A0A3Q0KTF1_SCHMA Loading...

Delta-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KTF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 732 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
1M54.6Low73.1Confident200 Ų200129 Ų12999%0.98560%0.601SS**  0-47.50-168.9170.5178.800110.1D3 F4M1-D3 PolarHBondContact N-OD2 3.16Å; M1-D3 PolarHBondContact O-N 3.13Å; M1-D3 VanDerWaalsContact O-N 3.17Å; M1-F4 PolarHBondContact O-N 2.88Å
2L54Low74Confident131 Ų131127.6 Ų127.669%0.68660%0.6SS**Hα-helixtrans-50-36.8171.6-79.473.8000113.1F4 Q5 F6L2-F4 VanDerWaalsContact C-N 3.26Å; L2-F4 PolarHBondContact O-N 2.56Å; L2-Q5 WeakPolarHBondContact O-CB 3.12Å; L2-Q5 PolarHBondContact O-N 2.79Å; L2-F6 PolarHBondContact O-N 3.37Å
3D69.8Low74.7Confident114 Ų114125.1 Ų125.161%0.6159%0.592SS**Hα-helixtrans-54.7-39.9-177.2-33.5-86.3000112.7M1 Q5 F6 L7M1-D3 PolarHBondContact N-OD2 3.16Å; M1-D3 PolarHBondContact O-N 3.13Å; M1-D3 VanDerWaalsContact O-N 3.17Å; D3-Q5 VanDerWaalsContact C-N 3.34Å; D3-F6 PolarHBondContact O-N 2.63Å; D3-L7 PolarHBondContact O-N 3.06Å
4F71Confident75.3Confident115 Ų115120.9 Ų120.950%0.50458%0.575SS.*Hα-helixtrans-68.9-36.3179.9-133.5-87.9000111.4M1 L2 T8 I367M1-F4 PolarHBondContact O-N 2.88Å; L2-F4 VanDerWaalsContact C-N 3.26Å; L2-F4 PolarHBondContact O-N 2.56Å; F4-T8 PolarHBondContact O-N 3.4Å; F4-T8 PolarHBondContact O-OG1 3.38Å; F4-I367 HydrophobicContact CE1-CD1 4.14Å
5Q74.4Confident75.7Confident125 Ų125115.9 Ų115.958%0.58456%0.557SS**Hα-helixtrans-71.6-41.6178.7-158.3166.96.500110.7L2 D3 L7 T8 Y9L2-Q5 WeakPolarHBondContact O-CB 3.12Å; L2-Q5 PolarHBondContact O-N 2.79Å; D3-Q5 VanDerWaalsContact C-N 3.34Å; Q5-L7 PolarHBondContact O-N 3.02Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.18Å; Q5-T8 PolarHBondContact O-N 3.02Å; Q5-T8 PolarHBondContact O-OG1 3.49Å; Q5-Y9 HydrophobicContact CG-CD2 4.49Å; Q5-Y9 PolarHBondContact O-N 3.03Å
6F75Confident75.9Confident168 Ų168116.8 Ų116.874%0.73756%0.555SS**Hα-helixtrans-59-45.5172.1-115.6-84.2000112.2L2 D3 T8 Y9 F10L2-F6 PolarHBondContact O-N 3.37Å; D3-F6 PolarHBondContact O-N 2.63Å; F6-T8 PolarHBondContact O-N 2.89Å; F6-Y9 PolarHBondContact O-N 2.68Å; F6-F10 WeakPolarHBondContact O-CB 3.21Å; F6-F10 PolarHBondContact O-N 3.43Å
7L78Confident76.1Confident92 Ų92118.2 Ų118.248%0.48256%0.558SS.*Hα-helixtrans-58.1-46.1173.7-92.4156.2000112.2D3 Q5 Y9 F10 W11D3-L7 PolarHBondContact O-N 3.06Å; Q5-L7 PolarHBondContact O-N 3.02Å; L7-Y9 PolarHBondContact O-N 2.76Å; L7-F10 PolarHBondContact O-N 3.22Å; L7-W11 PolarHBondContact O-N 2.84Å
8T79.5Confident76.2Confident58 Ų58116.2 Ų116.236%0.35655%0.551SS.*Hα-helixtrans-63-39177.849.80000113.3F4 Q5 F6 L12F4-T8 PolarHBondContact O-N 3.4Å; F4-T8 PolarHBondContact O-OG1 3.38Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.18Å; Q5-T8 PolarHBondContact O-N 3.02Å; Q5-T8 PolarHBondContact O-OG1 3.49Å; F6-T8 PolarHBondContact O-N 2.89Å; T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.34Å; T8-L12 VanDerWaalsContact O-N 3.09Å
9Y82.2Confident76Confident151 Ų151115.1 Ų115.159%0.59255%0.548SS*.Hα-helixtrans-67-39.5174.8-93.4-84.1000112.4Q5 F6 L7 L12 L13Q5-Y9 HydrophobicContact CG-CD2 4.49Å; Q5-Y9 PolarHBondContact O-N 3.03Å; F6-Y9 PolarHBondContact O-N 2.68Å; L7-Y9 PolarHBondContact O-N 2.76Å; Y9-L12 PolarHBondContact O-N 2.87Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 WeakPolarHBondContact O-CG 3.4Å; Y9-L13 PolarHBondContact O-N 3.08Å
10F83.2Confident75.6Confident123 Ų123112.9 Ų112.954%0.53954%0.537SS..Hα-helixtrans-62.1-46.3176.5-176.2-95.4000112F6 L7 L12 L13 L14F6-F10 WeakPolarHBondContact O-CB 3.21Å; F6-F10 PolarHBondContact O-N 3.43Å; L7-F10 PolarHBondContact O-N 3.22Å; F10-L12 PolarHBondContact O-N 3.45Å; F10-L13 PolarHBondContact O-N 3.2Å; F10-L14 WeakPolarHBondContact O-CB 3.44Å; F10-L14 PolarHBondContact O-N 2.86Å
11W83.1Confident75Confident142 Ų142110 Ų11054%0.53853%0.532SS..Hα-helixtrans-64.8-37.7176.7-74.7113.2000113L7 L14 S15L7-W11 PolarHBondContact O-N 2.84Å; W11-L14 HydrophobicContact CE3-CD2 3.96Å; W11-L14 HydrophobicContact CZ3-CD2 3.81Å; W11-L14 PolarHBondContact O-N 2.98Å; W11-S15 WeakPolarHBondContact O-CB 3.48Å; W11-S15 PolarHBondContact O-N 2.99Å; W11-S15 PolarHBondContact O-OG 3.46Å
12L82.9Confident75.3Confident112 Ų112109 Ų10959%0.58652%0.518SS*.Hα-helixtrans-63.6-47.8174.1-75.7169.6000111.6T8 Y9 F10 L14 S15 Y16T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.34Å; T8-L12 VanDerWaalsContact O-N 3.09Å; Y9-L12 PolarHBondContact O-N 2.87Å; F10-L12 PolarHBondContact O-N 3.45Å; L12-L14 PolarHBondContact O-N 3.13Å; L12-S15 PolarHBondContact O-N 3.29Å; L12-S15 PolarHBondContact O-OG 3.43Å; L12-Y16 PolarHBondContact O-N 3.08Å
13L84.3Confident75.2Confident95 Ų95105.8 Ų105.850%0.49751%0.506SS..Hα-helixtrans-59.7-45.5175.3-74.8168.1000111.8Y9 F10 S15 Y16 F17Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 WeakPolarHBondContact O-CG 3.4Å; Y9-L13 PolarHBondContact O-N 3.08Å; F10-L13 PolarHBondContact O-N 3.2Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3Å; L13-Y16 WeakPolarHBondContact O-CB 3.47Å; L13-Y16 PolarHBondContact O-N 2.78Å; L13-F17 VanDerWaalsContact O-CD2 3.22Å; L13-F17 WeakPolarHBondContact O-CD2 3.35Å; L13-F17 PolarHBondContact O-N 2.86Å
14L82.5Confident74.4Confident67 Ų67106.1 Ų106.135%0.35151%0.507SS..Hα-helixtrans-60.2-43.4177.1-163.179000111.4F10 W11 L12 Y16 F17 I18F10-L14 WeakPolarHBondContact O-CB 3.44Å; F10-L14 PolarHBondContact O-N 2.86Å; W11-L14 HydrophobicContact CE3-CD2 3.96Å; W11-L14 HydrophobicContact CZ3-CD2 3.81Å; W11-L14 PolarHBondContact O-N 2.98Å; L12-L14 PolarHBondContact O-N 3.13Å; L14-Y16 VanDerWaalsContact C-N 3.34Å; L14-Y16 PolarHBondContact O-N 2.92Å; L14-F17 PolarHBondContact O-N 2.84Å; L14-I18 HydrophobicContact CD2-CD1 4.37Å; L14-I18 HydrophobicContact CG-CD1 4.06Å; L14-I18 WeakPolarHBondContact O-CB 3.47Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.32Å; L14-I18 PolarHBondContact O-N 3.16Å
15S80.8Confident73Confident45 Ų45107.5 Ų107.532%0.31552%0.515SS..Hα-helixtrans-64-37.617676.10000112.5W11 L12 L13 I18 I19W11-S15 WeakPolarHBondContact O-CB 3.48Å; W11-S15 PolarHBondContact O-N 2.99Å; W11-S15 PolarHBondContact O-OG 3.46Å; L12-S15 PolarHBondContact O-N 3.29Å; L12-S15 PolarHBondContact O-OG 3.43Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3Å; S15-I18 PolarHBondContact O-N 3.34Å; S15-I19 WeakPolarHBondContact O-CB 3.34Å; S15-I19 WeakPolarHBondContact O-CD1 3.42Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.03Å; S15-I19 PolarHBondContact O-N 3.19Å
16Y80Confident71.4Confident130 Ų130105.8 Ų105.851%0.5152%0.517SS..Hα-helixtrans-65.8-44.4175.1178.8-98.9000111.6L12 L13 L14 I18 I19 Q20L12-Y16 PolarHBondContact O-N 3.08Å; L13-Y16 WeakPolarHBondContact O-CB 3.47Å; L13-Y16 PolarHBondContact O-N 2.78Å; L14-Y16 VanDerWaalsContact C-N 3.34Å; L14-Y16 PolarHBondContact O-N 2.92Å; Y16-I18 PolarHBondContact O-N 3.37Å; Y16-I19 PolarHBondContact O-N 2.85Å; Y16-Q20 HydrophobicContact CD1-CG 4.23Å; Y16-Q20 HydrophobicContact CE1-CG 3.86Å; Y16-Q20 HydrophobicContact CE2-CG 4.31Å; Y16-Q20 WeakPolarHBondContact O-CB 3.35Å; Y16-Q20 VanDerWaalsContact O-CG 3.32Å; Y16-Q20 WeakPolarHBondContact O-CG 3.34Å; Y16-Q20 PolarHBondContact O-N 3Å; Y16-Q20 PolarHBondContact OH-NE2 3.27Å
17F79.2Confident69.9Low141 Ų141103.9 Ų103.962%0.61851%0.514SS*.Hα-helixtrans-64.3-37.5174.6-80.8-67.1000112.8L13 L14 Q20 A21L13-F17 VanDerWaalsContact O-CD2 3.22Å; L13-F17 WeakPolarHBondContact O-CD2 3.35Å; L13-F17 PolarHBondContact O-N 2.86Å; L14-F17 PolarHBondContact O-N 2.84Å; F17-Q20 PolarHBondContact O-N 2.95Å; F17-A21 WeakPolarHBondContact O-CB 3.47Å; F17-A21 PolarHBondContact O-N 2.97Å
18I77.5Confident68.8Low83 Ų83102.9 Ų102.943%0.42652%0.515SS..Hα-helixtrans-67.2-42.2175.1-70.5165.5000111.1L14 S15 Y16 A21 Y22L14-I18 HydrophobicContact CD2-CD1 4.37Å; L14-I18 HydrophobicContact CG-CD1 4.06Å; L14-I18 WeakPolarHBondContact O-CB 3.47Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.32Å; L14-I18 PolarHBondContact O-N 3.16Å; S15-I18 PolarHBondContact O-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.37Å; I18-A21 PolarHBondContact O-N 2.97Å; I18-Y22 HydrophobicContact CG2-CD2 3.77Å; I18-Y22 HydrophobicContact CG2-CE2 3.91Å; I18-Y22 WeakPolarHBondContact O-CD2 3.4Å; I18-Y22 PolarHBondContact O-N 3.43Å
19I71.7Confident68.6Low95 Ų95108.7 Ų108.749%0.48754%0.535SS..Hα-helixtrans-64.9-43.2175.4-69.9164.5000110.7S15 Y16 Y22 C23S15-I19 WeakPolarHBondContact O-CB 3.34Å; S15-I19 WeakPolarHBondContact O-CD1 3.42Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.03Å; S15-I19 PolarHBondContact O-N 3.19Å; Y16-I19 PolarHBondContact O-N 2.85Å; I19-Y22 PolarHBondContact O-N 3.08Å; I19-C23 WeakPolarHBondContact O-CB 3.36Å; I19-C23 PolarHBondContact O-N 2.82Å; I19-C23 PolarHBondContact O-SG 2.97Å
20Q68.2Low68.7Low70 Ų70105.1 Ų105.133%0.32752%0.523SS..Hα-helixtrans-59.8-46.2173.5-75.7-71.30.200111.1Y16 F17 C23 I24Y16-Q20 HydrophobicContact CD1-CG 4.23Å; Y16-Q20 HydrophobicContact CE1-CG 3.86Å; Y16-Q20 HydrophobicContact CE2-CG 4.31Å; Y16-Q20 WeakPolarHBondContact O-CB 3.35Å; Y16-Q20 VanDerWaalsContact O-CG 3.32Å; Y16-Q20 WeakPolarHBondContact O-CG 3.34Å; Y16-Q20 PolarHBondContact O-N 3Å; Y16-Q20 PolarHBondContact OH-NE2 3.27Å; F17-Q20 PolarHBondContact O-N 2.95Å; Q20-C23 PolarHBondContact O-N 3.08Å; Q20-I24 HydrophobicContact CB-CD1 4.33Å; Q20-I24 WeakPolarHBondContact O-CB 3.5Å; Q20-I24 WeakPolarHBondContact O-CD1 3.42Å; Q20-I24 WeakPolarHBondContact O-CG1 3.38Å; Q20-I24 PolarHBondContact O-N 2.82Å
21A63.4Low69Low54 Ų54103.3 Ų103.345%0.44651%0.512SS..Hα-helixtrans-58.4-50.5176.100000112F17 I18 C23 I24 E25F17-A21 WeakPolarHBondContact O-CB 3.47Å; F17-A21 PolarHBondContact O-N 2.97Å; I18-A21 PolarHBondContact O-N 2.97Å; A21-C23 PolarHBondContact O-N 3.25Å; A21-I24 PolarHBondContact O-N 3.08Å; A21-E25 VanDerWaalsContact O-CB 3.26Å; A21-E25 WeakPolarHBondContact O-CB 3.38Å; A21-E25 PolarHBondContact O-N 2.67Å
22Y62Low69.4Low177 Ų17796.5 Ų96.569%0.69449%0.487SS*.Hα-helixtrans-65.7-21.8177.3-86.3-65.3000114.5I18 I19I18-Y22 HydrophobicContact CG2-CD2 3.77Å; I18-Y22 HydrophobicContact CG2-CE2 3.91Å; I18-Y22 WeakPolarHBondContact O-CD2 3.4Å; I18-Y22 PolarHBondContact O-N 3.43Å; I19-Y22 PolarHBondContact O-N 3.08Å
23C51.9Low69.8Low64 Ų6493.5 Ų93.543%0.43247%0.471SS..Hα-helixtrans-85.5-37.2172.4-76.30000112.9I19 Q20 A21 S26I19-C23 WeakPolarHBondContact O-CB 3.36Å; I19-C23 PolarHBondContact O-N 2.82Å; I19-C23 PolarHBondContact O-SG 2.97Å; Q20-C23 PolarHBondContact O-N 3.08Å; A21-C23 PolarHBondContact O-N 3.25Å; C23-S26 PolarHBondContact O-N 2.72Å; C23-S26 PolarHBondContact O-OG 3.4Å
24I51.2Low70.1Confident121 Ų12189 Ų8962%0.62145%0.448SS*.Hα-helixtrans-71.8-35.3176.7-68.2163.8000110.2Q20 A21 S26 N27Q20-I24 HydrophobicContact CB-CD1 4.33Å; Q20-I24 WeakPolarHBondContact O-CB 3.5Å; Q20-I24 WeakPolarHBondContact O-CD1 3.42Å; Q20-I24 WeakPolarHBondContact O-CG1 3.38Å; Q20-I24 PolarHBondContact O-N 2.82Å; A21-I24 PolarHBondContact O-N 3.08Å; I24-S26 CarbonylContact O-C 3.55Å; I24-S26 PolarHBondContact O-N 3.06Å; I24-S26 VanDerWaalsContact O-N 3.11Å; I24-N27 PolarHBondContact O-N 2.89Å
25E42.9Very low70.4Confident145 Ų14587 Ų8768%0.67844%0.438SS*.THydrogen-bonded Turntrans-75.612.8173.9-156.9167.8-13100113.3A21 N27A21-E25 VanDerWaalsContact O-CB 3.26Å; A21-E25 WeakPolarHBondContact O-CB 3.38Å; A21-E25 PolarHBondContact O-N 2.67Å; E25-N27 PolarHBondContact O-N 2.99Å
26S40.1Very low70.6Confident88 Ų8884.9 Ų84.962%0.61542%0.423SS*.SBendtrans-72.352.1145.978.90000110.4C23 I24 S28C23-S26 PolarHBondContact O-N 2.72Å; C23-S26 PolarHBondContact O-OG 3.4Å; I24-S26 CarbonylContact O-C 3.55Å; I24-S26 PolarHBondContact O-N 3.06Å; I24-S26 VanDerWaalsContact O-N 3.11Å; S26-S28 PolarHBondContact O-N 2.93Å
27N43Very low70.7Confident128 Ų12881 Ų8168%0.68441%0.409SS*.  trans-55.6133.8-175.1-132.3-20.5000108.6I24 E25 K29I24-N27 PolarHBondContact O-N 2.89Å; E25-N27 PolarHBondContact O-N 2.99Å; N27-K29 PolarHBondContact O-N 3.28Å
28S55.3Low70.6Confident71 Ų7175.2 Ų75.250%0.49738%0.384SS..  trans-58114.3-155.845.10000112.5S26 F30S26-S28 PolarHBondContact O-N 2.93Å; S28-F30 PolarHBondContact O-N 3.46Å
29K74.5Confident70.1Confident180 Ų18072.1 Ų72.178%0.78337%0.373SS*.  trans-67.39.3172.8-72.2-166.8174.4-170.70113.8N27 S94N27-K29 PolarHBondContact O-N 3.28Å; K29-S94 WeakPolarHBondContact O-CA 3.37Å; K29-S94 WeakPolarHBondContact O-CB 3.33Å
30F85.4Confident69.9Low77 Ų7768.1 Ų68.134%0.33835%0.353SS..  trans-72.3144.7174.6-57.9-51.8000110.2S28 L92 V93 L150S28-F30 PolarHBondContact O-N 3.46Å; F30-L92 HydrophobicContact CB-CB 3.88Å; F30-L92 HydrophobicContact CB-CD1 4.31Å; F30-L92 HydrophobicContact CD1-CB 3.74Å; F30-L92 HydrophobicContact CD2-CB 3.67Å; F30-L92 HydrophobicContact CD2-CD1 3.57Å; F30-L92 HydrophobicContact CD2-CG 4.28Å; F30-L92 HydrophobicContact CE1-CB 4.15Å; F30-L92 HydrophobicContact CE2-CB 4.11Å; F30-L92 HydrophobicContact CE2-CD1 4.15Å; F30-L92 HydrophobicContact CG-CB 3.48Å; F30-L92 VanDerWaalsContact CG-CB 3.48Å; F30-L92 HydrophobicContact CG-CD1 4.11Å; F30-L92 HydrophobicContact CG-CG 4.44Å; F30-L92 HydrophobicContact CZ-CB 4.33Å; F30-V93 CarbonylContact C-O 3.59Å; F30-V93 WeakPolarHBondContact CA-O 3.39Å; F30-L150 HydrophobicContact CB-CD1 3.79Å
31R89.7Confident69.6Low84 Ų8465.2 Ų65.232%0.31734%0.34SS..  trans-129.3-23.9-176.1-59.8-173.1175.2166.6-8.3113.2V93 S94 L150 Y153 C158R31-V93 PolarHBondContact N-O 2.86Å; R31-S94 WeakPolarHBondContact CD-O 3.38Å; R31-L150 PolarHBondContact O-N 3.45Å; R31-Y153 HydrophobicContact CB-CD1 4.12Å; R31-Y153 HydrophobicContact CB-CD2 4.44Å; R31-Y153 HydrophobicContact CB-CE1 4.3Å; R31-Y153 HydrophobicContact CB-CG 4.19Å; R31-Y153 HydrophobicContact CG-CD1 3.98Å; R31-Y153 HydrophobicContact CG-CE1 3.68Å; R31-Y153 HydrophobicContact CG-CE2 4.36Å; R31-Y153 HydrophobicContact CG-CG 4.45Å; R31-C158 HydrophobicContact CB-CB 4.28Å; R31-C158 WeakPolarHBondContact CB-O 3.48Å; R31-C158 WeakPolarHBondContact CD-O 3.41Å
32A90.8Very high69.4Low0 Ų064.6 Ų64.60%033%0.331CS..EExtended strand (participates in β ladder)trans-138.2151177.300000111.4L92 V93 V96 Y147 L148 C158A32-L92 WeakPolarHBondContact O-CA 3.42Å; A32-V93 HydrophobicContact CB-CG2 3.91Å; A32-V93 PolarHBondContact N-O 3.14Å; A32-V93 PolarHBondContact O-N 3.32Å; A32-V96 HydrophobicContact CB-CG2 3.92Å; A32-Y147 HydrophobicContact CB-CD2 4.28Å; A32-L148 CarbonylContact C-O 3.54Å; A32-L148 VanDerWaalsContact CA-O 3.22Å; A32-L148 WeakPolarHBondContact CA-O 3.2Å; A32-L148 WeakPolarHBondContact CB-O 3.47Å; A32-C158 HydrophobicContact CB-CB 4.27Å
33N91.4Very high69.1Low49 Ų4959.2 Ų59.226%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-99.6113165.8-178.931.9000108.3F91 L92 Y147 L148 L150N33-F91 PolarHBondContact OD1-O 3.25Å; N33-L92 HydrophobicContact CB-CD2 3.78Å; N33-Y147 CarbonylContact O-C 3.56Å; N33-Y147 VanDerWaalsContact O-CA 3.24Å; N33-Y147 WeakPolarHBondContact O-CA 3.47Å; N33-L148 PolarHBondContact N-O 3.45Å; N33-L148 PolarHBondContact O-N 3.44Å; N33-L150 HydrophobicContact CB-CD2 4.14Å
34V90.1Very high69Low0 Ų065.4 Ų65.40%033%0.334CS..EExtended strand (participates in β ladder)trans-80146.4172.6-178.60000108.7L36 S90 F91 V93 L124 T146V34-L36 HydrophobicContact CG1-CD2 4.3Å; V34-S90 CarbonylContact O-C 3.53Å; V34-S90 WeakPolarHBondContact O-CA 3.37Å; V34-S90 WeakPolarHBondContact O-CB 3.45Å; V34-F91 HydrophobicContact CB-CD1 4.37Å; V34-F91 HydrophobicContact CB-CD2 4.18Å; V34-F91 HydrophobicContact CB-CE1 4.1Å; V34-F91 HydrophobicContact CB-CE2 3.89Å; V34-F91 HydrophobicContact CB-CG 4.42Å; V34-F91 HydrophobicContact CB-CZ 3.86Å; V34-F91 HydrophobicContact CG1-CD1 4.49Å; V34-F91 HydrophobicContact CG1-CE1 3.81Å; V34-F91 HydrophobicContact CG1-CE2 4.14Å; V34-F91 HydrophobicContact CG1-CZ 3.61Å; V34-F91 HydrophobicContact CG2-CD2 4.43Å; V34-F91 HydrophobicContact CG2-CE2 3.99Å; V34-F91 HydrophobicContact CG2-CZ 4.29Å; V34-F91 PolarHBondContact N-O 3.38Å; V34-F91 PolarHBondContact O-N 2.97Å; V34-V93 HydrophobicContact CG2-CB 4.28Å; V34-V93 HydrophobicContact CG2-CG1 3.56Å; V34-V93 HydrophobicContact CG2-CG2 3.71Å; V34-L124 HydrophobicContact CB-CD2 4.35Å; V34-L124 HydrophobicContact CG1-CD2 3.69Å; V34-L124 HydrophobicContact CG2-CD1 3.58Å; V34-L124 HydrophobicContact CG2-CD2 3.7Å; V34-L124 HydrophobicContact CG2-CG 4.3Å; V34-T146 CarbonylContact C-O 3.59Å; V34-T146 WeakPolarHBondContact CA-O 3.43Å
35T88.4Confident68.7Low24 Ų2462.9 Ų62.915%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-135123.1168.3-650000110.1I89 S90 T146T35-I89 WeakPolarHBondContact CA-O 3.35Å; T35-S90 PolarHBondContact OG1-OG 3.41Å; T35-T146 PolarHBondContact N-O 3.38Å; T35-T146 PolarHBondContact O-N 2.83Å
36L85.1Confident69Low1 Ų162.5 Ų62.51%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-98.2121.2171.3-55.3178.1000108.5V34 S88 I89 F91 L102 F122 F143 V145V34-L36 HydrophobicContact CG1-CD2 4.3Å; L36-S88 CarbonylContact O-C 3.57Å; L36-S88 WeakPolarHBondContact O-CA 3.05Å; L36-I89 HydrophobicContact CB-CB 4.48Å; L36-I89 PolarHBondContact N-O 2.87Å; L36-I89 PolarHBondContact O-N 2.9Å; L36-F91 HydrophobicContact CD1-CE1 3.86Å; L36-F91 HydrophobicContact CG-CE1 3.98Å; L36-L102 HydrophobicContact CD1-CD1 4.19Å; L36-F122 HydrophobicContact CD2-CZ 4.23Å; L36-F143 HydrophobicContact CB-CD1 4.18Å; L36-F143 HydrophobicContact CD1-CD1 4.37Å; L36-V145 HydrophobicContact CD2-CB 4.31Å; L36-V145 HydrophobicContact CD2-CG1 4.05Å; L36-V145 HydrophobicContact CD2-CG2 3.82Å
37K82.2Confident69.6Low50 Ų5065.8 Ų65.822%0.21734%0.341CS..EExtended strand (participates in β ladder)trans-94118.2166.1-77.9-177.2169.8-174.40108.4P86 F143 H144 D418K37-P86 HydrophobicContact CB-CB 3.97Å; K37-P86 HydrophobicContact CD-CB 3.91Å; K37-P86 HydrophobicContact CD-CG 4.2Å; K37-P86 HydrophobicContact CG-CB 3.97Å; K37-F143 WeakPolarHBondContact O-CA 3.39Å; K37-H144 HydrophobicContact CB-CB 4.29Å; K37-H144 PolarHBondContact N-O 3.09Å; K37-H144 PolarHBondContact O-N 3.38Å; K37-D418 IonicContact NZ-OD2 2.97Å; K37-D418 PolarHBondContact NZ-OD2 2.87Å
38L78.6Confident70.4Confident18 Ų1863.6 Ų63.69%0.09433%0.334CS..EExtended strand (participates in β ladder)trans-83.4142.9-176.2176.666000112.8I57 R74 E87 V141 F143L38-I57 HydrophobicContact CD1-CD1 4.21Å; L38-I57 HydrophobicContact CD2-CD1 4.1Å; L38-R74 HydrophobicContact CD2-CB 3.88Å; L38-R74 HydrophobicContact CD2-CG 4.2Å; L38-E87 PolarHBondContact N-O 3.22Å; L38-V141 HydrophobicContact CD1-CG1 3.38Å; L38-F143 HydrophobicContact CD1-CD1 4.11Å; L38-F143 HydrophobicContact CD1-CE1 3.6Å; L38-F143 HydrophobicContact CD1-CZ 3.96Å
39G66.7Low70.7Confident19 Ų1964.5 Ų64.520%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-145.8145.3161.600000112R142G39-R142 PolarHBondContact N-O 3.43Å; G39-R142 PolarHBondContact O-N 3.03Å
40L66.4Low70.5Confident11 Ų1162 Ų626%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-108.1138176.2179.864.4000110.3Y53 T76 T78 V141L40-Y53 HydrophobicContact CD2-CD2 3.84Å; L40-Y53 HydrophobicContact CD2-CG 3.97Å; L40-T76 HydrophobicContact CB-CG2 3.78Å; L40-T76 HydrophobicContact CD2-CG2 3.74Å; L40-T76 HydrophobicContact CG-CG2 4.39Å; L40-T78 HydrophobicContact CD2-CG2 3.66Å; L40-T78 HydrophobicContact CG-CG2 4.17Å; L40-V141 HydrophobicContact CD1-CG2 3.79Å
41S63.3Low70Confident9 Ų959.7 Ų59.76%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-133.3119.4171.8-166.70000109.2D43 I140S41-D43 PolarHBondContact OG-OD1 3.06Å; S41-I140 PolarHBondContact N-O 3.36Å; S41-I140 CarbonylContact O-C 3.59Å; S41-I140 WeakPolarHBondContact O-CA 3.14Å; S41-I140 PolarHBondContact O-N 2.93Å
42T59.5Low69.4Low40 Ų4058.1 Ų58.125%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-87.3115.8158.439.60000107.8T78 L139T42-T78 HydrophobicContact CG2-CG2 3.49Å; T42-T78 VanDerWaalsContact CG2-CG2 3.49Å; T42-L139 HydrophobicContact CG2-CD2 3.7Å
43D54.1Low69Low64 Ų6459.5 Ų59.534%0.34233%0.326SS..SBendtrans-82.8163.4173.6-75.911000110S41 S45 I140 R142S41-D43 PolarHBondContact OG-OD1 3.06Å; D43-S45 PolarHBondContact O-N 3.09Å; D43-I140 HydrophobicContact CB-CD1 4.39Å; D43-I140 WeakPolarHBondContact OD2-CD1 3.5Å; D43-R142 IonicContact OD1-NH2 2.62Å; D43-R142 PolarHBondContact OD1-NH2 3.25Å; D43-R142 IonicContact OD2-NH2 3.81Å
44F50.2Low68.7Low195 Ų19560.4 Ų60.486%0.85533%0.327SS*.SBendtrans75.9-20-176.3-47.8-67.9000119.2
45S45.9Very low68.4Low68 Ų6860.4 Ų60.448%0.47633%0.328SS..  trans-84.9130.3167.1-170.40000111.6D43 E47D43-S45 PolarHBondContact O-N 3.09Å; S45-E47 PolarHBondContact OG-N 2.79Å; S45-E47 PolarHBondContact OG-O 3.19Å
46T49.2Very low68.3Low136 Ų13660.9 Ų60.983%0.83433%0.33SS*.SBendtrans-87.3-11.3164.449.70000112.9
47E52.2Low68.4Low158 Ų15860.9 Ų60.974%0.73833%0.33SS*.SBendtrans-97.1127.9177.5-62.7-177.5172.200108.8S45 D49S45-E47 PolarHBondContact OG-N 2.79Å; S45-E47 PolarHBondContact OG-O 3.19Å; E47-D49 PolarHBondContact O-N 3.23Å
48C58.6Low68.7Low82 Ų8258.9 Ų58.955%0.55432%0.322SS*.PPolyproline II helixtrans-80.7116.5178.4-35.60000108C80C48-C80 WeakPolarHBondContact CA-SG 3.02Å; C48-C80 HydrophobicContact CB-CB 4.07Å; C48-C80 WeakPolarHBondContact CB-SG 3.36Å; C48-C80 PolarHBondContact N-SG 2.74Å; C48-C80 VanDerWaalsContact N-SG 3.36Å; C48-C80 WeakPolarHBondContact SG-CB 3.36Å; C48-C80 CovalentContact SG-SG 2.04Å; C48-C80 PolarHBondContact SG-SG 3.34Å
49D62.9Low69.1Low90 Ų9058 Ų5848%0.48132%0.318SS..PPolyproline II helixtrans-97.3132.2176.3-174.212.9000109.6E47 T51 T78E47-D49 PolarHBondContact O-N 3.23Å; D49-T51 PolarHBondContact O-N 3.42Å; D49-T51 PolarHBondContact OD1-N 3.34Å; D49-T51 WeakPolarHBondContact OD2-CB 3.4Å; D49-T51 WeakPolarHBondContact OD2-CG2 3.48Å; D49-T51 PolarHBondContact OD2-OG1 2.86Å; D49-T78 PolarHBondContact O-OG1 3.07Å
50D70.6Confident69.8Low128 Ų12857.1 Ų57.168%0.68431%0.309SS*.  trans-71.57.4178.3-71.4-34.7000112.5V52D50-V52 PolarHBondContact O-N 2.87Å
51T74.8Confident70.2Confident27 Ų2758.2 Ų58.217%0.16631%0.314CS..  trans-57.6125.5-178.434.40000111.8D49 Y53 Q77 T78D49-T51 PolarHBondContact O-N 3.42Å; D49-T51 PolarHBondContact OD1-N 3.34Å; D49-T51 WeakPolarHBondContact OD2-CB 3.4Å; D49-T51 WeakPolarHBondContact OD2-CG2 3.48Å; D49-T51 PolarHBondContact OD2-OG1 2.86Å; T51-Y53 WeakPolarHBondContact O-CD2 3.07Å; T51-Q77 WeakPolarHBondContact O-CA 3.05Å; T51-T78 PolarHBondContact O-N 3.37Å; T51-T78 PolarHBondContact O-OG1 3.16Å; T51-T78 PolarHBondContact OG1-OG1 2.04Å; T51-T78 VanDerWaalsContact OG1-OG1 3.08Å
52V77.6Confident70.1Confident51 Ų5162.8 Ų62.831%0.30933%0.333SS..EExtended strand (participates in β ladder)trans-88.9131.8179.7-175.60000108.9D50 F75 Q77 V109D50-V52 PolarHBondContact O-N 2.87Å; V52-F75 HydrophobicContact CG1-CB 4.21Å; V52-F75 HydrophobicContact CG1-CD1 4.22Å; V52-Q77 HydrophobicContact CG2-CG 3.91Å; V52-V109 HydrophobicContact CB-CB 4.24Å; V52-V109 HydrophobicContact CB-CG2 4.06Å; V52-V109 HydrophobicContact CG1-CG2 3.82Å; V52-V109 WeakPolarHBondContact O-CB 3.38Å; V52-V109 WeakPolarHBondContact O-CG2 3.44Å; V52-V109 PolarHBondContact O-N 2.96Å
53Y80.7Confident69.9Low29 Ų2966.1 Ų66.111%0.11435%0.353CS..EExtended strand (participates in β ladder)trans-117.1132.2175.8-68-98.6000110.1L40 T51 F75 T76 T78 V106 Q107 K108 L139L40-Y53 HydrophobicContact CD2-CD2 3.84Å; L40-Y53 HydrophobicContact CD2-CG 3.97Å; T51-Y53 WeakPolarHBondContact O-CD2 3.07Å; Y53-F75 WeakPolarHBondContact O-CA 3.34Å; Y53-T76 PolarHBondContact N-O 2.95Å; Y53-T76 PolarHBondContact O-N 2.84Å; Y53-T78 HydrophobicContact CD2-CG2 3.72Å; Y53-T78 HydrophobicContact CE2-CG2 3.32Å; Y53-V106 HydrophobicContact CD1-CG1 3.61Å; Y53-V106 HydrophobicContact CG-CG1 4.18Å; Y53-Q107 CarbonylContact C-O 3.6Å; Y53-Q107 WeakPolarHBondContact CA-O 3.4Å; Y53-K108 HydrophobicContact CD1-CB 3.85Å; Y53-K108 HydrophobicContact CD1-CG 4.35Å; Y53-K108 HydrophobicContact CE1-CB 3.66Å; Y53-K108 HydrophobicContact CE1-CD 4.07Å; Y53-K108 HydrophobicContact CE1-CG 3.97Å; Y53-L139 HydrophobicContact CE1-CD2 4.48Å
54K85.2Confident70.3Confident68 Ų6865.6 Ų65.630%0.29635%0.35SS..EExtended strand (participates in β ladder)trans-85.2107.3167.8177-176.3161.8-157.90107.8V56 R74 F75 Q107 V109K54-V56 HydrophobicContact CG-CG2 4.33Å; K54-R74 CarbonylContact C-O 3.22Å; K54-R74 WeakPolarHBondContact CA-O 3.46Å; K54-F75 HydrophobicContact CB-CD1 3.93Å; K54-F75 HydrophobicContact CB-CE1 3.67Å; K54-F75 HydrophobicContact CB-CZ 4.41Å; K54-F75 HydrophobicContact CD-CE1 4.15Å; K54-F75 HydrophobicContact CD-CZ 4.22Å; K54-F75 HydrophobicContact CG-CD1 4.43Å; K54-F75 HydrophobicContact CG-CE1 3.91Å; K54-F75 HydrophobicContact CG-CZ 4.14Å; K54-Q107 HydrophobicContact CB-CB 4.37Å; K54-Q107 PolarHBondContact N-O 2.92Å; K54-Q107 VanDerWaalsContact NZ-OE1 3.08Å; K54-Q107 PolarHBondContact O-N 3.28Å; K54-V109 HydrophobicContact CB-CG2 4.45Å
55V84Confident71Confident1 Ų161.3 Ų61.31%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-98.3123.3177.1-174.50000107.8I57 S73 R74 T76 V104 V106 V141V55-I57 HydrophobicContact CG1-CD1 4.05Å; V55-I57 HydrophobicContact CG1-CG1 3.93Å; V55-S73 CarbonylContact O-C 3.3Å; V55-S73 WeakPolarHBondContact O-CA 3.36Å; V55-R74 PolarHBondContact N-O 2.89Å; V55-R74 PolarHBondContact O-N 2.84Å; V55-T76 HydrophobicContact CG2-CG2 3.76Å; V55-V104 HydrophobicContact CG1-CG1 3.63Å; V55-V106 HydrophobicContact CG1-CG2 4.31Å; V55-V106 HydrophobicContact CG2-CG1 4.39Å; V55-V106 HydrophobicContact CG2-CG2 4.29Å; V55-V141 HydrophobicContact CG1-CG2 4.5Å
