A0A3Q0KQ82_SCHMA Loading...

Putative ectonucleotide pyrophosphatase/phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KQ82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 575 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
1M49Very low57.5Low192 Ų192108.7 Ų108.795%0.94658%0.584SS**  0-59.20-79-160.2150.700115.7E4M1-E4 WeakPolarHBondContact CA-OE2 3.31Å; M1-E4 PolarHBondContact N-OE2 3.43Å
2T53.5Low58.7Low127 Ų127114.5 Ų114.578%0.77959%0.591SS**Hα-helixtrans-74.8-33.4-17350.40000115.6
3M52.3Low60.1Low150 Ų150112.8 Ų112.874%0.73958%0.582SS**Hα-helixtrans-77-31177.1-78.1-117.983.900113.4F6 C7M3-F6 WeakPolarHBondContact O-CB 3.46Å; M3-F6 PolarHBondContact O-N 2.9Å; M3-C7 PolarHBondContact O-N 3.26Å
4E51.3Low61.2Low77 Ų77109.9 Ų109.936%0.3658%0.576SS.*Hα-helixtrans-69-43.7-178.3-69158.7142.400111.6M1 F6 C7 H8M1-E4 WeakPolarHBondContact CA-OE2 3.31Å; M1-E4 PolarHBondContact N-OE2 3.43Å; E4-F6 PolarHBondContact O-N 2.95Å; E4-C7 PolarHBondContact O-N 3.35Å; E4-H8 PolarHBondContact O-CD2 3.1Å; E4-H8 PolarHBondContact O-N 3.02Å
5C54.2Low62.2Low89 Ų89105.7 Ų105.760%0.60156%0.555SS**Hα-helixtrans-60.1-29.9173.8-73.70000113.1C9C5-C9 PolarHBondContact O-N 3.35Å; C5-C9 VanDerWaalsContact O-N 3.16Å
6F54.7Low63Low134 Ų134106.9 Ų106.959%0.58855%0.554SS**Hα-helixtrans-71.2-44.4-177.5-126.8-92.3000111.8M3 E4 H8 C9 F10M3-F6 WeakPolarHBondContact O-CB 3.46Å; M3-F6 PolarHBondContact O-N 2.9Å; E4-F6 PolarHBondContact O-N 2.95Å; F6-H8 VanDerWaalsContact C-N 3.32Å; F6-H8 PolarHBondContact O-N 2.96Å; F6-C9 PolarHBondContact O-N 3.33Å; F6-F10 HydrophobicContact CD1-CD2 4.1Å; F6-F10 AromaticContact CD1-CE2 3.68Å; F6-F10 HydrophobicContact CD1-CE2 3.68Å; F6-F10 AromaticContact CE1-CE2 3.75Å; F6-F10 HydrophobicContact CE1-CE2 3.75Å; F6-F10 WeakPolarHBondContact O-CD2 3.38Å; F6-F10 PolarHBondContact O-N 3.47Å
7C54.9Low63.7Low89 Ų89106.9 Ų106.960%0.60155%0.554SS**Hα-helixtrans-63-38.6177.9-123.80000112M3 E4 F10 T11M3-C7 PolarHBondContact O-N 3.26Å; E4-C7 PolarHBondContact O-N 3.35Å; C7-F10 PolarHBondContact O-N 3.46Å; C7-T11 PolarHBondContact O-N 2.94Å
8H57.5Low64.1Low66 Ų66105.6 Ų105.631%0.30655%0.547SS..Hα-helixtrans-69.4-38.9177.9-65.9-51.3000113.5E4 F6 F10 T11 W12 I454E4-H8 PolarHBondContact O-CD2 3.1Å; E4-H8 PolarHBondContact O-N 3.02Å; F6-H8 VanDerWaalsContact C-N 3.32Å; F6-H8 PolarHBondContact O-N 2.96Å; H8-F10 VanDerWaalsContact C-N 3.28Å; H8-F10 PolarHBondContact O-N 3.14Å; H8-T11 PolarHBondContact O-N 3.46Å; H8-T11 PolarHBondContact O-OG1 3.02Å; H8-T11 VanDerWaalsContact O-OG1 3.1Å; H8-W12 PolarHBondContact O-N 3.38Å; H8-I454 VanDerWaalsContact CE1-CD1 3.46Å; H8-I454 WeakPolarHBondContact CE1-CD1 3.29Å; H8-I454 WeakPolarHBondContact CE1-CG1 3.5Å
9C65.6Low64.3Low79 Ų79105.2 Ų105.253%0.53455%0.545SS..Hα-helixtrans-60.5-40.2173.4-85.50000111.5C5 F6 I13C5-C9 PolarHBondContact O-N 3.35Å; C5-C9 VanDerWaalsContact O-N 3.16Å; F6-C9 PolarHBondContact O-N 3.33Å; C9-I13 HydrophobicContact CB-CD1 4.41Å; C9-I13 VanDerWaalsContact O-CB 3.27Å; C9-I13 WeakPolarHBondContact O-CB 3.4Å; C9-I13 VanDerWaalsContact O-CD1 3.27Å; C9-I13 WeakPolarHBondContact O-CD1 3.23Å; C9-I13 WeakPolarHBondContact O-CG1 3.49Å; C9-I13 PolarHBondContact O-N 2.99Å
10F68.7Low64.1Low124 Ų124105 Ų10554%0.54454%0.542SS..Hα-helixtrans-64.8-44.3179.3-89.3-76.1000113F6 C7 H8 I13 S14F6-F10 HydrophobicContact CD1-CD2 4.1Å; F6-F10 AromaticContact CD1-CE2 3.68Å; F6-F10 HydrophobicContact CD1-CE2 3.68Å; F6-F10 AromaticContact CE1-CE2 3.75Å; F6-F10 HydrophobicContact CE1-CE2 3.75Å; F6-F10 WeakPolarHBondContact O-CD2 3.38Å; F6-F10 PolarHBondContact O-N 3.47Å; C7-F10 PolarHBondContact O-N 3.46Å; H8-F10 VanDerWaalsContact C-N 3.28Å; H8-F10 PolarHBondContact O-N 3.14Å; F10-I13 PolarHBondContact O-N 3.46Å; F10-S14 WeakPolarHBondContact O-CB 3.48Å; F10-S14 PolarHBondContact O-N 3.38Å; F10-S14 PolarHBondContact O-OG 3.33Å; F10-S14 VanDerWaalsContact O-OG 3.1Å
11T70.3Confident63.7Low69 Ų69102 Ų10242%0.42354%0.537SS..Hα-helixtrans-65.7-41.4179.852.90000112.6C7 H8 S14 L15C7-T11 PolarHBondContact O-N 2.94Å; H8-T11 PolarHBondContact O-N 3.46Å; H8-T11 PolarHBondContact O-OG1 3.02Å; H8-T11 VanDerWaalsContact O-OG1 3.1Å; T11-S14 PolarHBondContact O-N 2.73Å; T11-L15 WeakPolarHBondContact O-CB 3.32Å; T11-L15 PolarHBondContact O-N 3Å
12W72.9Confident64.2Low178 Ų17896.4 Ų96.467%0.67451%0.51SS*.Hα-helixtrans-68-37.7175.6-78105.8000112.7H8 L15 F16H8-W12 PolarHBondContact O-N 3.38Å; W12-L15 HydrophobicContact CE3-CD2 4.21Å; W12-L15 HydrophobicContact CZ3-CD2 4.12Å; W12-L15 PolarHBondContact O-N 2.96Å; W12-F16 VanDerWaalsContact O-CB 3.27Å; W12-F16 WeakPolarHBondContact O-CB 3.41Å; W12-F16 PolarHBondContact O-N 2.93Å
13I76.7Confident64.2Low92 Ų9294.4 Ų94.447%0.47250%0.501SS..Hα-helixtrans-64.8-45.2173.9-70.9164.9000110.2C9 F10 L15 F16 I17C9-I13 HydrophobicContact CB-CD1 4.41Å; C9-I13 VanDerWaalsContact O-CB 3.27Å; C9-I13 WeakPolarHBondContact O-CB 3.4Å; C9-I13 VanDerWaalsContact O-CD1 3.27Å; C9-I13 WeakPolarHBondContact O-CD1 3.23Å; C9-I13 WeakPolarHBondContact O-CG1 3.49Å; C9-I13 PolarHBondContact O-N 2.99Å; F10-I13 PolarHBondContact O-N 3.46Å; I13-L15 PolarHBondContact O-N 2.94Å; I13-F16 PolarHBondContact O-N 2.92Å; I13-I17 HydrophobicContact CG2-CD1 3.59Å; I13-I17 HydrophobicContact CG2-CG1 4.29Å; I13-I17 WeakPolarHBondContact O-CB 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.95Å
14S75.1Confident64.3Low72 Ų7293.6 Ų93.650%0.50350%0.495SS..Hα-helixtrans-62.1-42.3176.3-670000112.2F10 T11 I17 L18F10-S14 WeakPolarHBondContact O-CB 3.48Å; F10-S14 PolarHBondContact O-N 3.38Å; F10-S14 PolarHBondContact O-OG 3.33Å; F10-S14 VanDerWaalsContact O-OG 3.1Å; T11-S14 PolarHBondContact O-N 2.73Å; S14-I17 PolarHBondContact O-N 2.69Å; S14-L18 VanDerWaalsContact O-CB 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 PolarHBondContact O-N 2.98Å
15L76.3Confident64.5Low48 Ų4893.4 Ų93.425%0.25151%0.507SS..Hα-helixtrans-65.5-41175.7-176.465.4000111.7T11 W12 I13 L18 L19 L443T11-L15 WeakPolarHBondContact O-CB 3.32Å; T11-L15 PolarHBondContact O-N 3Å; W12-L15 HydrophobicContact CE3-CD2 4.21Å; W12-L15 HydrophobicContact CZ3-CD2 4.12Å; W12-L15 PolarHBondContact O-N 2.96Å; I13-L15 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CD1-CD1 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.02Å; L15-L19 HydrophobicContact CG-CG 4.48Å; L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.49Å; L15-L443 HydrophobicContact CD1-CD2 4.09Å
16F74.8Confident64.6Low125 Ų12596.7 Ų96.755%0.54851%0.508SS..Hα-helixtrans-66.3-41.7176.8-171.8-95.5000111.8W12 I13 L18 L19 Q20W12-F16 VanDerWaalsContact O-CB 3.27Å; W12-F16 WeakPolarHBondContact O-CB 3.41Å; W12-F16 PolarHBondContact O-N 2.93Å; I13-F16 PolarHBondContact O-N 2.92Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L19 PolarHBondContact O-N 3.42Å; F16-Q20 HydrophobicContact CD1-CG 4.16Å; F16-Q20 HydrophobicContact CE1-CG 3.81Å; F16-Q20 HydrophobicContact CZ-CG 4.13Å; F16-Q20 WeakPolarHBondContact O-CB 3.39Å; F16-Q20 WeakPolarHBondContact O-CG 3.32Å; F16-Q20 PolarHBondContact O-N 3.37Å
17I75Confident65.4Low107 Ų10794.2 Ų94.255%0.54950%0.497SS..Hα-helixtrans-63.5-40.4173.6-68.4167.3000110.5I13 S14 G21I13-I17 HydrophobicContact CG2-CD1 3.59Å; I13-I17 HydrophobicContact CG2-CG1 4.29Å; I13-I17 WeakPolarHBondContact O-CB 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.95Å; S14-I17 PolarHBondContact O-N 2.69Å; I17-G21 PolarHBondContact O-N 3.4Å
18L71.5Confident66.8Low82 Ų8293.1 Ų93.143%0.42948%0.482SS..Hα-helixtrans-63.8-47.1175.2-16983.5000111.1S14 L15 F16 G21 I22 L443S14-L18 VanDerWaalsContact O-CB 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 3.3Å; F16-L18 VanDerWaalsContact C-N 3.33Å; L18-G21 PolarHBondContact O-N 3.31Å; L18-I22 HydrophobicContact CD2-CD1 4.39Å; L18-I22 HydrophobicContact CG-CD1 4.13Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.46Å; L18-I22 PolarHBondContact O-N 3.26Å; L18-L443 HydrophobicContact CD2-CD2 4.21Å
19L67.3Low68.5Low98 Ų9891.5 Ų91.551%0.51348%0.475SS..Hα-helixtrans-63.7-40.4178.3-75.8167.8000112.1L15 F16 I22 C23L15-L19 HydrophobicContact CD1-CD1 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.02Å; L15-L19 HydrophobicContact CG-CG 4.48Å; L15-L19 WeakPolarHBondContact O-CB 3.41Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.49Å; F16-L19 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3Å; L19-C23 WeakPolarHBondContact O-CB 3.46Å; L19-C23 PolarHBondContact O-N 3.39Å
20Q61.2Low70.1Confident102 Ų10288.4 Ų88.448%0.47745%0.452SS..Hα-helixtrans-65.4-42.8171.8-74.7-157.5-37.300111.4F16 I22 C23 E24F16-Q20 HydrophobicContact CD1-CG 4.16Å; F16-Q20 HydrophobicContact CE1-CG 3.81Å; F16-Q20 HydrophobicContact CZ-CG 4.13Å; F16-Q20 WeakPolarHBondContact O-CB 3.39Å; F16-Q20 WeakPolarHBondContact O-CG 3.32Å; F16-Q20 PolarHBondContact O-N 3.37Å; Q20-I22 VanDerWaalsContact C-N 3.31Å; Q20-I22 PolarHBondContact O-N 2.8Å; Q20-C23 PolarHBondContact O-N 2.99Å; Q20-E24 WeakPolarHBondContact O-CB 3.48Å; Q20-E24 PolarHBondContact O-N 3.26Å
21G55.9Low71.5Confident43 Ų4382.5 Ų82.544%0.44343%0.427SS..Hα-helixtrans-59.2-40.6175.500000113I17 L18 A25I17-G21 PolarHBondContact O-N 3.4Å; L18-G21 PolarHBondContact O-N 3.31Å; G21-A25 VanDerWaalsContact O-CB 3.28Å; G21-A25 WeakPolarHBondContact O-CB 3.23Å; G21-A25 PolarHBondContact O-N 3.49Å
22I58.4Low72.8Confident73 Ų7379.2 Ų79.237%0.37441%0.406SS..Hα-helixtrans-66.2-48.3173.1-65.3164000109.8L18 L19 Q20 E24 A25 Y26L18-I22 HydrophobicContact CD2-CD1 4.39Å; L18-I22 HydrophobicContact CG-CD1 4.13Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.46Å; L18-I22 PolarHBondContact O-N 3.26Å; L19-I22 PolarHBondContact O-N 3Å; Q20-I22 VanDerWaalsContact C-N 3.31Å; Q20-I22 PolarHBondContact O-N 2.8Å; I22-E24 VanDerWaalsContact C-N 3.35Å; I22-E24 PolarHBondContact O-N 3.45Å; I22-A25 PolarHBondContact O-N 2.92Å; I22-A25 VanDerWaalsContact O-N 3.17Å; I22-Y26 HydrophobicContact CG2-CD2 3.77Å; I22-Y26 HydrophobicContact CG2-CE2 3.9Å; I22-Y26 VanDerWaalsContact O-CD2 3.29Å; I22-Y26 WeakPolarHBondContact O-CD2 3.33Å; I22-Y26 PolarHBondContact O-N 3.19Å
23C54.6Low74.1Confident86 Ų8670.7 Ų70.758%0.58137%0.374SS*.Hα-helixtrans-59.1-43.3-179.6-163.50000112.6L19 Q20 Y26 K27L19-C23 WeakPolarHBondContact O-CB 3.46Å; L19-C23 PolarHBondContact O-N 3.39Å; Q20-C23 PolarHBondContact O-N 2.99Å; C23-Y26 PolarHBondContact O-N 2.94Å; C23-K27 PolarHBondContact O-N 3.31Å
24E54.3Low75.1Confident132 Ų13266.3 Ų66.362%0.61735%0.352SS*.Hα-helixtrans-67.6-37.6176.6-121.768.8-161.600112.1Q20 I22 Y26 K27Q20-E24 WeakPolarHBondContact O-CB 3.48Å; Q20-E24 PolarHBondContact O-N 3.26Å; I22-E24 VanDerWaalsContact C-N 3.35Å; I22-E24 PolarHBondContact O-N 3.45Å; E24-Y26 VanDerWaalsContact C-N 3.26Å; E24-Y26 PolarHBondContact O-N 3.49Å; E24-K27 PolarHBondContact O-N 2.94Å
25A55.1Low76.3Confident74 Ų7462.9 Ų62.961%0.61233%0.328SS*.Hα-helixtrans-65.9-28.3175.200000112.7G21 I22G21-A25 VanDerWaalsContact O-CB 3.28Å; G21-A25 WeakPolarHBondContact O-CB 3.23Å; G21-A25 PolarHBondContact O-N 3.49Å; I22-A25 PolarHBondContact O-N 2.92Å; I22-A25 VanDerWaalsContact O-N 3.17Å
26Y56.8Low77.4Confident158 Ų15860.6 Ų60.662%0.6232%0.316SS*.THydrogen-bonded Turntrans-88.83.7178.5-89.1-90.1000114.4I22 C23 E24 Q28I22-Y26 HydrophobicContact CG2-CD2 3.77Å; I22-Y26 HydrophobicContact CG2-CE2 3.9Å; I22-Y26 VanDerWaalsContact O-CD2 3.29Å; I22-Y26 WeakPolarHBondContact O-CD2 3.33Å; I22-Y26 PolarHBondContact O-N 3.19Å; C23-Y26 PolarHBondContact O-N 2.94Å; E24-Y26 VanDerWaalsContact C-N 3.26Å; E24-Y26 PolarHBondContact O-N 3.49Å; Y26-Q28 PolarHBondContact O-N 3.24Å
27K70.3Confident78.5Confident82 Ų8254.8 Ų54.836%0.35729%0.29SS..  trans-65.2113.8179.1-164.1173-169.7171.60110.1C23 E24 Q29 S238C23-K27 PolarHBondContact O-N 3.31Å; E24-K27 PolarHBondContact O-N 2.94Å; K27-Q29 PolarHBondContact O-N 3.06Å; K27-Q29 PolarHBondContact O-NE2 3.41Å; K27-Q29 VanDerWaalsContact O-NE2 3.1Å; K27-S238 PolarHBondContact NZ-OG 3.48Å
28Q85.2Confident79.6Confident65 Ų6549.7 Ų49.730%0.30426%0.264SS..  trans-50.2114.5179-179.961.854.600110Y26 H140 T189Y26-Q28 PolarHBondContact O-N 3.24Å; Q28-H140 VanDerWaalsContact CD-CE1 3.49Å; Q28-H140 PolarHBondContact OE1-CE1 3.21Å; Q28-H140 PolarHBondContact OE1-NE2 3.44Å; Q28-T189 HydrophobicContact CG-CG2 3.56Å
29Q93.1Very high80.9Confident33 Ų3345.8 Ų45.815%0.15424%0.244CC..  trans-72.7144.9176.5-64.2-61.3-64.900109.4K27 N241 L400K27-Q29 PolarHBondContact O-N 3.06Å; K27-Q29 PolarHBondContact O-NE2 3.41Å; K27-Q29 VanDerWaalsContact O-NE2 3.1Å; Q29-N241 PolarHBondContact OE1-ND2 3.01Å; Q29-L400 WeakPolarHBondContact CB-O 3.15Å
30K97.9Very high82.4Confident13 Ų1341.7 Ų41.76%0.05722%0.221CC..EExtended strand (participates in β ladder)trans-114.7155.8172.5-55.3-164.4-179.1-162.90109.4L183 L185 V188 T189 L236 S239 L240 N241K30-L183 HydrophobicContact CB-CD2 4.4Å; K30-L183 HydrophobicContact CD-CD2 4.32Å; K30-L183 WeakPolarHBondContact CD-O 3.43Å; K30-L183 PolarHBondContact NZ-O 3.46Å; K30-L185 PolarHBondContact NZ-O 3.18Å; K30-V188 WeakPolarHBondContact CD-O 3.38Å; K30-V188 WeakPolarHBondContact CE-O 3.32Å; K30-V188 PolarHBondContact NZ-O 3.38Å; K30-T189 CarbonylContact C-O 3.56Å; K30-T189 WeakPolarHBondContact CA-O 3.45Å; K30-T189 WeakPolarHBondContact CB-O 3.43Å; K30-L236 HydrophobicContact CD-CD2 4.17Å; K30-S239 PolarHBondContact N-O 3.47Å; K30-L240 HydrophobicContact CB-CD1 3.73Å; K30-N241 WeakPolarHBondContact O-CB 3.45Å; K30-N241 PolarHBondContact O-N 3.43Å; K30-N241 PolarHBondContact O-ND2 2.76Å; K30-N241 VanDerWaalsContact O-ND2 3.16Å
31L98.8Very high84.2Confident0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans-135.5131.6178.8178.263.6000109.9V33 T189 L190 G191 N241 I243 M397 L400 L401L31-V33 HydrophobicContact CD1-CG2 4.18Å; L31-V33 HydrophobicContact CD2-CG2 3.87Å; L31-V33 HydrophobicContact CG-CG2 3.85Å; L31-T189 PolarHBondContact N-O 2.77Å; L31-L190 HydrophobicContact CB-CD1 4.31Å; L31-L190 HydrophobicContact CD2-CD1 4.12Å; L31-L190 HydrophobicContact CG-CD1 4.29Å; L31-L190 CarbonylContact O-C 3.58Å; L31-L190 WeakPolarHBondContact O-CA 3.21Å; L31-G191 PolarHBondContact O-N 3.41Å; L31-N241 CarbonylContact C-O 3.31Å; L31-N241 WeakPolarHBondContact CA-O 3.47Å; L31-N241 HydrophobicContact CD1-CB 3.93Å; L31-I243 HydrophobicContact CD1-CD1 4.05Å; L31-I243 HydrophobicContact CD1-CG1 4.1Å; L31-M397 HydrophobicContact CD2-CB 3.68Å; L31-M397 HydrophobicContact CD2-CG 3.53Å; L31-M397 HydrophobicContact CD2-SD 4Å; L31-L400 HydrophobicContact CD1-CD1 4.07Å; L31-L401 HydrophobicContact CB-CD1 4.4Å; L31-L401 HydrophobicContact CB-CD2 3.79Å; L31-L401 HydrophobicContact CB-CG 4.03Å; L31-L401 HydrophobicContact CD2-CD1 4.25Å; L31-L401 HydrophobicContact CD2-CG 4.37Å
32L98.9Very high86.2Confident0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-113.8124.2164.9175.560.5000108.4I34 T179 I180 L183 G191 I193 L226 L240 N241 I242 I243L32-I34 HydrophobicContact CD1-CG1 4.25Å; L32-I34 HydrophobicContact CD2-CD1 4.14Å; L32-I34 HydrophobicContact CD2-CG1 4.33Å; L32-I34 HydrophobicContact CG-CD1 4.38Å; L32-I34 HydrophobicContact CG-CG1 4.02Å; L32-T179 HydrophobicContact CD1-CG2 3.75Å; L32-I180 HydrophobicContact CD2-CD1 4.19Å; L32-L183 HydrophobicContact CB-CD1 4.17Å; L32-L183 HydrophobicContact CD1-CD1 4.32Å; L32-G191 CarbonylContact C-O 3.43Å; L32-G191 VanDerWaalsContact CA-O 3.32Å; L32-G191 WeakPolarHBondContact CA-O 3.32Å; L32-I193 HydrophobicContact CD1-CD1 3.93Å; L32-I193 HydrophobicContact CD1-CG1 4.1Å; L32-L226 HydrophobicContact CD2-CD1 3.73Å; L32-L226 HydrophobicContact CD2-CD2 4.07Å; L32-L240 HydrophobicContact CB-CD1 4.05Å; L32-N241 PolarHBondContact N-O 3.08Å; L32-I242 CarbonylContact O-C 3.32Å; L32-I242 VanDerWaalsContact O-CA 3.27Å; L32-I242 WeakPolarHBondContact O-CA 3.33Å; L32-I243 PolarHBondContact O-N 3.32Å
33V98.9Very high88.1Confident0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-113.3128.3169.9-170.60000108.7L31 W147 G191 L192 I193 I243 T245 M397L31-V33 HydrophobicContact CD1-CG2 4.18Å; L31-V33 HydrophobicContact CD2-CG2 3.87Å; L31-V33 HydrophobicContact CG-CG2 3.85Å; V33-W147 HydrophobicContact CB-CZ3 4.49Å; V33-W147 HydrophobicContact CG1-CH2 3.98Å; V33-W147 HydrophobicContact CG1-CZ3 4.25Å; V33-G191 PolarHBondContact N-O 2.97Å; V33-L192 HydrophobicContact CB-CD2 3.54Å; V33-L192 HydrophobicContact CG1-CD2 4.45Å; V33-L192 HydrophobicContact CG2-CD2 3.72Å; V33-L192 CarbonylContact O-C 3.59Å; V33-L192 WeakPolarHBondContact O-CA 3.41Å; V33-I193 PolarHBondContact O-N 3.07Å; V33-I243 CarbonylContact C-O 3.53Å; V33-I243 WeakPolarHBondContact CA-O 3.29Å; V33-I243 HydrophobicContact CB-CB 4.48Å; V33-I243 HydrophobicContact CG1-CB 4.1Å; V33-I243 HydrophobicContact CG1-CG2 4.09Å; V33-I243 HydrophobicContact CG2-CB 4.23Å; V33-I243 HydrophobicContact CG2-CD1 4.37Å; V33-T245 HydrophobicContact CG1-CG2 4.08Å; V33-M397 HydrophobicContact CG2-CG 4.45Å; V33-M397 HydrophobicContact CG2-SD 3.69Å
34I98.9Very high90.2Very high0 Ų030.4 Ų30.40%015%0.148CC..EExtended strand (participates in β ladder)trans-116.8117.1173.8-50.5-173.7000107.3L32 L36 L172 I176 I193 I223 L226 I243 L244 T245L32-I34 HydrophobicContact CD1-CG1 4.25Å; L32-I34 HydrophobicContact CD2-CD1 4.14Å; L32-I34 HydrophobicContact CD2-CG1 4.33Å; L32-I34 HydrophobicContact CG-CD1 4.38Å; L32-I34 HydrophobicContact CG-CG1 4.02Å; I34-L36 HydrophobicContact CG2-CD2 3.84Å; I34-L36 HydrophobicContact CG2-CG 4.37Å; I34-L172 HydrophobicContact CG2-CD1 4.28Å; I34-I176 HydrophobicContact CD1-CG1 4.43Å; I34-I193 CarbonylContact C-O 3.36Å; I34-I193 WeakPolarHBondContact CA-O 3.36Å; I34-I193 HydrophobicContact CD1-CD1 4.26Å; I34-I193 HydrophobicContact CG1-CB 4.23Å; I34-I193 HydrophobicContact CG1-CD1 4.27Å; I34-I193 HydrophobicContact CG2-CB 4.26Å; I34-I193 HydrophobicContact CG2-CG2 4.28Å; I34-I223 HydrophobicContact CD1-CD1 4.27Å; I34-L226 HydrophobicContact CD1-CD2 3.61Å; I34-I243 PolarHBondContact N-O 2.96Å; I34-L244 HydrophobicContact CB-CD2 3.68Å; I34-L244 HydrophobicContact CD1-CD2 3.84Å; I34-L244 HydrophobicContact CG1-CD2 3.91Å; I34-L244 WeakPolarHBondContact O-CA 3.25Å; I34-T245 PolarHBondContact O-N 3Å
35S98.9Very high92.3Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-92.3118.5168.4-165.50000109.2H82 I193 F195 T245S35-H82 VanDerWaalsContact CB-NE2 3.35Å; S35-H82 WeakPolarHBondContact CB-NE2 3.32Å; S35-H82 PolarHBondContact OG-NE2 3.48Å; S35-I193 PolarHBondContact N-O 3.27Å; S35-F195 PolarHBondContact O-N 3Å; S35-T245 CarbonylContact C-O 3.45Å; S35-T245 VanDerWaalsContact CA-O 3.25Å; S35-T245 WeakPolarHBondContact CA-O 3.49Å
36L98.9Very high94.3Very high0 Ų026 Ų260%012%0.116CC..EExtended strand (participates in β ladder)trans-100104.5170.4-56.6179.4000106.7I34 G38 F39 F57 L172 F195 E197 L219 T245 S246 F366I34-L36 HydrophobicContact CG2-CD2 3.84Å; I34-L36 HydrophobicContact CG2-CG 4.37Å; L36-G38 PolarHBondContact O-N 2.98Å; L36-F39 HydrophobicContact CB-CB 4.01Å; L36-F39 HydrophobicContact CB-CD2 3.88Å; L36-F39 HydrophobicContact CB-CG 4.41Å; L36-F39 HydrophobicContact CD1-CD2 3.67Å; L36-F39 HydrophobicContact CD1-CE2 3.98Å; L36-F39 HydrophobicContact CG-CD2 4.43Å; L36-F39 VanDerWaalsContact O-CB 3.31Å; L36-F39 WeakPolarHBondContact O-CB 3.3Å; L36-F39 PolarHBondContact O-N 3.42Å; L36-F57 HydrophobicContact CD1-CE1 4.29Å; L36-F57 HydrophobicContact CD1-CZ 4.33Å; L36-L172 HydrophobicContact CD2-CD2 4Å; L36-F195 HydrophobicContact CD2-CB 4.02Å; L36-F195 HydrophobicContact CD2-CD1 4.25Å; L36-E197 CarbonylContact C-O 3.57Å; L36-E197 WeakPolarHBondContact CB-O 3.5Å; L36-L219 HydrophobicContact CD1-CD1 4.28Å; L36-L219 HydrophobicContact CD1-CD2 4.45Å; L36-L219 HydrophobicContact CD2-CD2 4Å; L36-T245 PolarHBondContact N-O 3.07Å; L36-S246 WeakPolarHBondContact O-CB 3.36Å; L36-S246 PolarHBondContact O-OG 3.15Å; L36-F366 HydrophobicContact CB-CE1 4.18Å; L36-F366 HydrophobicContact CD1-CE1 4.32Å; L36-F366 HydrophobicContact CD1-CZ 3.86Å; L36-F366 HydrophobicContact CG-CE1 4.49Å; L36-F366 HydrophobicContact CG-CZ 4.34Å
37D98.8Very high96.3Very high2 Ų218.4 Ų18.41%0.0119%0.087CC..THydrogen-bonded Turntrans-56.2134-170.5-159.1-16.8000111.5F39 T78 Y194 F195 E197 P198 D199 D247 H248D37-F39 PolarHBondContact O-N 3.01Å; D37-F39 VanDerWaalsContact O-N 3.11Å; D37-T78 VanDerWaalsContact OD2-CG2 3.24Å; D37-T78 WeakPolarHBondContact OD2-CG2 3.42Å; D37-Y194 HydrophobicContact CB-CE2 3.8Å; D37-Y194 VanDerWaalsContact OD2-CE2 3.27Å; D37-Y194 WeakPolarHBondContact OD2-CE2 3.47Å; D37-Y194 PolarHBondContact OD2-OH 3.42Å; D37-F195 VanDerWaalsContact CB-O 3.31Å; D37-F195 WeakPolarHBondContact CB-O 3.28Å; D37-F195 PolarHBondContact N-O 3.22Å; D37-E197 PolarHBondContact N-O 2.86Å; D37-E197 CarbonylContact O-C 3.55Å; D37-P198 WeakPolarHBondContact O-CD 3.4Å; D37-P198 VanDerWaalsContact O-N 3.17Å; D37-D199 HydrophobicContact CB-CB 3.82Å; D37-D199 WeakPolarHBondContact O-CB 3.24Å; D37-D199 PolarHBondContact O-N 2.8Å; D37-D247 VanDerWaalsContact OD1-OD1 3.1Å; D37-H248 IonicContact OD1-CE1 2.69Å; D37-H248 IonicContact OD1-NE2 3.24Å; D37-H248 PolarHBondContact OD1-NE2 3.42Å
38G98.6Very high97.6Very high0 Ų019.7 Ų19.70%09%0.092CC..THydrogen-bonded Turntrans62.914.117800000116.2L36 R40 Y43 S246 D247 H248L36-G38 PolarHBondContact O-N 2.98Å; G38-R40 PolarHBondContact O-N 3.31Å; G38-Y43 WeakPolarHBondContact O-CE2 3.35Å; G38-S246 PolarHBondContact N-OG 3.26Å; G38-S246 VanDerWaalsContact N-OG 3.08Å; G38-D247 PolarHBondContact N-OD1 2.76Å; G38-H248 CarbonylContact C-O 3.58Å; G38-H248 VanDerWaalsContact C-O 3.32Å; G38-H248 VanDerWaalsContact CA-O 3.29Å; G38-H248 WeakPolarHBondContact CA-O 3.4Å
39F98.8Very high98.2Very high0 Ų023.1 Ų23.10%011%0.112CC..  trans-73.495.2178.1-158.4-49.1000110.2L36 D37 Y43 L44 F57 P198 I216 L219 S246 F366L36-F39 HydrophobicContact CB-CB 4.01Å; L36-F39 HydrophobicContact CB-CD2 3.88Å; L36-F39 HydrophobicContact CB-CG 4.41Å; L36-F39 HydrophobicContact CD1-CD2 3.67Å; L36-F39 HydrophobicContact CD1-CE2 3.98Å; L36-F39 HydrophobicContact CG-CD2 4.43Å; L36-F39 VanDerWaalsContact O-CB 3.31Å; L36-F39 WeakPolarHBondContact O-CB 3.3Å; L36-F39 PolarHBondContact O-N 3.42Å; D37-F39 PolarHBondContact O-N 3.01Å; D37-F39 VanDerWaalsContact O-N 3.11Å; F39-Y43 AromaticContact CD1-CD2 3.74Å; F39-Y43 HydrophobicContact CD1-CD2 3.74Å; F39-Y43 HydrophobicContact CD1-CG 4.35Å; F39-Y43 VanDerWaalsContact CE1-CB 3.49Å; F39-Y43 HydrophobicContact CE1-CD2 4.04Å; F39-Y43 HydrophobicContact CE1-CG 4.31Å; F39-Y43 HydrophobicContact CG-CD2 4.23Å; F39-L44 HydrophobicContact CE1-CD2 4.19Å; F39-L44 HydrophobicContact CE1-CG 4.02Å; F39-L44 HydrophobicContact CZ-CD2 3.8Å; F39-L44 HydrophobicContact CZ-CG 4.16Å; F39-F57 HydrophobicContact CE2-CE1 4.48Å; F39-F57 HydrophobicContact CE2-CZ 4.03Å; F39-F57 HydrophobicContact CZ-CZ 4.35Å; F39-P198 HydrophobicContact CB-CG 4.02Å; F39-P198 HydrophobicContact CD2-CG 4.08Å; F39-P198 HydrophobicContact CG-CG 4.12Å; F39-I216 HydrophobicContact CE2-CG1 4.23Å; F39-I216 HydrophobicContact CZ-CG1 4.07Å; F39-I216 HydrophobicContact CZ-CG2 4.28Å; F39-L219 HydrophobicContact CD2-CD1 4.16Å; F39-L219 HydrophobicContact CE2-CD1 4.03Å; F39-S246 PolarHBondContact N-OG 3.41Å; F39-S246 WeakPolarHBondContact O-CB 3.31Å; F39-F366 HydrophobicContact CB-CD1 3.5Å; F39-F366 HydrophobicContact CB-CE1 3.53Å; F39-F366 HydrophobicContact CB-CG 4.47Å; F39-F366 HydrophobicContact CD1-CB 4.05Å; F39-F366 AromaticContact CD1-CD1 3.56Å; F39-F366 HydrophobicContact CD1-CD1 3.56Å; F39-F366 HydrophobicContact CD1-CD2 4.23Å; F39-F366 AromaticContact CD1-CE1 3.99Å; F39-F366 HydrophobicContact CD1-CE1 3.99Å; F39-F366 AromaticContact CD1-CG 3.68Å; F39-F366 HydrophobicContact CD1-CG 3.68Å; F39-F366 HydrophobicContact CD2-CD1 4.39Å; F39-F366 AromaticContact CD2-CE1 3.99Å; F39-F366 HydrophobicContact CD2-CE1 3.99Å; F39-F366 HydrophobicContact CD2-CZ 4.23Å; F39-F366 HydrophobicContact CE1-CD1 4.42Å; F39-F366 HydrophobicContact CE1-CD2 4.32Å; F39-F366 HydrophobicContact CE1-CG 4.18Å; F39-F366 AromaticContact CG-CD1 3.57Å; F39-F366 HydrophobicContact CG-CD1 3.57Å; F39-F366 AromaticContact CG-CE1 3.57Å; F39-F366 HydrophobicContact CG-CE1 3.57Å; F39-F366 HydrophobicContact CG-CG 4.14Å; F39-F366 HydrophobicContact CG-CZ 4.19Å; F39-F366 WeakPolarHBondContact O-CD1 2.91Å; F39-F366 PolarHBondContact O-N 2.84Å
40R98.6Very high98.4Very high12 Ų1226.3 Ų26.35%0.04512%0.123CC..BIsolated β-bridgetrans-62.5147.1-179.2-156.2171.777.7-174.50.6112.8G38 D42 Y43 D208 M250 E362G38-R40 PolarHBondContact O-N 3.31Å; R40-D42 VanDerWaalsContact CG-OD1 3.25Å; R40-D42 WeakPolarHBondContact CG-OD1 3.44Å; R40-D42 IonicContact CZ-OD1 3.85Å; R40-D42 IonicContact CZ-OD2 3.42Å; R40-D42 IonicContact NE-OD1 3.35Å; R40-D42 PolarHBondContact NE-OD1 3.49Å; R40-D42 IonicContact NE-OD2 3.5Å; R40-D42 PolarHBondContact NE-OD2 2.92Å; R40-D42 IonicContact NH2-OD1 2.83Å; R40-D42 IonicContact NH2-OD2 2.87Å; R40-D42 PolarHBondContact NH2-OD2 2.84Å; R40-D42 PolarHBondContact O-N 3.42Å; R40-Y43 HydrophobicContact CB-CD1 3.95Å; R40-Y43 HydrophobicContact CB-CD2 3.87Å; R40-Y43 HydrophobicContact CB-CE1 3.83Å; R40-Y43 HydrophobicContact CB-CE2 3.73Å; R40-Y43 HydrophobicContact CB-CG 3.98Å; R40-Y43 VanDerWaalsContact N-CD2 3.32Å; R40-Y43 PolarHBondContact O-N 3.18Å; R40-D208 IonicContact NH1-OD1 3.32Å; R40-D208 IonicContact NH2-OD1 3.19Å; R40-D208 PolarHBondContact NH2-OD1 3.41Å; R40-M250 VanDerWaalsContact CD-O 3.23Å; R40-M250 WeakPolarHBondContact CD-O 3.33Å; R40-M250 PolarHBondContact NH1-O 3.43Å; R40-E362 VanDerWaalsContact CD-O 3.28Å; R40-E362 WeakPolarHBondContact CD-O 3.27Å; R40-E362 WeakPolarHBondContact CG-O 3.29Å
41H98.3Very high98.4Very high34 Ų3433 Ų3316%0.15716%0.159CC..THydrogen-bonded Turntrans-55.8-23.8-171.671.5-14.3000117.2M68 S364H41-M68 PolarHBondContact CD2-O 3.34Å; H41-S364 WeakPolarHBondContact CB-O 3.21Å; H41-S364 PolarHBondContact N-O 3.39Å
42D97.9Very high98.3Very high25 Ų2534.1 Ų34.113%0.13417%0.165CC..THydrogen-bonded Turntrans-112.1-6.3-167.459-23000112R40 L44 D45 H46R40-D42 VanDerWaalsContact CG-OD1 3.25Å; R40-D42 WeakPolarHBondContact CG-OD1 3.44Å; R40-D42 IonicContact CZ-OD1 3.85Å; R40-D42 IonicContact CZ-OD2 3.42Å; R40-D42 IonicContact NE-OD1 3.35Å; R40-D42 PolarHBondContact NE-OD1 3.49Å; R40-D42 IonicContact NE-OD2 3.5Å; R40-D42 PolarHBondContact NE-OD2 2.92Å; R40-D42 IonicContact NH2-OD1 2.83Å; R40-D42 IonicContact NH2-OD2 2.87Å; R40-D42 PolarHBondContact NH2-OD2 2.84Å; R40-D42 PolarHBondContact O-N 3.42Å; D42-L44 PolarHBondContact O-N 2.86Å; D42-D45 PolarHBondContact O-N 3.28Å; D42-H46 PolarHBondContact O-CD2 3.04Å; D42-H46 PolarHBondContact O-N 3.06Å; D42-H46 IonicContact OD2-CD2 2.71Å; D42-H46 PolarHBondContact OD2-CD2 3.28Å; D42-H46 VanDerWaalsContact OD2-CD2 3.29Å; D42-H46 IonicContact OD2-NE2 3.69Å; D42-H46 PolarHBondContact OD2-NE2 3.4Å
43Y98.7Very high98.3Very high1 Ų137.2 Ų37.20%0.00418%0.181CC..Hα-helixtrans-54.7-38.3178.4-83.2-11.4000112.4G38 F39 R40 H46 A47 P198 P207 I212 I216G38-Y43 WeakPolarHBondContact O-CE2 3.35Å; F39-Y43 AromaticContact CD1-CD2 3.74Å; F39-Y43 HydrophobicContact CD1-CD2 3.74Å; F39-Y43 HydrophobicContact CD1-CG 4.35Å; F39-Y43 VanDerWaalsContact CE1-CB 3.49Å; F39-Y43 HydrophobicContact CE1-CD2 4.04Å; F39-Y43 HydrophobicContact CE1-CG 4.31Å; F39-Y43 HydrophobicContact CG-CD2 4.23Å; R40-Y43 HydrophobicContact CB-CD1 3.95Å; R40-Y43 HydrophobicContact CB-CD2 3.87Å; R40-Y43 HydrophobicContact CB-CE1 3.83Å; R40-Y43 HydrophobicContact CB-CE2 3.73Å; R40-Y43 HydrophobicContact CB-CG 3.98Å; R40-Y43 VanDerWaalsContact N-CD2 3.32Å; R40-Y43 PolarHBondContact O-N 3.18Å; Y43-H46 PolarHBondContact O-N 3.47Å; Y43-A47 WeakPolarHBondContact O-CB 3.26Å; Y43-A47 PolarHBondContact O-N 3.37Å; Y43-P198 HydrophobicContact CD2-CG 4.01Å; Y43-P198 HydrophobicContact CE2-CB 4.46Å; Y43-P198 HydrophobicContact CE2-CG 3.68Å; Y43-P207 HydrophobicContact CE1-CB 4.07Å; Y43-P207 WeakPolarHBondContact CE1-O 3.37Å; Y43-P207 WeakPolarHBondContact OH-CA 3.34Å; Y43-P207 VanDerWaalsContact OH-CB 3.27Å; Y43-P207 WeakPolarHBondContact OH-CB 3.41Å; Y43-I212 HydrophobicContact CD1-CG2 4.4Å; Y43-I212 HydrophobicContact CE1-CG2 4.1Å; Y43-I212 HydrophobicContact CE2-CG2 4.23Å; Y43-I216 HydrophobicContact CD2-CD1 4.17Å; Y43-I216 HydrophobicContact CG-CD1 3.95Å
44L98.4Very high98.3Very high7 Ų737.8 Ų37.84%0.03718%0.184CC..Hα-helixtrans-65.8-38.1175.5-65177.8000112.5F39 D42 K48 I54 F57 F366 L368F39-L44 HydrophobicContact CE1-CD2 4.19Å; F39-L44 HydrophobicContact CE1-CG 4.02Å; F39-L44 HydrophobicContact CZ-CD2 3.8Å; F39-L44 HydrophobicContact CZ-CG 4.16Å; D42-L44 PolarHBondContact O-N 2.86Å; L44-K48 WeakPolarHBondContact O-CB 3.38Å; L44-K48 PolarHBondContact O-N 2.73Å; L44-I54 HydrophobicContact CB-CD1 4.31Å; L44-I54 HydrophobicContact CD2-CB 4.3Å; L44-I54 HydrophobicContact CD2-CG2 4.01Å; L44-I54 WeakPolarHBondContact O-CD1 3.27Å; L44-F57 HydrophobicContact CD1-CB 4.17Å; L44-F57 HydrophobicContact CD1-CG 4.45Å; L44-F57 HydrophobicContact CD2-CB 3.92Å; L44-F57 HydrophobicContact CD2-CD1 4.33Å; L44-F57 HydrophobicContact CD2-CD2 3.67Å; L44-F57 HydrophobicContact CD2-CE2 4.21Å; L44-F57 HydrophobicContact CD2-CG 3.73Å; L44-F366 HydrophobicContact CD1-CD2 4.35Å; L44-L368 HydrophobicContact CD1-CD1 3.78Å; L44-L368 HydrophobicContact CD1-CG 4.4Å
45D97.8Very high98.3Very high58 Ų5840.7 Ų40.731%0.3121%0.205SC..Hα-helixtrans-70.3-42.5178.6-60.6-40.1000110.5D42 K48 L49 R66D42-D45 PolarHBondContact O-N 3.28Å; D45-K48 PolarHBondContact O-N 3.47Å; D45-L49 WeakPolarHBondContact O-CG 3.18Å; D45-L49 PolarHBondContact O-N 3.4Å; D45-R66 IonicContact OD1-CZ 3.34Å; D45-R66 IonicContact OD1-NH1 3.51Å; D45-R66 PolarHBondContact OD1-NH1 3.04Å; D45-R66 IonicContact OD1-NH2 3.96Å; D45-R66 PolarHBondContact OD1-NH2 3.42Å; D45-R66 IonicContact OD2-CZ 3.53Å; D45-R66 IonicContact OD2-NH1 3.36Å; D45-R66 IonicContact OD2-NH2 2.81Å; D45-R66 PolarHBondContact OD2-NH2 2.65Å
46H98.1Very high98.3Very high55 Ų5541.3 Ų41.326%0.25521%0.209SC..Hα-helixtrans-66.8-36.2175.8-78.8-57.6000113.8D42 Y43 R50 Y213D42-H46 PolarHBondContact O-CD2 3.04Å; D42-H46 PolarHBondContact O-N 3.06Å; D42-H46 IonicContact OD2-CD2 2.71Å; D42-H46 PolarHBondContact OD2-CD2 3.28Å; D42-H46 VanDerWaalsContact OD2-CD2 3.29Å; D42-H46 IonicContact OD2-NE2 3.69Å; D42-H46 PolarHBondContact OD2-NE2 3.4Å; Y43-H46 PolarHBondContact O-N 3.47Å; H46-R50 WeakPolarHBondContact O-CG 3.27Å; H46-R50 PolarHBondContact O-N 3.43Å; H46-R50 PolarHBondContact O-NH1 3.02Å; H46-R50 VanDerWaalsContact O-NH1 3.08Å; H46-Y213 HydrophobicContact CB-CE1 3.71Å; H46-Y213 WeakPolarHBondContact CB-OH 3.44Å
47A98.4Very high98.2Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-63.2-46.1172.700000110.3Y43 L49 R50 N51 I52 I54 Y213 I216Y43-A47 WeakPolarHBondContact O-CB 3.26Å; Y43-A47 PolarHBondContact O-N 3.37Å; A47-L49 PolarHBondContact O-N 3.16Å; A47-R50 CarbonylContact O-C 3.56Å; A47-R50 WeakPolarHBondContact O-CA 3.41Å; A47-R50 PolarHBondContact O-N 3.1Å; A47-N51 PolarHBondContact O-N 3.24Å; A47-I52 HydrophobicContact CB-CB 3.94Å; A47-I52 HydrophobicContact CB-CG1 4.42Å; A47-I52 HydrophobicContact CB-CG2 4.29Å; A47-I52 WeakPolarHBondContact O-CB 3.42Å; A47-I52 WeakPolarHBondContact O-CG1 3.35Å; A47-I52 PolarHBondContact O-N 3.24Å; A47-I54 HydrophobicContact CB-CG2 3.78Å; A47-Y213 HydrophobicContact CB-CD1 3.91Å; A47-Y213 HydrophobicContact CB-CE1 4.34Å; A47-I216 HydrophobicContact CB-CG2 4.21Å
48K97Very high98.1Very high108 Ų10843.1 Ų43.147%0.4722%0.217SC..Hα-helixtrans-61-43.8177.2-173.3167.8-175.7156.30112.8L44 D45 R50 N51 I54 E58L44-K48 WeakPolarHBondContact O-CB 3.38Å; L44-K48 PolarHBondContact O-N 2.73Å; D45-K48 PolarHBondContact O-N 3.47Å; K48-R50 PolarHBondContact O-N 3.45Å; K48-N51 PolarHBondContact O-N 3.2Å; K48-I54 HydrophobicContact CB-CD1 4Å; K48-E58 IonicContact NZ-OE1 3.75Å; K48-E58 PolarHBondContact NZ-OE1 3.35Å
49L97.7Very high98Very high137 Ų13747.9 Ų47.972%0.71724%0.235SC*.Hα-helixtrans-61-25.3175.1-72172.6000112.9D45 A47D45-L49 WeakPolarHBondContact O-CG 3.18Å; D45-L49 PolarHBondContact O-N 3.4Å; A47-L49 PolarHBondContact O-N 3.16Å
