M772-E789 HydrophobicContact CE-CB 3.71Å; A785-E789 PolarHBondContact O-N 3.02Å; V786-E789 PolarHBondContact O-N 3.43Å; E789-Q791 VanDerWaalsContact C-N 3.33Å; E789-Q791 PolarHBondContact O-N 2.86Å; E789-K792 PolarHBondContact O-N 3.17Å; E789-F793 WeakPolarHBondContact O-CB 3.4Å; E789-F793 PolarHBondContact O-N 3.08Å
790V97.9Very high95.6Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-61.3-43.1177.1169.80000110.7L618 L622 I698 M772 I774 V786 M787 K792 F793 L794L618-V790 HydrophobicContact CD1-CG2 4.45Å; L622-V790 HydrophobicContact CD2-CG1 3.86Å; I698-V790 HydrophobicContact CD1-CG1 4.1Å; M772-V790 HydrophobicContact CE-CG2 3.81Å; M772-V790 HydrophobicContact SD-CG2 3.87Å; I774-V790 HydrophobicContact CD1-CG2 3.72Å; V786-V790 HydrophobicContact CG1-CG2 4.33Å; V786-V790 VanDerWaalsContact O-CG2 3.31Å; V786-V790 WeakPolarHBondContact O-CG2 3.29Å; V786-V790 PolarHBondContact O-N 2.96Å; M787-V790 PolarHBondContact O-N 3.33Å; V790-K792 PolarHBondContact O-N 3.11Å; V790-F793 PolarHBondContact O-N 3.04Å; V790-L794 HydrophobicContact CG1-CD1 3.87Å; V790-L794 HydrophobicContact CG1-CG 4.35Å; V790-L794 WeakPolarHBondContact O-CB 3.48Å; V790-L794 VanDerWaalsContact O-CG 3.28Å; V790-L794 WeakPolarHBondContact O-CG 3.35Å; V790-L794 PolarHBondContact O-N 3.25Å
791Q97.1Very high95.7Very high4 Ų448.5 Ų48.52%0.01927%0.268CS..Hα-helixtrans-61.1-44.8176.6-73.2175.910100111.9H625 M787 D788 E789 L794 G795 V796 F800 Y802H625-Q791 PolarHBondContact CD2-OE1 2.68Å; H625-Q791 VanDerWaalsContact CD2-OE1 3.26Å; H625-Q791 PolarHBondContact NE2-OE1 3.33Å; M787-Q791 VanDerWaalsContact O-CG 3.25Å; M787-Q791 WeakPolarHBondContact O-CG 3.2Å; M787-Q791 PolarHBondContact O-N 3.01Å; M787-Q791 PolarHBondContact O-NE2 2.89Å; D788-Q791 PolarHBondContact O-N 3.36Å; E789-Q791 VanDerWaalsContact C-N 3.33Å; E789-Q791 PolarHBondContact O-N 2.86Å; Q791-L794 PolarHBondContact O-N 2.87Å; Q791-G795 PolarHBondContact O-N 3.08Å; Q791-V796 HydrophobicContact CB-CG1 3.85Å; Q791-V796 HydrophobicContact CG-CG1 3.82Å; Q791-V796 PolarHBondContact O-N 2.78Å; Q791-F800 PolarHBondContact NE2-O 3.08Å; Q791-F800 PolarHBondContact OE1-O 3.24Å; Q791-Y802 HydrophobicContact CG-CE2 4.28Å
792K96.8Very high95.7Very high142 Ų14243.7 Ų43.762%0.61724%0.242SC*.Hα-helixtrans-61.4-43.7176.1-72.5167.7177.5164.10112.2D788 E789 V790 L794 G795D788-K792 WeakPolarHBondContact O-CG 3.44Å; D788-K792 PolarHBondContact O-N 3.04Å; D788-K792 VanDerWaalsContact O-N 3.12Å; D788-K792 VanDerWaalsContact OD2-CE 3.23Å; D788-K792 WeakPolarHBondContact OD2-CE 3.32Å; D788-K792 IonicContact OD2-NZ 3.85Å; D788-K792 PolarHBondContact OD2-NZ 2.85Å; E789-K792 PolarHBondContact O-N 3.17Å; V790-K792 PolarHBondContact O-N 3.11Å; K792-L794 PolarHBondContact O-N 2.8Å; K792-G795 PolarHBondContact O-N 2.59Å
793F97.3Very high95.7Very high40 Ų4044.2 Ų44.218%0.17525%0.251CS..Hα-helixtrans-64.2-38.6178.2171-109000112.9K696 I698 M772 E789 V790 G795K696-F793 HydrophobicContact CB-CE1 3.63Å; K696-F793 HydrophobicContact CB-CZ 3.85Å; K696-F793 HydrophobicContact CD-CE1 4.1Å; K696-F793 HydrophobicContact CD-CE2 3.98Å; K696-F793 HydrophobicContact CD-CZ 3.63Å; K696-F793 HydrophobicContact CG-CE1 4.16Å; K696-F793 HydrophobicContact CG-CZ 4.19Å; I698-F793 HydrophobicContact CD1-CD1 4.42Å; I698-F793 HydrophobicContact CD1-CE1 4.41Å; I698-F793 HydrophobicContact CG1-CD1 4.3Å; I698-F793 HydrophobicContact CG1-CE1 3.86Å; M772-F793 HydrophobicContact CB-CD1 3.76Å; M772-F793 HydrophobicContact CB-CD2 4.08Å; M772-F793 HydrophobicContact CB-CE1 3.55Å; M772-F793 HydrophobicContact CB-CE2 3.91Å; M772-F793 HydrophobicContact CB-CG 4Å; M772-F793 HydrophobicContact CB-CZ 3.62Å; M772-F793 HydrophobicContact CG-CD1 4.34Å; M772-F793 HydrophobicContact CG-CG 4.35Å; M772-F793 HydrophobicContact SD-CB 3.8Å; M772-F793 HydrophobicContact SD-CD1 3.75Å; M772-F793 HydrophobicContact SD-CE1 4.46Å; M772-F793 HydrophobicContact SD-CG 3.83Å; E789-F793 WeakPolarHBondContact O-CB 3.4Å; E789-F793 PolarHBondContact O-N 3.08Å; V790-F793 PolarHBondContact O-N 3.04Å; F793-G795 VanDerWaalsContact C-N 3.35Å
794L96.6Very high95.5Very high15 Ų1551 Ų518%0.07928%0.283CS..Hα-helixtrans-77-21.5176.5-66.3178000112.9F605 L622 I628 F670 K696 I698 V790 Q791 K792 V796F605-L794 HydrophobicContact CB-CD2 3.83Å; F605-L794 HydrophobicContact CD1-CD1 4.12Å; F605-L794 HydrophobicContact CD1-CD2 3.66Å; F605-L794 HydrophobicContact CD2-CD1 4.42Å; F605-L794 HydrophobicContact CD2-CD2 3.99Å; F605-L794 HydrophobicContact CE1-CD1 3.69Å; F605-L794 HydrophobicContact CE1-CD2 4.13Å; F605-L794 HydrophobicContact CE2-CD1 4.03Å; F605-L794 HydrophobicContact CE2-CD2 4.43Å; F605-L794 HydrophobicContact CG-CD1 4.46Å; F605-L794 HydrophobicContact CG-CD2 3.58Å; F605-L794 HydrophobicContact CZ-CD1 3.64Å; F605-L794 HydrophobicContact CZ-CD2 4.49Å; L622-L794 HydrophobicContact CD2-CD1 4.37Å; I628-L794 HydrophobicContact CD1-CD1 4.22Å; F670-L794 WeakPolarHBondContact CE1-O 3.47Å; K696-L794 HydrophobicContact CB-CD2 4.13Å; K696-L794 HydrophobicContact CG-CD2 4.38Å; I698-L794 HydrophobicContact CD1-CD2 4.35Å; V790-L794 HydrophobicContact CG1-CD1 3.87Å; V790-L794 HydrophobicContact CG1-CG 4.35Å; V790-L794 WeakPolarHBondContact O-CB 3.48Å; V790-L794 VanDerWaalsContact O-CG 3.28Å; V790-L794 WeakPolarHBondContact O-CG 3.35Å; V790-L794 PolarHBondContact O-N 3.25Å; Q791-L794 PolarHBondContact O-N 2.87Å; K792-L794 PolarHBondContact O-N 2.8Å; L794-V796 HydrophobicContact CB-CB 4.42Å; L794-V796 PolarHBondContact O-N 3.12Å
795G95Very high95.3Very high52 Ų5252.1 Ų52.154%0.53629%0.29SS..THydrogen-bonded Turntrans64.331.2-173.200000112.4Q791 K792 F793Q791-G795 PolarHBondContact O-N 3.08Å; K792-G795 PolarHBondContact O-N 2.59Å; F793-G795 VanDerWaalsContact C-N 3.35Å
796V92.9Very high95.2Very high7 Ų751 Ų514%0.04228%0.279CS..  trans-78141.2-177.168.10000111I628 F670 Q791 L794I628-V796 HydrophobicContact CD1-CG1 4.44Å; I628-V796 HydrophobicContact CD1-CG2 4.44Å; I628-V796 HydrophobicContact CG1-CG2 4.08Å; F670-V796 HydrophobicContact CD2-CB 4.41Å; F670-V796 HydrophobicContact CD2-CG2 3.82Å; F670-V796 HydrophobicContact CE2-CB 4.38Å; F670-V796 HydrophobicContact CE2-CG2 4.09Å; F670-V796 HydrophobicContact CG-CG2 4.3Å; Q791-V796 HydrophobicContact CB-CG1 3.85Å; Q791-V796 HydrophobicContact CG-CG1 3.82Å; Q791-V796 PolarHBondContact O-N 2.78Å; L794-V796 HydrophobicContact CB-CB 4.42Å; L794-V796 PolarHBondContact O-N 3.12Å
797T89.5Confident95.1Very high91 Ų9153.2 Ų53.256%0.55829%0.293SS*.SBendtrans-133.4146.7177.857.30000111.1S627S627-T797 PolarHBondContact OG-O 2.72Å