56V87Confident72.4Confident33 Ų3360 Ų6020%0.232%0.323CS..EExtended strand (participates in β ladder)trans-110.1124.3177.4-174.10000109.1K54 P71 I72 V104 T105K54-V56 HydrophobicContact CG-CG2 4.33Å; V56-P71 HydrophobicContact CG1-CB 3.77Å; V56-I72 CarbonylContact C-O 3.6Å; V56-I72 WeakPolarHBondContact CA-O 3.34Å; V56-V104 WeakPolarHBondContact O-CA 3.4Å; V56-T105 PolarHBondContact N-O 2.84Å; V56-T105 PolarHBondContact O-N 2.87Å
57I87.6Confident73.8Confident1 Ų159.2 Ų59.21%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-121134.6-168.7-61.5155000109.5L38 V55 P71 I72 R74 I89 L102 V104 F143L38-I57 HydrophobicContact CD1-CD1 4.21Å; L38-I57 HydrophobicContact CD2-CD1 4.1Å; V55-I57 HydrophobicContact CG1-CD1 4.05Å; V55-I57 HydrophobicContact CG1-CG1 3.93Å; I57-P71 WeakPolarHBondContact O-CA 3.46Å; I57-I72 PolarHBondContact N-O 2.85Å; I57-I72 PolarHBondContact O-N 2.83Å; I57-R74 HydrophobicContact CD1-CG 4.46Å; I57-I89 HydrophobicContact CB-CD1 4.21Å; I57-I89 HydrophobicContact CD1-CD1 3.52Å; I57-I89 HydrophobicContact CG1-CD1 4.47Å; I57-I89 HydrophobicContact CG2-CD1 4.27Å; I57-L102 HydrophobicContact CG2-CD1 3.91Å; I57-V104 HydrophobicContact CG1-CG1 4.36Å; I57-V104 HydrophobicContact CG1-CG2 4.49Å; I57-F143 HydrophobicContact CD1-CE1 3.86Å; I57-F143 HydrophobicContact CD1-CZ 4.21Å; I57-F143 HydrophobicContact CG1-CE1 4.26Å; I57-F143 HydrophobicContact CG1-CZ 4.2Å; I57-F143 HydrophobicContact CG2-CE1 4.44Å
58C88.1Confident75Confident8 Ų853.3 Ų53.35%0.05428%0.283CS..EExtended strand (participates in β ladder)trans-142127-177.5152.30000108.5C66 K103C58-C66 HydrophobicContact CB-CB 4Å; C58-C66 WeakPolarHBondContact CB-SG 3.46Å; C58-C66 WeakPolarHBondContact SG-CA 3.38Å; C58-C66 WeakPolarHBondContact SG-CB 3.25Å; C58-C66 PolarHBondContact SG-N 2.8Å; C58-C66 CovalentContact SG-SG 2.04Å; C58-C66 PolarHBondContact SG-SG 3.28Å; C58-K103 HydrophobicContact CB-CB 4.33Å; C58-K103 PolarHBondContact N-O 3.45Å; C58-K103 PolarHBondContact O-N 2.93Å
59A86.4Confident76.1Confident0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-123.9135.2179.400000111.2C66 Q67 L68 T69 F91 I100 E101 L102A59-C66 CarbonylContact O-C 3.57Å; A59-C66 VanDerWaalsContact O-CA 3.23Å; A59-C66 WeakPolarHBondContact O-CA 3.43Å; A59-Q67 PolarHBondContact O-N 3.04Å; A59-L68 WeakPolarHBondContact O-CB 3.08Å; A59-L68 PolarHBondContact O-N 2.89Å; A59-T69 HydrophobicContact CB-CG2 3.86Å; A59-T69 PolarHBondContact N-O 3.44Å; A59-T69 PolarHBondContact O-N 2.78Å; A59-T69 VanDerWaalsContact O-N 3.15Å; A59-F91 HydrophobicContact CB-CE1 4.48Å; A59-F91 HydrophobicContact CB-CZ 4.2Å; A59-I100 HydrophobicContact CB-CG2 4.04Å; A59-E101 CarbonylContact C-O 3.59Å; A59-E101 WeakPolarHBondContact CA-O 3.09Å; A59-L102 HydrophobicContact CB-CD1 3.9Å
60G82.1Confident76.7Confident1 Ų147.5 Ų47.51%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-131.8153.7-178.500000112.7N64 I100 E101G60-N64 VanDerWaalsContact CA-O 3.25Å; G60-N64 WeakPolarHBondContact CA-O 3.44Å; G60-I100 WeakPolarHBondContact O-CA 3.33Å; G60-E101 PolarHBondContact N-O 2.61Å; G60-E101 PolarHBondContact O-N 2.91Å
61E73.8Confident77.2Confident34 Ų3446.2 Ų46.216%0.15925%0.253CS..EExtended strand (participates in β ladder)trans-80.9138.5159.3-169.8-172.9-129.100107.8T63 N64 L68 N98 K389E61-T63 PolarHBondContact O-N 2.92Å; E61-N64 PolarHBondContact O-N 2.96Å; E61-L68 HydrophobicContact CB-CD1 4.3Å; E61-L68 HydrophobicContact CB-CG 4.45Å; E61-N98 PolarHBondContact OE1-ND2 2.92Å; E61-K389 IonicContact OE2-NZ 2.68Å; E61-K389 PolarHBondContact OE2-NZ 2.74Å
62F61.7Low77.6Confident105 Ų10546.8 Ų46.846%0.46126%0.255SS..THydrogen-bonded Turntrans-25.8121.3-174.1-152.3-99.3000114.9P99 E121F62-P99 HydrophobicContact CD2-CG 4.06Å; F62-E121 WeakPolarHBondContact CE2-OE1 3.23Å; F62-E121 WeakPolarHBondContact CE2-OE2 3.48Å
63T56.3Low77.8Confident109 Ų10947.1 Ų47.167%0.66926%0.26SS*.THydrogen-bonded Turntrans77.8-13.3-173.271.60000118.9E61E61-T63 PolarHBondContact O-N 2.92Å
64N60.8Low77.7Confident54 Ų5449.1 Ų49.129%0.28927%0.267SS..  trans-113.486.9179.1-71.7-33.6000112.1G60 E61 C66 Q67G60-N64 VanDerWaalsContact CA-O 3.25Å; G60-N64 WeakPolarHBondContact CA-O 3.44Å; E61-N64 PolarHBondContact O-N 2.96Å; N64-C66 PolarHBondContact O-N 3.3Å; N64-Q67 HydrophobicContact CB-CB 3.86Å; N64-Q67 PolarHBondContact ND2-OE1 2.83Å; N64-Q67 WeakPolarHBondContact O-CB 3.48Å; N64-Q67 PolarHBondContact O-N 3.06Å
65Q65.2Low77.3Confident105 Ų10551.3 Ų51.349%0.49128%0.276SS..THydrogen-bonded Turntrans-51.4132.2177.1-67-177.221.300111.5Q67Q65-Q67 PolarHBondContact O-N 2.93Å
66C75.1Confident76.7Confident40 Ų4052.6 Ų52.627%0.2728%0.284SS..THydrogen-bonded Turntrans61.213.1178.2-34.10000116.6C58 A59 N64 L68C58-C66 HydrophobicContact CB-CB 4Å; C58-C66 WeakPolarHBondContact CB-SG 3.46Å; C58-C66 WeakPolarHBondContact SG-CA 3.38Å; C58-C66 WeakPolarHBondContact SG-CB 3.25Å; C58-C66 PolarHBondContact SG-N 2.8Å; C58-C66 CovalentContact SG-SG 2.04Å; C58-C66 PolarHBondContact SG-SG 3.28Å; A59-C66 CarbonylContact O-C 3.57Å; A59-C66 VanDerWaalsContact O-CA 3.23Å; A59-C66 WeakPolarHBondContact O-CA 3.43Å; N64-C66 PolarHBondContact O-N 3.3Å; C66-L68 VanDerWaalsContact C-N 3.34Å; C66-L68 PolarHBondContact O-N 3.29Å
67Q80.1Confident75.9Confident119 Ų11954.7 Ų54.756%0.55629%0.292SS*.SBendtrans-67.3-30.2-178.8-176.3176.114.700113.9A59 N64 Q65A59-Q67 PolarHBondContact O-N 3.04Å; N64-Q67 HydrophobicContact CB-CB 3.86Å; N64-Q67 PolarHBondContact ND2-OE1 2.83Å; N64-Q67 WeakPolarHBondContact O-CB 3.48Å; N64-Q67 PolarHBondContact O-N 3.06Å; Q65-Q67 PolarHBondContact O-N 2.93Å
68L77.4Confident74.8Confident34 Ų3454.9 Ų54.918%0.17829%0.293CS..SBendtrans-86.1-42.1-178.7-63.1174.3000111.2A59 E61 C66 F91 V93 I100A59-L68 WeakPolarHBondContact O-CB 3.08Å; A59-L68 PolarHBondContact O-N 2.89Å; E61-L68 HydrophobicContact CB-CD1 4.3Å; E61-L68 HydrophobicContact CB-CG 4.45Å; C66-L68 VanDerWaalsContact C-N 3.34Å; C66-L68 PolarHBondContact O-N 3.29Å; L68-F91 HydrophobicContact CB-CD2 3.82Å; L68-F91 HydrophobicContact CB-CE2 3.98Å; L68-F91 HydrophobicContact CD1-CE2 4.15Å; L68-V93 HydrophobicContact CD1-CG1 4.2Å; L68-V93 HydrophobicContact CD2-CG1 4.38Å; L68-I100 HydrophobicContact CD1-CD1 4.36Å; L68-I100 HydrophobicContact CD1-CG1 4.02Å; L68-I100 HydrophobicContact CD1-CG2 4.1Å
69T80.2Confident73.4Confident21 Ų2156 Ų5613%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-160154.8168.1-169.50000112.1A59 I72 I89 F91A59-T69 HydrophobicContact CB-CG2 3.86Å; A59-T69 PolarHBondContact N-O 3.44Å; A59-T69 PolarHBondContact O-N 2.78Å; A59-T69 VanDerWaalsContact O-N 3.15Å; T69-I72 WeakPolarHBondContact OG1-CD1 3.32Å; T69-I89 HydrophobicContact CG2-CG2 4.16Å; T69-F91 HydrophobicContact CG2-CB 4.11Å; T69-F91 HydrophobicContact CG2-CD1 3.47Å; T69-F91 VanDerWaalsContact CG2-CD1 3.47Å; T69-F91 HydrophobicContact CG2-CE1 3.94Å; T69-F91 HydrophobicContact CG2-CG 3.82Å
70G75.8Confident71.8Confident29 Ų2958.5 Ų58.530%0.29932%0.317SS..EExtended strand (participates in β ladder)trans105.4178.4169.800000116
71P81.9Confident70.1Confident101 Ų10161.7 Ų61.766%0.65634%0.343SS*.EExtended strand (participates in β ladder)cis-70.2123.50.228.7-34.4000112.6V56 I57V56-P71 HydrophobicContact CG1-CB 3.77Å; I57-P71 WeakPolarHBondContact O-CA 3.46Å
72I82.9Confident68.8Low40 Ų4064.4 Ų64.421%0.20535%0.354CS..EExtended strand (participates in β ladder)trans-104.9123.9173.9-76.6170.7000108.5V56 I57 T69 R74 I89V56-I72 CarbonylContact C-O 3.6Å; V56-I72 WeakPolarHBondContact CA-O 3.34Å; I57-I72 PolarHBondContact N-O 2.85Å; I57-I72 PolarHBondContact O-N 2.83Å; T69-I72 WeakPolarHBondContact OG1-CD1 3.32Å; I72-R74 HydrophobicContact CG2-CG 4.25Å; I72-I89 HydrophobicContact CB-CD1 4.49Å; I72-I89 HydrophobicContact CD1-CG2 3.76Å; I72-I89 HydrophobicContact CG2-CD1 3.86Å; I72-I89 HydrophobicContact CG2-CG1 4.31Å
73S82Confident68.1Low58 Ų5867.6 Ų67.641%0.40637%0.371SS..EExtended strand (participates in β ladder)trans-88.6139.9168.9550000112V55V55-S73 CarbonylContact O-C 3.3Å; V55-S73 WeakPolarHBondContact O-CA 3.36Å
74R79.1Confident67.5Low71 Ų7164.6 Ų64.627%0.26836%0.362SS..EExtended strand (participates in β ladder)trans-130.7151.2170.4-64.9-74.3172.7-106.117.2108.5L38 K54 V55 I57 I72 E87 I89L38-R74 HydrophobicContact CD2-CB 3.88Å; L38-R74 HydrophobicContact CD2-CG 4.2Å; K54-R74 CarbonylContact C-O 3.22Å; K54-R74 WeakPolarHBondContact CA-O 3.46Å; V55-R74 PolarHBondContact N-O 2.89Å; V55-R74 PolarHBondContact O-N 2.84Å; I57-R74 HydrophobicContact CD1-CG 4.46Å; I72-R74 HydrophobicContact CG2-CG 4.25Å; R74-E87 WeakPolarHBondContact CD-OE2 3.19Å; R74-I89 HydrophobicContact CG-CD1 4.16Å
75F75.6Confident67Low113 Ų11367.4 Ų67.450%0.49638%0.383SS..EExtended strand (participates in β ladder)trans-117.1125.5175.5-69.5-88.3000108.3V52 Y53 K54 V109V52-F75 HydrophobicContact CG1-CB 4.21Å; V52-F75 HydrophobicContact CG1-CD1 4.22Å; Y53-F75 WeakPolarHBondContact O-CA 3.34Å; K54-F75 HydrophobicContact CB-CD1 3.93Å; K54-F75 HydrophobicContact CB-CE1 3.67Å; K54-F75 HydrophobicContact CB-CZ 4.41Å; K54-F75 HydrophobicContact CD-CE1 4.15Å; K54-F75 HydrophobicContact CD-CZ 4.22Å; K54-F75 HydrophobicContact CG-CD1 4.43Å; K54-F75 HydrophobicContact CG-CE1 3.91Å; K54-F75 HydrophobicContact CG-CZ 4.14Å; F75-V109 HydrophobicContact CD1-CG2 3.95Å; F75-V109 HydrophobicContact CE1-CG2 3.99Å
76T71.6Confident66.7Low28 Ų2865.7 Ų65.717%0.17238%0.381CS..EExtended strand (participates in β ladder)trans-142.6152.9-173.3-165.80000110.7L40 Y53 V55L40-T76 HydrophobicContact CB-CG2 3.78Å; L40-T76 HydrophobicContact CD2-CG2 3.74Å; L40-T76 HydrophobicContact CG-CG2 4.39Å; Y53-T76 PolarHBondContact N-O 2.95Å; Y53-T76 PolarHBondContact O-N 2.84Å; V55-T76 HydrophobicContact CG2-CG2 3.76Å
77Q70.3Confident66.2Low78 Ų7868 Ų6836%0.36439%0.388SS..EExtended strand (participates in β ladder)trans-102.1150.1-179.4-72.2173-51.200110.9T51 V52 T79T51-Q77 WeakPolarHBondContact O-CA 3.05Å; V52-Q77 HydrophobicContact CG2-CG 3.91Å; Q77-T79 PolarHBondContact O-N 2.04Å
78T65.3Low66.1Low4 Ų465.6 Ų65.63%0.02538%0.383CS..  trans-75.765.3174.832.80000113L40 T42 D49 T51 Y53L40-T78 HydrophobicContact CD2-CG2 3.66Å; L40-T78 HydrophobicContact CG-CG2 4.17Å; T42-T78 HydrophobicContact CG2-CG2 3.49Å; T42-T78 VanDerWaalsContact CG2-CG2 3.49Å; D49-T78 PolarHBondContact O-OG1 3.07Å; T51-T78 PolarHBondContact O-N 3.37Å; T51-T78 PolarHBondContact O-OG1 3.16Å; T51-T78 PolarHBondContact OG1-OG1 2.04Å; T51-T78 VanDerWaalsContact OG1-OG1 3.08Å; Y53-T78 HydrophobicContact CD2-CG2 3.72Å; Y53-T78 HydrophobicContact CE2-CG2 3.32Å
79T58.4Low66.4Low33 Ų3364.1 Ų64.120%0.20238%0.376CS..  trans-62.9136.5173.162.70000110.9Q77 A81 Q83Q77-T79 PolarHBondContact O-N 2.04Å; T79-A81 PolarHBondContact O-N 3.44Å; T79-A81 VanDerWaalsContact O-N 3.07Å; T79-Q83 HydrophobicContact CG2-CB 4.11Å; T79-Q83 PolarHBondContact OG1-N 3.36Å
80C52.8Low66.8Low52 Ų5266 Ų6635%0.35139%0.39SS..SBendtrans-55.8116.8166.9-70.70000110.8C48 F82C48-C80 WeakPolarHBondContact CA-SG 3.02Å; C48-C80 HydrophobicContact CB-CB 4.07Å; C48-C80 WeakPolarHBondContact CB-SG 3.36Å; C48-C80 PolarHBondContact N-SG 2.74Å; C48-C80 VanDerWaalsContact N-SG 3.36Å; C48-C80 WeakPolarHBondContact SG-CB 3.36Å; C48-C80 CovalentContact SG-SG 2.04Å; C48-C80 PolarHBondContact SG-SG 3.34Å; C80-F82 PolarHBondContact O-N 3Å
81A45.9Very low67.4Low67 Ų6765.2 Ų65.255%0.55438%0.378SS*.SBendtrans61.4-2616600000119.9T79T79-A81 PolarHBondContact O-N 3.44Å; T79-A81 VanDerWaalsContact O-N 3.07Å
82F47.4Very low67.8Low92 Ų9263.5 Ų63.540%0.40436%0.363SS..SBendtrans167.1113.8165.4-109.1-145.4000109.7C80 W414C80-F82 PolarHBondContact O-N 3Å; F82-W414 HydrophobicContact CB-CH2 3.66Å; F82-W414 HydrophobicContact CB-CZ2 4.2Å; F82-W414 HydrophobicContact CB-CZ3 4.18Å; F82-W414 AromaticContact CD1-CD2 3.97Å; F82-W414 HydrophobicContact CD1-CD2 3.97Å; F82-W414 AromaticContact CD1-CE2 3.98Å; F82-W414 AromaticContact CD1-CE3 3.76Å; F82-W414 HydrophobicContact CD1-CE3 3.76Å; F82-W414 AromaticContact CD1-CH2 3.62Å; F82-W414 HydrophobicContact CD1-CH2 3.62Å; F82-W414 AromaticContact CD1-CZ2 3.83Å; F82-W414 HydrophobicContact CD1-CZ2 3.83Å; F82-W414 AromaticContact CD1-CZ3 3.58Å; F82-W414 HydrophobicContact CD1-CZ3 3.58Å; F82-W414 HydrophobicContact CD2-CH2 4.31Å; F82-W414 AromaticContact CD2-CZ2 3.98Å; F82-W414 HydrophobicContact CD2-CZ2 3.98Å; F82-W414 AromaticContact CE1-CD2 3.66Å; F82-W414 HydrophobicContact CE1-CD2 3.66Å; F82-W414 AromaticContact CE1-CE2 3.79Å; F82-W414 AromaticContact CE1-CE3 3.85Å; F82-W414 HydrophobicContact CE1-CE3 3.85Å; F82-W414 HydrophobicContact CE1-CG 4.12Å; F82-W414 HydrophobicContact CE1-CH2 4.28Å; F82-W414 HydrophobicContact CE1-CZ2 4.1Å; F82-W414 HydrophobicContact CE1-CZ3 4.15Å; F82-W414 HydrophobicContact CE2-CZ2 4.23Å; F82-W414 AromaticContact CG-CH2 3.63Å; F82-W414 HydrophobicContact CG-CH2 3.63Å; F82-W414 AromaticContact CG-CZ2 3.76Å; F82-W414 HydrophobicContact CG-CZ2 3.76Å; F82-W414 HydrophobicContact CG-CZ3 4.07Å; F82-W414 HydrophobicContact CZ-CD2 4.14Å; F82-W414 AromaticContact CZ-CE2 3.9Å; F82-W414 HydrophobicContact CZ-CG 4.38Å; F82-W414 HydrophobicContact CZ-CZ2 4.28Å; F82-W414 AromaticContact CZ-NE1 3.97Å
83Q45.6Very low68.1Low172 Ų17261.8 Ų61.880%0.80436%0.355SS*.  trans-161.337.2160.4-128.2140.8110.300117.7T79T79-Q83 HydrophobicContact CG2-CB 4.11Å; T79-Q83 PolarHBondContact OG1-N 3.36Å
84G45Very low68.2Low46 Ų4660.9 Ų60.947%0.47435%0.348SS..SBendtrans-100.3152.7167.900000112.6
85P50.1Low68.6Low113 Ų11358.2 Ų58.273%0.73434%0.34SS*.  trans-61.1131.7162.728.2-32.8000108.4E87P85-E87 VanDerWaalsContact C-N 3.34Å; P85-E87 PolarHBondContact O-N 3.39Å
86P58.1Low69.1Low69 Ų6952.9 Ų52.945%0.44832%0.317SS..  trans-74.586.5-174.329.2-34.8000110.6K37 S88K37-P86 HydrophobicContact CB-CB 3.97Å; K37-P86 HydrophobicContact CD-CB 3.91Å; K37-P86 HydrophobicContact CD-CG 4.2Å; K37-P86 HydrophobicContact CG-CB 3.97Å; P86-S88 PolarHBondContact O-N 3.05Å; P86-S88 VanDerWaalsContact O-N 3.1Å
87E64.9Low69.8Low89 Ų8956.2 Ų56.242%0.41633%0.331SS..  trans-57.7116.6176.8-66.7-159.1124.400109.7L38 R74 P85L38-E87 PolarHBondContact N-O 3.22Å; R74-E87 WeakPolarHBondContact CD-OE2 3.19Å; P85-E87 VanDerWaalsContact C-N 3.34Å; P85-E87 PolarHBondContact O-N 3.39Å
88S77.8Confident70.5Confident67 Ų6755.4 Ų55.447%0.46933%0.329SS..EExtended strand (participates in β ladder)trans-83.2140.6-178.247.80000111.8L36 P86L36-S88 CarbonylContact O-C 3.57Å; L36-S88 WeakPolarHBondContact O-CA 3.05Å; P86-S88 PolarHBondContact O-N 3.05Å; P86-S88 VanDerWaalsContact O-N 3.1Å
89I83.8Confident71.5Confident4 Ų457 Ų572%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-120.5108.6165.7-61.3175.5000106.7T35 L36 I57 T69 I72 R74T35-I89 WeakPolarHBondContact CA-O 3.35Å; L36-I89 HydrophobicContact CB-CB 4.48Å; L36-I89 PolarHBondContact N-O 2.87Å; L36-I89 PolarHBondContact O-N 2.9Å; I57-I89 HydrophobicContact CB-CD1 4.21Å; I57-I89 HydrophobicContact CD1-CD1 3.52Å; I57-I89 HydrophobicContact CG1-CD1 4.47Å; I57-I89 HydrophobicContact CG2-CD1 4.27Å; T69-I89 HydrophobicContact CG2-CG2 4.16Å; I72-I89 HydrophobicContact CB-CD1 4.49Å; I72-I89 HydrophobicContact CD1-CG2 3.76Å; I72-I89 HydrophobicContact CG2-CD1 3.86Å; I72-I89 HydrophobicContact CG2-CG1 4.31Å; R74-I89 HydrophobicContact CG-CD1 4.16Å
90S87.6Confident72.9Confident61 Ų6155.6 Ų55.643%0.42733%0.331SS..EExtended strand (participates in β ladder)trans-103.7142.2178.1-54.50000111.6V34 T35V34-S90 CarbonylContact O-C 3.53Å; V34-S90 WeakPolarHBondContact O-CA 3.37Å; V34-S90 WeakPolarHBondContact O-CB 3.45Å; T35-S90 PolarHBondContact OG1-OG 3.41Å
91F89.3Confident74.6Confident11 Ų1154.4 Ų54.45%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-156.9156.6178.262-90.7000112N33 V34 L36 A59 L68 T69 V93 I100N33-F91 PolarHBondContact OD1-O 3.25Å; V34-F91 HydrophobicContact CB-CD1 4.37Å; V34-F91 HydrophobicContact CB-CD2 4.18Å; V34-F91 HydrophobicContact CB-CE1 4.1Å; V34-F91 HydrophobicContact CB-CE2 3.89Å; V34-F91 HydrophobicContact CB-CG 4.42Å; V34-F91 HydrophobicContact CB-CZ 3.86Å; V34-F91 HydrophobicContact CG1-CD1 4.49Å; V34-F91 HydrophobicContact CG1-CE1 3.81Å; V34-F91 HydrophobicContact CG1-CE2 4.14Å; V34-F91 HydrophobicContact CG1-CZ 3.61Å; V34-F91 HydrophobicContact CG2-CD2 4.43Å; V34-F91 HydrophobicContact CG2-CE2 3.99Å; V34-F91 HydrophobicContact CG2-CZ 4.29Å; V34-F91 PolarHBondContact N-O 3.38Å; V34-F91 PolarHBondContact O-N 2.97Å; L36-F91 HydrophobicContact CD1-CE1 3.86Å; L36-F91 HydrophobicContact CG-CE1 3.98Å; A59-F91 HydrophobicContact CB-CE1 4.48Å; A59-F91 HydrophobicContact CB-CZ 4.2Å; L68-F91 HydrophobicContact CB-CD2 3.82Å; L68-F91 HydrophobicContact CB-CE2 3.98Å; L68-F91 HydrophobicContact CD1-CE2 4.15Å; T69-F91 HydrophobicContact CG2-CB 4.11Å; T69-F91 HydrophobicContact CG2-CD1 3.47Å; T69-F91 VanDerWaalsContact CG2-CD1 3.47Å; T69-F91 HydrophobicContact CG2-CE1 3.94Å; T69-F91 HydrophobicContact CG2-CG 3.82Å; F91-V93 HydrophobicContact CD2-CG1 3.89Å; F91-V93 HydrophobicContact CE2-CG1 3.66Å; F91-I100 HydrophobicContact CE2-CD1 4.16Å; F91-I100 HydrophobicContact CZ-CD1 4.31Å
92L89.8Confident76.6Confident65 Ų6551.2 Ų51.234%0.3429%0.293SS..EExtended strand (participates in β ladder)trans-94.1140.9-174.4-57.4-174.7000112.1F30 A32 N33 L150F30-L92 HydrophobicContact CB-CB 3.88Å; F30-L92 HydrophobicContact CB-CD1 4.31Å; F30-L92 HydrophobicContact CD1-CB 3.74Å; F30-L92 HydrophobicContact CD2-CB 3.67Å; F30-L92 HydrophobicContact CD2-CD1 3.57Å; F30-L92 HydrophobicContact CD2-CG 4.28Å; F30-L92 HydrophobicContact CE1-CB 4.15Å; F30-L92 HydrophobicContact CE2-CB 4.11Å; F30-L92 HydrophobicContact CE2-CD1 4.15Å; F30-L92 HydrophobicContact CG-CB 3.48Å; F30-L92 VanDerWaalsContact CG-CB 3.48Å; F30-L92 HydrophobicContact CG-CD1 4.11Å; F30-L92 HydrophobicContact CG-CG 4.44Å; F30-L92 HydrophobicContact CZ-CB 4.33Å; A32-L92 WeakPolarHBondContact O-CA 3.42Å; N33-L92 HydrophobicContact CB-CD2 3.78Å; L92-L150 HydrophobicContact CD2-CD1 4.41Å; L92-L150 HydrophobicContact CD2-CD2 4.09Å
93V88.7Confident78.5Confident4 Ų449.4 Ų49.42%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-128.2146.1177.9-61.40000112F30 R31 A32 V34 L68 F91 I100 L124F30-V93 CarbonylContact C-O 3.59Å; F30-V93 WeakPolarHBondContact CA-O 3.39Å; R31-V93 PolarHBondContact N-O 2.86Å; A32-V93 HydrophobicContact CB-CG2 3.91Å; A32-V93 PolarHBondContact N-O 3.14Å; A32-V93 PolarHBondContact O-N 3.32Å; V34-V93 HydrophobicContact CG2-CB 4.28Å; V34-V93 HydrophobicContact CG2-CG1 3.56Å; V34-V93 HydrophobicContact CG2-CG2 3.71Å; L68-V93 HydrophobicContact CD1-CG1 4.2Å; L68-V93 HydrophobicContact CD2-CG1 4.38Å; F91-V93 HydrophobicContact CD2-CG1 3.89Å; F91-V93 HydrophobicContact CE2-CG1 3.66Å; V93-I100 HydrophobicContact CG1-CD1 4.15Å; V93-L124 HydrophobicContact CG2-CD1 3.91Å
94S86Confident80.6Confident39 Ų3941.2 Ų41.227%0.27325%0.247SC..SBendtrans-86.3-15.9179.744.20000114.3K29 R31K29-S94 WeakPolarHBondContact O-CA 3.37Å; K29-S94 WeakPolarHBondContact O-CB 3.33Å; R31-S94 WeakPolarHBondContact CD-O 3.38Å
95S86.3Confident82.6Confident15 Ų1540.6 Ų40.611%0.10523%0.234CC..  trans-148.7142.6177.4178.90000109E97 N98S95-E97 PolarHBondContact OG-N 3.47Å; S95-E97 VanDerWaalsContact OG-N 3.15Å; S95-N98 WeakPolarHBondContact CB-OD1 3.4Å; S95-N98 PolarHBondContact OG-N 3.32Å; S95-N98 PolarHBondContact OG-OD1 3.45Å
96V86.8Confident84.4Confident1 Ų135.3 Ų35.31%0.00620%0.2CC..SBendtrans-87.8-19171.5-178.70000110.8A32 L124 A125 Y147 L157 C158A32-V96 HydrophobicContact CB-CG2 3.92Å; V96-L124 HydrophobicContact CG1-CB 3.71Å; V96-L124 HydrophobicContact CG1-CD1 4.41Å; V96-A125 HydrophobicContact CG1-CB 4.29Å; V96-Y147 HydrophobicContact CG1-CD1 4.41Å; V96-Y147 HydrophobicContact CG1-CD2 4.1Å; V96-Y147 HydrophobicContact CG1-CE1 4.02Å; V96-Y147 HydrophobicContact CG1-CE2 3.65Å; V96-Y147 HydrophobicContact CG1-CG 4.47Å; V96-Y147 HydrophobicContact CG2-CD2 4.04Å; V96-Y147 HydrophobicContact CG2-CE2 4.08Å; V96-L157 HydrophobicContact CG1-CD2 4.26Å; V96-L157 VanDerWaalsContact CG2-O 3.28Å; V96-L157 WeakPolarHBondContact CG2-O 3.3Å; V96-C158 HydrophobicContact CG2-CB 4.09Å
97E86.4Confident85.7Confident99 Ų9934 Ų3446%0.46319%0.188SC..SBendtrans-86.5-22.3-176.7-59.7169.6104.200113S95 L157S95-E97 PolarHBondContact OG-N 3.47Å; S95-E97 VanDerWaalsContact OG-N 3.15Å; E97-L157 HydrophobicContact CG-CB 4.4Å; E97-L157 HydrophobicContact CG-CD1 3.88Å; E97-L157 HydrophobicContact CG-CD2 4Å; E97-L157 HydrophobicContact CG-CG 4.3Å
98N84.7Confident86.7Confident60 Ų6032.7 Ų32.732%0.32118%0.181SC..SBendtrans-76.1136.1-175.6-66.112.5000110.2E61 S95E61-N98 PolarHBondContact OE1-ND2 2.92Å; S95-N98 WeakPolarHBondContact CB-OD1 3.4Å; S95-N98 PolarHBondContact OG-N 3.32Å; S95-N98 PolarHBondContact OG-OD1 3.45Å
99P86.7Confident86.9Confident37 Ų3733.4 Ų33.424%0.2418%0.182CC..  trans-66.7137.7176.928.4-34.4000111F62 F122 R123F62-P99 HydrophobicContact CD2-CG 4.06Å; P99-F122 WeakPolarHBondContact CA-O 3.45Å; P99-R123 HydrophobicContact CB-CG 4.43Å
100I87.4Confident86.8Confident4 Ų437.2 Ų37.22%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-104.2121.2176.1-61.5173.8000107.9A59 G60 L68 F91 V93 E121 F122 L124A59-I100 HydrophobicContact CB-CG2 4.04Å; G60-I100 WeakPolarHBondContact O-CA 3.33Å; L68-I100 HydrophobicContact CD1-CD1 4.36Å; L68-I100 HydrophobicContact CD1-CG1 4.02Å; L68-I100 HydrophobicContact CD1-CG2 4.1Å; F91-I100 HydrophobicContact CE2-CD1 4.16Å; F91-I100 HydrophobicContact CZ-CD1 4.31Å; V93-I100 HydrophobicContact CG1-CD1 4.15Å; I100-E121 WeakPolarHBondContact O-CA 3.32Å; I100-F122 HydrophobicContact CB-CD1 4.06Å; I100-F122 HydrophobicContact CB-CE1 3.61Å; I100-F122 HydrophobicContact CB-CE2 4.36Å; I100-F122 HydrophobicContact CB-CZ 3.78Å; I100-F122 HydrophobicContact CD1-CE2 4.1Å; I100-F122 HydrophobicContact CD1-CZ 3.9Å; I100-F122 HydrophobicContact CG1-CZ 4.42Å; I100-F122 HydrophobicContact CG2-CD1 4.29Å; I100-F122 HydrophobicContact CG2-CE1 3.45Å; I100-F122 VanDerWaalsContact CG2-CE1 3.45Å; I100-F122 HydrophobicContact CG2-CZ 3.72Å; I100-F122 PolarHBondContact N-O 2.87Å; I100-F122 WeakPolarHBondContact O-CD1 3.22Å; I100-F122 PolarHBondContact O-N 3.35Å; I100-L124 HydrophobicContact CD1-CD1 3.78Å; I100-L124 HydrophobicContact CD1-CD2 4.19Å; I100-L124 HydrophobicContact CD1-CG 3.89Å
101E88.1Confident86.6Confident27 Ų2738.3 Ų38.313%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-79.3119.5170.2-175.6-171.5-176.900108.5A59 G60 N119A59-E101 CarbonylContact C-O 3.59Å; A59-E101 WeakPolarHBondContact CA-O 3.09Å; G60-E101 PolarHBondContact N-O 2.61Å; G60-E101 PolarHBondContact O-N 2.91Å; E101-N119 PolarHBondContact OE1-ND2 3.03Å
102L88Confident86.2Confident0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-105121.8172.7-16365.4000110.2L36 I57 A59 V104 T120 F122 L130 V132 F143L36-L102 HydrophobicContact CD1-CD1 4.19Å; I57-L102 HydrophobicContact CG2-CD1 3.91Å; A59-L102 HydrophobicContact CB-CD1 3.9Å; L102-V104 HydrophobicContact CD2-CG2 4.32Å; L102-V104 HydrophobicContact CG-CG2 4.08Å; L102-T120 PolarHBondContact N-O 3.26Å; L102-T120 PolarHBondContact O-N 3.3Å; L102-T120 VanDerWaalsContact O-N 3.08Å; L102-F122 HydrophobicContact CB-CD1 4.32Å; L102-F122 HydrophobicContact CB-CE1 4.08Å; L102-F122 HydrophobicContact CD2-CE1 4.49Å; L102-L130 HydrophobicContact CB-CD2 4.48Å; L102-L130 HydrophobicContact CD2-CD2 3.59Å; L102-V132 HydrophobicContact CD2-CG2 4.05Å; L102-F143 HydrophobicContact CD2-CD2 3.83Å; L102-F143 HydrophobicContact CD2-CE1 4.37Å; L102-F143 HydrophobicContact CD2-CE2 3.62Å; L102-F143 HydrophobicContact CD2-CG 4.3Å; L102-F143 HydrophobicContact CD2-CZ 3.92Å
103K88.3Confident86Confident54 Ų5450 Ų5024%0.23527%0.274CS..EExtended strand (participates in β ladder)trans-114.1124.1175.5-170-179-172.6-1770108.8C58C58-K103 HydrophobicContact CB-CB 4.33Å; C58-K103 PolarHBondContact N-O 3.45Å; C58-K103 PolarHBondContact O-N 2.93Å
104V87.9Confident85.8Confident0 Ų054.7 Ų54.70%030%0.297CS..EExtended strand (participates in β ladder)trans-128134.2-177.6-1730000109.3V55 V56 I57 L102 V106 L117 V132 V141 F143V55-V104 HydrophobicContact CG1-CG1 3.63Å; V56-V104 WeakPolarHBondContact O-CA 3.4Å; I57-V104 HydrophobicContact CG1-CG1 4.36Å; I57-V104 HydrophobicContact CG1-CG2 4.49Å; L102-V104 HydrophobicContact CD2-CG2 4.32Å; L102-V104 HydrophobicContact CG-CG2 4.08Å; V104-V106 HydrophobicContact CG1-CG2 4.35Å; V104-L117 HydrophobicContact CB-CB 4.42Å; V104-L117 HydrophobicContact CB-CD1 4.05Å; V104-L117 HydrophobicContact CB-CG 4.4Å; V104-L117 HydrophobicContact CG1-CD1 3.81Å; V104-L117 HydrophobicContact CG1-CG 4.41Å; V104-L117 WeakPolarHBondContact O-CB 3.33Å; V104-L117 PolarHBondContact O-N 2.89Å; V104-V132 HydrophobicContact CB-CG1 4.09Å; V104-V132 HydrophobicContact CG2-CB 4.39Å; V104-V132 HydrophobicContact CG2-CG1 4Å; V104-V132 HydrophobicContact CG2-CG2 4.33Å; V104-V141 HydrophobicContact CG1-CG2 4.36Å; V104-F143 HydrophobicContact CG2-CE2 4Å; V104-F143 HydrophobicContact CG2-CZ 3.79Å