50R97.5Very high97.9Very high100 Ų10047.9 Ų47.938%0.37724%0.235SC..THydrogen-bonded Turntrans-94.27177.4-70.7171.9175.879.2-8.5113.5H46 A47 K48 I52 Y213H46-R50 WeakPolarHBondContact O-CG 3.27Å; H46-R50 PolarHBondContact O-N 3.43Å; H46-R50 PolarHBondContact O-NH1 3.02Å; H46-R50 VanDerWaalsContact O-NH1 3.08Å; A47-R50 CarbonylContact O-C 3.56Å; A47-R50 WeakPolarHBondContact O-CA 3.41Å; A47-R50 PolarHBondContact O-N 3.1Å; K48-R50 PolarHBondContact O-N 3.45Å; R50-I52 HydrophobicContact CB-CD1 4.49Å; R50-I52 HydrophobicContact CB-CG1 3.81Å; R50-I52 PolarHBondContact O-N 3.32Å; R50-Y213 VanDerWaalsContact NE-CE2 3.34Å; R50-Y213 PolarHBondContact NH1-OH 3.18Å
51N97.8Very high97.7Very high153 Ų15350 Ų5082%0.81824%0.243SC*.THydrogen-bonded Turntrans59.228.6-176.1-54.1-59000114.4A47 K48A47-N51 PolarHBondContact O-N 3.24Å; K48-N51 PolarHBondContact O-N 3.2Å
52I98.3Very high97.5Very high25 Ų2553.1 Ų53.113%0.12826%0.256CS..  trans-78139.2175.7-55-69.9000109A47 R50 I54 Y213 E217A47-I52 HydrophobicContact CB-CB 3.94Å; A47-I52 HydrophobicContact CB-CG1 4.42Å; A47-I52 HydrophobicContact CB-CG2 4.29Å; A47-I52 WeakPolarHBondContact O-CB 3.42Å; A47-I52 WeakPolarHBondContact O-CG1 3.35Å; A47-I52 PolarHBondContact O-N 3.24Å; R50-I52 HydrophobicContact CB-CD1 4.49Å; R50-I52 HydrophobicContact CB-CG1 3.81Å; R50-I52 PolarHBondContact O-N 3.32Å; I52-I54 PolarHBondContact O-N 2.84Å; I52-I54 VanDerWaalsContact O-N 3.13Å; I52-Y213 HydrophobicContact CG1-CG 4.44Å; I52-E217 HydrophobicContact CG2-CB 3.84Å; I52-E217 HydrophobicContact CG2-CG 4.44Å
53N98.4Very high97.2Very high65 Ų6555.1 Ų55.135%0.34827%0.269SS..  trans-69.3111.8-179.6-177.612.8000111.5S55 E217 N220N53-S55 VanDerWaalsContact OD1-CB 3.26Å; N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 2.92Å; N53-S55 VanDerWaalsContact OD1-N 3.1Å; N53-S55 PolarHBondContact OD1-OG 3.48Å; N53-E217 HydrophobicContact CB-CG 4.3Å; N53-E217 WeakPolarHBondContact CB-OE1 3.07Å; N53-E217 PolarHBondContact N-OE1 3.48Å; N53-N220 PolarHBondContact ND2-ND2 3.47Å; N53-N220 VanDerWaalsContact O-CB 3.26Å; N53-N220 WeakPolarHBondContact O-CB 3.27Å; N53-N220 PolarHBondContact O-ND2 2.89Å
54I98.5Very high97Very high12 Ų1255 Ų556%0.06227%0.269CS..  trans-122.524.2173.960157.7000112.2L44 A47 K48 I52 S56 F57 E58 I216 N220L44-I54 HydrophobicContact CB-CD1 4.31Å; L44-I54 HydrophobicContact CD2-CB 4.3Å; L44-I54 HydrophobicContact CD2-CG2 4.01Å; L44-I54 WeakPolarHBondContact O-CD1 3.27Å; A47-I54 HydrophobicContact CB-CG2 3.78Å; K48-I54 HydrophobicContact CB-CD1 4Å; I52-I54 PolarHBondContact O-N 2.84Å; I52-I54 VanDerWaalsContact O-N 3.13Å; I54-S56 VanDerWaalsContact C-N 3.3Å; I54-S56 PolarHBondContact O-N 3.41Å; I54-F57 HydrophobicContact CB-CD2 4.23Å; I54-F57 HydrophobicContact CG2-CD2 4.42Å; I54-F57 PolarHBondContact O-N 2.93Å; I54-F57 VanDerWaalsContact O-N 3.15Å; I54-E58 HydrophobicContact CD1-CG 4.11Å; I54-E58 HydrophobicContact CG1-CG 4.19Å; I54-E58 PolarHBondContact O-N 3.24Å; I54-I216 HydrophobicContact CG2-CG2 4Å; I54-N220 VanDerWaalsContact CA-OD1 3.23Å; I54-N220 WeakPolarHBondContact CA-OD1 3.4Å
55S98.3Very high96.8Very high61 Ų6154.7 Ų54.743%0.42727%0.267SS..Hα-helixtrans-58.6-33.9-172.654.90000114.6N53 E58 R59 N220N53-S55 VanDerWaalsContact OD1-CB 3.26Å; N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 2.92Å; N53-S55 VanDerWaalsContact OD1-N 3.1Å; N53-S55 PolarHBondContact OD1-OG 3.48Å; S55-E58 PolarHBondContact O-N 2.8Å; S55-R59 WeakPolarHBondContact O-CB 3.44Å; S55-R59 PolarHBondContact O-N 3.06Å; S55-N220 PolarHBondContact N-OD1 2.83Å
56S98.7Very high96.7Very high13 Ų1352.4 Ų52.49%0.09126%0.255CS..Hα-helixtrans-70.4-41.4176.6-550000111.5I54 R59 I60 N220 G224I54-S56 VanDerWaalsContact C-N 3.3Å; I54-S56 PolarHBondContact O-N 3.41Å; S56-R59 WeakPolarHBondContact O-CB 3.27Å; S56-R59 PolarHBondContact O-N 3.39Å; S56-I60 PolarHBondContact O-N 2.95Å; S56-I60 VanDerWaalsContact O-N 3.15Å; S56-N220 WeakPolarHBondContact CA-OD1 3.37Å; S56-N220 WeakPolarHBondContact CB-O 3.33Å; S56-N220 WeakPolarHBondContact CB-OD1 3.26Å; S56-N220 PolarHBondContact N-OD1 3.04Å; S56-N220 PolarHBondContact OG-O 2.95Å; S56-N220 PolarHBondContact OG-OD1 2.83Å; S56-G224 WeakPolarHBondContact OG-CA 3.23Å; S56-G224 PolarHBondContact OG-N 3.25Å
57F98.5Very high96.7Very high2 Ų250 Ų501%0.00924%0.244CC..Hα-helixtrans-64.3-43.8172.5-66.1-70.3000111.2L36 F39 L44 I54 R59 I60 W61 I216 L219 N220 I223 L244 F366 L368L36-F57 HydrophobicContact CD1-CE1 4.29Å; L36-F57 HydrophobicContact CD1-CZ 4.33Å; F39-F57 HydrophobicContact CE2-CE1 4.48Å; F39-F57 HydrophobicContact CE2-CZ 4.03Å; F39-F57 HydrophobicContact CZ-CZ 4.35Å; L44-F57 HydrophobicContact CD1-CB 4.17Å; L44-F57 HydrophobicContact CD1-CG 4.45Å; L44-F57 HydrophobicContact CD2-CB 3.92Å; L44-F57 HydrophobicContact CD2-CD1 4.33Å; L44-F57 HydrophobicContact CD2-CD2 3.67Å; L44-F57 HydrophobicContact CD2-CE2 4.21Å; L44-F57 HydrophobicContact CD2-CG 3.73Å; I54-F57 HydrophobicContact CB-CD2 4.23Å; I54-F57 HydrophobicContact CG2-CD2 4.42Å; I54-F57 PolarHBondContact O-N 2.93Å; I54-F57 VanDerWaalsContact O-N 3.15Å; F57-R59 VanDerWaalsContact C-N 3.27Å; F57-R59 PolarHBondContact O-N 2.94Å; F57-I60 PolarHBondContact O-N 2.9Å; F57-W61 PolarHBondContact O-N 3.47Å; F57-I216 HydrophobicContact CE2-CG2 4.49Å; F57-L219 HydrophobicContact CE2-CB 4.43Å; F57-L219 HydrophobicContact CZ-CB 4.07Å; F57-N220 HydrophobicContact CD2-CB 3.93Å; F57-N220 HydrophobicContact CE2-CB 3.75Å; F57-I223 HydrophobicContact CE1-CG1 3.98Å; F57-I223 HydrophobicContact CZ-CG1 4.11Å; F57-L244 HydrophobicContact CD1-CD1 3.98Å; F57-L244 HydrophobicContact CE1-CD1 3.91Å; F57-F366 HydrophobicContact CE1-CE2 4.41Å; F57-L368 HydrophobicContact CB-CD1 3.93Å; F57-L368 HydrophobicContact CD1-CD1 3.89Å; F57-L368 HydrophobicContact CG-CD1 4.39Å
58E96.7Very high96.6Very high38 Ų3853.2 Ų53.218%0.17826%0.259CS..Hα-helixtrans-60.8-36.7174.1-72.2-162.2154.500112.1K48 I54 S55 I60 W61 K62K48-E58 IonicContact NZ-OE1 3.75Å; K48-E58 PolarHBondContact NZ-OE1 3.35Å; I54-E58 HydrophobicContact CD1-CG 4.11Å; I54-E58 HydrophobicContact CG1-CG 4.19Å; I54-E58 PolarHBondContact O-N 3.24Å; S55-E58 PolarHBondContact O-N 2.8Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-W61 PolarHBondContact O-N 3.43Å; E58-K62 WeakPolarHBondContact O-CB 3.4Å; E58-K62 VanDerWaalsContact O-CG 3.23Å; E58-K62 WeakPolarHBondContact O-CG 3.29Å; E58-K62 PolarHBondContact O-N 2.99Å; E58-K62 IonicContact OE2-NZ 2.65Å; E58-K62 PolarHBondContact OE2-NZ 3.1Å
59R95.7Very high96.6Very high99 Ų9950.2 Ų50.237%0.37425%0.246SC..Hα-helixtrans-62.5-41.4176.1176.9177.2167-167.9-0.6111.4S55 S56 F57 T63 L227 D231S55-R59 WeakPolarHBondContact O-CB 3.44Å; S55-R59 PolarHBondContact O-N 3.06Å; S56-R59 WeakPolarHBondContact O-CB 3.27Å; S56-R59 PolarHBondContact O-N 3.39Å; F57-R59 VanDerWaalsContact C-N 3.27Å; F57-R59 PolarHBondContact O-N 2.94Å; R59-T63 WeakPolarHBondContact O-CB 3.39Å; R59-T63 WeakPolarHBondContact O-CG2 3.24Å; R59-T63 PolarHBondContact O-N 3.42Å; R59-T63 PolarHBondContact O-OG1 2.87Å; R59-L227 HydrophobicContact CB-CD1 4.31Å; R59-L227 HydrophobicContact CG-CD1 4.18Å; R59-D231 IonicContact CZ-OD2 2.72Å; R59-D231 IonicContact NH1-OD2 3.72Å; R59-D231 PolarHBondContact NH1-OD2 3.2Å; R59-D231 IonicContact NH2-OD1 3.16Å; R59-D231 PolarHBondContact NH2-OD1 3.02Å; R59-D231 IonicContact NH2-OD2 3.07Å; R59-D231 PolarHBondContact NH2-OD2 3.43Å
60I96.4Very high96.6Very high0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-62.1-49175.3-69.3172.8000109.9S56 F57 E58 T63 G64 I223 L227 L244 L368 T370S56-I60 PolarHBondContact O-N 2.95Å; S56-I60 VanDerWaalsContact O-N 3.15Å; F57-I60 PolarHBondContact O-N 2.9Å; E58-I60 VanDerWaalsContact C-N 3.34Å; I60-T63 PolarHBondContact O-N 2.86Å; I60-T63 PolarHBondContact O-OG1 3.5Å; I60-G64 PolarHBondContact O-N 3.46Å; I60-I223 HydrophobicContact CD1-CG2 3.59Å; I60-L227 HydrophobicContact CD1-CD1 4.41Å; I60-L227 HydrophobicContact CD1-CD2 4.39Å; I60-L227 HydrophobicContact CG1-CD1 4.05Å; I60-L227 HydrophobicContact CG1-CD2 4.08Å; I60-L244 HydrophobicContact CD1-CD1 3.24Å; I60-L244 HydrophobicContact CD1-CG 3.92Å; I60-L368 HydrophobicContact CG2-CB 3.79Å; I60-T370 HydrophobicContact CB-CG2 4.34Å; I60-T370 HydrophobicContact CG1-CG2 4.11Å; I60-T370 HydrophobicContact CG2-CG2 3.89Å
61W94.5Very high96.7Very high58 Ų5841 Ų4122%0.2220%0.204CC..Hα-helixtrans-60-51.7177.8175.715.9000112.4F57 E58 T63 G64 R66 L368 G382 I384F57-W61 PolarHBondContact O-N 3.47Å; E58-W61 PolarHBondContact O-N 3.43Å; W61-T63 PolarHBondContact O-N 3.37Å; W61-T63 VanDerWaalsContact O-N 3.09Å; W61-G64 CarbonylContact O-C 3.56Å; W61-G64 VanDerWaalsContact O-C 3.31Å; W61-G64 PolarHBondContact O-N 3.48Å; W61-R66 HydrophobicContact CB-CB 4.43Å; W61-R66 HydrophobicContact CD2-CB 3.98Å; W61-R66 HydrophobicContact CG-CB 3.76Å; W61-L368 HydrophobicContact CB-CD2 4.15Å; W61-G382 WeakPolarHBondContact O-CA 3.44Å; W61-I384 HydrophobicContact CZ2-CD1 3.73Å; W61-I384 HydrophobicContact CZ2-CG1 3.72Å
62K93.4Very high96.7Very high99 Ų9934.2 Ų34.243%0.4317%0.167SC..Hα-helixtrans-58.8-27.2-178.3-74168.5-171.9161.60113E58 G382E58-K62 WeakPolarHBondContact O-CB 3.4Å; E58-K62 VanDerWaalsContact O-CG 3.23Å; E58-K62 WeakPolarHBondContact O-CG 3.29Å; E58-K62 PolarHBondContact O-N 2.99Å; E58-K62 IonicContact OE2-NZ 2.65Å; E58-K62 PolarHBondContact OE2-NZ 3.1Å; K62-G382 PolarHBondContact O-N 3.44Å
63T92.6Very high96.7Very high66 Ų6633.4 Ų33.441%0.40516%0.163SC..Hα-helixtrans-99.1-8.3-179.957.90000114R59 I60 W61 T370 S376R59-T63 WeakPolarHBondContact O-CB 3.39Å; R59-T63 WeakPolarHBondContact O-CG2 3.24Å; R59-T63 PolarHBondContact O-N 3.42Å; R59-T63 PolarHBondContact O-OG1 2.87Å; I60-T63 PolarHBondContact O-N 2.86Å; I60-T63 PolarHBondContact O-OG1 3.5Å; W61-T63 PolarHBondContact O-N 3.37Å; W61-T63 VanDerWaalsContact O-N 3.09Å; T63-T370 PolarHBondContact OG1-OG1 2.9Å; T63-S376 VanDerWaalsContact C-OG 3.32Å; T63-S376 WeakPolarHBondContact O-CB 3.27Å; T63-S376 PolarHBondContact O-OG 3.43Å
64G94.3Very high96.7Very high0 Ų030.4 Ų30.40%015%0.147CC..SBendtrans-147.6-118.1-179.100000111.9I60 W61 A369 Q383I60-G64 PolarHBondContact O-N 3.46Å; W61-G64 CarbonylContact O-C 3.56Å; W61-G64 VanDerWaalsContact O-C 3.31Å; W61-G64 PolarHBondContact O-N 3.48Å; G64-A369 CarbonylContact C-O 3.57Å; G64-A369 WeakPolarHBondContact CA-O 3.32Å; G64-Q383 PolarHBondContact O-N 3.18Å
65V94.6Very high96.7Very high0 Ų029.9 Ų29.90%014%0.144CC..EExtended strand (participates in β ladder)trans-133.5149.8-170.2-46.80000112.1F367 L368 A369 F374 R375 Q383 L419V65-F367 HydrophobicContact CG2-CE1 4.15Å; V65-L368 WeakPolarHBondContact O-CA 3.47Å; V65-A369 HydrophobicContact CG2-CB 3.82Å; V65-A369 PolarHBondContact N-O 2.52Å; V65-A369 PolarHBondContact O-N 3.38Å; V65-F374 HydrophobicContact CG2-CD1 4.37Å; V65-R375 WeakPolarHBondContact CG1-O 3.45Å; V65-Q383 CarbonylContact C-O 3.52Å; V65-Q383 VanDerWaalsContact CA-O 3.3Å; V65-Q383 WeakPolarHBondContact CA-O 3.35Å; V65-Q383 HydrophobicContact CB-CB 4.41Å; V65-Q383 HydrophobicContact CG1-CB 4.01Å; V65-L419 HydrophobicContact CG2-CD2 4.4Å
66R96.1Very high96.7Very high10 Ų1027 Ų274%0.03812%0.124CC..EExtended strand (participates in β ladder)trans-124.9133.2165.6175173.5-176.4-170.3-2.2108.6D45 W61 M68 L368 Q383 I384 I385D45-R66 IonicContact OD1-CZ 3.34Å; D45-R66 IonicContact OD1-NH1 3.51Å; D45-R66 PolarHBondContact OD1-NH1 3.04Å; D45-R66 IonicContact OD1-NH2 3.96Å; D45-R66 PolarHBondContact OD1-NH2 3.42Å; D45-R66 IonicContact OD2-CZ 3.53Å; D45-R66 IonicContact OD2-NH1 3.36Å; D45-R66 IonicContact OD2-NH2 2.81Å; D45-R66 PolarHBondContact OD2-NH2 2.65Å; W61-R66 HydrophobicContact CB-CB 4.43Å; W61-R66 HydrophobicContact CD2-CB 3.98Å; W61-R66 HydrophobicContact CG-CB 3.76Å; R66-M68 HydrophobicContact CG-SD 4.2Å; R66-L368 HydrophobicContact CB-CD2 3.56Å; R66-L368 HydrophobicContact CG-CD2 3.61Å; R66-Q383 PolarHBondContact N-O 3.07Å; R66-I384 WeakPolarHBondContact O-CA 3.28Å; R66-I385 PolarHBondContact O-N 2.91Å
67V96.7Very high96.6Very high4 Ų428 Ų282%0.02413%0.126CC..EExtended strand (participates in β ladder)trans-101.7133.8169.7-178.20000108.3K69 V70 F367 I385 I388 L419V67-K69 WeakPolarHBondContact CG1-O 3.2Å; V67-V70 HydrophobicContact CG1-CG2 4.36Å; V67-F367 HydrophobicContact CB-CB 4.07Å; V67-F367 HydrophobicContact CB-CD1 4.05Å; V67-F367 HydrophobicContact CB-CG 4.35Å; V67-F367 HydrophobicContact CG2-CB 4.34Å; V67-F367 HydrophobicContact CG2-CD1 3.42Å; V67-F367 VanDerWaalsContact CG2-CD1 3.42Å; V67-F367 HydrophobicContact CG2-CE1 3.96Å; V67-F367 HydrophobicContact CG2-CG 4.06Å; V67-F367 PolarHBondContact N-O 2.86Å; V67-I385 CarbonylContact C-O 3.57Å; V67-I385 WeakPolarHBondContact CA-O 3.47Å; V67-I385 HydrophobicContact CB-CB 4.48Å; V67-I385 HydrophobicContact CG1-CG2 4.38Å; V67-I385 HydrophobicContact CG2-CB 3.96Å; V67-I385 HydrophobicContact CG2-CG2 4.21Å; V67-I388 HydrophobicContact CG1-CG1 4.15Å; V67-I388 HydrophobicContact CG1-CG2 4.17Å; V67-I388 HydrophobicContact CG2-CD1 4.22Å; V67-I388 HydrophobicContact CG2-CG2 4.08Å; V67-L419 HydrophobicContact CG2-CD2 4.4Å
68M96.4Very high96.6Very high68 Ų6828.5 Ų28.534%0.33513%0.129SC..EExtended strand (participates in β ladder)trans-81.4-34.4-177.4-60.2-54.5-58.600112.7H41 R66 I384 I385H41-M68 PolarHBondContact CD2-O 3.34Å; R66-M68 HydrophobicContact CG-SD 4.2Å; M68-I384 HydrophobicContact CG-CG2 3.58Å; M68-I384 HydrophobicContact SD-CG2 3.93Å; M68-I385 PolarHBondContact N-O 3.17Å
69K97.4Very high96.7Very high45 Ų4526.8 Ų26.820%0.19612%0.122CC..EExtended strand (participates in β ladder)trans-137.1124.8177.1-177.8165.2-176.31630111.9V67 D361 N386 S387 I388V67-K69 WeakPolarHBondContact CG1-O 3.2Å; K69-D361 WeakPolarHBondContact CE-OD1 3.48Å; K69-D361 IonicContact NZ-OD1 3.5Å; K69-D361 PolarHBondContact NZ-OD1 3.04Å; K69-N386 PolarHBondContact N-O 3.37Å; K69-S387 CarbonylContact O-C 3.43Å; K69-S387 WeakPolarHBondContact O-CA 3.24Å; K69-S387 WeakPolarHBondContact O-CB 3.43Å; K69-I388 PolarHBondContact O-N 3.07Å; K69-I388 VanDerWaalsContact O-N 3.1Å
70V98.6Very high96.8Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-102.6112.6167.6-178.70000107.2V67 N72 P365 F367 I388 L390V67-V70 HydrophobicContact CG1-CG2 4.36Å; V70-N72 PolarHBondContact O-N 2.77Å; V70-P365 HydrophobicContact CB-CG 3.82Å; V70-P365 HydrophobicContact CG1-CG 3.87Å; V70-F367 HydrophobicContact CG2-CB 3.7Å; V70-I388 CarbonylContact C-O 3.59Å; V70-I388 WeakPolarHBondContact CA-O 3.21Å; V70-I388 HydrophobicContact CB-CG1 4.48Å; V70-I388 HydrophobicContact CG1-CG1 4.23Å; V70-I388 HydrophobicContact CG2-CD1 4.33Å; V70-I388 HydrophobicContact CG2-CG1 4.04Å; V70-L390 HydrophobicContact CG1-CB 4.15Å; V70-L390 HydrophobicContact CG1-CD1 4.17Å
71H98.4Very high96.9Very high42 Ų4222 Ų2219%0.19410%0.104CC..EExtended strand (participates in β ladder)trans-67.1120.1173-66.5-80.9000108.6S387 I388 Y389 L390H71-S387 PolarHBondContact NE2-OG 3.3Å; H71-I388 PolarHBondContact CD2-O 2.9Å; H71-I388 PolarHBondContact N-O 3.21Å; H71-Y389 HydrophobicContact CB-CD1 3.51Å; H71-Y389 HydrophobicContact CB-CE1 3.76Å; H71-Y389 HydrophobicContact CB-CG 4.08Å; H71-L390 PolarHBondContact O-N 3.46Å
72N98.2Very high97.1Very high11 Ų1119.3 Ų19.36%0.0599%0.093CC..PPolyproline II helixtrans-93.6170.8-169.3-145.810000112.4V70 T76 N81 D247 H248 P358 M363 L390V70-N72 PolarHBondContact O-N 2.77Å; N72-T76 HydrophobicContact CB-CG2 4.15Å; N72-N81 VanDerWaalsContact CG-OD1 3.25Å; N72-N81 PolarHBondContact OD1-OD1 3.27Å; N72-D247 PolarHBondContact ND2-O 2.78Å; N72-D247 PolarHBondContact OD1-O 2.89Å; N72-D247 VanDerWaalsContact OD1-O 3.09Å; N72-H248 WeakPolarHBondContact ND2-CA 3.36Å; N72-P358 HydrophobicContact CB-CB 3.91Å; N72-P358 WeakPolarHBondContact O-CB 3.35Å; N72-M363 PolarHBondContact ND2-O 3.31Å; N72-M363 VanDerWaalsContact ND2-O 3.14Å; N72-L390 WeakPolarHBondContact OD1-CD2 3.33Å
73E98.3Very high97.3Very high9 Ų914.6 Ų14.64%0.0427%0.073CC..PPolyproline II helixtrans-92.7150.8173.4-60.3-69.2130.100110.7I75 T76 N81 H90 E91 L390 I391E73-I75 CarbonylContact O-C 3.57Å; E73-T76 WeakPolarHBondContact O-CG2 3.27Å; E73-T76 PolarHBondContact O-N 3.5Å; E73-N81 WeakPolarHBondContact CB-OD1 3.27Å; E73-N81 PolarHBondContact N-OD1 2.96Å; E73-N81 PolarHBondContact O-OD1 3.23Å; E73-H90 IonicContact OE1-CE1 3.28Å; E73-H90 IonicContact OE1-ND1 2.91Å; E73-H90 WeakPolarHBondContact OE2-CA 3.44Å; E73-H90 IonicContact OE2-CE1 3.97Å; E73-H90 IonicContact OE2-CG 3.48Å; E73-H90 IonicContact OE2-ND1 3.85Å; E73-H90 PolarHBondContact OE2-ND1 3.4Å; E73-E91 HydrophobicContact CB-CG 4.35Å; E73-L390 HydrophobicContact CG-CD2 4.08Å; E73-I391 HydrophobicContact CG-CG2 3.99Å; E73-I391 WeakPolarHBondContact OE1-CG2 3.41Å
74F98.3Very high97.6Very high2 Ų211.5 Ų11.51%0.0095%0.054CC..SBendtrans-96.7128.5172.1-177.5-98.4000109F280 L317 Y319 Y331 P358F74-F280 HydrophobicContact CE1-CD2 4.25Å; F74-F280 AromaticContact CE1-CE2 3.87Å; F74-F280 HydrophobicContact CE1-CE2 3.87Å; F74-F280 AromaticContact CZ-CD2 3.77Å; F74-F280 HydrophobicContact CZ-CD2 3.77Å; F74-F280 AromaticContact CZ-CE2 3.84Å; F74-F280 HydrophobicContact CZ-CE2 3.84Å; F74-L317 HydrophobicContact CB-CB 4.05Å; F74-L317 HydrophobicContact CB-CD2 3.92Å; F74-L317 HydrophobicContact CB-CG 4.47Å; F74-L317 HydrophobicContact CD1-CB 4.22Å; F74-L317 HydrophobicContact CD1-CD1 4.29Å; F74-L317 HydrophobicContact CD2-CD2 4.42Å; F74-L317 HydrophobicContact CE1-CD1 4.47Å; F74-L317 HydrophobicContact CG-CB 4.28Å; F74-L317 HydrophobicContact CG-CD1 4.32Å; F74-L317 HydrophobicContact CG-CD2 4.16Å; F74-L317 HydrophobicContact CG-CG 4.5Å; F74-Y319 AromaticContact CD1-CD1 3.93Å; F74-Y319 HydrophobicContact CD1-CD1 3.93Å; F74-Y319 AromaticContact CD1-CD2 3.98Å; F74-Y319 HydrophobicContact CD1-CD2 3.98Å; F74-Y319 AromaticContact CD1-CG 3.59Å; F74-Y319 HydrophobicContact CD1-CG 3.59Å; F74-Y319 AromaticContact CE1-CD1 3.76Å; F74-Y319 HydrophobicContact CE1-CD1 3.76Å; F74-Y319 HydrophobicContact CE1-CE1 4.26Å; F74-Y319 AromaticContact CE1-CG 3.94Å; F74-Y319 HydrophobicContact CE1-CG 3.94Å; F74-Y319 WeakPolarHBondContact O-CD2 3.41Å; F74-Y331 HydrophobicContact CE2-CD1 4.19Å; F74-Y331 HydrophobicContact CE2-CD2 4.41Å; F74-Y331 HydrophobicContact CE2-CE1 4.25Å; F74-Y331 HydrophobicContact CE2-CE2 4.46Å; F74-Y331 HydrophobicContact CE2-CG 4.26Å; F74-Y331 AromaticContact CZ-CD1 3.68Å; F74-Y331 HydrophobicContact CZ-CD1 3.68Å; F74-Y331 AromaticContact CZ-CE1 3.81Å; F74-Y331 HydrophobicContact CZ-CE1 3.81Å; F74-Y331 HydrophobicContact CZ-CG 4.14Å; F74-P358 HydrophobicContact CB-CG 4.08Å
75I98.2Very high97.8Very high0 Ų011.5 Ų11.50%05%0.054CC..SBendcis-88.71425.365.5176.4000112.3E73 R77 P80 N81 E91 V97 D98 F280 Y319E73-I75 CarbonylContact O-C 3.57Å; I75-R77 HydrophobicContact CD1-CB 4.38Å; I75-R77 HydrophobicContact CD1-CG 3.89Å; I75-R77 HydrophobicContact CG1-CB 4.24Å; I75-R77 HydrophobicContact CG1-CG 4.02Å; I75-R77 PolarHBondContact O-N 3Å; I75-P80 HydrophobicContact CG1-CG 4.48Å; I75-N81 PolarHBondContact O-ND2 2.94Å; I75-E91 PolarHBondContact N-OE1 3.47Å; I75-E91 PolarHBondContact N-OE2 3.39Å; I75-V97 WeakPolarHBondContact CD1-O 3.32Å; I75-D98 HydrophobicContact CD1-CB 3.77Å; I75-D98 VanDerWaalsContact CD1-CG 3.44Å; I75-F280 HydrophobicContact CD1-CB 4.44Å; I75-F280 HydrophobicContact CD1-CD1 3.72Å; I75-F280 HydrophobicContact CD1-CE1 4.12Å; I75-F280 HydrophobicContact CD1-CG 4.08Å; I75-F280 HydrophobicContact CG2-CB 4.38Å; I75-F280 HydrophobicContact CG2-CD1 4.12Å; I75-F280 HydrophobicContact CG2-CD2 3.35Å; I75-F280 HydrophobicContact CG2-CE1 4.24Å; I75-F280 HydrophobicContact CG2-CE2 3.45Å; I75-F280 VanDerWaalsContact CG2-CE2 3.45Å; I75-F280 HydrophobicContact CG2-CG 3.7Å; I75-F280 HydrophobicContact CG2-CZ 3.95Å; I75-Y319 HydrophobicContact CG2-CE2 4.09Å
76T98.4Very high98Very high0 Ų011.5 Ų11.50%05%0.054CC..  trans-76.166.6-174.167.50000113N72 E73 H248 H354 G355 Y356 P358 M363N72-T76 HydrophobicContact CB-CG2 4.15Å; E73-T76 WeakPolarHBondContact O-CG2 3.27Å; E73-T76 PolarHBondContact O-N 3.5Å; T76-H248 PolarHBondContact O-CD2 2.86Å; T76-H354 PolarHBondContact O-ND1 3.35Å; T76-H354 VanDerWaalsContact O-ND1 3.07Å; T76-G355 WeakPolarHBondContact O-CA 3.24Å; T76-G355 PolarHBondContact O-N 2.83Å; T76-G355 VanDerWaalsContact O-N 3.12Å; T76-G355 WeakPolarHBondContact OG1-CA 3.36Å; T76-G355 PolarHBondContact OG1-N 3.28Å; T76-Y356 WeakPolarHBondContact CG2-O 3.4Å; T76-Y356 PolarHBondContact OG1-N 3.49Å; T76-Y356 PolarHBondContact OG1-O 3.46Å; T76-P358 HydrophobicContact CG2-CB 3.91Å; T76-M363 HydrophobicContact CG2-CB 3.91Å; T76-M363 HydrophobicContact CG2-CG 4.23Å; T76-M363 PolarHBondContact OG1-SD 3.08Å
77R98Very high98.1Very high34 Ų3411 Ų1113%0.1285%0.052CC..  trans-126157.7-178.1-65.4-16776178.5-1.2112.4I75 G79 P80 N81 D98I75-R77 HydrophobicContact CD1-CB 4.38Å; I75-R77 HydrophobicContact CD1-CG 3.89Å; I75-R77 HydrophobicContact CG1-CB 4.24Å; I75-R77 HydrophobicContact CG1-CG 4.02Å; I75-R77 PolarHBondContact O-N 3Å; R77-G79 PolarHBondContact O-N 3.33Å; R77-P80 WeakPolarHBondContact O-CD 3.37Å; R77-N81 PolarHBondContact N-ND2 2.86Å; R77-N81 PolarHBondContact O-N 3.36Å; R77-N81 VanDerWaalsContact O-N 3.1Å; R77-N81 PolarHBondContact O-ND2 2.82Å; R77-D98 VanDerWaalsContact CD-OD1 3.28Å; R77-D98 WeakPolarHBondContact CD-OD1 3.13Å; R77-D98 IonicContact CZ-OD1 2.88Å; R77-D98 VanDerWaalsContact CZ-OD1 3.32Å; R77-D98 IonicContact NE-OD1 3.62Å; R77-D98 IonicContact NH1-OD1 3.98Å; R77-D98 PolarHBondContact NH1-OD1 3.33Å; R77-D98 IonicContact NH1-OD2 3.61Å
78T98.1Very high98.2Very high13 Ų1310.9 Ų10.98%0.085%0.051CC..Hα-helixtrans-43.2-67-174-37.90000115.7D37 H82 L112 P148 Y194 D247D37-T78 VanDerWaalsContact OD2-CG2 3.24Å; D37-T78 WeakPolarHBondContact OD2-CG2 3.42Å; T78-H82 WeakPolarHBondContact O-CB 3.34Å; T78-H82 PolarHBondContact O-N 2.8Å; T78-H82 PolarHBondContact O-ND1 2.89Å; T78-L112 HydrophobicContact CG2-CD2 4.5Å; T78-P148 HydrophobicContact CG2-CG 4.48Å; T78-Y194 HydrophobicContact CG2-CE2 4.21Å; T78-D247 WeakPolarHBondContact CA-OD2 3.27Å
79G97.4Very high98.3Very high2 Ų28.5 Ų8.52%0.0214%0.04CC..Hα-helixtrans-61-54.2-174.100000113.1R77 L83 N99R77-G79 PolarHBondContact O-N 3.33Å; G79-L83 PolarHBondContact O-N 2.82Å; G79-N99 WeakPolarHBondContact CA-OD1 3.37Å; G79-N99 PolarHBondContact N-OD1 3.42Å
80P98.2Very high98.3Very high0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-58.6-50.2-179.8-25.532.4000114.4I75 R77 L83 S84 E91 H94 I96 N99I75-P80 HydrophobicContact CG1-CG 4.48Å; R77-P80 WeakPolarHBondContact O-CD 3.37Å; P80-L83 PolarHBondContact O-N 3.45Å; P80-L83 VanDerWaalsContact O-N 3.14Å; P80-S84 PolarHBondContact O-N 3.49Å; P80-S84 PolarHBondContact O-OG 3.43Å; P80-E91 HydrophobicContact CB-CG 3.71Å; P80-E91 WeakPolarHBondContact CB-OE1 3.34Å; P80-E91 VanDerWaalsContact CB-OE2 3.24Å; P80-E91 WeakPolarHBondContact CB-OE2 3.49Å; P80-H94 PolarHBondContact O-CE1 2.84Å; P80-H94 PolarHBondContact O-NE2 2.85Å; P80-I96 VanDerWaalsContact CB-O 3.3Å; P80-I96 WeakPolarHBondContact CB-O 3.28Å; P80-I96 HydrophobicContact CG-CG2 4.09Å; P80-N99 WeakPolarHBondContact CD-OD1 3.49Å
81N98.7Very high98.3Very high0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-73.9-35.6-173.6-77.7-104.1000111.8N72 E73 I75 R77 L83 S84 L85 E91 D247 L390N72-N81 VanDerWaalsContact CG-OD1 3.25Å; N72-N81 PolarHBondContact OD1-OD1 3.27Å; E73-N81 WeakPolarHBondContact CB-OD1 3.27Å; E73-N81 PolarHBondContact N-OD1 2.96Å; E73-N81 PolarHBondContact O-OD1 3.23Å; I75-N81 PolarHBondContact O-ND2 2.94Å; R77-N81 PolarHBondContact N-ND2 2.86Å; R77-N81 PolarHBondContact O-N 3.36Å; R77-N81 VanDerWaalsContact O-N 3.1Å; R77-N81 PolarHBondContact O-ND2 2.82Å; N81-L83 PolarHBondContact O-N 3.3Å; N81-S84 PolarHBondContact O-N 2.84Å; N81-L85 WeakPolarHBondContact O-CB 3.44Å; N81-L85 PolarHBondContact O-N 2.96Å; N81-E91 PolarHBondContact ND2-OE1 2.96Å; N81-D247 HydrophobicContact CB-CB 3.97Å; N81-D247 WeakPolarHBondContact CB-O 3.34Å; N81-L390 HydrophobicContact CB-CD2 3.89Å; N81-L390 WeakPolarHBondContact OD1-CD2 3.4Å
82H98.6Very high98.2Very high0 Ų06.3 Ų6.30%03%0.03CC..Hα-helixtrans-60.9-33.1170.7-82.893.3000112.7S35 T78 V86 W147 P148 Y194 D247S35-H82 VanDerWaalsContact CB-NE2 3.35Å; S35-H82 WeakPolarHBondContact CB-NE2 3.32Å; S35-H82 PolarHBondContact OG-NE2 3.48Å; T78-H82 WeakPolarHBondContact O-CB 3.34Å; T78-H82 PolarHBondContact O-N 2.8Å; T78-H82 PolarHBondContact O-ND1 2.89Å; H82-V86 WeakPolarHBondContact O-CG2 3.31Å; H82-W147 AromaticContact CD2-CE2 3.85Å; H82-W147 AromaticContact CD2-CZ2 3.88Å; H82-W147 PolarHBondContact O-NE1 3.42Å; H82-P148 HydrophobicContact CB-CB 3.95Å; H82-P148 HydrophobicContact CB-CG 3.69Å; H82-Y194 AromaticContact CE1-CD2 3.73Å; H82-Y194 AromaticContact CE1-CE2 3.69Å; H82-Y194 AromaticContact NE2-CD2 3.33Å; H82-Y194 VanDerWaalsContact NE2-CD2 3.33Å; H82-Y194 WeakPolarHBondContact NE2-CD2 3.45Å; H82-Y194 AromaticContact NE2-CE2 3.8Å; H82-D247 VanDerWaalsContact CE1-CB 3.4Å; H82-D247 WeakPolarHBondContact CE1-CB 3.3Å; H82-D247 IonicContact CE1-OD1 3.97Å; H82-D247 PolarHBondContact CE1-OD1 3.25Å; H82-D247 IonicContact CE1-OD2 3.23Å; H82-D247 PolarHBondContact CE1-OD2 3.02Å; H82-D247 WeakPolarHBondContact ND1-CB 3.37Å; H82-D247 VanDerWaalsContact ND1-CG 3.31Å; H82-D247 IonicContact ND1-OD2 2.87Å; H82-D247 PolarHBondContact ND1-OD2 2.82Å; H82-D247 VanDerWaalsContact ND1-OD2 3.08Å
83L98.1Very high98.2Very high1 Ų17.8 Ų7.81%0.0054%0.041CC..Hα-helixtrans-77.6-39.3176-168.758.8000111.6G79 P80 N81 L85 V86 T87 H94 I96 F124 F154G79-L83 PolarHBondContact O-N 2.82Å; P80-L83 PolarHBondContact O-N 3.45Å; P80-L83 VanDerWaalsContact O-N 3.14Å; N81-L83 PolarHBondContact O-N 3.3Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-L85 PolarHBondContact O-N 3.33Å; L83-V86 HydrophobicContact CD1-CG2 4Å; L83-V86 WeakPolarHBondContact O-CG2 3.32Å; L83-V86 PolarHBondContact O-N 2.94Å; L83-T87 HydrophobicContact CD1-CG2 3.73Å; L83-T87 HydrophobicContact CG-CG2 4.08Å; L83-T87 WeakPolarHBondContact O-CB 3.29Å; L83-T87 VanDerWaalsContact O-CG2 3.32Å; L83-T87 WeakPolarHBondContact O-CG2 3.3Å; L83-T87 PolarHBondContact O-N 3.06Å; L83-T87 PolarHBondContact O-OG1 2.84Å; L83-H94 HydrophobicContact CD2-CB 4.1Å; L83-H94 WeakPolarHBondContact CD2-ND1 3.35Å; L83-H94 HydrophobicContact CG-CB 4.31Å; L83-I96 HydrophobicContact CD2-CB 4.04Å; L83-I96 HydrophobicContact CD2-CG1 3.44Å; L83-I96 VanDerWaalsContact CD2-CG1 3.44Å; L83-F124 HydrophobicContact CD2-CD1 4.1Å; L83-F154 HydrophobicContact CD1-CE1 4.24Å; L83-F154 HydrophobicContact CD1-CZ 3.95Å
84S98.7Very high98.1Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-56.1-44.8172.3-69.50000111.6P80 N81 V86 T87 G88 M89 H94P80-S84 PolarHBondContact O-N 3.49Å; P80-S84 PolarHBondContact O-OG 3.43Å; N81-S84 PolarHBondContact O-N 2.84Å; S84-V86 VanDerWaalsContact C-N 3.33Å; S84-V86 PolarHBondContact O-N 3.5Å; S84-T87 PolarHBondContact O-N 2.83Å; S84-G88 VanDerWaalsContact O-CA 3.3Å; S84-G88 WeakPolarHBondContact O-CA 3.33Å; S84-G88 PolarHBondContact O-N 2.94Å; S84-M89 WeakPolarHBondContact CA-O 3.41Å; S84-M89 WeakPolarHBondContact CB-O 3.48Å; S84-M89 PolarHBondContact OG-O 3.37Å; S84-H94 PolarHBondContact OG-CD2 2.95Å; S84-H94 PolarHBondContact OG-NE2 3.4Å
85L98.7Very high98Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-56.7-43.9177.9-169.1163.4000112.6N81 L83 W147 T245 L390 I393 M397N81-L85 WeakPolarHBondContact O-CB 3.44Å; N81-L85 PolarHBondContact O-N 2.96Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-L85 PolarHBondContact O-N 3.33Å; L85-W147 HydrophobicContact CB-CZ2 4.46Å; L85-W147 HydrophobicContact CD1-CH2 4.21Å; L85-W147 HydrophobicContact CD1-CZ2 4.05Å; L85-W147 HydrophobicContact CD2-CH2 3.92Å; L85-W147 HydrophobicContact CD2-CZ2 3.71Å; L85-W147 HydrophobicContact CG-CZ2 4.29Å; L85-T245 HydrophobicContact CD1-CG2 3.74Å; L85-L390 HydrophobicContact CB-CG 4.44Å; L85-L390 HydrophobicContact CD1-CD1 4.34Å; L85-I393 HydrophobicContact CD1-CD1 4.35Å; L85-I393 HydrophobicContact CD2-CB 4.49Å; L85-I393 HydrophobicContact CD2-CG2 3.81Å; L85-I393 HydrophobicContact CG-CB 4.34Å; L85-I393 HydrophobicContact CG-CD1 4.16Å; L85-I393 HydrophobicContact CG-CG2 4.11Å; L85-M397 HydrophobicContact CD2-CE 3.99Å; L85-M397 WeakPolarHBondContact O-CE 3.29Å
86V98.6Very high98Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-91.9-6.3-175-61.10000114.8H82 L83 S84 P130 I131 W132 W147 L192 Y394H82-V86 WeakPolarHBondContact O-CG2 3.31Å; L83-V86 HydrophobicContact CD1-CG2 4Å; L83-V86 WeakPolarHBondContact O-CG2 3.32Å; L83-V86 PolarHBondContact O-N 2.94Å; S84-V86 VanDerWaalsContact C-N 3.33Å; S84-V86 PolarHBondContact O-N 3.5Å; V86-P130 HydrophobicContact CB-CB 4.43Å; V86-P130 HydrophobicContact CG2-CB 3.97Å; V86-P130 CarbonylContact O-C 3.32Å; V86-P130 VanDerWaalsContact O-CA 3.28Å; V86-P130 WeakPolarHBondContact O-CA 3.49Å; V86-I131 HydrophobicContact CB-CG2 4.04Å; V86-I131 HydrophobicContact CG1-CG2 4.24Å; V86-I131 PolarHBondContact O-N 3.27Å; V86-W132 HydrophobicContact CB-CZ3 3.95Å; V86-W132 HydrophobicContact CG1-CZ3 4.12Å; V86-W132 HydrophobicContact CG2-CH2 3.97Å; V86-W132 HydrophobicContact CG2-CZ3 3.67Å; V86-W147 HydrophobicContact CG1-CD2 4.24Å; V86-W147 HydrophobicContact CG1-CH2 4.32Å; V86-W147 HydrophobicContact CG1-CZ2 3.43Å; V86-W147 VanDerWaalsContact CG1-CZ2 3.43Å; V86-W147 VanDerWaalsContact CG1-NE1 3.32Å; V86-L192 HydrophobicContact CG1-CD1 4.14Å; V86-Y394 WeakPolarHBondContact O-CD2 3.39Å; V86-Y394 WeakPolarHBondContact O-CE2 3.37Å
87T98.6Very high97.9Very high1 Ų17.6 Ų7.61%0.0064%0.042CC..Hα-helixtrans-116.3-19.8178.159.80000112.7L83 S84 M89 P130 N409L83-T87 HydrophobicContact CD1-CG2 3.73Å; L83-T87 HydrophobicContact CG-CG2 4.08Å; L83-T87 WeakPolarHBondContact O-CB 3.29Å; L83-T87 VanDerWaalsContact O-CG2 3.32Å; L83-T87 WeakPolarHBondContact O-CG2 3.3Å; L83-T87 PolarHBondContact O-N 3.06Å; L83-T87 PolarHBondContact O-OG1 2.84Å; S84-T87 PolarHBondContact O-N 2.83Å; T87-M89 PolarHBondContact O-N 3.2Å; T87-M89 PolarHBondContact OG1-N 2.86Å; T87-P130 HydrophobicContact CG2-CB 4.2Å; T87-N409 VanDerWaalsContact O-CB 3.27Å; T87-N409 WeakPolarHBondContact O-CB 3.38Å
88G98.5Very high97.9Very high0 Ų06.1 Ų6.10%04%0.037CC..  trans66.219-171.800000113S84 I391 Y394 N410 G411S84-G88 VanDerWaalsContact O-CA 3.3Å; S84-G88 WeakPolarHBondContact O-CA 3.33Å; S84-G88 PolarHBondContact O-N 2.94Å; G88-I391 WeakPolarHBondContact CA-O 3.42Å; G88-Y394 VanDerWaalsContact CA-CB 3.41Å; G88-Y394 VanDerWaalsContact N-CB 3.26Å; G88-N410 CarbonylContact O-C 3.31Å; G88-N410 WeakPolarHBondContact O-CA 3.26Å; G88-N410 WeakPolarHBondContact O-CB 3.31Å; G88-N410 PolarHBondContact O-N 3.15Å; G88-G411 PolarHBondContact O-N 3.33Å
89M98.4Very high97.9Very high19 Ų196.4 Ų6.49%0.0944%0.038CC..  trans-106.1150.6-176-63.917673.200110.7S84 T87 S93 H94 N410S84-M89 WeakPolarHBondContact CA-O 3.41Å; S84-M89 WeakPolarHBondContact CB-O 3.48Å; S84-M89 PolarHBondContact OG-O 3.37Å; T87-M89 PolarHBondContact O-N 3.2Å; T87-M89 PolarHBondContact OG1-N 2.86Å; M89-S93 WeakPolarHBondContact CE-O 3.35Å; M89-H94 HydrophobicContact CB-CB 4.07Å; M89-H94 PolarHBondContact O-CD2 3.48Å; M89-H94 HydrophobicContact SD-CB 4.3Å; M89-N410 VanDerWaalsContact CA-OD1 3.23Å; M89-N410 WeakPolarHBondContact CA-OD1 3.36Å
90H98.2Very high98Very high16 Ų168.3 Ų8.37%0.0745%0.046CC..  trans-67.8160.1167-58-60.4000111.3E73 E92 S93 H94 H318 I391 N410E73-H90 IonicContact OE1-CE1 3.28Å; E73-H90 IonicContact OE1-ND1 2.91Å; E73-H90 WeakPolarHBondContact OE2-CA 3.44Å; E73-H90 IonicContact OE2-CE1 3.97Å; E73-H90 IonicContact OE2-CG 3.48Å; E73-H90 IonicContact OE2-ND1 3.85Å; E73-H90 PolarHBondContact OE2-ND1 3.4Å; H90-E92 VanDerWaalsContact C-N 3.32Å; H90-E92 HydrophobicContact CB-CG 4.27Å; H90-E92 PolarHBondContact O-N 3.08Å; H90-S93 WeakPolarHBondContact O-CA 3.44Å; H90-S93 WeakPolarHBondContact O-CB 3.39Å; H90-S93 PolarHBondContact O-N 3.17Å; H90-H94 PolarHBondContact O-CD2 3.44Å; H90-H94 PolarHBondContact O-N 3.39Å; H90-H318 HydrophobicContact CB-CB 3.78Å; H90-H318 AromaticContact CD2-CG 3.68Å; H90-H318 AromaticContact CD2-ND1 3.81Å; H90-H318 AromaticContact CE1-CD2 3.23Å; H90-H318 PolarHBondContact CE1-CD2 3.25Å; H90-H318 AromaticContact CE1-CG 3.55Å; H90-H318 AromaticContact CE1-NE2 3.61Å; H90-H318 AromaticContact CG-CG 3.73Å; H90-H318 AromaticContact ND1-CD2 3.6Å; H90-H318 AromaticContact ND1-CG 3.65Å; H90-H318 AromaticContact NE2-CD2 3.62Å; H90-H318 AromaticContact NE2-CE1 3.72Å; H90-H318 AromaticContact NE2-CG 3.61Å; H90-H318 AromaticContact NE2-ND1 3.69Å; H90-H318 AromaticContact NE2-NE2 3.7Å; H90-I391 VanDerWaalsContact CE1-CD1 3.49Å; H90-I391 WeakPolarHBondContact CE1-CD1 3.24Å; H90-N410 PolarHBondContact CD2-OD1 3.47Å; H90-N410 PolarHBondContact N-OD1 3.02Å; H90-N410 WeakPolarHBondContact NE2-CB 3.18Å