798P91.6Very high95Very high88 Ų8857.8 Ų57.857%0.57131%0.313SS*.SBendcis-71.6164.4-5.432.6-36.6000112.1H625H625-P798 PolarHBondContact CE1-O 3.16Å; H625-P798 VanDerWaalsContact CE1-O 3.26Å; H625-P798 PolarHBondContact NE2-O 2.98Å
799H92.6Very high94.7Very high106 Ų10656.6 Ų56.649%0.49131%0.306SS..PPolyproline II helixtrans-72130.8176.7-165.2-87.7000111.2D788D788-H799 IonicContact OD1-CE1 3.01Å; D788-H799 PolarHBondContact OD1-CE1 3.42Å; D788-H799 IonicContact OD1-NE2 2.68Å; D788-H799 PolarHBondContact OD1-NE2 3.31Å
800F94.7Very high94.4Very high46 Ų4657.5 Ų57.520%0.20232%0.32CS..PPolyproline II helixtrans-102.5131.6-179.6-173.2-100.5000111.8M624 H625 Q791 Y802 T805M624-F800 HydrophobicContact CB-CE1 4.1Å; M624-F800 HydrophobicContact CB-CZ 4.32Å; M624-F800 HydrophobicContact CE-CE1 4.41Å; M624-F800 WeakPolarHBondContact O-CZ 3.5Å; H625-F800 WeakPolarHBondContact CD2-CB 3.23Å; Q791-F800 PolarHBondContact NE2-O 3.08Å; Q791-F800 PolarHBondContact OE1-O 3.24Å; F800-Y802 HydrophobicContact CB-CE2 4.29Å; F800-Y802 AromaticContact CD1-CD1 3.98Å; F800-Y802 HydrophobicContact CD1-CD1 3.98Å; F800-Y802 AromaticContact CD1-CD2 3.76Å; F800-Y802 HydrophobicContact CD1-CD2 3.76Å; F800-Y802 AromaticContact CD1-CE1 3.8Å; F800-Y802 HydrophobicContact CD1-CE1 3.8Å; F800-Y802 AromaticContact CD1-CE2 3.58Å; F800-Y802 HydrophobicContact CD1-CE2 3.58Å; F800-Y802 AromaticContact CD1-CG 3.98Å; F800-Y802 HydrophobicContact CD1-CG 3.98Å; F800-Y802 AromaticContact CD1-CZ 3.61Å; F800-Y802 AromaticContact CE1-CD1 3.94Å; F800-Y802 HydrophobicContact CE1-CD1 3.94Å; F800-Y802 AromaticContact CE1-CE1 3.84Å; F800-Y802 HydrophobicContact CE1-CE1 3.84Å; F800-Y802 HydrophobicContact CE1-CE2 4.44Å; F800-Y802 HydrophobicContact CE1-CG 4.3Å; F800-Y802 HydrophobicContact CG-CE2 4.41Å; F800-Y802 PolarHBondContact O-N 3.49Å; F800-T805 HydrophobicContact CE1-CG2 4.16Å; F800-T805 WeakPolarHBondContact CE1-OG1 3.5Å; F800-T805 HydrophobicContact CZ-CG2 3.73Å
801N95.6Very high94Very high71 Ų7166 Ų6638%0.3836%0.359SS..  trans-89.696.4-178.5-170.1-12.3000111.6S803 Q804 T805N801-S803 VanDerWaalsContact C-N 3.31Å; N801-S803 PolarHBondContact O-N 2.88Å; N801-S803 WeakPolarHBondContact OD1-CB 3.44Å; N801-S803 PolarHBondContact OD1-N 3.46Å; N801-S803 VanDerWaalsContact OD1-N 3.1Å; N801-Q804 PolarHBondContact ND2-NE2 2.99Å; N801-Q804 PolarHBondContact O-N 2.75Å; N801-T805 PolarHBondContact O-OG1 3.06Å
802Y96.4Very high93.6Very high4 Ų467.9 Ų67.92%0.01637%0.368CS..G310 helixtrans-68.3-25.7178.6-76.4-82.7000114.1F621 M624 M787 Q791 F800 Q804 T805 L806F621-Y802 HydrophobicContact CB-CE1 4.23Å; F621-Y802 WeakPolarHBondContact O-CE1 3.36Å; F621-Y802 PolarHBondContact O-OH 3.05Å; M624-Y802 HydrophobicContact CB-CE1 4.15Å; M624-Y802 HydrophobicContact CE-CD1 4.47Å; M787-Y802 HydrophobicContact CB-CD1 4.1Å; M787-Y802 HydrophobicContact CB-CD2 3.35Å; M787-Y802 HydrophobicContact CB-CE1 4.3Å; M787-Y802 HydrophobicContact CB-CE2 3.58Å; M787-Y802 HydrophobicContact CB-CG 3.61Å; M787-Y802 HydrophobicContact CE-CE1 3.98Å; M787-Y802 HydrophobicContact CE-CE2 3.94Å; M787-Y802 VanDerWaalsContact CE-CZ 3.47Å; M787-Y802 VanDerWaalsContact CE-OH 3.26Å; M787-Y802 WeakPolarHBondContact CE-OH 3.01Å; M787-Y802 HydrophobicContact CG-CD1 4.06Å; M787-Y802 HydrophobicContact CG-CD2 4.19Å; M787-Y802 HydrophobicContact CG-CE1 4.14Å; M787-Y802 HydrophobicContact CG-CE2 4.26Å; M787-Y802 HydrophobicContact CG-CG 4.07Å; Q791-Y802 HydrophobicContact CG-CE2 4.28Å; F800-Y802 HydrophobicContact CB-CE2 4.29Å; F800-Y802 AromaticContact CD1-CD1 3.98Å; F800-Y802 HydrophobicContact CD1-CD1 3.98Å; F800-Y802 AromaticContact CD1-CD2 3.76Å; F800-Y802 HydrophobicContact CD1-CD2 3.76Å; F800-Y802 AromaticContact CD1-CE1 3.8Å; F800-Y802 HydrophobicContact CD1-CE1 3.8Å; F800-Y802 AromaticContact CD1-CE2 3.58Å; F800-Y802 HydrophobicContact CD1-CE2 3.58Å; F800-Y802 AromaticContact CD1-CG 3.98Å; F800-Y802 HydrophobicContact CD1-CG 3.98Å; F800-Y802 AromaticContact CD1-CZ 3.61Å; F800-Y802 AromaticContact CE1-CD1 3.94Å; F800-Y802 HydrophobicContact CE1-CD1 3.94Å; F800-Y802 AromaticContact CE1-CE1 3.84Å; F800-Y802 HydrophobicContact CE1-CE1 3.84Å; F800-Y802 HydrophobicContact CE1-CE2 4.44Å; F800-Y802 HydrophobicContact CE1-CG 4.3Å; F800-Y802 HydrophobicContact CG-CE2 4.41Å; F800-Y802 PolarHBondContact O-N 3.49Å; Y802-Q804 PolarHBondContact O-N 2.87Å; Y802-T805 WeakPolarHBondContact CA-OG1 3.4Å; Y802-T805 PolarHBondContact O-N 3.25Å; Y802-T805 VanDerWaalsContact O-N 3.11Å; Y802-T805 PolarHBondContact O-OG1 2.99Å; Y802-L806 HydrophobicContact CD1-CD1 4.01Å; Y802-L806 HydrophobicContact CD1-CG 4.34Å; Y802-L806 WeakPolarHBondContact O-CB 3.48Å; Y802-L806 PolarHBondContact O-N 3.1Å
803S94.6Very high93.4Very high85 Ų8562.5 Ų62.559%0.59435%0.352SS*.G310 helixtrans-65.7-21.5179.2-53.80000113.2A784 N801A784-S803 WeakPolarHBondContact CB-OG 3.28Å; N801-S803 VanDerWaalsContact C-N 3.31Å; N801-S803 PolarHBondContact O-N 2.88Å; N801-S803 WeakPolarHBondContact OD1-CB 3.44Å; N801-S803 PolarHBondContact OD1-N 3.46Å; N801-S803 VanDerWaalsContact OD1-N 3.1Å
804Q92.5Very high93.2Very high142 Ų14263.3 Ų63.366%0.66436%0.356SS*.G310 helixtrans-91.9-13.5177.3-67.2178.6-7.600113.1N801 Y802N801-Q804 PolarHBondContact ND2-NE2 2.99Å; N801-Q804 PolarHBondContact O-N 2.75Å; Y802-Q804 PolarHBondContact O-N 2.87Å
805T93.2Very high93.1Very high32 Ų3265.9 Ų65.920%0.19637%0.365CS..THydrogen-bonded Turntrans-121.2-8.3-170.857.80000113.2M624 F800 N801 Y802 L818M624-T805 VanDerWaalsContact CE-CB 3.47Å; M624-T805 WeakPolarHBondContact CE-O 3.27Å; M624-T805 VanDerWaalsContact CE-OG1 3.26Å; M624-T805 WeakPolarHBondContact CE-OG1 3.17Å; F800-T805 HydrophobicContact CE1-CG2 4.16Å; F800-T805 WeakPolarHBondContact CE1-OG1 3.5Å; F800-T805 HydrophobicContact CZ-CG2 3.73Å; N801-T805 PolarHBondContact O-OG1 3.06Å; Y802-T805 WeakPolarHBondContact CA-OG1 3.4Å; Y802-T805 PolarHBondContact O-N 3.25Å; Y802-T805 VanDerWaalsContact O-N 3.11Å; Y802-T805 PolarHBondContact O-OG1 2.99Å; T805-L818 PolarHBondContact O-N 3.2Å
806L95.9Very high93.1Very high7 Ų763.6 Ų63.64%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-109.9139.9170.3-65177.3000110.2F621 M624 P783 Y802 W815 C816F621-L806 HydrophobicContact CD1-CD1 4.33Å; F621-L806 HydrophobicContact CD1-CD2 3.61Å; F621-L806 HydrophobicContact CD2-CD1 4.46Å; F621-L806 HydrophobicContact CE1-CD1 4.42Å; F621-L806 HydrophobicContact CE1-CD2 3.51Å; F621-L806 HydrophobicContact CG-CD1 4.36Å; F621-L806 HydrophobicContact CG-CD2 4.4Å; F621-L806 HydrophobicContact CZ-CD2 4.24Å; M624-L806 HydrophobicContact CE-CD2 3.87Å; M624-L806 HydrophobicContact CE-CG 4.26Å; M624-L806 HydrophobicContact SD-CD2 3.81Å; P783-L806 HydrophobicContact CB-CD1 3.83Å; P783-L806 HydrophobicContact CG-CD1 3.78Å; Y802-L806 HydrophobicContact CD1-CD1 4.01Å; Y802-L806 HydrophobicContact CD1-CG 4.34Å; Y802-L806 WeakPolarHBondContact O-CB 3.48Å; Y802-L806 PolarHBondContact O-N 3.1Å; L806-W815 HydrophobicContact CB-CE3 3.95Å; L806-W815 HydrophobicContact CB-CZ3 4.38Å; L806-C816 WeakPolarHBondContact CA-O 3.48Å