105T88.6Confident85.7Confident34 Ų3455.8 Ų55.821%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-123147.6166.568.40000109.9V56 I114 Q115 Q116V56-T105 PolarHBondContact N-O 2.84Å; V56-T105 PolarHBondContact O-N 2.87Å; T105-I114 HydrophobicContact CG2-CG2 4.44Å; T105-Q115 WeakPolarHBondContact CA-O 3.49Å; T105-Q116 HydrophobicContact CG2-CB 4.15Å; T105-Q116 HydrophobicContact CG2-CG 4.24Å
106V86.1Confident85.7Confident2 Ų260 Ų601%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-127.3130.7-177.1-175.70000109Y53 V55 V104 Q115 L117 L139 V141Y53-V106 HydrophobicContact CD1-CG1 3.61Å; Y53-V106 HydrophobicContact CG-CG1 4.18Å; V55-V106 HydrophobicContact CG1-CG2 4.31Å; V55-V106 HydrophobicContact CG2-CG1 4.39Å; V55-V106 HydrophobicContact CG2-CG2 4.29Å; V104-V106 HydrophobicContact CG1-CG2 4.35Å; V106-Q115 PolarHBondContact N-O 3.37Å; V106-Q115 PolarHBondContact O-N 3.04Å; V106-L117 HydrophobicContact CG2-CD1 3.78Å; V106-L117 HydrophobicContact CG2-CD2 4.15Å; V106-L117 HydrophobicContact CG2-CG 4.03Å; V106-L139 HydrophobicContact CB-CD1 3.93Å; V106-L139 HydrophobicContact CG1-CD1 3.78Å; V106-L139 HydrophobicContact CG2-CD1 4.47Å; V106-V141 HydrophobicContact CG2-CG2 3.97Å
107Q86.6Confident85.7Confident41 Ų4160 Ų6019%0.19232%0.316CS..EExtended strand (participates in β ladder)trans-126.7123.9177.1178.7-177.514.300108.3Y53 K54 E111 I114Y53-Q107 CarbonylContact C-O 3.6Å; Y53-Q107 WeakPolarHBondContact CA-O 3.4Å; K54-Q107 HydrophobicContact CB-CB 4.37Å; K54-Q107 PolarHBondContact N-O 2.92Å; K54-Q107 VanDerWaalsContact NZ-OE1 3.08Å; K54-Q107 PolarHBondContact O-N 3.28Å; Q107-E111 PolarHBondContact NE2-O 3.21Å; Q107-I114 HydrophobicContact CB-CG1 4.27Å; Q107-I114 HydrophobicContact CG-CG1 4.26Å
108K85Confident85.7Confident62 Ų6261 Ų6127%0.2732%0.316SS..EExtended strand (participates in β ladder)trans-71.7132.8173.3-176.7167.9156.4-149.60109.5Y53 G110 E111Y53-K108 HydrophobicContact CD1-CB 3.85Å; Y53-K108 HydrophobicContact CD1-CG 4.35Å; Y53-K108 HydrophobicContact CE1-CB 3.66Å; Y53-K108 HydrophobicContact CE1-CD 4.07Å; Y53-K108 HydrophobicContact CE1-CG 3.97Å; K108-G110 PolarHBondContact O-N 3.15Å; K108-E111 HydrophobicContact CB-CB 4.35Å; K108-E111 WeakPolarHBondContact CB-OE2 3.32Å; K108-E111 WeakPolarHBondContact CD-OE1 3.38Å; K108-E111 WeakPolarHBondContact CD-OE2 3.43Å; K108-E111 WeakPolarHBondContact CE-OE1 3.32Å; K108-E111 IonicContact NZ-OE1 2.74Å; K108-E111 PolarHBondContact NZ-OE1 2.76Å; K108-E111 IonicContact NZ-OE2 3.72Å; K108-E111 PolarHBondContact O-N 2.91Å
109V82.5Confident85.7Confident82 Ų8261.6 Ų61.650%0.49732%0.319SS..THydrogen-bonded Turntrans-69122.8-174.5174.60000109.9V52 K54 F75V52-V109 HydrophobicContact CB-CB 4.24Å; V52-V109 HydrophobicContact CB-CG2 4.06Å; V52-V109 HydrophobicContact CG1-CG2 3.82Å; V52-V109 WeakPolarHBondContact O-CB 3.38Å; V52-V109 WeakPolarHBondContact O-CG2 3.44Å; V52-V109 PolarHBondContact O-N 2.96Å; K54-V109 HydrophobicContact CB-CG2 4.45Å; F75-V109 HydrophobicContact CD1-CG2 3.95Å; F75-V109 HydrophobicContact CE1-CG2 3.99Å
110G82.1Confident85.7Confident83 Ų8361.2 Ų61.286%0.85632%0.316SS*.THydrogen-bonded Turntrans103.1-15.5-172.600000113.9K108K108-G110 PolarHBondContact O-N 3.15Å
111E84.1Confident85.6Confident85 Ų8566.1 Ų66.140%0.39734%0.339SS..  trans-104.1147.5177.3-69.9169.3-165.900111.4Q107 K108Q107-E111 PolarHBondContact NE2-O 3.21Å; K108-E111 HydrophobicContact CB-CB 4.35Å; K108-E111 WeakPolarHBondContact CB-OE2 3.32Å; K108-E111 WeakPolarHBondContact CD-OE1 3.38Å; K108-E111 WeakPolarHBondContact CD-OE2 3.43Å; K108-E111 WeakPolarHBondContact CE-OE1 3.32Å; K108-E111 IonicContact NZ-OE1 2.74Å; K108-E111 PolarHBondContact NZ-OE1 2.76Å; K108-E111 IonicContact NZ-OE2 3.72Å; K108-E111 PolarHBondContact O-N 2.91Å
112Q80.9Confident85.6Confident188 Ų18865 Ų6588%0.87933%0.334SS*.  trans-85.7-14.6177.2-69.3-174.2-15.200112.9I114Q112-I114 PolarHBondContact O-N 2.87Å
113E85.4Confident85.5Confident134 Ų13470.4 Ų70.463%0.62635%0.354SS*.  trans-73.2128.1-178.4-167.1173.5165.100111.3
114I84.6Confident85.4Confident101 Ų10168.2 Ų68.252%0.51835%0.345SS..EExtended strand (participates in β ladder)trans-111.8106.5177-57.1177.5000107.6T105 Q107 Q112 Q116T105-I114 HydrophobicContact CG2-CG2 4.44Å; Q107-I114 HydrophobicContact CB-CG1 4.27Å; Q107-I114 HydrophobicContact CG-CG1 4.26Å; Q112-I114 PolarHBondContact O-N 2.87Å; I114-Q116 PolarHBondContact O-N 2.93Å
115Q82.9Confident85.2Confident63 Ų6369.7 Ų69.729%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-80.2112.9175.8-61.8-172.92.700109.2T105 V106T105-Q115 WeakPolarHBondContact CA-O 3.49Å; V106-Q115 PolarHBondContact N-O 3.37Å; V106-Q115 PolarHBondContact O-N 3.04Å
116Q85.9Confident85Confident102 Ų10274.1 Ų74.148%0.47738%0.376SS..EExtended strand (participates in β ladder)trans-77.5125.6168.6177.1170.9-16.900109.3T105 I114 N119T105-Q116 HydrophobicContact CG2-CB 4.15Å; T105-Q116 HydrophobicContact CG2-CG 4.24Å; I114-Q116 PolarHBondContact O-N 2.93Å; Q116-N119 PolarHBondContact NE2-OD1 3.15Å
117L86.5Confident84.4Confident2 Ų277.8 Ų77.81%0.0139%0.393CS..PPolyproline II helixtrans-83.3161.8172.8-48.4-171.3000110.2V104 V106 N119 V132 T133 L139 V141V104-L117 HydrophobicContact CB-CB 4.42Å; V104-L117 HydrophobicContact CB-CD1 4.05Å; V104-L117 HydrophobicContact CB-CG 4.4Å; V104-L117 HydrophobicContact CG1-CD1 3.81Å; V104-L117 HydrophobicContact CG1-CG 4.41Å; V104-L117 WeakPolarHBondContact O-CB 3.33Å; V104-L117 PolarHBondContact O-N 2.89Å; V106-L117 HydrophobicContact CG2-CD1 3.78Å; V106-L117 HydrophobicContact CG2-CD2 4.15Å; V106-L117 HydrophobicContact CG2-CG 4.03Å; L117-N119 PolarHBondContact O-N 3.16Å; L117-V132 HydrophobicContact CB-CG1 3.68Å; L117-V132 HydrophobicContact CD1-CB 4.46Å; L117-V132 HydrophobicContact CD1-CG1 4.02Å; L117-T133 WeakPolarHBondContact CB-O 3.38Å; L117-L139 HydrophobicContact CD2-CB 4.31Å; L117-V141 HydrophobicContact CD1-CB 4.05Å; L117-V141 HydrophobicContact CD1-CG2 3.49Å; L117-V141 VanDerWaalsContact CD1-CG2 3.49Å
118R86.6Confident84.1Confident120 Ų12083.4 Ų83.445%0.45342%0.416SS..PPolyproline II helixtrans-59.8126.8179.5-61.8170.3-170.9-141.2-1.9109.9T120 V132 T133 S134 S135R118-T120 PolarHBondContact O-N 3.32Å; R118-T120 PolarHBondContact O-OG1 2.8Å; R118-V132 WeakPolarHBondContact O-CG1 3.45Å; R118-T133 WeakPolarHBondContact CD-OG1 3.28Å; R118-T133 VanDerWaalsContact CG-O 3.32Å; R118-T133 WeakPolarHBondContact CG-O 3.2Å; R118-T133 PolarHBondContact N-O 2.89Å; R118-S134 PolarHBondContact NE-O 3.02Å; R118-S135 PolarHBondContact NH2-O 3.48Å
119N84.6Confident83.9Confident72 Ų7284.9 Ų84.939%0.38542%0.424SS..PPolyproline II helixtrans-55.4129.5171-68.337.5000108.5E101 Q116 L117E101-N119 PolarHBondContact OE1-ND2 3.03Å; Q116-N119 PolarHBondContact NE2-OD1 3.15Å; L117-N119 PolarHBondContact O-N 3.16Å
120T86.5Confident84Confident29 Ų2981.3 Ų81.318%0.17840%0.402CS..EExtended strand (participates in β ladder)trans-127.1126.9-175.2-490000109L102 R118 L130L102-T120 PolarHBondContact N-O 3.26Å; L102-T120 PolarHBondContact O-N 3.3Å; L102-T120 VanDerWaalsContact O-N 3.08Å; R118-T120 PolarHBondContact O-N 3.32Å; R118-T120 PolarHBondContact O-OG1 2.8Å; T120-L130 HydrophobicContact CG2-CD1 3.64Å; T120-L130 HydrophobicContact CG2-CG 4.34Å
121E87.3Confident84.1Confident108 Ų10880.4 Ų80.451%0.50538%0.383SS..EExtended strand (participates in β ladder)trans-98.8137.5174.7-66.6-179.4-161.700109.8F62 I100F62-E121 WeakPolarHBondContact CE2-OE1 3.23Å; F62-E121 WeakPolarHBondContact CE2-OE2 3.48Å; I100-E121 WeakPolarHBondContact O-CA 3.32Å
122F86.5Confident84.1Confident4 Ų476.3 Ų76.32%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-138.1159.9178.571.9-80.9000112L36 P99 I100 L102 L124 E127 L130 V145L36-F122 HydrophobicContact CD2-CZ 4.23Å; P99-F122 WeakPolarHBondContact CA-O 3.45Å; I100-F122 HydrophobicContact CB-CD1 4.06Å; I100-F122 HydrophobicContact CB-CE1 3.61Å; I100-F122 HydrophobicContact CB-CE2 4.36Å; I100-F122 HydrophobicContact CB-CZ 3.78Å; I100-F122 HydrophobicContact CD1-CE2 4.1Å; I100-F122 HydrophobicContact CD1-CZ 3.9Å; I100-F122 HydrophobicContact CG1-CZ 4.42Å; I100-F122 HydrophobicContact CG2-CD1 4.29Å; I100-F122 HydrophobicContact CG2-CE1 3.45Å; I100-F122 VanDerWaalsContact CG2-CE1 3.45Å; I100-F122 HydrophobicContact CG2-CZ 3.72Å; I100-F122 PolarHBondContact N-O 2.87Å; I100-F122 WeakPolarHBondContact O-CD1 3.22Å; I100-F122 PolarHBondContact O-N 3.35Å; L102-F122 HydrophobicContact CB-CD1 4.32Å; L102-F122 HydrophobicContact CB-CE1 4.08Å; L102-F122 HydrophobicContact CD2-CE1 4.49Å; F122-L124 HydrophobicContact CE2-CD2 3.86Å; F122-L124 HydrophobicContact CE2-CG 4.39Å; F122-E127 WeakPolarHBondContact CB-OE2 3.46Å; F122-L130 HydrophobicContact CB-CD1 3.82Å; F122-L130 HydrophobicContact CB-CD2 4.08Å; F122-L130 HydrophobicContact CD1-CD2 3.55Å; F122-L130 HydrophobicContact CE1-CD2 4.09Å; F122-L130 HydrophobicContact CG-CD2 3.86Å; F122-V145 HydrophobicContact CD2-CG1 4.38Å; F122-V145 HydrophobicContact CE2-CG1 3.81Å; F122-V145 HydrophobicContact CE2-CG2 4.34Å
123R87.2Confident84.4Confident112 Ų11268.7 Ų68.742%0.42333%0.33SS..  trans-121.1125.5174.5-73.9175.1176.6175.73.7110.7P99 A125 E126 E127P99-R123 HydrophobicContact CB-CG 4.43Å; R123-A125 PolarHBondContact O-N 3.48Å; R123-A125 VanDerWaalsContact O-N 3.16Å; R123-E126 HydrophobicContact CB-CB 4.18Å; R123-E126 HydrophobicContact CB-CG 4.19Å; R123-E126 WeakPolarHBondContact CD-OE1 3.25Å; R123-E126 WeakPolarHBondContact CD-OE2 3.49Å; R123-E126 IonicContact CZ-OE1 3.96Å; R123-E126 IonicContact NE-OE1 2.61Å; R123-E126 IonicContact NH1-OE1 3.66Å; R123-E126 PolarHBondContact NH1-OE1 2.94Å; R123-E126 IonicContact NH1-OE2 3.4Å; R123-E126 PolarHBondContact O-N 3.42Å; R123-E127 PolarHBondContact O-N 3.42Å
124L86.3Confident84.3Confident8 Ų862.4 Ų62.44%0.04230%0.301CS..THydrogen-bonded Turntrans-57.8-32-176.3-67.1164.6000113.6V34 V93 V96 I100 F122 E126 V145 Y147V34-L124 HydrophobicContact CB-CD2 4.35Å; V34-L124 HydrophobicContact CG1-CD2 3.69Å; V34-L124 HydrophobicContact CG2-CD1 3.58Å; V34-L124 HydrophobicContact CG2-CD2 3.7Å; V34-L124 HydrophobicContact CG2-CG 4.3Å; V93-L124 HydrophobicContact CG2-CD1 3.91Å; V96-L124 HydrophobicContact CG1-CB 3.71Å; V96-L124 HydrophobicContact CG1-CD1 4.41Å; I100-L124 HydrophobicContact CD1-CD1 3.78Å; I100-L124 HydrophobicContact CD1-CD2 4.19Å; I100-L124 HydrophobicContact CD1-CG 3.89Å; F122-L124 HydrophobicContact CE2-CD2 3.86Å; F122-L124 HydrophobicContact CE2-CG 4.39Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-V145 HydrophobicContact CD2-CG1 3.68Å; L124-Y147 HydrophobicContact CB-CD1 3.88Å; L124-Y147 HydrophobicContact CB-CE1 4.12Å; L124-Y147 HydrophobicContact CD2-CD1 4.33Å; L124-Y147 WeakPolarHBondContact O-CE1 3.28Å
125A83.9Confident84Confident32 Ų3262 Ų6226%0.26431%0.307SS..THydrogen-bonded Turntrans-79.2-12.1179.900000114.6V96 R123 L157V96-A125 HydrophobicContact CG1-CB 4.29Å; R123-A125 PolarHBondContact O-N 3.48Å; R123-A125 VanDerWaalsContact O-N 3.16Å; A125-L157 HydrophobicContact CB-CD2 3.62Å
126E82.8Confident83.7Confident127 Ų12764.1 Ų64.159%0.59332%0.32SS*.THydrogen-bonded Turntrans-114.3-46.2-170.6-65.4172.2-160.200111.4R123 L124R123-E126 HydrophobicContact CB-CB 4.18Å; R123-E126 HydrophobicContact CB-CG 4.19Å; R123-E126 WeakPolarHBondContact CD-OE1 3.25Å; R123-E126 WeakPolarHBondContact CD-OE2 3.49Å; R123-E126 IonicContact CZ-OE1 3.96Å; R123-E126 IonicContact NE-OE1 2.61Å; R123-E126 IonicContact NH1-OE1 3.66Å; R123-E126 PolarHBondContact NH1-OE1 2.94Å; R123-E126 IonicContact NH1-OE2 3.4Å; R123-E126 PolarHBondContact O-N 3.42Å; L124-E126 VanDerWaalsContact C-N 3.33Å
127E74.8Confident83.1Confident79 Ų7963.2 Ų63.237%0.36932%0.318SS..  trans-112.2124.7-171.3-63.6-176.2151.400112.8F122 R123F122-E127 WeakPolarHBondContact CB-OE2 3.46Å; R123-E127 PolarHBondContact O-N 3.42Å
128K79.4Confident82.5Confident158 Ų15864.9 Ų64.969%0.68733%0.33SS*.SBendtrans-97.6-22.4171.8-67.7-175.7178.8-179.20113.6H144 V145K128-H144 CarbonylContact O-C 3.48Å; K128-H144 WeakPolarHBondContact O-CA 3.36Å; K128-V145 PolarHBondContact O-N 2.99Å
129E81.7Confident82Confident93 Ų9359.6 Ų59.644%0.43531%0.311SS..EExtended strand (participates in β ladder)trans-129.1127177.3-68.9-174-172.500108.6F143E129-F143 WeakPolarHBondContact CA-O 3.47Å
130L84.8Confident81.7Confident8 Ų857.2 Ų57.24%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-120.7135-178.6-175.667.3000109L102 T120 F122 V132 R142 F143 V145L102-L130 HydrophobicContact CB-CD2 4.48Å; L102-L130 HydrophobicContact CD2-CD2 3.59Å; T120-L130 HydrophobicContact CG2-CD1 3.64Å; T120-L130 HydrophobicContact CG2-CG 4.34Å; F122-L130 HydrophobicContact CB-CD1 3.82Å; F122-L130 HydrophobicContact CB-CD2 4.08Å; F122-L130 HydrophobicContact CD1-CD2 3.55Å; F122-L130 HydrophobicContact CE1-CD2 4.09Å; F122-L130 HydrophobicContact CG-CD2 3.86Å; L130-V132 HydrophobicContact CD2-CG2 4.32Å; L130-V132 HydrophobicContact CG-CG2 4.33Å; L130-R142 CarbonylContact O-C 3.59Å; L130-R142 WeakPolarHBondContact O-CA 3.24Å; L130-F143 HydrophobicContact CB-CB 4.33Å; L130-F143 PolarHBondContact N-O 3.04Å; L130-F143 PolarHBondContact O-N 3.35Å; L130-V145 HydrophobicContact CB-CG2 4.32Å
131S83.8Confident81.4Confident63 Ų6355.8 Ų55.844%0.44129%0.289SS..EExtended strand (participates in β ladder)trans-119.9113.6176.7-68.10000110.8
132V84.5Confident81.3Confident0 Ų054.3 Ų54.30%028%0.279CS..EExtended strand (participates in β ladder)trans-102.1117.1178.7-173.70000108L102 V104 L117 R118 L130 V141 F143L102-V132 HydrophobicContact CD2-CG2 4.05Å; V104-V132 HydrophobicContact CB-CG1 4.09Å; V104-V132 HydrophobicContact CG2-CB 4.39Å; V104-V132 HydrophobicContact CG2-CG1 4Å; V104-V132 HydrophobicContact CG2-CG2 4.33Å; L117-V132 HydrophobicContact CB-CG1 3.68Å; L117-V132 HydrophobicContact CD1-CB 4.46Å; L117-V132 HydrophobicContact CD1-CG1 4.02Å; R118-V132 WeakPolarHBondContact O-CG1 3.45Å; L130-V132 HydrophobicContact CD2-CG2 4.32Å; L130-V132 HydrophobicContact CG-CG2 4.33Å; V132-V141 PolarHBondContact N-O 2.95Å; V132-V141 PolarHBondContact O-N 3.19Å; V132-F143 HydrophobicContact CB-CE2 4.25Å; V132-F143 HydrophobicContact CG2-CD2 4.03Å; V132-F143 HydrophobicContact CG2-CE2 3.68Å
133T85.6Confident81.2Confident27 Ų2754.3 Ų54.317%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-113.4155-171.361.20000113L117 R118 L137 L139 I140L117-T133 WeakPolarHBondContact CB-O 3.38Å; R118-T133 WeakPolarHBondContact CD-OG1 3.28Å; R118-T133 VanDerWaalsContact CG-O 3.32Å; R118-T133 WeakPolarHBondContact CG-O 3.2Å; R118-T133 PolarHBondContact N-O 2.89Å; T133-L137 HydrophobicContact CG2-CD2 4.35Å; T133-L139 WeakPolarHBondContact CA-O 3.49Å; T133-I140 HydrophobicContact CG2-CB 4.4Å; T133-I140 HydrophobicContact CG2-CD1 4.34Å; T133-I140 HydrophobicContact CG2-CG1 3.97Å; T133-I140 HydrophobicContact CG2-CG2 4.09Å
134S83.8Confident81.1Confident2 Ų251.7 Ų51.71%0.01427%0.272CS..  trans-69.6167.2170.262.20000111.8R118 D136 L137 S138 L139R118-S134 PolarHBondContact NE-O 3.02Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 WeakPolarHBondContact CB-OD1 3.2Å; S134-D136 PolarHBondContact O-N 3Å; S134-D136 PolarHBondContact OG-OD1 3.41Å; S134-L137 PolarHBondContact O-N 3.02Å; S134-L137 PolarHBondContact OG-N 3.47Å; S134-S138 PolarHBondContact OG-N 2.97Å; S134-S138 VanDerWaalsContact OG-N 3.08Å; S134-S138 PolarHBondContact OG-OG 3.25Å; S134-L139 PolarHBondContact N-O 3.5Å; S134-L139 PolarHBondContact OG-N 3.43Å; S134-L139 VanDerWaalsContact OG-N 3.13Å
135S78.4Confident81.1Confident93 Ų9351.6 Ų51.665%0.6527%0.271SS*.THydrogen-bonded Turntrans-62-37.1178.9-64.20000112.6R118R118-S135 PolarHBondContact NH2-O 3.48Å
136D77.8Confident81.4Confident107 Ų10752.9 Ų52.957%0.57228%0.276SS*.THydrogen-bonded Turntrans-89.8-3.9178.866.1-31.8000114.4S134 S138S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 WeakPolarHBondContact CB-OD1 3.2Å; S134-D136 PolarHBondContact O-N 3Å; S134-D136 PolarHBondContact OG-OD1 3.41Å; D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 3.47Å; D136-S138 PolarHBondContact OD1-OG 2.98Å; D136-S138 VanDerWaalsContact OD1-OG 3.06Å; D136-S138 WeakPolarHBondContact OD2-CB 3.35Å; D136-S138 PolarHBondContact OD2-OG 3.27Å
137L71.7Confident81.8Confident83 Ų8349.4 Ų49.444%0.43526%0.258SS..SBendtrans65.614.6-177.5-50.8174.7000116T133 S134T133-L137 HydrophobicContact CG2-CD2 4.35Å; S134-L137 PolarHBondContact O-N 3.02Å; S134-L137 PolarHBondContact OG-N 3.47Å
138S74.6Confident82.7Confident38 Ų3851.7 Ų51.727%0.26627%0.271SS..SBendtrans-70.5-32.8174.758.30000113.8S134 D136S134-S138 PolarHBondContact OG-N 2.97Å; S134-S138 VanDerWaalsContact OG-N 3.08Å; S134-S138 PolarHBondContact OG-OG 3.25Å; D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 3.47Å; D136-S138 PolarHBondContact OD1-OG 2.98Å; D136-S138 VanDerWaalsContact OD1-OG 3.06Å; D136-S138 WeakPolarHBondContact OD2-CB 3.35Å; D136-S138 PolarHBondContact OD2-OG 3.27Å
139L75.8Confident83.3Confident9 Ų946.5 Ų46.55%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-113.2132.4177.6-59-172.6000111.5T42 Y53 V106 L117 T133 S134T42-L139 HydrophobicContact CG2-CD2 3.7Å; Y53-L139 HydrophobicContact CE1-CD2 4.48Å; V106-L139 HydrophobicContact CB-CD1 3.93Å; V106-L139 HydrophobicContact CG1-CD1 3.78Å; V106-L139 HydrophobicContact CG2-CD1 4.47Å; L117-L139 HydrophobicContact CD2-CB 4.31Å; T133-L139 WeakPolarHBondContact CA-O 3.49Å; S134-L139 PolarHBondContact N-O 3.5Å; S134-L139 PolarHBondContact OG-N 3.43Å; S134-L139 VanDerWaalsContact OG-N 3.13Å
140I79.2Confident83.9Confident21 Ų2144 Ų4411%0.10824%0.244CC..EExtended strand (participates in β ladder)trans-126.9108.1174.3-51.5-170.1000109.6S41 D43 T133 R142S41-I140 PolarHBondContact N-O 3.36Å; S41-I140 CarbonylContact O-C 3.59Å; S41-I140 WeakPolarHBondContact O-CA 3.14Å; S41-I140 PolarHBondContact O-N 2.93Å; D43-I140 HydrophobicContact CB-CD1 4.39Å; D43-I140 WeakPolarHBondContact OD2-CD1 3.5Å; T133-I140 HydrophobicContact CG2-CB 4.4Å; T133-I140 HydrophobicContact CG2-CD1 4.34Å; T133-I140 HydrophobicContact CG2-CG1 3.97Å; T133-I140 HydrophobicContact CG2-CG2 4.09Å; I140-R142 HydrophobicContact CG2-CG 3.91Å
141V80.6Confident84.2Confident0 Ų048.2 Ų48.20%027%0.272CS..EExtended strand (participates in β ladder)trans-90.7121.1170-177.20000108.4L38 L40 V55 V104 V106 L117 V132 F143L38-V141 HydrophobicContact CD1-CG1 3.38Å; L40-V141 HydrophobicContact CD1-CG2 3.79Å; V55-V141 HydrophobicContact CG1-CG2 4.5Å; V104-V141 HydrophobicContact CG1-CG2 4.36Å; V106-V141 HydrophobicContact CG2-CG2 3.97Å; L117-V141 HydrophobicContact CD1-CB 4.05Å; L117-V141 HydrophobicContact CD1-CG2 3.49Å; L117-V141 VanDerWaalsContact CD1-CG2 3.49Å; V132-V141 PolarHBondContact N-O 2.95Å; V132-V141 PolarHBondContact O-N 3.19Å; V141-F143 HydrophobicContact CB-CE2 4.17Å; V141-F143 HydrophobicContact CG1-CD2 4.18Å; V141-F143 HydrophobicContact CG1-CE1 4.29Å; V141-F143 HydrophobicContact CG1-CE2 3.43Å; V141-F143 VanDerWaalsContact CG1-CE2 3.43Å; V141-F143 HydrophobicContact CG1-CZ 3.5Å
142R84Confident84.6Confident77 Ų7746.7 Ų46.729%0.29126%0.259SS..EExtended strand (participates in β ladder)trans-104.8138.7178-57.6-170.9-176.9132.511.4109.9G39 D43 L130 I140G39-R142 PolarHBondContact N-O 3.43Å; G39-R142 PolarHBondContact O-N 3.03Å; D43-R142 IonicContact OD1-NH2 2.62Å; D43-R142 PolarHBondContact OD1-NH2 3.25Å; D43-R142 IonicContact OD2-NH2 3.81Å; L130-R142 CarbonylContact O-C 3.59Å; L130-R142 WeakPolarHBondContact O-CA 3.24Å; I140-R142 HydrophobicContact CG2-CG 3.91Å
143F83.8Confident85.1Confident3 Ų349.1 Ų49.11%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-123.7128.3175.4-59.5-93.7000109.3L36 K37 L38 I57 L102 V104 E129 L130 V132 V141L36-F143 HydrophobicContact CB-CD1 4.18Å; L36-F143 HydrophobicContact CD1-CD1 4.37Å; K37-F143 WeakPolarHBondContact O-CA 3.39Å; L38-F143 HydrophobicContact CD1-CD1 4.11Å; L38-F143 HydrophobicContact CD1-CE1 3.6Å; L38-F143 HydrophobicContact CD1-CZ 3.96Å; I57-F143 HydrophobicContact CD1-CE1 3.86Å; I57-F143 HydrophobicContact CD1-CZ 4.21Å; I57-F143 HydrophobicContact CG1-CE1 4.26Å; I57-F143 HydrophobicContact CG1-CZ 4.2Å; I57-F143 HydrophobicContact CG2-CE1 4.44Å; L102-F143 HydrophobicContact CD2-CD2 3.83Å; L102-F143 HydrophobicContact CD2-CE1 4.37Å; L102-F143 HydrophobicContact CD2-CE2 3.62Å; L102-F143 HydrophobicContact CD2-CG 4.3Å; L102-F143 HydrophobicContact CD2-CZ 3.92Å; V104-F143 HydrophobicContact CG2-CE2 4Å; V104-F143 HydrophobicContact CG2-CZ 3.79Å; E129-F143 WeakPolarHBondContact CA-O 3.47Å; L130-F143 HydrophobicContact CB-CB 4.33Å; L130-F143 PolarHBondContact N-O 3.04Å; L130-F143 PolarHBondContact O-N 3.35Å; V132-F143 HydrophobicContact CB-CE2 4.25Å; V132-F143 HydrophobicContact CG2-CD2 4.03Å; V132-F143 HydrophobicContact CG2-CE2 3.68Å; V141-F143 HydrophobicContact CB-CE2 4.17Å; V141-F143 HydrophobicContact CG1-CD2 4.18Å; V141-F143 HydrophobicContact CG1-CE1 4.29Å; V141-F143 HydrophobicContact CG1-CE2 3.43Å; V141-F143 VanDerWaalsContact CG1-CE2 3.43Å; V141-F143 HydrophobicContact CG1-CZ 3.5Å
144H85.4Confident85.4Confident58 Ų5849.8 Ų49.827%0.26927%0.269SS..EExtended strand (participates in β ladder)trans-91.3120.8163.6178.7-76.3000108.8K37 K128 T146K37-H144 HydrophobicContact CB-CB 4.29Å; K37-H144 PolarHBondContact N-O 3.09Å; K37-H144 PolarHBondContact O-N 3.38Å; K128-H144 CarbonylContact O-C 3.48Å; K128-H144 WeakPolarHBondContact O-CA 3.36Å; H144-T146 VanDerWaalsContact CE1-CG2 3.47Å; H144-T146 WeakPolarHBondContact CE1-CG2 3.33Å
145V87.7Confident85.7Confident6 Ų651 Ų514%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-103.2126.1-170.2-1740000109.6L36 F122 L124 K128 L130L36-V145 HydrophobicContact CD2-CB 4.31Å; L36-V145 HydrophobicContact CD2-CG1 4.05Å; L36-V145 HydrophobicContact CD2-CG2 3.82Å; F122-V145 HydrophobicContact CD2-CG1 4.38Å; F122-V145 HydrophobicContact CE2-CG1 3.81Å; F122-V145 HydrophobicContact CE2-CG2 4.34Å; L124-V145 HydrophobicContact CD2-CG1 3.68Å; K128-V145 PolarHBondContact O-N 2.99Å; L130-V145 HydrophobicContact CB-CG2 4.32Å
146T89.5Confident86.2Confident58 Ų5854.3 Ų54.336%0.35629%0.285SS..EExtended strand (participates in β ladder)trans-129.5162165.963.10000110.8V34 T35 H144V34-T146 CarbonylContact C-O 3.59Å; V34-T146 WeakPolarHBondContact CA-O 3.43Å; T35-T146 PolarHBondContact N-O 3.38Å; T35-T146 PolarHBondContact O-N 2.83Å; H144-T146 VanDerWaalsContact CE1-CG2 3.47Å; H144-T146 WeakPolarHBondContact CE1-CG2 3.33Å
147Y92Very high86.8Confident55 Ų5551.1 Ų51.122%0.21627%0.267CS..EExtended strand (participates in β ladder)trans-141.2154.5164.262.6-79.7000109.5A32 N33 V96 L124 K156A32-Y147 HydrophobicContact CB-CD2 4.28Å; N33-Y147 CarbonylContact O-C 3.56Å; N33-Y147 VanDerWaalsContact O-CA 3.24Å; N33-Y147 WeakPolarHBondContact O-CA 3.47Å; V96-Y147 HydrophobicContact CG1-CD1 4.41Å; V96-Y147 HydrophobicContact CG1-CD2 4.1Å; V96-Y147 HydrophobicContact CG1-CE1 4.02Å; V96-Y147 HydrophobicContact CG1-CE2 3.65Å; V96-Y147 HydrophobicContact CG1-CG 4.47Å; V96-Y147 HydrophobicContact CG2-CD2 4.04Å; V96-Y147 HydrophobicContact CG2-CE2 4.08Å; L124-Y147 HydrophobicContact CB-CD1 3.88Å; L124-Y147 HydrophobicContact CB-CE1 4.12Å; L124-Y147 HydrophobicContact CD2-CD1 4.33Å; L124-Y147 WeakPolarHBondContact O-CE1 3.28Å; Y147-K156 PolarHBondContact OH-O 2.96Å
148L92.1Very high87.8Confident126 Ų12647.1 Ų47.166%0.6625%0.247SC*.EExtended strand (participates in β ladder)trans-126.9139.3171.1-64.8172.8000108A32 N33A32-L148 CarbonylContact C-O 3.54Å; A32-L148 VanDerWaalsContact CA-O 3.22Å; A32-L148 WeakPolarHBondContact CA-O 3.2Å; A32-L148 WeakPolarHBondContact CB-O 3.47Å; N33-L148 PolarHBondContact N-O 3.45Å; N33-L148 PolarHBondContact O-N 3.44Å
149C93.3Very high88.6Confident50 Ų5049 Ų4934%0.33825%0.254SS..EExtended strand (participates in β ladder)trans-64.9144.3172.9-54.20000110.2Y153 C158C149-Y153 WeakPolarHBondContact CB-O 3.35Å; C149-C158 WeakPolarHBondContact CA-SG 3.41Å; C149-C158 HydrophobicContact CB-CB 3.71Å; C149-C158 WeakPolarHBondContact CB-SG 3.26Å; C149-C158 WeakPolarHBondContact SG-CA 3.32Å; C149-C158 WeakPolarHBondContact SG-CB 3.39Å; C149-C158 CovalentContact SG-SG 2.04Å; C149-C158 PolarHBondContact SG-SG 2.8Å
150L93.1Very high89.3Confident40 Ų4051.9 Ų51.921%0.20927%0.266CS..PPolyproline II helixtrans-72.2160.8172-68.1178.4000110.2F30 R31 N33 L92 N152 Y153F30-L150 HydrophobicContact CB-CD1 3.79Å; R31-L150 PolarHBondContact O-N 3.45Å; N33-L150 HydrophobicContact CB-CD2 4.14Å; L92-L150 HydrophobicContact CD2-CD1 4.41Å; L92-L150 HydrophobicContact CD2-CD2 4.09Å; L150-N152 PolarHBondContact O-N 3.15Å; L150-Y153 HydrophobicContact CB-CD2 4.16Å; L150-Y153 WeakPolarHBondContact O-CB 3.29Å; L150-Y153 PolarHBondContact O-N 2.81Å
151P91.4Very high90Very high97 Ų9756.7 Ų56.763%0.6329%0.286SS*.THydrogen-bonded Turntrans-48.5141.7174.1-28.736.1000112.1Y153P151-Y153 PolarHBondContact O-N 3.01Å