91E97.7Very high98Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-59.6-40.4179.7-62.1-169.3-165.800113.5E73 I75 P80 N81 S93 H94 G95 Y319E73-E91 HydrophobicContact CB-CG 4.35Å; I75-E91 PolarHBondContact N-OE1 3.47Å; I75-E91 PolarHBondContact N-OE2 3.39Å; P80-E91 HydrophobicContact CB-CG 3.71Å; P80-E91 WeakPolarHBondContact CB-OE1 3.34Å; P80-E91 VanDerWaalsContact CB-OE2 3.24Å; P80-E91 WeakPolarHBondContact CB-OE2 3.49Å; N81-E91 PolarHBondContact ND2-OE1 2.96Å; E91-S93 PolarHBondContact O-N 2.85Å; E91-H94 WeakPolarHBondContact CA-NE2 3.39Å; E91-G95 WeakPolarHBondContact O-CA 3.47Å; E91-G95 PolarHBondContact O-N 2.89Å; E91-Y319 HydrophobicContact CB-CD2 4.23Å; E91-Y319 HydrophobicContact CB-CE2 4.37Å; E91-Y319 WeakPolarHBondContact OE2-CE2 3.48Å
92E97Very high97.9Very high25 Ų2510.5 Ų10.512%0.1176%0.055CC..Hα-helixtrans-62-24.5175.270.1179.4-154.700112.7H90 H318 Y319 S320 N321H90-E92 VanDerWaalsContact C-N 3.32Å; H90-E92 HydrophobicContact CB-CG 4.27Å; H90-E92 PolarHBondContact O-N 3.08Å; E92-H318 WeakPolarHBondContact CB-O 3.4Å; E92-H318 VanDerWaalsContact CD-C 3.41Å; E92-H318 WeakPolarHBondContact CG-O 3.06Å; E92-Y319 PolarHBondContact OE2-N 3.03Å; E92-S320 PolarHBondContact OE2-N 2.95Å; E92-N321 HydrophobicContact CB-CB 4.36Å; E92-N321 HydrophobicContact CG-CB 4.24Å; E92-N321 PolarHBondContact OE1-ND2 3.34Å; E92-N321 WeakPolarHBondContact OE2-CB 3.19Å; E92-N321 PolarHBondContact OE2-N 2.97Å
93S96.9Very high97.9Very high42 Ų4210.5 Ų10.529%0.2946%0.055SC..Hα-helixtrans-91.7-44.2-176.5-61.70000112.6M89 H90 E91M89-S93 WeakPolarHBondContact CE-O 3.35Å; H90-S93 WeakPolarHBondContact O-CA 3.44Å; H90-S93 WeakPolarHBondContact O-CB 3.39Å; H90-S93 PolarHBondContact O-N 3.17Å; E91-S93 PolarHBondContact O-N 2.85Å
94H96.9Very high97.9Very high0 Ų013 Ų130%07%0.072CC..Hα-helixtrans-85-14177.466.166.5000113.4P80 L83 S84 M89 H90 E91 I96 V126P80-H94 PolarHBondContact O-CE1 2.84Å; P80-H94 PolarHBondContact O-NE2 2.85Å; L83-H94 HydrophobicContact CD2-CB 4.1Å; L83-H94 WeakPolarHBondContact CD2-ND1 3.35Å; L83-H94 HydrophobicContact CG-CB 4.31Å; S84-H94 PolarHBondContact OG-CD2 2.95Å; S84-H94 PolarHBondContact OG-NE2 3.4Å; M89-H94 HydrophobicContact CB-CB 4.07Å; M89-H94 PolarHBondContact O-CD2 3.48Å; M89-H94 HydrophobicContact SD-CB 4.3Å; H90-H94 PolarHBondContact O-CD2 3.44Å; H90-H94 PolarHBondContact O-N 3.39Å; E91-H94 WeakPolarHBondContact CA-NE2 3.39Å; H94-I96 PolarHBondContact CE1-O 3.11Å; H94-I96 PolarHBondContact ND1-N 2.85Å; H94-I96 PolarHBondContact O-N 3.12Å; H94-V126 VanDerWaalsContact O-CG2 3.24Å; H94-V126 WeakPolarHBondContact O-CG2 3.2Å
95G96.6Very high97.8Very high5 Ų521 Ų215%0.05211%0.106CC..SBendtrans83.82.8165.900000116.4E91 R324E91-G95 WeakPolarHBondContact O-CA 3.47Å; E91-G95 PolarHBondContact O-N 2.89Å; G95-R324 WeakPolarHBondContact O-CD 3.49Å; G95-R324 PolarHBondContact O-NH1 3.39Å
96I97.5Very high97.7Very high0 Ų024.1 Ų24.10%012%0.122CC..  trans-95.1100.3168.3-59.6-58.6000105.3P80 L83 H94 F101 F110 W123 F124P80-I96 VanDerWaalsContact CB-O 3.3Å; P80-I96 WeakPolarHBondContact CB-O 3.28Å; P80-I96 HydrophobicContact CG-CG2 4.09Å; L83-I96 HydrophobicContact CD2-CB 4.04Å; L83-I96 HydrophobicContact CD2-CG1 3.44Å; L83-I96 VanDerWaalsContact CD2-CG1 3.44Å; H94-I96 PolarHBondContact CE1-O 3.11Å; H94-I96 PolarHBondContact ND1-N 2.85Å; H94-I96 PolarHBondContact O-N 3.12Å; I96-F101 HydrophobicContact CD1-CE1 4.08Å; I96-F101 HydrophobicContact CD1-CZ 4Å; I96-F101 HydrophobicContact CG2-CE1 4.29Å; I96-F110 HydrophobicContact CD1-CE1 4.41Å; I96-F110 HydrophobicContact CD1-CZ 4.41Å; I96-F110 HydrophobicContact CG2-CE1 4.48Å; I96-W123 HydrophobicContact CD1-CB 4.48Å; I96-F124 HydrophobicContact CD1-CD1 3.92Å; I96-F124 HydrophobicContact CD1-CE1 3.94Å; I96-F124 HydrophobicContact CD1-CG 4.36Å; I96-F124 HydrophobicContact CD1-CZ 4.4Å; I96-F124 HydrophobicContact CG1-CD1 3.89Å; I96-F124 HydrophobicContact CG1-CE1 3.96Å
97V97.6Very high97.6Very high1 Ų130 Ų301%0.00615%0.154CC..  trans-104.7-5-168.5-59.20000113.1I75 F101 Y319 R324 I325I75-V97 WeakPolarHBondContact CD1-O 3.32Å; V97-F101 HydrophobicContact CG2-CB 3.96Å; V97-F101 HydrophobicContact CG2-CD1 4.01Å; V97-F101 HydrophobicContact CG2-CD2 4.34Å; V97-F101 HydrophobicContact CG2-CG 3.84Å; V97-Y319 HydrophobicContact CB-CE2 3.83Å; V97-Y319 HydrophobicContact CG1-CE2 4.46Å; V97-Y319 WeakPolarHBondContact O-CE2 3.43Å; V97-Y319 PolarHBondContact O-OH 2.98Å; V97-R324 HydrophobicContact CG1-CB 4.4Å; V97-R324 HydrophobicContact CG2-CB 3.71Å; V97-I325 HydrophobicContact CB-CG1 4.04Å; V97-I325 HydrophobicContact CG1-CD1 4.27Å; V97-I325 HydrophobicContact CG1-CG1 3.92Å; V97-I325 HydrophobicContact CG2-CG1 4.2Å
98D98Very high97.6Very high4 Ų432.4 Ų32.42%0.02117%0.167CC..SBendtrans-163.4167.7172.6-163.8-20.9000107.5I75 R77 M100 F101I75-D98 HydrophobicContact CD1-CB 3.77Å; I75-D98 VanDerWaalsContact CD1-CG 3.44Å; R77-D98 VanDerWaalsContact CD-OD1 3.28Å; R77-D98 WeakPolarHBondContact CD-OD1 3.13Å; R77-D98 IonicContact CZ-OD1 2.88Å; R77-D98 VanDerWaalsContact CZ-OD1 3.32Å; R77-D98 IonicContact NE-OD1 3.62Å; R77-D98 IonicContact NH1-OD1 3.98Å; R77-D98 PolarHBondContact NH1-OD1 3.33Å; R77-D98 IonicContact NH1-OD2 3.61Å; D98-M100 WeakPolarHBondContact CB-O 3.46Å; D98-M100 PolarHBondContact O-N 2.95Å; D98-F101 HydrophobicContact CB-CB 4.29Å; D98-F101 HydrophobicContact CB-CD1 4.41Å; D98-F101 WeakPolarHBondContact O-CD1 3.42Å
99N97.7Very high97.6Very high19 Ų1933.8 Ų33.810%0.10218%0.175CC..SBendtrans-64.4-25.8165.1-70-3.3000111.6G79 P80 L112G79-N99 WeakPolarHBondContact CA-OD1 3.37Å; G79-N99 PolarHBondContact N-OD1 3.42Å; P80-N99 WeakPolarHBondContact CD-OD1 3.49Å; N99-L112 HydrophobicContact CB-CB 4.15Å; N99-L112 HydrophobicContact CB-CD2 4.33Å; N99-L112 WeakPolarHBondContact O-CB 3.02Å; N99-L112 PolarHBondContact O-N 3.26Å
100M98.1Very high97.6Very high41 Ų4132.9 Ų32.920%0.20217%0.171CC..EExtended strand (participates in β ladder)trans-140.4122.2173.1-74.5179.3-7900110.6D98 F110 D111D98-M100 WeakPolarHBondContact CB-O 3.46Å; D98-M100 PolarHBondContact O-N 2.95Å; M100-F110 VanDerWaalsContact CA-O 3.3Å; M100-F110 WeakPolarHBondContact CA-O 3.3Å; M100-D111 HydrophobicContact CG-CB 3.96Å
101F98.1Very high97.5Very high6 Ų634 Ų343%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-150158.8-179.961.7-96.8000112I96 V97 D98 T109 F110 W123 R324I96-F101 HydrophobicContact CD1-CE1 4.08Å; I96-F101 HydrophobicContact CD1-CZ 4Å; I96-F101 HydrophobicContact CG2-CE1 4.29Å; V97-F101 HydrophobicContact CG2-CB 3.96Å; V97-F101 HydrophobicContact CG2-CD1 4.01Å; V97-F101 HydrophobicContact CG2-CD2 4.34Å; V97-F101 HydrophobicContact CG2-CG 3.84Å; D98-F101 HydrophobicContact CB-CB 4.29Å; D98-F101 HydrophobicContact CB-CD1 4.41Å; D98-F101 WeakPolarHBondContact O-CD1 3.42Å; F101-T109 CarbonylContact O-C 3.49Å; F101-T109 WeakPolarHBondContact O-CA 3.45Å; F101-F110 HydrophobicContact CD1-CB 4.11Å; F101-F110 AromaticContact CD1-CD1 3.77Å; F101-F110 HydrophobicContact CD1-CD1 3.77Å; F101-F110 HydrophobicContact CD1-CG 4.34Å; F101-F110 HydrophobicContact CD2-CB 4.1Å; F101-F110 HydrophobicContact CE1-CB 3.74Å; F101-F110 AromaticContact CE1-CD1 3.21Å; F101-F110 HydrophobicContact CE1-CD1 3.21Å; F101-F110 HydrophobicContact CE1-CE1 4Å; F101-F110 AromaticContact CE1-CG 3.68Å; F101-F110 HydrophobicContact CE1-CG 3.68Å; F101-F110 HydrophobicContact CE2-CB 3.69Å; F101-F110 HydrophobicContact CE2-CG 4.38Å; F101-F110 HydrophobicContact CG-CB 4.28Å; F101-F110 HydrophobicContact CZ-CB 3.51Å; F101-F110 AromaticContact CZ-CD1 3.74Å; F101-F110 HydrophobicContact CZ-CD1 3.74Å; F101-F110 AromaticContact CZ-CG 3.69Å; F101-F110 HydrophobicContact CZ-CG 3.69Å; F101-F110 PolarHBondContact N-O 3Å; F101-F110 PolarHBondContact O-N 3.29Å; F101-W123 AromaticContact CE2-CE3 3.98Å; F101-W123 HydrophobicContact CE2-CE3 3.98Å; F101-W123 AromaticContact CE2-CZ3 3.99Å; F101-W123 HydrophobicContact CE2-CZ3 3.99Å; F101-W123 HydrophobicContact CZ-CE3 4.2Å; F101-R324 HydrophobicContact CD2-CB 3.83Å; F101-R324 HydrophobicContact CD2-CG 3.98Å; F101-R324 HydrophobicContact CE2-CB 4.11Å; F101-R324 HydrophobicContact CE2-CG 3.82Å
102Y98.3Very high97.4Very high41 Ų4135.2 Ų35.216%0.16118%0.184CC..EExtended strand (participates in β ladder)trans-96.8137.3175.5175.9-113.6000110.7P104 N107 D108 Y271 W284Y102-P104 HydrophobicContact CD1-CB 4.46Å; Y102-P104 HydrophobicContact CE1-CB 3.81Å; Y102-N107 PolarHBondContact OH-OD1 3.17Å; Y102-D108 WeakPolarHBondContact CD2-O 3.42Å; Y102-Y271 HydrophobicContact CD2-CD1 4.46Å; Y102-Y271 AromaticContact CD2-CE1 3.83Å; Y102-Y271 HydrophobicContact CD2-CE1 3.83Å; Y102-Y271 HydrophobicContact CG-CD1 4.17Å; Y102-Y271 AromaticContact CG-CE1 3.84Å; Y102-Y271 HydrophobicContact CG-CE1 3.84Å; Y102-W284 AromaticContact CD1-CD2 3.8Å; Y102-W284 HydrophobicContact CD1-CD2 3.8Å; Y102-W284 AromaticContact CD1-CE2 3.72Å; Y102-W284 HydrophobicContact CD1-CE3 4.13Å; Y102-W284 HydrophobicContact CD1-CG 4.27Å; Y102-W284 HydrophobicContact CD1-CH2 4.32Å; Y102-W284 AromaticContact CD1-CZ2 3.99Å; Y102-W284 HydrophobicContact CD1-CZ2 3.99Å; Y102-W284 HydrophobicContact CD1-CZ3 4.38Å; Y102-W284 HydrophobicContact CE1-CD2 4.47Å; Y102-W284 HydrophobicContact CE1-CE3 4.41Å
103D98.2Very high97.2Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-109.4109.2170.5-172.2-32.4000109.7K105 L106 N107 D108 W123 R323 R324D103-K105 PolarHBondContact O-N 3.37Å; D103-K105 WeakPolarHBondContact OD1-CB 3.26Å; D103-K105 PolarHBondContact OD1-N 3.44Å; D103-L106 HydrophobicContact CB-CB 4.08Å; D103-L106 HydrophobicContact CB-CD1 4.14Å; D103-L106 HydrophobicContact CB-CG 4.19Å; D103-L106 PolarHBondContact O-N 3.42Å; D103-L106 VanDerWaalsContact O-N 3.16Å; D103-L106 PolarHBondContact OD1-N 3.49Å; D103-N107 WeakPolarHBondContact O-CA 3.39Å; D103-N107 PolarHBondContact O-N 2.87Å; D103-D108 PolarHBondContact N-O 3.22Å; D103-D108 PolarHBondContact O-N 2.94Å; D103-W123 HydrophobicContact CB-CH2 4.49Å; D103-W123 HydrophobicContact CB-CZ3 3.82Å; D103-R323 IonicContact OD1-CZ 3.54Å; D103-R323 IonicContact OD1-NE 2.68Å; D103-R323 PolarHBondContact OD1-NE 3.46Å; D103-R323 IonicContact OD1-NH2 3.01Å; D103-R323 IonicContact OD2-CZ 3.99Å; D103-R323 IonicContact OD2-NE 2.76Å; D103-R323 PolarHBondContact OD2-NE 2.76Å; D103-R323 IonicContact OD2-NH2 3.34Å; D103-R323 PolarHBondContact OD2-NH2 3.19Å; D103-R324 HydrophobicContact CB-CG 4.08Å; D103-R324 IonicContact OD2-CZ 3.77Å; D103-R324 IonicContact OD2-NE 3.29Å; D103-R324 PolarHBondContact OD2-NE 3.37Å; D103-R324 IonicContact OD2-NH2 3.78Å; D103-R324 PolarHBondContact OD2-NH2 3.45Å
104P97.2Very high97Very high54 Ų5439.4 Ų39.435%0.35121%0.211SC..THydrogen-bonded Turntrans-66.6-22-176.127.8-36.3000113.2Y102 W284 R323Y102-P104 HydrophobicContact CD1-CB 4.46Å; Y102-P104 HydrophobicContact CE1-CB 3.81Å; P104-W284 HydrophobicContact CB-CH2 4.32Å; P104-W284 HydrophobicContact CB-CZ3 4.1Å; P104-W284 HydrophobicContact CG-CH2 3.67Å; P104-W284 HydrophobicContact CG-CZ3 3.85Å; P104-R323 WeakPolarHBondContact CD-O 3.17Å; P104-R323 WeakPolarHBondContact CG-O 3.47Å
105K96.9Very high96.6Very high167 Ų16742.7 Ų42.773%0.72623%0.231SC*.THydrogen-bonded Turntrans-79.3-33.2177-174.2176.1179.2178.20111.7D103D103-K105 PolarHBondContact O-N 3.37Å; D103-K105 WeakPolarHBondContact OD1-CB 3.26Å; D103-K105 PolarHBondContact OD1-N 3.44Å
106L96.9Very high96.4Very high65 Ų6550.8 Ų50.834%0.3426%0.26SS..THydrogen-bonded Turntrans-85.9-16.6175.3-60.5178.7000112.2D103 D108 K122 W123D103-L106 HydrophobicContact CB-CB 4.08Å; D103-L106 HydrophobicContact CB-CD1 4.14Å; D103-L106 HydrophobicContact CB-CG 4.19Å; D103-L106 PolarHBondContact O-N 3.42Å; D103-L106 VanDerWaalsContact O-N 3.16Å; D103-L106 PolarHBondContact OD1-N 3.49Å; L106-D108 HydrophobicContact CB-CB 4.1Å; L106-D108 PolarHBondContact O-N 2.96Å; L106-K122 HydrophobicContact CD1-CB 4.34Å; L106-K122 HydrophobicContact CD1-CD 4.13Å; L106-K122 HydrophobicContact CD1-CG 4.07Å; L106-W123 HydrophobicContact CD1-CE3 3.99Å; L106-W123 HydrophobicContact CD1-CH2 4.03Å; L106-W123 HydrophobicContact CD1-CZ3 3.7Å
107N97Very high96.2Very high123 Ų12352 Ų5266%0.65827%0.266SS*.THydrogen-bonded Turntrans46.947.2-168.3-170.538.1000111.7Y102 D103Y102-N107 PolarHBondContact OH-OD1 3.17Å; D103-N107 WeakPolarHBondContact O-CA 3.39Å; D103-N107 PolarHBondContact O-N 2.87Å
108D97.7Very high95.9Very high53 Ų5353.3 Ų53.328%0.28327%0.273SS..EExtended strand (participates in β ladder)trans-147.3159.1-172.9-164.56.9000109.4Y102 D103 L106 K122 W123Y102-D108 WeakPolarHBondContact CD2-O 3.42Å; D103-D108 PolarHBondContact N-O 3.22Å; D103-D108 PolarHBondContact O-N 2.94Å; L106-D108 HydrophobicContact CB-CB 4.1Å; L106-D108 PolarHBondContact O-N 2.96Å; D108-K122 IonicContact OD2-NZ 3.31Å; D108-K122 PolarHBondContact OD2-NZ 2.98Å; D108-W123 HydrophobicContact CB-CH2 3.81Å; D108-W123 HydrophobicContact CB-CZ2 4.09Å; D108-W123 WeakPolarHBondContact OD2-CZ2 3.3Å
109T98.1Very high95.6Very high29 Ų2955.7 Ų55.718%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-116.3121.9-176.6-70.30000110.1F101 H117 Y271 P273F101-T109 CarbonylContact O-C 3.49Å; F101-T109 WeakPolarHBondContact O-CA 3.45Å; T109-H117 PolarHBondContact O-CE1 3.4Å; T109-Y271 PolarHBondContact OG1-OH 2.75Å; T109-P273 HydrophobicContact CG2-CB 3.38Å; T109-P273 HydrophobicContact CG2-CG 3.8Å
110F98.1Very high95.4Very high0 Ų056.7 Ų56.70%029%0.294CS..EExtended strand (participates in β ladder)trans-74.4147.6171179.5-105.6000110.7I96 M100 F101 L112 H117 W123 F124I96-F110 HydrophobicContact CD1-CE1 4.41Å; I96-F110 HydrophobicContact CD1-CZ 4.41Å; I96-F110 HydrophobicContact CG2-CE1 4.48Å; M100-F110 VanDerWaalsContact CA-O 3.3Å; M100-F110 WeakPolarHBondContact CA-O 3.3Å; F101-F110 HydrophobicContact CD1-CB 4.11Å; F101-F110 AromaticContact CD1-CD1 3.77Å; F101-F110 HydrophobicContact CD1-CD1 3.77Å; F101-F110 HydrophobicContact CD1-CG 4.34Å; F101-F110 HydrophobicContact CD2-CB 4.1Å; F101-F110 HydrophobicContact CE1-CB 3.74Å; F101-F110 AromaticContact CE1-CD1 3.21Å; F101-F110 HydrophobicContact CE1-CD1 3.21Å; F101-F110 HydrophobicContact CE1-CE1 4Å; F101-F110 AromaticContact CE1-CG 3.68Å; F101-F110 HydrophobicContact CE1-CG 3.68Å; F101-F110 HydrophobicContact CE2-CB 3.69Å; F101-F110 HydrophobicContact CE2-CG 4.38Å; F101-F110 HydrophobicContact CG-CB 4.28Å; F101-F110 HydrophobicContact CZ-CB 3.51Å; F101-F110 AromaticContact CZ-CD1 3.74Å; F101-F110 HydrophobicContact CZ-CD1 3.74Å; F101-F110 AromaticContact CZ-CG 3.69Å; F101-F110 HydrophobicContact CZ-CG 3.69Å; F101-F110 PolarHBondContact N-O 3Å; F101-F110 PolarHBondContact O-N 3.29Å; F110-L112 HydrophobicContact CE1-CB 4.03Å; F110-L112 HydrophobicContact CE1-CD1 4.19Å; F110-L112 HydrophobicContact CZ-CB 4.29Å; F110-L112 HydrophobicContact CZ-CD1 3.97Å; F110-H117 HydrophobicContact CD2-CB 3.8Å; F110-H117 HydrophobicContact CE2-CB 3.81Å; F110-W123 HydrophobicContact CB-CD2 3.93Å; F110-W123 HydrophobicContact CB-CE3 3.7Å; F110-W123 HydrophobicContact CB-CH2 4.07Å; F110-W123 HydrophobicContact CB-CZ2 4.28Å; F110-W123 HydrophobicContact CB-CZ3 3.78Å; F110-W123 HydrophobicContact CD2-CB 3.78Å; F110-W123 AromaticContact CD2-CD1 3.71Å; F110-W123 AromaticContact CD2-CD2 3.66Å; F110-W123 HydrophobicContact CD2-CD2 3.66Å; F110-W123 HydrophobicContact CD2-CE3 4.2Å; F110-W123 AromaticContact CD2-CG 3.45Å; F110-W123 HydrophobicContact CD2-CG 3.45Å; F110-W123 VanDerWaalsContact CD2-CG 3.45Å; F110-W123 HydrophobicContact CE2-CB 3.99Å; F110-W123 HydrophobicContact CE2-CG 4.02Å; F110-W123 HydrophobicContact CG-CD2 4.19Å; F110-W123 HydrophobicContact CG-CE3 4.3Å; F110-W123 HydrophobicContact CG-CG 4.36Å; F110-F124 AromaticContact CE2-CE2 3.81Å; F110-F124 HydrophobicContact CE2-CE2 3.81Å; F110-F124 AromaticContact CE2-CZ 3.95Å; F110-F124 HydrophobicContact CE2-CZ 3.95Å; F110-F124 HydrophobicContact CZ-CE2 4.05Å; F110-F124 AromaticContact CZ-CZ 3.68Å; F110-F124 HydrophobicContact CZ-CZ 3.68Å
111D97.3Very high95.3Very high39 Ų3956.6 Ų56.621%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-148.8118.1173.7179.2-7.6000108.1M100 S113 N114 H117M100-D111 HydrophobicContact CG-CB 3.96Å; D111-S113 PolarHBondContact O-N 3.4Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.13Å; D111-S113 PolarHBondContact OD1-OG 3.1Å; D111-S113 PolarHBondContact OD2-OG 3.45Å; D111-S113 VanDerWaalsContact OD2-OG 3.11Å; D111-N114 HydrophobicContact CB-CB 4.02Å; D111-N114 WeakPolarHBondContact O-CB 3.35Å; D111-N114 PolarHBondContact O-N 3.36Å; D111-N114 VanDerWaalsContact O-N 3.1Å; D111-H117 PolarHBondContact N-ND1 3.07Å; D111-H117 VanDerWaalsContact N-ND1 3.1Å
112L95.1Very high95.1Very high25 Ų2560.1 Ų60.113%0.13131%0.312CS..THydrogen-bonded Turntrans-63.4-28.7-179-169.774.4000112.2T78 N99 F110 N114 L118 P148T78-L112 HydrophobicContact CG2-CD2 4.5Å; N99-L112 HydrophobicContact CB-CB 4.15Å; N99-L112 HydrophobicContact CB-CD2 4.33Å; N99-L112 WeakPolarHBondContact O-CB 3.02Å; N99-L112 PolarHBondContact O-N 3.26Å; F110-L112 HydrophobicContact CE1-CB 4.03Å; F110-L112 HydrophobicContact CE1-CD1 4.19Å; F110-L112 HydrophobicContact CZ-CB 4.29Å; F110-L112 HydrophobicContact CZ-CD1 3.97Å; L112-N114 PolarHBondContact O-N 2.78Å; L112-L118 HydrophobicContact CD1-CD2 3.69Å; L112-L118 HydrophobicContact CG-CD2 4.37Å; L112-L118 WeakPolarHBondContact O-CD1 3.43Å; L112-L118 WeakPolarHBondContact O-CG 3.33Å; L112-P148 HydrophobicContact CD1-CB 4.42Å
113S92.5Very high95Very high96 Ų9658.1 Ų58.167%0.67131%0.305SS*.THydrogen-bonded Turntrans-75.5-14.2177.574.20000112.7D111 T115D111-S113 PolarHBondContact O-N 3.4Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.13Å; D111-S113 PolarHBondContact OD1-OG 3.1Å; D111-S113 PolarHBondContact OD2-OG 3.45Å; D111-S113 VanDerWaalsContact OD2-OG 3.11Å; S113-T115 PolarHBondContact O-N 3.01Å
114N93Very high94.9Very high59 Ų5958.3 Ų58.332%0.31631%0.305SS..  trans-88.4107.9-178-171.7-35.4000111.2D111 L112 R116 H117 L118D111-N114 HydrophobicContact CB-CB 4.02Å; D111-N114 WeakPolarHBondContact O-CB 3.35Å; D111-N114 PolarHBondContact O-N 3.36Å; D111-N114 VanDerWaalsContact O-N 3.1Å; L112-N114 PolarHBondContact O-N 2.78Å; N114-R116 PolarHBondContact O-N 2.91Å; N114-R116 VanDerWaalsContact O-N 3.09Å; N114-R116 VanDerWaalsContact OD1-CB 3.27Å; N114-R116 WeakPolarHBondContact OD1-CB 3.45Å; N114-R116 PolarHBondContact OD1-N 3.03Å; N114-H117 HydrophobicContact CB-CB 4.17Å; N114-H117 WeakPolarHBondContact O-CA 3.31Å; N114-H117 WeakPolarHBondContact O-CB 3.41Å; N114-H117 PolarHBondContact O-N 3.1Å; N114-H117 PolarHBondContact OD1-N 3.31Å; N114-L118 PolarHBondContact O-N 2.75Å
115T89.5Confident94.7Very high69 Ų6958.3 Ų58.342%0.42330%0.302SS..THydrogen-bonded Turntrans-53-33.2178.9-51.10000113.7S113 L118 S119 Q165S113-T115 PolarHBondContact O-N 3.01Å; T115-L118 PolarHBondContact O-N 3.28Å; T115-S119 PolarHBondContact O-N 3.43Å; T115-S119 PolarHBondContact O-OG 2.85Å; T115-Q165 HydrophobicContact CG2-CG 4.47Å
116R92.1Very high94.4Very high176 Ų17652.9 Ų52.966%0.66428%0.283SS*.THydrogen-bonded Turntrans-67.4-41.7175.8-178.1-180174.4158.1-1.3111N114 L118 S119 Q120N114-R116 PolarHBondContact O-N 2.91Å; N114-R116 VanDerWaalsContact O-N 3.09Å; N114-R116 VanDerWaalsContact OD1-CB 3.27Å; N114-R116 WeakPolarHBondContact OD1-CB 3.45Å; N114-R116 PolarHBondContact OD1-N 3.03Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-S119 PolarHBondContact O-N 3.48Å; R116-S119 PolarHBondContact O-OG 2.85Å; R116-Q120 VanDerWaalsContact O-CG 3.27Å; R116-Q120 WeakPolarHBondContact O-CG 3.23Å
117H93.5Very high93.8Very high24 Ų2452.2 Ų52.211%0.11129%0.292CS..G310 helixtrans-67.1-38177.7-60.7171.9000111.2T109 F110 D111 N114 S119 Q120T109-H117 PolarHBondContact O-CE1 3.4Å; F110-H117 HydrophobicContact CD2-CB 3.8Å; F110-H117 HydrophobicContact CE2-CB 3.81Å; D111-H117 PolarHBondContact N-ND1 3.07Å; D111-H117 VanDerWaalsContact N-ND1 3.1Å; N114-H117 HydrophobicContact CB-CB 4.17Å; N114-H117 WeakPolarHBondContact O-CA 3.31Å; N114-H117 WeakPolarHBondContact O-CB 3.41Å; N114-H117 PolarHBondContact O-N 3.1Å; N114-H117 PolarHBondContact OD1-N 3.31Å; H117-S119 PolarHBondContact O-N 2.87Å; H117-S119 VanDerWaalsContact O-N 3.09Å; H117-Q120 PolarHBondContact O-N 3.11Å; H117-Q120 VanDerWaalsContact O-N 3.15Å
118L91.3Very high93.5Very high29 Ų2946.3 Ų46.315%0.15226%0.26CS..G310 helixtrans-63.6-9.1176.1-70.6-178.2000115.8L112 N114 T115 R116 F124 N151 T152L112-L118 HydrophobicContact CD1-CD2 3.69Å; L112-L118 HydrophobicContact CG-CD2 4.37Å; L112-L118 WeakPolarHBondContact O-CD1 3.43Å; L112-L118 WeakPolarHBondContact O-CG 3.33Å; N114-L118 PolarHBondContact O-N 2.75Å; T115-L118 PolarHBondContact O-N 3.28Å; R116-L118 VanDerWaalsContact C-N 3.34Å; L118-F124 HydrophobicContact CD2-CE2 4.29Å; L118-F124 HydrophobicContact CD2-CZ 3.86Å; L118-N151 CarbonylContact O-C 3.59Å; L118-T152 PolarHBondContact O-N 3.27Å; L118-T152 PolarHBondContact O-OG1 3.13Å
119S91.5Very high93.5Very high54 Ų5444.6 Ų44.638%0.37825%0.25SS..G310 helixtrans-111.72.7177.651.10000113.6T115 R116 H117 N151 T152T115-S119 PolarHBondContact O-N 3.43Å; T115-S119 PolarHBondContact O-OG 2.85Å; R116-S119 PolarHBondContact O-N 3.48Å; R116-S119 PolarHBondContact O-OG 2.85Å; H117-S119 PolarHBondContact O-N 2.87Å; H117-S119 VanDerWaalsContact O-N 3.09Å; S119-N151 WeakPolarHBondContact CA-O 3.49Å; S119-T152 WeakPolarHBondContact CA-OG1 3.16Å; S119-T152 PolarHBondContact N-OG1 3.4Å
120Q93.8Very high93.5Very high40 Ų4043.2 Ų43.219%0.18724%0.242CC..  trans-104.2112.3-174.5-74.7172.4-18.600111.9R116 H117 K122 W123 T152R116-Q120 VanDerWaalsContact O-CG 3.27Å; R116-Q120 WeakPolarHBondContact O-CG 3.23Å; H117-Q120 PolarHBondContact O-N 3.11Å; H117-Q120 VanDerWaalsContact O-N 3.15Å; Q120-K122 HydrophobicContact CB-CG 4.24Å; Q120-K122 PolarHBondContact O-N 3.28Å; Q120-W123 PolarHBondContact O-N 2.66Å; Q120-W123 VanDerWaalsContact O-N 3.09Å; Q120-T152 PolarHBondContact N-OG1 3.42Å
121S94.7Very high93.5Very high39 Ų3943.2 Ų43.227%0.27324%0.242SC..Hα-helixtrans-56.3-25.1177.1-57.70000114.5W123 F124 D125 T152 P153S121-W123 PolarHBondContact O-N 3.47Å; S121-F124 PolarHBondContact O-N 2.89Å; S121-D125 WeakPolarHBondContact O-CA 3.41Å; S121-D125 WeakPolarHBondContact O-CB 3.47Å; S121-D125 PolarHBondContact O-N 3.22Å; S121-T152 VanDerWaalsContact CA-CG2 3.46Å; S121-P153 WeakPolarHBondContact OG-CG 3.42Å; S121-P153 PolarHBondContact OG-O 2.77Å
122K95.4Very high93.6Very high80 Ų8041.3 Ų41.335%0.34823%0.232SC..Hα-helixtrans-56.6-26.4176.978.1-175.3-172.41700113.3L106 D108 Q120 R324L106-K122 HydrophobicContact CD1-CB 4.34Å; L106-K122 HydrophobicContact CD1-CD 4.13Å; L106-K122 HydrophobicContact CD1-CG 4.07Å; D108-K122 IonicContact OD2-NZ 3.31Å; D108-K122 PolarHBondContact OD2-NZ 2.98Å; Q120-K122 HydrophobicContact CB-CG 4.24Å; Q120-K122 PolarHBondContact O-N 3.28Å; K122-R324 PolarHBondContact O-NH2 3.27Å
123W96.3Very high93.7Very high0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-87-46.7178.6-58.9121.2000112I96 F101 D103 L106 D108 F110 Q120 S121 R324I96-W123 HydrophobicContact CD1-CB 4.48Å; F101-W123 AromaticContact CE2-CE3 3.98Å; F101-W123 HydrophobicContact CE2-CE3 3.98Å; F101-W123 AromaticContact CE2-CZ3 3.99Å; F101-W123 HydrophobicContact CE2-CZ3 3.99Å; F101-W123 HydrophobicContact CZ-CE3 4.2Å; D103-W123 HydrophobicContact CB-CH2 4.49Å; D103-W123 HydrophobicContact CB-CZ3 3.82Å; L106-W123 HydrophobicContact CD1-CE3 3.99Å; L106-W123 HydrophobicContact CD1-CH2 4.03Å; L106-W123 HydrophobicContact CD1-CZ3 3.7Å; D108-W123 HydrophobicContact CB-CH2 3.81Å; D108-W123 HydrophobicContact CB-CZ2 4.09Å; D108-W123 WeakPolarHBondContact OD2-CZ2 3.3Å; F110-W123 HydrophobicContact CB-CD2 3.93Å; F110-W123 HydrophobicContact CB-CE3 3.7Å; F110-W123 HydrophobicContact CB-CH2 4.07Å; F110-W123 HydrophobicContact CB-CZ2 4.28Å; F110-W123 HydrophobicContact CB-CZ3 3.78Å; F110-W123 HydrophobicContact CD2-CB 3.78Å; F110-W123 AromaticContact CD2-CD1 3.71Å; F110-W123 AromaticContact CD2-CD2 3.66Å; F110-W123 HydrophobicContact CD2-CD2 3.66Å; F110-W123 HydrophobicContact CD2-CE3 4.2Å; F110-W123 AromaticContact CD2-CG 3.45Å; F110-W123 HydrophobicContact CD2-CG 3.45Å; F110-W123 VanDerWaalsContact CD2-CG 3.45Å; F110-W123 HydrophobicContact CE2-CB 3.99Å; F110-W123 HydrophobicContact CE2-CG 4.02Å; F110-W123 HydrophobicContact CG-CD2 4.19Å; F110-W123 HydrophobicContact CG-CE3 4.3Å; F110-W123 HydrophobicContact CG-CG 4.36Å; Q120-W123 PolarHBondContact O-N 2.66Å; Q120-W123 VanDerWaalsContact O-N 3.09Å; S121-W123 PolarHBondContact O-N 3.47Å; W123-R324 PolarHBondContact O-NH1 3.14Å; W123-R324 PolarHBondContact O-NH2 3.4Å
124F95Very high94Very high3 Ų335.6 Ų35.61%0.01319%0.194CC..Hα-helixtrans-96.8-39.2-169.9-67.3-87.2000114.4L83 I96 F110 L118 S121 V126 S128 T152 F154L83-F124 HydrophobicContact CD2-CD1 4.1Å; I96-F124 HydrophobicContact CD1-CD1 3.92Å; I96-F124 HydrophobicContact CD1-CE1 3.94Å; I96-F124 HydrophobicContact CD1-CG 4.36Å; I96-F124 HydrophobicContact CD1-CZ 4.4Å; I96-F124 HydrophobicContact CG1-CD1 3.89Å; I96-F124 HydrophobicContact CG1-CE1 3.96Å; F110-F124 AromaticContact CE2-CE2 3.81Å; F110-F124 HydrophobicContact CE2-CE2 3.81Å; F110-F124 AromaticContact CE2-CZ 3.95Å; F110-F124 HydrophobicContact CE2-CZ 3.95Å; F110-F124 HydrophobicContact CZ-CE2 4.05Å; F110-F124 AromaticContact CZ-CZ 3.68Å; F110-F124 HydrophobicContact CZ-CZ 3.68Å; L118-F124 HydrophobicContact CD2-CE2 4.29Å; L118-F124 HydrophobicContact CD2-CZ 3.86Å; S121-F124 PolarHBondContact O-N 2.89Å; F124-V126 PolarHBondContact O-N 2.79Å; F124-S128 PolarHBondContact O-OG 3.37Å; F124-T152 HydrophobicContact CB-CG2 3.84Å; F124-T152 HydrophobicContact CD2-CG2 3.93Å; F124-T152 WeakPolarHBondContact CD2-OG1 3.34Å; F124-T152 HydrophobicContact CG-CG2 4.21Å; F124-F154 HydrophobicContact CB-CD1 4.43Å; F124-F154 HydrophobicContact CB-CE1 3.65Å; F124-F154 HydrophobicContact CB-CE2 4.07Å; F124-F154 HydrophobicContact CB-CZ 3.46Å; F124-F154 VanDerWaalsContact CB-CZ 3.46Å; F124-F154 AromaticContact CD1-CZ 3.91Å; F124-F154 HydrophobicContact CD1-CZ 3.91Å; F124-F154 HydrophobicContact CG-CZ 4.01Å; F124-F154 WeakPolarHBondContact O-CE1 3.4Å
125D92.4Very high94.3Very high54 Ų5432.8 Ų32.829%0.28918%0.179SC..THydrogen-bonded Turntrans-86.359.6-174.1-164.319.7000111.3S121 K155S121-D125 WeakPolarHBondContact O-CA 3.41Å; S121-D125 WeakPolarHBondContact O-CB 3.47Å; S121-D125 PolarHBondContact O-N 3.22Å; D125-K155 PolarHBondContact OD1-N 3.48Å; D125-K155 VanDerWaalsContact OD1-N 3.16Å; D125-K155 PolarHBondContact OD2-N 2.96Å
126V91.6Very high94.7Very high54 Ų5430.9 Ų30.933%0.32717%0.165SC..THydrogen-bonded Turntrans-111.220.6-177.9-63.50000113.5H94 F124H94-V126 VanDerWaalsContact O-CG2 3.24Å; H94-V126 WeakPolarHBondContact O-CG2 3.2Å; F124-V126 PolarHBondContact O-N 2.79Å
127G83.5Confident94.9Very high50 Ų5027.6 Ų27.652%0.51515%0.153SC..THydrogen-bonded Turntrans134.1-12.9179.800000114.1
128S91.6Very high95Very high0 Ų028.7 Ų28.70%016%0.158CC..  trans-85.3149.2-178.954.20000113.2F124 F154F124-S128 PolarHBondContact O-OG 3.37Å; S128-F154 WeakPolarHBondContact OG-CE1 3.35Å
129E97.1Very high95.3Very high16 Ų1630.5 Ų30.58%0.07518%0.184CC..  trans-129.8107.4168.8-174.3177.6114.100108.2V133 T134 R137 K155 A407E129-V133 HydrophobicContact CG-CB 3.84Å; E129-V133 HydrophobicContact CG-CG1 3.75Å; E129-T134 WeakPolarHBondContact OE1-CA 3.31Å; E129-T134 WeakPolarHBondContact OE1-CB 3.37Å; E129-T134 PolarHBondContact OE1-OG1 3.16Å; E129-R137 IonicContact OE1-CZ 3.68Å; E129-R137 IonicContact OE1-NE 3.35Å; E129-R137 PolarHBondContact OE1-NE 2.88Å; E129-R137 IonicContact OE1-NH2 3.73Å; E129-R137 PolarHBondContact OE1-NH2 3.09Å; E129-R137 IonicContact OE2-NE 3.27Å; E129-K155 HydrophobicContact CB-CD 4.45Å; E129-K155 HydrophobicContact CG-CD 4.29Å; E129-K155 WeakPolarHBondContact OE2-CD 3.47Å; E129-K155 WeakPolarHBondContact OE2-CE 3.14Å; E129-A407 HydrophobicContact CB-CB 3.52Å; E129-A407 HydrophobicContact CG-CB 4.05Å
130P98.3Very high95.6Very high0 Ų029.9 Ų29.90%018%0.175CC..  trans-74.3155.1178.830.4-35.6000111.2V86 T87 W132 V133 T134 F154V86-P130 HydrophobicContact CB-CB 4.43Å; V86-P130 HydrophobicContact CG2-CB 3.97Å; V86-P130 CarbonylContact O-C 3.32Å; V86-P130 VanDerWaalsContact O-CA 3.28Å; V86-P130 WeakPolarHBondContact O-CA 3.49Å; T87-P130 HydrophobicContact CG2-CB 4.2Å; P130-W132 HydrophobicContact CB-CD2 3.68Å; P130-W132 HydrophobicContact CB-CE3 3.71Å; P130-W132 HydrophobicContact CB-CH2 3.45Å; P130-W132 VanDerWaalsContact CB-CH2 3.45Å; P130-W132 HydrophobicContact CB-CZ2 3.4Å; P130-W132 VanDerWaalsContact CB-CZ2 3.4Å; P130-W132 HydrophobicContact CB-CZ3 3.61Å; P130-W132 HydrophobicContact CG-CD2 3.76Å; P130-W132 HydrophobicContact CG-CE3 4.3Å; P130-W132 HydrophobicContact CG-CG 4.36Å; P130-W132 HydrophobicContact CG-CH2 3.86Å; P130-W132 HydrophobicContact CG-CZ2 3.23Å; P130-W132 HydrophobicContact CG-CZ3 4.36Å; P130-W132 PolarHBondContact O-N 3.24Å; P130-V133 HydrophobicContact CG-CG2 4.07Å; P130-V133 WeakPolarHBondContact O-CB 3.42Å; P130-V133 PolarHBondContact O-N 3.17Å; P130-T134 PolarHBondContact O-N 3.26Å; P130-F154 VanDerWaalsContact CD-CD1 3.47Å; P130-F154 HydrophobicContact CG-CB 4.14Å; P130-F154 HydrophobicContact CG-CD1 4Å; P130-F154 HydrophobicContact CG-CD2 3.75Å; P130-F154 HydrophobicContact CG-CE1 4.22Å; P130-F154 HydrophobicContact CG-CE2 4.02Å; P130-F154 HydrophobicContact CG-CG 3.72Å; P130-F154 HydrophobicContact CG-CZ 4.21Å
131I98.7Very high95.8Very high0 Ų031.6 Ų31.60%018%0.182CC..Hα-helixtrans-52.9-30.8-174.2-171.463000113.8V86 V133 T134 N135 L190 L192 Y394 M397 C398 L401 L403V86-I131 HydrophobicContact CB-CG2 4.04Å; V86-I131 HydrophobicContact CG1-CG2 4.24Å; V86-I131 PolarHBondContact O-N 3.27Å; I131-V133 PolarHBondContact O-N 3.11Å; I131-T134 PolarHBondContact O-N 3.17Å; I131-N135 WeakPolarHBondContact O-CB 3.49Å; I131-N135 PolarHBondContact O-N 2.86Å; I131-L190 HydrophobicContact CG1-CD2 4.17Å; I131-L190 HydrophobicContact CG2-CD2 3.88Å; I131-L192 HydrophobicContact CG2-CD1 3.98Å; I131-Y394 HydrophobicContact CB-CD2 4.09Å; I131-Y394 HydrophobicContact CB-CE2 3.99Å; I131-Y394 HydrophobicContact CD1-CD2 4.19Å; I131-Y394 HydrophobicContact CD1-CE2 3.86Å; I131-M397 HydrophobicContact CB-CE 4.1Å; I131-M397 HydrophobicContact CD1-CB 4.16Å; I131-M397 HydrophobicContact CG1-CB 4.14Å; I131-M397 HydrophobicContact CG1-CE 4.25Å; I131-M397 HydrophobicContact CG1-SD 4.39Å; I131-M397 HydrophobicContact CG2-CE 3.93Å; I131-M397 HydrophobicContact CG2-SD 4.28Å; I131-C398 WeakPolarHBondContact CD1-SG 3.44Å; I131-L401 HydrophobicContact CG1-CD1 4.46Å; I131-L403 HydrophobicContact CD1-CD1 3.67Å