807T95.1Very high93.1Very high47 Ų4766 Ų6629%0.28835%0.351SS..EExtended strand (participates in β ladder)trans-139.3150.5173.4-171.50000110.6W815 C816 L818 T824T807-W815 WeakPolarHBondContact O-CA 3.48Å; T807-C816 PolarHBondContact N-O 3.49Å; T807-C816 PolarHBondContact O-N 3.36Å; T807-L818 HydrophobicContact CG2-CB 4.1Å; T807-L818 HydrophobicContact CG2-CD1 3.98Å; T807-T824 HydrophobicContact CG2-CG2 3.57Å
808F94.8Very high93.3Very high97 Ų9764.9 Ų64.943%0.42534%0.341SS..EExtended strand (participates in β ladder)trans-81.3124.2176.1-175.2-97.8000110.2P810 W815F808-P810 HydrophobicContact CD1-CG 4.4Å; F808-P810 WeakPolarHBondContact O-CD 2.94Å; F808-W815 HydrophobicContact CB-CD2 4.18Å; F808-W815 HydrophobicContact CB-CE3 4.44Å; F808-W815 HydrophobicContact CB-CZ2 4.42Å; F808-W815 AromaticContact CD2-CD1 3.94Å; F808-W815 HydrophobicContact CD2-CG 4.32Å; F808-W815 AromaticContact CD2-NE1 3.96Å
809D92.8Very high93.2Very high23 Ų2364 Ų6412%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-98111.6176.1-175-56.5000109.7Q811 K812 G813 F814 C816 T824D809-Q811 VanDerWaalsContact C-N 3.3Å; D809-Q811 PolarHBondContact O-N 3.2Å; D809-Q811 WeakPolarHBondContact OD1-CB 3.35Å; D809-Q811 PolarHBondContact OD1-N 3.49Å; D809-K812 HydrophobicContact CB-CB 3.94Å; D809-K812 PolarHBondContact O-N 2.87Å; D809-K812 PolarHBondContact OD1-N 3.25Å; D809-G813 WeakPolarHBondContact O-CA 3.16Å; D809-G813 PolarHBondContact O-N 2.9Å; D809-F814 PolarHBondContact N-O 2.63Å; D809-F814 VanDerWaalsContact N-O 3.08Å; D809-C816 HydrophobicContact CB-CB 4.46Å; D809-T824 PolarHBondContact OD2-OG1 3.37Å
810P90.4Very high92.9Very high108 Ų10868 Ų6870%0.70135%0.35SS*.THydrogen-bonded Turntrans-65.5-29.8-176.1-22.934.5000114F808F808-P810 HydrophobicContact CD1-CG 4.4Å; F808-P810 WeakPolarHBondContact O-CD 2.94Å
811Q88.6Confident92.2Very high178 Ų17869.8 Ų69.883%0.83238%0.382SS*.THydrogen-bonded Turntrans-73.6-39.9179.8-63.5-171.3-300110.8D809D809-Q811 VanDerWaalsContact C-N 3.3Å; D809-Q811 PolarHBondContact O-N 3.2Å; D809-Q811 WeakPolarHBondContact OD1-CB 3.35Å; D809-Q811 PolarHBondContact OD1-N 3.49Å
812K89.3Confident91.6Very high45 Ų4569 Ų6920%0.19639%0.391CS..THydrogen-bonded Turntrans-72.2-36.6174-17566.1-170.2-170.70111.5D809 F814 C826 L827 G828 K831D809-K812 HydrophobicContact CB-CB 3.94Å; D809-K812 PolarHBondContact O-N 2.87Å; D809-K812 PolarHBondContact OD1-N 3.25Å; K812-F814 VanDerWaalsContact C-N 3.34Å; K812-F814 HydrophobicContact CG-CB 4.09Å; K812-F814 HydrophobicContact CG-CD2 4.19Å; K812-F814 WeakPolarHBondContact O-CD2 3.21Å; K812-C826 HydrophobicContact CD-CB 4.24Å; K812-C826 HydrophobicContact CG-CB 4.09Å; K812-L827 WeakPolarHBondContact CE-O 3.47Å; K812-L827 PolarHBondContact NZ-O 3.13Å; K812-G828 PolarHBondContact NZ-O 3.14Å; K812-G828 VanDerWaalsContact NZ-O 3.14Å; K812-K831 WeakPolarHBondContact CE-O 3.39Å; K812-K831 PolarHBondContact NZ-O 3.02Å
813G91.2Very high91.2Very high28 Ų2876.1 Ų76.129%0.28942%0.422SS..THydrogen-bonded Turntrans75.621.3-172.800000113.7D809D809-G813 WeakPolarHBondContact O-CA 3.16Å; D809-G813 PolarHBondContact O-N 2.9Å
814F93.5Very high91Very high58 Ų5874.7 Ų74.725%0.25441%0.409SS..EExtended strand (participates in β ladder)trans-145.7160.8-178.7-67.4-86000110.4R780 D809 K812 C816 G832R780-F814 HydrophobicContact CG-CD1 4.27Å; R780-F814 HydrophobicContact CG-CE1 4.22Å; D809-F814 PolarHBondContact N-O 2.63Å; D809-F814 VanDerWaalsContact N-O 3.08Å; K812-F814 VanDerWaalsContact C-N 3.34Å; K812-F814 HydrophobicContact CG-CB 4.09Å; K812-F814 HydrophobicContact CG-CD2 4.19Å; K812-F814 WeakPolarHBondContact O-CD2 3.21Å; F814-C816 PolarHBondContact O-SG 3.19Å; F814-G832 VanDerWaalsContact CE2-CA 3.47Å
815W95.1Very high90.9Very high69 Ų6974.1 Ų74.126%0.26141%0.405SS..EExtended strand (participates in β ladder)trans-69.1140.2170.6-69.986000112.1F621 N781 P783 L806 T807 F808F621-W815 HydrophobicContact CZ-CB 4.49Å; N781-W815 PolarHBondContact O-NE1 2.88Å; P783-W815 VanDerWaalsContact CD-CD1 3.5Å; P783-W815 HydrophobicContact CG-CB 3.7Å; P783-W815 HydrophobicContact CG-CD2 3.66Å; P783-W815 HydrophobicContact CG-CE3 4.11Å; P783-W815 HydrophobicContact CG-CG 3.47Å; P783-W815 VanDerWaalsContact CG-CG 3.47Å; L806-W815 HydrophobicContact CB-CE3 3.95Å; L806-W815 HydrophobicContact CB-CZ3 4.38Å; T807-W815 WeakPolarHBondContact O-CA 3.48Å; F808-W815 HydrophobicContact CB-CD2 4.18Å; F808-W815 HydrophobicContact CB-CE3 4.44Å; F808-W815 HydrophobicContact CB-CZ2 4.42Å; F808-W815 AromaticContact CD2-CD1 3.94Å; F808-W815 HydrophobicContact CD2-CG 4.32Å; F808-W815 AromaticContact CD2-NE1 3.96Å
816C94.4Very high90.9Very high3 Ų374.5 Ų74.52%0.0241%0.408CS..EExtended strand (participates in β ladder)trans-134.8161.2-176.7-56.70000110.4L806 T807 D809 F814 L818 C826L806-C816 WeakPolarHBondContact CA-O 3.48Å; T807-C816 PolarHBondContact N-O 3.49Å; T807-C816 PolarHBondContact O-N 3.36Å; D809-C816 HydrophobicContact CB-CB 4.46Å; F814-C816 PolarHBondContact O-SG 3.19Å; C816-L818 PolarHBondContact O-N 2.86Å; C816-C826 HydrophobicContact CB-CB 3.94Å; C816-C826 WeakPolarHBondContact CB-SG 3.38Å; C816-C826 WeakPolarHBondContact SG-CA 3.25Å; C816-C826 WeakPolarHBondContact SG-CB 3.5Å; C816-C826 CovalentContact SG-SG 2.03Å; C816-C826 PolarHBondContact SG-SG 3.39Å
817Q94.1Very high90.6Very high57 Ų5775.8 Ų75.827%0.26642%0.415SS..EExtended strand (participates in β ladder)trans-69.9130.2172.5175.7179.317.800109.6M624 L819 T824 K825M624-Q817 HydrophobicContact CE-CB 4.33Å; M624-Q817 HydrophobicContact CE-CG 3.91Å; M624-Q817 HydrophobicContact SD-CB 4.08Å; M624-Q817 HydrophobicContact SD-CG 4.07Å; Q817-L819 HydrophobicContact CG-CD2 4.1Å; Q817-T824 CarbonylContact O-C 3.57Å; Q817-T824 WeakPolarHBondContact O-CA 3.36Å; Q817-K825 HydrophobicContact CB-CB 4.24Å; Q817-K825 PolarHBondContact N-O 3.1Å; Q817-K825 VanDerWaalsContact N-O 3.1Å; Q817-K825 PolarHBondContact O-N 2.84Å
818L93.1Very high90.3Very high69 Ų6975.8 Ų75.836%0.36142%0.424SS..EExtended strand (participates in β ladder)trans-80.5127170.3-176.964.1000109.1T805 T807 C816T805-L818 PolarHBondContact O-N 3.2Å; T807-L818 HydrophobicContact CG2-CB 4.1Å; T807-L818 HydrophobicContact CG2-CD1 3.98Å; C816-L818 PolarHBondContact O-N 2.86Å