152N93.4Very high90.6Very high30 Ų3056.7 Ų56.716%0.1629%0.286CS..THydrogen-bonded Turntrans67.7-0.5-172.1-53.8-45.2000116.8L150 F161 C162 N163 I164L150-N152 PolarHBondContact O-N 3.15Å; N152-F161 HydrophobicContact CB-CD2 3.89Å; N152-F161 HydrophobicContact CB-CE2 3.38Å; N152-F161 HydrophobicContact CB-CZ 3.85Å; N152-F161 CarbonylContact O-C 3.59Å; N152-F161 VanDerWaalsContact O-CA 3.32Å; N152-F161 WeakPolarHBondContact O-CA 3.21Å; N152-C162 VanDerWaalsContact CA-O 3.26Å; N152-C162 WeakPolarHBondContact CA-O 3.34Å; N152-C162 WeakPolarHBondContact CB-O 3.46Å; N152-C162 PolarHBondContact O-N 3.46Å; N152-C162 PolarHBondContact OD1-O 2.83Å; N152-N163 WeakPolarHBondContact OD1-CA 3.5Å; N152-N163 PolarHBondContact OD1-OD1 2.94Å; N152-I164 WeakPolarHBondContact OD1-CG1 3.32Å; N152-I164 PolarHBondContact OD1-N 3.24Å
153Y94Very high91Very high52 Ų5255.2 Ų55.220%0.20428%0.284CS..EExtended strand (participates in β ladder)trans-106.8136.1174.2-69.9-79.5000112.7R31 C149 L150 P151 C158 K160 F161R31-Y153 HydrophobicContact CB-CD1 4.12Å; R31-Y153 HydrophobicContact CB-CD2 4.44Å; R31-Y153 HydrophobicContact CB-CE1 4.3Å; R31-Y153 HydrophobicContact CB-CG 4.19Å; R31-Y153 HydrophobicContact CG-CD1 3.98Å; R31-Y153 HydrophobicContact CG-CE1 3.68Å; R31-Y153 HydrophobicContact CG-CE2 4.36Å; R31-Y153 HydrophobicContact CG-CG 4.45Å; C149-Y153 WeakPolarHBondContact CB-O 3.35Å; L150-Y153 HydrophobicContact CB-CD2 4.16Å; L150-Y153 WeakPolarHBondContact O-CB 3.29Å; L150-Y153 PolarHBondContact O-N 2.81Å; P151-Y153 PolarHBondContact O-N 3.01Å; Y153-C158 VanDerWaalsContact CD1-O 3.29Å; Y153-C158 WeakPolarHBondContact CD1-O 3.42Å; Y153-K160 WeakPolarHBondContact CA-O 3.33Å; Y153-F161 HydrophobicContact CD1-CB 4.48Å; Y153-F161 HydrophobicContact CD1-CD2 4.36Å; Y153-F161 HydrophobicContact CE1-CB 4.24Å; Y153-F161 AromaticContact CE1-CD2 3.95Å; Y153-F161 HydrophobicContact CE1-CD2 3.95Å; Y153-F161 HydrophobicContact CE2-CD2 4.27Å; Y153-F161 AromaticContact CZ-CD2 3.92Å
154F92.9Very high91.4Very high41 Ų4159.6 Ų59.618%0.1831%0.307CS..EExtended strand (participates in β ladder)trans-140.1171.3-169.7-67.3-92.8000112.6C158 N159 K160 C162 I164 C171 D172 G175F154-C158 CarbonylContact O-C 3.51Å; F154-C158 WeakPolarHBondContact O-CA 3.39Å; F154-N159 PolarHBondContact O-N 3.01Å; F154-K160 PolarHBondContact N-O 3.1Å; F154-K160 PolarHBondContact O-N 2.89Å; F154-C162 HydrophobicContact CD2-CB 3.92Å; F154-C162 HydrophobicContact CE2-CB 3.93Å; F154-I164 HydrophobicContact CE2-CG2 4.04Å; F154-I164 HydrophobicContact CZ-CG2 3.79Å; F154-C171 HydrophobicContact CE1-CB 4.31Å; F154-C171 HydrophobicContact CE2-CB 3.92Å; F154-C171 HydrophobicContact CZ-CB 3.66Å; F154-D172 WeakPolarHBondContact CE1-O 3.48Å; F154-G175 VanDerWaalsContact CG-CA 3.46Å
155G89.2Confident91.7Very high28 Ų2864.4 Ų64.429%0.28933%0.329SS..SBendtrans80.1164.3-178.400000113.1L157 C158G155-L157 PolarHBondContact O-N 3.3Å; G155-C158 PolarHBondContact O-N 3.4Å
156K89.1Confident92Very high161 Ų16164.5 Ų64.570%0.733%0.331SS*.THydrogen-bonded Turntrans-51.7-28.5-174.8-176.1178.6176.4-174.50114Y147Y147-K156 PolarHBondContact OH-O 2.96Å
157L90.6Very high92Very high40 Ų4067.5 Ų67.521%0.20934%0.343CS..THydrogen-bonded Turntrans-110.510.9-174.9-57.8170.5000113V96 E97 A125 G155 N159V96-L157 HydrophobicContact CG1-CD2 4.26Å; V96-L157 VanDerWaalsContact CG2-O 3.28Å; V96-L157 WeakPolarHBondContact CG2-O 3.3Å; E97-L157 HydrophobicContact CG-CB 4.4Å; E97-L157 HydrophobicContact CG-CD1 3.88Å; E97-L157 HydrophobicContact CG-CD2 4Å; E97-L157 HydrophobicContact CG-CG 4.3Å; A125-L157 HydrophobicContact CB-CD2 3.62Å; G155-L157 PolarHBondContact O-N 3.3Å; L157-N159 HydrophobicContact CB-CB 4.28Å; L157-N159 PolarHBondContact O-N 2.88Å
158C92.7Very high92.1Very high0 Ų068.5 Ų68.50%035%0.35CS..SBendtrans5027.2-173.8-50.50000113.5R31 A32 V96 C149 Y153 F154 G155R31-C158 HydrophobicContact CB-CB 4.28Å; R31-C158 WeakPolarHBondContact CB-O 3.48Å; R31-C158 WeakPolarHBondContact CD-O 3.41Å; A32-C158 HydrophobicContact CB-CB 4.27Å; V96-C158 HydrophobicContact CG2-CB 4.09Å; C149-C158 WeakPolarHBondContact CA-SG 3.41Å; C149-C158 HydrophobicContact CB-CB 3.71Å; C149-C158 WeakPolarHBondContact CB-SG 3.26Å; C149-C158 WeakPolarHBondContact SG-CA 3.32Å; C149-C158 WeakPolarHBondContact SG-CB 3.39Å; C149-C158 CovalentContact SG-SG 2.04Å; C149-C158 PolarHBondContact SG-SG 2.8Å; Y153-C158 VanDerWaalsContact CD1-O 3.29Å; Y153-C158 WeakPolarHBondContact CD1-O 3.42Å; F154-C158 CarbonylContact O-C 3.51Å; F154-C158 WeakPolarHBondContact O-CA 3.39Å; G155-C158 PolarHBondContact O-N 3.4Å
159N91.1Very high92.2Very high77 Ų7764.2 Ų64.241%0.41233%0.325SS..  trans-95-12.9-169.362.4-7.1000113.2F154 L157F154-N159 PolarHBondContact O-N 3.01Å; L157-N159 HydrophobicContact CB-CB 4.28Å; L157-N159 PolarHBondContact O-N 2.88Å
160K91.3Very high92.3Very high69 Ų6967.3 Ų67.330%0.334%0.335SS..EExtended strand (participates in β ladder)trans-97.7125.8179.2-162.9-169.6-1671760110.1Y153 F154 L174 G175 N176Y153-K160 WeakPolarHBondContact CA-O 3.33Å; F154-K160 PolarHBondContact N-O 3.1Å; F154-K160 PolarHBondContact O-N 2.89Å; K160-L174 WeakPolarHBondContact CD-O 3.38Å; K160-L174 WeakPolarHBondContact CE-O 3.39Å; K160-L174 PolarHBondContact NZ-O 3.08Å; K160-G175 WeakPolarHBondContact CD-O 3.47Å; K160-G175 WeakPolarHBondContact CE-O 3.27Å; K160-G175 PolarHBondContact NZ-O 3.5Å; K160-N176 VanDerWaalsContact NZ-CG 3.28Å; K160-N176 PolarHBondContact NZ-OD1 3.38Å
161F92Very high92.3Very high122 Ų12266.8 Ų66.854%0.53533%0.334SS..EExtended strand (participates in β ladder)trans-97.3134.1175.7-177-91.7000110.6N152 Y153 N163N152-F161 HydrophobicContact CB-CD2 3.89Å; N152-F161 HydrophobicContact CB-CE2 3.38Å; N152-F161 HydrophobicContact CB-CZ 3.85Å; N152-F161 CarbonylContact O-C 3.59Å; N152-F161 VanDerWaalsContact O-CA 3.32Å; N152-F161 WeakPolarHBondContact O-CA 3.21Å; Y153-F161 HydrophobicContact CD1-CB 4.48Å; Y153-F161 HydrophobicContact CD1-CD2 4.36Å; Y153-F161 HydrophobicContact CE1-CB 4.24Å; Y153-F161 AromaticContact CE1-CD2 3.95Å; Y153-F161 HydrophobicContact CE1-CD2 3.95Å; Y153-F161 HydrophobicContact CE2-CD2 4.27Å; Y153-F161 AromaticContact CZ-CD2 3.92Å; F161-N163 HydrophobicContact CE1-CB 4.21Å; F161-N163 HydrophobicContact CZ-CB 4.47Å
162C93.2Very high92.4Very high1 Ų163.7 Ų63.71%0.00731%0.312CS..  trans-146.7123.5172.1-178.20000108.1N152 F154 I164 C171 G175N152-C162 VanDerWaalsContact CA-O 3.26Å; N152-C162 WeakPolarHBondContact CA-O 3.34Å; N152-C162 WeakPolarHBondContact CB-O 3.46Å; N152-C162 PolarHBondContact O-N 3.46Å; N152-C162 PolarHBondContact OD1-O 2.83Å; F154-C162 HydrophobicContact CD2-CB 3.92Å; F154-C162 HydrophobicContact CE2-CB 3.93Å; C162-I164 PolarHBondContact O-N 2.8Å; C162-C171 HydrophobicContact CB-CB 3.93Å; C162-C171 WeakPolarHBondContact CB-SG 3.4Å; C162-C171 PolarHBondContact O-SG 2.88Å; C162-C171 VanDerWaalsContact SG-CA 3.56Å; C162-C171 WeakPolarHBondContact SG-CB 3.43Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 3.1Å; C162-G175 WeakPolarHBondContact CB-O 3.47Å
163N93.7Very high92.2Very high46 Ų4669.9 Ų69.925%0.24634%0.34CS..  trans-79.5113.3-176.3-176.115.8000111N152 F161 E165 A166 Y169N152-N163 WeakPolarHBondContact OD1-CA 3.5Å; N152-N163 PolarHBondContact OD1-OD1 2.94Å; F161-N163 HydrophobicContact CE1-CB 4.21Å; F161-N163 HydrophobicContact CZ-CB 4.47Å; N163-E165 PolarHBondContact O-N 3.43Å; N163-E165 PolarHBondContact OD1-N 2.79Å; N163-A166 HydrophobicContact CB-CB 4.34Å; N163-A166 VanDerWaalsContact O-CB 3.31Å; N163-A166 WeakPolarHBondContact O-CB 3.45Å; N163-A166 PolarHBondContact O-N 3.12Å; N163-Y169 WeakPolarHBondContact CB-OH 3.46Å; N163-Y169 PolarHBondContact N-OH 3.39Å; N163-Y169 VanDerWaalsContact O-CE2 3.3Å; N163-Y169 WeakPolarHBondContact O-CE2 3.41Å
164I92Very high92.1Very high94 Ų9471.5 Ų71.548%0.48235%0.352SS..THydrogen-bonded Turntrans-69-20.8178.672.5-169.2000112.7N152 F154 C162 A166 C171N152-I164 WeakPolarHBondContact OD1-CG1 3.32Å; N152-I164 PolarHBondContact OD1-N 3.24Å; F154-I164 HydrophobicContact CE2-CG2 4.04Å; F154-I164 HydrophobicContact CZ-CG2 3.79Å; C162-I164 PolarHBondContact O-N 2.8Å; I164-A166 VanDerWaalsContact C-N 3.35Å; I164-C171 HydrophobicContact CG2-CB 4.4Å
165E92.6Very high92Very high159 Ų15969.7 Ų69.774%0.74334%0.344SS*.THydrogen-bonded Turntrans-89.41.7178.8-56.9-177.5167.900113N163N163-E165 PolarHBondContact O-N 3.43Å; N163-E165 PolarHBondContact OD1-N 2.79Å
166A92Very high92.2Very high8 Ų871.6 Ų71.67%0.06635%0.348CS..  trans-60.9147.9-178.900000112.5N163 I164 Y169 K180N163-A166 HydrophobicContact CB-CB 4.34Å; N163-A166 VanDerWaalsContact O-CB 3.31Å; N163-A166 WeakPolarHBondContact O-CB 3.45Å; N163-A166 PolarHBondContact O-N 3.12Å; I164-A166 VanDerWaalsContact C-N 3.35Å; A166-Y169 HydrophobicContact CB-CD1 3.62Å; A166-Y169 HydrophobicContact CB-CD2 3.88Å; A166-Y169 HydrophobicContact CB-CE1 3.33Å; A166-Y169 HydrophobicContact CB-CE2 3.58Å; A166-Y169 HydrophobicContact CB-CG 3.92Å; A166-K180 PolarHBondContact O-NZ 3.06Å
167I91.4Very high92.4Very high122 Ų12266.2 Ų66.263%0.62633%0.326SS*.SBendtrans-85.5-38-177.3-62.6178.8000110.3K180I167-K180 VanDerWaalsContact O-CD 3.31Å; I167-K180 WeakPolarHBondContact O-CD 3.22Å; I167-K180 WeakPolarHBondContact O-CE 3.24Å; I167-K180 PolarHBondContact O-NZ 3.31Å
168E92.8Very high92.6Very high76 Ų7668.8 Ų68.836%0.35534%0.34SS..SBendtrans-82.3-24.1-170.6-48.185.5167.400113.4K180 Y183 C192E168-K180 PolarHBondContact O-N 3.38Å; E168-Y183 HydrophobicContact CB-CD1 3.62Å; E168-Y183 HydrophobicContact CB-CE1 3.59Å; E168-Y183 HydrophobicContact CB-CG 4.25Å; E168-Y183 HydrophobicContact CG-CD1 3.99Å; E168-Y183 HydrophobicContact CG-CE1 3.49Å; E168-Y183 VanDerWaalsContact CG-CE1 3.49Å; E168-C192 HydrophobicContact CB-CB 4.09Å
169Y94.6Very high92.7Very high35 Ų3570.7 Ų70.714%0.13735%0.352CS..EExtended strand (participates in β ladder)trans-144.4165.6-171.665.8-95.2000113.5N163 A166 M177 L178 K180N163-Y169 WeakPolarHBondContact CB-OH 3.46Å; N163-Y169 PolarHBondContact N-OH 3.39Å; N163-Y169 VanDerWaalsContact O-CE2 3.3Å; N163-Y169 WeakPolarHBondContact O-CE2 3.41Å; A166-Y169 HydrophobicContact CB-CD1 3.62Å; A166-Y169 HydrophobicContact CB-CD2 3.88Å; A166-Y169 HydrophobicContact CB-CE1 3.33Å; A166-Y169 HydrophobicContact CB-CE2 3.58Å; A166-Y169 HydrophobicContact CB-CG 3.92Å; Y169-M177 HydrophobicContact CD1-CE 3.6Å; Y169-M177 HydrophobicContact CD2-CB 4.07Å; Y169-M177 HydrophobicContact CD2-CE 4.43Å; Y169-M177 HydrophobicContact CD2-CG 3.69Å; Y169-M177 HydrophobicContact CE1-CE 3.66Å; Y169-M177 HydrophobicContact CE1-SD 4.29Å; Y169-M177 HydrophobicContact CE2-CG 3.72Å; Y169-M177 HydrophobicContact CE2-SD 4.34Å; Y169-M177 HydrophobicContact CG-CB 4.2Å; Y169-M177 HydrophobicContact CG-CE 3.99Å; Y169-M177 HydrophobicContact CG-CG 4.11Å; Y169-L178 CarbonylContact C-O 3.58Å; Y169-L178 VanDerWaalsContact CA-O 3.27Å; Y169-L178 WeakPolarHBondContact CA-O 3.35Å; Y169-L178 WeakPolarHBondContact CB-O 3.05Å; Y169-K180 WeakPolarHBondContact O-CE 3.32Å
170Q94.5Very high92.8Very high116 Ų11669.8 Ų69.854%0.54235%0.345SS..EExtended strand (participates in β ladder)trans-117.2159167.7-62.9177.91.800108.7L178 K180Q170-L178 PolarHBondContact N-O 3.42Å; Q170-L178 PolarHBondContact O-N 3.39Å; Q170-K180 HydrophobicContact CG-CD 4.26Å; Q170-K180 HydrophobicContact CG-CG 3.95Å
171C94.3Very high92.9Very high29 Ų2972.6 Ų72.620%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-99.1130.3175.5-59.30000110F154 C162 I164 N176F154-C171 HydrophobicContact CE1-CB 4.31Å; F154-C171 HydrophobicContact CE2-CB 3.92Å; F154-C171 HydrophobicContact CZ-CB 3.66Å; C162-C171 HydrophobicContact CB-CB 3.93Å; C162-C171 WeakPolarHBondContact CB-SG 3.4Å; C162-C171 PolarHBondContact O-SG 2.88Å; C162-C171 VanDerWaalsContact SG-CA 3.56Å; C162-C171 WeakPolarHBondContact SG-CB 3.43Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 3.1Å; I164-C171 HydrophobicContact CG2-CB 4.4Å; C171-N176 WeakPolarHBondContact CA-O 3.05Å
172D92.2Very high92.8Very high32 Ų3267.5 Ų67.517%0.17135%0.352CS..  trans-75.7176.2168.381.6-0.1000111.8F154 L174 G175 N176 L178F154-D172 WeakPolarHBondContact CE1-O 3.48Å; D172-L174 PolarHBondContact O-N 3.41Å; D172-L174 VanDerWaalsContact O-N 3.11Å; D172-L174 VanDerWaalsContact OD1-CA 3.25Å; D172-L174 WeakPolarHBondContact OD1-CA 3.41Å; D172-L174 WeakPolarHBondContact OD1-CB 3.48Å; D172-L174 PolarHBondContact OD1-N 3.45Å; D172-G175 PolarHBondContact O-N 2.97Å; D172-G175 PolarHBondContact OD1-N 3.19Å; D172-N176 PolarHBondContact N-O 2.96Å; D172-N176 PolarHBondContact OD1-N 3.48Å; D172-N176 PolarHBondContact OD1-ND2 3.31Å; D172-N176 WeakPolarHBondContact OD2-CB 3.22Å; D172-N176 PolarHBondContact OD2-ND2 3.16Å; D172-L178 HydrophobicContact CB-CD1 3.91Å; D172-L178 HydrophobicContact CB-CG 4.22Å
173H89.5Confident92.8Very high159 Ų15970.6 Ų70.674%0.73636%0.364SS*.THydrogen-bonded Turntrans-63.9-14.3179.568-84.7000114.1
174L91.4Very high92.6Very high86 Ų8671.4 Ų71.445%0.4536%0.364SS..THydrogen-bonded Turntrans-102.15.5173.3-53.8178.1000112K160 D172 N176K160-L174 WeakPolarHBondContact CD-O 3.38Å; K160-L174 WeakPolarHBondContact CE-O 3.39Å; K160-L174 PolarHBondContact NZ-O 3.08Å; D172-L174 PolarHBondContact O-N 3.41Å; D172-L174 VanDerWaalsContact O-N 3.11Å; D172-L174 VanDerWaalsContact OD1-CA 3.25Å; D172-L174 WeakPolarHBondContact OD1-CA 3.41Å; D172-L174 WeakPolarHBondContact OD1-CB 3.48Å; D172-L174 PolarHBondContact OD1-N 3.45Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 3.38Å
175G92.2Very high92.7Very high3 Ų370 Ų703%0.03136%0.356CS..  trans6624.6-175.300000115.1F154 K160 C162 D172F154-G175 VanDerWaalsContact CG-CA 3.46Å; K160-G175 WeakPolarHBondContact CD-O 3.47Å; K160-G175 WeakPolarHBondContact CE-O 3.27Å; K160-G175 PolarHBondContact NZ-O 3.5Å; C162-G175 WeakPolarHBondContact CB-O 3.47Å; D172-G175 PolarHBondContact O-N 2.97Å; D172-G175 PolarHBondContact OD1-N 3.19Å
176N92.1Very high92.5Very high68 Ų6863.4 Ų63.436%0.36433%0.326SS..  trans-72.2147.5164.5-59-60.2000109.9K160 C171 D172 L174 L178K160-N176 VanDerWaalsContact NZ-CG 3.28Å; K160-N176 PolarHBondContact NZ-OD1 3.38Å; C171-N176 WeakPolarHBondContact CA-O 3.05Å; D172-N176 PolarHBondContact N-O 2.96Å; D172-N176 PolarHBondContact OD1-N 3.48Å; D172-N176 PolarHBondContact OD1-ND2 3.31Å; D172-N176 WeakPolarHBondContact OD2-CB 3.22Å; D172-N176 PolarHBondContact OD2-ND2 3.16Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 3.38Å; N176-L178 PolarHBondContact O-N 2.99Å
177M93.9Very high92.3Very high49 Ų4971 Ų7124%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-82.1114.1173.9-67.9167.946.900110.1Y169 M185 I191Y169-M177 HydrophobicContact CD1-CE 3.6Å; Y169-M177 HydrophobicContact CD2-CB 4.07Å; Y169-M177 HydrophobicContact CD2-CE 4.43Å; Y169-M177 HydrophobicContact CD2-CG 3.69Å; Y169-M177 HydrophobicContact CE1-CE 3.66Å; Y169-M177 HydrophobicContact CE1-SD 4.29Å; Y169-M177 HydrophobicContact CE2-CG 3.72Å; Y169-M177 HydrophobicContact CE2-SD 4.34Å; Y169-M177 HydrophobicContact CG-CB 4.2Å; Y169-M177 HydrophobicContact CG-CE 3.99Å; Y169-M177 HydrophobicContact CG-CG 4.11Å; M177-M185 HydrophobicContact CB-CE 4.15Å; M177-M185 WeakPolarHBondContact O-CE 3.42Å; M177-I191 HydrophobicContact CE-CB 4.5Å
178L94.1Very high92.1Very high94 Ų9474.1 Ų74.149%0.49237%0.369SS..EExtended strand (participates in β ladder)trans-98.6114.5170.3-60.2-178.2000108.8Y169 Q170 D172 N176Y169-L178 CarbonylContact C-O 3.58Å; Y169-L178 VanDerWaalsContact CA-O 3.27Å; Y169-L178 WeakPolarHBondContact CA-O 3.35Å; Y169-L178 WeakPolarHBondContact CB-O 3.05Å; Q170-L178 PolarHBondContact N-O 3.42Å; Q170-L178 PolarHBondContact O-N 3.39Å; D172-L178 HydrophobicContact CB-CD1 3.91Å; D172-L178 HydrophobicContact CB-CG 4.22Å; N176-L178 PolarHBondContact O-N 2.99Å
179C95.2Very high91.8Very high39 Ų3974 Ų7426%0.26437%0.37SS..EExtended strand (participates in β ladder)trans-66.5136.1-177.3-52.70000111.4Y184 M185 C192C179-Y184 VanDerWaalsContact SG-C 3.58Å; C179-M185 PolarHBondContact SG-N 3.45Å; C179-C192 WeakPolarHBondContact CA-SG 3.45Å; C179-C192 HydrophobicContact CB-CB 3.7Å; C179-C192 WeakPolarHBondContact CB-SG 3.45Å; C179-C192 VanDerWaalsContact SG-CA 3.57Å; C179-C192 WeakPolarHBondContact SG-CB 3.04Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.93Å
180K94.4Very high91.5Very high58 Ų5878.1 Ų78.125%0.25239%0.391SS..PPolyproline II helixtrans-71.8159.9177.5-70.2-173.1-157150.10111.1A166 I167 E168 Y169 Q170 G182 Y183A166-K180 PolarHBondContact O-NZ 3.06Å; I167-K180 VanDerWaalsContact O-CD 3.31Å; I167-K180 WeakPolarHBondContact O-CD 3.22Å; I167-K180 WeakPolarHBondContact O-CE 3.24Å; I167-K180 PolarHBondContact O-NZ 3.31Å; E168-K180 PolarHBondContact O-N 3.38Å; Y169-K180 WeakPolarHBondContact O-CE 3.32Å; Q170-K180 HydrophobicContact CG-CD 4.26Å; Q170-K180 HydrophobicContact CG-CG 3.95Å; K180-G182 PolarHBondContact O-N 3.07Å; K180-Y183 HydrophobicContact CB-CD2 4.3Å; K180-Y183 WeakPolarHBondContact O-CB 3.29Å; K180-Y183 PolarHBondContact O-N 3.32Å
181P92.5Very high91.3Very high129 Ų12976.1 Ų76.184%0.83838%0.383SS*.THydrogen-bonded Turntrans-50.9131.1173.5-27.836000112
182G90.5Very high91.1Very high14 Ų1475.3 Ų75.314%0.14438%0.377CS..THydrogen-bonded Turntrans89.33.6-17200000114.9K180 D195K180-G182 PolarHBondContact O-N 3.07Å; G182-D195 PolarHBondContact O-N 3.34Å
183Y92.5Very high91Very high67 Ų6775.4 Ų75.426%0.26338%0.376SS..EExtended strand (participates in β ladder)trans-126.1152.7172.2-63-100.8000111.2E168 K180 R193 L194E168-Y183 HydrophobicContact CB-CD1 3.62Å; E168-Y183 HydrophobicContact CB-CE1 3.59Å; E168-Y183 HydrophobicContact CB-CG 4.25Å; E168-Y183 HydrophobicContact CG-CD1 3.99Å; E168-Y183 HydrophobicContact CG-CE1 3.49Å; E168-Y183 VanDerWaalsContact CG-CE1 3.49Å; K180-Y183 HydrophobicContact CB-CD2 4.3Å; K180-Y183 WeakPolarHBondContact O-CB 3.29Å; K180-Y183 PolarHBondContact O-N 3.32Å; Y183-R193 CarbonylContact C-O 3.56Å; Y183-R193 WeakPolarHBondContact CA-O 3.34Å; Y183-R193 WeakPolarHBondContact CB-O 3.26Å; Y183-L194 HydrophobicContact CD1-CB 4.35Å; Y183-L194 HydrophobicContact CD1-CD1 4.22Å; Y183-L194 HydrophobicContact CE1-CB 4.18Å; Y183-L194 HydrophobicContact CE1-CD1 3.68Å; Y183-L194 HydrophobicContact CE2-CD1 4.08Å
184Y90.9Very high91Very high63 Ų6370.1 Ų70.125%0.24735%0.352CS..EExtended strand (participates in β ladder)trans-127153.7175.574.9-84.7000111.1C179 D186 C192 R193 D195 N212C179-Y184 VanDerWaalsContact SG-C 3.58Å; Y184-D186 HydrophobicContact CE2-CB 4.35Å; Y184-D186 PolarHBondContact O-N 3.03Å; Y184-C192 CarbonylContact O-C 3.47Å; Y184-C192 WeakPolarHBondContact O-CA 3.48Å; Y184-R193 HydrophobicContact CD1-CB 4.38Å; Y184-R193 VanDerWaalsContact CD1-O 3.3Å; Y184-R193 WeakPolarHBondContact CD1-O 3.35Å; Y184-R193 HydrophobicContact CE1-CB 3.79Å; Y184-R193 PolarHBondContact N-O 3.27Å; Y184-R193 PolarHBondContact O-N 3.43Å; Y184-D195 HydrophobicContact CD1-CB 4.15Å; Y184-N212 HydrophobicContact CE1-CB 3.89Å; Y184-N212 WeakPolarHBondContact CE1-ND2 3.44Å
185M92.2Very high90.9Very high64 Ų6466.7 Ų66.732%0.31533%0.334SS..EExtended strand (participates in β ladder)trans-78.9115.1176.2-176.964.878.500110.3M177 C179 Q187M177-M185 HydrophobicContact CB-CE 4.15Å; M177-M185 WeakPolarHBondContact O-CE 3.42Å; C179-M185 PolarHBondContact SG-N 3.45Å; M185-Q187 PolarHBondContact O-N 2.76Å; M185-Q187 VanDerWaalsContact O-N 3.14Å
186D89.4Confident90.8Very high21 Ų2167.1 Ų67.111%0.11234%0.336CS..EExtended strand (participates in β ladder)trans-74.4100.4169.3-172.8-44.6000108.5Y184 K188 L189 Q190 I191 R193Y184-D186 HydrophobicContact CE2-CB 4.35Å; Y184-D186 PolarHBondContact O-N 3.03Å; D186-K188 PolarHBondContact O-N 3.09Å; D186-K188 WeakPolarHBondContact OD1-CB 3.29Å; D186-K188 PolarHBondContact OD1-N 3.48Å; D186-L189 HydrophobicContact CB-CB 4.28Å; D186-L189 PolarHBondContact O-N 3.38Å; D186-L189 VanDerWaalsContact O-N 3.15Å; D186-L189 PolarHBondContact OD1-N 3.37Å; D186-L189 VanDerWaalsContact OD1-N 3.13Å; D186-Q190 WeakPolarHBondContact O-CA 3.14Å; D186-Q190 PolarHBondContact O-N 3.47Å; D186-I191 HydrophobicContact CB-CG1 4.44Å; D186-I191 PolarHBondContact N-O 2.74Å; D186-R193 HydrophobicContact CB-CG 3.96Å; D186-R193 WeakPolarHBondContact OD2-CD 3.48Å; D186-R193 IonicContact OD2-CZ 3.85Å; D186-R193 IonicContact OD2-NE 3.89Å; D186-R193 IonicContact OD2-NH1 3.67Å; D186-R193 PolarHBondContact OD2-NH1 2.9Å
187Q87.6Confident90.7Very high167 Ų16764.8 Ų64.878%0.7833%0.325SS*.THydrogen-bonded Turntrans-57.7-23.9-175.9-68.4-177.3-20.600113.8M185 Q190M185-Q187 PolarHBondContact O-N 2.76Å; M185-Q187 VanDerWaalsContact O-N 3.14Å; Q187-Q190 PolarHBondContact O-NE2 3.34Å
188K86.8Confident90.4Very high187 Ų18766.7 Ų66.781%0.81334%0.335SS*.THydrogen-bonded Turntrans-84.7-32.7-178.8-175.9176.7-179.1175.60112.3D186D186-K188 PolarHBondContact O-N 3.09Å; D186-K188 WeakPolarHBondContact OD1-CB 3.29Å; D186-K188 PolarHBondContact OD1-N 3.48Å
189L86.5Confident89.9Confident74 Ų7466.1 Ų66.139%0.38733%0.332SS..THydrogen-bonded Turntrans-101.5-15.1-178.4-63.4177.3000113.5D186 I191 I216D186-L189 HydrophobicContact CB-CB 4.28Å; D186-L189 PolarHBondContact O-N 3.38Å; D186-L189 VanDerWaalsContact O-N 3.15Å; D186-L189 PolarHBondContact OD1-N 3.37Å; D186-L189 VanDerWaalsContact OD1-N 3.13Å; L189-I191 HydrophobicContact CB-CD1 4.03Å; L189-I191 HydrophobicContact CB-CG1 3.77Å; L189-I191 HydrophobicContact CD1-CD1 4.01Å; L189-I191 HydrophobicContact CD1-CG1 4.46Å; L189-I191 PolarHBondContact O-N 2.94Å; L189-I216 HydrophobicContact CD1-CD1 3.83Å; L189-I216 HydrophobicContact CD1-CG1 4.17Å
190Q88.5Confident89.5Confident122 Ų12267.7 Ų67.757%0.5734%0.335SS*.THydrogen-bonded Turntrans55.338.8-174-61.7-68.3-49.900112.8D186 Q187D186-Q190 WeakPolarHBondContact O-CA 3.14Å; D186-Q190 PolarHBondContact O-N 3.47Å; Q187-Q190 PolarHBondContact O-NE2 3.34Å
191I89.9Confident89Confident74 Ų7472.6 Ų72.638%0.37936%0.357SS..EExtended strand (participates in β ladder)trans-127.8152.217665.5-179.5000110.9M177 D186 L189 R193M177-I191 HydrophobicContact CE-CB 4.5Å; D186-I191 HydrophobicContact CB-CG1 4.44Å; D186-I191 PolarHBondContact N-O 2.74Å; L189-I191 HydrophobicContact CB-CD1 4.03Å; L189-I191 HydrophobicContact CB-CG1 3.77Å; L189-I191 HydrophobicContact CD1-CD1 4.01Å; L189-I191 HydrophobicContact CD1-CG1 4.46Å; L189-I191 PolarHBondContact O-N 2.94Å; I191-R193 HydrophobicContact CD1-CG 4.22Å; I191-R193 HydrophobicContact CG1-CG 3.99Å
192C91.8Very high88.7Confident11 Ų1173.5 Ų73.57%0.07435%0.354CS..EExtended strand (participates in β ladder)trans-81119.6172.1-64.40000110.2E168 C179 Y184E168-C192 HydrophobicContact CB-CB 4.09Å; C179-C192 WeakPolarHBondContact CA-SG 3.45Å; C179-C192 HydrophobicContact CB-CB 3.7Å; C179-C192 WeakPolarHBondContact CB-SG 3.45Å; C179-C192 VanDerWaalsContact SG-CA 3.57Å; C179-C192 WeakPolarHBondContact SG-CB 3.04Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 2.93Å; Y184-C192 CarbonylContact O-C 3.47Å; Y184-C192 WeakPolarHBondContact O-CA 3.48Å
193R89.6Confident88.7Confident35 Ų3574.7 Ų74.713%0.13236%0.355CS..EExtended strand (participates in β ladder)trans-110.7150.5178.6-64.3-17668.8-174.5-3.7110.6Y183 Y184 D186 I191 D195 N213 P214 N215Y183-R193 CarbonylContact C-O 3.56Å; Y183-R193 WeakPolarHBondContact CA-O 3.34Å; Y183-R193 WeakPolarHBondContact CB-O 3.26Å; Y184-R193 HydrophobicContact CD1-CB 4.38Å; Y184-R193 VanDerWaalsContact CD1-O 3.3Å; Y184-R193 WeakPolarHBondContact CD1-O 3.35Å; Y184-R193 HydrophobicContact CE1-CB 3.79Å; Y184-R193 PolarHBondContact N-O 3.27Å; Y184-R193 PolarHBondContact O-N 3.43Å; D186-R193 HydrophobicContact CB-CG 3.96Å; D186-R193 WeakPolarHBondContact OD2-CD 3.48Å; D186-R193 IonicContact OD2-CZ 3.85Å; D186-R193 IonicContact OD2-NE 3.89Å; D186-R193 IonicContact OD2-NH1 3.67Å; D186-R193 PolarHBondContact OD2-NH1 2.9Å; I191-R193 HydrophobicContact CD1-CG 4.22Å; I191-R193 HydrophobicContact CG1-CG 3.99Å; R193-D195 PolarHBondContact O-N 3.48Å; R193-N213 PolarHBondContact NH2-O 2.98Å; R193-P214 PolarHBondContact NH1-O 3.05Å; R193-P214 PolarHBondContact NH2-O 3.43Å; R193-N215 PolarHBondContact NH2-O 2.86Å
194L89.3Confident88.8Confident48 Ų4872.4 Ų72.425%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-61.3129.4179.6-16674000110.9Y183 Q196 N199 D220Y183-L194 HydrophobicContact CD1-CB 4.35Å; Y183-L194 HydrophobicContact CD1-CD1 4.22Å; Y183-L194 HydrophobicContact CE1-CB 4.18Å; Y183-L194 HydrophobicContact CE1-CD1 3.68Å; Y183-L194 HydrophobicContact CE2-CD1 4.08Å; L194-Q196 VanDerWaalsContact C-N 3.35Å; L194-Q196 PolarHBondContact O-N 3.49Å; L194-Q196 VanDerWaalsContact O-N 3.07Å; L194-N199 WeakPolarHBondContact CD1-ND2 3.43Å; L194-N199 WeakPolarHBondContact CG-ND2 3.09Å; L194-D220 HydrophobicContact CD2-CB 4.34Å
195D89.8Confident88.8Confident13 Ų1372.6 Ų72.67%0.0735%0.354CS..  trans-81.286.8170.6-164.8-38.7000109.6G182 Y184 R193 C197 I198 N199 N212G182-D195 PolarHBondContact O-N 3.34Å; Y184-D195 HydrophobicContact CD1-CB 4.15Å; R193-D195 PolarHBondContact O-N 3.48Å; D195-C197 PolarHBondContact O-N 2.99Å; D195-C197 WeakPolarHBondContact OD1-CB 3.03Å; D195-C197 PolarHBondContact OD1-N 2.91Å; D195-C197 VanDerWaalsContact OD1-N 3.09Å; D195-I198 HydrophobicContact CB-CB 4.02Å; D195-I198 HydrophobicContact CB-CD1 3.94Å; D195-I198 HydrophobicContact CB-CG1 4.1Å; D195-I198 VanDerWaalsContact CG-CG1 3.48Å; D195-I198 PolarHBondContact O-N 2.94Å; D195-I198 PolarHBondContact OD1-N 3.46Å; D195-I198 WeakPolarHBondContact OD2-CD1 3.03Å; D195-N199 PolarHBondContact O-N 3.41Å; D195-N199 VanDerWaalsContact O-N 3.09Å; D195-N199 PolarHBondContact O-ND2 3.18Å; D195-N212 PolarHBondContact OD1-ND2 2.79Å; D195-N212 VanDerWaalsContact OD1-ND2 3.08Å; D195-N212 PolarHBondContact OD1-OD1 3.32Å; D195-N212 PolarHBondContact OD2-ND2 3.11Å