132W98.4Very high96Very high0 Ų029.8 Ų29.80%017%0.169CC..Hα-helixtrans-68.1-32.7176.857.885000113.4V86 P130 Q136 S142 V144 W147 F154 P159 L190 L192V86-W132 HydrophobicContact CB-CZ3 3.95Å; V86-W132 HydrophobicContact CG1-CZ3 4.12Å; V86-W132 HydrophobicContact CG2-CH2 3.97Å; V86-W132 HydrophobicContact CG2-CZ3 3.67Å; P130-W132 HydrophobicContact CB-CD2 3.68Å; P130-W132 HydrophobicContact CB-CE3 3.71Å; P130-W132 HydrophobicContact CB-CH2 3.45Å; P130-W132 VanDerWaalsContact CB-CH2 3.45Å; P130-W132 HydrophobicContact CB-CZ2 3.4Å; P130-W132 VanDerWaalsContact CB-CZ2 3.4Å; P130-W132 HydrophobicContact CB-CZ3 3.61Å; P130-W132 HydrophobicContact CG-CD2 3.76Å; P130-W132 HydrophobicContact CG-CE3 4.3Å; P130-W132 HydrophobicContact CG-CG 4.36Å; P130-W132 HydrophobicContact CG-CH2 3.86Å; P130-W132 HydrophobicContact CG-CZ2 3.23Å; P130-W132 HydrophobicContact CG-CZ3 4.36Å; P130-W132 PolarHBondContact O-N 3.24Å; W132-Q136 WeakPolarHBondContact O-CB 3.21Å; W132-Q136 VanDerWaalsContact O-CG 3.26Å; W132-Q136 WeakPolarHBondContact O-CG 3.04Å; W132-Q136 PolarHBondContact O-N 3.48Å; W132-Q136 VanDerWaalsContact O-N 3.1Å; W132-S142 WeakPolarHBondContact CA-OG 3.42Å; W132-S142 PolarHBondContact O-OG 3.05Å; W132-V144 HydrophobicContact CB-CG2 4.02Å; W132-V144 HydrophobicContact CD2-CG2 4.32Å; W132-V144 HydrophobicContact CE3-CG2 4.27Å; W132-V144 HydrophobicContact CG-CG2 4.27Å; W132-W147 HydrophobicContact CZ3-CG 4.48Å; W132-F154 HydrophobicContact CZ2-CD2 4.11Å; W132-F154 AromaticContact CZ2-CE2 3.74Å; W132-F154 HydrophobicContact CZ2-CE2 3.74Å; W132-F154 HydrophobicContact CZ2-CZ 4.41Å; W132-P159 HydrophobicContact CB-CB 4.44Å; W132-P159 HydrophobicContact CD2-CG 4.3Å; W132-P159 HydrophobicContact CG-CB 4.27Å; W132-P159 HydrophobicContact CG-CG 3.99Å; W132-L190 HydrophobicContact CB-CD2 4.18Å; W132-L192 HydrophobicContact CE3-CD1 3.53Å; W132-L192 HydrophobicContact CZ3-CD1 3.88Å
133V98.2Very high96.2Very high1 Ų126 Ų261%0.00615%0.153CC..Hα-helixtrans-73.5-43.5172.7176.60000109.9E129 P130 I131 N135 Q136 R137 F154 Q157E129-V133 HydrophobicContact CG-CB 3.84Å; E129-V133 HydrophobicContact CG-CG1 3.75Å; P130-V133 HydrophobicContact CG-CG2 4.07Å; P130-V133 WeakPolarHBondContact O-CB 3.42Å; P130-V133 PolarHBondContact O-N 3.17Å; I131-V133 PolarHBondContact O-N 3.11Å; V133-N135 VanDerWaalsContact C-N 3.32Å; V133-N135 PolarHBondContact O-N 3.03Å; V133-Q136 PolarHBondContact O-N 3.14Å; V133-R137 WeakPolarHBondContact O-CB 3.49Å; V133-R137 PolarHBondContact O-N 3.4Å; V133-F154 HydrophobicContact CG2-CB 4Å; V133-Q157 HydrophobicContact CG2-CB 4.25Å
134T98.3Very high96.3Very high0 Ų026 Ų260%015%0.153CC..Hα-helixtrans-57.7-45.3174.5-53.60000111.1E129 P130 I131 Q136 R137 H138 Y394 L403E129-T134 WeakPolarHBondContact OE1-CA 3.31Å; E129-T134 WeakPolarHBondContact OE1-CB 3.37Å; E129-T134 PolarHBondContact OE1-OG1 3.16Å; P130-T134 PolarHBondContact O-N 3.26Å; I131-T134 PolarHBondContact O-N 3.17Å; T134-Q136 PolarHBondContact O-N 3.03Å; T134-R137 PolarHBondContact O-N 2.75Å; T134-H138 PolarHBondContact O-N 3.24Å; T134-H138 PolarHBondContact O-ND1 3.07Å; T134-Y394 PolarHBondContact OG1-OH 2.73Å; T134-L403 HydrophobicContact CG2-CB 4.48Å; T134-L403 HydrophobicContact CG2-CD1 3.98Å
135N98.5Very high96.4Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-61.6-42.7177-172.752.2000112I131 V133 H138 H140 K141 S142 T189 L190 L403I131-N135 WeakPolarHBondContact O-CB 3.49Å; I131-N135 PolarHBondContact O-N 2.86Å; V133-N135 VanDerWaalsContact C-N 3.32Å; V133-N135 PolarHBondContact O-N 3.03Å; N135-H138 PolarHBondContact O-N 3.37Å; N135-H140 PolarHBondContact O-N 3.21Å; N135-H140 WeakPolarHBondContact OD1-CB 3.16Å; N135-H140 PolarHBondContact OD1-CD2 2.94Å; N135-K141 PolarHBondContact ND2-O 3.07Å; N135-S142 PolarHBondContact ND2-OG 2.79Å; N135-T189 PolarHBondContact ND2-OG1 3.32Å; N135-T189 PolarHBondContact OD1-OG1 3.37Å; N135-L190 HydrophobicContact CB-CD2 4.35Å; N135-L403 HydrophobicContact CB-CD1 4.21Å
136Q98.4Very high96.6Very high28 Ų2824.2 Ų24.213%0.13114%0.143CC..Hα-helixtrans-67.4-35.1177-78.7167.9-167.600113.5W132 V133 T134 H138 G139 H140 L158 S160W132-Q136 WeakPolarHBondContact O-CB 3.21Å; W132-Q136 VanDerWaalsContact O-CG 3.26Å; W132-Q136 WeakPolarHBondContact O-CG 3.04Å; W132-Q136 PolarHBondContact O-N 3.48Å; W132-Q136 VanDerWaalsContact O-N 3.1Å; V133-Q136 PolarHBondContact O-N 3.14Å; T134-Q136 PolarHBondContact O-N 3.03Å; Q136-H138 PolarHBondContact O-N 3.26Å; Q136-G139 PolarHBondContact O-N 2.78Å; Q136-H140 WeakPolarHBondContact CA-O 3.3Å; Q136-H140 WeakPolarHBondContact CG-O 3.36Å; Q136-L158 PolarHBondContact NE2-O 3.29Å; Q136-L158 PolarHBondContact OE1-O 3.23Å; Q136-S160 PolarHBondContact OE1-OG 2.97Å
137R96.8Very high96.9Very high108 Ų10821.8 Ų21.841%0.40813%0.128SC..Hα-helixtrans-63.9-23.2173.4-178.5164.654.378.3-2.3112.8E129 V133 T134 G139 K405E129-R137 IonicContact OE1-CZ 3.68Å; E129-R137 IonicContact OE1-NE 3.35Å; E129-R137 PolarHBondContact OE1-NE 2.88Å; E129-R137 IonicContact OE1-NH2 3.73Å; E129-R137 PolarHBondContact OE1-NH2 3.09Å; E129-R137 IonicContact OE2-NE 3.27Å; V133-R137 WeakPolarHBondContact O-CB 3.49Å; V133-R137 PolarHBondContact O-N 3.4Å; T134-R137 PolarHBondContact O-N 2.75Å; R137-G139 VanDerWaalsContact C-N 3.3Å; R137-K405 PolarHBondContact NH1-O 3.27Å; R137-K405 PolarHBondContact NH2-O 2.92Å
138H96.3Very high97.4Very high46 Ų4620.1 Ų20.121%0.21311%0.108CC..THydrogen-bonded Turntrans-88.78172.5-67.274.1000113.2T134 N135 Q136 L403 N404 K405T134-H138 PolarHBondContact O-N 3.24Å; T134-H138 PolarHBondContact O-ND1 3.07Å; N135-H138 PolarHBondContact O-N 3.37Å; Q136-H138 PolarHBondContact O-N 3.26Å; H138-L403 HydrophobicContact CB-CD2 3.75Å; H138-N404 PolarHBondContact NE2-N 2.99Å; H138-N404 PolarHBondContact NE2-OD1 2.84Å; H138-K405 PolarHBondContact CE1-O 3.35Å; H138-K405 PolarHBondContact NE2-N 3.11Å; H138-K405 VanDerWaalsContact NE2-N 3.13Å
139G96.3Very high97.5Very high68 Ų6820.2 Ų20.270%0.70111%0.109SC*.THydrogen-bonded Turntrans88.65.9175.500000114.9Q136 R137Q136-G139 PolarHBondContact O-N 2.78Å; R137-G139 VanDerWaalsContact C-N 3.3Å
140H97.8Very high97.4Very high41 Ų4119.7 Ų19.719%0.1911%0.107CC..  trans-94.8179176.9-54.1-55.5000112.3Q28 N135 Q136 T189Q28-H140 VanDerWaalsContact CD-CE1 3.49Å; Q28-H140 PolarHBondContact OE1-CE1 3.21Å; Q28-H140 PolarHBondContact OE1-NE2 3.44Å; N135-H140 PolarHBondContact O-N 3.21Å; N135-H140 WeakPolarHBondContact OD1-CB 3.16Å; N135-H140 PolarHBondContact OD1-CD2 2.94Å; Q136-H140 WeakPolarHBondContact CA-O 3.3Å; Q136-H140 WeakPolarHBondContact CG-O 3.36Å; H140-T189 HydrophobicContact CB-CG2 3.97Å; H140-T189 VanDerWaalsContact CB-OG1 3.26Å; H140-T189 WeakPolarHBondContact CB-OG1 3.27Å
141K98.6Very high97.2Very high76 Ų7621 Ų2133%0.3311%0.114SC..EExtended strand (participates in β ladder)trans-123.8150.7175.9-61-166.1-175.9-164.20111.1N135 S160 Y161 R187 V188 T189N135-K141 PolarHBondContact ND2-O 3.07Å; K141-S160 WeakPolarHBondContact CB-OG 3.23Å; K141-Y161 HydrophobicContact CD-CE2 4.48Å; K141-R187 WeakPolarHBondContact CB-O 3.43Å; K141-R187 HydrophobicContact CD-CB 4.41Å; K141-R187 HydrophobicContact CD-CG 4Å; K141-R187 HydrophobicContact CG-CB 4.43Å; K141-R187 HydrophobicContact CG-CG 4.44Å; K141-R187 PolarHBondContact N-O 3.13Å; K141-V188 HydrophobicContact CB-CG2 4.08Å; K141-V188 WeakPolarHBondContact O-CA 3.39Å; K141-T189 PolarHBondContact O-N 2.65Å; K141-T189 VanDerWaalsContact O-N 3.07Å
142S98.8Very high97Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-123.4135.4-174.9-51.50000110W132 N135 S160 Y161 L190W132-S142 WeakPolarHBondContact CA-OG 3.42Å; W132-S142 PolarHBondContact O-OG 3.05Å; N135-S142 PolarHBondContact ND2-OG 2.79Å; S142-S160 WeakPolarHBondContact O-CB 3.24Å; S142-S160 PolarHBondContact O-N 3.37Å; S142-Y161 PolarHBondContact O-N 2.97Å; S142-L190 CarbonylContact C-O 3.53Å; S142-L190 WeakPolarHBondContact CA-O 3.28Å
143A98.6Very high96.8Very high1 Ų122.6 Ų22.61%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-108.7115.3171.100000109.1Y161 L182 V188 L190 G191 L192A143-Y161 WeakPolarHBondContact CA-O 3.49Å; A143-L182 HydrophobicContact CB-CB 3.97Å; A143-L182 HydrophobicContact CB-CD1 3.63Å; A143-L182 HydrophobicContact CB-CG 4.46Å; A143-V188 HydrophobicContact CB-CG1 4.13Å; A143-L190 PolarHBondContact N-O 3.34Å; A143-G191 CarbonylContact O-C 3.53Å; A143-G191 VanDerWaalsContact O-CA 3.26Å; A143-G191 WeakPolarHBondContact O-CA 3.29Å; A143-L192 PolarHBondContact O-N 2.93Å
144V98.5Very high96.7Very high1 Ų122.6 Ų22.61%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-124112.1-173.9-175.70000109.7W132 W147 P159 Y161 Y162 L192W132-V144 HydrophobicContact CB-CG2 4.02Å; W132-V144 HydrophobicContact CD2-CG2 4.32Å; W132-V144 HydrophobicContact CE3-CG2 4.27Å; W132-V144 HydrophobicContact CG-CG2 4.27Å; V144-W147 HydrophobicContact CG1-CB 3.45Å; V144-W147 VanDerWaalsContact CG1-CB 3.45Å; V144-W147 HydrophobicContact CG1-CG 4.47Å; V144-P159 HydrophobicContact CB-CB 3.94Å; V144-P159 HydrophobicContact CB-CG 3.92Å; V144-P159 HydrophobicContact CG2-CB 3.61Å; V144-P159 HydrophobicContact CG2-CG 3.84Å; V144-Y161 PolarHBondContact N-O 3.33Å; V144-Y162 WeakPolarHBondContact O-CA 3.47Å; V144-L192 HydrophobicContact CB-CB 4.42Å; V144-L192 HydrophobicContact CG1-CB 4.04Å; V144-L192 HydrophobicContact CG1-CD1 4.31Å; V144-L192 HydrophobicContact CG2-CB 4.21Å; V144-L192 HydrophobicContact CG2-CD1 4.05Å; V144-L192 HydrophobicContact CG2-CG 4.38Å
145T98Very high96.4Very high5 Ų527.7 Ų27.73%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-103.8103.4-176.4-59.50000109.5W147 Y163 R175 T179 L192 Y194T145-W147 PolarHBondContact O-N 3.48Å; T145-W147 VanDerWaalsContact O-N 3.14Å; T145-Y163 HydrophobicContact CG2-CD2 4.1Å; T145-Y163 HydrophobicContact CG2-CE2 4.06Å; T145-R175 HydrophobicContact CG2-CB 3.87Å; T145-R175 HydrophobicContact CG2-CG 3.81Å; T145-T179 PolarHBondContact OG1-OG1 2.78Å; T145-T179 VanDerWaalsContact OG1-OG1 3.11Å; T145-L192 PolarHBondContact N-O 2.98Å; T145-Y194 PolarHBondContact O-N 3.48Å
146F96.5Very high96.1Very high13 Ų1330.9 Ų30.96%0.05718%0.18CC..SBendtrans61.913173.1-57.1-43.9000117.4Y163 Q165 Y166 N167 L170 R175 Y194F146-Y163 HydrophobicContact CD1-CD2 4.44Å; F146-Y163 HydrophobicContact CD1-CG 4.07Å; F146-Y163 VanDerWaalsContact CE1-CB 3.42Å; F146-Y163 AromaticContact CE1-CD1 3.83Å; F146-Y163 HydrophobicContact CE1-CD1 3.83Å; F146-Y163 HydrophobicContact CE1-CD2 4.1Å; F146-Y163 AromaticContact CE1-CG 3.49Å; F146-Y163 HydrophobicContact CE1-CG 3.49Å; F146-Y163 VanDerWaalsContact CE1-CG 3.49Å; F146-Y163 HydrophobicContact CZ-CD1 4.11Å; F146-Y163 HydrophobicContact CZ-CD2 4.39Å; F146-Y163 HydrophobicContact CZ-CG 4.03Å; F146-Q165 VanDerWaalsContact CE1-O 3.24Å; F146-Q165 WeakPolarHBondContact CE1-O 3.44Å; F146-Y166 HydrophobicContact CB-CD2 3.74Å; F146-Y166 HydrophobicContact CB-CE2 3.94Å; F146-Y166 AromaticContact CD1-CD2 3.89Å; F146-Y166 HydrophobicContact CD1-CD2 3.89Å; F146-Y166 HydrophobicContact CD2-CD2 4.39Å; F146-Y166 HydrophobicContact CD2-CE2 4.39Å; F146-Y166 AromaticContact CG-CD2 3.77Å; F146-Y166 HydrophobicContact CG-CD2 3.77Å; F146-Y166 HydrophobicContact CG-CE2 4.11Å; F146-N167 HydrophobicContact CE1-CB 4.38Å; F146-N167 HydrophobicContact CZ-CB 3.83Å; F146-L170 HydrophobicContact CE2-CB 4.08Å; F146-L170 HydrophobicContact CE2-CD2 3.63Å; F146-L170 HydrophobicContact CE2-CG 4.44Å; F146-L170 HydrophobicContact CZ-CB 4.46Å; F146-L170 HydrophobicContact CZ-CD2 3.89Å; F146-R175 HydrophobicContact CD2-CG 4.35Å; F146-R175 VanDerWaalsContact CD2-CZ 3.49Å; F146-R175 HydrophobicContact CE2-CG 4.24Å; F146-Y194 HydrophobicContact CB-CD1 4.04Å; F146-Y194 VanDerWaalsContact O-CD1 3.27Å; F146-Y194 WeakPolarHBondContact O-CD1 3.26Å
147W97.6Very high96Very high3 Ų333.2 Ų33.21%0.01119%0.191CC..  trans-61.8134.4178.9-157.6-77.5000111.4V33 H82 L85 V86 W132 V144 T145 G149 S150 L192V33-W147 HydrophobicContact CB-CZ3 4.49Å; V33-W147 HydrophobicContact CG1-CH2 3.98Å; V33-W147 HydrophobicContact CG1-CZ3 4.25Å; H82-W147 AromaticContact CD2-CE2 3.85Å; H82-W147 AromaticContact CD2-CZ2 3.88Å; H82-W147 PolarHBondContact O-NE1 3.42Å; L85-W147 HydrophobicContact CB-CZ2 4.46Å; L85-W147 HydrophobicContact CD1-CH2 4.21Å; L85-W147 HydrophobicContact CD1-CZ2 4.05Å; L85-W147 HydrophobicContact CD2-CH2 3.92Å; L85-W147 HydrophobicContact CD2-CZ2 3.71Å; L85-W147 HydrophobicContact CG-CZ2 4.29Å; V86-W147 HydrophobicContact CG1-CD2 4.24Å; V86-W147 HydrophobicContact CG1-CH2 4.32Å; V86-W147 HydrophobicContact CG1-CZ2 3.43Å; V86-W147 VanDerWaalsContact CG1-CZ2 3.43Å; V86-W147 VanDerWaalsContact CG1-NE1 3.32Å; W132-W147 HydrophobicContact CZ3-CG 4.48Å; V144-W147 HydrophobicContact CG1-CB 3.45Å; V144-W147 VanDerWaalsContact CG1-CB 3.45Å; V144-W147 HydrophobicContact CG1-CG 4.47Å; T145-W147 PolarHBondContact O-N 3.48Å; T145-W147 VanDerWaalsContact O-N 3.14Å; W147-G149 PolarHBondContact O-N 2.85Å; W147-S150 VanDerWaalsContact O-CB 3.22Å; W147-S150 WeakPolarHBondContact O-CB 3.23Å; W147-S150 PolarHBondContact O-N 3.13Å; W147-S150 PolarHBondContact O-OG 3.16Å; W147-L192 HydrophobicContact CD2-CB 4.33Å; W147-L192 HydrophobicContact CD2-CD1 4.35Å; W147-L192 HydrophobicContact CE3-CB 3.67Å; W147-L192 HydrophobicContact CE3-CD1 4.39Å; W147-L192 HydrophobicContact CE3-CD2 4.36Å; W147-L192 HydrophobicContact CE3-CG 4.36Å; W147-L192 HydrophobicContact CH2-CD2 4.47Å; W147-L192 HydrophobicContact CZ3-CB 4.11Å; W147-L192 HydrophobicContact CZ3-CD2 4.09Å
148P94.8Very high96Very high15 Ų1530.6 Ų30.610%0.09719%0.185CC..THydrogen-bonded Turntrans-50.4123.5176.5-31.838.3000112.8T78 H82 L112T78-P148 HydrophobicContact CG2-CG 4.48Å; H82-P148 HydrophobicContact CB-CB 3.95Å; H82-P148 HydrophobicContact CB-CG 3.69Å; L112-P148 HydrophobicContact CD1-CB 4.42Å
149G93.5Very high96.1Very high3 Ų328.6 Ų28.63%0.03118%0.176CC..THydrogen-bonded Turntrans87.9-8.5-176.700000115.8W147 N151 T152 F154W147-G149 PolarHBondContact O-N 2.85Å; G149-N151 PolarHBondContact O-N 3.44Å; G149-T152 PolarHBondContact O-N 3.41Å; G149-F154 WeakPolarHBondContact O-CE2 3.28Å
150S95.5Very high96.2Very high5 Ų527.6 Ų27.64%0.03516%0.158CC..THydrogen-bonded Turntrans-65.6-15.5-176.372.50000115.2W147 T152 P159W147-S150 VanDerWaalsContact O-CB 3.22Å; W147-S150 WeakPolarHBondContact O-CB 3.23Å; W147-S150 PolarHBondContact O-N 3.13Å; W147-S150 PolarHBondContact O-OG 3.16Å; S150-T152 VanDerWaalsContact C-N 3.35Å; S150-P159 WeakPolarHBondContact O-CD 3.46Å; S150-P159 WeakPolarHBondContact O-CG 3.47Å
151N93.3Very high96.2Very high26 Ų2628.6 Ų28.614%0.13916%0.161CC..THydrogen-bonded Turntrans-90.95.2176.4-170.329.6000113.2L118 S119 G149 Y162 S164L118-N151 CarbonylContact O-C 3.59Å; S119-N151 WeakPolarHBondContact CA-O 3.49Å; G149-N151 PolarHBondContact O-N 3.44Å; N151-Y162 WeakPolarHBondContact OD1-CE2 3.43Å; N151-S164 PolarHBondContact ND2-O 3.05Å; N151-S164 WeakPolarHBondContact OD1-CA 3.26Å
152T93.9Very high96.1Very high0 Ų029.1 Ų29.10%016%0.161CC..SBendtrans-109.3135.7175.8-74.20000110.3L118 S119 Q120 S121 F124 G149 S150 F154L118-T152 PolarHBondContact O-N 3.27Å; L118-T152 PolarHBondContact O-OG1 3.13Å; S119-T152 WeakPolarHBondContact CA-OG1 3.16Å; S119-T152 PolarHBondContact N-OG1 3.4Å; Q120-T152 PolarHBondContact N-OG1 3.42Å; S121-T152 VanDerWaalsContact CA-CG2 3.46Å; F124-T152 HydrophobicContact CB-CG2 3.84Å; F124-T152 HydrophobicContact CD2-CG2 3.93Å; F124-T152 WeakPolarHBondContact CD2-OG1 3.34Å; F124-T152 HydrophobicContact CG-CG2 4.21Å; G149-T152 PolarHBondContact O-N 3.41Å; S150-T152 VanDerWaalsContact C-N 3.35Å; T152-F154 VanDerWaalsContact O-CD2 3.29Å; T152-F154 WeakPolarHBondContact O-CD2 3.4Å; T152-F154 PolarHBondContact O-N 3.05Å
153P94.3Very high95.8Very high35 Ų3533.1 Ų33.123%0.22718%0.177CC..  trans-69.7125.9169.519.3-20.2000110.7S121 Q157 L158S121-P153 WeakPolarHBondContact OG-CG 3.42Å; S121-P153 PolarHBondContact OG-O 2.77Å; P153-Q157 WeakPolarHBondContact CA-O 3.5Å; P153-L158 HydrophobicContact CB-CG 4.21Å
154F95.8Very high95.3Very high0 Ų036.2 Ų36.20%020%0.199CC..BIsolated β-bridgetrans-103.8128.2169-70.9-104.7000108.3L83 F124 S128 P130 W132 V133 G149 T152 G156 Q157L83-F154 HydrophobicContact CD1-CE1 4.24Å; L83-F154 HydrophobicContact CD1-CZ 3.95Å; F124-F154 HydrophobicContact CB-CD1 4.43Å; F124-F154 HydrophobicContact CB-CE1 3.65Å; F124-F154 HydrophobicContact CB-CE2 4.07Å; F124-F154 HydrophobicContact CB-CZ 3.46Å; F124-F154 VanDerWaalsContact CB-CZ 3.46Å; F124-F154 AromaticContact CD1-CZ 3.91Å; F124-F154 HydrophobicContact CD1-CZ 3.91Å; F124-F154 HydrophobicContact CG-CZ 4.01Å; F124-F154 WeakPolarHBondContact O-CE1 3.4Å; S128-F154 WeakPolarHBondContact OG-CE1 3.35Å; P130-F154 VanDerWaalsContact CD-CD1 3.47Å; P130-F154 HydrophobicContact CG-CB 4.14Å; P130-F154 HydrophobicContact CG-CD1 4Å; P130-F154 HydrophobicContact CG-CD2 3.75Å; P130-F154 HydrophobicContact CG-CE1 4.22Å; P130-F154 HydrophobicContact CG-CE2 4.02Å; P130-F154 HydrophobicContact CG-CG 3.72Å; P130-F154 HydrophobicContact CG-CZ 4.21Å; W132-F154 HydrophobicContact CZ2-CD2 4.11Å; W132-F154 AromaticContact CZ2-CE2 3.74Å; W132-F154 HydrophobicContact CZ2-CE2 3.74Å; W132-F154 HydrophobicContact CZ2-CZ 4.41Å; V133-F154 HydrophobicContact CG2-CB 4Å; G149-F154 WeakPolarHBondContact O-CE2 3.28Å; T152-F154 VanDerWaalsContact O-CD2 3.29Å; T152-F154 WeakPolarHBondContact O-CD2 3.4Å; T152-F154 PolarHBondContact O-N 3.05Å; F154-G156 PolarHBondContact O-N 2.8Å; F154-G156 VanDerWaalsContact O-N 3.15Å; F154-Q157 PolarHBondContact N-O 3.5Å; F154-Q157 PolarHBondContact O-N 3.03Å
155K92.4Very high94.8Very high107 Ų10742.9 Ų42.947%0.46523%0.23SC..THydrogen-bonded Turntrans50.537.9-173.5-53.9-178.7-173.9-69.60112.3D125 E129 Q157D125-K155 PolarHBondContact OD1-N 3.48Å; D125-K155 VanDerWaalsContact OD1-N 3.16Å; D125-K155 PolarHBondContact OD2-N 2.96Å; E129-K155 HydrophobicContact CB-CD 4.45Å; E129-K155 HydrophobicContact CG-CD 4.29Å; E129-K155 WeakPolarHBondContact OE2-CD 3.47Å; E129-K155 WeakPolarHBondContact OE2-CE 3.14Å; K155-Q157 VanDerWaalsContact C-N 3.3Å; K155-Q157 PolarHBondContact O-N 3.5Å
156G93Very high94.6Very high68 Ų6847 Ų4770%0.70125%0.245SC*.THydrogen-bonded Turntrans74.19.1-177.600000115.8F154F154-G156 PolarHBondContact O-N 2.8Å; F154-G156 VanDerWaalsContact O-N 3.15Å
157Q95.3Very high94.5Very high77 Ų7749.7 Ų49.736%0.3626%0.26SS..BIsolated β-bridgetrans-122.1132-176.8-66.4-176.758.600112.9V133 P153 F154 K155V133-Q157 HydrophobicContact CG2-CB 4.25Å; P153-Q157 WeakPolarHBondContact CA-O 3.5Å; F154-Q157 PolarHBondContact N-O 3.5Å; F154-Q157 PolarHBondContact O-N 3.03Å; K155-Q157 VanDerWaalsContact C-N 3.3Å; K155-Q157 PolarHBondContact O-N 3.5Å
158L97.1Very high94.3Very high53 Ų5353.1 Ų53.128%0.27728%0.276SS..  trans-89.9164.1164.9-75.5156000110.1Q136 P153 Y162Q136-L158 PolarHBondContact NE2-O 3.29Å; Q136-L158 PolarHBondContact OE1-O 3.23Å; P153-L158 HydrophobicContact CB-CG 4.21Å; L158-Y162 HydrophobicContact CB-CD1 4.32Å; L158-Y162 HydrophobicContact CB-CE1 3.98Å; L158-Y162 HydrophobicContact CD1-CE1 4.01Å; L158-Y162 WeakPolarHBondContact CD1-OH 3.4Å; L158-Y162 HydrophobicContact CD2-CE1 4.39Å; L158-Y162 HydrophobicContact CD2-CE2 4.07Å; L158-Y162 HydrophobicContact CG-CE1 4.35Å
159P98.1Very high94.4Very high4 Ų459.4 Ų59.43%0.02630%0.304CS..  trans-57.8149.3164.2-12.724.3000111W132 V144 S150 Y161 Y162W132-P159 HydrophobicContact CB-CB 4.44Å; W132-P159 HydrophobicContact CD2-CG 4.3Å; W132-P159 HydrophobicContact CG-CB 4.27Å; W132-P159 HydrophobicContact CG-CG 3.99Å; V144-P159 HydrophobicContact CB-CB 3.94Å; V144-P159 HydrophobicContact CB-CG 3.92Å; V144-P159 HydrophobicContact CG2-CB 3.61Å; V144-P159 HydrophobicContact CG2-CG 3.84Å; S150-P159 WeakPolarHBondContact O-CD 3.46Å; S150-P159 WeakPolarHBondContact O-CG 3.47Å; P159-Y161 PolarHBondContact O-N 2.92Å; P159-Y162 VanDerWaalsContact O-CD1 3.29Å; P159-Y162 WeakPolarHBondContact O-CD1 3.43Å
160S98.3Very high94.6Very high47 Ų4760.5 Ų60.533%0.32931%0.309SS..SBendtrans-62.6-32.8-177.3-60.80000112.5Q136 K141 S142Q136-S160 PolarHBondContact OE1-OG 2.97Å; K141-S160 WeakPolarHBondContact CB-OG 3.23Å; S142-S160 WeakPolarHBondContact O-CB 3.24Å; S142-S160 PolarHBondContact O-N 3.37Å
161Y98.4Very high94.7Very high61 Ų6163.4 Ų63.424%0.23933%0.328CS..EExtended strand (participates in β ladder)trans-134.9124.6171.8-57-86.3000108.3K141 S142 A143 V144 P159 L182 R187 V188K141-Y161 HydrophobicContact CD-CE2 4.48Å; S142-Y161 PolarHBondContact O-N 2.97Å; A143-Y161 WeakPolarHBondContact CA-O 3.49Å; V144-Y161 PolarHBondContact N-O 3.33Å; P159-Y161 PolarHBondContact O-N 2.92Å; Y161-L182 HydrophobicContact CD1-CD1 4.27Å; Y161-L182 HydrophobicContact CD1-CD2 3.74Å; Y161-L182 HydrophobicContact CD2-CD1 4.4Å; Y161-L182 HydrophobicContact CD2-CD2 4.14Å; Y161-L182 HydrophobicContact CE1-CD2 3.77Å; Y161-L182 HydrophobicContact CE2-CD2 4.19Å; Y161-L182 HydrophobicContact CG-CD1 3.89Å; Y161-L182 HydrophobicContact CG-CD2 3.91Å; Y161-R187 PolarHBondContact OH-NH1 2.86Å; Y161-R187 PolarHBondContact OH-NH2 3.05Å; Y161-V188 HydrophobicContact CD2-CG2 4.22Å; Y161-V188 HydrophobicContact CE2-CG2 3.7Å
162Y96.6Very high95Very high88 Ų8862.2 Ų62.235%0.34532%0.321SS..EExtended strand (participates in β ladder)trans-155166.7-179.171.5-74.6000111.3V144 N151 L158 P159V144-Y162 WeakPolarHBondContact O-CA 3.47Å; N151-Y162 WeakPolarHBondContact OD1-CE2 3.43Å; L158-Y162 HydrophobicContact CB-CD1 4.32Å; L158-Y162 HydrophobicContact CB-CE1 3.98Å; L158-Y162 HydrophobicContact CD1-CE1 4.01Å; L158-Y162 WeakPolarHBondContact CD1-OH 3.4Å; L158-Y162 HydrophobicContact CD2-CE1 4.39Å; L158-Y162 HydrophobicContact CD2-CE2 4.07Å; L158-Y162 HydrophobicContact CG-CE1 4.35Å; P159-Y162 VanDerWaalsContact O-CD1 3.29Å; P159-Y162 WeakPolarHBondContact O-CD1 3.43Å
163Y92.2Very high95.2Very high83 Ų8363.9 Ų63.933%0.32533%0.332SS..  trans-99.2129.1171.2-76.9-89.2000110.8T145 F146 Q165 Q178T145-Y163 HydrophobicContact CG2-CD2 4.1Å; T145-Y163 HydrophobicContact CG2-CE2 4.06Å; F146-Y163 HydrophobicContact CD1-CD2 4.44Å; F146-Y163 HydrophobicContact CD1-CG 4.07Å; F146-Y163 VanDerWaalsContact CE1-CB 3.42Å; F146-Y163 AromaticContact CE1-CD1 3.83Å; F146-Y163 HydrophobicContact CE1-CD1 3.83Å; F146-Y163 HydrophobicContact CE1-CD2 4.1Å; F146-Y163 AromaticContact CE1-CG 3.49Å; F146-Y163 HydrophobicContact CE1-CG 3.49Å; F146-Y163 VanDerWaalsContact CE1-CG 3.49Å; F146-Y163 HydrophobicContact CZ-CD1 4.11Å; F146-Y163 HydrophobicContact CZ-CD2 4.39Å; F146-Y163 HydrophobicContact CZ-CG 4.03Å; Y163-Q165 VanDerWaalsContact C-N 3.35Å; Y163-Q178 VanDerWaalsContact CZ-OE1 3.28Å; Y163-Q178 PolarHBondContact OH-NE2 2.97Å; Y163-Q178 PolarHBondContact OH-OE1 2.83Å
164S87.5Confident95.4Very high67 Ų6765.2 Ų65.247%0.46934%0.337SS..SBendtrans-80.7-15.5178.559.50000113.9N151N151-S164 PolarHBondContact ND2-O 3.05Å; N151-S164 WeakPolarHBondContact OD1-CA 3.26Å
165Q89.6Confident95.6Very high141 Ų14165.2 Ų65.266%0.65934%0.337SS*.SBendtrans-136.4135.1177.5-66.3-173.7-9.700109.1T115 F146 Y163T115-Q165 HydrophobicContact CG2-CG 4.47Å; F146-Q165 VanDerWaalsContact CE1-O 3.24Å; F146-Q165 WeakPolarHBondContact CE1-O 3.44Å; Y163-Q165 VanDerWaalsContact C-N 3.35Å
166Y92.3Very high95.9Very high91 Ų9160.1 Ų60.136%0.35732%0.315SS..  trans-71.3130.1174.7179.7-111.1000110.3F146 H168 Y194F146-Y166 HydrophobicContact CB-CD2 3.74Å; F146-Y166 HydrophobicContact CB-CE2 3.94Å; F146-Y166 AromaticContact CD1-CD2 3.89Å; F146-Y166 HydrophobicContact CD1-CD2 3.89Å; F146-Y166 HydrophobicContact CD2-CD2 4.39Å; F146-Y166 HydrophobicContact CD2-CE2 4.39Å; F146-Y166 AromaticContact CG-CD2 3.77Å; F146-Y166 HydrophobicContact CG-CD2 3.77Å; F146-Y166 HydrophobicContact CG-CE2 4.11Å; Y166-H168 HydrophobicContact CD1-CB 4.29Å; Y166-H168 HydrophobicContact CE1-CB 3.55Å; Y166-H168 AromaticContact CE1-CG 3.97Å; Y166-H168 AromaticContact CE1-ND1 3.61Å; Y166-H168 AromaticContact CZ-ND1 3.78Å; Y166-H168 PolarHBondContact OH-ND1 3.19Å; Y166-Y194 HydrophobicContact CD2-CE1 4.47Å; Y166-Y194 AromaticContact CE2-CD1 3.8Å; Y166-Y194 HydrophobicContact CE2-CD1 3.8Å; Y166-Y194 AromaticContact CE2-CE1 3.52Å; Y166-Y194 HydrophobicContact CE2-CE1 3.52Å; Y166-Y194 AromaticContact CZ-CE1 3.82Å
167N94.6Very high96.1Very high69 Ų6959.4 Ų59.437%0.36930%0.295SS..  trans-114.5103.9171.2-177-10.8000108.8F146 Q169 L170 R175F146-N167 HydrophobicContact CE1-CB 4.38Å; F146-N167 HydrophobicContact CZ-CB 3.83Å; N167-Q169 VanDerWaalsContact C-N 3.25Å; N167-Q169 PolarHBondContact O-N 3.22Å; N167-Q169 PolarHBondContact OD1-N 2.73Å; N167-Q169 PolarHBondContact OD1-OE1 3.09Å; N167-L170 HydrophobicContact CB-CB 4.22Å; N167-L170 PolarHBondContact O-N 2.86Å; N167-L170 PolarHBondContact OD1-N 3.07Å; N167-R175 PolarHBondContact O-NH2 2.95Å; N167-R175 VanDerWaalsContact O-NH2 3.1Å
168H94.4Very high96.2Very high75 Ų7558.5 Ų58.535%0.34729%0.291SS..THydrogen-bonded Turntrans-64.1-34-179.1-167.465.7000111.6Y166 L170 H196Y166-H168 HydrophobicContact CD1-CB 4.29Å; Y166-H168 HydrophobicContact CE1-CB 3.55Å; Y166-H168 AromaticContact CE1-CG 3.97Å; Y166-H168 AromaticContact CE1-ND1 3.61Å; Y166-H168 AromaticContact CZ-ND1 3.78Å; Y166-H168 PolarHBondContact OH-ND1 3.19Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 3.33Å; H168-H196 AromaticContact CE1-CD2 3.3Å; H168-H196 PolarHBondContact CE1-CD2 3.15Å; H168-H196 AromaticContact CE1-CG 3.29Å; H168-H196 AromaticContact CE1-ND1 3.75Å; H168-H196 AromaticContact CE1-NE2 3.79Å; H168-H196 AromaticContact ND1-CD2 4Å; H168-H196 AromaticContact ND1-CG 3.59Å; H168-H196 AromaticContact ND1-ND1 3.66Å; H168-H196 AromaticContact NE2-CD2 3.79Å; H168-H196 AromaticContact NE2-NE2 3.92Å; H168-H196 PolarHBondContact O-CE1 3.07Å
169Q96.6Very high96.3Very high148 Ų14856 Ų5669%0.69228%0.278SS*.THydrogen-bonded Turntrans-79.6-10.9-175.9-66.370.128.300113.8N167 P171N167-Q169 VanDerWaalsContact C-N 3.25Å; N167-Q169 PolarHBondContact O-N 3.22Å; N167-Q169 PolarHBondContact OD1-N 2.73Å; N167-Q169 PolarHBondContact OD1-OE1 3.09Å; Q169-P171 WeakPolarHBondContact O-CD 3.36Å
170L97.7Very high96.3Very high26 Ų2655.8 Ų55.814%0.13628%0.276CS..SBendtrans-69.2116.9179.3-170.369.4000110.2F146 N167 H168 D174 R175F146-L170 HydrophobicContact CE2-CB 4.08Å; F146-L170 HydrophobicContact CE2-CD2 3.63Å; F146-L170 HydrophobicContact CE2-CG 4.44Å; F146-L170 HydrophobicContact CZ-CB 4.46Å; F146-L170 HydrophobicContact CZ-CD2 3.89Å; N167-L170 HydrophobicContact CB-CB 4.22Å; N167-L170 PolarHBondContact O-N 2.86Å; N167-L170 PolarHBondContact OD1-N 3.07Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 3.33Å; L170-D174 HydrophobicContact CD1-CB 3.76Å; L170-D174 HydrophobicContact CG-CB 4.03Å; L170-R175 HydrophobicContact CD2-CG 3.93Å; L170-R175 HydrophobicContact CG-CG 4.29Å; L170-R175 VanDerWaalsContact O-CZ 3.32Å; L170-R175 PolarHBondContact O-NE 2.99Å; L170-R175 PolarHBondContact O-NH2 2.82Å
171P98.2Very high96.3Very high65 Ų6561.1 Ų61.142%0.42229%0.293SS..  trans-60.4154.5-179.3-23.935.1000113.4Q169 V173 D174 R175Q169-P171 WeakPolarHBondContact O-CD 3.36Å; P171-V173 VanDerWaalsContact C-N 3.31Å; P171-V173 PolarHBondContact O-N 2.8Å; P171-D174 WeakPolarHBondContact CD-OD2 3.38Å; P171-D174 PolarHBondContact O-N 3.25Å; P171-R175 WeakPolarHBondContact O-CG 3.46Å; P171-R175 PolarHBondContact O-N 2.94Å
172L98.8Very high96.3Very high1 Ų160 Ų601%0.00529%0.292CS..Hα-helixtrans-60.4-39.4178.2176.356.9000112I34 L36 D174 R175 I176 I193 F195 L219 D222I34-L172 HydrophobicContact CG2-CD1 4.28Å; L36-L172 HydrophobicContact CD2-CD2 4Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 3.36Å; L172-R175 WeakPolarHBondContact O-CB 3.32Å; L172-R175 PolarHBondContact O-N 3.01Å; L172-R175 VanDerWaalsContact O-N 3.13Å; L172-I176 HydrophobicContact CD1-CD1 4.14Å; L172-I176 HydrophobicContact CD1-CG1 4.22Å; L172-I176 HydrophobicContact CG-CD1 3.8Å; L172-I176 HydrophobicContact CG-CG1 4.39Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.8Å; L172-I193 HydrophobicContact CD1-CG2 4.01Å; L172-F195 HydrophobicContact CB-CD1 4.11Å; L172-F195 HydrophobicContact CB-CD2 3.77Å; L172-F195 HydrophobicContact CB-CE1 4.03Å; L172-F195 HydrophobicContact CB-CE2 3.73Å; L172-F195 HydrophobicContact CB-CG 3.99Å; L172-F195 HydrophobicContact CB-CZ 3.86Å; L172-F195 HydrophobicContact CD1-CB 4.06Å; L172-F195 HydrophobicContact CD1-CD2 4.3Å; L172-F195 HydrophobicContact CD1-CG 4.1Å; L172-F195 HydrophobicContact CD2-CD1 4.15Å; L172-F195 HydrophobicContact CD2-CG 4.39Å; L172-F195 HydrophobicContact CG-CG 4.38Å; L172-L219 HydrophobicContact CD2-CD2 3.69Å; L172-D222 HydrophobicContact CB-CB 4.47Å; L172-D222 WeakPolarHBondContact CB-OD2 3.27Å; L172-D222 HydrophobicContact CD2-CB 3.91Å; L172-D222 HydrophobicContact CG-CB 4.23Å
173V98.7Very high96.4Very high35 Ų3555.9 Ų55.921%0.21228%0.275CS..Hα-helixtrans-55.9-40175.7169.80000112.6P171 I176 N177 D222 Y225P171-V173 VanDerWaalsContact C-N 3.31Å; P171-V173 PolarHBondContact O-N 2.8Å; V173-I176 WeakPolarHBondContact O-CB 3.39Å; V173-I176 PolarHBondContact O-N 2.67Å; V173-N177 WeakPolarHBondContact O-CB 3.44Å; V173-N177 PolarHBondContact O-N 3.2Å; V173-N177 PolarHBondContact O-ND2 3.42Å; V173-D222 HydrophobicContact CG2-CB 4.04Å; V173-D222 WeakPolarHBondContact CG2-OD1 3.43Å; V173-Y225 HydrophobicContact CG1-CD1 3.8Å; V173-Y225 HydrophobicContact CG1-CE1 3.63Å; V173-Y225 HydrophobicContact CG2-CD1 4.27Å
174D98.5Very high96.5Very high64 Ų6454.7 Ų54.734%0.34228%0.275SS..Hα-helixtrans-71.4-38.8178.3-70.7-23.3000111.7L170 P171 L172 I176 N177 Q178L170-D174 HydrophobicContact CD1-CB 3.76Å; L170-D174 HydrophobicContact CG-CB 4.03Å; P171-D174 WeakPolarHBondContact CD-OD2 3.38Å; P171-D174 PolarHBondContact O-N 3.25Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 3.36Å; D174-I176 VanDerWaalsContact C-N 3.29Å; D174-I176 PolarHBondContact O-N 2.88Å; D174-N177 PolarHBondContact O-N 3.1Å; D174-Q178 VanDerWaalsContact O-CD 3.26Å; D174-Q178 WeakPolarHBondContact O-CG 3.21Å; D174-Q178 PolarHBondContact O-N 2.8Å
175R98.4Very high96.9Very high0 Ų054.8 Ų54.80%027%0.269CS..Hα-helixtrans-59.7-42.5171.8-59.9175.3-162.3-146-2110.5T145 F146 N167 L170 P171 L172 T179 I193 Y194T145-R175 HydrophobicContact CG2-CB 3.87Å; T145-R175 HydrophobicContact CG2-CG 3.81Å; F146-R175 HydrophobicContact CD2-CG 4.35Å; F146-R175 VanDerWaalsContact CD2-CZ 3.49Å; F146-R175 HydrophobicContact CE2-CG 4.24Å; N167-R175 PolarHBondContact O-NH2 2.95Å; N167-R175 VanDerWaalsContact O-NH2 3.1Å; L170-R175 HydrophobicContact CD2-CG 3.93Å; L170-R175 HydrophobicContact CG-CG 4.29Å; L170-R175 VanDerWaalsContact O-CZ 3.32Å; L170-R175 PolarHBondContact O-NE 2.99Å; L170-R175 PolarHBondContact O-NH2 2.82Å; P171-R175 WeakPolarHBondContact O-CG 3.46Å; P171-R175 PolarHBondContact O-N 2.94Å; L172-R175 WeakPolarHBondContact O-CB 3.32Å; L172-R175 PolarHBondContact O-N 3.01Å; L172-R175 VanDerWaalsContact O-N 3.13Å; R175-T179 WeakPolarHBondContact O-CB 3.37Å; R175-T179 PolarHBondContact O-N 2.91Å; R175-T179 VanDerWaalsContact O-N 3.12Å; R175-T179 PolarHBondContact O-OG1 2.86Å; R175-I193 HydrophobicContact CB-CG2 3.87Å; R175-Y194 PolarHBondContact NH1-O 3.21Å
176I98.8Very high97Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-61.3-52.4175.2-74.1160.2000110.6I34 L172 V173 D174 Q178 T179 I180 I193 Y225 L226 L229I34-I176 HydrophobicContact CD1-CG1 4.43Å; L172-I176 HydrophobicContact CD1-CD1 4.14Å; L172-I176 HydrophobicContact CD1-CG1 4.22Å; L172-I176 HydrophobicContact CG-CD1 3.8Å; L172-I176 HydrophobicContact CG-CG1 4.39Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.8Å; V173-I176 WeakPolarHBondContact O-CB 3.39Å; V173-I176 PolarHBondContact O-N 2.67Å; D174-I176 VanDerWaalsContact C-N 3.29Å; D174-I176 PolarHBondContact O-N 2.88Å; I176-Q178 VanDerWaalsContact C-N 3.32Å; I176-Q178 PolarHBondContact O-N 3.18Å; I176-T179 PolarHBondContact O-N 3.06Å; I176-I180 HydrophobicContact CG2-CG1 4.07Å; I176-I180 WeakPolarHBondContact O-CB 3.4Å; I176-I180 VanDerWaalsContact O-CG1 3.3Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.13Å; I176-I193 HydrophobicContact CG1-CD1 4.2Å; I176-Y225 HydrophobicContact CG2-CD1 4.46Å; I176-L226 HydrophobicContact CD1-CB 4.07Å; I176-L226 HydrophobicContact CG2-CB 4.11Å; I176-L226 HydrophobicContact CG2-CD1 3.79Å; I176-L229 HydrophobicContact CG2-CD1 3.8Å
177N98.5Very high97.2Very high52 Ų5256 Ų5628%0.27828%0.278SS..Hα-helixtrans-56.8-45.5-177.3-86.7-32.7000112.5V173 D174 K181 Y225V173-N177 WeakPolarHBondContact O-CB 3.44Å; V173-N177 PolarHBondContact O-N 3.2Å; V173-N177 PolarHBondContact O-ND2 3.42Å; D174-N177 PolarHBondContact O-N 3.1Å; N177-K181 VanDerWaalsContact O-CB 3.27Å; N177-K181 WeakPolarHBondContact O-CB 3.48Å; N177-K181 PolarHBondContact O-N 2.85Å; N177-Y225 PolarHBondContact ND2-OH 3.28Å; N177-Y225 WeakPolarHBondContact OD1-CE1 3.46Å; N177-Y225 PolarHBondContact OD1-OH 2.93Å