819L89.8Confident89.8Confident70 Ų7080.9 Ų80.937%0.36645%0.446SS..  trans-107168.6174.5-58.4-178.5000110.6Q817 G822 K823 K825Q817-L819 HydrophobicContact CG-CD2 4.1Å; L819-G822 PolarHBondContact O-N 3.3Å; L819-K823 HydrophobicContact CB-CB 4.32Å; L819-K823 WeakPolarHBondContact CB-O 3.34Å; L819-K823 PolarHBondContact N-O 3.4Å; L819-K825 HydrophobicContact CD1-CB 3.92Å; L819-K825 HydrophobicContact CD2-CB 4.32Å; L819-K825 HydrophobicContact CG-CB 4.08Å
820E85.1Confident89.4Confident188 Ų18882.4 Ų82.488%0.87946%0.459SS*.G310 helixtrans-54.7143173.2-66.1-176.117200112.2G822E820-G822 VanDerWaalsContact C-N 3.29Å; E820-G822 PolarHBondContact O-N 3.07Å
821G81Confident89.3Confident84 Ų8480.3 Ų80.387%0.86644%0.438SS*.G310 helixtrans7217.4-177.200000114.7K823G821-K823 VanDerWaalsContact C-N 3.33Å; G821-K823 PolarHBondContact O-N 2.92Å
822G82.3Confident89.1Confident56 Ų5673.6 Ų73.658%0.57742%0.417SS*.G310 helixtrans79.78.7173.900000115.2L819 E820L819-G822 PolarHBondContact O-N 3.3Å; E820-G822 VanDerWaalsContact C-N 3.29Å; E820-G822 PolarHBondContact O-N 3.07Å
823K87.9Confident89Confident153 Ų15374.4 Ų74.467%0.66542%0.419SS*.  trans-75.3148.5177.5-67.7177.7-178.9173.10110.8L819 G821L819-K823 HydrophobicContact CB-CB 4.32Å; L819-K823 WeakPolarHBondContact CB-O 3.34Å; L819-K823 PolarHBondContact N-O 3.4Å; G821-K823 VanDerWaalsContact C-N 3.33Å; G821-K823 PolarHBondContact O-N 2.92Å
824T90.2Very high88.8Confident54 Ų5482.2 Ų82.233%0.33145%0.445SS..EExtended strand (participates in β ladder)trans-107.2136.8177.557.20000111.6T807 D809 Q817T807-T824 HydrophobicContact CG2-CG2 3.57Å; D809-T824 PolarHBondContact OD2-OG1 3.37Å; Q817-T824 CarbonylContact O-C 3.57Å; Q817-T824 WeakPolarHBondContact O-CA 3.36Å
825K91.9Very high88.7Confident130 Ų13083.7 Ų83.757%0.56545%0.449SS*.EExtended strand (participates in β ladder)trans-108.894.4169.4-175180177.9-173.20109.2Q817 L819Q817-K825 HydrophobicContact CB-CB 4.24Å; Q817-K825 PolarHBondContact N-O 3.1Å; Q817-K825 VanDerWaalsContact N-O 3.1Å; Q817-K825 PolarHBondContact O-N 2.84Å; L819-K825 HydrophobicContact CD1-CB 3.92Å; L819-K825 HydrophobicContact CD2-CB 4.32Å; L819-K825 HydrophobicContact CG-CB 4.08Å
826C92.3Very high88.6Confident40 Ų4084.3 Ų84.327%0.2746%0.463SS..PPolyproline II helixtrans-89.5160.5-179.5-64.40000113K812 C816K812-C826 HydrophobicContact CD-CB 4.24Å; K812-C826 HydrophobicContact CG-CB 4.09Å; C816-C826 HydrophobicContact CB-CB 3.94Å; C816-C826 WeakPolarHBondContact CB-SG 3.38Å; C816-C826 WeakPolarHBondContact SG-CA 3.25Å; C816-C826 WeakPolarHBondContact SG-CB 3.5Å; C816-C826 CovalentContact SG-SG 2.03Å; C816-C826 PolarHBondContact SG-SG 3.39Å
827L90.4Very high88.6Confident35 Ų3589.8 Ų89.818%0.18350%0.498CS..PPolyproline II helixtrans-58.8146.2168.3-73.9160.6000111.7T616 A617 L620 K812 K831T616-L827 HydrophobicContact CG2-CD2 3.85Å; A617-L827 HydrophobicContact CB-CD1 3.73Å; L620-L827 HydrophobicContact CD1-CD2 3.24Å; L620-L827 HydrophobicContact CD1-CG 3.92Å; L620-L827 HydrophobicContact CG-CD2 3.97Å; K812-L827 WeakPolarHBondContact CE-O 3.47Å; K812-L827 PolarHBondContact NZ-O 3.13Å; L827-K831 HydrophobicContact CB-CB 3.82Å; L827-K831 HydrophobicContact CB-CG 4.22Å; L827-K831 HydrophobicContact CD1-CB 4.25Å; L827-K831 HydrophobicContact CD2-CG 4.25Å; L827-K831 HydrophobicContact CG-CB 4.47Å
828G87.3Confident88.7Confident46 Ų4687.7 Ų87.747%0.47449%0.488SS..PPolyproline II helixtrans-58.5169.4-17900000115K812 S830 K831K812-G828 PolarHBondContact NZ-O 3.14Å; K812-G828 VanDerWaalsContact NZ-O 3.14Å; G828-S830 PolarHBondContact O-N 3.48Å; G828-S830 VanDerWaalsContact O-N 3.08Å; G828-K831 PolarHBondContact O-N 3.38Å
829K86.1Confident88.8Confident204 Ų20488.6 Ų88.689%0.88749%0.494SS*.THydrogen-bonded Turntrans-56.6-27.7-176-66.2-176.2-179.7179.40113.8K831K829-K831 PolarHBondContact O-N 3.08Å
830S83.2Confident89.1Confident55 Ų5590.5 Ų90.539%0.38551%0.51SS..THydrogen-bonded Turntrans-73.9-5178670000114.3G828 R833G828-S830 PolarHBondContact O-N 3.48Å; G828-S830 VanDerWaalsContact O-N 3.08Å; S830-R833 PolarHBondContact O-NH1 3.39Å
831K88.9Confident89.7Confident64 Ų6487.1 Ų87.128%0.27849%0.494SS..SBendtrans-119.3129.5179.4-48.8-67.5175.4164.50108.9T616 E639 K812 L827 G828 K829T616-K831 HydrophobicContact CG2-CD 4.37Å; T616-K831 PolarHBondContact OG1-NZ 2.84Å; E639-K831 IonicContact OE1-NZ 3.88Å; K812-K831 WeakPolarHBondContact CE-O 3.39Å; K812-K831 PolarHBondContact NZ-O 3.02Å; L827-K831 HydrophobicContact CB-CB 3.82Å; L827-K831 HydrophobicContact CB-CG 4.22Å; L827-K831 HydrophobicContact CD1-CB 4.25Å; L827-K831 HydrophobicContact CD2-CG 4.25Å; L827-K831 HydrophobicContact CG-CB 4.47Å; G828-K831 PolarHBondContact O-N 3.38Å; K829-K831 PolarHBondContact O-N 3.08Å
832G84.1Confident90.4Very high37 Ų3783.1 Ų83.138%0.38145%0.453SS..SBendtrans69.843.5-169.800000112.9F814F814-G832 VanDerWaalsContact CE2-CA 3.47Å
833R86.6Confident91.1Very high63 Ų6384.5 Ų84.524%0.23844%0.441CS..  trans-59.3140.5177.7-71.5-174.1-179.379.5-2.5110S830 Y835S830-R833 PolarHBondContact O-NH1 3.39Å; R833-Y835 HydrophobicContact CB-CD1 3.79Å; R833-Y835 HydrophobicContact CB-CE1 4.02Å; R833-Y835 WeakPolarHBondContact O-CD1 3.42Å; R833-Y835 WeakPolarHBondContact O-CE1 3.14Å
834K86.7Confident91.5Very high192 Ų19280 Ų8084%0.83543%0.432SS*.  trans-84.9118.5168.7-62.6-176.5-179.4-1780107.9
835Y91.9Very high91.8Very high88 Ų8880.9 Ų80.935%0.34543%0.43SS..  trans-141.5160.6175.543.6-108000109.1Y709 Q713 R833Y709-Y835 HydrophobicContact CD1-CD2 4.31Å; Y709-Y835 AromaticContact CD1-CE2 3.87Å; Y709-Y835 HydrophobicContact CD1-CE2 3.87Å; Y709-Y835 AromaticContact CE1-CD2 3.67Å; Y709-Y835 HydrophobicContact CE1-CD2 3.67Å; Y709-Y835 AromaticContact CE1-CE2 3.69Å; Y709-Y835 HydrophobicContact CE1-CE2 3.69Å; Q713-Y835 HydrophobicContact CB-CD1 3.76Å; Q713-Y835 HydrophobicContact CB-CE1 3.97Å; Q713-Y835 HydrophobicContact CB-CG 4.06Å; Q713-Y835 HydrophobicContact CG-CD1 3.92Å; Q713-Y835 HydrophobicContact CG-CD2 3.81Å; Q713-Y835 HydrophobicContact CG-CE1 4.27Å; Q713-Y835 HydrophobicContact CG-CE2 4.16Å; Q713-Y835 HydrophobicContact CG-CG 3.68Å; R833-Y835 HydrophobicContact CB-CD1 3.79Å; R833-Y835 HydrophobicContact CB-CE1 4.02Å; R833-Y835 WeakPolarHBondContact O-CD1 3.42Å; R833-Y835 WeakPolarHBondContact O-CE1 3.14Å
836P93.5Very high92.1Very high83 Ų8374.7 Ų74.754%0.53940%0.403SS..PPolyproline II helixtrans-53.8153178.8-26.635.5000112.4Y709Y709-P836 WeakPolarHBondContact CE1-O 3.37Å; Y709-P836 PolarHBondContact OH-O 3.34Å
837P94.9Very high92.2Very high117 Ų11774.2 Ų74.276%0.7640%0.4SS*.PPolyproline II helixtrans-61.6152.3170.628.1-33.8000110.5Y709Y709-P837 PolarHBondContact OH-O 2.93Å