196Q89.2Confident88.8Confident12 Ų1272.8 Ų72.86%0.05636%0.356CS..Hα-helixtrans-57-31178.4-59.8176.9-29.600112.2L194 H200 N212 T219 D220 L221 P222L194-Q196 VanDerWaalsContact C-N 3.35Å; L194-Q196 PolarHBondContact O-N 3.49Å; L194-Q196 VanDerWaalsContact O-N 3.07Å; Q196-H200 VanDerWaalsContact O-CB 3.29Å; Q196-H200 WeakPolarHBondContact O-CB 3.5Å; Q196-H200 PolarHBondContact O-CD2 3.36Å; Q196-H200 PolarHBondContact O-N 2.85Å; Q196-N212 WeakPolarHBondContact CA-OD1 3.04Å; Q196-N212 WeakPolarHBondContact CB-OD1 3.45Å; Q196-N212 PolarHBondContact N-OD1 2.89Å; Q196-T219 PolarHBondContact NE2-O 3.44Å; Q196-D220 WeakPolarHBondContact CB-O 3.35Å; Q196-D220 VanDerWaalsContact CG-O 3.23Å; Q196-D220 WeakPolarHBondContact CG-O 3.43Å; Q196-L221 PolarHBondContact OE1-O 2.98Å; Q196-P222 HydrophobicContact CB-CB 3.8Å; Q196-P222 HydrophobicContact CB-CG 4.17Å
197C90.3Very high88.7Confident20 Ų2079 Ų7914%0.13539%0.389CS..Hα-helixtrans-77-34.1177.7-71.70000113.7D195 C210 M211 N212D195-C197 PolarHBondContact O-N 2.99Å; D195-C197 WeakPolarHBondContact OD1-CB 3.03Å; D195-C197 PolarHBondContact OD1-N 2.91Å; D195-C197 VanDerWaalsContact OD1-N 3.09Å; C197-C210 WeakPolarHBondContact CA-SG 3.44Å; C197-C210 HydrophobicContact CB-CB 3.91Å; C197-C210 WeakPolarHBondContact CB-SG 3.07Å; C197-C210 WeakPolarHBondContact SG-CB 3.31Å; C197-C210 CovalentContact SG-SG 2.04Å; C197-C210 PolarHBondContact SG-SG 3.25Å; C197-M211 PolarHBondContact SG-N 3.35Å; C197-N212 PolarHBondContact N-OD1 3.48Å
198I87.4Confident88.9Confident89 Ų8971.7 Ų71.746%0.45636%0.358SS..Hα-helixtrans-67-39170.5-71.6176.3000110.7D195 K201D195-I198 HydrophobicContact CB-CB 4.02Å; D195-I198 HydrophobicContact CB-CD1 3.94Å; D195-I198 HydrophobicContact CB-CG1 4.1Å; D195-I198 VanDerWaalsContact CG-CG1 3.48Å; D195-I198 PolarHBondContact O-N 2.94Å; D195-I198 PolarHBondContact OD1-N 3.46Å; D195-I198 WeakPolarHBondContact OD2-CD1 3.03Å; I198-K201 VanDerWaalsContact O-CE 3.27Å; I198-K201 WeakPolarHBondContact O-CE 3.41Å; I198-K201 WeakPolarHBondContact O-CG 3.43Å
199N84.4Confident89.2Confident81 Ų8167.5 Ų67.543%0.43334%0.344SS..Hα-helixtrans-77.3-42.3-178.6-67.5-28000112.6L194 D195 K201L194-N199 WeakPolarHBondContact CD1-ND2 3.43Å; L194-N199 WeakPolarHBondContact CG-ND2 3.09Å; D195-N199 PolarHBondContact O-N 3.41Å; D195-N199 VanDerWaalsContact O-N 3.09Å; D195-N199 PolarHBondContact O-ND2 3.18Å; N199-K201 PolarHBondContact O-N 3.5Å
200H86.1Confident89.5Confident72 Ų7265.7 Ų65.733%0.33334%0.338SS..SBendtrans-99.559.3179.3-63.3-72.9000112.5Q196 N202 Y203 D220 P222Q196-H200 VanDerWaalsContact O-CB 3.29Å; Q196-H200 WeakPolarHBondContact O-CB 3.5Å; Q196-H200 PolarHBondContact O-CD2 3.36Å; Q196-H200 PolarHBondContact O-N 2.85Å; H200-N202 PolarHBondContact O-N 3.47Å; H200-Y203 HydrophobicContact CB-CG 4.46Å; H200-Y203 WeakPolarHBondContact O-CB 3.4Å; H200-Y203 PolarHBondContact O-N 3.26Å; H200-D220 PolarHBondContact CD2-O 3.4Å; H200-D220 VanDerWaalsContact CD2-O 3.27Å; H200-D220 PolarHBondContact NE2-O 3.02Å; H200-P222 HydrophobicContact CB-CG 4.16Å
201K83.9Confident89.6Confident162 Ų16263.5 Ų63.570%0.70433%0.328SS*.THydrogen-bonded Turntrans-53.5136.6173.8-61.2-176.5-178.6176.10110.9I198 N199 Y203I198-K201 VanDerWaalsContact O-CE 3.27Å; I198-K201 WeakPolarHBondContact O-CE 3.41Å; I198-K201 WeakPolarHBondContact O-CG 3.43Å; N199-K201 PolarHBondContact O-N 3.5Å; K201-Y203 PolarHBondContact O-N 2.95Å
202N86.5Confident89.5Confident147 Ų14761 Ų6179%0.78632%0.316SS*.THydrogen-bonded Turntrans59.223.6-176.3-51.4-32.7000114.8H200H200-N202 PolarHBondContact O-N 3.47Å
203Y91Very high89.2Confident40 Ų4061.7 Ų61.716%0.15732%0.318CS..  trans-61.1-50.1171.2-177.7-104.7000111.5H200 K201 L221 P222 C224 R234H200-Y203 HydrophobicContact CB-CG 4.46Å; H200-Y203 WeakPolarHBondContact O-CB 3.4Å; H200-Y203 PolarHBondContact O-N 3.26Å; K201-Y203 PolarHBondContact O-N 2.95Å; Y203-L221 HydrophobicContact CE2-CD2 4.08Å; Y203-P222 HydrophobicContact CD1-CG 3.71Å; Y203-P222 HydrophobicContact CE1-CG 4.22Å; Y203-P222 WeakPolarHBondContact CE1-O 3.31Å; Y203-P222 HydrophobicContact CG-CG 4.07Å; Y203-C224 VanDerWaalsContact CD1-SG 3.55Å; Y203-R234 HydrophobicContact CD1-CG 4.3Å; Y203-R234 HydrophobicContact CE1-CG 3.81Å; Y203-R234 HydrophobicContact CE2-CG 4.05Å; Y203-R234 VanDerWaalsContact O-CZ 3.24Å; Y203-R234 PolarHBondContact O-NE 3.02Å; Y203-R234 PolarHBondContact O-NH2 3.19Å
204C92.8Very high88.8Confident19 Ų1964.4 Ų64.413%0.12834%0.341CS..SBendtrans-75.8127.8174.7-52.90000110.9G208 C210 C224C204-G208 VanDerWaalsContact CB-O 3.22Å; C204-G208 WeakPolarHBondContact CB-O 3.3Å; C204-C210 VanDerWaalsContact SG-CA 3.57Å; C204-C224 WeakPolarHBondContact CA-SG 3.49Å; C204-C224 HydrophobicContact CB-CB 3.83Å; C204-C224 WeakPolarHBondContact CB-SG 3.46Å; C204-C224 VanDerWaalsContact SG-CA 3.5Å; C204-C224 WeakPolarHBondContact SG-CB 3.49Å; C204-C224 CovalentContact SG-SG 2.04Å; C204-C224 PolarHBondContact SG-SG 2.62Å
205L92.2Very high88.3Confident67 Ų6766.1 Ų66.135%0.35135%0.35SS..  trans-94.4171.9179-52179.3000110.4N207 G208 R234 E236L205-N207 PolarHBondContact O-N 3.42Å; L205-N207 VanDerWaalsContact O-N 3.1Å; L205-G208 PolarHBondContact O-N 2.94Å; L205-R234 VanDerWaalsContact CB-O 3.31Å; L205-R234 WeakPolarHBondContact CB-O 3.27Å; L205-R234 HydrophobicContact CG-CB 4.43Å; L205-R234 PolarHBondContact N-O 3Å; L205-E236 HydrophobicContact CD1-CB 4.07Å
206N91.8Very high87.2Confident67 Ų6770.8 Ų70.836%0.35837%0.374SS..THydrogen-bonded Turntrans51.639169.2-61.1-40.4000114.7G208 Y230 C235N206-G208 VanDerWaalsContact C-N 3.27Å; N206-G208 PolarHBondContact O-N 2.82Å; N206-Y230 HydrophobicContact CB-CD1 3.75Å; N206-Y230 HydrophobicContact CB-CD2 3.88Å; N206-Y230 HydrophobicContact CB-CE1 3.72Å; N206-Y230 HydrophobicContact CB-CE2 3.84Å; N206-Y230 HydrophobicContact CB-CG 3.84Å; N206-C235 PolarHBondContact ND2-O 2.99Å
207N87.4Confident86.2Confident152 Ų15277.3 Ų77.381%0.81341%0.409SS*.THydrogen-bonded Turntrans56.735.4-175.5-55.90.3000113.7L205L205-N207 PolarHBondContact O-N 3.42Å; L205-N207 VanDerWaalsContact O-N 3.1Å
208G91.2Very high84.8Confident13 Ų1377.6 Ų77.613%0.13441%0.413CS..PPolyproline II helixtrans-69.5136.7164.200000111.4C204 L205 N206 I225C204-G208 VanDerWaalsContact CB-O 3.22Å; C204-G208 WeakPolarHBondContact CB-O 3.3Å; L205-G208 PolarHBondContact O-N 2.94Å; N206-G208 VanDerWaalsContact C-N 3.27Å; N206-G208 PolarHBondContact O-N 2.82Å; G208-I225 CarbonylContact C-O 3.56Å; G208-I225 VanDerWaalsContact CA-O 3.22Å; G208-I225 WeakPolarHBondContact CA-O 3.25Å
209L93Very high83.5Confident100 Ų10078.2 Ų78.252%0.52442%0.421SS..EExtended strand (participates in β ladder)trans-79125.5176.2178.267.2000109.6C224 I225L209-C224 CarbonylContact O-C 3.43Å; L209-C224 WeakPolarHBondContact O-CA 3.08Å; L209-I225 HydrophobicContact CB-CB 4.37Å; L209-I225 PolarHBondContact N-O 2.9Å; L209-I225 PolarHBondContact O-N 3.29Å
210C92.5Very high82.8Confident36 Ų3679 Ų7924%0.24343%0.425CS..EExtended strand (participates in β ladder)trans-76139.1174.4-1680000110.9C197 C204 P222C197-C210 WeakPolarHBondContact CA-SG 3.44Å; C197-C210 HydrophobicContact CB-CB 3.91Å; C197-C210 WeakPolarHBondContact CB-SG 3.07Å; C197-C210 WeakPolarHBondContact SG-CB 3.31Å; C197-C210 CovalentContact SG-SG 2.04Å; C197-C210 PolarHBondContact SG-SG 3.25Å; C204-C210 VanDerWaalsContact SG-CA 3.57Å; C210-P222 VanDerWaalsContact SG-CB 3.55Å
211M91Very high82.8Confident75 Ų7579.2 Ų79.237%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-135.4137.6170.6-66.2-174.17000110.6C197 P222 L223 I225C197-M211 PolarHBondContact SG-N 3.35Å; M211-P222 WeakPolarHBondContact O-CB 3.34Å; M211-L223 PolarHBondContact N-O 2.04Å; M211-L223 PolarHBondContact O-N 2.96Å; M211-I225 HydrophobicContact SD-CD1 3.37Å; M211-I225 WeakPolarHBondContact SD-CD1 3.26Å; M211-I225 HydrophobicContact SD-CG1 3.86Å
212N88.4Confident83.1Confident22 Ų2271.7 Ų71.712%0.11840%0.396CS..  trans-64.1139.2172.4-66.3-32.8000110.2Y184 D195 Q196 C197 P214Y184-N212 HydrophobicContact CE1-CB 3.89Å; Y184-N212 WeakPolarHBondContact CE1-ND2 3.44Å; D195-N212 PolarHBondContact OD1-ND2 2.79Å; D195-N212 VanDerWaalsContact OD1-ND2 3.08Å; D195-N212 PolarHBondContact OD1-OD1 3.32Å; D195-N212 PolarHBondContact OD2-ND2 3.11Å; Q196-N212 WeakPolarHBondContact CA-OD1 3.04Å; Q196-N212 WeakPolarHBondContact CB-OD1 3.45Å; Q196-N212 PolarHBondContact N-OD1 2.89Å; C197-N212 PolarHBondContact N-OD1 3.48Å; N212-P214 WeakPolarHBondContact O-CD 3.41Å
213N86.1Confident83.3Confident25 Ų2568.6 Ų68.613%0.13438%0.379CS..  trans-71.6120.1-171.8-163.5-30.9000110.4R193 N215 A218 L223R193-N213 PolarHBondContact NH2-O 2.98Å; N213-N215 VanDerWaalsContact C-N 3.26Å; N213-N215 PolarHBondContact O-N 2.91Å; N213-N215 PolarHBondContact OD1-N 2.8Å; N213-A218 HydrophobicContact CB-CB 4.42Å; N213-A218 WeakPolarHBondContact ND2-CB 3.18Å; N213-L223 HydrophobicContact CB-CG 4.35Å
214P81.1Confident83.4Confident92 Ų9267.8 Ų67.860%0.59738%0.379SS*.  trans-68.8-26.3-174.426.7-34.5000112.5R193 N212R193-P214 PolarHBondContact NH1-O 3.05Å; R193-P214 PolarHBondContact NH2-O 3.43Å; N212-P214 WeakPolarHBondContact O-CD 3.41Å
215N77.8Confident83.4Confident84 Ų8471.5 Ų71.545%0.44940%0.397SS..  trans-68.1135.1179.5-174.519.8000111.2R193 N213 D217 A218R193-N215 PolarHBondContact NH2-O 2.86Å; N213-N215 VanDerWaalsContact C-N 3.26Å; N213-N215 PolarHBondContact O-N 2.91Å; N213-N215 PolarHBondContact OD1-N 2.8Å; N215-D217 PolarHBondContact OD1-N 2.83Å; N215-A218 HydrophobicContact CB-CB 3.87Å
216I67.6Low83.5Confident112 Ų11270.1 Ų70.157%0.57439%0.392SS*.THydrogen-bonded Turntrans-74.2-39.4-177.5-56.6172.5000110.2L189 A218L189-I216 HydrophobicContact CD1-CD1 3.83Å; L189-I216 HydrophobicContact CD1-CG1 4.17Å; I216-A218 VanDerWaalsContact C-N 3.26Å; I216-A218 PolarHBondContact O-N 2.95Å
217D67Low83.5Confident148 Ų14869.6 Ų69.679%0.79139%0.394SS*.THydrogen-bonded Turntrans-83.31.5-177.8-53.3-36.5000113.4N215N215-D217 PolarHBondContact OD1-N 2.83Å
218A60.9Low83.5Confident27 Ų2767.3 Ų67.322%0.22339%0.39CS..SBendtrans-82.2128.3-179.600000111N213 N215 I216N213-A218 HydrophobicContact CB-CB 4.42Å; N213-A218 WeakPolarHBondContact ND2-CB 3.18Å; N215-A218 HydrophobicContact CB-CB 3.87Å; I216-A218 VanDerWaalsContact C-N 3.26Å; I216-A218 PolarHBondContact O-N 2.95Å
219T60.9Low83.5Confident102 Ų10270.2 Ų70.263%0.62640%0.402SS*.  trans-51.1159.9171.651.30000112.2Q196 L221Q196-T219 PolarHBondContact NE2-O 3.44Å; T219-L221 PolarHBondContact O-N 3.31Å
220D70Confident83.5Confident96 Ų9669 Ų6951%0.51339%0.391SS..SBendtrans-58.94.4-163.3-49.6-78.4000117.6L194 Q196 H200L194-D220 HydrophobicContact CD2-CB 4.34Å; Q196-D220 WeakPolarHBondContact CB-O 3.35Å; Q196-D220 VanDerWaalsContact CG-O 3.23Å; Q196-D220 WeakPolarHBondContact CG-O 3.43Å; H200-D220 PolarHBondContact CD2-O 3.4Å; H200-D220 VanDerWaalsContact CD2-O 3.27Å; H200-D220 PolarHBondContact NE2-O 3.02Å
221L85.3Confident83.4Confident78 Ų7873.1 Ų73.141%0.40841%0.405SS..PPolyproline II helixtrans-81.1125.5-179.4-59.7175.2000111.6Q196 Y203 T219Q196-L221 PolarHBondContact OE1-O 2.98Å; Y203-L221 HydrophobicContact CE2-CD2 4.08Å; T219-L221 PolarHBondContact O-N 3.31Å
222P90.1Very high83.4Confident4 Ų471.4 Ų71.43%0.02641%0.406CS..PPolyproline II helixtrans-73.6168.3175.329.8-30.9000112.2Q196 H200 Y203 C210 M211Q196-P222 HydrophobicContact CB-CB 3.8Å; Q196-P222 HydrophobicContact CB-CG 4.17Å; H200-P222 HydrophobicContact CB-CG 4.16Å; Y203-P222 HydrophobicContact CD1-CG 3.71Å; Y203-P222 HydrophobicContact CE1-CG 4.22Å; Y203-P222 WeakPolarHBondContact CE1-O 3.31Å; Y203-P222 HydrophobicContact CG-CG 4.07Å; C210-P222 VanDerWaalsContact SG-CB 3.55Å; M211-P222 WeakPolarHBondContact O-CB 3.34Å
223L90.8Very high83.4Confident82 Ų8277.3 Ų77.343%0.42944%0.437SS..EExtended strand (participates in β ladder)trans-92.9156.4172-61.5176.8000111M211 N213M211-L223 PolarHBondContact N-O 2.04Å; M211-L223 PolarHBondContact O-N 2.96Å; N213-L223 HydrophobicContact CB-CG 4.35Å
224C93.5Very high83.8Confident22 Ų2280.6 Ų80.615%0.14945%0.447CS..EExtended strand (participates in β ladder)trans-124121.6176.4-62.60000111.3Y203 C204 L209Y203-C224 VanDerWaalsContact CD1-SG 3.55Å; C204-C224 WeakPolarHBondContact CA-SG 3.49Å; C204-C224 HydrophobicContact CB-CB 3.83Å; C204-C224 WeakPolarHBondContact CB-SG 3.46Å; C204-C224 VanDerWaalsContact SG-CA 3.5Å; C204-C224 WeakPolarHBondContact SG-CB 3.49Å; C204-C224 CovalentContact SG-SG 2.04Å; C204-C224 PolarHBondContact SG-SG 2.62Å; L209-C224 CarbonylContact O-C 3.43Å; L209-C224 WeakPolarHBondContact O-CA 3.08Å
225I93.7Very high84.4Confident98 Ų9876.2 Ų76.250%0.50342%0.419SS..EExtended strand (participates in β ladder)trans-85.3118164.6-66.9-173.9000108.4G208 L209 M211G208-I225 CarbonylContact C-O 3.56Å; G208-I225 VanDerWaalsContact CA-O 3.22Å; G208-I225 WeakPolarHBondContact CA-O 3.25Å; L209-I225 HydrophobicContact CB-CB 4.37Å; L209-I225 PolarHBondContact N-O 2.9Å; L209-I225 PolarHBondContact O-N 3.29Å; M211-I225 HydrophobicContact SD-CD1 3.37Å; M211-I225 WeakPolarHBondContact SD-CD1 3.26Å; M211-I225 HydrophobicContact SD-CG1 3.86Å
226C93.7Very high85.1Confident37 Ų3776.6 Ų76.625%0.2542%0.418CS..PPolyproline II helixtrans-85.4140.4-178.2-53.70000112.6Y230 C235C226-Y230 WeakPolarHBondContact CB-O 3.3Å; C226-C235 WeakPolarHBondContact CA-SG 3.33Å; C226-C235 HydrophobicContact CB-CB 3.75Å; C226-C235 WeakPolarHBondContact CB-SG 3.43Å; C226-C235 WeakPolarHBondContact SG-CA 3.35Å; C226-C235 WeakPolarHBondContact SG-CB 3.39Å; C226-C235 CovalentContact SG-SG 2.04Å; C226-C235 PolarHBondContact SG-SG 3.05Å
227S90.7Very high86.2Confident57 Ų5773.8 Ų73.840%0.39941%0.408SS..PPolyproline II helixtrans-55.9144.7161.6-75.90000110N229 Y230S227-N229 PolarHBondContact O-N 3.08Å; S227-Y230 PolarHBondContact O-N 2.9Å
228S88.7Confident87.2Confident104 Ų10473.7 Ų73.773%0.72740%0.401SS*.THydrogen-bonded Turntrans-50.4-28.6-17054.80000116.3Y230 T239S228-Y230 VanDerWaalsContact C-N 3.26Å; S228-Y230 PolarHBondContact O-N 3.18Å; S228-T239 PolarHBondContact O-OG1 2.88Å
229N90.6Very high88.2Confident74 Ų7474.5 Ų74.540%0.39640%0.403SS..THydrogen-bonded Turntrans-803.3176.8-68.5-51.3000114.5S227 K238 T239S227-N229 PolarHBondContact O-N 3.08Å; N229-K238 CarbonylContact O-C 3.59Å; N229-K238 WeakPolarHBondContact O-CA 3.37Å; N229-K238 WeakPolarHBondContact O-CG 3.39Å; N229-T239 PolarHBondContact O-N 3.02Å
230Y92.9Very high88.8Confident73 Ų7377.8 Ų77.829%0.28641%0.412SS..EExtended strand (participates in β ladder)trans-136.1156.9-176.4-62.1-80.4000113.1N206 C226 S227 S228 S237 K238 T239N206-Y230 HydrophobicContact CB-CD1 3.75Å; N206-Y230 HydrophobicContact CB-CD2 3.88Å; N206-Y230 HydrophobicContact CB-CE1 3.72Å; N206-Y230 HydrophobicContact CB-CE2 3.84Å; N206-Y230 HydrophobicContact CB-CG 3.84Å; C226-Y230 WeakPolarHBondContact CB-O 3.3Å; S227-Y230 PolarHBondContact O-N 2.9Å; S228-Y230 VanDerWaalsContact C-N 3.26Å; S228-Y230 PolarHBondContact O-N 3.18Å; Y230-S237 CarbonylContact C-O 3.49Å; Y230-S237 VanDerWaalsContact CA-O 3.26Å; Y230-S237 WeakPolarHBondContact CA-O 3.18Å; Y230-K238 HydrophobicContact CD1-CB 4.41Å; Y230-K238 HydrophobicContact CE1-CB 4.34Å; Y230-K238 HydrophobicContact CE1-CG 4.36Å; Y230-T239 PolarHBondContact N-OG1 3.28Å
231K91.4Very high88.3Confident124 Ų12478.7 Ų78.754%0.53942%0.415SS..EExtended strand (participates in β ladder)trans-149.7172179.366176.6-176.4172.30110.4C235 E236 S237K231-C235 CarbonylContact O-C 3.56Å; K231-E236 PolarHBondContact O-N 3.24Å; K231-S237 PolarHBondContact N-O 3.39Å; K231-S237 WeakPolarHBondContact O-CB 3.04Å; K231-S237 PolarHBondContact O-N 3.17Å
232G89.8Confident86.6Confident38 Ų3881.1 Ų81.139%0.39243%0.427SS..SBendtrans104.5168.3-177.100000112.3R234 C235 E236G232-R234 PolarHBondContact O-N 2.91Å; G232-C235 PolarHBondContact O-N 3.49Å; G232-E236 WeakPolarHBondContact CA-OE1 3.42Å
233L89.7Confident84.4Confident146 Ų14685.8 Ų85.876%0.76446%0.456SS*.THydrogen-bonded Turntrans-66.7-23.9-171.3-69.8173.2000113.3E236L233-E236 PolarHBondContact N-OE1 3.48Å; L233-E236 PolarHBondContact N-OE2 3.25Å
234R92.8Very high82Confident94 Ų9487.4 Ų87.436%0.35547%0.465SS..THydrogen-bonded Turntrans-124.617.5179.1-61.3-179.360-168.2-5.2111.4Y203 L205 G232 E236Y203-R234 HydrophobicContact CD1-CG 4.3Å; Y203-R234 HydrophobicContact CE1-CG 3.81Å; Y203-R234 HydrophobicContact CE2-CG 4.05Å; Y203-R234 VanDerWaalsContact O-CZ 3.24Å; Y203-R234 PolarHBondContact O-NE 3.02Å; Y203-R234 PolarHBondContact O-NH2 3.19Å; L205-R234 VanDerWaalsContact CB-O 3.31Å; L205-R234 WeakPolarHBondContact CB-O 3.27Å; L205-R234 HydrophobicContact CG-CB 4.43Å; L205-R234 PolarHBondContact N-O 3Å; G232-R234 PolarHBondContact O-N 2.91Å; R234-E236 VanDerWaalsContact C-OE2 3.28Å; R234-E236 VanDerWaalsContact CA-OE2 3.31Å; R234-E236 WeakPolarHBondContact CA-OE2 3.48Å; R234-E236 PolarHBondContact N-OE2 3.49Å; R234-E236 PolarHBondContact O-N 3.22Å
235C93.6Very high79.5Confident0 Ų096.7 Ų96.70%050%0.497CS..SBendtrans60.726.2-174.8-48.40000114.6N206 C226 K231 G232 S237N206-C235 PolarHBondContact ND2-O 2.99Å; C226-C235 WeakPolarHBondContact CA-SG 3.33Å; C226-C235 HydrophobicContact CB-CB 3.75Å; C226-C235 WeakPolarHBondContact CB-SG 3.43Å; C226-C235 WeakPolarHBondContact SG-CA 3.35Å; C226-C235 WeakPolarHBondContact SG-CB 3.39Å; C226-C235 CovalentContact SG-SG 2.04Å; C226-C235 PolarHBondContact SG-SG 3.05Å; K231-C235 CarbonylContact O-C 3.56Å; G232-C235 PolarHBondContact O-N 3.49Å; C235-S237 PolarHBondContact O-N 2.94Å
236E93.4Very high77Confident92 Ų9298.8 Ų98.843%0.4351%0.508SS..  trans-68.5-28.1-174.867.3-7717800114.4L205 K231 G232 L233 R234L205-E236 HydrophobicContact CD1-CB 4.07Å; K231-E236 PolarHBondContact O-N 3.24Å; G232-E236 WeakPolarHBondContact CA-OE1 3.42Å; L233-E236 PolarHBondContact N-OE1 3.48Å; L233-E236 PolarHBondContact N-OE2 3.25Å; R234-E236 VanDerWaalsContact C-OE2 3.28Å; R234-E236 VanDerWaalsContact CA-OE2 3.31Å; R234-E236 WeakPolarHBondContact CA-OE2 3.48Å; R234-E236 PolarHBondContact N-OE2 3.49Å; R234-E236 PolarHBondContact O-N 3.22Å
237S91.5Very high74.6Confident53 Ų53100.8 Ų100.837%0.37152%0.519SS..EExtended strand (participates in β ladder)trans-103.1134.4-172.8-71.30000111.8Y230 K231 C235Y230-S237 CarbonylContact C-O 3.49Å; Y230-S237 VanDerWaalsContact CA-O 3.26Å; Y230-S237 WeakPolarHBondContact CA-O 3.18Å; K231-S237 PolarHBondContact N-O 3.39Å; K231-S237 WeakPolarHBondContact O-CB 3.04Å; K231-S237 PolarHBondContact O-N 3.17Å; C235-S237 PolarHBondContact O-N 2.94Å
238K88.1Confident72.1Confident146 Ų146102.4 Ų102.464%0.63553%0.53SS*.EExtended strand (participates in β ladder)trans-73.3136.8173.3-164.2173.5-176.9173.40111.3N229 Y230 Q240N229-K238 CarbonylContact O-C 3.59Å; N229-K238 WeakPolarHBondContact O-CA 3.37Å; N229-K238 WeakPolarHBondContact O-CG 3.39Å; Y230-K238 HydrophobicContact CD1-CB 4.41Å; Y230-K238 HydrophobicContact CE1-CB 4.34Å; Y230-K238 HydrophobicContact CE1-CG 4.36Å; K238-Q240 PolarHBondContact O-N 2.91Å
239T81.5Confident69.9Low44 Ų44104.3 Ų104.327%0.2753%0.528SS..  trans-71.1109.3169.8-57.90000108.9S228 N229 Y230 I241S228-T239 PolarHBondContact O-OG1 2.88Å; N229-T239 PolarHBondContact O-N 3.02Å; Y230-T239 PolarHBondContact N-OG1 3.28Å; T239-I241 HydrophobicContact CG2-CG1 4.39Å; T239-I241 PolarHBondContact O-N 3.48Å
240Q72.4Confident67.5Low172 Ų172107 Ų10780%0.80454%0.542SS*.  trans-70.496.9166.8-75.7-177.6-16.600108.7K238 I242K238-Q240 PolarHBondContact O-N 2.91Å; Q240-I242 VanDerWaalsContact C-N 3.31Å; Q240-I242 PolarHBondContact O-N 2.85Å
241I59.4Low65Low114 Ų114110 Ų11059%0.58556%0.562SS**  trans-69.794.4166.3-55.6176000106.7T239 T243T239-I241 HydrophobicContact CG2-CG1 4.39Å; T239-I241 PolarHBondContact O-N 3.48Å; I241-T243 VanDerWaalsContact C-N 3.28Å; I241-T243 HydrophobicContact CG2-CG2 4.06Å; I241-T243 PolarHBondContact O-N 2.9Å
242I50.9Low62.5Low130 Ų130110.5 Ų110.567%0.66757%0.571SS**  trans-68.594.8165.8-59177.4000106.3Q240 N244Q240-I242 VanDerWaalsContact C-N 3.31Å; Q240-I242 PolarHBondContact O-N 2.85Å; I242-N244 PolarHBondContact O-N 3.3Å
243T44.1Very low60.2Low101 Ų101115.2 Ų115.262%0.6259%0.587SS**  trans-67.7115.5167.143.60000107.5I241 R245I241-T243 VanDerWaalsContact C-N 3.28Å; I241-T243 HydrophobicContact CG2-CG2 4.06Å; I241-T243 PolarHBondContact O-N 2.9Å; T243-R245 PolarHBondContact O-N 2.97Å
244N40.6Very low57.5Low116 Ų116115.6 Ų115.662%0.6259%0.589SS**G310 helixtrans-65.215.2-178.1-76.9-14.6000114.7I242 L246 V247I242-N244 PolarHBondContact O-N 3.3Å; N244-L246 PolarHBondContact O-N 3.46Å; N244-V247 PolarHBondContact O-N 2.85Å
245R39.7Very low54.8Low218 Ų218116.9 Ų116.982%0.82361%0.61SS**G310 helixtrans-68.9-9.5-179.7-148.7173.6-167.6166.75.2113.8T243T243-R245 PolarHBondContact O-N 2.97Å
246L41.6Very low51.7Low141 Ų141124.2 Ų124.274%0.73865%0.648SS**G310 helixtrans-107.1-3.8173.8-75.4167.8000114.3N244N244-L246 PolarHBondContact O-N 3.46Å
247V42.5Very low49Very low80 Ų80130 Ų13049%0.48567%0.672SS.*THydrogen-bonded Turntrans-92.7-29.3177.7-1770000111.4N244 E249N244-V247 PolarHBondContact O-N 2.85Å; V247-E249 VanDerWaalsContact C-N 3.33Å; V247-E249 PolarHBondContact O-N 2.81Å
248S38.3Very low46.1Very low90 Ų90132.5 Ų132.563%0.62969%0.685SS**THydrogen-bonded Turntrans-76.8-9.9-174.4-162.10000115.6
249E42.4Very low43.6Very low144 Ų144131.4 Ų131.467%0.67369%0.686SS**THydrogen-bonded Turntrans-101.8-24.9-177.8-67.1-176.914800113.2V247V247-E249 VanDerWaalsContact C-N 3.33Å; V247-E249 PolarHBondContact O-N 2.81Å
250N40.6Very low41.3Very low132 Ų132137 Ų13771%0.70671%0.709SS**THydrogen-bonded Turntrans-91.5-7.9-179.9-81.8-49.7000114.7
251L40.2Very low39.3Very low135 Ų135137.7 Ų137.771%0.70771%0.71SS**G310 helixtrans-81.4-11.9-179.5-123.874.1000114.4N253L251-N253 PolarHBondContact O-N 2.81Å
252N40Very low37.9Very low134 Ų134138.8 Ų138.872%0.71772%0.717SS**G310 helixtrans-85-3-171.7-65.2-24.9000114.6
253N40.3Very low36.9Very low138 Ų138142.5 Ų142.574%0.73873%0.728SS**G310 helixtrans-113.818.4-168.1-75.6-20.2000115L251L251-N253 PolarHBondContact O-N 2.81Å
254L33.8Very low36.3Very low154 Ų154143.6 Ų143.681%0.80674%0.735SS**SBendtrans-124.9124.1175.3-14071.8000111
255P35.4Very low35.7Very low121 Ų121146.6 Ų146.679%0.78675%0.751SS**  trans-72.3144.1-170.628.2-35.2000112.8K257P255-K257 PolarHBondContact O-N 3.46Å
256L30.1Very low35.1Very low154 Ų154141.2 Ų141.281%0.80675%0.747SS**  trans-59.9131.8179.2-75.972.3000111.5T258L256-T258 HydrophobicContact CD2-CG2 4.3Å
257K35.6Very low34.6Very low212 Ų212142.6 Ų142.692%0.92275%0.754SS**  trans-110.7115.6140.8-83.3-168.8172.8-176.50108.5P255P255-K257 PolarHBondContact O-N 3.46Å
258T31.6Very low34.1Very low107 Ų107146.1 Ų146.166%0.65677%0.765SS**  trans-75.4135176.553.60000110L256L256-T258 HydrophobicContact CD2-CG2 4.3Å
259N34.3Very low33.7Very low122 Ų122151.5 Ų151.565%0.65278%0.78SS**  -178143.4106.6-91.418.2000111.3
260E33.5Very low33.2Very low161 Ų161150.3 Ų150.375%0.75277%0.773SS**  trans40.2112.4141-55.4170.4121.300119.3
261F31.2Very low32.8Very low188 Ų188151.1 Ų151.183%0.82578%0.777SS**  -170.2161.8107.6-118-116.4000112.7
262N30Very low32.4Very low136 Ų136153.2 Ų153.273%0.72779%0.788SS**  trans6180.1160.2-67.2-12.7000121.4T264N262-T264 PolarHBondContact O-N 2.71Å
263K29.9Very low31.9Very low208 Ų208156.5 Ų156.590%0.90480%0.796SS**  trans-63.196.6149172.9-161.9-179.4-179.80112.5
264T31.7Very low31.3Very low125 Ų125157.3 Ų157.377%0.76780%0.8SS**  trans-161101155.240.60000112.8N262N262-T264 PolarHBondContact O-N 2.71Å
265N27.7Very low31.4Very low178 Ų178158.3 Ų158.395%0.95281%0.805SS**  trans-97.290.8165.8-88.3-9.3000110.3
266S26.4Very low31.3Very low105 Ų105157.8 Ų157.873%0.73480%0.8SS**  trans-170.597.8159.2-172.70000111.3
267L31.9Very low31.2Very low171 Ų171160.5 Ų160.590%0.89581%0.805SS**  trans-146.5113.7155.3-90.3115.5000108.5
268H31.1Very low31.1Very low153 Ų153156.7 Ų156.771%0.70880%0.799SS**  88.178.176.7-127.1-85.6000113.6K270H268-K270 PolarHBondContact O-N 3.25Å
269H30.6Very low30.9Very low204 Ų204158 Ų15894%0.94481%0.807SS**  trans-90.275173.6-139.6-68.4000110.7
270K31.7Very low30.9Very low119 Ų119159.8 Ų159.852%0.51782%0.817SS.*  trans-144.6151.2170.2-96.5-173.7178.3-179.10110H268 N681H268-K270 PolarHBondContact O-N 3.25Å; K270-N681 PolarHBondContact NZ-O 3.46Å
271N31.3Very low30.7Very low148 Ų148159.2 Ų159.279%0.79182%0.819SS**  trans70.698.9173.4-53-4.6000116.3
272L31.7Very low31Very low180 Ų180158.3 Ų158.394%0.94282%0.821SS**  trans-135.145.3152.7-143.194.9000111.8
273F30.2Very low31Very low202 Ų202158.2 Ų158.289%0.88682%0.82SS**  trans-130.391167.7-99.9-82.7000108.2
274N28.3Very low31.1Very low156 Ų156157.1 Ų157.183%0.83482%0.818SS**  trans169.296.4156-92.5-15.8000108.8
275I34.9Very low31.1Very low175 Ų175160.4 Ų160.490%0.89782%0.822SS**  trans-125.492.8156.4-60.8-177.3000106.2