178Q97.8Very high97.4Very high59 Ų5952.8 Ų52.828%0.27626%0.261SS..Hα-helixtrans-66.6-46.4-179.7-66.3161.36.300111.6Y163 D174 I176 K181 L182Y163-Q178 VanDerWaalsContact CZ-OE1 3.28Å; Y163-Q178 PolarHBondContact OH-NE2 2.97Å; Y163-Q178 PolarHBondContact OH-OE1 2.83Å; D174-Q178 VanDerWaalsContact O-CD 3.26Å; D174-Q178 WeakPolarHBondContact O-CG 3.21Å; D174-Q178 PolarHBondContact O-N 2.8Å; I176-Q178 VanDerWaalsContact C-N 3.32Å; I176-Q178 PolarHBondContact O-N 3.18Å; Q178-K181 PolarHBondContact O-N 3.08Å; Q178-L182 WeakPolarHBondContact O-CG 3.43Å; Q178-L182 PolarHBondContact O-N 3.44Å; Q178-L182 VanDerWaalsContact O-N 3.16Å
179T98.5Very high97.6Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-67.2-41.6179.6-59.50000111.7L32 T145 R175 I176 L182 L183 I193L32-T179 HydrophobicContact CD1-CG2 3.75Å; T145-T179 PolarHBondContact OG1-OG1 2.78Å; T145-T179 VanDerWaalsContact OG1-OG1 3.11Å; R175-T179 WeakPolarHBondContact O-CB 3.37Å; R175-T179 PolarHBondContact O-N 2.91Å; R175-T179 VanDerWaalsContact O-N 3.12Å; R175-T179 PolarHBondContact O-OG1 2.86Å; I176-T179 PolarHBondContact O-N 3.06Å; T179-L182 PolarHBondContact O-N 3.46Å; T179-L183 HydrophobicContact CG2-CD1 4Å; T179-L183 HydrophobicContact CG2-CG 4.44Å; T179-L183 WeakPolarHBondContact O-CB 3.34Å; T179-L183 WeakPolarHBondContact O-CG 3.4Å; T179-L183 PolarHBondContact O-N 3.17Å; T179-I193 HydrophobicContact CG2-CD1 4.24Å; T179-I193 HydrophobicContact CG2-CG1 4.23Å
180I98.3Very high97.7Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-64.3-42.8177.3-70.7-66.3000111.2L32 I176 L182 L183 D184 L226 I230 L236 L240L32-I180 HydrophobicContact CD2-CD1 4.19Å; I176-I180 HydrophobicContact CG2-CG1 4.07Å; I176-I180 WeakPolarHBondContact O-CB 3.4Å; I176-I180 VanDerWaalsContact O-CG1 3.3Å; I176-I180 WeakPolarHBondContact O-CG1 3.36Å; I176-I180 PolarHBondContact O-N 3.13Å; I180-L182 PolarHBondContact O-N 2.78Å; I180-L183 HydrophobicContact CD1-CD1 4.24Å; I180-L183 CarbonylContact O-C 3.59Å; I180-L183 PolarHBondContact O-N 3.41Å; I180-L183 VanDerWaalsContact O-N 3.12Å; I180-D184 PolarHBondContact O-N 3.29Å; I180-L226 HydrophobicContact CD1-CD1 3.79Å; I180-L226 HydrophobicContact CG1-CD1 3.96Å; I180-I230 HydrophobicContact CD1-CG1 4.48Å; I180-L236 HydrophobicContact CD1-CD1 4.3Å; I180-L236 HydrophobicContact CG2-CD1 3.99Å; I180-L240 HydrophobicContact CD1-CD2 4.17Å
181K97.8Very high97.7Very high158 Ų15840.9 Ų40.969%0.68721%0.205SC*.Hα-helixtrans-57.5-37.1173.9179.6179.1178.2178.60112.2N177 Q178N177-K181 VanDerWaalsContact O-CB 3.27Å; N177-K181 WeakPolarHBondContact O-CB 3.48Å; N177-K181 PolarHBondContact O-N 2.85Å; Q178-K181 PolarHBondContact O-N 3.08Å
182L98.4Very high97.8Very high39 Ų3937.8 Ų37.820%0.20419%0.185CC..Hα-helixtrans-73.7-40.7175.4-69.4170.1000111.7A143 Y161 Q178 T179 I180 D184 L185 V188A143-L182 HydrophobicContact CB-CB 3.97Å; A143-L182 HydrophobicContact CB-CD1 3.63Å; A143-L182 HydrophobicContact CB-CG 4.46Å; Y161-L182 HydrophobicContact CD1-CD1 4.27Å; Y161-L182 HydrophobicContact CD1-CD2 3.74Å; Y161-L182 HydrophobicContact CD2-CD1 4.4Å; Y161-L182 HydrophobicContact CD2-CD2 4.14Å; Y161-L182 HydrophobicContact CE1-CD2 3.77Å; Y161-L182 HydrophobicContact CE2-CD2 4.19Å; Y161-L182 HydrophobicContact CG-CD1 3.89Å; Y161-L182 HydrophobicContact CG-CD2 3.91Å; Q178-L182 WeakPolarHBondContact O-CG 3.43Å; Q178-L182 PolarHBondContact O-N 3.44Å; Q178-L182 VanDerWaalsContact O-N 3.16Å; T179-L182 PolarHBondContact O-N 3.46Å; I180-L182 PolarHBondContact O-N 2.78Å; L182-D184 PolarHBondContact O-N 2.81Å; L182-L185 HydrophobicContact CD2-CD1 4.36Å; L182-L185 VanDerWaalsContact O-CB 3.26Å; L182-L185 WeakPolarHBondContact O-CB 3.49Å; L182-L185 WeakPolarHBondContact O-CG 3.39Å; L182-L185 PolarHBondContact O-N 3.15Å; L182-V188 HydrophobicContact CB-CG1 4.45Å; L182-V188 VanDerWaalsContact O-CB 3.24Å; L182-V188 WeakPolarHBondContact O-CB 3.44Å; L182-V188 WeakPolarHBondContact O-CG2 3.31Å
183L98.1Very high97.8Very high0 Ų037.8 Ų37.80%019%0.185CC..Hα-helixtrans-65.1-18.8175.4-77.4168.5000113.2K30 L32 T179 I180 L185 V188 L236 L240K30-L183 HydrophobicContact CB-CD2 4.4Å; K30-L183 HydrophobicContact CD-CD2 4.32Å; K30-L183 WeakPolarHBondContact CD-O 3.43Å; K30-L183 PolarHBondContact NZ-O 3.46Å; L32-L183 HydrophobicContact CB-CD1 4.17Å; L32-L183 HydrophobicContact CD1-CD1 4.32Å; T179-L183 HydrophobicContact CG2-CD1 4Å; T179-L183 HydrophobicContact CG2-CG 4.44Å; T179-L183 WeakPolarHBondContact O-CB 3.34Å; T179-L183 WeakPolarHBondContact O-CG 3.4Å; T179-L183 PolarHBondContact O-N 3.17Å; I180-L183 HydrophobicContact CD1-CD1 4.24Å; I180-L183 CarbonylContact O-C 3.59Å; I180-L183 PolarHBondContact O-N 3.41Å; I180-L183 VanDerWaalsContact O-N 3.12Å; L183-L185 PolarHBondContact O-N 3.25Å; L183-V188 HydrophobicContact CD2-CG1 4.15Å; L183-L236 HydrophobicContact CB-CD2 4.32Å; L183-L236 WeakPolarHBondContact O-CD2 3.46Å; L183-L240 HydrophobicContact CD1-CD1 4.12Å
184D95.2Very high97.8Very high59 Ų5937.3 Ų37.332%0.31618%0.179SC..THydrogen-bonded Turntrans-66.7-21.1169.4-82.3-37.3000112.2I180 L182 R233I180-D184 PolarHBondContact O-N 3.29Å; L182-D184 PolarHBondContact O-N 2.81Å; D184-R233 WeakPolarHBondContact OD1-CD 3.46Å; D184-R233 IonicContact OD1-NE 2.79Å; D184-R233 IonicContact OD2-CZ 3.78Å; D184-R233 IonicContact OD2-NE 2.75Å; D184-R233 PolarHBondContact OD2-NE 3.21Å
185L95.8Very high97.8Very high68 Ų6835 Ų3536%0.35617%0.166SC..SBendtrans-76.3128.8174.6-55.3175.7000110.7K30 L182 L183 R187 V188K30-L185 PolarHBondContact NZ-O 3.18Å; L182-L185 HydrophobicContact CD2-CD1 4.36Å; L182-L185 VanDerWaalsContact O-CB 3.26Å; L182-L185 WeakPolarHBondContact O-CB 3.49Å; L182-L185 WeakPolarHBondContact O-CG 3.39Å; L182-L185 PolarHBondContact O-N 3.15Å; L183-L185 PolarHBondContact O-N 3.25Å; L185-R187 HydrophobicContact CB-CG 4.35Å; L185-R187 PolarHBondContact O-N 2.85Å; L185-R187 VanDerWaalsContact O-N 3.13Å; L185-V188 HydrophobicContact CB-CB 4.49Å; L185-V188 HydrophobicContact CB-CG2 4.05Å; L185-V188 HydrophobicContact CD1-CG2 4.29Å; L185-V188 PolarHBondContact O-N 2.95Å
186D92.5Very high97.8Very high144 Ų14435.9 Ų35.977%0.7717%0.17SC*.THydrogen-bonded Turntrans-53.8-37.7-178.5-69.7-24.1000113.8V188D186-V188 VanDerWaalsContact C-N 3.29Å; D186-V188 PolarHBondContact O-N 2.63Å
187R95.5Very high97.8Very high115 Ų11537.4 Ų37.443%0.43418%0.177SC..THydrogen-bonded Turntrans-70.3-20.217963.2-173169.9116.8-18.2114.4K141 Y161 L185K141-R187 WeakPolarHBondContact CB-O 3.43Å; K141-R187 HydrophobicContact CD-CB 4.41Å; K141-R187 HydrophobicContact CD-CG 4Å; K141-R187 HydrophobicContact CG-CB 4.43Å; K141-R187 HydrophobicContact CG-CG 4.44Å; K141-R187 PolarHBondContact N-O 3.13Å; Y161-R187 PolarHBondContact OH-NH1 2.86Å; Y161-R187 PolarHBondContact OH-NH2 3.05Å; L185-R187 HydrophobicContact CB-CG 4.35Å; L185-R187 PolarHBondContact O-N 2.85Å; L185-R187 VanDerWaalsContact O-N 3.13Å
188V98.4Very high97.8Very high0 Ų035 Ų350%017%0.165CC..EExtended strand (participates in β ladder)trans-94.3114.1179.5-175.70000108.3K30 K141 A143 Y161 L182 L183 L185 D186K30-V188 WeakPolarHBondContact CD-O 3.38Å; K30-V188 WeakPolarHBondContact CE-O 3.32Å; K30-V188 PolarHBondContact NZ-O 3.38Å; K141-V188 HydrophobicContact CB-CG2 4.08Å; K141-V188 WeakPolarHBondContact O-CA 3.39Å; A143-V188 HydrophobicContact CB-CG1 4.13Å; Y161-V188 HydrophobicContact CD2-CG2 4.22Å; Y161-V188 HydrophobicContact CE2-CG2 3.7Å; L182-V188 HydrophobicContact CB-CG1 4.45Å; L182-V188 VanDerWaalsContact O-CB 3.24Å; L182-V188 WeakPolarHBondContact O-CB 3.44Å; L182-V188 WeakPolarHBondContact O-CG2 3.31Å; L183-V188 HydrophobicContact CD2-CG1 4.15Å; L185-V188 HydrophobicContact CB-CB 4.49Å; L185-V188 HydrophobicContact CB-CG2 4.05Å; L185-V188 HydrophobicContact CD1-CG2 4.29Å; L185-V188 PolarHBondContact O-N 2.95Å; D186-V188 VanDerWaalsContact C-N 3.29Å; D186-V188 PolarHBondContact O-N 2.63Å
189T98.4Very high97.8Very high0 Ų032.7 Ų32.70%015%0.154CC..EExtended strand (participates in β ladder)trans-110.9-22-176.8570000112.4Q28 K30 L31 N135 H140 K141 L401Q28-T189 HydrophobicContact CG-CG2 3.56Å; K30-T189 CarbonylContact C-O 3.56Å; K30-T189 WeakPolarHBondContact CA-O 3.45Å; K30-T189 WeakPolarHBondContact CB-O 3.43Å; L31-T189 PolarHBondContact N-O 2.77Å; N135-T189 PolarHBondContact ND2-OG1 3.32Å; N135-T189 PolarHBondContact OD1-OG1 3.37Å; H140-T189 HydrophobicContact CB-CG2 3.97Å; H140-T189 VanDerWaalsContact CB-OG1 3.26Å; H140-T189 WeakPolarHBondContact CB-OG1 3.27Å; K141-T189 PolarHBondContact O-N 2.65Å; K141-T189 VanDerWaalsContact O-N 3.07Å; T189-L401 WeakPolarHBondContact O-CD2 3.33Å
190L98.9Very high97.8Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-121127.5-177.5174.466000110.8L31 I131 W132 N135 S142 A143 L192 L401L31-L190 HydrophobicContact CB-CD1 4.31Å; L31-L190 HydrophobicContact CD2-CD1 4.12Å; L31-L190 HydrophobicContact CG-CD1 4.29Å; L31-L190 CarbonylContact O-C 3.58Å; L31-L190 WeakPolarHBondContact O-CA 3.21Å; I131-L190 HydrophobicContact CG1-CD2 4.17Å; I131-L190 HydrophobicContact CG2-CD2 3.88Å; W132-L190 HydrophobicContact CB-CD2 4.18Å; N135-L190 HydrophobicContact CB-CD2 4.35Å; S142-L190 CarbonylContact C-O 3.53Å; S142-L190 WeakPolarHBondContact CA-O 3.28Å; A143-L190 PolarHBondContact N-O 3.34Å; L190-L192 HydrophobicContact CD1-CD2 3.91Å; L190-L192 HydrophobicContact CD1-CG 4.1Å; L190-L192 HydrophobicContact CD2-CD1 4.42Å; L190-L192 HydrophobicContact CD2-CG 4.34Å; L190-L192 HydrophobicContact CG-CG 4.21Å; L190-L401 HydrophobicContact CB-CD1 4.3Å; L190-L401 HydrophobicContact CD1-CD1 4.2Å
191G98.8Very high97.8Very high0 Ų035.9 Ų35.90%017%0.172CC..EExtended strand (participates in β ladder)trans-115.2132165.800000110L31 L32 V33 A143L31-G191 PolarHBondContact O-N 3.41Å; L32-G191 CarbonylContact C-O 3.43Å; L32-G191 VanDerWaalsContact CA-O 3.32Å; L32-G191 WeakPolarHBondContact CA-O 3.32Å; V33-G191 PolarHBondContact N-O 2.97Å; A143-G191 CarbonylContact O-C 3.53Å; A143-G191 VanDerWaalsContact O-CA 3.26Å; A143-G191 WeakPolarHBondContact O-CA 3.29Å
192L98.9Very high97.9Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-125.6131.4171.7-66.8-178.2000108.6V33 V86 I131 W132 A143 V144 T145 W147 L190V33-L192 HydrophobicContact CB-CD2 3.54Å; V33-L192 HydrophobicContact CG1-CD2 4.45Å; V33-L192 HydrophobicContact CG2-CD2 3.72Å; V33-L192 CarbonylContact O-C 3.59Å; V33-L192 WeakPolarHBondContact O-CA 3.41Å; V86-L192 HydrophobicContact CG1-CD1 4.14Å; I131-L192 HydrophobicContact CG2-CD1 3.98Å; W132-L192 HydrophobicContact CE3-CD1 3.53Å; W132-L192 HydrophobicContact CZ3-CD1 3.88Å; A143-L192 PolarHBondContact O-N 2.93Å; V144-L192 HydrophobicContact CB-CB 4.42Å; V144-L192 HydrophobicContact CG1-CB 4.04Å; V144-L192 HydrophobicContact CG1-CD1 4.31Å; V144-L192 HydrophobicContact CG2-CB 4.21Å; V144-L192 HydrophobicContact CG2-CD1 4.05Å; V144-L192 HydrophobicContact CG2-CG 4.38Å; T145-L192 PolarHBondContact N-O 2.98Å; W147-L192 HydrophobicContact CD2-CB 4.33Å; W147-L192 HydrophobicContact CD2-CD1 4.35Å; W147-L192 HydrophobicContact CE3-CB 3.67Å; W147-L192 HydrophobicContact CE3-CD1 4.39Å; W147-L192 HydrophobicContact CE3-CD2 4.36Å; W147-L192 HydrophobicContact CE3-CG 4.36Å; W147-L192 HydrophobicContact CH2-CD2 4.47Å; W147-L192 HydrophobicContact CZ3-CB 4.11Å; W147-L192 HydrophobicContact CZ3-CD2 4.09Å; L190-L192 HydrophobicContact CD1-CD2 3.91Å; L190-L192 HydrophobicContact CD1-CG 4.1Å; L190-L192 HydrophobicContact CD2-CD1 4.42Å; L190-L192 HydrophobicContact CD2-CG 4.34Å; L190-L192 HydrophobicContact CG-CG 4.21Å
193I98.8Very high97.8Very high0 Ų028.3 Ų28.30%014%0.138CC..EExtended strand (participates in β ladder)trans-128.8127.8177.1-59.3177000108.1L32 V33 I34 S35 L172 R175 I176 T179L32-I193 HydrophobicContact CD1-CD1 3.93Å; L32-I193 HydrophobicContact CD1-CG1 4.1Å; V33-I193 PolarHBondContact O-N 3.07Å; I34-I193 CarbonylContact C-O 3.36Å; I34-I193 WeakPolarHBondContact CA-O 3.36Å; I34-I193 HydrophobicContact CD1-CD1 4.26Å; I34-I193 HydrophobicContact CG1-CB 4.23Å; I34-I193 HydrophobicContact CG1-CD1 4.27Å; I34-I193 HydrophobicContact CG2-CB 4.26Å; I34-I193 HydrophobicContact CG2-CG2 4.28Å; S35-I193 PolarHBondContact N-O 3.27Å; L172-I193 HydrophobicContact CD1-CG2 4.01Å; R175-I193 HydrophobicContact CB-CG2 3.87Å; I176-I193 HydrophobicContact CG1-CD1 4.2Å; T179-I193 HydrophobicContact CG2-CD1 4.24Å; T179-I193 HydrophobicContact CG2-CG1 4.23Å
194Y98.6Very high97.8Very high25 Ų2534 Ų3410%0.09817%0.168CC..EExtended strand (participates in β ladder)trans-100.6140.4163.9162.5-106.3000109.5D37 T78 H82 T145 F146 Y166 R175D37-Y194 HydrophobicContact CB-CE2 3.8Å; D37-Y194 VanDerWaalsContact OD2-CE2 3.27Å; D37-Y194 WeakPolarHBondContact OD2-CE2 3.47Å; D37-Y194 PolarHBondContact OD2-OH 3.42Å; T78-Y194 HydrophobicContact CG2-CE2 4.21Å; H82-Y194 AromaticContact CE1-CD2 3.73Å; H82-Y194 AromaticContact CE1-CE2 3.69Å; H82-Y194 AromaticContact NE2-CD2 3.33Å; H82-Y194 VanDerWaalsContact NE2-CD2 3.33Å; H82-Y194 WeakPolarHBondContact NE2-CD2 3.45Å; H82-Y194 AromaticContact NE2-CE2 3.8Å; T145-Y194 PolarHBondContact O-N 3.48Å; F146-Y194 HydrophobicContact CB-CD1 4.04Å; F146-Y194 VanDerWaalsContact O-CD1 3.27Å; F146-Y194 WeakPolarHBondContact O-CD1 3.26Å; Y166-Y194 HydrophobicContact CD2-CE1 4.47Å; Y166-Y194 AromaticContact CE2-CD1 3.8Å; Y166-Y194 HydrophobicContact CE2-CD1 3.8Å; Y166-Y194 AromaticContact CE2-CE1 3.52Å; Y166-Y194 HydrophobicContact CE2-CE1 3.52Å; Y166-Y194 AromaticContact CZ-CE1 3.82Å; R175-Y194 PolarHBondContact NH1-O 3.21Å
195F98.8Very high98Very high16 Ų1633.4 Ų33.47%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-139.8138.1172.5-166.8-114.5000110.3S35 L36 D37 L172 E197 L219S35-F195 PolarHBondContact O-N 3Å; L36-F195 HydrophobicContact CD2-CB 4.02Å; L36-F195 HydrophobicContact CD2-CD1 4.25Å; D37-F195 VanDerWaalsContact CB-O 3.31Å; D37-F195 WeakPolarHBondContact CB-O 3.28Å; D37-F195 PolarHBondContact N-O 3.22Å; L172-F195 HydrophobicContact CB-CD1 4.11Å; L172-F195 HydrophobicContact CB-CD2 3.77Å; L172-F195 HydrophobicContact CB-CE1 4.03Å; L172-F195 HydrophobicContact CB-CE2 3.73Å; L172-F195 HydrophobicContact CB-CG 3.99Å; L172-F195 HydrophobicContact CB-CZ 3.86Å; L172-F195 HydrophobicContact CD1-CB 4.06Å; L172-F195 HydrophobicContact CD1-CD2 4.3Å; L172-F195 HydrophobicContact CD1-CG 4.1Å; L172-F195 HydrophobicContact CD2-CD1 4.15Å; L172-F195 HydrophobicContact CD2-CG 4.39Å; L172-F195 HydrophobicContact CG-CG 4.38Å; F195-E197 VanDerWaalsContact C-N 3.32Å; F195-E197 HydrophobicContact CD1-CB 3.93Å; F195-E197 HydrophobicContact CE1-CB 3.65Å; F195-E197 HydrophobicContact CE1-CG 3.85Å; F195-E197 HydrophobicContact CZ-CG 4.38Å; F195-E197 PolarHBondContact O-N 2.73Å; F195-L219 HydrophobicContact CD1-CD2 3.74Å; F195-L219 HydrophobicContact CE1-CD2 3.72Å
196H98.3Very high98.1Very high19 Ų1930.5 Ų30.59%0.08815%0.153CC..  trans-83.2-1.3-165.560.3-90.3000115.2H168 D199 S200H168-H196 AromaticContact CE1-CD2 3.3Å; H168-H196 PolarHBondContact CE1-CD2 3.15Å; H168-H196 AromaticContact CE1-CG 3.29Å; H168-H196 AromaticContact CE1-ND1 3.75Å; H168-H196 AromaticContact CE1-NE2 3.79Å; H168-H196 AromaticContact ND1-CD2 4Å; H168-H196 AromaticContact ND1-CG 3.59Å; H168-H196 AromaticContact ND1-ND1 3.66Å; H168-H196 AromaticContact NE2-CD2 3.79Å; H168-H196 AromaticContact NE2-NE2 3.92Å; H168-H196 PolarHBondContact O-CE1 3.07Å; H196-D199 PolarHBondContact O-N 3.4Å; H196-S200 PolarHBondContact CD2-OG 3.48Å; H196-S200 PolarHBondContact O-N 3.39Å; H196-S200 VanDerWaalsContact O-N 3.15Å; H196-S200 PolarHBondContact O-OG 2.8Å
197E98.8Very high98.3Very high32 Ų3223.7 Ų23.715%0.1512%0.117CC..THydrogen-bonded Turntrans-106.8148.9178.8-69.2-63.8179.600110.3L36 D37 F195 Q201 V215 L219L36-E197 CarbonylContact C-O 3.57Å; L36-E197 WeakPolarHBondContact CB-O 3.5Å; D37-E197 PolarHBondContact N-O 2.86Å; D37-E197 CarbonylContact O-C 3.55Å; F195-E197 VanDerWaalsContact C-N 3.32Å; F195-E197 HydrophobicContact CD1-CB 3.93Å; F195-E197 HydrophobicContact CE1-CB 3.65Å; F195-E197 HydrophobicContact CE1-CG 3.85Å; F195-E197 HydrophobicContact CZ-CG 4.38Å; F195-E197 PolarHBondContact O-N 2.73Å; E197-Q201 WeakPolarHBondContact OE2-CB 3.26Å; E197-Q201 PolarHBondContact OE2-N 3.28Å; E197-Q201 VanDerWaalsContact OE2-N 3.14Å; E197-V215 HydrophobicContact CB-CG1 3.69Å; E197-V215 HydrophobicContact CG-CG1 4.05Å; E197-L219 HydrophobicContact CB-CD1 4.46Å
198P98.6Very high98.4Very high1 Ų122.6 Ų22.61%0.00612%0.119CC..THydrogen-bonded Turncis-85.76.56.135.3-38.6000116.4D37 F39 Y43 S200 Q201 G202 I212 V215D37-P198 WeakPolarHBondContact O-CD 3.4Å; D37-P198 VanDerWaalsContact O-N 3.17Å; F39-P198 HydrophobicContact CB-CG 4.02Å; F39-P198 HydrophobicContact CD2-CG 4.08Å; F39-P198 HydrophobicContact CG-CG 4.12Å; Y43-P198 HydrophobicContact CD2-CG 4.01Å; Y43-P198 HydrophobicContact CE2-CB 4.46Å; Y43-P198 HydrophobicContact CE2-CG 3.68Å; P198-S200 PolarHBondContact O-N 2.93Å; P198-Q201 PolarHBondContact O-N 2.93Å; P198-G202 PolarHBondContact O-N 2.71Å; P198-I212 HydrophobicContact CB-CD1 4.01Å; P198-V215 HydrophobicContact CB-CG1 3.97Å
199D98.7Very high98.3Very high11 Ų1123.4 Ų23.46%0.05913%0.125CC..Hα-helixtrans-53-49.1-177.3-178.173000113.6D37 H196 Q201 G202 H203 H248 M250 H354D37-D199 HydrophobicContact CB-CB 3.82Å; D37-D199 WeakPolarHBondContact O-CB 3.24Å; D37-D199 PolarHBondContact O-N 2.8Å; H196-D199 PolarHBondContact O-N 3.4Å; D199-Q201 PolarHBondContact O-N 3.1Å; D199-G202 CarbonylContact O-C 3.52Å; D199-G202 WeakPolarHBondContact O-CA 3.49Å; D199-G202 PolarHBondContact O-N 3.27Å; D199-H203 PolarHBondContact O-N 3.27Å; D199-H203 IonicContact OD1-CD2 2.66Å; D199-H203 IonicContact OD1-NE2 3.56Å; D199-H203 IonicContact OD2-CD2 3.28Å; D199-H203 PolarHBondContact OD2-CD2 2.88Å; D199-H203 VanDerWaalsContact OD2-CD2 3.23Å; D199-H203 IonicContact OD2-NE2 3.45Å; D199-H203 PolarHBondContact OD2-NE2 2.79Å; D199-H248 IonicContact OD1-CE1 3.52Å; D199-H248 PolarHBondContact OD1-CE1 3.06Å; D199-M250 WeakPolarHBondContact OD1-CE 3.48Å; D199-H354 IonicContact OD1-CD2 3.77Å; D199-H354 IonicContact OD1-NE2 3.64Å; D199-H354 PolarHBondContact OD1-NE2 3.33Å
200S98.4Very high98.3Very high29 Ų2927.9 Ų27.920%0.20315%0.148CC..Hα-helixtrans-59.6-46.4-178.3-64.20000111.6H196 P198 G202 L204H196-S200 PolarHBondContact CD2-OG 3.48Å; H196-S200 PolarHBondContact O-N 3.39Å; H196-S200 VanDerWaalsContact O-N 3.15Å; H196-S200 PolarHBondContact O-OG 2.8Å; P198-S200 PolarHBondContact O-N 2.93Å; S200-G202 VanDerWaalsContact C-N 3.28Å; S200-G202 PolarHBondContact O-N 2.81Å; S200-L204 WeakPolarHBondContact O-CG 3.45Å; S200-L204 PolarHBondContact O-N 3.31Å
201Q98.6Very high98.3Very high37 Ų3731.6 Ų31.617%0.17317%0.165CC..Hα-helixtrans-64.1-34.4173.1-171.560.454.700112.4E197 P198 D199 L204 T205 E211 I212 V215E197-Q201 WeakPolarHBondContact OE2-CB 3.26Å; E197-Q201 PolarHBondContact OE2-N 3.28Å; E197-Q201 VanDerWaalsContact OE2-N 3.14Å; P198-Q201 PolarHBondContact O-N 2.93Å; D199-Q201 PolarHBondContact O-N 3.1Å; Q201-L204 PolarHBondContact O-N 3.21Å; Q201-T205 PolarHBondContact NE2-OG1 3.21Å; Q201-T205 PolarHBondContact O-N 3.17Å; Q201-T205 PolarHBondContact O-OG1 3.47Å; Q201-E211 HydrophobicContact CG-CB 3.96Å; Q201-I212 HydrophobicContact CB-CD1 3.88Å; Q201-I212 HydrophobicContact CG-CD1 3.9Å; Q201-I212 HydrophobicContact CG-CG1 4.38Å; Q201-V215 HydrophobicContact CB-CG2 3.93Å; Q201-V215 HydrophobicContact CG-CG2 3.82Å
202G98.5Very high98.3Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-65.7-43.5-178.600000111.9P198 D199 S200 L204 G206 I212 G352P198-G202 PolarHBondContact O-N 2.71Å; D199-G202 CarbonylContact O-C 3.52Å; D199-G202 WeakPolarHBondContact O-CA 3.49Å; D199-G202 PolarHBondContact O-N 3.27Å; S200-G202 VanDerWaalsContact C-N 3.28Å; S200-G202 PolarHBondContact O-N 2.81Å; G202-L204 VanDerWaalsContact C-N 3.31Å; G202-L204 PolarHBondContact O-N 3.36Å; G202-G206 WeakPolarHBondContact O-CA 3.36Å; G202-G206 PolarHBondContact O-N 3.5Å; G202-I212 VanDerWaalsContact CA-CD1 3.49Å; G202-G352 VanDerWaalsContact O-CA 3.31Å; G202-G352 WeakPolarHBondContact O-CA 2.87Å; G202-G352 PolarHBondContact O-N 3.03Å; G202-G352 VanDerWaalsContact O-N 3.16Å
203H98Very high98.2Very high38 Ų3831.6 Ų31.618%0.17617%0.165CC..Hα-helixtrans-59.7-40.8172.1-81.2-49.9000112.9D199 K350 R351 G352 D353 H354D199-H203 PolarHBondContact O-N 3.27Å; D199-H203 IonicContact OD1-CD2 2.66Å; D199-H203 IonicContact OD1-NE2 3.56Å; D199-H203 IonicContact OD2-CD2 3.28Å; D199-H203 PolarHBondContact OD2-CD2 2.88Å; D199-H203 VanDerWaalsContact OD2-CD2 3.23Å; D199-H203 IonicContact OD2-NE2 3.45Å; D199-H203 PolarHBondContact OD2-NE2 2.79Å; H203-K350 WeakPolarHBondContact O-CA 3.37Å; H203-R351 PolarHBondContact O-N 3.01Å; H203-G352 WeakPolarHBondContact CA-O 3.34Å; H203-G352 PolarHBondContact ND1-O 2.67Å; H203-G352 PolarHBondContact O-N 3.08Å; H203-D353 IonicContact CE1-OD1 2.91Å; H203-D353 PolarHBondContact CE1-OD1 2.95Å; H203-H354 AromaticContact CE1-CD2 3.4Å; H203-H354 PolarHBondContact CE1-CD2 3.47Å; H203-H354 VanDerWaalsContact CE1-CD2 3.4Å; H203-H354 AromaticContact CE1-NE2 3.44Å; H203-H354 PolarHBondContact CE1-NE2 2.75Å; H203-H354 AromaticContact NE2-CD2 3.61Å; H203-H354 AromaticContact NE2-NE2 3.22Å; H203-H354 PolarHBondContact NE2-NE2 3.11Å
204L98Very high98.2Very high121 Ų12135.8 Ų35.863%0.63419%0.188SC*.Hα-helixtrans-73.4-43.8-176.2-67.1175000113.1S200 Q201 G202 R351S200-L204 WeakPolarHBondContact O-CG 3.45Å; S200-L204 PolarHBondContact O-N 3.31Å; Q201-L204 PolarHBondContact O-N 3.21Å; G202-L204 VanDerWaalsContact C-N 3.31Å; G202-L204 PolarHBondContact O-N 3.36Å; L204-R351 VanDerWaalsContact O-CG 3.32Å; L204-R351 WeakPolarHBondContact O-CG 3.39Å
205T98Very high98.2Very high46 Ų4635.6 Ų35.628%0.28219%0.189SC..Hα-helixtrans-119.5-12.2-167.555.90000114.8Q201 S209 E211 R351Q201-T205 PolarHBondContact NE2-OG1 3.21Å; Q201-T205 PolarHBondContact O-N 3.17Å; Q201-T205 PolarHBondContact O-OG1 3.47Å; T205-S209 WeakPolarHBondContact CB-OG 3.23Å; T205-S209 WeakPolarHBondContact O-CB 3.44Å; T205-S209 PolarHBondContact OG1-OG 2.91Å; T205-E211 HydrophobicContact CG2-CB 4.27Å; T205-E211 HydrophobicContact CG2-CG 4.14Å; T205-R351 VanDerWaalsContact C-CB 3.44Å
206G98.1Very high98.2Very high6 Ų634.9 Ų34.96%0.06219%0.186CC..  trans90.6157-176.100000112.1G202 D208 S209 I212 R351G202-G206 WeakPolarHBondContact O-CA 3.36Å; G202-G206 PolarHBondContact O-N 3.5Å; G206-D208 VanDerWaalsContact C-N 3.28Å; G206-D208 PolarHBondContact O-N 2.92Å; G206-S209 WeakPolarHBondContact O-CB 3.46Å; G206-S209 PolarHBondContact O-N 2.83Å; G206-S209 PolarHBondContact O-OG 3.36Å; G206-I212 VanDerWaalsContact O-CG1 3.31Å; G206-I212 WeakPolarHBondContact O-CG1 3.3Å; G206-R351 WeakPolarHBondContact CA-O 3.43Å
207P97.9Very high98.2Very high2 Ų237.4 Ų37.41%0.01320%0.198CC..THydrogen-bonded Turntrans-69.2-21.1-170.527.8-36.5000114.6Y43 M250Y43-P207 HydrophobicContact CE1-CB 4.07Å; Y43-P207 WeakPolarHBondContact CE1-O 3.37Å; Y43-P207 WeakPolarHBondContact OH-CA 3.34Å; Y43-P207 VanDerWaalsContact OH-CB 3.27Å; Y43-P207 WeakPolarHBondContact OH-CB 3.41Å; P207-M250 HydrophobicContact CB-CB 4.08Å; P207-M250 HydrophobicContact CB-CG 3.82Å; P207-M250 HydrophobicContact CG-CG 4.24Å
208D96.3Very high98.2Very high91 Ų9142.6 Ų42.649%0.48722%0.22SC..THydrogen-bonded Turntrans-102.67-176.4-53.9-52.3000113.1R40 G206R40-D208 IonicContact NH1-OD1 3.32Å; R40-D208 IonicContact NH2-OD1 3.19Å; R40-D208 PolarHBondContact NH2-OD1 3.41Å; G206-D208 VanDerWaalsContact C-N 3.28Å; G206-D208 PolarHBondContact O-N 2.92Å
209S97.8Very high98.3Very high18 Ų1842.7 Ų42.713%0.12622%0.22CC..SBendtrans-68.7157.8-178.578.80000112.1T205 G206 E211 I212 Y213T205-S209 WeakPolarHBondContact CB-OG 3.23Å; T205-S209 WeakPolarHBondContact O-CB 3.44Å; T205-S209 PolarHBondContact OG1-OG 2.91Å; G206-S209 WeakPolarHBondContact O-CB 3.46Å; G206-S209 PolarHBondContact O-N 2.83Å; G206-S209 PolarHBondContact O-OG 3.36Å; S209-E211 VanDerWaalsContact CB-OE2 3.23Å; S209-E211 WeakPolarHBondContact CB-OE2 3.46Å; S209-E211 PolarHBondContact O-N 3.32Å; S209-E211 PolarHBondContact OG-OE2 2.82Å; S209-I212 PolarHBondContact O-N 3.39Å; S209-I212 WeakPolarHBondContact OG-CG1 3.13Å; S209-I212 PolarHBondContact OG-N 3.27Å; S209-Y213 WeakPolarHBondContact O-CD2 3.28Å; S209-Y213 VanDerWaalsContact O-CE2 3.23Å; S209-Y213 WeakPolarHBondContact O-CE2 3.42Å
210I97.6Very high98.3Very high94 Ų9442.2 Ų42.248%0.48222%0.218SC..Hα-helixtrans-67.3-30.8176-171.858.7000111I212 Y213 N214I210-I212 VanDerWaalsContact C-N 3.32Å; I210-I212 PolarHBondContact O-N 2.88Å; I210-Y213 PolarHBondContact O-N 3.35Å; I210-N214 PolarHBondContact O-N 3.15Å; I210-N214 VanDerWaalsContact O-N 3.13Å
211E98.6Very high98.3Very high77 Ų7745.2 Ų45.236%0.3623%0.232SC..Hα-helixtrans-63.7-35.5-179.5-6381.2176.200112.2Q201 T205 S209 Y213 N214 V215Q201-E211 HydrophobicContact CG-CB 3.96Å; T205-E211 HydrophobicContact CG2-CB 4.27Å; T205-E211 HydrophobicContact CG2-CG 4.14Å; S209-E211 VanDerWaalsContact CB-OE2 3.23Å; S209-E211 WeakPolarHBondContact CB-OE2 3.46Å; S209-E211 PolarHBondContact O-N 3.32Å; S209-E211 PolarHBondContact OG-OE2 2.82Å; E211-Y213 VanDerWaalsContact C-N 3.26Å; E211-Y213 PolarHBondContact O-N 2.71Å; E211-N214 PolarHBondContact O-N 2.83Å; E211-V215 WeakPolarHBondContact O-CG2 3.38Å; E211-V215 PolarHBondContact O-N 3.41Å
212I98.4Very high98.3Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-58.6-40.8172.5-72.7-68000111.2Y43 P198 Q201 G202 G206 S209 I210 V215 I216Y43-I212 HydrophobicContact CD1-CG2 4.4Å; Y43-I212 HydrophobicContact CE1-CG2 4.1Å; Y43-I212 HydrophobicContact CE2-CG2 4.23Å; P198-I212 HydrophobicContact CB-CD1 4.01Å; Q201-I212 HydrophobicContact CB-CD1 3.88Å; Q201-I212 HydrophobicContact CG-CD1 3.9Å; Q201-I212 HydrophobicContact CG-CG1 4.38Å; G202-I212 VanDerWaalsContact CA-CD1 3.49Å; G206-I212 VanDerWaalsContact O-CG1 3.31Å; G206-I212 WeakPolarHBondContact O-CG1 3.3Å; S209-I212 PolarHBondContact O-N 3.39Å; S209-I212 WeakPolarHBondContact OG-CG1 3.13Å; S209-I212 PolarHBondContact OG-N 3.27Å; I210-I212 VanDerWaalsContact C-N 3.32Å; I210-I212 PolarHBondContact O-N 2.88Å; I212-V215 WeakPolarHBondContact O-CB 3.5Å; I212-V215 PolarHBondContact O-N 2.91Å; I212-I216 HydrophobicContact CG2-CD1 3.75Å; I212-I216 HydrophobicContact CG2-CG1 4.47Å; I212-I216 VanDerWaalsContact O-CG1 3.32Å; I212-I216 WeakPolarHBondContact O-CG1 3.45Å; I212-I216 PolarHBondContact O-N 3.49Å
213Y98.4Very high98.3Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-73.3-31.6-179.5-60-68.8000112.9H46 A47 R50 I52 S209 I210 E211 V215 I216 E217H46-Y213 HydrophobicContact CB-CE1 3.71Å; H46-Y213 WeakPolarHBondContact CB-OH 3.44Å; A47-Y213 HydrophobicContact CB-CD1 3.91Å; A47-Y213 HydrophobicContact CB-CE1 4.34Å; R50-Y213 VanDerWaalsContact NE-CE2 3.34Å; R50-Y213 PolarHBondContact NH1-OH 3.18Å; I52-Y213 HydrophobicContact CG1-CG 4.44Å; S209-Y213 WeakPolarHBondContact O-CD2 3.28Å; S209-Y213 VanDerWaalsContact O-CE2 3.23Å; S209-Y213 WeakPolarHBondContact O-CE2 3.42Å; I210-Y213 PolarHBondContact O-N 3.35Å; E211-Y213 VanDerWaalsContact C-N 3.26Å; E211-Y213 PolarHBondContact O-N 2.71Å; Y213-V215 VanDerWaalsContact C-N 3.3Å; Y213-I216 HydrophobicContact CD1-CD1 3.96Å; Y213-I216 HydrophobicContact CE1-CD1 4.37Å; Y213-I216 PolarHBondContact O-N 3.05Å; Y213-E217 PolarHBondContact O-N 2.97Å
214N98.5Very high98.4Very high89 Ų8943.7 Ų43.748%0.47623%0.231SC..Hα-helixtrans-62.9-39.6169.9-63.5-18.9000111.1I210 E211 E217 K218I210-N214 PolarHBondContact O-N 3.15Å; I210-N214 VanDerWaalsContact O-N 3.13Å; E211-N214 PolarHBondContact O-N 2.83Å; N214-E217 PolarHBondContact O-N 3.33Å; N214-K218 PolarHBondContact O-N 3.01Å; N214-K218 VanDerWaalsContact O-N 3.11Å
215V98.7Very high98.4Very high21 Ų2142 Ų4213%0.12722%0.217CC..Hα-helixtrans-66.1-42.5174.6170.80000111.2E197 P198 Q201 E211 I212 Y213 E217 K218 L219E197-V215 HydrophobicContact CB-CG1 3.69Å; E197-V215 HydrophobicContact CG-CG1 4.05Å; P198-V215 HydrophobicContact CB-CG1 3.97Å; Q201-V215 HydrophobicContact CB-CG2 3.93Å; Q201-V215 HydrophobicContact CG-CG2 3.82Å; E211-V215 WeakPolarHBondContact O-CG2 3.38Å; E211-V215 PolarHBondContact O-N 3.41Å; I212-V215 WeakPolarHBondContact O-CB 3.5Å; I212-V215 PolarHBondContact O-N 2.91Å; Y213-V215 VanDerWaalsContact C-N 3.3Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 3Å; V215-K218 PolarHBondContact O-N 3.11Å; V215-L219 HydrophobicContact CG1-CD1 3.98Å; V215-L219 HydrophobicContact CG1-CG 4.35Å; V215-L219 VanDerWaalsContact O-CG 3.29Å; V215-L219 WeakPolarHBondContact O-CG 3.26Å; V215-L219 PolarHBondContact O-N 3.05Å
216I98.8Very high98.4Very high0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-61.4-40.4175.9-69.4161.3000111.6F39 Y43 A47 I54 F57 I212 Y213 L219 N220F39-I216 HydrophobicContact CE2-CG1 4.23Å; F39-I216 HydrophobicContact CZ-CG1 4.07Å; F39-I216 HydrophobicContact CZ-CG2 4.28Å; Y43-I216 HydrophobicContact CD2-CD1 4.17Å; Y43-I216 HydrophobicContact CG-CD1 3.95Å; A47-I216 HydrophobicContact CB-CG2 4.21Å; I54-I216 HydrophobicContact CG2-CG2 4Å; F57-I216 HydrophobicContact CE2-CG2 4.49Å; I212-I216 HydrophobicContact CG2-CD1 3.75Å; I212-I216 HydrophobicContact CG2-CG1 4.47Å; I212-I216 VanDerWaalsContact O-CG1 3.32Å; I212-I216 WeakPolarHBondContact O-CG1 3.45Å; I212-I216 PolarHBondContact O-N 3.49Å; Y213-I216 HydrophobicContact CD1-CD1 3.96Å; Y213-I216 HydrophobicContact CE1-CD1 4.37Å; Y213-I216 PolarHBondContact O-N 3.05Å; I216-L219 PolarHBondContact O-N 3.29Å; I216-N220 WeakPolarHBondContact O-CB 3.43Å; I216-N220 PolarHBondContact O-N 3.33Å
217E98.7Very high98.5Very high73 Ų7339.9 Ų39.934%0.34120%0.203SC..Hα-helixtrans-62.6-43.4175.5-171.9161.1-119.900111.7I52 N53 Y213 N214 V215 L219 N220 D221I52-E217 HydrophobicContact CG2-CB 3.84Å; I52-E217 HydrophobicContact CG2-CG 4.44Å; N53-E217 HydrophobicContact CB-CG 4.3Å; N53-E217 WeakPolarHBondContact CB-OE1 3.07Å; N53-E217 PolarHBondContact N-OE1 3.48Å; Y213-E217 PolarHBondContact O-N 2.97Å; N214-E217 PolarHBondContact O-N 3.33Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 3Å; E217-L219 PolarHBondContact O-N 3.22Å; E217-N220 VanDerWaalsContact O-CB 3.27Å; E217-N220 WeakPolarHBondContact O-CB 3.13Å; E217-N220 PolarHBondContact O-N 3.44Å; E217-N220 VanDerWaalsContact O-N 3.15Å; E217-D221 PolarHBondContact O-N 2.95Å; E217-D221 VanDerWaalsContact O-N 3.12Å
218K98.7Very high98.5Very high141 Ų14142.2 Ų42.261%0.61322%0.219SC*.Hα-helixtrans-63.1-43.3174.2-176.2173.4-179.8178.90112.5N214 V215 N220 D221 D222N214-K218 PolarHBondContact O-N 3.01Å; N214-K218 VanDerWaalsContact O-N 3.11Å; V215-K218 PolarHBondContact O-N 3.11Å; K218-N220 PolarHBondContact O-N 3.48Å; K218-D221 PolarHBondContact O-N 2.79Å; K218-D221 VanDerWaalsContact O-N 3.15Å; K218-D222 PolarHBondContact O-N 2.81Å
219L98.9Very high98.6Very high3 Ų338.6 Ų38.62%0.01620%0.199CC..Hα-helixtrans-60.5-37.3174.1-70.2169.4000110.9L36 F39 F57 L172 F195 E197 V215 I216 E217 D221 D222 I223L36-L219 HydrophobicContact CD1-CD1 4.28Å; L36-L219 HydrophobicContact CD1-CD2 4.45Å; L36-L219 HydrophobicContact CD2-CD2 4Å; F39-L219 HydrophobicContact CD2-CD1 4.16Å; F39-L219 HydrophobicContact CE2-CD1 4.03Å; F57-L219 HydrophobicContact CE2-CB 4.43Å; F57-L219 HydrophobicContact CZ-CB 4.07Å; L172-L219 HydrophobicContact CD2-CD2 3.69Å; F195-L219 HydrophobicContact CD1-CD2 3.74Å; F195-L219 HydrophobicContact CE1-CD2 3.72Å; E197-L219 HydrophobicContact CB-CD1 4.46Å; V215-L219 HydrophobicContact CG1-CD1 3.98Å; V215-L219 HydrophobicContact CG1-CG 4.35Å; V215-L219 VanDerWaalsContact O-CG 3.29Å; V215-L219 WeakPolarHBondContact O-CG 3.26Å; V215-L219 PolarHBondContact O-N 3.05Å; I216-L219 PolarHBondContact O-N 3.29Å; E217-L219 PolarHBondContact O-N 3.22Å; L219-D221 VanDerWaalsContact C-N 3.32Å; L219-D221 PolarHBondContact O-N 3.12Å; L219-D222 PolarHBondContact O-N 3.01Å; L219-I223 WeakPolarHBondContact O-CB 3.3Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.43Å; L219-I223 PolarHBondContact O-N 3.43Å