838M96.5Very high92.5Very high14 Ų1482.3 Ų82.37%0.06943%0.428CS..PPolyproline II helixtrans-65.5136.3175.6-171.8-171.1-34.800110.6D706 Y709 F728 A842 R843 L846D706-M838 WeakPolarHBondContact OD1-CE 3.42Å; Y709-M838 HydrophobicContact CD1-CB 3.97Å; Y709-M838 HydrophobicContact CD1-CE 4.24Å; Y709-M838 HydrophobicContact CD1-CG 4.49Å; Y709-M838 HydrophobicContact CD2-CB 4.37Å; Y709-M838 HydrophobicContact CD2-CG 4.12Å; Y709-M838 HydrophobicContact CE1-CB 3.99Å; Y709-M838 HydrophobicContact CE2-CB 4.37Å; Y709-M838 HydrophobicContact CE2-CG 4.35Å; Y709-M838 HydrophobicContact CG-CB 4.15Å; Y709-M838 HydrophobicContact CG-CE 3.97Å; Y709-M838 HydrophobicContact CG-CG 4.16Å; F728-M838 HydrophobicContact CD1-CG 4.07Å; F728-M838 HydrophobicContact CD1-SD 4.43Å; F728-M838 HydrophobicContact CE1-CG 4.07Å; F728-M838 HydrophobicContact CE1-SD 3.85Å; M838-A842 HydrophobicContact CG-CB 4.11Å; M838-A842 HydrophobicContact SD-CB 4.42Å; M838-R843 HydrophobicContact SD-CB 4.03Å; M838-L846 HydrophobicContact SD-CD1 4.04Å
839D95Very high92.9Very high88 Ų8883.8 Ų83.847%0.47142%0.42SS..PPolyproline II helixtrans-55.9138176.6-61.4-61000111.7E841 A842 R843D839-E841 VanDerWaalsContact C-N 3.26Å; D839-E841 PolarHBondContact O-N 3.13Å; D839-A842 HydrophobicContact CB-CB 4.3Å; D839-A842 PolarHBondContact O-N 2.9Å; D839-A842 VanDerWaalsContact O-N 3.13Å; D839-R843 PolarHBondContact O-N 3.37Å
840P96.1Very high93.5Very high110 Ų11074 Ų7471%0.71438%0.377SS*.Hα-helixtrans-56.9-37.1-179.5-27.235.1000113.8R843 A844P840-R843 PolarHBondContact O-N 3.12Å; P840-A844 WeakPolarHBondContact O-CB 3.41Å; P840-A844 PolarHBondContact O-N 3.34Å
841E96.1Very high94.1Very high116 Ų11676.7 Ų76.754%0.54238%0.379SS..Hα-helixtrans-64.3-44.1177.3-169.1-177.1-176.900111.7Y729 D839 R843 A844 Y845Y729-E841 HydrophobicContact CD2-CG 4.32Å; Y729-E841 HydrophobicContact CE1-CG 4.35Å; Y729-E841 VanDerWaalsContact CE1-OE1 3.3Å; Y729-E841 WeakPolarHBondContact CE1-OE1 3.49Å; Y729-E841 HydrophobicContact CE2-CG 3.75Å; Y729-E841 VanDerWaalsContact CZ-CD 3.42Å; Y729-E841 PolarHBondContact OH-OE1 3.42Å; D839-E841 VanDerWaalsContact C-N 3.26Å; D839-E841 PolarHBondContact O-N 3.13Å; E841-R843 VanDerWaalsContact C-N 3.34Å; E841-R843 PolarHBondContact O-N 2.96Å; E841-A844 PolarHBondContact O-N 3.28Å; E841-Y845 WeakPolarHBondContact O-CB 3.3Å; E841-Y845 PolarHBondContact O-N 3.26Å
842A97.5Very high94.4Very high0 Ų079.2 Ų79.20%039%0.392CS..Hα-helixtrans-63.1-40.1175.400000111.9F728 Y729 I732 M838 D839 Y845 L846F728-A842 HydrophobicContact CD1-CB 3.95Å; F728-A842 HydrophobicContact CE1-CB 4.37Å; Y729-A842 HydrophobicContact CD2-CB 4.07Å; I732-A842 HydrophobicContact CD1-CB 3.78Å; M838-A842 HydrophobicContact CG-CB 4.11Å; M838-A842 HydrophobicContact SD-CB 4.42Å; D839-A842 HydrophobicContact CB-CB 4.3Å; D839-A842 PolarHBondContact O-N 2.9Å; D839-A842 VanDerWaalsContact O-N 3.13Å; A842-Y845 PolarHBondContact O-N 3.06Å; A842-L846 WeakPolarHBondContact O-CG 3.38Å; A842-L846 PolarHBondContact O-N 3.01Å
843R96.6Very high95Very high86 Ų8680.2 Ų80.233%0.32539%0.386SS..Hα-helixtrans-63.1-44.5175.1-176.4172.4-69-85.9-4.1111.8D706 M838 D839 P840 E841 L846 S847D706-R843 IonicContact OD1-CZ 3.97Å; D706-R843 IonicContact OD1-NH1 3.46Å; D706-R843 PolarHBondContact OD1-NH1 3.17Å; D706-R843 IonicContact OD1-NH2 3.86Å; D706-R843 PolarHBondContact OD1-NH2 3.15Å; D706-R843 IonicContact OD2-NH1 3.82Å; M838-R843 HydrophobicContact SD-CB 4.03Å; D839-R843 PolarHBondContact O-N 3.37Å; P840-R843 PolarHBondContact O-N 3.12Å; E841-R843 VanDerWaalsContact C-N 3.34Å; E841-R843 PolarHBondContact O-N 2.96Å; R843-L846 PolarHBondContact O-N 3.46Å; R843-S847 WeakPolarHBondContact O-CB 3.39Å; R843-S847 PolarHBondContact O-N 2.99Å
844A95.4Very high95.5Very high57 Ų5777.5 Ų77.547%0.47138%0.376SS..Hα-helixtrans-63.5-41.8177.600000112P840 E841 R848P840-A844 WeakPolarHBondContact O-CB 3.41Å; P840-A844 PolarHBondContact O-N 3.34Å; E841-A844 PolarHBondContact O-N 3.28Å; A844-R848 PolarHBondContact O-N 3.31Å; A844-R848 VanDerWaalsContact O-N 3.17Å
845Y97.1Very high95.9Very high74 Ų7469.9 Ų69.929%0.2935%0.346SS..Hα-helixtrans-59.6-49174.4178.6-86.2000111.8Y729 I732 E841 A842 R848 Y849Y729-Y845 HydrophobicContact CE2-CD2 4.41Å; Y729-Y845 HydrophobicContact CE2-CG 4.32Å; I732-Y845 HydrophobicContact CB-CD1 4.34Å; I732-Y845 HydrophobicContact CB-CE1 4.14Å; I732-Y845 HydrophobicContact CD1-CD1 3.75Å; I732-Y845 HydrophobicContact CD1-CE1 4.41Å; I732-Y845 HydrophobicContact CD1-CG 4.39Å; I732-Y845 HydrophobicContact CG1-CD1 3.91Å; I732-Y845 HydrophobicContact CG1-CE1 4.1Å; I732-Y845 WeakPolarHBondContact O-CE1 3.5Å; I732-Y845 PolarHBondContact O-OH 3.43Å; I732-Y845 VanDerWaalsContact O-OH 3.09Å; E841-Y845 WeakPolarHBondContact O-CB 3.3Å; E841-Y845 PolarHBondContact O-N 3.26Å; A842-Y845 PolarHBondContact O-N 3.06Å; Y845-R848 PolarHBondContact O-N 3.21Å; Y845-Y849 WeakPolarHBondContact O-CB 3.4Å; Y845-Y849 PolarHBondContact O-N 3.38Å
846L97.7Very high96.2Very high0 Ų069.7 Ų69.70%035%0.348CS..Hα-helixtrans-68.6-37.4-177.9-68.4171.4000112.9S705 F728 I732 L750 M838 A842 R843 R848 Y849 Y850S705-L846 VanDerWaalsContact OG-CB 3.32Å; S705-L846 WeakPolarHBondContact OG-CB 3.43Å; F728-L846 HydrophobicContact CE1-CD1 3.61Å; F728-L846 HydrophobicContact CZ-CD1 3.76Å; I732-L846 HydrophobicContact CB-CD2 4.25Å; I732-L846 HydrophobicContact CD1-CD1 4.03Å; I732-L846 HydrophobicContact CD1-CD2 4.03Å; I732-L846 HydrophobicContact CD1-CG 3.8Å; I732-L846 HydrophobicContact CG2-CD2 4.18Å; L750-L846 HydrophobicContact CD2-CD2 3.42Å; L750-L846 VanDerWaalsContact CD2-CD2 3.42Å; M838-L846 HydrophobicContact SD-CD1 4.04Å; A842-L846 WeakPolarHBondContact O-CG 3.38Å; A842-L846 PolarHBondContact O-N 3.01Å; R843-L846 PolarHBondContact O-N 3.46Å; L846-R848 VanDerWaalsContact C-N 3.26Å; L846-R848 PolarHBondContact O-N 3.44Å; L846-Y849 PolarHBondContact O-N 3.11Å; L846-Y850 HydrophobicContact CB-CD2 4.29Å; L846-Y850 HydrophobicContact CB-CE2 4.44Å; L846-Y850 HydrophobicContact CD2-CE2 4.02Å; L846-Y850 WeakPolarHBondContact O-CD2 3.35Å; L846-Y850 PolarHBondContact O-N 3.43Å
847S95.2Very high96.4Very high30 Ų3065.8 Ų65.821%0.2132%0.323CS..Hα-helixtrans-60.7-39.2174.5-171.80000110.9R843 R851 E875R843-S847 WeakPolarHBondContact O-CB 3.39Å; R843-S847 PolarHBondContact O-N 2.99Å; S847-R851 PolarHBondContact O-N 3.47Å; S847-E875 PolarHBondContact OG-OE2 2.89Å
848R95.6Very high96.5Very high204 Ų20461.5 Ų61.577%0.7730%0.295SS*.Hα-helixtrans-67.9-44.8172.3-168.9-178.2-56.3177.74.1112.6A844 Y845 L846 Y850 R851A844-R848 PolarHBondContact O-N 3.31Å; A844-R848 VanDerWaalsContact O-N 3.17Å; Y845-R848 PolarHBondContact O-N 3.21Å; L846-R848 VanDerWaalsContact C-N 3.26Å; L846-R848 PolarHBondContact O-N 3.44Å; R848-Y850 PolarHBondContact O-N 3.1Å; R848-R851 WeakPolarHBondContact O-CB 3.37Å; R848-R851 PolarHBondContact O-N 3.43Å