276T33.3Very low31.5Very low110 Ų110157 Ų15768%0.67581%0.809SS**  trans-65.6153.4172.337.30000111.1T278T276-T278 PolarHBondContact O-N 3.07Å
277K28.5Very low31.8Very low211 Ų211160.4 Ų160.492%0.91781%0.811SS**  trans-58.9126.2168.3-67.6173.9177.5173.70110.3
278T32.5Very low32.1Very low132 Ų132158.5 Ų158.581%0.8180%0.802SS**  trans-132.5108.5154.725.90000108.4T276T276-T278 PolarHBondContact O-N 3.07Å
279T28.8Very low32.2Very low134 Ų134155.9 Ų155.982%0.82280%0.801SS**  trans-80.9128.9160.744.50000108.3
280D34.3Very low32.5Very low160 Ų160152.9 Ų152.986%0.85679%0.79SS**  trans-145143153.6-98.4-45.7000109.5
281N28.3Very low32.5Very low149 Ų149153.5 Ų153.580%0.79780%0.799SS**  trans-83155.4176-65.3-47.2000110.2
282I38Very low32.5Very low168 Ų168152.8 Ų152.886%0.86280%0.795SS**  trans-167.7130.2132.2-98.7148.5000108.1
283D29.7Very low32.6Very low134 Ų134153.6 Ų153.672%0.71779%0.794SS**  trans-66.4151.5173.4-67.4-84.9000112.2
284H33.2Very low32.6Very low186 Ų186152.1 Ų152.186%0.86179%0.79SS**  -174.2125.8108.8-98.668000112
285K30.3Very low32.8Very low194 Ų194150.5 Ų150.584%0.84379%0.791SS**  trans-86.4167157.9-109.8178.1179.1173.20108.3
286P35.8Very low32.5Very low105 Ų105150 Ų15068%0.68278%0.782SS**  cis-149.3177.641.642.3-21.5000118
287K34.3Very low32.3Very low177 Ų177153 Ų15377%0.7779%0.793SS**  trans44148139.7-67.7-179.5171.4-173.70121.4
288D36.7Very low32.2Very low131 Ų131148.7 Ų148.770%0.70178%0.779SS**  cis-171.7162.6-5.4-96.6-21.4000107
289S34.4Very low32.2Very low99 Ų99150.9 Ų150.969%0.69278%0.78SS**  cis-165.4-118.6-17.858.90000109.8
290I36.4Very low32.1Very low141 Ų141148.7 Ų148.772%0.72377%0.77SS**  trans5992.2167-56.7177.9000118.9
291N32.1Very low31.9Very low131 Ų131152.2 Ų152.270%0.70177%0.771SS**  65120.1126.7-61.6-8.5000124.3
292N30.2Very low31.8Very low134 Ų134151.7 Ų151.772%0.71777%0.769SS**  66109.9127.9-60-16.8000120.9
293Q34.9Very low31.4Very low197 Ų197154.8 Ų154.892%0.92177%0.771SS**  -146.4145.9101.6-107.2174.519.200111.1
294Q30.2Very low31.4Very low171 Ų171153 Ų15380%0.79977%0.769SS**  trans-96.5132.9179.1-67.8-178.9-4.300111
295S32Very low31.2Very low122 Ų122149.4 Ų149.485%0.85376%0.76SS**  trans-123.294.5157.648.60000109.5L297S295-L297 PolarHBondContact O-N 3.37Å
296K28.6Very low31.1Very low164 Ų164145 Ų14571%0.71375%0.752SS**  trans-64.5129.8173.4-83.1177.6175.4174.50110.1I298K296-I298 HydrophobicContact CD-CD1 4.01Å; K296-I298 HydrophobicContact CG-CD1 4.14Å; K296-I298 HydrophobicContact CG-CG1 4.44Å
297L28.7Very low30.6Very low172 Ų172147.5 Ų147.590%0.90176%0.758SS**  trans-130.290.4152.1-115.3157.6000107.9S295S295-L297 PolarHBondContact O-N 3.37Å
298I26.9Very low30.3Very low122 Ų122145.7 Ų145.763%0.62676%0.756SS**  trans-102.6101.6179.5-60.9175000108.3K296K296-I298 HydrophobicContact CD-CD1 4.01Å; K296-I298 HydrophobicContact CG-CD1 4.14Å; K296-I298 HydrophobicContact CG-CG1 4.44Å
299H31.5Very low29.8Very low177 Ų177143.8 Ų143.882%0.81975%0.75SS**  trans-143.3108.1150.3-95.6-79.2000106
300S27.5Very low29.4Very low88 Ų88148.6 Ų148.662%0.61576%0.759SS**  65.98554.5-165.50000112.8
301R29.4Very low29Very low234 Ų234148.7 Ų148.788%0.88376%0.761SS**  -160.1152.6104.2-105.1174.3-174.6172.22.6113.1
302N26.8Very low28.9Very low139 Ų139151.1 Ų151.174%0.74377%0.768SS**  trans-60.5132.6179.3-48.1-17.6000110.9
303Y30.2Very low28.9Very low233 Ų233154.9 Ų154.991%0.91477%0.774SS**  trans-108.886.4135.6-94.9-84.9000107.3T305Y303-T305 PolarHBondContact O-N 3.34Å; Y303-T305 VanDerWaalsContact O-N 3.17Å
304S29.3Very low28.6Very low95 Ų95151.3 Ų151.366%0.66477%0.768SS**  trans-60.1113.7160.645.50000107.3P306S304-P306 WeakPolarHBondContact O-CD 3.47Å
305T29.1Very low28.4Very low112 Ų112151.3 Ų151.369%0.68777%0.772SS**  trans-48.8121.4168.243.70000109.3Y303 L307Y303-T305 PolarHBondContact O-N 3.34Å; Y303-T305 VanDerWaalsContact O-N 3.17Å; T305-L307 PolarHBondContact O-N 3.45Å
306P27.4Very low28.2Very low102 Ų102152.8 Ų152.866%0.66277%0.771SS**  trans-61.3119.5149.828.4-29.5000105.7S304 I308S304-P306 WeakPolarHBondContact O-CD 3.47Å; P306-I308 HydrophobicContact CB-CG1 4.21Å; P306-I308 HydrophobicContact CG-CG1 4.25Å; P306-I308 PolarHBondContact O-N 3.35Å
307L25.9Very low28.2Very low156 Ų156150.4 Ų150.482%0.81778%0.775SS**  trans-67.286.3151.8-77.187.9000105.1T305 P309T305-L307 PolarHBondContact O-N 3.45Å; L307-P309 VanDerWaalsContact O-CD 3.32Å; L307-P309 WeakPolarHBondContact O-CD 3.23Å; L307-P309 VanDerWaalsContact O-N 3.13Å
308I28.6Very low28.3Very low140 Ų140150 Ų15072%0.71877%0.772SS**  trans-58.1115157.2-58.8177.4000103.3P306 F310P306-I308 HydrophobicContact CB-CG1 4.21Å; P306-I308 HydrophobicContact CG-CG1 4.25Å; P306-I308 PolarHBondContact O-N 3.35Å; I308-F310 PolarHBondContact O-N 2.85Å
309P25.2Very low28.4Very low91 Ų91151.3 Ų151.359%0.59178%0.78SS**  trans-58.7142.4179.726-33.4000107.7L307 N311L307-P309 VanDerWaalsContact O-CD 3.32Å; L307-P309 WeakPolarHBondContact O-CD 3.23Å; L307-P309 VanDerWaalsContact O-N 3.13Å; P309-N311 PolarHBondContact O-N 2.77Å
310F26.4Very low28.3Very low200 Ų200150.5 Ų150.588%0.87778%0.782SS**  trans-54108.7163-97.9-102.2000106.6I308 Q312I308-F310 PolarHBondContact O-N 2.85Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 3.4Å
311N29.1Very low28.6Very low142 Ų142155.6 Ų155.676%0.75980%0.796SS**  trans-63.8102.8168.8-98.1-1000105.9P309 Y313P309-N311 PolarHBondContact O-N 2.77Å; N311-Y313 PolarHBondContact O-N 3.43Å
312Q28.6Very low28.6Very low183 Ų183149.3 Ų149.386%0.85579%0.787SS**  trans-64.2101177.7-67.5174.4-44.700107.2F310F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 3.4Å
313Y29.8Very low28.9Very low212 Ų212149.6 Ų149.683%0.83179%0.794SS**  trans-51.7127.7160.1-77.4-85.7000107.2N311 L315N311-Y313 PolarHBondContact O-N 3.43Å; Y313-L315 PolarHBondContact O-N 2.04Å
314P29.5Very low28.9Very low123 Ų123143.2 Ų143.280%0.79978%0.781SS**  trans-74.376.4-175.229.7-35.2000110.6N316P314-N316 PolarHBondContact O-N 3.01Å
315L26.4Very low28.8Very low170 Ų170146.4 Ų146.489%0.8979%0.789SS**  trans-74.173.2175.7-162.688.4000109.8Y313Y313-L315 PolarHBondContact O-N 2.04Å
316N27.7Very low28.7Very low153 Ų153145.4 Ų145.482%0.81879%0.787SS**  trans-154.883.2-173.1-115.2-21.6000113.8P314P314-N316 PolarHBondContact O-N 3.01Å
317S27.5Very low28.8Very low115 Ų115146.1 Ų146.180%0.80479%0.79SS**  trans-159.531.9159.1590000115.3
318I31.2Very low29Very low162 Ų162145.9 Ų145.983%0.83179%0.787SS**SBendtrans-106.7111.6158.2-61.5-176.5000107.8N320I318-N320 PolarHBondContact O-N 3.13Å
319N30.4Very low29Very low151 Ų151144.7 Ų144.781%0.80779%0.791SS**PPolyproline II helixtrans-70.6124.5-172-76.8-41000112.1H321N319-H321 PolarHBondContact O-N 3.15Å
320N28.7Very low29.3Very low160 Ų160145.1 Ų145.186%0.85679%0.794SS**PPolyproline II helixtrans-65.5123.9160-74.1-55.6000109.6I318I318-N320 PolarHBondContact O-N 3.13Å
321H33.3Very low29.5Very low194 Ų194143.7 Ų143.790%0.89879%0.794SS**PPolyproline II helixtrans-88.5124.2153-113.1-73.1000108.9N319N319-H321 PolarHBondContact O-N 3.15Å
322S29.5Very low29.7Very low102 Ų102142.4 Ų142.471%0.71379%0.791SS**PPolyproline II helixtrans-92.7138.2-164.644.70000113.9
323V32.8Very low29.8Very low146 Ų146138 Ų13889%0.88578%0.781SS**  trans-136.6133.5150.9-1750000107.2
324P30Very low29.8Very low99 Ų99137.8 Ų137.864%0.64378%0.784SS**  trans-113.8169.2-16042.7-36.3000115.1
325I27.3Very low30Very low161 Ų161137.4 Ų137.483%0.82678%0.78SS**  trans71.4136.9159.6-64.8154.4000112.8
326S27.7Very low30Very low92 Ų92138.1 Ų138.164%0.64378%0.779SS**  cis-159.2163.829.618.10000114.5
327T28.9Very low30.3Very low117 Ų117138 Ų13872%0.71878%0.776SS**  trans66.8121.5142.9500000123.4
328I31.4Very low30.2Very low150 Ų150139.6 Ų139.677%0.76977%0.774SS**  trans69.7103.2135.1-54.9163000117.8
329S28.4Very low30.4Very low115 Ų115137.6 Ų137.680%0.80477%0.769SS**  trans-102.5120.5147.346.40000109.5
330P32Very low30.4Very low101 Ų101135.3 Ų135.366%0.65676%0.763SS**  trans-83.5131.3175.431.7-31.3000111V332P330-V332 HydrophobicContact CB-CG2 4.42Å; P330-V332 PolarHBondContact O-N 3.07Å
331I28.6Very low30.8Very low170 Ų170135.4 Ų135.487%0.87276%0.762SS**  trans-73.3115.2164.8-61.2166.5000107.6
332V33.3Very low31Very low115 Ų115133.3 Ų133.370%0.69776%0.757SS**  trans-111.995.1172.8-176.50000108.8P330P330-V332 HydrophobicContact CB-CG2 4.42Å; P330-V332 PolarHBondContact O-N 3.07Å
333S31.9Very low31.1Very low91 Ų91135.7 Ų135.764%0.63676%0.762SS**  trans-70.1129.4165.950.80000110T335S333-T335 PolarHBondContact O-N 3.07Å
334F28.9Very low31.5Very low206 Ų206135.9 Ų135.990%0.90476%0.758SS**  trans-68125.3172.5-71.8-94.2000110.8
335T34.2Very low32Very low116 Ų116140 Ų14071%0.71277%0.768SS**  trans-128123.5162.443.80000108.8S333S333-T335 PolarHBondContact O-N 3.07Å
336E27.5Very low32.5Very low185 Ų185138.7 Ų138.786%0.86476%0.758SS**  trans-71.3132.3175.8-64.7-178115.800110.3
337I32.6Very low33.2Very low149 Ų149139.6 Ų139.676%0.76477%0.765SS**  trans-130.1106166.1-62-178000107.6V339I337-V339 HydrophobicContact CG2-CG2 4.14Å
338I26.8Very low33.8Very low149 Ų149143.7 Ų143.776%0.76477%0.773SS**  trans-88.2116.9174.9-59.7172.4000108.4
339V34.3Very low34.5Very low120 Ų120141 Ų14173%0.72776%0.759SS**  trans-135116.8163.7-178.10000108.6I337I337-V339 HydrophobicContact CG2-CG2 4.14Å
340P30.5Very low35.2Very low103 Ų103141 Ų14167%0.66975%0.748SS**  trans-86.1163.5175.236-35.1000111.4
341I36.4Very low35.9Very low162 Ų162144.3 Ų144.383%0.83176%0.755SS**  trans-166.9142.5141.3-101148.6000110.9
342N37.2Very low36.9Very low151 Ų151142.6 Ų142.681%0.80774%0.743SS**  trans-14.7133.1-178.9-65.7-23.3000121.2
343N33.4Very low37.8Very low152 Ų152142.6 Ų142.681%0.81374%0.736SS**  trans-64.1138151.6-63.9-45.3000111.1
344N39.6Very low39.1Very low149 Ų149142.4 Ų142.480%0.79773%0.727SS**  trans161.293.6135.9-85.3-20.2000111.5
345H40.3Very low40.9Very low186 Ų186138.5 Ų138.586%0.86171%0.707SS**  trans-171.1-10.2154.9-119.5-65.9000117.2S347H345-S347 VanDerWaalsContact C-N 3.32Å; H345-S347 PolarHBondContact O-N 2.86Å
346H37.7Very low42.5Very low133 Ų133141 Ų14162%0.61670%0.703SS**  trans-83.214.9-154.2-137.5-75.4000117.6K348H346-K348 VanDerWaalsContact C-N 3.29Å; H346-K348 PolarHBondContact O-N 2.78Å
347S42.8Very low44.4Very low112 Ų112137.8 Ų137.878%0.78369%0.687SS**THydrogen-bonded Turntrans-74.3-3-168.655.30000116.4H345H345-S347 VanDerWaalsContact C-N 3.32Å; H345-S347 PolarHBondContact O-N 2.86Å
348K41.6Very low46.4Very low203 Ų203136.2 Ų136.288%0.88368%0.678SS**THydrogen-bonded Turntrans-115.5-0.6-171.8-141.7176.3-176.2-179.40116.5H346H346-K348 VanDerWaalsContact C-N 3.29Å; H346-K348 PolarHBondContact O-N 2.78Å
349I46.4Very low48.7Very low92 Ų92133.9 Ų133.947%0.47267%0.666SS.*SBendtrans-101.8-12.9-174.6-68.8165.9000112.9H351 E352I349-H351 VanDerWaalsContact C-N 3.28Å; I349-H351 PolarHBondContact O-N 3.38Å; I349-H351 VanDerWaalsContact O-N 3.12Å; I349-E352 PolarHBondContact O-N 2.77Å
350I44.1Very low50.6Low115 Ų115132.7 Ų132.759%0.5966%0.655SS**Hα-helixtrans-61.7-29.4-166-64.1173.5000113.6E352I350-E352 PolarHBondContact O-N 2.88Å
351H44.8Very low52.8Low172 Ų172133.5 Ų133.580%0.79665%0.652SS**Hα-helixtrans-74.1-19.9-174.6-147.7-63.3000114.5I349I349-H351 VanDerWaalsContact C-N 3.28Å; I349-H351 PolarHBondContact O-N 3.38Å; I349-H351 VanDerWaalsContact O-N 3.12Å
352E50.3Low54.8Low134 Ų134129.5 Ų129.563%0.62664%0.639SS**Hα-helixtrans-85.9-22.9178.2-82.5-129.7100.800114I349 I350 N354 W355I349-E352 PolarHBondContact O-N 2.77Å; I350-E352 PolarHBondContact O-N 2.88Å; E352-N354 VanDerWaalsContact C-N 3.34Å; E352-N354 PolarHBondContact O-N 2.83Å; E352-W355 PolarHBondContact O-NE1 2.86Å; E352-W355 VanDerWaalsContact O-NE1 3.1Å; E352-W355 PolarHBondContact OE1-NE1 3.43Å
353Q52.6Low56.9Low114 Ų114123.8 Ų123.853%0.53361%0.611SS.*Hα-helixtrans-75.9-21.6-178.2-73.5-164.5-12.600113.8K357Q353-K357 PolarHBondContact O-N 2.89Å
354N58Low59.2Low87 Ų87121.1 Ų121.147%0.46560%0.596SS.*Hα-helixtrans-71-40-175.5-80.5-7.3000113.3E352 R356 K357 I358E352-N354 VanDerWaalsContact C-N 3.34Å; E352-N354 PolarHBondContact O-N 2.83Å; N354-R356 PolarHBondContact O-N 3.4Å; N354-K357 PolarHBondContact O-N 3.11Å; N354-I358 WeakPolarHBondContact O-CG1 3.18Å; N354-I358 PolarHBondContact O-N 3.1Å
355W67.8Low61.3Low124 Ų124115.4 Ų115.447%0.4757%0.572SS.*Hα-helixtrans-65.1-38.7-177.267.2-95.6000112.4E352 I358 I359E352-W355 PolarHBondContact O-NE1 2.86Å; E352-W355 VanDerWaalsContact O-NE1 3.1Å; E352-W355 PolarHBondContact OE1-NE1 3.43Å; W355-I358 PolarHBondContact O-N 2.95Å; W355-I359 HydrophobicContact CE3-CD1 3.77Å; W355-I359 HydrophobicContact CZ3-CD1 4.12Å; W355-I359 WeakPolarHBondContact O-CG1 3.47Å; W355-I359 PolarHBondContact O-N 2.95Å; W355-I359 VanDerWaalsContact O-N 3.08Å
356R66.8Low63.3Low169 Ų169111.6 Ų111.664%0.63856%0.557SS**Hα-helixtrans-64.1-40.3173.1-70.2-169.7174.9-1540.5112.9N354 I359 I360N354-R356 PolarHBondContact O-N 3.4Å; R356-I359 PolarHBondContact O-N 3.27Å; R356-I360 WeakPolarHBondContact O-CG1 3.41Å; R356-I360 PolarHBondContact O-N 3.31Å; R356-I360 VanDerWaalsContact O-N 3.16Å
357K68.9Low65.5Low118 Ų118108.2 Ų108.251%0.51354%0.543SS..Hα-helixtrans-64-42.5175.4-73.1-180179177.90111.9Q353 N354 I359 I360 I361Q353-K357 PolarHBondContact O-N 2.89Å; N354-K357 PolarHBondContact O-N 3.11Å; K357-I359 PolarHBondContact O-N 3.33Å; K357-I360 PolarHBondContact O-N 3.25Å; K357-I361 VanDerWaalsContact O-CG1 3.32Å; K357-I361 WeakPolarHBondContact O-CG1 3.04Å; K357-I361 PolarHBondContact O-N 3.16Å
358I74Confident67.5Low115 Ų115107.4 Ų107.459%0.5953%0.53SS*.Hα-helixtrans-61.7-44178.1-68.6164000111.2N354 W355 I360 I361 S362N354-I358 WeakPolarHBondContact O-CG1 3.18Å; N354-I358 PolarHBondContact O-N 3.1Å; W355-I358 PolarHBondContact O-N 2.95Å; I358-I360 PolarHBondContact O-N 3.06Å; I358-I361 PolarHBondContact O-N 3.43Å; I358-S362 WeakPolarHBondContact O-CB 3.37Å; I358-S362 PolarHBondContact O-N 3.4Å
359I75.1Confident69.6Low100 Ų100103.8 Ų103.851%0.51352%0.518SS..Hα-helixtrans-62.7-42.1177.2-68170.3000111.6W355 R356 K357 S362 S363W355-I359 HydrophobicContact CE3-CD1 3.77Å; W355-I359 HydrophobicContact CZ3-CD1 4.12Å; W355-I359 WeakPolarHBondContact O-CG1 3.47Å; W355-I359 PolarHBondContact O-N 2.95Å; W355-I359 VanDerWaalsContact O-N 3.08Å; R356-I359 PolarHBondContact O-N 3.27Å; K357-I359 PolarHBondContact O-N 3.33Å; I359-S362 PolarHBondContact O-N 3.02Å; I359-S363 PolarHBondContact O-N 3.37Å; I359-S363 PolarHBondContact O-OG 2.97Å
360I75.1Confident71.4Confident95 Ų95104 Ų10449%0.48752%0.519SS..Hα-helixtrans-66.9-42.4178.7-67.7166.5000111.4R356 K357 I358 S362 S363 I364R356-I360 WeakPolarHBondContact O-CG1 3.41Å; R356-I360 PolarHBondContact O-N 3.31Å; R356-I360 VanDerWaalsContact O-N 3.16Å; K357-I360 PolarHBondContact O-N 3.25Å; I358-I360 PolarHBondContact O-N 3.06Å; I360-S362 VanDerWaalsContact C-N 3.33Å; I360-S362 PolarHBondContact O-N 3.27Å; I360-S363 PolarHBondContact O-N 2.98Å; I360-S363 PolarHBondContact O-OG 2.88Å; I360-S363 VanDerWaalsContact O-OG 3.07Å; I360-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 VanDerWaalsContact O-CG1 3.29Å; I360-I364 WeakPolarHBondContact O-CG1 3.04Å; I360-I364 PolarHBondContact O-N 3.05Å
361I76.8Confident73.2Confident120 Ų120101.6 Ų101.662%0.61551%0.51SS*.Hα-helixtrans-65-40.5177-68.1165.2000110.5K357 I358 I364 G365K357-I361 VanDerWaalsContact O-CG1 3.32Å; K357-I361 WeakPolarHBondContact O-CG1 3.04Å; K357-I361 PolarHBondContact O-N 3.16Å; I358-I361 PolarHBondContact O-N 3.43Å; I361-I364 PolarHBondContact O-N 2.04Å; I361-G365 PolarHBondContact O-N 2.82Å
362S78.5Confident75Confident79 Ų7998.4 Ų98.455%0.55250%0.498SS*.Hα-helixtrans-62.8-43.6176.6-171.90000112.5I358 I359 I360 G365 L366I358-S362 WeakPolarHBondContact O-CB 3.37Å; I358-S362 PolarHBondContact O-N 3.4Å; I359-S362 PolarHBondContact O-N 3.02Å; I360-S362 VanDerWaalsContact C-N 3.33Å; I360-S362 PolarHBondContact O-N 3.27Å; S362-G365 PolarHBondContact O-N 3.14Å; S362-L366 WeakPolarHBondContact O-CB 3.29Å; S362-L366 PolarHBondContact O-N 3.49Å
363S79.8Confident76.7Confident31 Ų3193.7 Ų93.722%0.21749%0.485CS..Hα-helixtrans-69.1-37.2178.464.80000112.9I359 I360 L366 I367I359-S363 PolarHBondContact O-N 3.37Å; I359-S363 PolarHBondContact O-OG 2.97Å; I360-S363 PolarHBondContact O-N 2.98Å; I360-S363 PolarHBondContact O-OG 2.88Å; I360-S363 VanDerWaalsContact O-OG 3.07Å; S363-L366 PolarHBondContact O-N 3.23Å; S363-I367 WeakPolarHBondContact O-CD1 3.39Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.03Å; S363-I367 PolarHBondContact O-N 3.41Å
364I81.8Confident78.2Confident96 Ų9692.3 Ų92.349%0.49249%0.485SS..Hα-helixtrans-62.2-45.5172.3-67.9166.3000110.7I360 I361 L366 I367 L368I360-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 VanDerWaalsContact O-CG1 3.29Å; I360-I364 WeakPolarHBondContact O-CG1 3.04Å; I360-I364 PolarHBondContact O-N 3.05Å; I361-I364 PolarHBondContact O-N 2.04Å; I364-L366 PolarHBondContact O-N 3.26Å; I364-I367 PolarHBondContact O-N 3.35Å; I364-L368 PolarHBondContact O-N 3.42Å
365G83.8Confident79.3Confident29 Ų2990.2 Ų90.230%0.29948%0.484SS..Hα-helixtrans-61-42.517700000113I361 S362 L368 I369I361-G365 PolarHBondContact O-N 2.82Å; S362-G365 PolarHBondContact O-N 3.14Å; G365-L368 WeakPolarHBondContact O-CB 3.05Å; G365-L368 PolarHBondContact O-N 3.06Å; G365-I369 WeakPolarHBondContact O-CG1 3.19Å; G365-I369 PolarHBondContact O-N 3.27Å
366L83.7Confident80Confident105 Ų10587.9 Ų87.955%0.5549%0.486SS..Hα-helixtrans-67.5-37.6178.1-173.1142.8000112.4S362 S363 I364 I369 I370S362-L366 WeakPolarHBondContact O-CB 3.29Å; S362-L366 PolarHBondContact O-N 3.49Å; S363-L366 PolarHBondContact O-N 3.23Å; I364-L366 PolarHBondContact O-N 3.26Å; L366-I369 PolarHBondContact O-N 3.33Å; L366-I370 HydrophobicContact CD2-CD1 3.62Å; L366-I370 HydrophobicContact CD2-CG1 4.5Å; L366-I370 HydrophobicContact CG-CD1 4.47Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 2.85Å
367I83Confident80.8Confident62 Ų6284.2 Ų84.232%0.31848%0.482SS..Hα-helixtrans-62-44.2171.7-70164.1000110.7F4 S363 I364 I369 I370 T371F4-I367 HydrophobicContact CE1-CD1 4.14Å; S363-I367 WeakPolarHBondContact O-CD1 3.39Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.03Å; S363-I367 PolarHBondContact O-N 3.41Å; I364-I367 PolarHBondContact O-N 3.35Å; I367-I369 PolarHBondContact O-N 3.37Å; I367-I370 PolarHBondContact O-N 2.69Å; I367-T371 HydrophobicContact CG2-CG2 4.47Å; I367-T371 PolarHBondContact O-N 3.11Å; I367-T371 PolarHBondContact O-OG1 3.41Å
368L84.1Confident81.4Confident96 Ų9680.1 Ų80.150%0.50347%0.473SS..Hα-helixtrans-61.3-40.9177.3-111.8164.8000112.7I364 G365 T371 I372I364-L368 PolarHBondContact O-N 3.42Å; G365-L368 WeakPolarHBondContact O-CB 3.05Å; G365-L368 PolarHBondContact O-N 3.06Å; L368-T371 PolarHBondContact O-OG1 2.98Å; L368-I372 HydrophobicContact CD2-CD1 4.01Å; L368-I372 HydrophobicContact CD2-CG1 4.49Å; L368-I372 WeakPolarHBondContact O-CB 3.31Å; L368-I372 WeakPolarHBondContact O-CD1 3.27Å; L368-I372 VanDerWaalsContact O-CG1 3.25Å; L368-I372 WeakPolarHBondContact O-CG1 3.17Å; L368-I372 PolarHBondContact O-N 2.87Å
369I85.5Confident81.6Confident126 Ų12679.7 Ų79.765%0.64647%0.471SS*.Hα-helixtrans-65-41175.6-68.8164.2000110.7G365 L366 I367 G373G365-I369 WeakPolarHBondContact O-CG1 3.19Å; G365-I369 PolarHBondContact O-N 3.27Å; L366-I369 PolarHBondContact O-N 3.33Å; I367-I369 PolarHBondContact O-N 3.37Å; I369-G373 PolarHBondContact O-N 3Å
370I84.5Confident81.8Confident96 Ų9678.3 Ų78.349%0.49247%0.467SS..Hα-helixtrans-66.7-44.3178-70.2172.8000111.4L366 I367 G373 T374L366-I370 HydrophobicContact CD2-CD1 3.62Å; L366-I370 HydrophobicContact CD2-CG1 4.5Å; L366-I370 HydrophobicContact CG-CD1 4.47Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 2.85Å; I367-I370 PolarHBondContact O-N 2.69Å; I370-G373 PolarHBondContact O-N 3.42Å; I370-T374 HydrophobicContact CG2-CG2 4.41Å; I370-T374 PolarHBondContact O-N 3.3Å; I370-T374 PolarHBondContact O-OG1 3.38Å
371T81.6Confident82Confident65 Ų6578.7 Ų78.740%0.39947%0.47SS..Hα-helixtrans-69.6-35.2-179.754.40000112.9I367 L368 T374 G375I367-T371 HydrophobicContact CG2-CG2 4.47Å; I367-T371 PolarHBondContact O-N 3.11Å; I367-T371 PolarHBondContact O-OG1 3.41Å; L368-T371 PolarHBondContact O-OG1 2.98Å; T371-T374 PolarHBondContact O-OG1 3.32Å; T371-G375 PolarHBondContact O-N 3.47Å
372I84.4Confident81.9Confident105 Ų10575.6 Ų75.654%0.53846%0.458SS..Hα-helixtrans-64.9-45.4169.8-68.1166.5000109.9L368 G375 C376L368-I372 HydrophobicContact CD2-CD1 4.01Å; L368-I372 HydrophobicContact CD2-CG1 4.49Å; L368-I372 WeakPolarHBondContact O-CB 3.31Å; L368-I372 WeakPolarHBondContact O-CD1 3.27Å; L368-I372 VanDerWaalsContact O-CG1 3.25Å; L368-I372 WeakPolarHBondContact O-CG1 3.17Å; L368-I372 PolarHBondContact O-N 2.87Å; I372-G375 PolarHBondContact O-N 2.83Å; I372-C376 WeakPolarHBondContact O-CB 3.31Å; I372-C376 PolarHBondContact O-N 3.4Å; I372-C376 PolarHBondContact O-SG 2.84Å; I372-C376 VanDerWaalsContact O-SG 3.32Å
373G84.1Confident81.7Confident35 Ų3576.5 Ų76.536%0.36146%0.457SS..Hα-helixtrans-59.5-49.8178.700000113.5I369 I370 C376 V377I369-G373 PolarHBondContact O-N 3Å; I370-G373 PolarHBondContact O-N 3.42Å; G373-C376 PolarHBondContact O-N 2.93Å; G373-V377 WeakPolarHBondContact O-CG2 3.26Å; G373-V377 PolarHBondContact O-N 2.81Å
374T85.1Confident81.5Confident86 Ų8682 Ų8253%0.52848%0.48SS..Hα-helixtrans-68.6-36.617856.50000112.1I370 T371 V377 G378I370-T374 HydrophobicContact CG2-CG2 4.41Å; I370-T374 PolarHBondContact O-N 3.3Å; I370-T374 PolarHBondContact O-OG1 3.38Å; T371-T374 PolarHBondContact O-OG1 3.32Å; T374-V377 PolarHBondContact O-N 3.17Å; T374-G378 PolarHBondContact O-N 2.77Å
375G81.9Confident80.9Confident43 Ų4388 Ų8844%0.44350%0.497SS..Hα-helixtrans-60.2-47.3172.300000112.5T371 I372 G378 L379T371-G375 PolarHBondContact O-N 3.47Å; I372-G375 PolarHBondContact O-N 2.83Å; G375-G378 PolarHBondContact O-N 2.88Å; G375-L379 VanDerWaalsContact O-CB 3.3Å; G375-L379 WeakPolarHBondContact O-CB 3.32Å; G375-L379 PolarHBondContact O-N 3.47Å
376C82.4Confident79.6Confident75 Ų7594.8 Ų94.851%0.50751%0.513SS..Hα-helixtrans-63.1-45.1175.7-73.20000112.3I372 G373 L379 V380I372-C376 WeakPolarHBondContact O-CB 3.31Å; I372-C376 PolarHBondContact O-N 3.4Å; I372-C376 PolarHBondContact O-SG 2.84Å; I372-C376 VanDerWaalsContact O-SG 3.32Å; G373-C376 PolarHBondContact O-N 2.93Å; C376-L379 PolarHBondContact O-N 2.7Å; C376-V380 WeakPolarHBondContact O-CG2 3.37Å; C376-V380 PolarHBondContact O-N 3.39Å
377V82.7Confident78.1Confident92 Ų9298.1 Ų98.156%0.55852%0.524SS*.Hα-helixtrans-63.8-43177.4171.20000111.3G373 T374 L379 V380 L381G373-V377 WeakPolarHBondContact O-CG2 3.26Å; G373-V377 PolarHBondContact O-N 2.81Å; T374-V377 PolarHBondContact O-N 3.17Å; V377-L379 VanDerWaalsContact C-N 3.35Å; V377-L379 PolarHBondContact O-N 2.82Å; V377-V380 PolarHBondContact O-N 2.95Å; V377-L381 HydrophobicContact CG1-CD1 3.97Å; V377-L381 HydrophobicContact CG1-CG 4.46Å; V377-L381 WeakPolarHBondContact O-CB 3.22Å; V377-L381 WeakPolarHBondContact O-CG 3.29Å; V377-L381 PolarHBondContact O-N 3.28Å
378G81.8Confident76.3Confident31 Ų31100.3 Ų100.332%0.3254%0.542SS..Hα-helixtrans-61.1-41.7174.800000112.7T374 G375 L381 C382T374-G378 PolarHBondContact O-N 2.77Å; G375-G378 PolarHBondContact O-N 2.88Å; G378-L381 PolarHBondContact O-N 2.94Å; G378-C382 VanDerWaalsContact O-CB 3.32Å; G378-C382 WeakPolarHBondContact O-CB 3.01Å; G378-C382 PolarHBondContact O-N 3.38Å
379L77.7Confident74.5Confident106 Ų106101.5 Ų101.556%0.55554%0.543SS*.Hα-helixtrans-65.5-43.7176.1-172.2151.8000111.7G375 C376 V377 C382 L383G375-L379 VanDerWaalsContact O-CB 3.3Å; G375-L379 WeakPolarHBondContact O-CB 3.32Å; G375-L379 PolarHBondContact O-N 3.47Å; C376-L379 PolarHBondContact O-N 2.7Å; V377-L379 VanDerWaalsContact C-N 3.35Å; V377-L379 PolarHBondContact O-N 2.82Å; L379-C382 PolarHBondContact O-N 2.98Å; L379-L383 HydrophobicContact CD2-CD1 3.6Å; L379-L383 HydrophobicContact CD2-CG 4.08Å; L379-L383 WeakPolarHBondContact O-CG 3.22Å; L379-L383 PolarHBondContact O-N 2.89Å
380V80.2Confident72.6Confident72 Ų72101 Ų10144%0.43655%0.545SS..Hα-helixtrans-63.3-43.4175.7172.70000111.4C376 V377 C382 L383 M384C376-V380 WeakPolarHBondContact O-CG2 3.37Å; C376-V380 PolarHBondContact O-N 3.39Å; V377-V380 PolarHBondContact O-N 2.95Å; V380-C382 VanDerWaalsContact C-N 3.32Å; V380-C382 PolarHBondContact O-N 3.22Å; V380-L383 PolarHBondContact O-N 3.07Å; V380-M384 HydrophobicContact CG1-CE 4.03Å; V380-M384 HydrophobicContact CG1-CG 4.38Å; V380-M384 HydrophobicContact CG1-SD 4.21Å; V380-M384 WeakPolarHBondContact O-CB 3.01Å; V380-M384 WeakPolarHBondContact O-CG 3.36Å; V380-M384 PolarHBondContact O-N 2.82Å
381L78.1Confident70.5Confident102 Ų102103.9 Ų103.953%0.53456%0.562SS.*Hα-helixtrans-64.4-36.1175.9-70.7171.3000112.3V377 G378 R385V377-L381 HydrophobicContact CG1-CD1 3.97Å; V377-L381 HydrophobicContact CG1-CG 4.46Å; V377-L381 WeakPolarHBondContact O-CB 3.22Å; V377-L381 WeakPolarHBondContact O-CG 3.29Å; V377-L381 PolarHBondContact O-N 3.28Å; G378-L381 PolarHBondContact O-N 2.94Å; L381-R385 WeakPolarHBondContact O-CG 3.22Å; L381-R385 PolarHBondContact O-N 3.31Å; L381-R385 VanDerWaalsContact O-N 3.09Å