220N98.9Very high98.5Very high1 Ų138.5 Ų38.51%0.00520%0.197CC..Hα-helixtrans-60.3-41.3174.8173.380.8000112.2N53 I54 S55 S56 F57 I216 E217 K218 I223 G224N53-N220 PolarHBondContact ND2-ND2 3.47Å; N53-N220 VanDerWaalsContact O-CB 3.26Å; N53-N220 WeakPolarHBondContact O-CB 3.27Å; N53-N220 PolarHBondContact O-ND2 2.89Å; I54-N220 VanDerWaalsContact CA-OD1 3.23Å; I54-N220 WeakPolarHBondContact CA-OD1 3.4Å; S55-N220 PolarHBondContact N-OD1 2.83Å; S56-N220 WeakPolarHBondContact CA-OD1 3.37Å; S56-N220 WeakPolarHBondContact CB-O 3.33Å; S56-N220 WeakPolarHBondContact CB-OD1 3.26Å; S56-N220 PolarHBondContact N-OD1 3.04Å; S56-N220 PolarHBondContact OG-O 2.95Å; S56-N220 PolarHBondContact OG-OD1 2.83Å; F57-N220 HydrophobicContact CD2-CB 3.93Å; F57-N220 HydrophobicContact CE2-CB 3.75Å; I216-N220 WeakPolarHBondContact O-CB 3.43Å; I216-N220 PolarHBondContact O-N 3.33Å; E217-N220 VanDerWaalsContact O-CB 3.27Å; E217-N220 WeakPolarHBondContact O-CB 3.13Å; E217-N220 PolarHBondContact O-N 3.44Å; E217-N220 VanDerWaalsContact O-N 3.15Å; K218-N220 PolarHBondContact O-N 3.48Å; N220-I223 PolarHBondContact O-N 2.82Å; N220-G224 PolarHBondContact O-N 3.28Å
221D98.9Very high98.5Very high92 Ų9236.7 Ų36.749%0.49219%0.189SC..Hα-helixtrans-66.9-43.5177.1-67.6-15.8000111.6E217 K218 L219 I223 G224 Y225E217-D221 PolarHBondContact O-N 2.95Å; E217-D221 VanDerWaalsContact O-N 3.12Å; K218-D221 PolarHBondContact O-N 2.79Å; K218-D221 VanDerWaalsContact O-N 3.15Å; L219-D221 VanDerWaalsContact C-N 3.32Å; L219-D221 PolarHBondContact O-N 3.12Å; D221-I223 VanDerWaalsContact C-N 3.33Å; D221-I223 PolarHBondContact O-N 2.87Å; D221-G224 CarbonylContact O-C 3.53Å; D221-G224 WeakPolarHBondContact O-CA 3.46Å; D221-G224 PolarHBondContact O-N 2.93Å; D221-Y225 PolarHBondContact O-N 3.12Å
222D98.9Very high98.4Very high21 Ų2138 Ų3811%0.11220%0.202CC..Hα-helixtrans-61.9-39.9176.6-68.6-10.6000111.8L172 V173 K218 L219 Y225 L226L172-D222 HydrophobicContact CB-CB 4.47Å; L172-D222 WeakPolarHBondContact CB-OD2 3.27Å; L172-D222 HydrophobicContact CD2-CB 3.91Å; L172-D222 HydrophobicContact CG-CB 4.23Å; V173-D222 HydrophobicContact CG2-CB 4.04Å; V173-D222 WeakPolarHBondContact CG2-OD1 3.43Å; K218-D222 PolarHBondContact O-N 2.81Å; L219-D222 PolarHBondContact O-N 3.01Å; D222-Y225 WeakPolarHBondContact O-CB 3.23Å; D222-Y225 PolarHBondContact O-N 2.84Å; D222-L226 PolarHBondContact O-N 2.86Å
223I98.9Very high98.3Very high0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-69.3-36.3172.8-64.7-55000111.1I34 F57 I60 L219 N220 D221 Y225 L226 L227 L244I34-I223 HydrophobicContact CD1-CD1 4.27Å; F57-I223 HydrophobicContact CE1-CG1 3.98Å; F57-I223 HydrophobicContact CZ-CG1 4.11Å; I60-I223 HydrophobicContact CD1-CG2 3.59Å; L219-I223 WeakPolarHBondContact O-CB 3.3Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.43Å; L219-I223 PolarHBondContact O-N 3.43Å; N220-I223 PolarHBondContact O-N 2.82Å; D221-I223 VanDerWaalsContact C-N 3.33Å; D221-I223 PolarHBondContact O-N 2.87Å; I223-Y225 VanDerWaalsContact C-N 3.29Å; I223-Y225 PolarHBondContact O-N 3.19Å; I223-L226 HydrophobicContact CD1-CD2 4.3Å; I223-L226 WeakPolarHBondContact O-CB 3.33Å; I223-L226 PolarHBondContact O-N 2.86Å; I223-L227 HydrophobicContact CG2-CD1 4.26Å; I223-L227 HydrophobicContact CG2-CG 4.43Å; I223-L227 VanDerWaalsContact O-CG 3.31Å; I223-L227 WeakPolarHBondContact O-CG 3.13Å; I223-L227 PolarHBondContact O-N 3.29Å; I223-L244 HydrophobicContact CD1-CD1 3.83Å; I223-L244 HydrophobicContact CD1-CD2 3.89Å; I223-L244 HydrophobicContact CG1-CD1 4.02Å; I223-L244 HydrophobicContact CG2-CD1 3.97Å
224G98.8Very high98Very high22 Ų2245.7 Ų45.723%0.22724%0.244CC..Hα-helixtrans-59.3-42.5173.300000111.8S56 N220 D221 L227 S228S56-G224 WeakPolarHBondContact OG-CA 3.23Å; S56-G224 PolarHBondContact OG-N 3.25Å; N220-G224 PolarHBondContact O-N 3.28Å; D221-G224 CarbonylContact O-C 3.53Å; D221-G224 WeakPolarHBondContact O-CA 3.46Å; D221-G224 PolarHBondContact O-N 2.93Å; G224-L227 PolarHBondContact O-N 2.85Å; G224-S228 PolarHBondContact O-N 3.23Å
225Y98.8Very high97.6Very high84 Ų8444.5 Ų44.533%0.32924%0.243SC..Hα-helixtrans-61.3-48.4173.2179.1-105.6000112.1V173 I176 N177 D221 D222 I223 L227 S228 L229V173-Y225 HydrophobicContact CG1-CD1 3.8Å; V173-Y225 HydrophobicContact CG1-CE1 3.63Å; V173-Y225 HydrophobicContact CG2-CD1 4.27Å; I176-Y225 HydrophobicContact CG2-CD1 4.46Å; N177-Y225 PolarHBondContact ND2-OH 3.28Å; N177-Y225 WeakPolarHBondContact OD1-CE1 3.46Å; N177-Y225 PolarHBondContact OD1-OH 2.93Å; D221-Y225 PolarHBondContact O-N 3.12Å; D222-Y225 WeakPolarHBondContact O-CB 3.23Å; D222-Y225 PolarHBondContact O-N 2.84Å; I223-Y225 VanDerWaalsContact C-N 3.29Å; I223-Y225 PolarHBondContact O-N 3.19Å; Y225-L227 VanDerWaalsContact C-N 3.31Å; Y225-L227 PolarHBondContact O-N 2.99Å; Y225-S228 WeakPolarHBondContact O-CB 3.47Å; Y225-S228 PolarHBondContact O-N 3.33Å; Y225-S228 VanDerWaalsContact O-N 3.11Å; Y225-S228 PolarHBondContact O-OG 2.95Å; Y225-L229 HydrophobicContact CD1-CD1 3.95Å; Y225-L229 HydrophobicContact CD1-CG 4.35Å; Y225-L229 HydrophobicContact CE1-CD1 3.43Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.43Å; Y225-L229 HydrophobicContact CE1-CD2 4.36Å; Y225-L229 HydrophobicContact CE1-CG 3.96Å; Y225-L229 HydrophobicContact CE2-CD2 4.35Å; Y225-L229 HydrophobicContact CE2-CG 4.4Å; Y225-L229 PolarHBondContact O-N 2.8Å
226L98.8Very high97.4Very high0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-52.1-48.2173.4169.465.1000112L32 I34 I176 I180 D222 I223 S228 L229 I230L32-L226 HydrophobicContact CD2-CD1 3.73Å; L32-L226 HydrophobicContact CD2-CD2 4.07Å; I34-L226 HydrophobicContact CD1-CD2 3.61Å; I176-L226 HydrophobicContact CD1-CB 4.07Å; I176-L226 HydrophobicContact CG2-CB 4.11Å; I176-L226 HydrophobicContact CG2-CD1 3.79Å; I180-L226 HydrophobicContact CD1-CD1 3.79Å; I180-L226 HydrophobicContact CG1-CD1 3.96Å; D222-L226 PolarHBondContact O-N 2.86Å; I223-L226 HydrophobicContact CD1-CD2 4.3Å; I223-L226 WeakPolarHBondContact O-CB 3.33Å; I223-L226 PolarHBondContact O-N 2.86Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 2.77Å; L226-L229 WeakPolarHBondContact O-CB 3.21Å; L226-L229 PolarHBondContact O-N 3.27Å; L226-I230 HydrophobicContact CD1-CD1 3.93Å; L226-I230 HydrophobicContact CD1-CG1 4.41Å; L226-I230 HydrophobicContact CG-CD1 4.11Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.77Å; L226-I230 VanDerWaalsContact O-N 3.12Å
227L98.6Very high97.2Very high9 Ų949 Ų495%0.04726%0.261CS..Hα-helixtrans-64.6-36.1-179.1-64.7174000111.8R59 I60 I223 G224 Y225 I230 D231 I242R59-L227 HydrophobicContact CB-CD1 4.31Å; R59-L227 HydrophobicContact CG-CD1 4.18Å; I60-L227 HydrophobicContact CD1-CD1 4.41Å; I60-L227 HydrophobicContact CD1-CD2 4.39Å; I60-L227 HydrophobicContact CG1-CD1 4.05Å; I60-L227 HydrophobicContact CG1-CD2 4.08Å; I223-L227 HydrophobicContact CG2-CD1 4.26Å; I223-L227 HydrophobicContact CG2-CG 4.43Å; I223-L227 VanDerWaalsContact O-CG 3.31Å; I223-L227 WeakPolarHBondContact O-CG 3.13Å; I223-L227 PolarHBondContact O-N 3.29Å; G224-L227 PolarHBondContact O-N 2.85Å; Y225-L227 VanDerWaalsContact C-N 3.31Å; Y225-L227 PolarHBondContact O-N 2.99Å; L227-I230 PolarHBondContact O-N 3.21Å; L227-D231 PolarHBondContact O-N 3.35Å; L227-I242 HydrophobicContact CD2-CD1 4.1Å
228S98.4Very high96.9Very high50 Ų5048 Ų4835%0.3526%0.261SS..Hα-helixtrans-65.2-38.2174.782.80000112.8G224 Y225 L226 I230 D231 T232G224-S228 PolarHBondContact O-N 3.23Å; Y225-S228 WeakPolarHBondContact O-CB 3.47Å; Y225-S228 PolarHBondContact O-N 3.33Å; Y225-S228 VanDerWaalsContact O-N 3.11Å; Y225-S228 PolarHBondContact O-OG 2.95Å; L226-S228 VanDerWaalsContact C-N 3.3Å; L226-S228 PolarHBondContact O-N 2.77Å; S228-I230 VanDerWaalsContact C-N 3.3Å; S228-I230 PolarHBondContact O-N 3.36Å; S228-D231 PolarHBondContact O-N 3.37Å; S228-T232 WeakPolarHBondContact O-CG2 3.18Å; S228-T232 PolarHBondContact O-N 2.87Å; S228-T232 PolarHBondContact O-OG1 2.8Å
229L98.1Very high96.6Very high16 Ų1641.5 Ų41.58%0.08423%0.234CC..Hα-helixtrans-63.9-37.4174.9-72.5178.9000111.5I176 Y225 L226 T232 R233I176-L229 HydrophobicContact CG2-CD1 3.8Å; Y225-L229 HydrophobicContact CD1-CD1 3.95Å; Y225-L229 HydrophobicContact CD1-CG 4.35Å; Y225-L229 HydrophobicContact CE1-CD1 3.43Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.43Å; Y225-L229 HydrophobicContact CE1-CD2 4.36Å; Y225-L229 HydrophobicContact CE1-CG 3.96Å; Y225-L229 HydrophobicContact CE2-CD2 4.35Å; Y225-L229 HydrophobicContact CE2-CG 4.4Å; Y225-L229 PolarHBondContact O-N 2.8Å; L226-L229 WeakPolarHBondContact O-CB 3.21Å; L226-L229 PolarHBondContact O-N 3.27Å; L229-T232 PolarHBondContact O-OG1 3.36Å; L229-T232 VanDerWaalsContact O-OG1 3.05Å; L229-R233 VanDerWaalsContact CA-NH1 3.33Å; L229-R233 VanDerWaalsContact CB-NH1 3.29Å; L229-R233 WeakPolarHBondContact O-CD 3.42Å; L229-R233 VanDerWaalsContact O-CG 3.32Å; L229-R233 WeakPolarHBondContact O-CG 3.47Å; L229-R233 PolarHBondContact O-NH1 3.47Å
230I97.5Very high96.6Very high16 Ų1641.7 Ų41.78%0.08224%0.235CC..Hα-helixtrans-72.9-41.6178-64.7168.9000110.4I180 L226 L227 S228 T232 R233 K237 L240 I242I180-I230 HydrophobicContact CD1-CG1 4.48Å; L226-I230 HydrophobicContact CD1-CD1 3.93Å; L226-I230 HydrophobicContact CD1-CG1 4.41Å; L226-I230 HydrophobicContact CG-CD1 4.11Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 2.77Å; L226-I230 VanDerWaalsContact O-N 3.12Å; L227-I230 PolarHBondContact O-N 3.21Å; S228-I230 VanDerWaalsContact C-N 3.3Å; S228-I230 PolarHBondContact O-N 3.36Å; I230-T232 PolarHBondContact O-N 3Å; I230-R233 PolarHBondContact O-N 3Å; I230-K237 HydrophobicContact CG2-CB 4.34Å; I230-L240 HydrophobicContact CD1-CD2 3.77Å; I230-L240 HydrophobicContact CG1-CD2 4.02Å; I230-I242 HydrophobicContact CD1-CD1 3.26Å; I230-I242 HydrophobicContact CD1-CG1 4.1Å
231D96.2Very high96.5Very high56 Ų5641.6 Ų41.630%0.29923%0.234SC..Hα-helixtrans-59.7-33.6179.3-81.5-37.9000113.7R59 L227 S228 R233 K237R59-D231 IonicContact CZ-OD2 2.72Å; R59-D231 IonicContact NH1-OD2 3.72Å; R59-D231 PolarHBondContact NH1-OD2 3.2Å; R59-D231 IonicContact NH2-OD1 3.16Å; R59-D231 PolarHBondContact NH2-OD1 3.02Å; R59-D231 IonicContact NH2-OD2 3.07Å; R59-D231 PolarHBondContact NH2-OD2 3.43Å; L227-D231 PolarHBondContact O-N 3.35Å; S228-D231 PolarHBondContact O-N 3.37Å; D231-R233 VanDerWaalsContact C-N 3.31Å; D231-K237 IonicContact OD1-NZ 3.08Å; D231-K237 PolarHBondContact OD1-NZ 2.8Å
232T96.7Very high96.5Very high103 Ų10337.5 Ų37.563%0.63221%0.212SC*.THydrogen-bonded Turntrans-84.5-2.5179.951.50000113.4S228 L229 I230S228-T232 WeakPolarHBondContact O-CG2 3.18Å; S228-T232 PolarHBondContact O-N 2.87Å; S228-T232 PolarHBondContact O-OG1 2.8Å; L229-T232 PolarHBondContact O-OG1 3.36Å; L229-T232 VanDerWaalsContact O-OG1 3.05Å; I230-T232 PolarHBondContact O-N 3Å
233R96Very high96.5Very high60 Ų6036.5 Ų36.523%0.22621%0.207CC..  trans-121.193.6-179.1-70.2174.5176.379.6-5.1111D184 L229 I230 D231 S235 L236 K237D184-R233 WeakPolarHBondContact OD1-CD 3.46Å; D184-R233 IonicContact OD1-NE 2.79Å; D184-R233 IonicContact OD2-CZ 3.78Å; D184-R233 IonicContact OD2-NE 2.75Å; D184-R233 PolarHBondContact OD2-NE 3.21Å; L229-R233 VanDerWaalsContact CA-NH1 3.33Å; L229-R233 VanDerWaalsContact CB-NH1 3.29Å; L229-R233 WeakPolarHBondContact O-CD 3.42Å; L229-R233 VanDerWaalsContact O-CG 3.32Å; L229-R233 WeakPolarHBondContact O-CG 3.47Å; L229-R233 PolarHBondContact O-NH1 3.47Å; I230-R233 PolarHBondContact O-N 3Å; D231-R233 VanDerWaalsContact C-N 3.31Å; R233-S235 VanDerWaalsContact C-N 3.26Å; R233-S235 PolarHBondContact O-N 2.79Å; R233-S235 VanDerWaalsContact O-N 3.17Å; R233-L236 HydrophobicContact CB-CB 4.13Å; R233-L236 HydrophobicContact CB-CD1 4.29Å; R233-L236 HydrophobicContact CB-CG 4.23Å; R233-L236 PolarHBondContact O-N 3.48Å; R233-K237 WeakPolarHBondContact O-CB 3.48Å; R233-K237 PolarHBondContact O-N 2.91Å
234P91.8Very high96.5Very high103 Ų10336.5 Ų36.567%0.66921%0.207SC*.Hα-helixtrans-56.3-34.7-176.5-28.235.4000114.7S238P234-S238 WeakPolarHBondContact O-CB 3.19Å; P234-S238 PolarHBondContact O-N 3.4Å; P234-S238 PolarHBondContact O-OG 3.48Å; P234-S238 VanDerWaalsContact O-OG 3.11Å
235S90.9Very high96.5Very high63 Ų6335.4 Ų35.444%0.44120%0.196SC..Hα-helixtrans-58.8-59.4175.151.90000110.4R233 S238 S239R233-S235 VanDerWaalsContact C-N 3.26Å; R233-S235 PolarHBondContact O-N 2.79Å; R233-S235 VanDerWaalsContact O-N 3.17Å; S235-S238 PolarHBondContact O-N 2.65Å; S235-S238 PolarHBondContact O-OG 3.1Å; S235-S239 PolarHBondContact O-N 2.96Å; S235-S239 PolarHBondContact O-OG 3.01Å; S235-S239 VanDerWaalsContact O-OG 3.07Å
236L95.3Very high96.5Very high1 Ų131.4 Ų31.41%0.00518%0.18CC..Hα-helixtrans-62-45.1179.2-63.2-172.8000112.2K30 I180 L183 R233 S238 S239 L240K30-L236 HydrophobicContact CD-CD2 4.17Å; I180-L236 HydrophobicContact CD1-CD1 4.3Å; I180-L236 HydrophobicContact CG2-CD1 3.99Å; L183-L236 HydrophobicContact CB-CD2 4.32Å; L183-L236 WeakPolarHBondContact O-CD2 3.46Å; R233-L236 HydrophobicContact CB-CB 4.13Å; R233-L236 HydrophobicContact CB-CD1 4.29Å; R233-L236 HydrophobicContact CB-CG 4.23Å; R233-L236 PolarHBondContact O-N 3.48Å; L236-S238 PolarHBondContact O-N 2.69Å; L236-S239 PolarHBondContact O-N 3.18Å; L236-L240 HydrophobicContact CB-CB 4.25Å; L236-L240 HydrophobicContact CB-CD2 4.38Å; L236-L240 HydrophobicContact CD1-CD2 4.48Å; L236-L240 WeakPolarHBondContact O-CB 3.34Å; L236-L240 PolarHBondContact O-N 2.89Å
237K93.7Very high96.5Very high115 Ų11531.4 Ų31.450%0.518%0.18SC..Hα-helixtrans-53.2-33.5179.1-173169.3-174.7142.50113.2I230 D231 R233I230-K237 HydrophobicContact CG2-CB 4.34Å; D231-K237 IonicContact OD1-NZ 3.08Å; D231-K237 PolarHBondContact OD1-NZ 2.8Å; R233-K237 WeakPolarHBondContact O-CB 3.48Å; R233-K237 PolarHBondContact O-N 2.91Å
238S91.6Very high96.5Very high51 Ų5131 Ų3136%0.35718%0.178SC..Hα-helixtrans-89.4-14-178.667.60000115.2K27 P234 S235 L236K27-S238 PolarHBondContact NZ-OG 3.48Å; P234-S238 WeakPolarHBondContact O-CB 3.19Å; P234-S238 PolarHBondContact O-N 3.4Å; P234-S238 PolarHBondContact O-OG 3.48Å; P234-S238 VanDerWaalsContact O-OG 3.11Å; S235-S238 PolarHBondContact O-N 2.65Å; S235-S238 PolarHBondContact O-OG 3.1Å; L236-S238 PolarHBondContact O-N 2.69Å
239S94.1Very high96.5Very high5 Ų528.6 Ų28.64%0.03516%0.162CC..Hα-helixtrans-133.6-14.8-170.767.90000115.5K30 S235 L236K30-S239 PolarHBondContact N-O 3.47Å; S235-S239 PolarHBondContact O-N 2.96Å; S235-S239 PolarHBondContact O-OG 3.01Å; S235-S239 VanDerWaalsContact O-OG 3.07Å; L236-S239 PolarHBondContact O-N 3.18Å
240L97.3Very high96.5Very high7 Ų727.9 Ų27.94%0.03716%0.158CC..EExtended strand (participates in β ladder)trans-90.2122.3-174.3-176.263.1000111K30 L32 I180 L183 I230 L236 I242 P372K30-L240 HydrophobicContact CB-CD1 3.73Å; L32-L240 HydrophobicContact CB-CD1 4.05Å; I180-L240 HydrophobicContact CD1-CD2 4.17Å; L183-L240 HydrophobicContact CD1-CD1 4.12Å; I230-L240 HydrophobicContact CD1-CD2 3.77Å; I230-L240 HydrophobicContact CG1-CD2 4.02Å; L236-L240 HydrophobicContact CB-CB 4.25Å; L236-L240 HydrophobicContact CB-CD2 4.38Å; L236-L240 HydrophobicContact CD1-CD2 4.48Å; L236-L240 WeakPolarHBondContact O-CB 3.34Å; L236-L240 PolarHBondContact O-N 2.89Å; L240-I242 HydrophobicContact CG-CG1 4.44Å; L240-P372 VanDerWaalsContact O-CD 3.26Å; L240-P372 WeakPolarHBondContact O-CD 3.31Å
241N97.9Very high96.6Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-94143.4167-60.8-74.9000109.1Q29 K30 L31 L32 T370 P372 G373 F374 L400Q29-N241 PolarHBondContact OE1-ND2 3.01Å; K30-N241 WeakPolarHBondContact O-CB 3.45Å; K30-N241 PolarHBondContact O-N 3.43Å; K30-N241 PolarHBondContact O-ND2 2.76Å; K30-N241 VanDerWaalsContact O-ND2 3.16Å; L31-N241 CarbonylContact C-O 3.31Å; L31-N241 WeakPolarHBondContact CA-O 3.47Å; L31-N241 HydrophobicContact CD1-CB 3.93Å; L32-N241 PolarHBondContact N-O 3.08Å; N241-T370 CarbonylContact C-O 3.54Å; N241-T370 WeakPolarHBondContact CA-O 3.3Å; N241-P372 WeakPolarHBondContact OD1-CD 3.24Å; N241-G373 VanDerWaalsContact OD1-CA 3.3Å; N241-G373 WeakPolarHBondContact OD1-CA 3.27Å; N241-G373 PolarHBondContact OD1-N 3.05Å; N241-F374 HydrophobicContact CB-CD2 4.28Å; N241-F374 HydrophobicContact CB-CE2 3.92Å; N241-L400 HydrophobicContact CB-CD2 4.41Å
242I98.7Very high96.7Very high5 Ų525.9 Ų25.93%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-124.2130.3178.9-50.3171.7000108L32 L227 I230 L240 L244 A369 T370L32-I242 CarbonylContact O-C 3.32Å; L32-I242 VanDerWaalsContact O-CA 3.27Å; L32-I242 WeakPolarHBondContact O-CA 3.33Å; L227-I242 HydrophobicContact CD2-CD1 4.1Å; I230-I242 HydrophobicContact CD1-CD1 3.26Å; I230-I242 HydrophobicContact CD1-CG1 4.1Å; L240-I242 HydrophobicContact CG-CG1 4.44Å; I242-L244 HydrophobicContact CG2-CD2 3.89Å; I242-L244 HydrophobicContact CG2-CG 4.29Å; I242-A369 CarbonylContact O-C 3.52Å; I242-A369 WeakPolarHBondContact O-CA 3.21Å; I242-A369 VanDerWaalsContact O-CB 3.31Å; I242-A369 WeakPolarHBondContact O-CB 3.45Å; I242-T370 HydrophobicContact CB-CG2 4.21Å; I242-T370 HydrophobicContact CD1-CG2 4.12Å; I242-T370 HydrophobicContact CG1-CG2 4.46Å; I242-T370 PolarHBondContact N-O 2.92Å; I242-T370 PolarHBondContact O-N 3.37Å
243I98.8Very high96.7Very high0 Ų021.3 Ų21.30%013%0.125CC..EExtended strand (participates in β ladder)trans-114.5123.2165-63.4172.6000107L31 L32 V33 I34 T245 F367 A369 F374 L396 M397 L400L31-I243 HydrophobicContact CD1-CD1 4.05Å; L31-I243 HydrophobicContact CD1-CG1 4.1Å; L32-I243 PolarHBondContact O-N 3.32Å; V33-I243 CarbonylContact C-O 3.53Å; V33-I243 WeakPolarHBondContact CA-O 3.29Å; V33-I243 HydrophobicContact CB-CB 4.48Å; V33-I243 HydrophobicContact CG1-CB 4.1Å; V33-I243 HydrophobicContact CG1-CG2 4.09Å; V33-I243 HydrophobicContact CG2-CB 4.23Å; V33-I243 HydrophobicContact CG2-CD1 4.37Å; I34-I243 PolarHBondContact N-O 2.96Å; I243-T245 HydrophobicContact CG2-CG2 4.06Å; I243-F367 HydrophobicContact CD1-CZ 4.47Å; I243-F367 HydrophobicContact CG1-CZ 4.38Å; I243-F367 HydrophobicContact CG2-CD2 4.08Å; I243-F367 HydrophobicContact CG2-CE2 3.52Å; I243-F367 HydrophobicContact CG2-CZ 3.94Å; I243-A369 HydrophobicContact CG1-CB 4.01Å; I243-F374 HydrophobicContact CD1-CZ 4.06Å; I243-F374 HydrophobicContact CG1-CE2 4.18Å; I243-F374 HydrophobicContact CG1-CZ 3.69Å; I243-L396 HydrophobicContact CD1-CD2 4.24Å; I243-M397 HydrophobicContact CD1-CG 4.28Å; I243-L400 HydrophobicContact CD1-CD1 4.16Å
244L98.9Very high96.6Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans-104.8124164.1-55.4-171.7000107.5I34 F57 I60 I223 I242 F366 F367 L368I34-L244 HydrophobicContact CB-CD2 3.68Å; I34-L244 HydrophobicContact CD1-CD2 3.84Å; I34-L244 HydrophobicContact CG1-CD2 3.91Å; I34-L244 WeakPolarHBondContact O-CA 3.25Å; F57-L244 HydrophobicContact CD1-CD1 3.98Å; F57-L244 HydrophobicContact CE1-CD1 3.91Å; I60-L244 HydrophobicContact CD1-CD1 3.24Å; I60-L244 HydrophobicContact CD1-CG 3.92Å; I223-L244 HydrophobicContact CD1-CD1 3.83Å; I223-L244 HydrophobicContact CD1-CD2 3.89Å; I223-L244 HydrophobicContact CG1-CD1 4.02Å; I223-L244 HydrophobicContact CG2-CD1 3.97Å; I242-L244 HydrophobicContact CG2-CD2 3.89Å; I242-L244 HydrophobicContact CG2-CG 4.29Å; L244-F366 HydrophobicContact CB-CE2 3.94Å; L244-F366 HydrophobicContact CB-CZ 3.88Å; L244-F367 WeakPolarHBondContact O-CA 3.31Å; L244-L368 HydrophobicContact CB-CB 4.37Å; L244-L368 PolarHBondContact N-O 3.14Å; L244-L368 PolarHBondContact O-N 3.02Å; L244-L368 VanDerWaalsContact O-O 3.05Å
245T98.8Very high96.5Very high0 Ų019.6 Ų19.60%012%0.118CC..EExtended strand (participates in β ladder)trans-149.8177.4-176.2-170.50000109.7V33 I34 S35 L36 L85 I243 F366V33-T245 HydrophobicContact CG1-CG2 4.08Å; I34-T245 PolarHBondContact O-N 3Å; S35-T245 CarbonylContact C-O 3.45Å; S35-T245 VanDerWaalsContact CA-O 3.25Å; S35-T245 WeakPolarHBondContact CA-O 3.49Å; L36-T245 PolarHBondContact N-O 3.07Å; L85-T245 HydrophobicContact CD1-CG2 3.74Å; I243-T245 HydrophobicContact CG2-CG2 4.06Å; T245-F366 VanDerWaalsContact CA-O 3.29Å; T245-F366 WeakPolarHBondContact CA-O 3.42Å; T245-F366 WeakPolarHBondContact O-CE1 3.35Å; T245-F366 PolarHBondContact OG1-O 2.81Å
246S98.8Very high96.7Very high0 Ų025.1 Ų25.10%013%0.134CC..  trans-129.8178.3165.7-171.20000109.5L36 G38 F39 H248 P365 F366L36-S246 WeakPolarHBondContact O-CB 3.36Å; L36-S246 PolarHBondContact O-OG 3.15Å; G38-S246 PolarHBondContact N-OG 3.26Å; G38-S246 VanDerWaalsContact N-OG 3.08Å; F39-S246 PolarHBondContact N-OG 3.41Å; F39-S246 WeakPolarHBondContact O-CB 3.31Å; S246-H248 PolarHBondContact OG-O 3.21Å; S246-P365 VanDerWaalsContact C-CB 3.43Å; S246-P365 WeakPolarHBondContact O-CB 3.49Å; S246-F366 PolarHBondContact N-O 2.7Å
247D98.6Very high96.7Very high0 Ų029.4 Ų29.40%015%0.15CC..SBendtrans-102.6-27.1177.563.3-49.4000112.4D37 G38 N72 T78 N81 H82D37-D247 VanDerWaalsContact OD1-OD1 3.1Å; G38-D247 PolarHBondContact N-OD1 2.76Å; N72-D247 PolarHBondContact ND2-O 2.78Å; N72-D247 PolarHBondContact OD1-O 2.89Å; N72-D247 VanDerWaalsContact OD1-O 3.09Å; T78-D247 WeakPolarHBondContact CA-OD2 3.27Å; N81-D247 HydrophobicContact CB-CB 3.97Å; N81-D247 WeakPolarHBondContact CB-O 3.34Å; H82-D247 VanDerWaalsContact CE1-CB 3.4Å; H82-D247 WeakPolarHBondContact CE1-CB 3.3Å; H82-D247 IonicContact CE1-OD1 3.97Å; H82-D247 PolarHBondContact CE1-OD1 3.25Å; H82-D247 IonicContact CE1-OD2 3.23Å; H82-D247 PolarHBondContact CE1-OD2 3.02Å; H82-D247 WeakPolarHBondContact ND1-CB 3.37Å; H82-D247 VanDerWaalsContact ND1-CG 3.31Å; H82-D247 IonicContact ND1-OD2 2.87Å; H82-D247 PolarHBondContact ND1-OD2 2.82Å; H82-D247 VanDerWaalsContact ND1-OD2 3.08Å
248H98.7Very high96.9Very high0 Ų025.1 Ų25.10%013%0.133CC..  trans-155.8174.9170.65573000112.6D37 G38 N72 T76 D199 S246 H354D37-H248 IonicContact OD1-CE1 2.69Å; D37-H248 IonicContact OD1-NE2 3.24Å; D37-H248 PolarHBondContact OD1-NE2 3.42Å; G38-H248 CarbonylContact C-O 3.58Å; G38-H248 VanDerWaalsContact C-O 3.32Å; G38-H248 VanDerWaalsContact CA-O 3.29Å; G38-H248 WeakPolarHBondContact CA-O 3.4Å; N72-H248 WeakPolarHBondContact ND2-CA 3.36Å; T76-H248 PolarHBondContact O-CD2 2.86Å; D199-H248 IonicContact OD1-CE1 3.52Å; D199-H248 PolarHBondContact OD1-CE1 3.06Å; S246-H248 PolarHBondContact OG-O 3.21Å; H248-H354 AromaticContact CD2-CE1 3.94Å; H248-H354 AromaticContact CD2-ND1 3.59Å; H248-H354 AromaticContact CE1-CD2 3.54Å; H248-H354 AromaticContact CE1-CE1 3.23Å; H248-H354 PolarHBondContact CE1-CE1 2.92Å; H248-H354 AromaticContact CE1-CG 3.34Å; H248-H354 AromaticContact CE1-ND1 3.16Å; H248-H354 PolarHBondContact CE1-ND1 3.49Å; H248-H354 AromaticContact CE1-NE2 3.53Å; H248-H354 AromaticContact CG-ND1 3.84Å; H248-H354 AromaticContact ND1-CG 3.55Å; H248-H354 AromaticContact ND1-ND1 3.57Å; H248-H354 AromaticContact NE2-CE1 3.02Å; H248-H354 PolarHBondContact NE2-CE1 2.84Å; H248-H354 AromaticContact NE2-CG 3.79Å; H248-H354 AromaticContact NE2-ND1 3.09Å; H248-H354 PolarHBondContact NE2-ND1 2.9Å; H248-H354 AromaticContact NE2-NE2 3.75Å
249G98.4Very high97.3Very high0 Ų022.8 Ų22.80%012%0.116CC..  trans-95.1-154167.100000112.9E362 M363G249-E362 CarbonylContact C-O 3.59Å; G249-E362 VanDerWaalsContact C-O 3.31Å; G249-E362 WeakPolarHBondContact CA-O 3.47Å; G249-M363 PolarHBondContact N-O 3.16Å
250M98.7Very high97.5Very high0 Ų023.4 Ų23.40%012%0.119CC..  trans-154.8133.4-174.4-175.663.963.300111.1R40 D199 P207 G352 D353 E362R40-M250 VanDerWaalsContact CD-O 3.23Å; R40-M250 WeakPolarHBondContact CD-O 3.33Å; R40-M250 PolarHBondContact NH1-O 3.43Å; D199-M250 WeakPolarHBondContact OD1-CE 3.48Å; P207-M250 HydrophobicContact CB-CB 4.08Å; P207-M250 HydrophobicContact CB-CG 3.82Å; P207-M250 HydrophobicContact CG-CG 4.24Å; M250-G352 VanDerWaalsContact SD-C 3.51Å; M250-D353 VanDerWaalsContact SD-CA 3.59Å; M250-D353 PolarHBondContact SD-N 3.26Å; M250-E362 PolarHBondContact N-O 2.81Å
251S98.4Very high97.5Very high8 Ų823 Ų236%0.05612%0.117CC..EExtended strand (participates in β ladder)trans-112.6144.2173.4174.40000110.3G335 G352 D353S251-G335 PolarHBondContact OG-N 3.25Å; S251-G352 CarbonylContact O-C 3.54Å; S251-G352 VanDerWaalsContact O-CA 3.26Å; S251-G352 WeakPolarHBondContact O-CA 3.38Å; S251-D353 PolarHBondContact N-O 2.88Å; S251-D353 PolarHBondContact O-N 3.42Å
252G98.1Very high97.5Very high23 Ų2325.5 Ų25.524%0.23713%0.128CC..EExtended strand (participates in β ladder)trans-64.1146.1170.700000111.3G335 R351G252-G335 VanDerWaalsContact O-CA 3.29Å; G252-G335 WeakPolarHBondContact O-CA 3.33Å; G252-R351 CarbonylContact C-O 3.53Å; G252-R351 WeakPolarHBondContact CA-O 3.41Å
253V97.6Very high97.5Very high7 Ų730.3 Ų30.34%0.04215%0.154CC..  trans-130.8152.4174.3-65.40000110.1I279 T337 F348 K350 R351 D353 Y356V253-I279 HydrophobicContact CG1-CD1 4.49Å; V253-T337 WeakPolarHBondContact CG1-OG1 3.43Å; V253-F348 HydrophobicContact CB-CZ 4.03Å; V253-F348 HydrophobicContact CG2-CE1 4.36Å; V253-F348 HydrophobicContact CG2-CZ 3.68Å; V253-K350 HydrophobicContact CG2-CB 4.04Å; V253-R351 VanDerWaalsContact CG2-C 3.48Å; V253-R351 PolarHBondContact N-O 3.16Å; V253-D353 HydrophobicContact CG1-CB 3.81Å; V253-D353 HydrophobicContact CG2-CB 4.34Å; V253-Y356 WeakPolarHBondContact CG1-OH 3.49Å
254D93.1Very high97.5Very high46 Ų4633 Ų3325%0.24617%0.165CC..  trans-142.9140.1-171.9-170.8-42.9000110.2K256 R257D254-K256 PolarHBondContact O-N 2.67Å; D254-K256 VanDerWaalsContact O-N 3.08Å; D254-K256 WeakPolarHBondContact OD1-CB 3.43Å; D254-K256 WeakPolarHBondContact OD1-CG 3.46Å; D254-K256 PolarHBondContact OD1-N 2.68Å; D254-R257 VanDerWaalsContact CB-NH2 3.33Å; D254-R257 PolarHBondContact O-N 2.95Å; D254-R257 IonicContact OD2-NH1 3.62Å
255T90.4Very high97.4Very high81 Ų8133.2 Ų33.250%0.49717%0.165SC..THydrogen-bonded Turntrans-58.8-20.2176.952.60000113.3I258 F348T255-I258 WeakPolarHBondContact O-CD1 3.4Å; T255-F348 HydrophobicContact CG2-CD1 3.77Å; T255-F348 HydrophobicContact CG2-CE1 4.4Å
256K93.9Very high97.2Very high178 Ų17836.3 Ų36.377%0.77418%0.182SC*.THydrogen-bonded Turntrans-81.7-13.8175.6-62.9174.7-177.9174.50114D254D254-K256 PolarHBondContact O-N 2.67Å; D254-K256 VanDerWaalsContact O-N 3.08Å; D254-K256 WeakPolarHBondContact OD1-CB 3.43Å; D254-K256 WeakPolarHBondContact OD1-CG 3.46Å; D254-K256 PolarHBondContact OD1-N 2.68Å
257R97.1Very high97Very high91 Ų9142.7 Ų42.734%0.34321%0.212SC..SBendtrans-118.262.8-177.8-69.3-172.1-62.8-90.71.5109.9D254 G335 W336 T337D254-R257 VanDerWaalsContact CB-NH2 3.33Å; D254-R257 PolarHBondContact O-N 2.95Å; D254-R257 IonicContact OD2-NH1 3.62Å; R257-G335 WeakPolarHBondContact CB-O 3.35Å; R257-G335 WeakPolarHBondContact CD-O 3.16Å; R257-G335 PolarHBondContact NE-O 2.86Å; R257-W336 HydrophobicContact CB-CD2 3.76Å; R257-W336 HydrophobicContact CB-CE3 3.92Å; R257-W336 HydrophobicContact CB-CG 4.15Å; R257-W336 HydrophobicContact CB-CZ2 4.36Å; R257-W336 HydrophobicContact CB-CZ3 4.31Å; R257-W336 HydrophobicContact CG-CD2 4.34Å; R257-W336 HydrophobicContact CG-CZ2 4.13Å; R257-W336 VanDerWaalsContact O-CA 3.3Å; R257-W336 WeakPolarHBondContact O-CA 3.1Å; R257-T337 PolarHBondContact O-N 3.04Å; R257-T337 VanDerWaalsContact O-N 3.11Å
258I98.1Very high96.9Very high26 Ų2645.6 Ų45.613%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-115.7137.1-179.1-70.2177.2000110.1T255 I260 T337 V339 V345 F348T255-I258 WeakPolarHBondContact O-CD1 3.4Å; I258-I260 HydrophobicContact CG2-CG1 4.22Å; I258-T337 WeakPolarHBondContact CA-O 3.33Å; I258-V339 HydrophobicContact CD1-CG1 4.37Å; I258-V339 HydrophobicContact CG2-CB 4.14Å; I258-V339 HydrophobicContact CG2-CG1 3.8Å; I258-V339 HydrophobicContact CG2-CG2 3.32Å; I258-V345 HydrophobicContact CD1-CG1 4.01Å; I258-V345 HydrophobicContact CG2-CG2 4.2Å; I258-F348 HydrophobicContact CD1-CB 4.36Å; I258-F348 HydrophobicContact CD1-CD1 3.8Å; I258-F348 HydrophobicContact CD1-CE1 4.33Å; I258-F348 HydrophobicContact CD1-CG 4.14Å
259I98.4Very high96.9Very high2 Ų247 Ų471%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-104.7123.9167.3-62.2151.2000107.6Y264 K304 M305 W336 T337 I338 V339I259-Y264 HydrophobicContact CG2-CE2 4.03Å; I259-K304 HydrophobicContact CD1-CB 4.44Å; I259-K304 WeakPolarHBondContact CD1-O 3.33Å; I259-M305 HydrophobicContact CD1-CB 4.06Å; I259-M305 HydrophobicContact CG2-SD 3.97Å; I259-W336 HydrophobicContact CD1-CB 4.4Å; I259-W336 HydrophobicContact CD1-CE3 4.17Å; I259-W336 HydrophobicContact CG1-CE3 3.86Å; I259-W336 HydrophobicContact CG1-CZ3 4.29Å; I259-T337 PolarHBondContact N-O 2.96Å; I259-I338 HydrophobicContact CB-CG1 4.17Å; I259-I338 HydrophobicContact CD1-CG1 4.1Å; I259-I338 HydrophobicContact CG2-CG1 4.5Å; I259-I338 CarbonylContact O-C 3.54Å; I259-I338 WeakPolarHBondContact O-CA 3.39Å; I259-V339 PolarHBondContact O-N 3.06Å
260I98.1Very high96.9Very high17 Ų1747.8 Ų47.89%0.08724%0.242CC..EExtended strand (participates in β ladder)trans-92.1112.5176.8-59.5165.1000108.4I258 H262 D263 V339 V345I258-I260 HydrophobicContact CG2-CG1 4.22Å; I260-H262 HydrophobicContact CG2-CB 4.44Å; I260-H262 PolarHBondContact O-N 3.34Å; I260-D263 WeakPolarHBondContact CG2-OD1 3.4Å; I260-D263 WeakPolarHBondContact O-CB 3.34Å; I260-D263 PolarHBondContact O-N 2.9Å; I260-V339 WeakPolarHBondContact CA-O 3.42Å; I260-V339 HydrophobicContact CB-CG2 4.5Å; I260-V339 HydrophobicContact CG1-CG2 3.92Å; I260-V345 HydrophobicContact CD1-CG2 3.92Å; I260-V345 HydrophobicContact CG1-CG2 3.88Å
261L98.3Very high96.8Very high0 Ų051.8 Ų51.80%026%0.258CS..G310 helixtrans-61-35.9-178.2-173.259.1000111.7D263 Y264 I265 Y270 W281 L283 L298 I338 V339L261-D263 PolarHBondContact O-N 2.98Å; L261-Y264 PolarHBondContact O-N 2.81Å; L261-I265 HydrophobicContact CD1-CD1 3.75Å; L261-I265 HydrophobicContact CD1-CG1 3.97Å; L261-I265 HydrophobicContact CD2-CD1 4.14Å; L261-I265 HydrophobicContact CG-CD1 3.79Å; L261-I265 HydrophobicContact CG-CG1 3.85Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.29Å; L261-Y270 HydrophobicContact CD2-CE1 4.49Å; L261-Y270 HydrophobicContact CD2-CE2 4.19Å; L261-Y270 WeakPolarHBondContact CD2-OH 3.44Å; L261-W281 HydrophobicContact CD2-CD2 3.76Å; L261-W281 HydrophobicContact CD2-CE3 3.45Å; L261-W281 VanDerWaalsContact CD2-CE3 3.45Å; L261-W281 HydrophobicContact CD2-CG 4.44Å; L261-W281 HydrophobicContact CD2-CH2 4.17Å; L261-W281 HydrophobicContact CD2-CZ2 4.43Å; L261-W281 HydrophobicContact CD2-CZ3 3.65Å; L261-L283 HydrophobicContact CD2-CD2 4.36Å; L261-L298 HydrophobicContact CD1-CD2 3.68Å; L261-I338 HydrophobicContact CB-CG2 3.97Å; L261-I338 HydrophobicContact CD1-CG2 4.48Å; L261-V339 WeakPolarHBondContact CB-O 3.46Å; L261-V339 PolarHBondContact N-O 3.39Å
262H98Very high96.8Very high51 Ų5151.9 Ų51.924%0.23626%0.259CS..G310 helixtrans-73.5-3.6-180-72.8-174.6000115.7I260 Y264 I265 Y270 R340I260-H262 HydrophobicContact CG2-CB 4.44Å; I260-H262 PolarHBondContact O-N 3.34Å; H262-Y264 PolarHBondContact O-N 2.99Å; H262-I265 CarbonylContact C-O 3.38Å; H262-I265 WeakPolarHBondContact CA-O 3.08Å; H262-Y270 AromaticContact NE2-CE1 3.83Å; H262-Y270 AromaticContact NE2-CZ 3.91Å; H262-Y270 PolarHBondContact NE2-OH 3.09Å; H262-Y270 VanDerWaalsContact NE2-OH 3.12Å; H262-R340 WeakPolarHBondContact CB-O 3.34Å; H262-R340 PolarHBondContact CD2-O 2.83Å; H262-R340 PolarHBondContact N-O 3.23Å
263D98.1Very high96.7Very high107 Ų10751.5 Ų51.557%0.57225%0.252SS*.G310 helixtrans-75.2-14.7169.6-67.3-5.8000111.5I260 L261I260-D263 WeakPolarHBondContact CG2-OD1 3.4Å; I260-D263 WeakPolarHBondContact O-CB 3.34Å; I260-D263 PolarHBondContact O-N 2.9Å; L261-D263 PolarHBondContact O-N 2.98Å
264Y98.3Very high96.6Very high57 Ų5752.3 Ų52.322%0.22426%0.262CS..THydrogen-bonded Turntrans-120.5-39.8-174.7-50.2-66.4000113.8I259 L261 H262 L298 K301 M305I259-Y264 HydrophobicContact CG2-CE2 4.03Å; L261-Y264 PolarHBondContact O-N 2.81Å; H262-Y264 PolarHBondContact O-N 2.99Å; Y264-L298 HydrophobicContact CD2-CD2 4.32Å; Y264-L298 HydrophobicContact CG-CD2 4.38Å; Y264-K301 HydrophobicContact CD1-CB 3.7Å; Y264-K301 HydrophobicContact CD1-CD 4.44Å; Y264-K301 HydrophobicContact CD1-CG 3.79Å; Y264-K301 HydrophobicContact CE1-CB 3.51Å; Y264-K301 HydrophobicContact CE1-CG 4.08Å; Y264-K301 HydrophobicContact CG-CB 4.33Å; Y264-K301 HydrophobicContact CG-CG 4.42Å; Y264-M305 HydrophobicContact CD2-CE 4.39Å; Y264-M305 HydrophobicContact CE2-CE 4.36Å