849Y96.8Very high96.4Very high77 Ų7766.2 Ų66.230%0.30232%0.316SS..Hα-helixtrans-60.8-43.8-179.2177.3-96.6000112.2L750 L754 Y845 L846L750-Y849 HydrophobicContact CB-CE1 4.07Å; L750-Y849 HydrophobicContact CD1-CE1 4.24Å; L750-Y849 HydrophobicContact CD1-CE2 4.31Å; L750-Y849 HydrophobicContact CD2-CD1 4.47Å; L750-Y849 HydrophobicContact CD2-CE1 4.32Å; L750-Y849 HydrophobicContact CG-CE1 4.44Å; L754-Y849 HydrophobicContact CD2-CE1 4.3Å; Y845-Y849 WeakPolarHBondContact O-CB 3.4Å; Y845-Y849 PolarHBondContact O-N 3.38Å; L846-Y849 PolarHBondContact O-N 3.11Å
850Y97.8Very high96.5Very high0 Ų062.1 Ų62.10%029%0.294CS..Hα-helixtrans-87.7-3.5-178.2-70.6-61.5000114.5P704 L750 L754 L846 R848 E852 H853 N854P704-Y850 HydrophobicContact CB-CD1 4.08Å; P704-Y850 HydrophobicContact CB-CD2 3.78Å; P704-Y850 HydrophobicContact CB-CE1 4.03Å; P704-Y850 HydrophobicContact CB-CE2 3.72Å; P704-Y850 HydrophobicContact CB-CG 3.96Å; P704-Y850 HydrophobicContact CG-CD1 4.22Å; P704-Y850 HydrophobicContact CG-CD2 3.73Å; P704-Y850 HydrophobicContact CG-CE2 4.2Å; P704-Y850 HydrophobicContact CG-CG 3.73Å; L750-Y850 VanDerWaalsContact CA-OH 3.26Å; L750-Y850 WeakPolarHBondContact CA-OH 3.25Å; L750-Y850 PolarHBondContact O-OH 3.06Å; L754-Y850 HydrophobicContact CD2-CD1 4.07Å; L754-Y850 HydrophobicContact CD2-CE1 3.82Å; L846-Y850 HydrophobicContact CB-CD2 4.29Å; L846-Y850 HydrophobicContact CB-CE2 4.44Å; L846-Y850 HydrophobicContact CD2-CE2 4.02Å; L846-Y850 WeakPolarHBondContact O-CD2 3.35Å; L846-Y850 PolarHBondContact O-N 3.43Å; R848-Y850 PolarHBondContact O-N 3.1Å; Y850-E852 PolarHBondContact O-N 3.14Å; Y850-H853 CarbonylContact O-C 3.57Å; Y850-H853 PolarHBondContact O-N 3.07Å; Y850-H853 VanDerWaalsContact O-N 3.11Å; Y850-N854 WeakPolarHBondContact O-CB 3.21Å; Y850-N854 PolarHBondContact O-N 3.22Å
851R95.4Very high96.4Very high110 Ų11057 Ų5742%0.41526%0.26SS..Hα-helixtrans-49.8-58.3-174.6-178.1178179.9164.15.3112.7S847 R848 H853 N854 V855 V879S847-R851 PolarHBondContact O-N 3.47Å; R848-R851 WeakPolarHBondContact O-CB 3.37Å; R848-R851 PolarHBondContact O-N 3.43Å; R851-H853 VanDerWaalsContact C-N 3.32Å; R851-H853 PolarHBondContact O-N 2.71Å; R851-N854 PolarHBondContact O-N 3.4Å; R851-V855 WeakPolarHBondContact O-CG2 3.46Å; R851-V855 PolarHBondContact O-N 2.68Å; R851-V855 VanDerWaalsContact O-N 3.08Å; R851-V879 HydrophobicContact CG-CG2 4.07Å; R851-V879 PolarHBondContact NH2-O 3.44Å
852E95.6Very high96.4Very high118 Ų11859 Ų5955%0.55127%0.269SS*.Hα-helixtrans-64.3-39-179.2-63-53.4125.600111.6Y850 N854 V855 E856Y850-E852 PolarHBondContact O-N 3.14Å; E852-N854 VanDerWaalsContact C-N 3.33Å; E852-N854 PolarHBondContact O-N 2.82Å; E852-V855 PolarHBondContact O-N 3.24Å; E852-E856 WeakPolarHBondContact O-CG 3.25Å; E852-E856 PolarHBondContact O-N 3.48Å
853H96.6Very high96.2Very high57 Ų5766.3 Ų66.326%0.26430%0.297SS..Hα-helixtrans-65.1-35.1177.9-64.4-65.9000113.1L754 Y850 R851 L857L754-H853 HydrophobicContact CD2-CB 4.31Å; L754-H853 VanDerWaalsContact CD2-CD2 3.4Å; L754-H853 WeakPolarHBondContact CD2-CD2 3.3Å; L754-H853 WeakPolarHBondContact CD2-NE2 3.41Å; Y850-H853 CarbonylContact O-C 3.57Å; Y850-H853 PolarHBondContact O-N 3.07Å; Y850-H853 VanDerWaalsContact O-N 3.11Å; R851-H853 VanDerWaalsContact C-N 3.32Å; R851-H853 PolarHBondContact O-N 2.71Å; H853-L857 WeakPolarHBondContact O-CB 3.48Å; H853-L857 PolarHBondContact O-N 3.25Å
854N97.4Very high95.9Very high6 Ų664.1 Ų64.13%0.03229%0.292CS..Hα-helixtrans-71.1-37.1174.9-74.8-12.8000111.5Y850 R851 E852 L857 S858 L872Y850-N854 WeakPolarHBondContact O-CB 3.21Å; Y850-N854 PolarHBondContact O-N 3.22Å; R851-N854 PolarHBondContact O-N 3.4Å; E852-N854 VanDerWaalsContact C-N 3.33Å; E852-N854 PolarHBondContact O-N 2.82Å; N854-L857 PolarHBondContact O-N 3.43Å; N854-S858 PolarHBondContact O-N 2.91Å; N854-L872 HydrophobicContact CB-CD1 3.69Å
855V96.3Very high95.8Very high33 Ų3364.7 Ų64.720%0.230%0.302CS..Hα-helixtrans-62.3-47172.3170.30000110.4R851 E852 L857 S858 K859 L876R851-V855 WeakPolarHBondContact O-CG2 3.46Å; R851-V855 PolarHBondContact O-N 2.68Å; R851-V855 VanDerWaalsContact O-N 3.08Å; E852-V855 PolarHBondContact O-N 3.24Å; V855-L857 VanDerWaalsContact C-N 3.34Å; V855-L857 PolarHBondContact O-N 2.95Å; V855-S858 WeakPolarHBondContact O-CB 3.44Å; V855-S858 PolarHBondContact O-N 3.38Å; V855-K859 HydrophobicContact CG1-CD 4.48Å; V855-K859 WeakPolarHBondContact O-CG 3.43Å; V855-K859 PolarHBondContact O-N 2.95Å; V855-L876 HydrophobicContact CG2-CD2 3.97Å
856E96.3Very high95.4Very high84 Ų8464.1 Ų64.139%0.39330%0.303SS..Hα-helixtrans-63.3-38.8176.4-68.3-50.2123.700112.5A756 E852 S858 K859 L860A756-E856 HydrophobicContact CB-CB 4.1Å; E852-E856 WeakPolarHBondContact O-CG 3.25Å; E852-E856 PolarHBondContact O-N 3.48Å; E856-S858 VanDerWaalsContact C-N 3.34Å; E856-S858 PolarHBondContact O-N 3.16Å; E856-K859 PolarHBondContact O-N 3.07Å; E856-K859 IonicContact OE1-NZ 3.13Å; E856-K859 PolarHBondContact OE1-NZ 3.27Å; E856-L860 WeakPolarHBondContact O-CB 3.29Å; E856-L860 PolarHBondContact O-N 3.38Å
857L97.8Very high95Very high1 Ų169.1 Ų69.11%0.00534%0.335CS..Hα-helixtrans-61.2-43.6173-179.863.6000111.4L701 Y755 A756 L759 H853 N854 V855 K859 L860 L861 W871 L872L701-L857 HydrophobicContact CD1-CD1 4.29Å; L701-L857 HydrophobicContact CD1-CD2 4.22Å; Y755-L857 HydrophobicContact CD2-CD2 3.9Å; Y755-L857 HydrophobicContact CG-CD2 4.47Å; A756-L857 HydrophobicContact CB-CB 4.17Å; L759-L857 HydrophobicContact CD1-CD1 3.68Å; H853-L857 WeakPolarHBondContact O-CB 3.48Å; H853-L857 PolarHBondContact O-N 3.25Å; N854-L857 PolarHBondContact O-N 3.43Å; V855-L857 VanDerWaalsContact C-N 3.34Å; V855-L857 PolarHBondContact O-N 2.95Å; L857-K859 PolarHBondContact O-N 3.08Å; L857-L860 PolarHBondContact O-N 3.33Å; L857-L861 HydrophobicContact CD1-CD1 4.31Å; L857-L861 HydrophobicContact CD1-CG 4.16Å; L857-L861 HydrophobicContact CG-CD1 4.1Å; L857-L861 HydrophobicContact CG-CG 4.35Å; L857-L861 VanDerWaalsContact O-CG 3.31Å; L857-L861 WeakPolarHBondContact O-CG 3.33Å; L857-L861 PolarHBondContact O-N 3.02Å; L857-W871 HydrophobicContact CD2-CH2 3.8Å; L857-W871 HydrophobicContact CD2-CZ2 4.2Å; L857-L872 HydrophobicContact CD2-CD2 3.93Å; L857-L872 HydrophobicContact CG-CD2 4.05Å
858S97.2Very high94.9Very high26 Ų2670.1 Ų70.118%0.18234%0.338CS..Hα-helixtrans-60.6-44.1177.2-170.20000112.2N854 V855 E856 L860 L861 H862N854-S858 PolarHBondContact O-N 2.91Å; V855-S858 WeakPolarHBondContact O-CB 3.44Å; V855-S858 PolarHBondContact O-N 3.38Å; E856-S858 VanDerWaalsContact C-N 3.34Å; E856-S858 PolarHBondContact O-N 3.16Å; S858-L860 VanDerWaalsContact C-N 3.35Å; S858-L861 PolarHBondContact O-N 2.97Å; S858-H862 WeakPolarHBondContact O-CB 3.47Å; S858-H862 PolarHBondContact O-N 3.13Å