382C75.9Confident68.5Low56 Ų56110 Ų11038%0.37858%0.583SS.*Hα-helixtrans-66.8-42.8173.8-1700000111.8G378 L379 V380 R385 R386G378-C382 VanDerWaalsContact O-CB 3.32Å; G378-C382 WeakPolarHBondContact O-CB 3.01Å; G378-C382 PolarHBondContact O-N 3.38Å; L379-C382 PolarHBondContact O-N 2.98Å; V380-C382 VanDerWaalsContact C-N 3.32Å; V380-C382 PolarHBondContact O-N 3.22Å; C382-R385 PolarHBondContact O-N 3.41Å; C382-R386 PolarHBondContact O-N 2.89Å; C382-R386 VanDerWaalsContact O-N 3.09Å
383L74.4Confident66.1Low98 Ų98114.6 Ų114.651%0.51360%0.599SS.*Hα-helixtrans-66.4-39.1174.5-70.8-177.2000112.6L379 V380 R385 R386L379-L383 HydrophobicContact CD2-CD1 3.6Å; L379-L383 HydrophobicContact CD2-CG 4.08Å; L379-L383 WeakPolarHBondContact O-CG 3.22Å; L379-L383 PolarHBondContact O-N 2.89Å; V380-L383 PolarHBondContact O-N 3.07Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 3.08Å; L383-R386 CarbonylContact O-C 3.52Å; L383-R386 VanDerWaalsContact O-C 3.3Å; L383-R386 WeakPolarHBondContact O-CA 3.32Å; L383-R386 WeakPolarHBondContact O-CB 3.41Å; L383-R386 PolarHBondContact O-N 2.95Å; L383-R386 VanDerWaalsContact O-O 3.09Å
384M74Confident63.9Low146 Ų146117.3 Ų117.372%0.71961%0.613SS**Hα-helixtrans-67.5-29.6176.1-74.9-173.2171.800113V380V380-M384 HydrophobicContact CG1-CE 4.03Å; V380-M384 HydrophobicContact CG1-CG 4.38Å; V380-M384 HydrophobicContact CG1-SD 4.21Å; V380-M384 WeakPolarHBondContact O-CB 3.01Å; V380-M384 WeakPolarHBondContact O-CG 3.36Å; V380-M384 PolarHBondContact O-N 2.82Å
385R70Confident61.3Low223 Ų223120.6 Ų120.684%0.84263%0.627SS**Hα-helixtrans-70.9-31.2168.5-75178.6174.3175.1-1.1112.4L381 C382 L383 K387L381-R385 WeakPolarHBondContact O-CG 3.22Å; L381-R385 PolarHBondContact O-N 3.31Å; L381-R385 VanDerWaalsContact O-N 3.09Å; C382-R385 PolarHBondContact O-N 3.41Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 3.08Å; R385-K387 VanDerWaalsContact C-N 3.29Å; R385-K387 PolarHBondContact O-N 3.06Å
386R56.2Low59Low170 Ų170126.1 Ų126.164%0.64265%0.645SS**SBendtrans-7971.7170.1-68.5-179.5177.8-174.70.8111.1C382 L383 P388C382-R386 PolarHBondContact O-N 2.89Å; C382-R386 VanDerWaalsContact O-N 3.09Å; L383-R386 CarbonylContact O-C 3.52Å; L383-R386 VanDerWaalsContact O-C 3.3Å; L383-R386 WeakPolarHBondContact O-CA 3.32Å; L383-R386 WeakPolarHBondContact O-CB 3.41Å; L383-R386 PolarHBondContact O-N 2.95Å; L383-R386 VanDerWaalsContact O-O 3.09Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å; R386-P388 VanDerWaalsContact O-N 3.09Å
387K52.1Low56.5Low176 Ų176127.1 Ų127.177%0.76565%0.653SS**  trans-45.9118.9167-84.8-171176.6-178.50109.5R385 K389R385-K387 VanDerWaalsContact C-N 3.29Å; R385-K387 PolarHBondContact O-N 3.06Å; K387-K389 PolarHBondContact O-N 3.41Å
388P46.5Very low54Low107 Ų107127.7 Ų127.770%0.69566%0.661SS**  trans-72.4117.3179.127.7-32.7000109.6R386 T390R386-P388 WeakPolarHBondContact O-CD 3.34Å; R386-P388 VanDerWaalsContact O-N 3.09Å; P388-T390 HydrophobicContact CB-CG2 4.45Å; P388-T390 PolarHBondContact O-N 3.34Å; P388-T390 VanDerWaalsContact O-N 3.08Å
389K46.1Very low51.5Low122 Ų122134 Ų13453%0.5369%0.686SS.*  trans-68.1101159.3-75.1-167.7172.9-1690106.9E61 K387E61-K389 IonicContact OE2-NZ 2.68Å; E61-K389 PolarHBondContact OE2-NZ 2.74Å; K387-K389 PolarHBondContact O-N 3.41Å
390T45.8Very low49.3Very low114 Ų114136.6 Ų136.670%0.69970%0.698SS**  trans-84.1112.9173.844.70000109.1P388 K392P388-T390 HydrophobicContact CB-CG2 4.45Å; P388-T390 PolarHBondContact O-N 3.34Å; P388-T390 VanDerWaalsContact O-N 3.08Å; T390-K392 PolarHBondContact O-N 2.93Å
391D39.3Very low46.9Very low158 Ų158139.1 Ų139.185%0.84571%0.714SS**  trans-67.588.5-174.5-66.9-44.9000112.7K393D391-K393 VanDerWaalsContact C-N 3.35Å; D391-K393 PolarHBondContact O-N 2.88Å; D391-K393 VanDerWaalsContact O-N 3.08Å
392K39Very low44.5Very low193 Ų193143.6 Ų143.684%0.83973%0.732SS**  trans-77.186.3163.8-83.9-169.8172.6-177.30110.1T390 S394T390-K392 PolarHBondContact O-N 2.93Å; K392-S394 PolarHBondContact O-N 3.35Å
393K34.2Very low42.3Very low201 Ų201148.1 Ų148.187%0.87475%0.752SS**  trans-61.697.6157.6-89.9-173.4171.9-179.30109.6D391D391-K393 VanDerWaalsContact C-N 3.35Å; D391-K393 PolarHBondContact O-N 2.88Å; D391-K393 VanDerWaalsContact O-N 3.08Å
394S38.2Very low40.4Very low93 Ų93148.8 Ų148.865%0.6577%0.765SS**  trans-101106.2165.953.20000109.7K392 I396K392-S394 PolarHBondContact O-N 3.35Å; S394-I396 PolarHBondContact O-N 3.27Å; S394-I396 VanDerWaalsContact O-N 3.16Å
395N30Very low38.1Very low155 Ų155145.7 Ų145.783%0.82977%0.771SS**  trans-65.7111.6167.9-74.2-7.8000109
396I34.2Very low36.1Very low158 Ų158140.2 Ų140.281%0.8177%0.766SS**  trans-123.196.8159-59.7-177.4000106.8S394S394-I396 PolarHBondContact O-N 3.27Å; S394-I396 VanDerWaalsContact O-N 3.16Å
397S29.7Very low34.6Very low97 Ų97140.4 Ų140.468%0.67878%0.779SS**  trans-105.1142.5173.353.80000109.7
398S30.2Very low33.6Very low104 Ų104142.5 Ų142.573%0.72778%0.784SS**  trans70162175.5800000116.5
399I29Very low32.7Very low163 Ų163146.8 Ų146.884%0.83679%0.792SS**  trans66.3114.1-160.9-43.4168.8000109.1
400I32.2Very low31.9Very low160 Ų160146.6 Ų146.682%0.82181%0.805SS**  cis-113.715330.1-63.7167.4000112.4
401T30.8Very low31.2Very low125 Ų125145 Ų14577%0.76780%0.804SS**  trans-74.9148.4177.242.70000113.6D403T401-D403 PolarHBondContact O-N 3.44Å
402H26.9Very low30.7Very low196 Ų196148.1 Ų148.191%0.90780%0.804SS**  trans-55.2130.5158.2-85.5-101.6000110.4
403D28.9Very low30.2Very low152 Ų152147.8 Ų147.881%0.81381%0.805SS**  trans-159.6157144.5-137.7-30.3000112.7T401T401-D403 PolarHBondContact O-N 3.44Å
404S34.5Very low30Very low111 Ų111144.6 Ų144.678%0.77679%0.788SS**  trans58.7119-179.870.80000117.1
405G26Very low29.4Very low81 Ų81146.1 Ų146.184%0.83579%0.794SS**  trans-93.4132.6-178.700000114.1
406C27.7Very low29.3Very low109 Ų109141.5 Ų141.574%0.73677%0.773SS**  trans-121.1118.8162.9-73.30000110.1Y408C406-Y408 PolarHBondContact O-N 2.04Å
407N25.8Very low29.1Very low173 Ų173141.8 Ų141.893%0.92578%0.775SS**  trans-70.789.8177.3-85.1-30.9000111K409N407-K409 PolarHBondContact O-N 2.83Å
408Y29.7Very low29.1Very low220 Ų220142.9 Ų142.986%0.86377%0.773SS**  trans-65.299.5161.5-87.9-89.7000109.1C406 S410C406-Y408 PolarHBondContact O-N 2.04Å; Y408-S410 PolarHBondContact O-N 3.09Å
409K29Very low29Very low198 Ų198146 Ų14686%0.86178%0.776SS**PPolyproline II helixtrans-57.6134161.7-77.5-177.9173.6178.70107.9N407 A411N407-K409 PolarHBondContact O-N 2.83Å; K409-A411 PolarHBondContact O-N 3.25Å
410S28.7Very low28.8Very low117 Ų117143 Ų14382%0.81877%0.769SS**PPolyproline II helixtrans-54.1131.7175.541.90000110.8Y408Y408-S410 PolarHBondContact O-N 3.09Å
411A30.8Very low28.6Very low82 Ų82141.8 Ų141.868%0.67877%0.772SS**PPolyproline II helixtrans-59.4150.2163.600000109K409 Q413K409-A411 PolarHBondContact O-N 3.25Å; A411-Q413 PolarHBondContact O-N 3.09Å
412R28.4Very low28.5Very low222 Ų222141.3 Ų141.384%0.83877%0.769SS**PPolyproline II helixtrans-61.5128.2178.9-71.4177.8174.1166-2.4109.4W414R412-W414 PolarHBondContact O-N 3.2Å
413Q28.3Very low28.5Very low186 Ų186138.3 Ų138.387%0.86976%0.76SS**PPolyproline II helixtrans-56.7127.9163.8-72.4177-45.300109.3A411A411-Q413 PolarHBondContact O-N 3.09Å
414W30.2Very low28.5Very low134 Ų134139 Ų13951%0.50876%0.763SS.*PPolyproline II helixtrans-83.5124.9166.6-67.491.6000109.5F82 R412 S416F82-W414 HydrophobicContact CB-CH2 3.66Å; F82-W414 HydrophobicContact CB-CZ2 4.2Å; F82-W414 HydrophobicContact CB-CZ3 4.18Å; F82-W414 AromaticContact CD1-CD2 3.97Å; F82-W414 HydrophobicContact CD1-CD2 3.97Å; F82-W414 AromaticContact CD1-CE2 3.98Å; F82-W414 AromaticContact CD1-CE3 3.76Å; F82-W414 HydrophobicContact CD1-CE3 3.76Å; F82-W414 AromaticContact CD1-CH2 3.62Å; F82-W414 HydrophobicContact CD1-CH2 3.62Å; F82-W414 AromaticContact CD1-CZ2 3.83Å; F82-W414 HydrophobicContact CD1-CZ2 3.83Å; F82-W414 AromaticContact CD1-CZ3 3.58Å; F82-W414 HydrophobicContact CD1-CZ3 3.58Å; F82-W414 HydrophobicContact CD2-CH2 4.31Å; F82-W414 AromaticContact CD2-CZ2 3.98Å; F82-W414 HydrophobicContact CD2-CZ2 3.98Å; F82-W414 AromaticContact CE1-CD2 3.66Å; F82-W414 HydrophobicContact CE1-CD2 3.66Å; F82-W414 AromaticContact CE1-CE2 3.79Å; F82-W414 AromaticContact CE1-CE3 3.85Å; F82-W414 HydrophobicContact CE1-CE3 3.85Å; F82-W414 HydrophobicContact CE1-CG 4.12Å; F82-W414 HydrophobicContact CE1-CH2 4.28Å; F82-W414 HydrophobicContact CE1-CZ2 4.1Å; F82-W414 HydrophobicContact CE1-CZ3 4.15Å; F82-W414 HydrophobicContact CE2-CZ2 4.23Å; F82-W414 AromaticContact CG-CH2 3.63Å; F82-W414 HydrophobicContact CG-CH2 3.63Å; F82-W414 AromaticContact CG-CZ2 3.76Å; F82-W414 HydrophobicContact CG-CZ2 3.76Å; F82-W414 HydrophobicContact CG-CZ3 4.07Å; F82-W414 HydrophobicContact CZ-CD2 4.14Å; F82-W414 AromaticContact CZ-CE2 3.9Å; F82-W414 HydrophobicContact CZ-CG 4.38Å; F82-W414 HydrophobicContact CZ-CZ2 4.28Å; F82-W414 AromaticContact CZ-NE1 3.97Å; R412-W414 PolarHBondContact O-N 3.2Å; W414-S416 PolarHBondContact O-N 3.32Å
415T27Very low28.3Very low126 Ų126141.5 Ų141.577%0.77377%0.767SS**PPolyproline II helixtrans-76.9118171.441.90000109.5I417T415-I417 PolarHBondContact O-N 3.43Å; T415-I417 VanDerWaalsContact O-N 3.08Å
416S28.2Very low28.4Very low57 Ų57145.9 Ų145.940%0.39976%0.76SS.*  trans-72.2102.7-179.8-177.60000110.8W414 D418W414-S416 PolarHBondContact O-N 3.32Å; S416-D418 PolarHBondContact O-N 2.86Å
417I28.5Very low28.3Very low164 Ų164149.2 Ų149.284%0.84176%0.758SS**THydrogen-bonded Turntrans-72.172.1168.2-51.5176.8000108.8T415T415-I417 PolarHBondContact O-N 3.43Å; T415-I417 VanDerWaalsContact O-N 3.08Å
418D30.1Very low28.5Very low120 Ų120147.7 Ų147.764%0.64275%0.75SS**THydrogen-bonded Turntrans-161.18.1174.4-96.2-29.8000111.4K37 S416K37-D418 IonicContact NZ-OD2 2.97Å; K37-D418 PolarHBondContact NZ-OD2 2.87Å; S416-D418 PolarHBondContact O-N 2.86Å
419Q28.7Very low28.3Very low171 Ų171142 Ų14280%0.79974%0.742SS**  trans-79.4123.2178.6-72-174.3-51.700111.2
420S25.3Very low28.4Very low98 Ų98137.5 Ų137.569%0.68574%0.736SS**  trans-58.3133.3164.550.90000110.2T422S420-T422 PolarHBondContact O-N 3.3Å; S420-T422 VanDerWaalsContact O-N 3.1Å
421P26.5Very low28.3Very low135 Ų135138.7 Ų138.788%0.87773%0.733SS**  trans-76.4103.3-172.829.9-34.7000111.9
422T29.4Very low28Very low115 Ų115139.3 Ų139.371%0.70673%0.731SS**  trans-129.9133.4160.123.30000109.6S420S420-T422 PolarHBondContact O-N 3.3Å; S420-T422 VanDerWaalsContact O-N 3.1Å
423D27.5Very low27.9Very low133 Ų133139.8 Ų139.871%0.71173%0.733SS**  trans56.772.4169.4-54-22.2000117.5
424L28.3Very low27.7Very low167 Ų167138.3 Ų138.387%0.87473%0.729SS**  trans-12673.2158-151.790.7000111.6Y426L424-Y426 PolarHBondContact O-N 2.04Å
425N31.1Very low27.5Very low163 Ų163141.1 Ų141.187%0.87275%0.746SS**  trans-73.399.9161.2-74.8-30.6000107.3
426Y26.7Very low27.5Very low174 Ų174141 Ų14168%0.68275%0.747SS**  81.196.471-163.2-82.4000112.3L424L424-Y426 PolarHBondContact O-N 2.04Å
427Y26.9Very low27.4Very low178 Ų178141.7 Ų141.770%0.69876%0.764SS**  trans61.9119.3161.8-75.1-118.1000118.8
428D29.2Very low27.3Very low141 Ų141141 Ų14175%0.75476%0.761SS**  -136.515789.5-167.922.5000110.5S430D428-S430 PolarHBondContact OD2-OG 2.85Å
429S24.4Very low27Very low100 Ų100139.8 Ų139.870%0.69976%0.758SS**  trans-144.968.9-173.3175.30000110.8
430S31Very low27Very low104 Ų104138 Ų13873%0.72775%0.754SS**  trans-85.4116.8-178.713.40000113D428D428-S430 PolarHBondContact OD2-OG 2.85Å
431D28.1Very low27.1Very low143 Ų143140.8 Ų140.877%0.76576%0.762SS**  trans-37.5133.6-175.7-97.8-62000120.3
432C23.8Very low27.1Very low94 Ų94137.6 Ų137.664%0.63575%0.754SS**  34.3104.7121.2-59.70000120.3
433R26.7Very low26.9Very low232 Ų232139.9 Ų139.988%0.87576%0.76SS**  177.9147.2100.8-91.3152.7-149.9-130.83.5113.5
434I23.5Very low27Very low155 Ų155141 Ų14180%0.79576%0.764SS**  trans-91.6131.3172-59.9168.2000109.6
435F27.1Very low26.9Very low193 Ų193140.3 Ų140.385%0.84676%0.761SS**  trans-135.9125.4150.5-85.3-76.9000109.3
436P26.4Very low26.8Very low123 Ų123139 Ų13980%0.79976%0.759SS**  trans-85.4130.7179.932.8-32.1000111.2
437G25.5Very low26.7Very low73 Ų73134.2 Ų134.275%0.75376%0.763SS**  trans-16987.5-176.700000116.7
438N26.5Very low26.6Very low149 Ų149131 Ų13180%0.79777%0.773SS**  trans57.2100.3141.7-136.247.1000120.8
439T25.2Very low26.4Very low94 Ų94128.9 Ų128.958%0.57778%0.775SS**  trans33.2120.6131.664.20000120.6
440N27.9Very low26.3Very low133 Ų133135.2 Ų135.271%0.71179%0.786SS**  161.5127.7107.5-81.8-43.3000114.5
441N27Very low26.1Very low157 Ų157135.9 Ų135.984%0.8479%0.787SS**  trans54.9140.1141-53.9-15.4000123.2
442G27.8Very low26.1Very low69 Ų69135.4 Ų135.471%0.71179%0.79SS**  trans95.1121.3174.300000112
443I24.6Very low26.5Very low162 Ų162135.4 Ų135.483%0.83179%0.789SS**  cis59.985.422.1-43.8178.7000113.9
444I29.9Very low26.6Very low156 Ų156133.8 Ų133.880%0.879%0.788SS**  trans-145.7128.5140.5-64-169.4000107.8
445D25.3Very low27Very low154 Ų154131.7 Ų131.782%0.82479%0.787SS**  trans-85.8130.2164.8-70-70.5000110.9
446T29.2Very low27.2Very low135 Ų135129.7 Ų129.783%0.82878%0.781SS**  trans-156.1130.8152.940.50000109.8
447G24.5Very low27.4Very low74 Ų74129.3 Ų129.376%0.76378%0.778SS**  trans-95.8-171.2175.500000114.3
448A24.3Very low27.5Very low109 Ų109131.2 Ų131.290%0.90177%0.77SS**  trans6698.3170.600000118.5
449A25.7Very low27.6Very low97 Ų97131.8 Ų131.880%0.80277%0.773SS**  -168.9133.3129.600000111.4
450Y22.3Very low27.7Very low234 Ų234134.1 Ų134.192%0.91878%0.777SS**  trans-84.4140.2160.8-92.2-90.9000109.8
451P27.5Very low27.5Very low118 Ų118134.1 Ų134.177%0.76678%0.782SS**  trans-124.5103161.934.4-19.6000112.5
452T28.1Very low27.4Very low132 Ų132132.1 Ų132.181%0.8178%0.781SS**  trans-93.6139.3145.453.10000107.2
453P31.6Very low27.3Very low95 Ų95135 Ų13562%0.61778%0.784SS**  -156.9-178.4104.530.3-6.3000116.6
454F29.1Very low27.4Very low197 Ų197134.1 Ų134.186%0.86478%0.781SS**  trans75.6140.2166-57.2-71.9000118.5
455S31.3Very low27.2Very low111 Ų111133.6 Ų133.678%0.77678%0.778SS**  cis-160.8158-12.947.50000114
456E31Very low27.2Very low151 Ų151131.8 Ų131.871%0.70677%0.769SS**  trans-70.4172.7-179.5-139.9-167.9-109.200114.5L458E456-L458 VanDerWaalsContact OE2-CD1 3.29Å; E456-L458 WeakPolarHBondContact OE2-CD1 3.37Å; E456-L458 WeakPolarHBondContact OE2-CG 3.46Å; E456-L458 PolarHBondContact OE2-N 3.1Å
457P32.1Very low26.9Very low115 Ų115135.1 Ų135.175%0.74777%0.766SS**  -147.7138.881.937-18000119.1
458L27.1Very low27Very low113 Ų113138 Ų13859%0.59276%0.764SS**  trans29.7126.8144.1-63.6100.2000123.3E456E456-L458 VanDerWaalsContact OE2-CD1 3.29Å; E456-L458 WeakPolarHBondContact OE2-CD1 3.37Å; E456-L458 WeakPolarHBondContact OE2-CG 3.46Å; E456-L458 PolarHBondContact OE2-N 3.1Å
459L28.2Very low26.9Very low162 Ų162143.8 Ų143.885%0.84876%0.764SS**  -161.992.4110.3-123120.8000110.4
460Q26.4Very low26.9Very low143 Ų143142.6 Ų142.667%0.66876%0.762SS**  76.7101.599.9-85.4-167.4-18.700118.1
461T24.1Very low27Very low133 Ų133138.6 Ų138.682%0.81675%0.753SS**  trans58.1146.8132.957.40000121.2
462S25.9Very low27.1Very low115 Ų115142.8 Ų142.880%0.80476%0.755SS**  cis-149170.31356.40000113.1
463T24.9Very low26.8Very low128 Ų128142.2 Ų142.279%0.78575%0.747SS**  trans-99.4139.8174.852.10000113
464N26.3Very low26.7Very low145 Ų145146.9 Ų146.978%0.77576%0.758SS**  trans-166.4123.6146.4-93.2-29000108.1
465I26Very low26.5Very low144 Ų144141.5 Ų141.574%0.73875%0.745SS**  77.3137.983.8-68.7-178.6000113.6
466D26Very low26.1Very low116 Ų116145 Ų14562%0.6275%0.746SS**  trans75.1102.2173.7-83.5-45.1000120.5
467R23.2Very low26Very low205 Ų205144.2 Ų144.277%0.77475%0.752SS**  56.1140.8116.2-67.4-179.7179.6140.5-12.3122.5
468N25.5Very low25.9Very low134 Ų134143.5 Ų143.572%0.71775%0.747SS**  trans97.4119.8150.9-62.3-26.9000119.6
469Y22.6Very low26.1Very low232 Ų232144.6 Ų144.691%0.9175%0.754SS**  trans22.5117.3137.1-69.5-88.9000119.6
470G26.4Very low25.9Very low72 Ų72146.5 Ų146.574%0.74275%0.751SS**  trans-148.571.7167.400000112.6
471M23.9Very low26.1Very low150 Ų150148.8 Ų148.874%0.73976%0.755SS**  trans-68.8129.6165-95.3-77.3-66.800109.4D473M471-D473 WeakPolarHBondContact CE-OD2 3.43Å
472Y28.4Very low26.3Very low206 Ų206149.4 Ų149.481%0.80875%0.748SS**  trans-137.898.4159.2-89.2-74.4000110.8F474Y472-F474 HydrophobicContact CD1-CE2 4.18Å
473D23.3Very low26.4Very low120 Ų120150.2 Ų150.264%0.64274%0.744SS**  trans-58.1140150.1-82.8-69.8000109.3M471M471-D473 WeakPolarHBondContact CE-OD2 3.43Å
474F28.8Very low26.5Very low193 Ų193150.9 Ų150.985%0.84674%0.738SS**  trans-129.588.5149.8-104.8-76.4000110.8Y472Y472-F474 HydrophobicContact CD1-CE2 4.18Å
475S24.7Very low26.8Very low84 Ų84150.5 Ų150.559%0.58773%0.731SS**  trans-67.7137.7176.853.90000113.3
476F24.1Very low27Very low185 Ų185152.2 Ų152.281%0.81174%0.736SS**  trans59.9130.5148.1-79.5-113.2000120
477T27.4Very low27.1Very low134 Ų134150.1 Ų150.182%0.82274%0.742SS**  -164.4118.3119.26.90000112.6
478P31.4Very low27.6Very low99 Ų99145.8 Ų145.864%0.64374%0.74SS**  trans-101.9133.4165.834.7-27.9000111.9
479N30.4Very low27.9Very low137 Ų137148 Ų14873%0.73375%0.746SS**  trans-145.6123.9162.2-79-60.9000107.7
480Y24.4Very low28.1Very low202 Ų202145.1 Ų145.179%0.79274%0.741SS**  58.1108.174.6-88.2-86.9000114
481Y29.9Very low28.3Very low191 Ų191150.7 Ų150.775%0.74975%0.747SS**  -173.8145101.8-104.6-70.3000114.1
482Q29.2Very low28.7Very low145 Ų145151.8 Ų151.868%0.67875%0.751SS**  trans53.5123.6153.8-81.1147.5-3600119.9
483N27.7Very low28.9Very low132 Ų132151.9 Ų151.971%0.70676%0.755SS**  70141.372.5-65.1-12.8000112.5
484Q28.1Very low29.4Very low143 Ų143154.1 Ų154.167%0.66876%0.762SS**  cis-165.1173.118.1-140158.1-16.900112.7
485H32Very low29.5Very low136 Ų136149.9 Ų149.963%0.6375%0.748SS**  trans70.7129.8169.4-56.2-59.9000116.4
486Q28.8Very low30Very low181 Ų181152.8 Ų152.885%0.84675%0.752SS**  65126.859.3-62.1172-43.300112
487G28.5Very low30.5Very low72 Ų72151.3 Ų151.374%0.74275%0.748SS**  cis-155.4-160.912.600000114.2
488P34.2Very low30.7Very low113 Ų113151.6 Ų151.673%0.73474%0.74SS**  trans-112150.5-151.639.1-33.4000117
489H31.2Very low30.7Very low181 Ų181154.4 Ų154.484%0.83874%0.738SS**  trans-157.4119.4141.2-95.3-80.2000107
490H28.4Very low30.9Very low172 Ų172155 Ų15580%0.79674%0.736SS**  57.967.268.2-82.3-67.4000115.6
491Q31Very low31.3Very low189 Ų189153.5 Ų153.588%0.88374%0.736SS**  trans178.688.4139.5-101.9169.6-1.600112.4
492E31.6Very low31.2Very low173 Ų173151.9 Ų151.981%0.80874%0.735SS**  trans-167.3-20.2158.4-123.7170.7178.200117.2Q494 N495E492-Q494 PolarHBondContact O-N 2.86Å; E492-N495 PolarHBondContact O-N 3.42Å
493K31.9Very low31.2Very low207 Ų207151.5 Ų151.590%0.974%0.737SS**THydrogen-bonded Turntrans-68.332.4-174.6-86.1-167.2171.2-173.50117.1
494Q33.5Very low31.2Very low168 Ų168156 Ų15679%0.78575%0.746SS**THydrogen-bonded Turntrans-128.5-11.7169.5-75.4-177.7-39.600114.3E492E492-Q494 PolarHBondContact O-N 2.86Å
495N32.5Very low31Very low103 Ų103160.2 Ų160.255%0.55176%0.755SS**SBendtrans-101.518.5-174.3-85-18.2000116E492 R499E492-N495 PolarHBondContact O-N 3.42Å; N495-R499 PolarHBondContact O-NE 2.96Å; N495-R499 VanDerWaalsContact O-NE 3.17Å; N495-R499 PolarHBondContact O-NH2 3.44Å
496Q34.5Very low30.8Very low145 Ų145162.5 Ų162.568%0.67877%0.766SS**SBendtrans-112-47.1169.6-88.5171.5-4100112.6Q498 R499 E500Q496-Q498 PolarHBondContact O-N 2.77Å; Q496-R499 PolarHBondContact O-N 3.22Å; Q496-E500 PolarHBondContact O-N 3.28Å
497Q33.8Very low30.5Very low155 Ų155159.4 Ų159.472%0.72476%0.764SS**THydrogen-bonded Turntrans-63.7-14.4178.7-80.4-174.8-3900115.1
498Q33.1Very low30.4Very low140 Ų140161.5 Ų161.565%0.65477%0.767SS**THydrogen-bonded Turntrans-93.9-12.9169.1-73.2-169.5-16.100114.4Q496Q496-Q498 PolarHBondContact O-N 2.77Å
499R30.9Very low30Very low158 Ų158163.4 Ų163.460%0.59677%0.77SS**THydrogen-bonded Turntrans-85.8-34.1175.3-110.6-178.1-70.8-159.60.7112.4N495 Q496 Q501 Q502N495-R499 PolarHBondContact O-NE 2.96Å; N495-R499 VanDerWaalsContact O-NE 3.17Å; N495-R499 PolarHBondContact O-NH2 3.44Å; Q496-R499 PolarHBondContact O-N 3.22Å; R499-Q501 PolarHBondContact O-N 3.26Å; R499-Q502 PolarHBondContact O-N 3.25Å; R499-Q502 VanDerWaalsContact O-N 3.16Å
500E33.8Very low29.8Very low150 Ų150158.1 Ų158.170%0.70176%0.764SS**THydrogen-bonded Turntrans-68.8-14.6175.8-67.5172.215700113.1Q496Q496-E500 PolarHBondContact O-N 3.28Å
501Q32.4Very low29.9Very low169 Ų169156 Ų15679%0.7976%0.763SS**THydrogen-bonded Turntrans-90.95.3173-67.3-168.7-17.200114.5R499R499-Q501 PolarHBondContact O-N 3.26Å
502Q28.7Very low29.8Very low157 Ų157153.5 Ų153.573%0.73476%0.761SS**SBendtrans-120.7-1.6-177.6-68.3-166.3-15.100115.7R499R499-Q502 PolarHBondContact O-N 3.25Å; R499-Q502 VanDerWaalsContact O-N 3.16Å
503I28.2Very low29.5Very low138 Ų138148.2 Ų148.271%0.70875%0.753SS**SBendtrans-112.942.8-178.6-39.6-176.6000112.2
504Y28.1Very low29.2Very low227 Ų227149.3 Ų149.389%0.8975%0.753SS**  trans-139.569.7163.5-91-77.4000110.5
505R24.5Very low28.9Very low230 Ų230150.1 Ų150.187%0.86876%0.756SS**  trans-12856.3172.7-82.5-167.1169.3-160.4-1.6112.4
506H26.8Very low28.6Very low185 Ų185149.3 Ų149.386%0.85676%0.759SS**SBendtrans-121.574.7169.2-78.7-87.3000111.5S508H506-S508 PolarHBondContact O-N 2.75Å
507S23.3Very low28.2Very low116 Ų116150.8 Ų150.881%0.81177%0.766SS**  trans36.879.2144.6-52.50000119.4
508S27.2Very low27.8Very low115 Ų115150.9 Ų150.980%0.80477%0.77SS**  trans-127.393.9152.551.40000110.2H506 G510H506-S508 PolarHBondContact O-N 2.75Å; S508-G510 PolarHBondContact O-N 2.84Å
509I25.7Very low27.6Very low154 Ų154152.6 Ų152.679%0.7978%0.783SS**  trans-79.983.7-178.5-58.3179.8000109.4T511I509-T511 HydrophobicContact CG2-CG2 3.74Å; I509-T511 PolarHBondContact O-N 3.33Å
510G26.7Very low27.4Very low69 Ų69152 Ų15271%0.71179%0.792SS**  trans-91.473.9169.500000111.6S508 T512S508-G510 PolarHBondContact O-N 2.84Å; G510-T512 PolarHBondContact O-N 2.86Å; G510-T512 VanDerWaalsContact O-N 3.15Å
511T29.4Very low27.1Very low127 Ų127153.3 Ų153.378%0.77980%0.798SS**  trans-73.7101.9-178.237.50000112.7I509 G513I509-T511 HydrophobicContact CG2-CG2 3.74Å; I509-T511 PolarHBondContact O-N 3.33Å; T511-G513 PolarHBondContact O-N 3.28Å
512T29.1Very low27Very low138 Ų138153.1 Ų153.185%0.84780%0.802SS**  trans-77111.2166.651.20000111.6G510G510-T512 PolarHBondContact O-N 2.86Å; G510-T512 VanDerWaalsContact O-N 3.15Å
513G25.5Very low27Very low61 Ų61148.6 Ų148.663%0.62980%0.798SS**SBendtrans77.2133.4155.300000117.9T511T511-G513 PolarHBondContact O-N 3.28Å
514Y25.2Very low27.1Very low231 Ų231150.8 Ų150.891%0.90680%0.803SS**  trans50.789.2161-61.1-88.4000117.8
515H27.9Very low27.1Very low184 Ų184145.9 Ų145.985%0.85280%0.796SS**  -153.4130.8111.9-121.8-80000112
516S26Very low27.3Very low87 Ų87141.2 Ų141.261%0.60879%0.794SS**  trans-87170.2157.8480000109.9
517E25.2Very low27.5Very low176 Ų176138 Ų13882%0.82278%0.781SS**  trans80.8155.6175.2-54168.7-168.100115.8
518L27Very low27.8Very low157 Ų157136 Ų13682%0.82277%0.766SS**  trans71.448.3173.2-55.1178.7000119.4
519L28.6Very low28Very low175 Ų175139.9 Ų139.992%0.91677%0.768SS**  trans-130.6102.2136.5-83.7-179.9000109.2
520N27Very low28.4Very low147 Ų147139.6 Ų139.679%0.78677%0.768SS**  trans-69.9146.9179.3-92.80.8000112
521E27Very low28.7Very low176 Ų176142.3 Ų142.382%0.82277%0.766SS**THydrogen-bonded Turntrans-59.1154.9163.6-59.8174.4145.500110.3
522N30.9Very low28.7Very low166 Ų166145 Ų14589%0.88876%0.763SS**THydrogen-bonded Turntrans79.511.9-176.9-43.3-59.5000117.6F524N522-F524 PolarHBondContact O-N 3.06Å
523G27.8Very low28.6Very low62 Ų62145.9 Ų145.964%0.63976%0.762SS**  trans-79.8-0.8-176.800000118.6
524F30.6Very low28.6Very low184 Ų184147.7 Ų147.781%0.80777%0.765SS**  trans-11488.1-170.8-79.2-83.9000114N522 I527N522-F524 PolarHBondContact O-N 3.06Å; F524-I527 HydrophobicContact CE1-CD1 4.42Å
525T28.1Very low28.7Very low123 Ų123143.3 Ų143.376%0.75576%0.757SS**  trans-108.1119.4163.353.30000110.6
526T28.9Very low28.7Very low133 Ų133145.8 Ų145.882%0.81676%0.759SS**  trans50.589.7166.355.80000117.2
527I31.4Very low28.6Very low116 Ų116152 Ų15260%0.59577%0.771SS**  trans-80.3129.6152.6-61.1175.4000107.6F524F524-I527 HydrophobicContact CE1-CD1 4.42Å
528P28.4Very low28.6Very low75 Ų75151.9 Ų151.949%0.48777%0.772SS.*  trans-61.3142175.4-23.633.4000112.6D530 L531P528-D530 PolarHBondContact O-N 3.39Å; P528-L531 HydrophobicContact CB-CD1 4.48Å; P528-L531 HydrophobicContact CG-CD1 4.29Å
529K32.2Very low28.6Very low196 Ų196151.1 Ų151.185%0.85277%0.774SS**G310 helixtrans-61.8-25.7176.7-72.1-167.1171.5-165.10112.8L531K529-L531 PolarHBondContact O-N 3.43Å
530D33.6Very low28.4Very low148 Ų148154.2 Ų154.279%0.79177%0.774SS**G310 helixtrans-80.10.6-170.2-39.4-63.6000114P528P528-D530 PolarHBondContact O-N 3.39Å
531L32.2Very low28.4Very low127 Ų127153.2 Ų153.267%0.66577%0.768SS**G310 helixtrans-85.2-6.6177-97.8148.1000114.2P528 K529P528-L531 HydrophobicContact CB-CD1 4.48Å; P528-L531 HydrophobicContact CG-CD1 4.29Å; K529-L531 PolarHBondContact O-N 3.43Å
532Y29.3Very low28.3Very low184 Ų184149.6 Ų149.672%0.72277%0.769SS**SBendtrans-118.385.7171.7-79.8-91.9000110.8