265I97.9Very high96.6Very high3 Ų351.9 Ų51.92%0.01526%0.262CS..SBendtrans-126.9177.3177.262.4173.8000109.4L261 H262 M269 Y270 L283 L294 K297 L298L261-I265 HydrophobicContact CD1-CD1 3.75Å; L261-I265 HydrophobicContact CD1-CG1 3.97Å; L261-I265 HydrophobicContact CD2-CD1 4.14Å; L261-I265 HydrophobicContact CG-CD1 3.79Å; L261-I265 HydrophobicContact CG-CG1 3.85Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.29Å; H262-I265 CarbonylContact C-O 3.38Å; H262-I265 WeakPolarHBondContact CA-O 3.08Å; I265-M269 HydrophobicContact CB-SD 4.07Å; I265-M269 HydrophobicContact CG2-SD 4.45Å; I265-Y270 HydrophobicContact CD1-CD1 3.47Å; I265-Y270 VanDerWaalsContact CD1-CD1 3.47Å; I265-Y270 HydrophobicContact CD1-CE1 3.49Å; I265-Y270 VanDerWaalsContact CD1-CE1 3.49Å; I265-Y270 HydrophobicContact CD1-CG 4.12Å; I265-Y270 HydrophobicContact CG1-CD1 4.12Å; I265-Y270 HydrophobicContact CG1-CE1 3.88Å; I265-L283 HydrophobicContact CD1-CD1 3.96Å; I265-L294 HydrophobicContact CB-CD2 4.43Å; I265-L294 HydrophobicContact CD1-CD2 4.43Å; I265-L294 HydrophobicContact CG2-CD2 4Å; I265-K297 HydrophobicContact CG2-CB 3.78Å; I265-K297 HydrophobicContact CG2-CD 4.01Å; I265-L298 HydrophobicContact CD1-CD1 4.31Å; I265-L298 HydrophobicContact CD1-CD2 4.45Å; I265-L298 HydrophobicContact CG1-CD2 4.43Å; I265-L298 HydrophobicContact CG2-CD1 4.4Å; I265-L298 HydrophobicContact CG2-CD2 4.09Å; I265-L298 HydrophobicContact CG2-CG 4.03Å
266N95.2Very high96.9Very high65 Ų6551.1 Ų51.135%0.34825%0.253SS..  trans-140171.5175.566.143.3000111.7S268 M269 Y270N266-S268 PolarHBondContact O-N 3.48Å; N266-S268 PolarHBondContact OD1-N 2.82Å; N266-S268 PolarHBondContact OD1-OG 3.33Å; N266-M269 WeakPolarHBondContact ND2-CE 3.32Å; N266-M269 WeakPolarHBondContact O-CB 3.44Å; N266-M269 PolarHBondContact O-N 3.28Å; N266-M269 WeakPolarHBondContact OD1-CG 3.42Å; N266-M269 PolarHBondContact OD1-N 3.01Å; N266-Y270 VanDerWaalsContact O-CD1 3.22Å; N266-Y270 WeakPolarHBondContact O-CD1 3.47Å; N266-Y270 WeakPolarHBondContact O-CE1 3.18Å
267E94.2Very high97Very high134 Ų13444.2 Ų44.263%0.62623%0.225SC*.THydrogen-bonded Turntrans-59.9-27.4-172.6-173.3167.6-156.800114.6M269E267-M269 VanDerWaalsContact C-N 3.3Å; E267-M269 PolarHBondContact O-N 3.2Å
268S96.4Very high96.9Very high62 Ų6240.2 Ų40.243%0.43421%0.209SC..THydrogen-bonded Turntrans-77.7-17.1176.969.70000112.8N266 D287N266-S268 PolarHBondContact O-N 3.48Å; N266-S268 PolarHBondContact OD1-N 2.82Å; N266-S268 PolarHBondContact OD1-OG 3.33Å; S268-D287 WeakPolarHBondContact O-CB 3.2Å
269M98Very high96.9Very high30 Ų3039.1 Ų39.115%0.14820%0.204CC..THydrogen-bonded Turntrans-82.6-21-176.3-64.6173.8177.300113.7I265 N266 E267 P285 K286 L294 K297I265-M269 HydrophobicContact CB-SD 4.07Å; I265-M269 HydrophobicContact CG2-SD 4.45Å; N266-M269 WeakPolarHBondContact ND2-CE 3.32Å; N266-M269 WeakPolarHBondContact O-CB 3.44Å; N266-M269 PolarHBondContact O-N 3.28Å; N266-M269 WeakPolarHBondContact OD1-CG 3.42Å; N266-M269 PolarHBondContact OD1-N 3.01Å; E267-M269 VanDerWaalsContact C-N 3.3Å; E267-M269 PolarHBondContact O-N 3.2Å; M269-P285 WeakPolarHBondContact O-CA 3.35Å; M269-K286 PolarHBondContact O-N 3.18Å; M269-L294 HydrophobicContact CB-CD2 3.78Å; M269-K297 HydrophobicContact SD-CD 4.04Å
270Y98.1Very high96.9Very high15 Ų1539.1 Ų39.16%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-151.5158.4-17275.6-79000114.8L261 H262 I265 N266 W281 L283 W284L261-Y270 HydrophobicContact CD2-CE1 4.49Å; L261-Y270 HydrophobicContact CD2-CE2 4.19Å; L261-Y270 WeakPolarHBondContact CD2-OH 3.44Å; H262-Y270 AromaticContact NE2-CE1 3.83Å; H262-Y270 AromaticContact NE2-CZ 3.91Å; H262-Y270 PolarHBondContact NE2-OH 3.09Å; H262-Y270 VanDerWaalsContact NE2-OH 3.12Å; I265-Y270 HydrophobicContact CD1-CD1 3.47Å; I265-Y270 VanDerWaalsContact CD1-CD1 3.47Å; I265-Y270 HydrophobicContact CD1-CE1 3.49Å; I265-Y270 VanDerWaalsContact CD1-CE1 3.49Å; I265-Y270 HydrophobicContact CD1-CG 4.12Å; I265-Y270 HydrophobicContact CG1-CD1 4.12Å; I265-Y270 HydrophobicContact CG1-CE1 3.88Å; N266-Y270 VanDerWaalsContact O-CD1 3.22Å; N266-Y270 WeakPolarHBondContact O-CD1 3.47Å; N266-Y270 WeakPolarHBondContact O-CE1 3.18Å; Y270-W281 HydrophobicContact CE2-CE3 4.29Å; Y270-W281 HydrophobicContact CE2-CZ3 4.2Å; Y270-L283 HydrophobicContact CD2-CB 4.49Å; Y270-L283 HydrophobicContact CD2-CD2 3.57Å; Y270-L283 HydrophobicContact CE2-CD2 3.75Å; Y270-L283 HydrophobicContact CG-CD2 4.32Å; Y270-W284 CarbonylContact C-O 3.57Å; Y270-W284 WeakPolarHBondContact CA-O 3.34Å
271Y98.1Very high96.9Very high84 Ų8438.3 Ų38.333%0.32920%0.2SC..EExtended strand (participates in β ladder)trans-111.7137.1162.9-178.7-121.3000109.1Y102 T109 P273 W284Y102-Y271 HydrophobicContact CD2-CD1 4.46Å; Y102-Y271 AromaticContact CD2-CE1 3.83Å; Y102-Y271 HydrophobicContact CD2-CE1 3.83Å; Y102-Y271 HydrophobicContact CG-CD1 4.17Å; Y102-Y271 AromaticContact CG-CE1 3.84Å; Y102-Y271 HydrophobicContact CG-CE1 3.84Å; T109-Y271 PolarHBondContact OG1-OH 2.75Å; Y271-P273 HydrophobicContact CE1-CB 4.42Å; Y271-P273 HydrophobicContact CE1-CG 4.2Å; Y271-W284 PolarHBondContact N-O 3.26Å; Y271-W284 WeakPolarHBondContact O-CB 3.29Å; Y271-W284 PolarHBondContact O-N 2.69Å
272S97.7Very high96.9Very high10 Ų1038.8 Ų38.87%0.0720%0.203CC..  trans-155.899.3171.6-173.20000108.9R278 S282S272-R278 PolarHBondContact O-NH2 3.36Å; S272-R278 PolarHBondContact OG-NH1 3.11Å; S272-S282 VanDerWaalsContact CB-O 3.27Å; S272-S282 WeakPolarHBondContact CB-O 3.4Å; S272-S282 PolarHBondContact OG-O 3.01Å
273P96.2Very high96.9Very high16 Ų1636.3 Ų36.310%0.10419%0.192CC..  trans-64.9143.3-177.928.5-34.1000110.6T109 Y271 R278T109-P273 HydrophobicContact CG2-CB 3.38Å; T109-P273 HydrophobicContact CG2-CG 3.8Å; Y271-P273 HydrophobicContact CE1-CB 4.42Å; Y271-P273 HydrophobicContact CE1-CG 4.2Å; P273-R278 PolarHBondContact O-NH1 3.12Å
274G94.7Very high97Very high23 Ų2332.9 Ų32.924%0.23717%0.171CC..SBendtrans138.9-179.5-179.900000114R340G274-R340 PolarHBondContact O-NH2 2.82Å
275S94.1Very high97Very high38 Ų3832.1 Ų32.127%0.26617%0.173SC..  trans-60163.3175.350.70000112.3D277 R278S275-D277 PolarHBondContact OG-O 2.84Å; S275-R278 PolarHBondContact O-NE 3.16Å; S275-R278 PolarHBondContact O-NH2 2.78Å; S275-R278 WeakPolarHBondContact OG-CG 3.4Å
276E95.7Very high96.9Very high65 Ų6536.4 Ų36.430%0.30419%0.191SC..SBendtrans-76.7-14.4176-65.3-174.4-179.200112.7V339 R340 S344 K347E276-V339 CarbonylContact O-C 3.44Å; E276-V339 VanDerWaalsContact O-CA 3.27Å; E276-V339 WeakPolarHBondContact O-CA 3.32Å; E276-R340 HydrophobicContact CB-CB 4.18Å; E276-R340 PolarHBondContact O-N 2.88Å; E276-S344 WeakPolarHBondContact OE2-CB 3.47Å; E276-S344 PolarHBondContact OE2-OG 2.98Å; E276-K347 IonicContact OE2-NZ 3.81Å
277D95.8Very high96.8Very high32 Ų3239.2 Ų39.217%0.17121%0.206CC..EExtended strand (participates in β ladder)trans-122.7118176.258.8-65.8000109.8S275 T337 V339 F348 K350S275-D277 PolarHBondContact OG-O 2.84Å; D277-T337 HydrophobicContact CB-CG2 4.35Å; D277-V339 HydrophobicContact CB-CG1 4Å; D277-F348 HydrophobicContact CB-CD2 3.73Å; D277-F348 HydrophobicContact CB-CE2 4.15Å; D277-K350 WeakPolarHBondContact OD2-CD 3.46Å; D277-K350 VanDerWaalsContact OD2-CE 3.26Å; D277-K350 WeakPolarHBondContact OD2-CE 3.41Å; D277-K350 IonicContact OD2-NZ 2.72Å; D277-K350 PolarHBondContact OD2-NZ 3.11Å
278R96Very high96.7Very high7 Ų736.8 Ų36.83%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-150.8151.7-177.4-65.5178.7-87.1179.5-12.5111.8S272 P273 S275 F280 W281 I338S272-R278 PolarHBondContact O-NH2 3.36Å; S272-R278 PolarHBondContact OG-NH1 3.11Å; P273-R278 PolarHBondContact O-NH1 3.12Å; S275-R278 PolarHBondContact O-NE 3.16Å; S275-R278 PolarHBondContact O-NH2 2.78Å; S275-R278 WeakPolarHBondContact OG-CG 3.4Å; R278-F280 WeakPolarHBondContact CB-O 3.29Å; R278-W281 HydrophobicContact CB-CZ2 4.33Å; R278-W281 PolarHBondContact O-NE1 3.18Å; R278-I338 PolarHBondContact N-O 3.15Å; R278-I338 CarbonylContact O-C 3.4Å; R278-I338 WeakPolarHBondContact O-CA 3.2Å; R278-I338 WeakPolarHBondContact O-CB 3.22Å; R278-I338 PolarHBondContact O-N 3.45Å
279I97.8Very high96.7Very high3 Ų335.2 Ų35.22%0.01521%0.206CC..SBendtrans-76.5-42.6169.8-57.5-44.9000111V253 Y331 S332 W336 T337 D353 H354 Y356V253-I279 HydrophobicContact CG1-CD1 4.49Å; I279-Y331 CarbonylContact O-C 3.56Å; I279-Y331 WeakPolarHBondContact O-CA 3.5Å; I279-S332 PolarHBondContact O-N 2.91Å; I279-S332 VanDerWaalsContact O-N 3.08Å; I279-W336 WeakPolarHBondContact CD1-O 3.24Å; I279-T337 HydrophobicContact CD1-CG2 4.18Å; I279-D353 HydrophobicContact CD1-CB 3.99Å; I279-D353 HydrophobicContact CG1-CB 3.95Å; I279-H354 VanDerWaalsContact CG1-O 3.31Å; I279-H354 WeakPolarHBondContact CG1-O 3.02Å; I279-Y356 HydrophobicContact CB-CE1 4.29Å; I279-Y356 HydrophobicContact CD1-CE1 3.74Å; I279-Y356 HydrophobicContact CD1-CE2 4.1Å; I279-Y356 WeakPolarHBondContact CD1-OH 3.49Å; I279-Y356 HydrophobicContact CG1-CD2 4.43Å; I279-Y356 HydrophobicContact CG1-CE1 4Å; I279-Y356 HydrophobicContact CG1-CE2 3.85Å; I279-Y356 HydrophobicContact CG2-CD1 3.26Å; I279-Y356 HydrophobicContact CG2-CD2 4.01Å; I279-Y356 HydrophobicContact CG2-CE1 3.38Å; I279-Y356 HydrophobicContact CG2-CE2 4.14Å; I279-Y356 HydrophobicContact CG2-CG 3.6Å
280F98.4Very high96.7Very high2 Ų235.7 Ų35.71%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-114.3139.8-176.8172.3-87.8000112F74 I75 R278 Y319 V329 V330F74-F280 HydrophobicContact CE1-CD2 4.25Å; F74-F280 AromaticContact CE1-CE2 3.87Å; F74-F280 HydrophobicContact CE1-CE2 3.87Å; F74-F280 AromaticContact CZ-CD2 3.77Å; F74-F280 HydrophobicContact CZ-CD2 3.77Å; F74-F280 AromaticContact CZ-CE2 3.84Å; F74-F280 HydrophobicContact CZ-CE2 3.84Å; I75-F280 HydrophobicContact CD1-CB 4.44Å; I75-F280 HydrophobicContact CD1-CD1 3.72Å; I75-F280 HydrophobicContact CD1-CE1 4.12Å; I75-F280 HydrophobicContact CD1-CG 4.08Å; I75-F280 HydrophobicContact CG2-CB 4.38Å; I75-F280 HydrophobicContact CG2-CD1 4.12Å; I75-F280 HydrophobicContact CG2-CD2 3.35Å; I75-F280 HydrophobicContact CG2-CE1 4.24Å; I75-F280 HydrophobicContact CG2-CE2 3.45Å; I75-F280 VanDerWaalsContact CG2-CE2 3.45Å; I75-F280 HydrophobicContact CG2-CG 3.7Å; I75-F280 HydrophobicContact CG2-CZ 3.95Å; R278-F280 WeakPolarHBondContact CB-O 3.29Å; F280-Y319 AromaticContact CE2-CE1 3.83Å; F280-Y319 HydrophobicContact CE2-CE1 3.83Å; F280-Y319 AromaticContact CZ-CE1 3.5Å; F280-Y319 HydrophobicContact CZ-CE1 3.5Å; F280-Y319 VanDerWaalsContact CZ-CE1 3.5Å; F280-Y319 AromaticContact CZ-CZ 3.67Å; F280-Y319 WeakPolarHBondContact CZ-OH 3.33Å; F280-V329 HydrophobicContact CD2-CG1 4.09Å; F280-V329 HydrophobicContact CE2-CB 4.35Å; F280-V329 HydrophobicContact CE2-CG1 3.33Å; F280-V329 HydrophobicContact CE2-CG2 4.2Å; F280-V329 HydrophobicContact CZ-CG1 4.04Å; F280-V329 HydrophobicContact CZ-CG2 4.08Å; F280-V330 CarbonylContact C-O 3.55Å; F280-V330 WeakPolarHBondContact CA-O 3.17Å
281W98.4Very high96.7Very high0 Ų037.1 Ų37.10%023%0.225CC..EExtended strand (participates in β ladder)trans-134.5116.7177.5-64.671.1000110.7L261 Y270 R278 L283 V330 I338 R340L261-W281 HydrophobicContact CD2-CD2 3.76Å; L261-W281 HydrophobicContact CD2-CE3 3.45Å; L261-W281 VanDerWaalsContact CD2-CE3 3.45Å; L261-W281 HydrophobicContact CD2-CG 4.44Å; L261-W281 HydrophobicContact CD2-CH2 4.17Å; L261-W281 HydrophobicContact CD2-CZ2 4.43Å; L261-W281 HydrophobicContact CD2-CZ3 3.65Å; Y270-W281 HydrophobicContact CE2-CE3 4.29Å; Y270-W281 HydrophobicContact CE2-CZ3 4.2Å; R278-W281 HydrophobicContact CB-CZ2 4.33Å; R278-W281 PolarHBondContact O-NE1 3.18Å; W281-L283 HydrophobicContact CB-CD2 3.88Å; W281-L283 HydrophobicContact CE3-CD2 4.18Å; W281-V330 HydrophobicContact CB-CB 4.25Å; W281-V330 PolarHBondContact N-O 3.5Å; W281-V330 PolarHBondContact O-N 3.15Å; W281-I338 HydrophobicContact CZ2-CG2 4.47Å; W281-I338 PolarHBondContact NE1-O 3.38Å; W281-R340 HydrophobicContact CH2-CB 3.8Å; W281-R340 HydrophobicContact CH2-CG 4.12Å
282S98.2Very high96.7Very high10 Ų1036.3 Ų36.37%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-93111.7165.7167.50000109.4S272 G326S272-S282 VanDerWaalsContact CB-O 3.27Å; S272-S282 WeakPolarHBondContact CB-O 3.4Å; S272-S282 PolarHBondContact OG-O 3.01Å; S282-G326 VanDerWaalsContact OG-CA 3.24Å; S282-G326 WeakPolarHBondContact OG-CA 3.33Å; S282-G326 PolarHBondContact OG-N 3.24Å
283L98.6Very high96.7Very high0 Ų039.2 Ų39.20%024%0.24CC..EExtended strand (participates in β ladder)trans-101.5132-173.4-47.9179.6000112L261 I265 Y270 W281 L294 L298 P327 V328 V330L261-L283 HydrophobicContact CD2-CD2 4.36Å; I265-L283 HydrophobicContact CD1-CD1 3.96Å; Y270-L283 HydrophobicContact CD2-CB 4.49Å; Y270-L283 HydrophobicContact CD2-CD2 3.57Å; Y270-L283 HydrophobicContact CE2-CD2 3.75Å; Y270-L283 HydrophobicContact CG-CD2 4.32Å; W281-L283 HydrophobicContact CB-CD2 3.88Å; W281-L283 HydrophobicContact CE3-CD2 4.18Å; L283-L294 HydrophobicContact CB-CD1 4.2Å; L283-L298 HydrophobicContact CD1-CD1 3.65Å; L283-P327 VanDerWaalsContact O-CD 3.31Å; L283-P327 WeakPolarHBondContact O-CD 3.49Å; L283-V328 HydrophobicContact CB-CB 4.23Å; L283-V328 HydrophobicContact CD1-CB 4.49Å; L283-V328 HydrophobicContact CD1-CG1 4.33Å; L283-V328 PolarHBondContact N-O 3.48Å; L283-V328 PolarHBondContact O-N 2.93Å; L283-V330 HydrophobicContact CD1-CG2 3.72Å; L283-V330 HydrophobicContact CG-CG2 4.25Å
284W98.4Very high96.9Very high35 Ų3538.5 Ų38.513%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-111.3116.1175.6-61.685.9000109.6Y102 P104 Y270 Y271 R323Y102-W284 AromaticContact CD1-CD2 3.8Å; Y102-W284 HydrophobicContact CD1-CD2 3.8Å; Y102-W284 AromaticContact CD1-CE2 3.72Å; Y102-W284 HydrophobicContact CD1-CE3 4.13Å; Y102-W284 HydrophobicContact CD1-CG 4.27Å; Y102-W284 HydrophobicContact CD1-CH2 4.32Å; Y102-W284 AromaticContact CD1-CZ2 3.99Å; Y102-W284 HydrophobicContact CD1-CZ2 3.99Å; Y102-W284 HydrophobicContact CD1-CZ3 4.38Å; Y102-W284 HydrophobicContact CE1-CD2 4.47Å; Y102-W284 HydrophobicContact CE1-CE3 4.41Å; P104-W284 HydrophobicContact CB-CH2 4.32Å; P104-W284 HydrophobicContact CB-CZ3 4.1Å; P104-W284 HydrophobicContact CG-CH2 3.67Å; P104-W284 HydrophobicContact CG-CZ3 3.85Å; Y270-W284 CarbonylContact C-O 3.57Å; Y270-W284 WeakPolarHBondContact CA-O 3.34Å; Y271-W284 PolarHBondContact N-O 3.26Å; Y271-W284 WeakPolarHBondContact O-CB 3.29Å; Y271-W284 PolarHBondContact O-N 2.69Å; W284-R323 WeakPolarHBondContact CH2-O 3.22Å
285P98.2Very high97.1Very high41 Ų4140.6 Ų40.627%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-60144.4-179.2-19.128.7000113.4M269 S289 L294M269-P285 WeakPolarHBondContact O-CA 3.35Å; P285-S289 WeakPolarHBondContact CB-O 3.33Å; P285-L294 HydrophobicContact CB-CD1 4.12Å; P285-L294 HydrophobicContact CG-CD1 3.9Å
286K96.7Very high97.3Very high93 Ų9345.1 Ų45.140%0.40425%0.251SS..  trans-134.4166.6178.1-62.9-173.894.1-173.10112.1M269 G288 S289M269-K286 PolarHBondContact O-N 3.18Å; K286-G288 VanDerWaalsContact C-N 3.26Å; K286-G288 PolarHBondContact O-N 2.87Å; K286-G288 VanDerWaalsContact O-N 3.15Å; K286-S289 WeakPolarHBondContact O-CB 3.39Å; K286-S289 PolarHBondContact O-N 3.46Å; K286-S289 PolarHBondContact O-OG 3.27Å
287D93Very high97.4Very high124 Ų12446.1 Ų46.166%0.66326%0.255SS*.THydrogen-bonded Turntrans50.742.3168.6-56.1-11.7000113.8S268 S289S268-D287 WeakPolarHBondContact O-CB 3.2Å; D287-S289 VanDerWaalsContact C-N 3.27Å; D287-S289 PolarHBondContact O-N 3.02Å
288G92.7Very high97.5Very high82 Ų8244.6 Ų44.685%0.84525%0.247SC*.THydrogen-bonded Turntrans82.3-6.1179.700000115.1K286K286-G288 VanDerWaalsContact C-N 3.26Å; K286-G288 PolarHBondContact O-N 2.87Å; K286-G288 VanDerWaalsContact O-N 3.15Å
289S96.6Very high97.6Very high30 Ų3047 Ų4721%0.2126%0.262CS..  trans-65.4138.2170-55.10000109.8P285 K286 D287P285-S289 WeakPolarHBondContact CB-O 3.33Å; K286-S289 WeakPolarHBondContact O-CB 3.39Å; K286-S289 PolarHBondContact O-N 3.46Å; K286-S289 PolarHBondContact O-OG 3.27Å; D287-S289 VanDerWaalsContact C-N 3.27Å; D287-S289 PolarHBondContact O-N 3.02Å
290S97.8Very high97.6Very high40 Ų4050.3 Ų50.328%0.2830%0.297SS..  trans-96164172.169.50000111.8I292 D293 L294S290-I292 PolarHBondContact O-N 2.91Å; S290-I292 WeakPolarHBondContact OG-CG2 3.46Å; S290-D293 WeakPolarHBondContact CB-OD2 3.36Å; S290-D293 PolarHBondContact N-OD2 2.89Å; S290-D293 PolarHBondContact O-N 3.43Å; S290-D293 PolarHBondContact OG-N 3.26Å; S290-D293 VanDerWaalsContact OG-N 3.12Å; S290-D293 PolarHBondContact OG-OD2 2.96Å; S290-L294 PolarHBondContact O-N 3.3Å
291S98.1Very high97.6Very high45 Ų4555.7 Ų55.732%0.31532%0.32SS..Hα-helixtrans-59.8-34.7171.952.90000111.9Y295 V328S291-Y295 VanDerWaalsContact O-CB 3.31Å; S291-Y295 WeakPolarHBondContact O-CB 3.44Å; S291-Y295 PolarHBondContact O-N 3.26Å; S291-V328 VanDerWaalsContact O-CG2 3.32Å; S291-V328 WeakPolarHBondContact O-CG2 3.44Å
292I98.3Very high97.6Very high67 Ų6757.3 Ų57.334%0.34433%0.328SS..Hα-helixtrans-70.2-32.5177.3-165.867.2000112.1S290 Y295 K296 L309S290-I292 PolarHBondContact O-N 2.91Å; S290-I292 WeakPolarHBondContact OG-CG2 3.46Å; I292-Y295 HydrophobicContact CD1-CD1 4.06Å; I292-K296 HydrophobicContact CG1-CD 4.21Å; I292-K296 HydrophobicContact CG1-CG 4.43Å; I292-K296 WeakPolarHBondContact O-CB 3.46Å; I292-K296 VanDerWaalsContact O-CG 3.28Å; I292-K296 WeakPolarHBondContact O-CG 3.33Å; I292-K296 PolarHBondContact O-N 3.29Å; I292-L309 HydrophobicContact CD1-CD1 4.19Å
293D97.8Very high97.6Very high71 Ų7162.4 Ų62.438%0.3836%0.361SS..Hα-helixtrans-67-46.2175.4-61.9-40.5000111.3S290 K297S290-D293 WeakPolarHBondContact CB-OD2 3.36Å; S290-D293 PolarHBondContact N-OD2 2.89Å; S290-D293 PolarHBondContact O-N 3.43Å; S290-D293 PolarHBondContact OG-N 3.26Å; S290-D293 VanDerWaalsContact OG-N 3.12Å; S290-D293 PolarHBondContact OG-OD2 2.96Å; D293-K297 WeakPolarHBondContact O-CB 3.12Å; D293-K297 WeakPolarHBondContact O-CG 3.26Å; D293-K297 PolarHBondContact O-N 3.34Å; D293-K297 VanDerWaalsContact O-N 3.07Å
294L98.6Very high97.6Very high1 Ų166.3 Ų66.31%0.00538%0.378CS..Hα-helixtrans-59.9-49.1174.3-67.4-175.7000110.9I265 M269 L283 P285 S290 K296 K297 L298 V328I265-L294 HydrophobicContact CB-CD2 4.43Å; I265-L294 HydrophobicContact CD1-CD2 4.43Å; I265-L294 HydrophobicContact CG2-CD2 4Å; M269-L294 HydrophobicContact CB-CD2 3.78Å; L283-L294 HydrophobicContact CB-CD1 4.2Å; P285-L294 HydrophobicContact CB-CD1 4.12Å; P285-L294 HydrophobicContact CG-CD1 3.9Å; S290-L294 PolarHBondContact O-N 3.3Å; L294-K296 PolarHBondContact O-N 2.84Å; L294-K297 PolarHBondContact O-N 3.17Å; L294-L298 WeakPolarHBondContact O-CD1 3.37Å; L294-L298 WeakPolarHBondContact O-CG 3.32Å; L294-L298 PolarHBondContact O-N 3.35Å; L294-V328 HydrophobicContact CB-CG2 4.07Å
295Y98.7Very high97.6Very high66 Ų6665.1 Ų65.126%0.25937%0.374SS..Hα-helixtrans-56.5-51.3179174.5-98.8000111.9S291 I292 K297 L298 V299 V307 L309S291-Y295 VanDerWaalsContact O-CB 3.31Å; S291-Y295 WeakPolarHBondContact O-CB 3.44Å; S291-Y295 PolarHBondContact O-N 3.26Å; I292-Y295 HydrophobicContact CD1-CD1 4.06Å; Y295-K297 VanDerWaalsContact C-N 3.26Å; Y295-K297 PolarHBondContact O-N 2.99Å; Y295-L298 PolarHBondContact O-N 3.29Å; Y295-V299 HydrophobicContact CD1-CG1 4.2Å; Y295-V299 HydrophobicContact CD2-CB 4.38Å; Y295-V299 HydrophobicContact CE1-CB 4.19Å; Y295-V299 HydrophobicContact CE1-CG1 3.87Å; Y295-V299 HydrophobicContact CE1-CG2 4.41Å; Y295-V299 HydrophobicContact CE2-CB 3.98Å; Y295-V299 HydrophobicContact CE2-CG2 4.02Å; Y295-V299 WeakPolarHBondContact O-CB 3.25Å; Y295-V299 WeakPolarHBondContact O-CG1 3.16Å; Y295-V299 PolarHBondContact O-N 2.98Å; Y295-V307 HydrophobicContact CD2-CG1 3.8Å; Y295-V307 HydrophobicContact CE2-CG1 4.23Å; Y295-L309 HydrophobicContact CD1-CG 4.47Å; Y295-L309 HydrophobicContact CD2-CD2 4.24Å; Y295-L309 HydrophobicContact CD2-CG 3.86Å; Y295-L309 HydrophobicContact CE2-CG 4.35Å; Y295-L309 HydrophobicContact CG-CD2 4.03Å; Y295-L309 HydrophobicContact CG-CG 3.93Å
296K98.4Very high97.6Very high134 Ų13465.1 Ų65.158%0.58337%0.372SS*.Hα-helixtrans-62.3-31.3179.1-76174.4176.7173.50113.3I292 L294 L298I292-K296 HydrophobicContact CG1-CD 4.21Å; I292-K296 HydrophobicContact CG1-CG 4.43Å; I292-K296 WeakPolarHBondContact O-CB 3.46Å; I292-K296 VanDerWaalsContact O-CG 3.28Å; I292-K296 WeakPolarHBondContact O-CG 3.33Å; I292-K296 PolarHBondContact O-N 3.29Å; L294-K296 PolarHBondContact O-N 2.84Å; K296-L298 VanDerWaalsContact C-N 3.3Å
297K98.4Very high97.7Very high86 Ų8661.3 Ų61.337%0.37436%0.356SS..Hα-helixtrans-72.1-23.6176.4-80.9175169.1-75.90113I265 M269 D293 L294 Y295 K301I265-K297 HydrophobicContact CG2-CB 3.78Å; I265-K297 HydrophobicContact CG2-CD 4.01Å; M269-K297 HydrophobicContact SD-CD 4.04Å; D293-K297 WeakPolarHBondContact O-CB 3.12Å; D293-K297 WeakPolarHBondContact O-CG 3.26Å; D293-K297 PolarHBondContact O-N 3.34Å; D293-K297 VanDerWaalsContact O-N 3.07Å; L294-K297 PolarHBondContact O-N 3.17Å; Y295-K297 VanDerWaalsContact C-N 3.26Å; Y295-K297 PolarHBondContact O-N 2.99Å; K297-K301 WeakPolarHBondContact O-CE 3.17Å; K297-K301 WeakPolarHBondContact O-CG 3.28Å
298L98.7Very high98Very high0 Ų057.7 Ų57.70%033%0.334CS..Hα-helixtrans-109.4-40.1-172.3-65.8166.9000113.7L261 Y264 I265 L283 L294 Y295 K296 G300 K301 M305 V307 V330L261-L298 HydrophobicContact CD1-CD2 3.68Å; Y264-L298 HydrophobicContact CD2-CD2 4.32Å; Y264-L298 HydrophobicContact CG-CD2 4.38Å; I265-L298 HydrophobicContact CD1-CD1 4.31Å; I265-L298 HydrophobicContact CD1-CD2 4.45Å; I265-L298 HydrophobicContact CG1-CD2 4.43Å; I265-L298 HydrophobicContact CG2-CD1 4.4Å; I265-L298 HydrophobicContact CG2-CD2 4.09Å; I265-L298 HydrophobicContact CG2-CG 4.03Å; L283-L298 HydrophobicContact CD1-CD1 3.65Å; L294-L298 WeakPolarHBondContact O-CD1 3.37Å; L294-L298 WeakPolarHBondContact O-CG 3.32Å; L294-L298 PolarHBondContact O-N 3.35Å; Y295-L298 PolarHBondContact O-N 3.29Å; K296-L298 VanDerWaalsContact C-N 3.3Å; L298-G300 PolarHBondContact O-N 2.91Å; L298-K301 WeakPolarHBondContact O-CB 3.27Å; L298-K301 WeakPolarHBondContact O-CG 3.47Å; L298-K301 PolarHBondContact O-N 2.68Å; L298-K301 VanDerWaalsContact O-N 3.08Å; L298-M305 HydrophobicContact CB-CE 4.24Å; L298-M305 HydrophobicContact CD2-CE 4.18Å; L298-M305 HydrophobicContact CD2-SD 4.42Å; L298-M305 WeakPolarHBondContact O-CE 3.25Å; L298-V307 HydrophobicContact CB-CB 4.46Å; L298-V307 HydrophobicContact CB-CG1 3.87Å; L298-V307 HydrophobicContact CB-CG2 3.79Å; L298-V307 HydrophobicContact CD1-CG1 4.49Å; L298-V330 HydrophobicContact CD1-CG2 3.82Å
299V98.4Very high98.3Very high56 Ų5655.4 Ų55.434%0.33930%0.302SS..THydrogen-bonded Turntrans-58.2129-173.8690000111Y295 K301 V307Y295-V299 HydrophobicContact CD1-CG1 4.2Å; Y295-V299 HydrophobicContact CD2-CB 4.38Å; Y295-V299 HydrophobicContact CE1-CB 4.19Å; Y295-V299 HydrophobicContact CE1-CG1 3.87Å; Y295-V299 HydrophobicContact CE1-CG2 4.41Å; Y295-V299 HydrophobicContact CE2-CB 3.98Å; Y295-V299 HydrophobicContact CE2-CG2 4.02Å; Y295-V299 WeakPolarHBondContact O-CB 3.25Å; Y295-V299 WeakPolarHBondContact O-CG1 3.16Å; Y295-V299 PolarHBondContact O-N 2.98Å; V299-K301 PolarHBondContact O-N 3.27Å; V299-V307 HydrophobicContact CB-CB 4.37Å
300G98.1Very high98.3Very high74 Ų7455.9 Ų55.976%0.76330%0.301SS*.THydrogen-bonded Turntrans67.49.6179.400000115.5L298L298-G300 PolarHBondContact O-N 2.91Å
301K98.3Very high98.3Very high114 Ų11460.9 Ų60.950%0.49632%0.324SS..SBendtrans-78.2-27178.4-65.5-52.4-177.5-178.10114.5Y264 K297 L298 V299 M305Y264-K301 HydrophobicContact CD1-CB 3.7Å; Y264-K301 HydrophobicContact CD1-CD 4.44Å; Y264-K301 HydrophobicContact CD1-CG 3.79Å; Y264-K301 HydrophobicContact CE1-CB 3.51Å; Y264-K301 HydrophobicContact CE1-CG 4.08Å; Y264-K301 HydrophobicContact CG-CB 4.33Å; Y264-K301 HydrophobicContact CG-CG 4.42Å; K297-K301 WeakPolarHBondContact O-CE 3.17Å; K297-K301 WeakPolarHBondContact O-CG 3.28Å; L298-K301 WeakPolarHBondContact O-CB 3.27Å; L298-K301 WeakPolarHBondContact O-CG 3.47Å; L298-K301 PolarHBondContact O-N 2.68Å; L298-K301 VanDerWaalsContact O-N 3.08Å; V299-K301 PolarHBondContact O-N 3.27Å; K301-M305 HydrophobicContact CB-CE 4.14Å
302H98.3Very high98.3Very high35 Ų3563.7 Ų63.716%0.16234%0.336CS..SBendtrans-139.6132.8175.9-166.7-88.8000109.7K304 M305 W336H302-K304 PolarHBondContact ND1-N 2.78Å; H302-K304 PolarHBondContact O-N 2.96Å; H302-M305 HydrophobicContact CB-CB 3.94Å; H302-M305 HydrophobicContact CB-CE 4.31Å; H302-M305 PolarHBondContact O-N 2.87Å; H302-M305 VanDerWaalsContact O-N 3.16Å; H302-W336 AromaticContact CE1-CE3 3.68Å; H302-W336 AromaticContact CE1-CH2 3.58Å; H302-W336 AromaticContact CE1-CZ3 3.36Å; H302-W336 WeakPolarHBondContact CE1-CZ3 3.4Å; H302-W336 AromaticContact NE2-CH2 3.71Å; H302-W336 AromaticContact NE2-CZ3 3.53Å
303P97.7Very high98.3Very high116 Ų11661 Ų6175%0.75332%0.322SS*.THydrogen-bonded Turntrans-69-7.1-174.928.5-36.9000114.3
304K98.1Very high98.3Very high83 Ų8359.4 Ų59.436%0.36132%0.315SS..THydrogen-bonded Turntrans-116.819.2179.8-55.9-68.2-178-176.90112.6I259 H302 S332 E333 W336I259-K304 HydrophobicContact CD1-CB 4.44Å; I259-K304 WeakPolarHBondContact CD1-O 3.33Å; H302-K304 PolarHBondContact ND1-N 2.78Å; H302-K304 PolarHBondContact O-N 2.96Å; K304-S332 VanDerWaalsContact O-CA 3.26Å; K304-S332 WeakPolarHBondContact O-CA 3.36Å; K304-E333 HydrophobicContact CB-CB 4.21Å; K304-E333 HydrophobicContact CB-CG 4.23Å; K304-E333 HydrophobicContact CD-CB 3.89Å; K304-E333 HydrophobicContact CD-CG 3.81Å; K304-E333 PolarHBondContact O-N 3.28Å; K304-E333 VanDerWaalsContact O-N 3.11Å; K304-W336 HydrophobicContact CB-CB 4.46Å; K304-W336 HydrophobicContact CB-CD2 3.93Å; K304-W336 HydrophobicContact CB-CG 3.82Å; K304-W336 HydrophobicContact CG-CD2 4.14Å; K304-W336 HydrophobicContact CG-CG 4.23Å; K304-W336 HydrophobicContact CG-CZ2 4.16Å
305M98.4Very high98.3Very high10 Ų1065.4 Ų65.45%0.04935%0.347CS..EExtended strand (participates in β ladder)trans-124.6112.5178.5-173.5172.662.100108.9I259 Y264 L298 K301 H302 V307 V330 I338I259-M305 HydrophobicContact CD1-CB 4.06Å; I259-M305 HydrophobicContact CG2-SD 3.97Å; Y264-M305 HydrophobicContact CD2-CE 4.39Å; Y264-M305 HydrophobicContact CE2-CE 4.36Å; L298-M305 HydrophobicContact CB-CE 4.24Å; L298-M305 HydrophobicContact CD2-CE 4.18Å; L298-M305 HydrophobicContact CD2-SD 4.42Å; L298-M305 WeakPolarHBondContact O-CE 3.25Å; K301-M305 HydrophobicContact CB-CE 4.14Å; H302-M305 HydrophobicContact CB-CB 3.94Å; H302-M305 HydrophobicContact CB-CE 4.31Å; H302-M305 PolarHBondContact O-N 2.87Å; H302-M305 VanDerWaalsContact O-N 3.16Å; M305-V307 HydrophobicContact CE-CG2 4.16Å; M305-V307 HydrophobicContact CG-CG2 4Å; M305-V307 HydrophobicContact SD-CG2 4.49Å; M305-V330 HydrophobicContact CG-CG1 3.47Å; M305-V330 VanDerWaalsContact CG-CG1 3.47Å; M305-V330 HydrophobicContact SD-CG1 3.75Å; M305-I338 HydrophobicContact CG-CD1 4.18Å
306N98.5Very high98.2Very high41 Ų4166.8 Ų66.822%0.21936%0.355CS..EExtended strand (participates in β ladder)trans-88.3133.2174-61.2-57.6000109F308 V330 Y331 E333N306-F308 HydrophobicContact CB-CE2 3.95Å; N306-V330 CarbonylContact O-C 3.51Å; N306-V330 VanDerWaalsContact O-CA 3.25Å; N306-V330 WeakPolarHBondContact O-CA 3.44Å; N306-Y331 HydrophobicContact CB-CD1 4.09Å; N306-Y331 HydrophobicContact CB-CD2 4.07Å; N306-Y331 HydrophobicContact CB-CE1 3.78Å; N306-Y331 HydrophobicContact CB-CE2 3.77Å; N306-Y331 HydrophobicContact CB-CG 4.24Å; N306-Y331 PolarHBondContact N-O 3.38Å; N306-Y331 VanDerWaalsContact ND2-CE2 3.3Å; N306-Y331 WeakPolarHBondContact ND2-CE2 3.4Å; N306-Y331 PolarHBondContact O-N 3.29Å; N306-E333 PolarHBondContact ND2-OE1 3.31Å
307V98.7Very high98.1Very high12 Ų1260.6 Ų60.67%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-135.7120.8-175.2-174.50000108.3Y295 L298 V299 M305 V328 V329 V330Y295-V307 HydrophobicContact CD2-CG1 3.8Å; Y295-V307 HydrophobicContact CE2-CG1 4.23Å; L298-V307 HydrophobicContact CB-CB 4.46Å; L298-V307 HydrophobicContact CB-CG1 3.87Å; L298-V307 HydrophobicContact CB-CG2 3.79Å; L298-V307 HydrophobicContact CD1-CG1 4.49Å; V299-V307 HydrophobicContact CB-CB 4.37Å; M305-V307 HydrophobicContact CE-CG2 4.16Å; M305-V307 HydrophobicContact CG-CG2 4Å; M305-V307 HydrophobicContact SD-CG2 4.49Å; V307-V328 HydrophobicContact CG1-CG1 4.04Å; V307-V329 WeakPolarHBondContact CA-O 3.23Å; V307-V330 HydrophobicContact CG1-CG2 4.37Å; V307-V330 HydrophobicContact CG2-CG1 4.18Å
308F98.7Very high98.1Very high48 Ų4859.5 Ų59.521%0.21132%0.324CS..EExtended strand (participates in β ladder)trans-127139.5178.5-63.3-81.5000110.3N306 N312 I313 P314 V328 V329 Y331N306-F308 HydrophobicContact CB-CE2 3.95Å; F308-N312 WeakPolarHBondContact CD1-O 3.47Å; F308-I313 HydrophobicContact CB-CG1 3.62Å; F308-I313 HydrophobicContact CG-CG1 4.27Å; F308-P314 HydrophobicContact CE1-CG 4.1Å; F308-P314 HydrophobicContact CZ-CG 3.99Å; F308-V328 WeakPolarHBondContact O-CA 3.45Å; F308-V329 PolarHBondContact N-O 3.12Å; F308-V329 PolarHBondContact O-N 3.44Å; F308-Y331 AromaticContact CD2-CE1 3.88Å; F308-Y331 HydrophobicContact CD2-CE1 3.88Å; F308-Y331 AromaticContact CE2-CE1 3.71Å; F308-Y331 HydrophobicContact CE2-CE1 3.71Å; F308-Y331 AromaticContact CE2-CZ 3.95Å
309L98.7Very high98.1Very high34 Ų3459.5 Ų59.518%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-66.1142.6151.9-67.4173.5000107.4I292 Y295 D311 N312 I313 V328I292-L309 HydrophobicContact CD1-CD1 4.19Å; Y295-L309 HydrophobicContact CD1-CG 4.47Å; Y295-L309 HydrophobicContact CD2-CD2 4.24Å; Y295-L309 HydrophobicContact CD2-CG 3.86Å; Y295-L309 HydrophobicContact CE2-CG 4.35Å; Y295-L309 HydrophobicContact CG-CD2 4.03Å; Y295-L309 HydrophobicContact CG-CG 3.93Å; L309-D311 PolarHBondContact O-N 2.93Å; L309-D311 VanDerWaalsContact O-N 3.15Å; L309-N312 HydrophobicContact CB-CB 4.44Å; L309-N312 CarbonylContact O-C 3.59Å; L309-N312 WeakPolarHBondContact O-CA 3.4Å; L309-N312 PolarHBondContact O-N 2.95Å; L309-I313 PolarHBondContact O-N 3.15Å; L309-V328 HydrophobicContact CD2-CG2 4.19Å
310K98.4Very high98Very high40 Ų4057.7 Ų57.717%0.17431%0.314CS..G310 helixtrans-48.3-45-176.8178.7180174.4173.40114N312 I313 S320 S322 I325 P327K310-N312 PolarHBondContact O-N 2.91Å; K310-I313 WeakPolarHBondContact O-CG1 3.42Å; K310-I313 PolarHBondContact O-N 3.4Å; K310-S320 WeakPolarHBondContact CE-O 3.39Å; K310-S320 WeakPolarHBondContact O-CB 3.31Å; K310-S322 WeakPolarHBondContact CE-O 3.49Å; K310-S322 PolarHBondContact NZ-O 3.05Å; K310-I325 HydrophobicContact CD-CB 4.41Å; K310-I325 HydrophobicContact CD-CG2 4.27Å; K310-I325 HydrophobicContact CG-CG2 4.17Å; K310-I325 PolarHBondContact NZ-O 3.14Å; K310-I325 VanDerWaalsContact NZ-O 3.08Å; K310-P327 PolarHBondContact N-O 3.08Å
311D97.3Very high97.9Very high145 Ų14559.6 Ų59.678%0.77531%0.307SS*.G310 helixtrans-75.1-4.6-178.3-56.5-31.7000113.2L309L309-D311 PolarHBondContact O-N 2.93Å; L309-D311 VanDerWaalsContact O-N 3.15Å
312N98.2Very high97.8Very high105 Ų10554.7 Ų54.756%0.56129%0.287SS*.G310 helixtrans-114.97.3178.8-60.4120.1000113.2F308 L309 K310F308-N312 WeakPolarHBondContact CD1-O 3.47Å; L309-N312 HydrophobicContact CB-CB 4.44Å; L309-N312 CarbonylContact O-C 3.59Å; L309-N312 WeakPolarHBondContact O-CA 3.4Å; L309-N312 PolarHBondContact O-N 2.95Å; K310-N312 PolarHBondContact O-N 2.91Å
313I98.2Very high97.8Very high11 Ų1158 Ų586%0.05630%0.298CS..SBendtrans-61.9135.7171.6-66.2168.8000108.3F308 L309 K310 I315 L317 Y319 V329F308-I313 HydrophobicContact CB-CG1 3.62Å; F308-I313 HydrophobicContact CG-CG1 4.27Å; L309-I313 PolarHBondContact O-N 3.15Å; K310-I313 WeakPolarHBondContact O-CG1 3.42Å; K310-I313 PolarHBondContact O-N 3.4Å; I313-I315 PolarHBondContact O-N 2.85Å; I313-L317 HydrophobicContact CG2-CB 4.28Å; I313-L317 HydrophobicContact CG2-CD1 4.08Å; I313-Y319 HydrophobicContact CD1-CD1 4.2Å; I313-Y319 WeakPolarHBondContact CD1-O 3.25Å; I313-V329 HydrophobicContact CD1-CB 3.9Å; I313-V329 HydrophobicContact CD1-CG1 4.35Å; I313-V329 HydrophobicContact CD1-CG2 3.68Å; I313-V329 HydrophobicContact CG1-CB 4.5Å
314P97.9Very high97.8Very high36 Ų3652.5 Ų52.523%0.23426%0.262CS..  trans-51.3129.2178.6-28.534.4000112.7F308 H316 L317F308-P314 HydrophobicContact CE1-CG 4.1Å; F308-P314 HydrophobicContact CZ-CG 3.99Å; P314-H316 VanDerWaalsContact CB-CE1 3.4Å; P314-H316 WeakPolarHBondContact CB-CE1 3.45Å; P314-H316 PolarHBondContact O-N 3.47Å; P314-H316 VanDerWaalsContact O-N 3.11Å; P314-L317 HydrophobicContact CB-CD1 4.23Å; P314-L317 HydrophobicContact CB-CG 4.27Å; P314-L317 HydrophobicContact CG-CD1 4.2Å; P314-L317 WeakPolarHBondContact O-CB 3.29Å; P314-L317 PolarHBondContact O-N 3.25Å