859K95.7Very high94.9Very high114 Ų11460.7 Ų60.750%0.49630%0.303SS..Hα-helixtrans-62.8-43.1176.6-69.2173.3-174.1166.90111.2V855 E856 L857 H862 R863V855-K859 HydrophobicContact CG1-CD 4.48Å; V855-K859 WeakPolarHBondContact O-CG 3.43Å; V855-K859 PolarHBondContact O-N 2.95Å; E856-K859 PolarHBondContact O-N 3.07Å; E856-K859 IonicContact OE1-NZ 3.13Å; E856-K859 PolarHBondContact OE1-NZ 3.27Å; L857-K859 PolarHBondContact O-N 3.08Å; K859-H862 PolarHBondContact O-N 2.8Å; K859-R863 WeakPolarHBondContact O-CB 3.48Å; K859-R863 PolarHBondContact O-N 3.05Å
860L95.8Very high94.6Very high2 Ų258.6 Ų58.61%0.0130%0.3CS..Hα-helixtrans-61.1-51.5176.4174.861.6000111.4A756 L759 E760 L763 E856 L857 S858 H862 R863 L864A756-L860 HydrophobicContact CB-CD2 4.46Å; L759-L860 HydrophobicContact CB-CD2 3.64Å; L759-L860 HydrophobicContact CD1-CD2 4.1Å; E760-L860 HydrophobicContact CG-CD2 4.27Å; L763-L860 HydrophobicContact CD1-CD1 3.87Å; L763-L860 HydrophobicContact CD1-CD2 4.43Å; E856-L860 WeakPolarHBondContact O-CB 3.29Å; E856-L860 PolarHBondContact O-N 3.38Å; L857-L860 PolarHBondContact O-N 3.33Å; S858-L860 VanDerWaalsContact C-N 3.35Å; L860-H862 VanDerWaalsContact C-N 3.29Å; L860-H862 PolarHBondContact O-N 3.29Å; L860-R863 WeakPolarHBondContact O-CB 3.2Å; L860-R863 PolarHBondContact O-N 3.09Å; L860-L864 HydrophobicContact CD1-CD1 3.87Å; L860-L864 HydrophobicContact CD1-CG 4.07Å; L860-L864 HydrophobicContact CG-CD1 3.93Å; L860-L864 HydrophobicContact CG-CG 4.49Å; L860-L864 VanDerWaalsContact O-CG 3.3Å; L860-L864 WeakPolarHBondContact O-CG 3.42Å; L860-L864 PolarHBondContact O-N 3.48Å
861L95.8Very high94.4Very high1 Ų158.7 Ų58.71%0.00530%0.3CS..Hα-helixtrans-60.1-40.2179.7-68.4177.7000112I773 L857 S858 L864 G865 Q866 L868 P869 L872I773-L861 HydrophobicContact CD1-CD2 3.41Å; I773-L861 VanDerWaalsContact CD1-CD2 3.41Å; I773-L861 HydrophobicContact CG2-CD2 4.48Å; L857-L861 HydrophobicContact CD1-CD1 4.31Å; L857-L861 HydrophobicContact CD1-CG 4.16Å; L857-L861 HydrophobicContact CG-CD1 4.1Å; L857-L861 HydrophobicContact CG-CG 4.35Å; L857-L861 VanDerWaalsContact O-CG 3.31Å; L857-L861 WeakPolarHBondContact O-CG 3.33Å; L857-L861 PolarHBondContact O-N 3.02Å; S858-L861 PolarHBondContact O-N 2.97Å; L861-L864 CarbonylContact O-C 3.1Å; L861-L864 PolarHBondContact O-N 2.7Å; L861-G865 PolarHBondContact O-N 3.12Å; L861-G865 VanDerWaalsContact O-N 3.1Å; L861-Q866 HydrophobicContact CB-CB 4.41Å; L861-Q866 HydrophobicContact CD2-CB 3.97Å; L861-Q866 PolarHBondContact O-N 2.85Å; L861-L868 HydrophobicContact CB-CD2 3.9Å; L861-L868 HydrophobicContact CD1-CD2 3.86Å; L861-P869 HydrophobicContact CD1-CG 4.44Å; L861-L872 HydrophobicContact CD1-CD2 3.92Å
862H94.6Very high94.4Very high158 Ų15853.5 Ų53.573%0.73128%0.28SS*.Hα-helixtrans-61.1-46.3175.2-173.370000112.2S858 K859 L860 L864 G865S858-H862 WeakPolarHBondContact O-CB 3.47Å; S858-H862 PolarHBondContact O-N 3.13Å; K859-H862 PolarHBondContact O-N 2.8Å; L860-H862 VanDerWaalsContact C-N 3.29Å; L860-H862 PolarHBondContact O-N 3.29Å; H862-L864 PolarHBondContact O-N 2.98Å; H862-G865 PolarHBondContact O-N 2.86Å
863R93.6Very high94.3Very high155 Ų15554.5 Ų54.559%0.58528%0.279SS*.Hα-helixtrans-60.7-32.7174.6169.6174.937.8145.2-3.4112.7E760 K859 L860 G865E760-R863 IonicContact OE1-CZ 2.75Å; E760-R863 VanDerWaalsContact OE1-CZ 3.31Å; E760-R863 IonicContact OE1-NH1 2.93Å; E760-R863 PolarHBondContact OE1-NH1 3.18Å; E760-R863 IonicContact OE1-NH2 3.36Å; E760-R863 PolarHBondContact OE1-NH2 3.18Å; E760-R863 IonicContact OE2-NH1 2.74Å; K859-R863 WeakPolarHBondContact O-CB 3.48Å; K859-R863 PolarHBondContact O-N 3.05Å; L860-R863 WeakPolarHBondContact O-CB 3.2Å; L860-R863 PolarHBondContact O-N 3.09Å; R863-G865 VanDerWaalsContact C-N 3.3Å
864L91.3Very high94Very high40 Ų4057.3 Ų57.321%0.20929%0.293CS..THydrogen-bonded Turntrans-82.4-5.2177.1-63.4172.9000113.6L763 I773 L860 L861 H862 Q866L763-L864 HydrophobicContact CD1-CD1 3.83Å; L763-L864 HydrophobicContact CD1-CD2 4.06Å; L763-L864 HydrophobicContact CD1-CG 4.5Å; L763-L864 HydrophobicContact CD2-CD2 4.12Å; I773-L864 HydrophobicContact CD1-CD1 4.45Å; L860-L864 HydrophobicContact CD1-CD1 3.87Å; L860-L864 HydrophobicContact CD1-CG 4.07Å; L860-L864 HydrophobicContact CG-CD1 3.93Å; L860-L864 HydrophobicContact CG-CG 4.49Å; L860-L864 VanDerWaalsContact O-CG 3.3Å; L860-L864 WeakPolarHBondContact O-CG 3.42Å; L860-L864 PolarHBondContact O-N 3.48Å; L861-L864 CarbonylContact O-C 3.1Å; L861-L864 PolarHBondContact O-N 2.7Å; H862-L864 PolarHBondContact O-N 2.98Å; L864-Q866 HydrophobicContact CB-CB 4.48Å; L864-Q866 HydrophobicContact CB-CG 3.8Å; L864-Q866 PolarHBondContact O-N 3.08Å
865G91.8Very high93.8Very high68 Ų6857.6 Ų57.670%0.70129%0.293SS*.THydrogen-bonded Turntrans66.822.9-173.900000113.8L861 H862 R863L861-G865 PolarHBondContact O-N 3.12Å; L861-G865 VanDerWaalsContact O-N 3.1Å; H862-G865 PolarHBondContact O-N 2.86Å; R863-G865 VanDerWaalsContact C-N 3.3Å
866Q89.1Confident93.5Very high63 Ų6357.6 Ų57.629%0.29429%0.292SS..PPolyproline II helixtrans-94141.9-177.4-65.2-68.5-29.200110.9L861 L864L861-Q866 HydrophobicContact CB-CB 4.41Å; L861-Q866 HydrophobicContact CD2-CB 3.97Å; L861-Q866 PolarHBondContact O-N 2.85Å; L864-Q866 HydrophobicContact CB-CB 4.48Å; L864-Q866 HydrophobicContact CB-CG 3.8Å; L864-Q866 PolarHBondContact O-N 3.08Å
867P90.5Very high93.1Very high105 Ų10560 Ų6068%0.68230%0.304SS*.PPolyproline II helixtrans-65.4145.6176.728-33.8000111.3P869P867-P869 WeakPolarHBondContact O-CD 3.41Å
868L93.1Very high92.3Very high50 Ų5065.8 Ų65.826%0.26233%0.329SS..PPolyproline II helixtrans-74.6127.1175.7-61.9-179.6000110.4L861 L872 R873L861-L868 HydrophobicContact CB-CD2 3.9Å; L861-L868 HydrophobicContact CD1-CD2 3.86Å; L868-L872 HydrophobicContact CD2-CD2 4.05Å; L868-R873 HydrophobicContact CB-CG 3.77Å; L868-R873 HydrophobicContact CD1-CG 4.23Å; L868-R873 PolarHBondContact O-NE 2.79Å; L868-R873 VanDerWaalsContact O-NE 3.07Å; L868-R873 PolarHBondContact O-NH2 3.12Å
869P93.6Very high90.7Very high7 Ų766.9 Ų66.95%0.04533%0.334CS..PPolyproline II helixtrans-51.6145170.9-27.635000111.8D775 L861 P867 W871 L872 R873D775-P869 HydrophobicContact CB-CB 4.14Å; D775-P869 WeakPolarHBondContact OD2-CA 3.43Å; L861-P869 HydrophobicContact CD1-CG 4.44Å; P867-P869 WeakPolarHBondContact O-CD 3.41Å; P869-W871 VanDerWaalsContact C-N 3.34Å; P869-W871 HydrophobicContact CB-CD2 4.45Å; P869-W871 HydrophobicContact CB-CG 4.31Å; P869-W871 HydrophobicContact CB-CZ2 4.43Å; P869-W871 VanDerWaalsContact CB-NE1 3.26Å; P869-W871 HydrophobicContact CG-CZ2 4.49Å; P869-W871 PolarHBondContact O-N 2.8Å; P869-L872 HydrophobicContact CB-CB 4.24Å; P869-L872 WeakPolarHBondContact O-CB 3.43Å; P869-L872 PolarHBondContact O-N 3.28Å; P869-R873 PolarHBondContact O-N 3.48Å; P869-R873 VanDerWaalsContact O-N 3.13Å