533L28.3Very low28.2Very low155 Ų155147.4 Ų147.481%0.81276%0.761SS**  trans167.2127.1141.5-94.8159.9000112
534S25.2Very low28.3Very low100 Ų100148 Ų14870%0.69976%0.76SS**  trans-157.7136.8146.3-146.40000112.2
535N27.5Very low28.3Very low139 Ų139149.4 Ų149.474%0.74377%0.766SS**SBendtrans63.677.5159.3-56.1-30.2000119.4
536R27Very low28.4Very low235 Ų235152.1 Ų152.189%0.88777%0.77SS**  -167.896.799.8-107179.2-78-164.4-1.6113.6M538R536-M538 PolarHBondContact O-N 3.35Å
537Y25.4Very low28.3Very low219 Ų219151 Ų15186%0.85977%0.766SS**  trans-73.9116.1156.7-75.4-84.8000108.9
538M25.2Very low28.3Very low172 Ų172150.8 Ų150.885%0.84777%0.771SS**  trans-106111.6156.6-76.5-171.970.600108R536 W540R536-M538 PolarHBondContact O-N 3.35Å; M538-W540 PolarHBondContact O-N 3.41Å
539T25.3Very low28.2Very low141 Ų141153.3 Ų153.387%0.86579%0.789SS**  trans-64.9118.2176.648.20000110.2
540W25.8Very low27.9Very low240 Ų240154 Ų15491%0.90979%0.788SS**  trans-107.1146.1169.9-148.159.6000111.4M538M538-W540 PolarHBondContact O-N 3.41Å
541N26.2Very low27.6Very low126 Ų126151.6 Ų151.667%0.67479%0.789SS**  trans-90.6135.5-155.4-154.9-2.9000112.7T543N541-T543 PolarHBondContact O-N 2.78Å
542A26Very low27.4Very low101 Ų101151.5 Ų151.584%0.83579%0.794SS**SBendtrans-8248.4-166.900000114.3
543T28.2Very low27.3Very low119 Ų119148 Ų14873%0.7380%0.796SS**  trans-137.130.1-171.141.50000115.3N541N541-T543 PolarHBondContact O-N 2.78Å
544A30.3Very low27.2Very low75 Ų75146.2 Ų146.262%0.6279%0.791SS**  trans-110.7104.1169.800000111.7Q546A544-Q546 PolarHBondContact O-N 2.04Å
545K29.4Very low27.3Very low214 Ų214150.7 Ų150.793%0.9380%0.798SS**  trans-70.3112.5178.8-71.5-179.6177.3177.60111.3
546Q30.1Very low27.3Very low180 Ų180153 Ų15384%0.84181%0.805SS**PPolyproline II helixtrans-74.9141.7163.4-66.6-175.1-1.900110.5A544A544-Q546 PolarHBondContact O-N 2.04Å
547P28.5Very low27.3Very low110 Ų110146.4 Ų146.471%0.71479%0.794SS**PPolyproline II helixtrans-75.9144.317031.9-33.6000110.7C549P547-C549 PolarHBondContact O-N 3.1Å
548P29.3Very low27.4Very low110 Ų110141.4 Ų141.471%0.71479%0.791SS**PPolyproline II helixtrans-75.6120.4-17829.7-34000111.9
549C26.4Very low27.6Very low128 Ų128141.8 Ų141.887%0.86580%0.796SS**PPolyproline II helixtrans-78.8118.4165.2-710000109.6P547 A551P547-C549 PolarHBondContact O-N 3.1Å; C549-A551 PolarHBondContact O-N 2.89Å
550Y27.8Very low27.7Very low212 Ų212141.1 Ų141.183%0.83179%0.787SS**PPolyproline II helixtrans-67.4128176.2-79-100.8000111.1T552Y550-T552 PolarHBondContact O-N 3.46Å
551A26.9Very low28Very low97 Ų97137.9 Ų137.980%0.80278%0.779SS**  trans-74.8101.617000000110.2C549 S553C549-A551 PolarHBondContact O-N 2.89Å; A551-S553 PolarHBondContact O-N 3.25Å
552T26.8Very low28.2Very low125 Ų125141.6 Ų141.677%0.76778%0.784SS**  trans-75.886.1171.549.50000110.3Y550 V554Y550-T552 PolarHBondContact O-N 3.46Å; T552-V554 PolarHBondContact O-N 3.4Å
553S27.3Very low28.4Very low111 Ų111143 Ų14378%0.77678%0.777SS**  trans-7289.6174460000111.2A551 K555A551-S553 PolarHBondContact O-N 3.25Å; S553-K555 VanDerWaalsContact C-N 3.28Å; S553-K555 PolarHBondContact O-N 2.81Å
554V27.1Very low28.6Very low116 Ų116147.7 Ų147.770%0.70378%0.783SS**  trans-7481.8175.2-175.20000110T552 Q556T552-V554 PolarHBondContact O-N 3.4Å; V554-Q556 HydrophobicContact CG1-CG 4.12Å; V554-Q556 PolarHBondContact O-N 2.91Å; V554-Q556 VanDerWaalsContact O-N 3.13Å
555K27.5Very low28.6Very low194 Ų194147.6 Ų147.684%0.84378%0.783SS**  trans-70.596.2157.1-83.9-170.9172.5-1760108.4S553 S557S553-K555 VanDerWaalsContact C-N 3.28Å; S553-K555 PolarHBondContact O-N 2.81Å; K555-S557 PolarHBondContact O-N 3.37Å; K555-S557 VanDerWaalsContact O-N 3.16Å
556Q27.6Very low28.7Very low189 Ų189145.4 Ų145.488%0.88378%0.776SS**  trans-71.3103.6161.7-91.8177.9-3200108.9V554V554-Q556 HydrophobicContact CG1-CG 4.12Å; V554-Q556 PolarHBondContact O-N 2.91Å; V554-Q556 VanDerWaalsContact O-N 3.13Å
557S25.8Very low28.6Very low96 Ų96143 Ų14367%0.67177%0.768SS**  trans-123.6144.1169.757.70000109.9K555K555-S557 PolarHBondContact O-N 3.37Å; K555-S557 VanDerWaalsContact O-N 3.16Å
558S27.1Very low28.8Very low114 Ų114147 Ų14780%0.79778%0.775SS**  trans54.5102.5174.863.50000117.1
559L30.5Very low29Very low179 Ų179149.4 Ų149.494%0.93778%0.777SS**  -139.2120.8124.3-119.7168.8000109.1
560D27.5Very low29.4Very low128 Ų128150 Ų15068%0.68477%0.772SS**  trans-92.1130.2-166.9163.635.1000112.1
561K32.7Very low29.5Very low172 Ų172142.7 Ų142.775%0.74876%0.761SS**  trans-173124.4136.8-101.1143.6-163.5161.20115.2
562R29.7Very low29.8Very low203 Ų203148 Ų14877%0.76676%0.761SS**  trans83.1113.8143.6-64171.4-179.3175.8-0.8120.6
563N30.8Very low30Very low131 Ų131149.5 Ų149.570%0.70177%0.765SS**  trans65.2110.1135.6-47.84.3000116.5
564Y32Very low30.3Very low217 Ų217148 Ų14885%0.85177%0.767SS**  -160.7166.156.4-104-88.6000112.7
565A29.1Very low30.4Very low74 Ų74154.6 Ų154.661%0.61278%0.779SS**  trans10.1142.1150.600000120.7
566E32.6Very low30.6Very low167 Ų167150.6 Ų150.678%0.7878%0.775SS**  cis-161.3148.96-116.2160.4-152.700111.8
567N28.5Very low30.4Very low129 Ų129150.2 Ų150.269%0.6978%0.776SS**  trans24.7121.8152.5-46.5-25.9000121.8
568F32.3Very low30.8Very low195 Ų195153.4 Ų153.486%0.85578%0.784SS**  177.1148.7107.8-104.7-77.7000111.8
569E32.2Very low30.7Very low160 Ų160154.7 Ų154.775%0.74878%0.782SS**  trans-95168.7-176-47.395116.400113
570D35.3Very low30.8Very low142 Ų142153.3 Ų153.376%0.75977%0.774SS**  cis-144-163.85.5-157.130.4000107.8
571G30.6Very low30.7Very low58 Ų58154.5 Ų154.560%0.59878%0.781SS**  cis170-16810.800000118.3
572Y32.2Very low30.4Very low207 Ų207150.8 Ų150.881%0.81278%0.777SS**  trans40.980162.6-87.1-92000121
573N32Very low30.4Very low158 Ų158151 Ų15185%0.84578%0.779SS**  39.8124.1122-73.5-51.1000122.2
574G32.5Very low30.3Very low80 Ų80154.9 Ų154.983%0.82578%0.784SS**  trans-163.896.8158.600000114.4
575R29.6Very low30.3Very low254 Ų254149.9 Ų149.996%0.95878%0.778SS**  trans-82.4161.2167.6-88.9178167.5175.7-3.8109.6
576S31.6Very low30.5Very low109 Ų109153.6 Ų153.676%0.76279%0.787SS**  cis-157.3175.836.557.40000113.8
577M24.6Very low30.4Very low182 Ų182153.5 Ų153.590%0.89779%0.792SS**  trans-114.2147.5167.1-64.9-178-71.400110.4
578I32.9Very low30.6Very low163 Ų163151.9 Ų151.984%0.83679%0.788SS**  trans-134.1137.3151.8-61.3-176.7000108
579N26Very low30.4Very low140 Ų140152.9 Ų152.975%0.74979%0.788SS**  trans-134.9133.2-179.9171.713.8000107.7
580L31.3Very low30.3Very low150 Ų150154.6 Ų154.679%0.78579%0.793SS**  trans-156.395.7175.8-111.3162.2000111.7
581N25.8Very low30Very low154 Ų154155.3 Ų155.382%0.82479%0.794SS**  trans-95.1125.3161.9-99.9-28000109.1
582S27.4Very low29.9Very low94 Ų94158.1 Ų158.166%0.65780%0.795SS**  trans176.6167.6144.848.10000112.6
583Y28.5Very low29.6Very low208 Ų208155.1 Ų155.182%0.81679%0.789SS**  trans74.1144.7177.7-73.8-103.7000118.4
584R30.2Very low29.5Very low212 Ų212156 Ų15680%0.879%0.787SS**  cis-168.8132.6-42.8-161.1174.8-165.6179.95.2105
585P31.9Very low29.2Very low111 Ų111157.9 Ų157.972%0.72179%0.788SS**  trans-79.5144.6-178.832.1-35.1000112.2
586N31.6Very low29Very low153 Ų153157 Ų15782%0.81878%0.784SS**  trans175.6118.5142.4-93.6-11.1000110
587D31.7Very low28.7Very low165 Ų165160.3 Ų160.388%0.88279%0.785SS**  trans-167.3120139-113.6-16.7000110.9
588P31.6Very low28.9Very low94 Ų94157.9 Ų157.961%0.6178%0.783SS**  trans-97.8170.9170.934.5-28000112.8
589Y29.3Very low28.5Very low217 Ų217155 Ų15585%0.85177%0.773SS**  trans69.8100.4174.7-52.9-81.9000118.1
590K30.7Very low28.7Very low195 Ų195155.5 Ų155.585%0.84878%0.776SS**  -169143.8113.6-102.7159.2-177.2173.80112.9
591M29Very low28.4Very low158 Ų158155 Ų15578%0.77877%0.773SS**  trans21.8138.2136.6-49-59.4-177.900119
592N27.5Very low28.7Very low116 Ų116155.8 Ų155.862%0.6278%0.777SS**  cis-162.7-170.8-13.9-127.532000107.8
593E26.7Very low28.7Very low145 Ų145158.3 Ų158.368%0.67878%0.783SS**  trans-11.1136.5160.1-58.8133.3158.200116.4
594H30.2Very low28.9Very low177 Ų177153.8 Ų153.882%0.81978%0.779SS**  -152.5118.573.4-88.262000113.6
595S24.6Very low28.7Very low119 Ų119149.5 Ų149.583%0.83277%0.771SS**  trans-106.8106.3157-61.40000108.7
596R26.9Very low28.4Very low234 Ų234153.2 Ų153.288%0.88378%0.776SS**  trans-162.1149.9167-112.3160-155-156.84.1113.7
597F23.5Very low28.3Very low179 Ų179150.8 Ų150.879%0.78577%0.767SS**  trans-67.6155.1174.4-67.4-109.5000111.9V599F597-V599 HydrophobicContact CB-CG2 3.91Å; F597-V599 PolarHBondContact O-N 3.44Å
598P29.7Very low28.1Very low132 Ų132149.1 Ų149.186%0.85776%0.758SS**  trans-72.8112.4147.931.6-29000109.2
599V24.5Very low28.1Very low102 Ų102150.2 Ų150.262%0.61876%0.759SS**  trans-129.9112.9164.91750000108.1F597 L601F597-V599 HydrophobicContact CB-CG2 3.91Å; F597-V599 PolarHBondContact O-N 3.44Å; V599-L601 HydrophobicContact CG1-CD1 4.25Å
600N29.2Very low28.4Very low151 Ų151145.4 Ų145.481%0.80775%0.748SS**  trans-154.6126.1153.8-94.5-15.4000104.6
601L26.8Very low28.7Very low138 Ų138141.4 Ų141.472%0.72374%0.736SS**  57.395.855-72.4135.7000112.5V599V599-L601 HydrophobicContact CG1-CD1 4.25Å
602D32Very low28.9Very low172 Ų172139.8 Ų139.892%0.9273%0.73SS**  -152.3129.1128.8-96.3-35.9000109.5
603N27.4Very low29.3Very low147 Ų147139.4 Ų139.479%0.78673%0.733SS**  trans-110.3140.7172.5-115-11.4000106.3
604P32.3Very low29.7Very low112 Ų112139 Ų13973%0.72773%0.734SS**  -151.4129.698.634.2-14.4000114.6
605I25.5Very low29.8Very low123 Ų123136.7 Ų136.763%0.63173%0.727SS**  85.5136.790.7-71.5167.1000115.6
606F26.7Very low30.1Very low188 Ų188136.7 Ų136.783%0.82572%0.718SS**  trans67.8144.8165.6-65.1-25.9000118.3
607T28Very low30.2Very low102 Ų102131.4 Ų131.463%0.62671%0.707SS**  cis-160.4149.4-7.814.40000110.1
608N28.3Very low30.4Very low131 Ų131128.7 Ų128.770%0.70171%0.706SS**  trans60.3146.3139.3-63.216.7000119.8
609N32Very low30.3Very low117 Ų117127.8 Ų127.863%0.62670%0.702SS**  cis-159.3152.92.5-118.113000110.9
610N34.8Very low30.3Very low116 Ų116133.4 Ų133.462%0.6271%0.712SS**  trans64.6144.2144.4-6644.5000119
611D36.4Very low30.1Very low110 Ų110136 Ų13659%0.58871%0.712SS**  cis-160.9151.5-0.6-116.2-12.2000113
612N34.2Very low30Very low125 Ų125137.1 Ų137.167%0.66872%0.718SS**  trans63.5137.8143.9-61.9-29.5000120.2
613T35.8Very low29.6Very low108 Ų108138 Ų13866%0.66372%0.716SS**  cis-162.6145.8-0.8100000112.8
614I34.5Very low29.5Very low137 Ų137136.8 Ų136.870%0.70372%0.717SS**  trans83.6102.7139-68.7165.2000120.8
615N33Very low29.4Very low127 Ų127137.2 Ų137.268%0.67972%0.722SS**  50.9145.9121.7-56.539000121.2
616D30.1Very low29.4Very low120 Ų120142 Ų14264%0.64273%0.734SS**  cis-165165.9-7.8-115.6-31.5000113.8
617N30.2Very low29.5Very low122 Ų122140.1 Ų140.165%0.65273%0.733SS**  trans64100.6149.4-70.3-40.2000123.1
618T26.3Very low29.4Very low123 Ų123140.3 Ų140.376%0.75574%0.736SS**  88.8147.1123.563.10000123.6
619S27.5Very low29.4Very low112 Ų112141.9 Ų141.978%0.78374%0.743SS**  trans76.789.1162.655.80000121.4
620R24.4Very low29.1Very low220 Ų220144.8 Ų144.883%0.8376%0.758SS**  trans11.8121.8136.3-43.5174.3-165.9172.64.2117.8
621Y24.8Very low28.7Very low205 Ų205144.9 Ų144.980%0.80477%0.767SS**  -176.8166.891.8-106.3-76.2000111.6
622L24.9Very low28.3Very low162 Ų162144.8 Ų144.885%0.84878%0.775SS**PPolyproline II helixtrans-76.5137.7-178.3-67.3122000112.2
623Q24.2Very low27.9Very low190 Ų190145.2 Ų145.289%0.88878%0.777SS**PPolyproline II helixtrans-93125.8171.4-68.9-179.1-4600111.6
624P26.4Very low27.6Very low123 Ų123147.6 Ų147.680%0.79978%0.78SS**PPolyproline II helixtrans-77.2152.4155.2-7.425.8000110.5
625S28.6Very low27.3Very low120 Ų120148 Ų14884%0.83978%0.783SS**PPolyproline II helixtrans-74.8148.3-178.247.20000114
626Y26.2Very low26.9Very low223 Ų223146.1 Ų146.188%0.87578%0.78SS**PPolyproline II helixtrans-46.6144-178.6-81.6-107000115.5
627N28.9Very low26.9Very low150 Ų150151.9 Ų151.980%0.80280%0.795SS**  trans-134.9111.2164-17016.4000109.5
628P25.8Very low26.6Very low106 Ų106152.3 Ų152.369%0.68880%0.796SS**  trans-103.492.2-165.336.8-32.7000114.4
629L28.2Very low26.7Very low164 Ų164152.8 Ų152.886%0.85980%0.799SS**  trans-141.193.3164.7-78.9178000111.1
630L25.6Very low26.6Very low177 Ų177154.5 Ų154.593%0.92780%0.799SS**  trans-15477170.4-16378.1000112.8
631S27.1Very low26.6Very low118 Ų118147.4 Ų147.483%0.82579%0.794SS**  trans-166.7136164.149.60000109.5
632S28.6Very low26.8Very low108 Ų108148.4 Ų148.476%0.75580%0.798SS**  cis-102.8168.8-10.864.70000109.8
633I25.8Very low26.8Very low135 Ų135149.2 Ų149.269%0.69280%0.795SS**  cis70.9133.932.8-52.8179000112.9
634H27.8Very low27.1Very low158 Ų158146.3 Ų146.373%0.73179%0.786SS**  trans70125.4-164.5-63.8-71.2000115.1
635D28.7Very low27.1Very low145 Ų145147.4 Ų147.478%0.77578%0.78SS**  cis-140.1152.6-5.5-99.7-37.7000113.1
636S24.1Very low27.1Very low88 Ų88149.1 Ų149.162%0.61578%0.779SS**  trans-105.6134.9-175.858.20000112.4
637Y29.7Very low27.3Very low241 Ų241143.8 Ų143.895%0.94577%0.772SS**  trans-136.8124.9148.6-94.9-74000111.4
638I25.6Very low27.1Very low131 Ų131144.2 Ų144.267%0.67277%0.774SS**  trans-107.5129.9-179.8-63.2166.6000108.4
639T27.5Very low27.3Very low133 Ų133148.2 Ų148.282%0.81679%0.786SS**  trans-168105.5140.726.50000107.1
640N25.7Very low27.2Very low148 Ų148148.2 Ų148.279%0.79178%0.781SS**  56.7104.982.6-70.2-3.3000113.5
641G25.3Very low27.3Very low71 Ų71146.1 Ų146.173%0.73277%0.771SS**  trans165.490.7168.600000115.6
642Y27.5Very low27.2Very low225 Ų225147 Ų14788%0.88277%0.767SS**  trans45.7110.1156.8-75.2-91000120.5
643F25.5Very low27Very low179 Ų179151.1 Ų151.179%0.78577%0.767SS**  trans-72.2146.8140.4-88.5-103000109.7
644D29.8Very low27Very low129 Ų129150.4 Ų150.469%0.6977%0.769SS**  trans-158.4122132.1-115.7-33000113.2
645Q27.8Very low27Very low146 Ų146150.7 Ų150.768%0.68278%0.776SS**  trans46106.3147.4-66.2170.363.600122.9
646L29Very low27Very low157 Ų157151.5 Ų151.582%0.82278%0.775SS**  69.5164.5124.5-67.1166.6000120.5
647P28.5Very low27.2Very low111 Ų111154.9 Ų154.972%0.72179%0.786SS**  cis-123-171.8-17.137.9-21.8000113.4
648N26.1Very low27.2Very low159 Ų159149.1 Ų149.185%0.8577%0.772SS**  trans-54.5138.4169.5-65.6-25.4000113.1
649M28.5Very low27.3Very low189 Ų189150.3 Ų150.393%0.93178%0.78SS**  trans-132126.1148.7-87.6-65.3-163.500108.8
650E27Very low27.3Very low164 Ų164154.2 Ų154.277%0.76678%0.781SS**  trans-104.9131.6178.9-178.4178.3-163.100108
651N27.4Very low27.3Very low134 Ų134151.9 Ų151.972%0.71778%0.782SS**  trans51.2113.7175.5-50.6-33.3000115.3
652D25.8Very low27.4Very low137 Ų137156.2 Ų156.273%0.73379%0.787SS**  -176.9164.679.5-107.4-21.2000114.2
653Y24.8Very low27.4Very low194 Ų194152.4 Ų152.476%0.76178%0.782SS**  trans21.3143.4154.4-73.1-87.9000124.8
654T25.9Very low27.6Very low120 Ų120151 Ų15174%0.73678%0.782SS**  trans80.2133.714339.70000121.9Q656T654-Q656 PolarHBondContact O-N 2.97Å
655N27.5Very low27.5Very low163 Ų163149.4 Ų149.487%0.87278%0.782SS**  trans-43.1126.6159.5-65.5-39.8000113
656Q28.5Very low27.5Very low162 Ų162149 Ų14976%0.75778%0.784SS**  trans-145.3123.4150.8-125.3152.4-14.400111.3T654 D658T654-Q656 PolarHBondContact O-N 2.97Å; Q656-D658 PolarHBondContact O-N 2.86Å
657N27.8Very low27.5Very low159 Ų159149 Ų14985%0.8579%0.785SS**  trans-88.487.9175.8-75.4-37.1000108.7
658D31.1Very low27.5Very low120 Ų120154.5 Ų154.564%0.64279%0.793SS**  trans-100.9115.6177.1-79.6-59.3000112.5Q656 Y660Q656-D658 PolarHBondContact O-N 2.86Å; D658-Y660 PolarHBondContact O-N 3.18Å
659N26.9Very low27.6Very low156 Ų156154.5 Ų154.583%0.83479%0.792SS**  trans-83102.4-179.8-67.5-91.1000109.3A661N659-A661 PolarHBondContact O-N 3.45Å; N659-A661 VanDerWaalsContact O-N 3.11Å
660Y27.8Very low27.4Very low215 Ų215152.6 Ų152.684%0.84379%0.785SS**  trans-73.7102.4168.9-88.5-85.8000111D658D658-Y660 PolarHBondContact O-N 3.18Å
661A24.6Very low27.6Very low99 Ų99153.1 Ų153.182%0.81878%0.781SS**  trans-74.1126.4167.200000110N659N659-A661 PolarHBondContact O-N 3.45Å; N659-A661 VanDerWaalsContact O-N 3.11Å
662I28.5Very low27.7Very low162 Ų162154.8 Ų154.883%0.83178%0.782SS**  trans-121.9144.9168.5-64.5-177.4000108.3
663N27.6Very low27.8Very low146 Ų146153.6 Ų153.678%0.78178%0.782SS**  trans-85.8166.7-159.3-157.215.3000114.2
664D28.6Very low28.2Very low148 Ų148149.8 Ų149.879%0.79178%0.779SS**  trans-40.1128.4-172.2-73.1-47.3000117.3
665S27.5Very low28.4Very low97 Ų97152.3 Ų152.368%0.67878%0.782SS**  179.5153.310246.90000114.3
666N29.4Very low28.5Very low136 Ų136150.9 Ų150.973%0.72777%0.774SS**SBendtrans72.294.6164.5-54.8-48.4000119.8Y668N666-Y668 PolarHBondContact O-N 2.97Å
667N27.5Very low28.4Very low159 Ų159149.6 Ų149.685%0.8578%0.778SS**  trans41.970.3141-75.8-6.3000119.5
668Y28.2Very low28.6Very low226 Ų226148.3 Ų148.389%0.88677%0.769SS**  trans-131.5153.3152.6-78.8-79.8000112.1N666 L670N666-Y668 PolarHBondContact O-N 2.97Å; Y668-L670 PolarHBondContact O-N 3.24Å; Y668-L670 VanDerWaalsContact O-N 3.1Å
669L28.4Very low28.4Very low159 Ų159149 Ų14983%0.83277%0.773SS**  trans-67.1105.9-175.1-82159.2000110.9Y671L669-Y671 PolarHBondContact O-N 2.8Å
670L25.7Very low28.4Very low149 Ų149149 Ų14978%0.7877%0.772SS**  trans-72.1100.5-178.9-161.481.4000110.9Y668 K672Y668-L670 PolarHBondContact O-N 3.24Å; Y668-L670 VanDerWaalsContact O-N 3.1Å; L670-K672 PolarHBondContact O-N 2.81Å
671Y29.4Very low28.4Very low175 Ų175144.4 Ų144.469%0.68676%0.762SS**  trans-63.497168.3-105-83000109.7L669L669-Y671 PolarHBondContact O-N 2.8Å
672K29.4Very low28.7Very low169 Ų169145.2 Ų145.274%0.73576%0.762SS**  trans-77.6122.8165.1-85.8-169.2171.4-174.10109.3L670 V674L670-K672 PolarHBondContact O-N 2.81Å; K672-V674 PolarHBondContact O-N 3.36Å
673P29.3Very low28.7Very low112 Ų112144 Ų14473%0.72776%0.757SS**  trans-62.9130.9164.727.5-32.7000108.8Q675P673-Q675 PolarHBondContact O-N 2.74Å
674V32.7Very low28.9Very low114 Ų114143.6 Ų143.669%0.69176%0.755SS**  trans-75.5109.7175.3177.40000107.9K672 D676K672-V674 PolarHBondContact O-N 3.36Å; V674-D676 PolarHBondContact O-N 3.18Å
675Q30Very low29Very low173 Ų173145.8 Ų145.881%0.80875%0.753SS**  trans-71.1121.6167.5-70.8175.5-65.200108.6P673 T677P673-Q675 PolarHBondContact O-N 2.74Å; Q675-T677 PolarHBondContact O-N 2.95Å
676D30.7Very low29.2Very low132 Ų132146.9 Ų146.971%0.70675%0.752SS**  trans-67.5101-175.2-100.2-32.2000111.9V674 I678V674-D676 PolarHBondContact O-N 3.18Å; D676-I678 HydrophobicContact CB-CD1 4.32Å; D676-I678 HydrophobicContact CB-CG1 4.21Å; D676-I678 PolarHBondContact O-N 3.03Å
677T26Very low29.2Very low136 Ų136148 Ų14883%0.83475%0.753SS**  trans-76.660.4175.3-41.50000111.6Q675 N679Q675-T677 PolarHBondContact O-N 2.95Å; T677-N679 PolarHBondContact O-N 3.2Å
678I30.6Very low29.4Very low131 Ų131146.7 Ų146.767%0.67274%0.744SS**  trans-72.594.8177.6-63.8175.5000109.2D676 L680D676-I678 HydrophobicContact CB-CD1 4.32Å; D676-I678 HydrophobicContact CB-CG1 4.21Å; D676-I678 PolarHBondContact O-N 3.03Å; I678-L680 PolarHBondContact O-N 3.17Å
679N27.4Very low29.5Very low134 Ų134143.2 Ų143.272%0.71774%0.736SS**  trans-73.290.1-179.7-164.4-14.2000110.6T677 N681T677-N679 PolarHBondContact O-N 3.2Å; N679-N681 PolarHBondContact O-N 3.44Å
680L27Very low29.4Very low157 Ų157142.3 Ų142.382%0.82273%0.729SS**  trans-56.8117178.9-83.1161.4000111.2I678I678-L680 PolarHBondContact O-N 3.17Å
681N27.3Very low29.6Very low119 Ų119141.5 Ų141.564%0.63673%0.725SS**  trans-15685.8171.5-134.4-27.6000111K270 N679K270-N681 PolarHBondContact NZ-O 3.46Å; N679-N681 PolarHBondContact O-N 3.44Å
682S31.3Very low29.4Very low115 Ų115138.7 Ų138.780%0.80473%0.731SS**  trans-166.7112.2158-174.20000108.8
683N29.2Very low29.6Very low138 Ų138135.7 Ų135.774%0.73873%0.732SS**  trans-71.1134.8174.1-58.1-40.4000110
684N31.1Very low29.6Very low136 Ų136137.3 Ų137.373%0.72773%0.734SS**  174.9152.5107.8-94.1-21.7000114.9
685Y29.9Very low29.6Very low194 Ų194139.7 Ų139.776%0.76174%0.743SS**  trans66.7109.2164.1-70.4-65000121.2
686N32.2Very low29.5Very low120 Ų120139.3 Ų139.364%0.64275%0.746SS**  trans76.4104.4144.5-60.1-8.8000117.4
687Q29.2Very low29.4Very low161 Ų161138.6 Ų138.675%0.75275%0.748SS**  75.5131.574.3-74.8-178.3-10.300111.7
688I33.4Very low29.5Very low131 Ų131140 Ų14067%0.67275%0.751SS**  cis-151126.50.1-109.9155.1000105.9
689H29.4Very low29.3Very low153 Ų153141 Ų14171%0.70876%0.756SS**  44.9138.9101.8-86.5-114.7000116.6
690M26.6Very low29.3Very low139 Ų139140 Ų14069%0.68576%0.759SS**  cis-168.7-178.4-24.2-129.9-141.4-92.100108.8
691N30.2Very low29.2Very low133 Ų133139.9 Ų139.971%0.71176%0.758SS**  trans65.6101.1161.9-60.5-11.4000118.8
692S24.9Very low29.3Very low116 Ų116141 Ų14181%0.81177%0.769SS**  trans-72.51401371780000109.1
693S33.3Very low29.1Very low106 Ų106140.7 Ų140.774%0.74177%0.767SS**  trans-141.2124.6164.763.30000109.6
694N29.2Very low29.2Very low146 Ų146139.4 Ų139.478%0.78177%0.769SS**  trans-58.9136.2-177.2-58.4-21.3000112.7
695N32Very low29.2Very low164 Ų164140.8 Ų140.888%0.87778%0.775SS**  trans-164.5156.4133.6-99.1-35.1000111.4
696L28.5Very low29.3Very low165 Ų165136.3 Ų136.386%0.86477%0.773SS**  trans-74.5164-174.6-107.967000113
697P29.1Very low29.2Very low117 Ų117135.4 Ų135.476%0.7678%0.776SS**  trans-81.1166.2-160.434.1-38.4000113.7
698N28Very low29.5Very low165 Ų165137.2 Ų137.288%0.88278%0.781SS**  trans-143.1143.5155.7-135.5-22.2000111.3
699I25.1Very low29.3Very low152 Ų152135.3 Ų135.378%0.77979%0.785SS**  trans-89.5131.7-174.6-63.1166.9000109.4
700S28.1Very low29.6Very low113 Ų113133.7 Ų133.779%0.7979%0.788SS**  trans-150.4131.1156.550.40000111.4
701I24Very low30.1Very low155 Ų155132 Ų13280%0.79579%0.787SS**  trans-103.8126.6176.6-60.5163000107.4
702T30.5Very low30.2Very low143 Ų143133.3 Ų133.388%0.87779%0.793SS**  trans-144.5147.1161.732.40000110.6
703S26.4Very low30.6Very low108 Ų108134.4 Ų134.476%0.75580%0.795SS**  trans-127.3141.8-171.649.90000112.3
704S32.7Very low30.5Very low111 Ų111138.2 Ų138.278%0.77680%0.801SS**  trans-153.2125.3167.6-56.50000106.7
705L30.7Very low30.7Very low165 Ų165136 Ų13686%0.86480%0.802SS**  59.3132.676-84.278.4000113.7
706S31.5Very low30.7Very low100 Ų100133.9 Ų133.970%0.69980%0.796SS**  cis-167.1159.1-2.1-172.60000113.1
707S31.2Very low31.2Very low101 Ų101132 Ų13271%0.70679%0.793SS**  trans73151.4160.384.40000117.6
708K34Very low31.5Very low198 Ų198133.8 Ų133.886%0.86180%0.795SS**  cis-136.5152.710.9-67.7174.9179.7173.70113
709A30Very low31.7Very low91 Ų91131.5 Ų131.575%0.75279%0.792SS**  trans-110.9-180151.200000107.5
710P36.3Very low32.4Very low119 Ų119130.5 Ų130.577%0.77380%0.796SS**  cis-141-14037.835.8-7.8000113.4
711P37.4Very low32.8Very low103 Ų103129.4 Ų129.467%0.66979%0.794SS**  -135.3-168.1-98.745.4-27.5000116
712L30.4Very low33.3Very low161 Ų161128 Ų12884%0.84380%0.795SS**  trans70121.8163.2-98.875.3000119.1
713V33.6Very low33.3Very low140 Ų140129.6 Ų129.685%0.84880%0.797SS**  -174.5154.3102.91520000108.7
714Q31.8Very low33.6Very low186 Ų186130.2 Ų130.287%0.86980%0.796SS**  trans-82.4149.5-175.3-62.7150.6-76.100113.5
715A33.8Very low33.5Very low98 Ų98132.7 Ų132.781%0.8180%0.796SS**  trans-148.8128.9156.400000110.4
716V32Very low33.5Very low121 Ų121133.7 Ų133.773%0.73379%0.793SS**  trans-128.5130.8175.8176.20000108.6L718V716-L718 HydrophobicContact CG1-CD1 4.46Å
717P38.3Very low33.7Very low124 Ų124133 Ų13381%0.80579%0.788SS**PPolyproline II helixtrans-102141.5158.2-2.623.5000111.1
718L36Very low33.9Very low156 Ų156134.3 Ų134.382%0.81779%0.787SS**PPolyproline II helixtrans-88.1157.8-178.2-77.571.3000112.5V716V716-L718 HydrophobicContact CG1-CD1 4.46Å
719S31.9Very low33.7Very low117 Ų117131.2 Ų131.282%0.81878%0.78SS**PPolyproline II helixtrans-67.9141.5165.3-48.10000112
720P40.9Very low34.1Very low130 Ų130133.9 Ų133.984%0.84478%0.781SS**PPolyproline II helixtrans-85.2132.3164.332.7-30.7000111.4
721A35.7Very low34Very low91 Ų91136 Ų13675%0.75278%0.781SS**PPolyproline II helixtrans-98.2168.3170.100000110.2
722P34.9Very low34.4Very low126 Ų126145.5 Ų145.582%0.81881%0.805SS**PPolyproline II helixtrans-77.5156.5-161.931-35.5000114.7
723L30.7Very low34.6Very low175 Ų175144.7 Ų144.792%0.91680%0.803SS**PPolyproline II helixtrans-91.6131.4176.2-86.3162.5000112.1
724T31.8Very low34.6Very low122 Ų122144.9 Ų144.975%0.74880%0.801SS**  trans-136.4121.4162.648.60000109.9
725Q29.8Very low34.8Very low163 Ų163142.7 Ų142.776%0.76280%0.797SS**  trans40.3127.1154.5-62.6173.7-27.300119.5
726F32.5Very low34.8Very low185 Ų185145.3 Ų145.381%0.81180%0.796SS**  -177150.594.8-101.3-73.6000113.3
727S35.1Very low35Very low85 Ų85146.8 Ų146.859%0.59480%0.8SS**  trans49.6109151.1-72.60000124.1
728D34.3Very low34.8Very low129 Ų129148.3 Ų148.369%0.6980%0.8SS**  73.3123.7107.9-55.9-44.4000123.6
729L29.7Very low34.7Very low133 Ų133147.8 Ų147.870%0.69680%0.799SS**  trans47.9121142.3-77.379.9000120.1
730N39.2Very low34.9Very low147 Ų147150.2 Ų150.279%0.78680%0.797SS**  -163.3163.891.4-102.2-62000114.7
731H33.9Very low34.4Very low164 Ų164151.8 Ų151.876%0.75979%0.793SS**  trans-59.5143.5-171.9-58.7-31.2000116.4
732Y45.4Very low34.3Very low302 Ų302157.4 Ų157.4100%1.18480%0.797SS**  -150.40102.1-118.6-77.9000111.2

Retrieved 732 of 732 residues in 124.6 ms (Link to these results)

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