870S91.3Very high88.5Confident33 Ų3374.8 Ų74.823%0.23136%0.361CS..Hα-helixtrans-50.8-51.5179.250.90000112.2D775 L872 R873 E874D775-S870 WeakPolarHBondContact OD2-CB 3.26Å; D775-S870 PolarHBondContact OD2-N 2.87Å; D775-S870 PolarHBondContact OD2-OG 2.84Å; S870-L872 PolarHBondContact O-N 2.95Å; S870-R873 PolarHBondContact O-N 2.91Å; S870-E874 PolarHBondContact O-N 3.47Å
871W93.9Very high88.1Confident2 Ų278.5 Ų78.51%0.00838%0.379CS..Hα-helixtrans-60-31.6178.267.9-96.9000113.5L701 I702 N703 P704 Y755 H777 L857 P869 E875L701-W871 HydrophobicContact CB-CZ2 3.97Å; L701-W871 PolarHBondContact O-NE1 2.71Å; I702-W871 VanDerWaalsContact C-CE2 3.43Å; I702-W871 WeakPolarHBondContact O-CZ2 3.45Å; N703-W871 HydrophobicContact CB-CB 4.21Å; N703-W871 HydrophobicContact CB-CD2 4.29Å; N703-W871 HydrophobicContact CB-CE3 4.15Å; N703-W871 HydrophobicContact CB-CG 4.34Å; P704-W871 HydrophobicContact CG-CZ3 4.3Å; Y755-W871 AromaticContact CD2-CH2 3.95Å; Y755-W871 HydrophobicContact CD2-CH2 3.95Å; Y755-W871 HydrophobicContact CD2-CZ2 4.12Å; Y755-W871 AromaticContact CE2-CH2 3.88Å; Y755-W871 HydrophobicContact CE2-CH2 3.88Å; Y755-W871 AromaticContact CE2-CZ2 3.91Å; Y755-W871 HydrophobicContact CE2-CZ2 3.91Å; H777-W871 AromaticContact CD2-CD1 3.79Å; L857-W871 HydrophobicContact CD2-CH2 3.8Å; L857-W871 HydrophobicContact CD2-CZ2 4.2Å; P869-W871 VanDerWaalsContact C-N 3.34Å; P869-W871 HydrophobicContact CB-CD2 4.45Å; P869-W871 HydrophobicContact CB-CG 4.31Å; P869-W871 HydrophobicContact CB-CZ2 4.43Å; P869-W871 VanDerWaalsContact CB-NE1 3.26Å; P869-W871 HydrophobicContact CG-CZ2 4.49Å; P869-W871 PolarHBondContact O-N 2.8Å; W871-E875 WeakPolarHBondContact O-CG 3.45Å; W871-E875 PolarHBondContact O-N 3.08Å; W871-E875 VanDerWaalsContact O-N 3.09Å
872L95.5Very high87.7Confident0 Ų082.5 Ų82.50%040%0.398CS..Hα-helixtrans-75.3-39.1-17918060.6000110.5N854 L857 L861 L868 P869 S870 E874 E875 L876N854-L872 HydrophobicContact CB-CD1 3.69Å; L857-L872 HydrophobicContact CD2-CD2 3.93Å; L857-L872 HydrophobicContact CG-CD2 4.05Å; L861-L872 HydrophobicContact CD1-CD2 3.92Å; L868-L872 HydrophobicContact CD2-CD2 4.05Å; P869-L872 HydrophobicContact CB-CB 4.24Å; P869-L872 WeakPolarHBondContact O-CB 3.43Å; P869-L872 PolarHBondContact O-N 3.28Å; S870-L872 PolarHBondContact O-N 2.95Å; L872-E874 VanDerWaalsContact C-N 3.3Å; L872-E874 PolarHBondContact O-N 3.25Å; L872-E875 PolarHBondContact O-N 3.14Å; L872-L876 HydrophobicContact CD1-CD1 4.06Å; L872-L876 HydrophobicContact CD1-CG 4.07Å; L872-L876 HydrophobicContact CG-CD1 3.88Å; L872-L876 HydrophobicContact CG-CG 4.34Å; L872-L876 WeakPolarHBondContact O-CB 3.41Å; L872-L876 WeakPolarHBondContact O-CG 3.03Å; L872-L876 PolarHBondContact O-N 3.34Å
873R93.1Very high87.3Confident139 Ų13978.3 Ų78.353%0.52538%0.38SS..Hα-helixtrans-58.9-43.6173.6-71.5-176.6-93.8162.2-5111.2L868 P869 S870 L876 Q877L868-R873 HydrophobicContact CB-CG 3.77Å; L868-R873 HydrophobicContact CD1-CG 4.23Å; L868-R873 PolarHBondContact O-NE 2.79Å; L868-R873 VanDerWaalsContact O-NE 3.07Å; L868-R873 PolarHBondContact O-NH2 3.12Å; P869-R873 PolarHBondContact O-N 3.48Å; P869-R873 VanDerWaalsContact O-N 3.13Å; S870-R873 PolarHBondContact O-N 2.91Å; R873-L876 PolarHBondContact O-N 2.99Å; R873-Q877 WeakPolarHBondContact O-CG 3.42Å; R873-Q877 PolarHBondContact O-N 3.34Å; R873-Q877 VanDerWaalsContact O-N 3.14Å
874E91.5Very high87Confident117 Ų11773.8 Ų73.855%0.54737%0.368SS..Hα-helixtrans-64-44.6176.8-67.7172.7-167.300112.6S870 L872 Q877S870-E874 PolarHBondContact O-N 3.47Å; L872-E874 VanDerWaalsContact C-N 3.3Å; L872-E874 PolarHBondContact O-N 3.25Å; E874-Q877 PolarHBondContact O-N 2.03Å
875E92.1Very high86.7Confident11 Ų1175.9 Ų75.95%0.05138%0.377CS..Hα-helixtrans-66-37.7177.7-74-63.1133.300112.5N703 S847 W871 L872 Q877 K878N703-E875 WeakPolarHBondContact ND2-CG 3Å; N703-E875 PolarHBondContact ND2-OE1 2.83Å; N703-E875 VanDerWaalsContact ND2-OE1 3.16Å; S847-E875 PolarHBondContact OG-OE2 2.89Å; W871-E875 WeakPolarHBondContact O-CG 3.45Å; W871-E875 PolarHBondContact O-N 3.08Å; W871-E875 VanDerWaalsContact O-N 3.09Å; L872-E875 PolarHBondContact O-N 3.14Å; E875-Q877 VanDerWaalsContact C-N 3.31Å; E875-Q877 PolarHBondContact O-N 2.78Å; E875-K878 WeakPolarHBondContact O-CB 3.41Å; E875-K878 PolarHBondContact O-N 3.1Å; E875-K878 IonicContact OE1-NZ 3.75Å; E875-K878 PolarHBondContact OE1-NZ 2.79Å; E875-K878 IonicContact OE2-NZ 2.78Å
876L90.5Very high86.4Confident33 Ų3376.5 Ų76.517%0.17336%0.356CS..Hα-helixtrans-71.6-24.8178.6-68.1170.3000113V855 L872 R873 K878 V879V855-L876 HydrophobicContact CG2-CD2 3.97Å; L872-L876 HydrophobicContact CD1-CD1 4.06Å; L872-L876 HydrophobicContact CD1-CG 4.07Å; L872-L876 HydrophobicContact CG-CD1 3.88Å; L872-L876 HydrophobicContact CG-CG 4.34Å; L872-L876 WeakPolarHBondContact O-CB 3.41Å; L872-L876 WeakPolarHBondContact O-CG 3.03Å; L872-L876 PolarHBondContact O-N 3.34Å; R873-L876 PolarHBondContact O-N 2.99Å; L876-K878 PolarHBondContact O-N 2.8Å; L876-V879 WeakPolarHBondContact O-CB 3.42Å; L876-V879 PolarHBondContact O-N 2.81Å
877Q88.4Confident86.2Confident136 Ų13677.4 Ų77.464%0.63636%0.36SS*.Hα-helixtrans-66.4-28.3172.9-76.9173.6-1.500112.3R873 E874 E875 V879 R880R873-Q877 WeakPolarHBondContact O-CG 3.42Å; R873-Q877 PolarHBondContact O-N 3.34Å; R873-Q877 VanDerWaalsContact O-N 3.14Å; E874-Q877 PolarHBondContact O-N 2.03Å; E875-Q877 VanDerWaalsContact C-N 3.31Å; E875-Q877 PolarHBondContact O-N 2.78Å; Q877-V879 PolarHBondContact O-N 3.43Å; Q877-R880 PolarHBondContact O-N 3.28Å
878K80.4Confident85.8Confident121 Ų12175.3 Ų75.353%0.52634%0.336SS..THydrogen-bonded Turntrans-73.1-8.8176-56.8172.5-173.6171.80113.7E875 L876E875-K878 WeakPolarHBondContact O-CB 3.41Å; E875-K878 PolarHBondContact O-N 3.1Å; E875-K878 IonicContact OE1-NZ 3.75Å; E875-K878 PolarHBondContact OE1-NZ 2.79Å; E875-K878 IonicContact OE2-NZ 2.78Å; L876-K878 PolarHBondContact O-N 2.8Å
879V63.1Low85.2Confident50 Ų5077.4 Ų77.430%0.30334%0.342SS..THydrogen-bonded Turntrans-88.5-22.3-179.4177.20000111.3R851 L876 Q877R851-V879 HydrophobicContact CG-CG2 4.07Å; R851-V879 PolarHBondContact NH2-O 3.44Å; L876-V879 WeakPolarHBondContact O-CB 3.42Å; L876-V879 PolarHBondContact O-N 2.81Å; Q877-V879 PolarHBondContact O-N 3.43Å
880R49.2Very low84.5Confident280 Ų28083.8 Ų83.8100%1.05737%0.369SS*.  trans-82.80170.1-66.7-177.2178.4-176.6-1.3109.5Q877Q877-R880 PolarHBondContact O-N 3.28Å

Retrieved 880 of 880 residues in 350.7 ms (Link to these results)

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