315I97.1Very high97.8Very high128 Ų12848.6 Ų48.666%0.65625%0.245SC*.G310 helixtrans-59.7-29.1-171.5-169.362000113.8I313 L317 H318I313-I315 PolarHBondContact O-N 2.85Å; I315-L317 PolarHBondContact O-N 3.28Å; I315-H318 PolarHBondContact O-N 3.16Å
316H96.6Very high97.8Very high95 Ų9548.1 Ų48.144%0.4424%0.243SC..G310 helixtrans-71.7-16.7-179.970.9-91.7000113.1P314 H318 D359P314-H316 VanDerWaalsContact CB-CE1 3.4Å; P314-H316 WeakPolarHBondContact CB-CE1 3.45Å; P314-H316 PolarHBondContact O-N 3.47Å; P314-H316 VanDerWaalsContact O-N 3.11Å; H316-H318 VanDerWaalsContact C-N 3.27Å; H316-H318 PolarHBondContact O-CD2 3.22Å; H316-D359 IonicContact NE2-OD2 3.41Å
317L98.2Very high97.8Very high3 Ų348.1 Ų48.12%0.01625%0.245CC..G310 helixtrans-79.5-11175.7-63.1178.8000112.5F74 I313 P314 I315 Y319 P358F74-L317 HydrophobicContact CB-CB 4.05Å; F74-L317 HydrophobicContact CB-CD2 3.92Å; F74-L317 HydrophobicContact CB-CG 4.47Å; F74-L317 HydrophobicContact CD1-CB 4.22Å; F74-L317 HydrophobicContact CD1-CD1 4.29Å; F74-L317 HydrophobicContact CD2-CD2 4.42Å; F74-L317 HydrophobicContact CE1-CD1 4.47Å; F74-L317 HydrophobicContact CG-CB 4.28Å; F74-L317 HydrophobicContact CG-CD1 4.32Å; F74-L317 HydrophobicContact CG-CD2 4.16Å; F74-L317 HydrophobicContact CG-CG 4.5Å; I313-L317 HydrophobicContact CG2-CB 4.28Å; I313-L317 HydrophobicContact CG2-CD1 4.08Å; P314-L317 HydrophobicContact CB-CD1 4.23Å; P314-L317 HydrophobicContact CB-CG 4.27Å; P314-L317 HydrophobicContact CG-CD1 4.2Å; P314-L317 WeakPolarHBondContact O-CB 3.29Å; P314-L317 PolarHBondContact O-N 3.25Å; I315-L317 PolarHBondContact O-N 3.28Å; L317-Y319 PolarHBondContact O-N 2.92Å; L317-Y319 VanDerWaalsContact O-N 3.12Å; L317-P358 HydrophobicContact CD2-CG 3.89Å
318H97.8Very high97.8Very high63 Ų6347.5 Ų47.529%0.29224%0.241SC..  trans48.243.5178.8-60.8-70.1000113.5H90 E92 I315 H316H90-H318 HydrophobicContact CB-CB 3.78Å; H90-H318 AromaticContact CD2-CG 3.68Å; H90-H318 AromaticContact CD2-ND1 3.81Å; H90-H318 AromaticContact CE1-CD2 3.23Å; H90-H318 PolarHBondContact CE1-CD2 3.25Å; H90-H318 AromaticContact CE1-CG 3.55Å; H90-H318 AromaticContact CE1-NE2 3.61Å; H90-H318 AromaticContact CG-CG 3.73Å; H90-H318 AromaticContact ND1-CD2 3.6Å; H90-H318 AromaticContact ND1-CG 3.65Å; H90-H318 AromaticContact NE2-CD2 3.62Å; H90-H318 AromaticContact NE2-CE1 3.72Å; H90-H318 AromaticContact NE2-CG 3.61Å; H90-H318 AromaticContact NE2-ND1 3.69Å; H90-H318 AromaticContact NE2-NE2 3.7Å; E92-H318 WeakPolarHBondContact CB-O 3.4Å; E92-H318 VanDerWaalsContact CD-C 3.41Å; E92-H318 WeakPolarHBondContact CG-O 3.06Å; I315-H318 PolarHBondContact O-N 3.16Å; H316-H318 VanDerWaalsContact C-N 3.27Å; H316-H318 PolarHBondContact O-CD2 3.22Å
319Y98.2Very high97.8Very high1 Ų145.2 Ų45.20%0.00423%0.231CC..  trans-134.747.8-171.6-160.5-93.9000112F74 I75 E91 E92 V97 F280 I313 L317 I325 V329F74-Y319 AromaticContact CD1-CD1 3.93Å; F74-Y319 HydrophobicContact CD1-CD1 3.93Å; F74-Y319 AromaticContact CD1-CD2 3.98Å; F74-Y319 HydrophobicContact CD1-CD2 3.98Å; F74-Y319 AromaticContact CD1-CG 3.59Å; F74-Y319 HydrophobicContact CD1-CG 3.59Å; F74-Y319 AromaticContact CE1-CD1 3.76Å; F74-Y319 HydrophobicContact CE1-CD1 3.76Å; F74-Y319 HydrophobicContact CE1-CE1 4.26Å; F74-Y319 AromaticContact CE1-CG 3.94Å; F74-Y319 HydrophobicContact CE1-CG 3.94Å; F74-Y319 WeakPolarHBondContact O-CD2 3.41Å; I75-Y319 HydrophobicContact CG2-CE2 4.09Å; E91-Y319 HydrophobicContact CB-CD2 4.23Å; E91-Y319 HydrophobicContact CB-CE2 4.37Å; E91-Y319 WeakPolarHBondContact OE2-CE2 3.48Å; E92-Y319 PolarHBondContact OE2-N 3.03Å; V97-Y319 HydrophobicContact CB-CE2 3.83Å; V97-Y319 HydrophobicContact CG1-CE2 4.46Å; V97-Y319 WeakPolarHBondContact O-CE2 3.43Å; V97-Y319 PolarHBondContact O-OH 2.98Å; F280-Y319 AromaticContact CE2-CE1 3.83Å; F280-Y319 HydrophobicContact CE2-CE1 3.83Å; F280-Y319 AromaticContact CZ-CE1 3.5Å; F280-Y319 HydrophobicContact CZ-CE1 3.5Å; F280-Y319 VanDerWaalsContact CZ-CE1 3.5Å; F280-Y319 AromaticContact CZ-CZ 3.67Å; F280-Y319 WeakPolarHBondContact CZ-OH 3.33Å; I313-Y319 HydrophobicContact CD1-CD1 4.2Å; I313-Y319 WeakPolarHBondContact CD1-O 3.25Å; L317-Y319 PolarHBondContact O-N 2.92Å; L317-Y319 VanDerWaalsContact O-N 3.12Å; Y319-I325 HydrophobicContact CD1-CD1 3.7Å; Y319-I325 HydrophobicContact CD1-CG1 4.19Å; Y319-I325 HydrophobicContact CD1-CG2 4.04Å; Y319-I325 HydrophobicContact CD2-CD1 4.02Å; Y319-I325 HydrophobicContact CE1-CB 4.3Å; Y319-I325 HydrophobicContact CE1-CD1 3.76Å; Y319-I325 HydrophobicContact CE1-CG1 3.72Å; Y319-I325 HydrophobicContact CE1-CG2 3.63Å; Y319-I325 HydrophobicContact CE2-CD1 4.16Å; Y319-I325 HydrophobicContact CE2-CG1 4.35Å; Y319-I325 HydrophobicContact CG-CD1 3.81Å; Y319-V329 HydrophobicContact CE1-CG2 4.24Å
320S97.3Very high97.8Very high18 Ų1843.6 Ų43.613%0.12622%0.223CC..SBendtrans-129.2-26.1175.460.90000112.7E92 K310 S322E92-S320 PolarHBondContact OE2-N 2.95Å; K310-S320 WeakPolarHBondContact CE-O 3.39Å; K310-S320 WeakPolarHBondContact O-CB 3.31Å; S320-S322 PolarHBondContact O-N 3.46Å
321N95.9Very high97.8Very high113 Ų11342 Ų4260%0.60422%0.216SC*.SBendtrans-95.143.5-168.5-57.9-39.6000114.1E92E92-N321 HydrophobicContact CB-CB 4.36Å; E92-N321 HydrophobicContact CG-CB 4.24Å; E92-N321 PolarHBondContact OE1-ND2 3.34Å; E92-N321 WeakPolarHBondContact OE2-CB 3.19Å; E92-N321 PolarHBondContact OE2-N 2.97Å
322S96.5Very high97.8Very high11 Ų1135.2 Ų35.28%0.07718%0.179CC..  trans-137.4133.6173.9171.80000111.9K310 S320 R324 I325K310-S322 WeakPolarHBondContact CE-O 3.49Å; K310-S322 PolarHBondContact NZ-O 3.05Å; S320-S322 PolarHBondContact O-N 3.46Å; S322-R324 PolarHBondContact O-N 3.21Å; S322-R324 VanDerWaalsContact O-N 3.07Å; S322-R324 PolarHBondContact OG-N 3.13Å; S322-I325 PolarHBondContact O-N 3.36Å; S322-I325 VanDerWaalsContact O-N 3.14Å
323R96.9Very high97.8Very high104 Ų10432.4 Ų32.439%0.39216%0.163SC..THydrogen-bonded Turntrans-63.2-12.8175.274.8175.2-176.4-78.1-5.8113.6D103 P104 W284 I325D103-R323 IonicContact OD1-CZ 3.54Å; D103-R323 IonicContact OD1-NE 2.68Å; D103-R323 PolarHBondContact OD1-NE 3.46Å; D103-R323 IonicContact OD1-NH2 3.01Å; D103-R323 IonicContact OD2-CZ 3.99Å; D103-R323 IonicContact OD2-NE 2.76Å; D103-R323 PolarHBondContact OD2-NE 2.76Å; D103-R323 IonicContact OD2-NH2 3.34Å; D103-R323 PolarHBondContact OD2-NH2 3.19Å; P104-R323 WeakPolarHBondContact CD-O 3.17Å; P104-R323 WeakPolarHBondContact CG-O 3.47Å; W284-R323 WeakPolarHBondContact CH2-O 3.22Å; R323-I325 VanDerWaalsContact C-N 3.33Å
324R97.8Very high97.8Very high2 Ų233.1 Ų33.11%0.00817%0.168CC..THydrogen-bonded Turntrans-86.7-9-179.8-67.5167.1170.5179.6-1.3112.6G95 V97 F101 D103 K122 W123 S322G95-R324 WeakPolarHBondContact O-CD 3.49Å; G95-R324 PolarHBondContact O-NH1 3.39Å; V97-R324 HydrophobicContact CG1-CB 4.4Å; V97-R324 HydrophobicContact CG2-CB 3.71Å; F101-R324 HydrophobicContact CD2-CB 3.83Å; F101-R324 HydrophobicContact CD2-CG 3.98Å; F101-R324 HydrophobicContact CE2-CB 4.11Å; F101-R324 HydrophobicContact CE2-CG 3.82Å; D103-R324 HydrophobicContact CB-CG 4.08Å; D103-R324 IonicContact OD2-CZ 3.77Å; D103-R324 IonicContact OD2-NE 3.29Å; D103-R324 PolarHBondContact OD2-NE 3.37Å; D103-R324 IonicContact OD2-NH2 3.78Å; D103-R324 PolarHBondContact OD2-NH2 3.45Å; K122-R324 PolarHBondContact O-NH2 3.27Å; W123-R324 PolarHBondContact O-NH1 3.14Å; W123-R324 PolarHBondContact O-NH2 3.4Å; S322-R324 PolarHBondContact O-N 3.21Å; S322-R324 VanDerWaalsContact O-N 3.07Å; S322-R324 PolarHBondContact OG-N 3.13Å
325I98.3Very high97.7Very high1 Ų131.9 Ų31.91%0.00516%0.162CC..SBendtrans-89.3125.4173.3-57.8168.4000108.1V97 K310 Y319 S322 R323 V329V97-I325 HydrophobicContact CB-CG1 4.04Å; V97-I325 HydrophobicContact CG1-CD1 4.27Å; V97-I325 HydrophobicContact CG1-CG1 3.92Å; V97-I325 HydrophobicContact CG2-CG1 4.2Å; K310-I325 HydrophobicContact CD-CB 4.41Å; K310-I325 HydrophobicContact CD-CG2 4.27Å; K310-I325 HydrophobicContact CG-CG2 4.17Å; K310-I325 PolarHBondContact NZ-O 3.14Å; K310-I325 VanDerWaalsContact NZ-O 3.08Å; Y319-I325 HydrophobicContact CD1-CD1 3.7Å; Y319-I325 HydrophobicContact CD1-CG1 4.19Å; Y319-I325 HydrophobicContact CD1-CG2 4.04Å; Y319-I325 HydrophobicContact CD2-CD1 4.02Å; Y319-I325 HydrophobicContact CE1-CB 4.3Å; Y319-I325 HydrophobicContact CE1-CD1 3.76Å; Y319-I325 HydrophobicContact CE1-CG1 3.72Å; Y319-I325 HydrophobicContact CE1-CG2 3.63Å; Y319-I325 HydrophobicContact CE2-CD1 4.16Å; Y319-I325 HydrophobicContact CE2-CG1 4.35Å; Y319-I325 HydrophobicContact CG-CD1 3.81Å; S322-I325 PolarHBondContact O-N 3.36Å; S322-I325 VanDerWaalsContact O-N 3.14Å; R323-I325 VanDerWaalsContact C-N 3.33Å; I325-V329 HydrophobicContact CG2-CG2 3.83Å
326G98.2Very high97.8Very high0 Ų028.3 Ų28.30%014%0.14CC..  trans-67.3158-179.800000112.6S282 V328S282-G326 VanDerWaalsContact OG-CA 3.24Å; S282-G326 WeakPolarHBondContact OG-CA 3.33Å; S282-G326 PolarHBondContact OG-N 3.24Å; G326-V328 PolarHBondContact O-N 2.82Å
327P98.4Very high97.9Very high40 Ų4023.8 Ų23.826%0.2612%0.119SC..SBendtrans-60.6-24.7-177.5-28.136.3000115.7L283 K310L283-P327 VanDerWaalsContact O-CD 3.31Å; L283-P327 WeakPolarHBondContact O-CD 3.49Å; K310-P327 PolarHBondContact N-O 3.08Å
328V98.8Very high97.9Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-126.3125.7175.7-173.70000109L283 S291 L294 V307 F308 L309 G326 V330L283-V328 HydrophobicContact CB-CB 4.23Å; L283-V328 HydrophobicContact CD1-CB 4.49Å; L283-V328 HydrophobicContact CD1-CG1 4.33Å; L283-V328 PolarHBondContact N-O 3.48Å; L283-V328 PolarHBondContact O-N 2.93Å; S291-V328 VanDerWaalsContact O-CG2 3.32Å; S291-V328 WeakPolarHBondContact O-CG2 3.44Å; L294-V328 HydrophobicContact CB-CG2 4.07Å; V307-V328 HydrophobicContact CG1-CG1 4.04Å; F308-V328 WeakPolarHBondContact O-CA 3.45Å; L309-V328 HydrophobicContact CD2-CG2 4.19Å; G326-V328 PolarHBondContact O-N 2.82Å; V328-V330 HydrophobicContact CG1-CG2 4.26Å
329V98.7Very high97.9Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-108.3133.4175.7162.50000108.8F280 V307 F308 I313 Y319 I325 Y331F280-V329 HydrophobicContact CD2-CG1 4.09Å; F280-V329 HydrophobicContact CE2-CB 4.35Å; F280-V329 HydrophobicContact CE2-CG1 3.33Å; F280-V329 HydrophobicContact CE2-CG2 4.2Å; F280-V329 HydrophobicContact CZ-CG1 4.04Å; F280-V329 HydrophobicContact CZ-CG2 4.08Å; V307-V329 WeakPolarHBondContact CA-O 3.23Å; F308-V329 PolarHBondContact N-O 3.12Å; F308-V329 PolarHBondContact O-N 3.44Å; I313-V329 HydrophobicContact CD1-CB 3.9Å; I313-V329 HydrophobicContact CD1-CG1 4.35Å; I313-V329 HydrophobicContact CD1-CG2 3.68Å; I313-V329 HydrophobicContact CG1-CB 4.5Å; Y319-V329 HydrophobicContact CE1-CG2 4.24Å; I325-V329 HydrophobicContact CG2-CG2 3.83Å; V329-Y331 HydrophobicContact CG1-CD1 4.14Å
330V98.7Very high97.9Very high0 Ų023.2 Ų23.20%011%0.114CC..EExtended strand (participates in β ladder)trans-129.8133177.3-170.20000108.8F280 W281 L283 L298 M305 N306 V307 V328 I338F280-V330 CarbonylContact C-O 3.55Å; F280-V330 WeakPolarHBondContact CA-O 3.17Å; W281-V330 HydrophobicContact CB-CB 4.25Å; W281-V330 PolarHBondContact N-O 3.5Å; W281-V330 PolarHBondContact O-N 3.15Å; L283-V330 HydrophobicContact CD1-CG2 3.72Å; L283-V330 HydrophobicContact CG-CG2 4.25Å; L298-V330 HydrophobicContact CD1-CG2 3.82Å; M305-V330 HydrophobicContact CG-CG1 3.47Å; M305-V330 VanDerWaalsContact CG-CG1 3.47Å; M305-V330 HydrophobicContact SD-CG1 3.75Å; N306-V330 CarbonylContact O-C 3.51Å; N306-V330 VanDerWaalsContact O-CA 3.25Å; N306-V330 WeakPolarHBondContact O-CA 3.44Å; V307-V330 HydrophobicContact CG1-CG2 4.37Å; V307-V330 HydrophobicContact CG2-CG1 4.18Å; V328-V330 HydrophobicContact CG1-CG2 4.26Å; V330-I338 HydrophobicContact CG1-CD1 3.66Å
331Y98.5Very high97.8Very high7 Ų723.4 Ų23.43%0.02712%0.116CC..EExtended strand (participates in β ladder)trans-144.8153.8169.561.1-84.7000112F74 I279 N306 F308 V329 D357F74-Y331 HydrophobicContact CE2-CD1 4.19Å; F74-Y331 HydrophobicContact CE2-CD2 4.41Å; F74-Y331 HydrophobicContact CE2-CE1 4.25Å; F74-Y331 HydrophobicContact CE2-CE2 4.46Å; F74-Y331 HydrophobicContact CE2-CG 4.26Å; F74-Y331 AromaticContact CZ-CD1 3.68Å; F74-Y331 HydrophobicContact CZ-CD1 3.68Å; F74-Y331 AromaticContact CZ-CE1 3.81Å; F74-Y331 HydrophobicContact CZ-CE1 3.81Å; F74-Y331 HydrophobicContact CZ-CG 4.14Å; I279-Y331 CarbonylContact O-C 3.56Å; I279-Y331 WeakPolarHBondContact O-CA 3.5Å; N306-Y331 HydrophobicContact CB-CD1 4.09Å; N306-Y331 HydrophobicContact CB-CD2 4.07Å; N306-Y331 HydrophobicContact CB-CE1 3.78Å; N306-Y331 HydrophobicContact CB-CE2 3.77Å; N306-Y331 HydrophobicContact CB-CG 4.24Å; N306-Y331 PolarHBondContact N-O 3.38Å; N306-Y331 VanDerWaalsContact ND2-CE2 3.3Å; N306-Y331 WeakPolarHBondContact ND2-CE2 3.4Å; N306-Y331 PolarHBondContact O-N 3.29Å; F308-Y331 AromaticContact CD2-CE1 3.88Å; F308-Y331 HydrophobicContact CD2-CE1 3.88Å; F308-Y331 AromaticContact CE2-CE1 3.71Å; F308-Y331 HydrophobicContact CE2-CE1 3.71Å; F308-Y331 AromaticContact CE2-CZ 3.95Å; V329-Y331 HydrophobicContact CG1-CD1 4.14Å; Y331-D357 HydrophobicContact CE2-CB 4.07Å; Y331-D357 PolarHBondContact OH-OD2 3.12Å
332S98.4Very high97.8Very high1 Ų124 Ų241%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-88.5164.5175.746.70000112.8I279 K304 W336 Y356I279-S332 PolarHBondContact O-N 2.91Å; I279-S332 VanDerWaalsContact O-N 3.08Å; K304-S332 VanDerWaalsContact O-CA 3.26Å; K304-S332 WeakPolarHBondContact O-CA 3.36Å; S332-W336 WeakPolarHBondContact CB-O 3.38Å; S332-W336 PolarHBondContact OG-O 3.35Å; S332-Y356 VanDerWaalsContact O-CD1 3.31Å; S332-Y356 WeakPolarHBondContact O-CD1 3.35Å
333E98.1Very high97.7Very high46 Ų4631.8 Ų31.822%0.21515%0.147CC..PPolyproline II helixtrans-77.4153.9165.6-66.8-70.8130.700111.2K304 N306 G335 W336 Y356 H360K304-E333 HydrophobicContact CB-CB 4.21Å; K304-E333 HydrophobicContact CB-CG 4.23Å; K304-E333 HydrophobicContact CD-CB 3.89Å; K304-E333 HydrophobicContact CD-CG 3.81Å; K304-E333 PolarHBondContact O-N 3.28Å; K304-E333 VanDerWaalsContact O-N 3.11Å; N306-E333 PolarHBondContact ND2-OE1 3.31Å; E333-G335 PolarHBondContact O-N 2.74Å; E333-W336 WeakPolarHBondContact O-CB 3.3Å; E333-W336 PolarHBondContact O-N 3.34Å; E333-Y356 VanDerWaalsContact C-CE1 3.49Å; E333-Y356 VanDerWaalsContact O-CE1 3.26Å; E333-Y356 WeakPolarHBondContact O-CE1 3.36Å; E333-H360 IonicContact OE2-CE1 3.01Å; E333-H360 IonicContact OE2-NE2 4Å
334P97.8Very high97.7Very high26 Ų2627 Ų2717%0.16913%0.13CC..THydrogen-bonded Turntrans-47.3140173.7-29.535.7000113.3W336 Y356 H360P334-W336 VanDerWaalsContact C-N 3.29Å; P334-W336 PolarHBondContact O-N 3.26Å; P334-Y356 VanDerWaalsContact CA-CE1 3.47Å; P334-Y356 HydrophobicContact CB-CD1 4.49Å; P334-Y356 HydrophobicContact CG-CD1 4.14Å; P334-Y356 HydrophobicContact CG-CG 4.2Å; P334-H360 WeakPolarHBondContact CD-NE2 3.32Å; P334-H360 HydrophobicContact CG-CB 4Å; P334-H360 VanDerWaalsContact CG-CD2 3.45Å; P334-H360 WeakPolarHBondContact CG-CD2 3.06Å; P334-H360 VanDerWaalsContact CG-CG 3.45Å
335G96.7Very high97.5Very high10 Ų1028.4 Ų28.410%0.10314%0.139CC..THydrogen-bonded Turntrans87.1-11.2-174.500000114.8S251 G252 R257 E333S251-G335 PolarHBondContact OG-N 3.25Å; G252-G335 VanDerWaalsContact O-CA 3.29Å; G252-G335 WeakPolarHBondContact O-CA 3.33Å; R257-G335 WeakPolarHBondContact CB-O 3.35Å; R257-G335 WeakPolarHBondContact CD-O 3.16Å; R257-G335 PolarHBondContact NE-O 2.86Å; E333-G335 PolarHBondContact O-N 2.74Å
336W98.1Very high97.3Very high54 Ų5432.8 Ų32.821%0.20518%0.175CC..  trans-116.5142.9179.6-69.578.2000112.2R257 I259 I279 H302 K304 S332 E333 P334 Y356R257-W336 HydrophobicContact CB-CD2 3.76Å; R257-W336 HydrophobicContact CB-CE3 3.92Å; R257-W336 HydrophobicContact CB-CG 4.15Å; R257-W336 HydrophobicContact CB-CZ2 4.36Å; R257-W336 HydrophobicContact CB-CZ3 4.31Å; R257-W336 HydrophobicContact CG-CD2 4.34Å; R257-W336 HydrophobicContact CG-CZ2 4.13Å; R257-W336 VanDerWaalsContact O-CA 3.3Å; R257-W336 WeakPolarHBondContact O-CA 3.1Å; I259-W336 HydrophobicContact CD1-CB 4.4Å; I259-W336 HydrophobicContact CD1-CE3 4.17Å; I259-W336 HydrophobicContact CG1-CE3 3.86Å; I259-W336 HydrophobicContact CG1-CZ3 4.29Å; I279-W336 WeakPolarHBondContact CD1-O 3.24Å; H302-W336 AromaticContact CE1-CE3 3.68Å; H302-W336 AromaticContact CE1-CH2 3.58Å; H302-W336 AromaticContact CE1-CZ3 3.36Å; H302-W336 WeakPolarHBondContact CE1-CZ3 3.4Å; H302-W336 AromaticContact NE2-CH2 3.71Å; H302-W336 AromaticContact NE2-CZ3 3.53Å; K304-W336 HydrophobicContact CB-CB 4.46Å; K304-W336 HydrophobicContact CB-CD2 3.93Å; K304-W336 HydrophobicContact CB-CG 3.82Å; K304-W336 HydrophobicContact CG-CD2 4.14Å; K304-W336 HydrophobicContact CG-CG 4.23Å; K304-W336 HydrophobicContact CG-CZ2 4.16Å; S332-W336 WeakPolarHBondContact CB-O 3.38Å; S332-W336 PolarHBondContact OG-O 3.35Å; E333-W336 WeakPolarHBondContact O-CB 3.3Å; E333-W336 PolarHBondContact O-N 3.34Å; P334-W336 VanDerWaalsContact C-N 3.29Å; P334-W336 PolarHBondContact O-N 3.26Å; W336-Y356 WeakPolarHBondContact O-CE1 3.49Å; W336-Y356 PolarHBondContact O-OH 3.03Å
337T98.3Very high97.1Very high0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-120.1140.1173.8-56.40000110.5V253 R257 I258 I259 D277 I279 V339 F348V253-T337 WeakPolarHBondContact CG1-OG1 3.43Å; R257-T337 PolarHBondContact O-N 3.04Å; R257-T337 VanDerWaalsContact O-N 3.11Å; I258-T337 WeakPolarHBondContact CA-O 3.33Å; I259-T337 PolarHBondContact N-O 2.96Å; D277-T337 HydrophobicContact CB-CG2 4.35Å; I279-T337 HydrophobicContact CD1-CG2 4.18Å; T337-V339 HydrophobicContact CG2-CG1 4.21Å; T337-F348 HydrophobicContact CG2-CE2 3.79Å; T337-F348 HydrophobicContact CG2-CZ 4.23Å
338I98.4Very high96.9Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-94.3116.4171.4-56.5170000108.3I259 L261 R278 W281 M305 V330I259-I338 HydrophobicContact CB-CG1 4.17Å; I259-I338 HydrophobicContact CD1-CG1 4.1Å; I259-I338 HydrophobicContact CG2-CG1 4.5Å; I259-I338 CarbonylContact O-C 3.54Å; I259-I338 WeakPolarHBondContact O-CA 3.39Å; L261-I338 HydrophobicContact CB-CG2 3.97Å; L261-I338 HydrophobicContact CD1-CG2 4.48Å; R278-I338 PolarHBondContact N-O 3.15Å; R278-I338 CarbonylContact O-C 3.4Å; R278-I338 WeakPolarHBondContact O-CA 3.2Å; R278-I338 WeakPolarHBondContact O-CB 3.22Å; R278-I338 PolarHBondContact O-N 3.45Å; W281-I338 HydrophobicContact CZ2-CG2 4.47Å; W281-I338 PolarHBondContact NE1-O 3.38Å; M305-I338 HydrophobicContact CG-CD1 4.18Å; V330-I338 HydrophobicContact CG1-CD1 3.66Å
339V97.9Very high96.7Very high0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-105.6152.1174.2-540000110.4I258 I259 I260 L261 E276 D277 T337 V345 F348I258-V339 HydrophobicContact CD1-CG1 4.37Å; I258-V339 HydrophobicContact CG2-CB 4.14Å; I258-V339 HydrophobicContact CG2-CG1 3.8Å; I258-V339 HydrophobicContact CG2-CG2 3.32Å; I259-V339 PolarHBondContact O-N 3.06Å; I260-V339 WeakPolarHBondContact CA-O 3.42Å; I260-V339 HydrophobicContact CB-CG2 4.5Å; I260-V339 HydrophobicContact CG1-CG2 3.92Å; L261-V339 WeakPolarHBondContact CB-O 3.46Å; L261-V339 PolarHBondContact N-O 3.39Å; E276-V339 CarbonylContact O-C 3.44Å; E276-V339 VanDerWaalsContact O-CA 3.27Å; E276-V339 WeakPolarHBondContact O-CA 3.32Å; D277-V339 HydrophobicContact CB-CG1 4Å; T337-V339 HydrophobicContact CG2-CG1 4.21Å; V339-V345 HydrophobicContact CG2-CG2 3.64Å; V339-F348 HydrophobicContact CG1-CD2 4.49Å
340R97.5Very high96.6Very high54 Ų5445.7 Ų45.720%0.20424%0.237CC..SBendtrans-61.1-54.4-175.6-164.7176-66-176.44.6111.3H262 G274 E276 W281H262-R340 WeakPolarHBondContact CB-O 3.34Å; H262-R340 PolarHBondContact CD2-O 2.83Å; H262-R340 PolarHBondContact N-O 3.23Å; G274-R340 PolarHBondContact O-NH2 2.82Å; E276-R340 HydrophobicContact CB-CB 4.18Å; E276-R340 PolarHBondContact O-N 2.88Å; W281-R340 HydrophobicContact CH2-CB 3.8Å; W281-R340 HydrophobicContact CH2-CG 4.12Å
341S96.8Very high96.6Very high22 Ų2252.7 Ų52.715%0.15426%0.263CS..SBendtrans-146.8167.1-16974.20000111.9K343 S344 V345S341-K343 PolarHBondContact O-N 3Å; S341-K343 PolarHBondContact OG-N 3.09Å; S341-S344 WeakPolarHBondContact O-CA 3.41Å; S341-S344 VanDerWaalsContact O-CB 3.29Å; S341-S344 WeakPolarHBondContact O-CB 3.13Å; S341-S344 PolarHBondContact O-N 3.5Å; S341-S344 PolarHBondContact OG-N 2.98Å; S341-S344 PolarHBondContact OG-OG 3.16Å; S341-V345 PolarHBondContact O-N 3.32Å
342Q95.2Very high96.5Very high126 Ų12652.3 Ų52.359%0.58926%0.262SS*.Hα-helixtrans-56.4-32.4172.5-171.762.74700112.9S344 V345Q342-S344 VanDerWaalsContact C-N 3.28Å; Q342-S344 PolarHBondContact O-N 3.38Å; Q342-V345 WeakPolarHBondContact O-CB 3.42Å; Q342-V345 PolarHBondContact O-N 3.42Å
343K95.2Very high96.5Very high174 Ų17452.6 Ų52.676%0.75726%0.263SS*.Hα-helixtrans-66.4-32.7175.3-68.1178.5-179.1176.40111.8S341S341-K343 PolarHBondContact O-N 3Å; S341-K343 PolarHBondContact OG-N 3.09Å
344S95.6Very high96.5Very high4 Ų450.7 Ų50.73%0.02825%0.254CS..Hα-helixtrans-73.9-31179.2-47.70000111.7E276 S341 Q342 A346 K347 F348E276-S344 WeakPolarHBondContact OE2-CB 3.47Å; E276-S344 PolarHBondContact OE2-OG 2.98Å; S341-S344 WeakPolarHBondContact O-CA 3.41Å; S341-S344 VanDerWaalsContact O-CB 3.29Å; S341-S344 WeakPolarHBondContact O-CB 3.13Å; S341-S344 PolarHBondContact O-N 3.5Å; S341-S344 PolarHBondContact OG-N 2.98Å; S341-S344 PolarHBondContact OG-OG 3.16Å; Q342-S344 VanDerWaalsContact C-N 3.28Å; Q342-S344 PolarHBondContact O-N 3.38Å; S344-A346 VanDerWaalsContact C-N 3.26Å; S344-A346 PolarHBondContact O-N 2.86Å; S344-K347 PolarHBondContact O-N 3.33Å; S344-K347 VanDerWaalsContact O-N 3.07Å; S344-F348 PolarHBondContact O-N 2.96Å
345V95.1Very high96.5Very high31 Ų3149.4 Ų49.419%0.18825%0.246CC..Hα-helixtrans-53.8-44.2172.3-179.10000111.1I258 I260 V339 S341 Q342 K347 F348I258-V345 HydrophobicContact CD1-CG1 4.01Å; I258-V345 HydrophobicContact CG2-CG2 4.2Å; I260-V345 HydrophobicContact CD1-CG2 3.92Å; I260-V345 HydrophobicContact CG1-CG2 3.88Å; V339-V345 HydrophobicContact CG2-CG2 3.64Å; S341-V345 PolarHBondContact O-N 3.32Å; Q342-V345 WeakPolarHBondContact O-CB 3.42Å; Q342-V345 PolarHBondContact O-N 3.42Å; V345-K347 PolarHBondContact O-N 3.44Å; V345-F348 WeakPolarHBondContact O-CB 3.37Å; V345-F348 PolarHBondContact O-N 3.26Å; V345-F348 VanDerWaalsContact O-N 3.13Å
346A92.6Very high96.6Very high94 Ų9449 Ų4978%0.77724%0.241SC*.THydrogen-bonded Turntrans-67-19-178.100000113.8S344S344-A346 VanDerWaalsContact C-N 3.26Å; S344-A346 PolarHBondContact O-N 2.86Å
347K93.7Very high96.6Very high140 Ų14047.3 Ų47.361%0.60924%0.237SC*.THydrogen-bonded Turntrans-98-4.9177.4-59.8178-174.2170.30112.8E276 S344 V345 T349E276-K347 IonicContact OE2-NZ 3.81Å; S344-K347 PolarHBondContact O-N 3.33Å; S344-K347 VanDerWaalsContact O-N 3.07Å; V345-K347 PolarHBondContact O-N 3.44Å; K347-T349 PolarHBondContact O-N 3.14Å
348F94.7Very high96.6Very high10 Ų1047.8 Ų47.84%0.04424%0.24CC..  trans-73.8114.8-176-177.5-105.9000110.7V253 T255 I258 D277 T337 V339 S344 V345 K350V253-F348 HydrophobicContact CB-CZ 4.03Å; V253-F348 HydrophobicContact CG2-CE1 4.36Å; V253-F348 HydrophobicContact CG2-CZ 3.68Å; T255-F348 HydrophobicContact CG2-CD1 3.77Å; T255-F348 HydrophobicContact CG2-CE1 4.4Å; I258-F348 HydrophobicContact CD1-CB 4.36Å; I258-F348 HydrophobicContact CD1-CD1 3.8Å; I258-F348 HydrophobicContact CD1-CE1 4.33Å; I258-F348 HydrophobicContact CD1-CG 4.14Å; D277-F348 HydrophobicContact CB-CD2 3.73Å; D277-F348 HydrophobicContact CB-CE2 4.15Å; T337-F348 HydrophobicContact CG2-CE2 3.79Å; T337-F348 HydrophobicContact CG2-CZ 4.23Å; V339-F348 HydrophobicContact CG1-CD2 4.49Å; S344-F348 PolarHBondContact O-N 2.96Å; V345-F348 WeakPolarHBondContact O-CB 3.37Å; V345-F348 PolarHBondContact O-N 3.26Å; V345-F348 VanDerWaalsContact O-N 3.13Å; F348-K350 HydrophobicContact CE2-CB 3.95Å; F348-K350 HydrophobicContact CE2-CD 4.42Å; F348-K350 HydrophobicContact CZ-CB 4.05Å
349T94.8Very high96.5Very high115 Ų11552.4 Ų52.471%0.70627%0.265SS*.  trans-119.1-16.8-175.6530000114K347K347-T349 PolarHBondContact O-N 3.14Å
350K96.7Very high96.6Very high45 Ų4554.8 Ų54.820%0.19628%0.276CS..  trans-59.8146.8-177.3-69.6177.5-179.8160.70111.8H203 V253 D277 F348 D353H203-K350 WeakPolarHBondContact O-CA 3.37Å; V253-K350 HydrophobicContact CG2-CB 4.04Å; D277-K350 WeakPolarHBondContact OD2-CD 3.46Å; D277-K350 VanDerWaalsContact OD2-CE 3.26Å; D277-K350 WeakPolarHBondContact OD2-CE 3.41Å; D277-K350 IonicContact OD2-NZ 2.72Å; D277-K350 PolarHBondContact OD2-NZ 3.11Å; F348-K350 HydrophobicContact CE2-CB 3.95Å; F348-K350 HydrophobicContact CE2-CD 4.42Å; F348-K350 HydrophobicContact CZ-CB 4.05Å; K350-D353 WeakPolarHBondContact CD-OD2 3.43Å; K350-D353 IonicContact NZ-OD1 3.85Å; K350-D353 IonicContact NZ-OD2 2.63Å; K350-D353 PolarHBondContact NZ-OD2 3.11Å
351R97.6Very high96.6Very high147 Ų14756.1 Ų56.156%0.55529%0.286SS*.SBendtrans-119.1-16.3175-60.4-57.3-175.8117.43.6112.8H203 L204 T205 G206 G252 V253H203-R351 PolarHBondContact O-N 3.01Å; L204-R351 VanDerWaalsContact O-CG 3.32Å; L204-R351 WeakPolarHBondContact O-CG 3.39Å; T205-R351 VanDerWaalsContact C-CB 3.44Å; G206-R351 WeakPolarHBondContact CA-O 3.43Å; G252-R351 CarbonylContact C-O 3.53Å; G252-R351 WeakPolarHBondContact CA-O 3.41Å; V253-R351 VanDerWaalsContact CG2-C 3.48Å; V253-R351 PolarHBondContact N-O 3.16Å
352G98.2Very high96.6Very high0 Ų058.6 Ų58.60%030%0.296CS..EExtended strand (participates in β ladder)trans-129.5149.6164.700000110.7G202 H203 M250 S251G202-G352 VanDerWaalsContact O-CA 3.31Å; G202-G352 WeakPolarHBondContact O-CA 2.87Å; G202-G352 PolarHBondContact O-N 3.03Å; G202-G352 VanDerWaalsContact O-N 3.16Å; H203-G352 WeakPolarHBondContact CA-O 3.34Å; H203-G352 PolarHBondContact ND1-O 2.67Å; H203-G352 PolarHBondContact O-N 3.08Å; M250-G352 VanDerWaalsContact SD-C 3.51Å; S251-G352 CarbonylContact O-C 3.54Å; S251-G352 VanDerWaalsContact O-CA 3.26Å; S251-G352 WeakPolarHBondContact O-CA 3.38Å
353D98Very high96.8Very high6 Ų652.6 Ų52.63%0.03227%0.268CS..EExtended strand (participates in β ladder)trans-150.4172.4167.6-145.5-25.7000110.3H203 M250 S251 V253 I279 K350 Y356H203-D353 IonicContact CE1-OD1 2.91Å; H203-D353 PolarHBondContact CE1-OD1 2.95Å; M250-D353 VanDerWaalsContact SD-CA 3.59Å; M250-D353 PolarHBondContact SD-N 3.26Å; S251-D353 PolarHBondContact N-O 2.88Å; S251-D353 PolarHBondContact O-N 3.42Å; V253-D353 HydrophobicContact CG1-CB 3.81Å; V253-D353 HydrophobicContact CG2-CB 4.34Å; I279-D353 HydrophobicContact CD1-CB 3.99Å; I279-D353 HydrophobicContact CG1-CB 3.95Å; K350-D353 WeakPolarHBondContact CD-OD2 3.43Å; K350-D353 IonicContact NZ-OD1 3.85Å; K350-D353 IonicContact NZ-OD2 2.63Å; K350-D353 PolarHBondContact NZ-OD2 3.11Å; D353-Y356 WeakPolarHBondContact O-CE2 3.45Å
354H98.4Very high96.9Very high6 Ų644.3 Ų44.33%0.02823%0.232CC..  trans-148.4175.4-177.159.794.2000110.6T76 D199 H203 H248 I279 M363T76-H354 PolarHBondContact O-ND1 3.35Å; T76-H354 VanDerWaalsContact O-ND1 3.07Å; D199-H354 IonicContact OD1-CD2 3.77Å; D199-H354 IonicContact OD1-NE2 3.64Å; D199-H354 PolarHBondContact OD1-NE2 3.33Å; H203-H354 AromaticContact CE1-CD2 3.4Å; H203-H354 PolarHBondContact CE1-CD2 3.47Å; H203-H354 VanDerWaalsContact CE1-CD2 3.4Å; H203-H354 AromaticContact CE1-NE2 3.44Å; H203-H354 PolarHBondContact CE1-NE2 2.75Å; H203-H354 AromaticContact NE2-CD2 3.61Å; H203-H354 AromaticContact NE2-NE2 3.22Å; H203-H354 PolarHBondContact NE2-NE2 3.11Å; H248-H354 AromaticContact CD2-CE1 3.94Å; H248-H354 AromaticContact CD2-ND1 3.59Å; H248-H354 AromaticContact CE1-CD2 3.54Å; H248-H354 AromaticContact CE1-CE1 3.23Å; H248-H354 PolarHBondContact CE1-CE1 2.92Å; H248-H354 AromaticContact CE1-CG 3.34Å; H248-H354 AromaticContact CE1-ND1 3.16Å; H248-H354 PolarHBondContact CE1-ND1 3.49Å; H248-H354 AromaticContact CE1-NE2 3.53Å; H248-H354 AromaticContact CG-ND1 3.84Å; H248-H354 AromaticContact ND1-CG 3.55Å; H248-H354 AromaticContact ND1-ND1 3.57Å; H248-H354 AromaticContact NE2-CE1 3.02Å; H248-H354 PolarHBondContact NE2-CE1 2.84Å; H248-H354 AromaticContact NE2-CG 3.79Å; H248-H354 AromaticContact NE2-ND1 3.09Å; H248-H354 PolarHBondContact NE2-ND1 2.9Å; H248-H354 AromaticContact NE2-NE2 3.75Å; I279-H354 VanDerWaalsContact CG1-O 3.31Å; I279-H354 WeakPolarHBondContact CG1-O 3.02Å; H354-M363 HydrophobicContact CB-CE 4.34Å; H354-M363 HydrophobicContact CB-SD 4.03Å
355G98Very high97.1Very high0 Ų044.2 Ų44.20%023%0.231CC..  trans103.419.7-17200000113.6T76T76-G355 WeakPolarHBondContact O-CA 3.24Å; T76-G355 PolarHBondContact O-N 2.83Å; T76-G355 VanDerWaalsContact O-N 3.12Å; T76-G355 WeakPolarHBondContact OG1-CA 3.36Å; T76-G355 PolarHBondContact OG1-N 3.28Å
356Y98.4Very high97.2Very high0 Ų043 Ų430%022%0.223CC..  trans-80.2-177.9175.9-58-87.9000110.8T76 V253 I279 S332 E333 P334 W336 D353 M363T76-Y356 WeakPolarHBondContact CG2-O 3.4Å; T76-Y356 PolarHBondContact OG1-N 3.49Å; T76-Y356 PolarHBondContact OG1-O 3.46Å; V253-Y356 WeakPolarHBondContact CG1-OH 3.49Å; I279-Y356 HydrophobicContact CB-CE1 4.29Å; I279-Y356 HydrophobicContact CD1-CE1 3.74Å; I279-Y356 HydrophobicContact CD1-CE2 4.1Å; I279-Y356 WeakPolarHBondContact CD1-OH 3.49Å; I279-Y356 HydrophobicContact CG1-CD2 4.43Å; I279-Y356 HydrophobicContact CG1-CE1 4Å; I279-Y356 HydrophobicContact CG1-CE2 3.85Å; I279-Y356 HydrophobicContact CG2-CD1 3.26Å; I279-Y356 HydrophobicContact CG2-CD2 4.01Å; I279-Y356 HydrophobicContact CG2-CE1 3.38Å; I279-Y356 HydrophobicContact CG2-CE2 4.14Å; I279-Y356 HydrophobicContact CG2-CG 3.6Å; S332-Y356 VanDerWaalsContact O-CD1 3.31Å; S332-Y356 WeakPolarHBondContact O-CD1 3.35Å; E333-Y356 VanDerWaalsContact C-CE1 3.49Å; E333-Y356 VanDerWaalsContact O-CE1 3.26Å; E333-Y356 WeakPolarHBondContact O-CE1 3.36Å; P334-Y356 VanDerWaalsContact CA-CE1 3.47Å; P334-Y356 HydrophobicContact CB-CD1 4.49Å; P334-Y356 HydrophobicContact CG-CD1 4.14Å; P334-Y356 HydrophobicContact CG-CG 4.2Å; W336-Y356 WeakPolarHBondContact O-CE1 3.49Å; W336-Y356 PolarHBondContact O-OH 3.03Å; D353-Y356 WeakPolarHBondContact O-CE2 3.45Å; Y356-M363 HydrophobicContact CD2-CE 3.62Å; Y356-M363 HydrophobicContact CD2-CG 4.45Å; Y356-M363 HydrophobicContact CD2-SD 3.63Å; Y356-M363 HydrophobicContact CE2-CE 4.23Å; Y356-M363 HydrophobicContact CG-SD 4.31Å
357D98.1Very high97.5Very high20 Ų2038.5 Ų38.511%0.10719%0.186CC..  trans-59.8130.2171.2-162.2-52.4000110.9Y331 D359 H360Y331-D357 HydrophobicContact CE2-CB 4.07Å; Y331-D357 PolarHBondContact OH-OD2 3.12Å; D357-D359 PolarHBondContact O-N 3.23Å; D357-D359 WeakPolarHBondContact OD1-CB 3.23Å; D357-D359 PolarHBondContact OD1-N 3.3Å; D357-H360 PolarHBondContact O-CD2 3.34Å; D357-H360 PolarHBondContact O-N 3.19Å
358P97.9Very high97.7Very high10 Ų1032 Ų327%0.06516%0.158CC..THydrogen-bonded Turntrans-66.1-13.1-179.729.6-39.3000114.1N72 F74 T76 L317 H360N72-P358 HydrophobicContact CB-CB 3.91Å; N72-P358 WeakPolarHBondContact O-CB 3.35Å; F74-P358 HydrophobicContact CB-CG 4.08Å; T76-P358 HydrophobicContact CG2-CB 3.91Å; L317-P358 HydrophobicContact CD2-CG 3.89Å; P358-H360 PolarHBondContact O-N 3.13Å
359D97.2Very high97.9Very high97 Ų9731.5 Ų31.552%0.51916%0.156SC..THydrogen-bonded Turntrans-70.6-18.4176-82.6-10.7000112.9H316 D357H316-D359 IonicContact NE2-OD2 3.41Å; D357-D359 PolarHBondContact O-N 3.23Å; D357-D359 WeakPolarHBondContact OD1-CB 3.23Å; D357-D359 PolarHBondContact OD1-N 3.3Å
360H98Very high98Very high50 Ų5026.8 Ų26.823%0.23113%0.126CC..SBendtrans-73.9127.2171.1-65.1-71.1000111.3E333 P334 D357 P358 E362 M363E333-H360 IonicContact OE2-CE1 3.01Å; E333-H360 IonicContact OE2-NE2 4Å; P334-H360 WeakPolarHBondContact CD-NE2 3.32Å; P334-H360 HydrophobicContact CG-CB 4Å; P334-H360 VanDerWaalsContact CG-CD2 3.45Å; P334-H360 WeakPolarHBondContact CG-CD2 3.06Å; P334-H360 VanDerWaalsContact CG-CG 3.45Å; D357-H360 PolarHBondContact O-CD2 3.34Å; D357-H360 PolarHBondContact O-N 3.19Å; P358-H360 PolarHBondContact O-N 3.13Å; H360-E362 PolarHBondContact O-N 3.44Å; H360-E362 VanDerWaalsContact O-N 3.16Å; H360-M363 PolarHBondContact O-N 3.06Å
361D97.6Very high97.8Very high81 Ų8125.7 Ų25.743%0.43313%0.128SC..G310 helixtrans-58.1-31.6180-72.4-22.1000111.8K69 M363 S364K69-D361 WeakPolarHBondContact CE-OD1 3.48Å; K69-D361 IonicContact NZ-OD1 3.5Å; K69-D361 PolarHBondContact NZ-OD1 3.04Å; D361-M363 PolarHBondContact O-N 3.27Å; D361-M363 VanDerWaalsContact O-N 3.09Å; D361-S364 WeakPolarHBondContact O-CB 3.49Å; D361-S364 PolarHBondContact O-N 3.39Å; D361-S364 PolarHBondContact O-OG 3.28Å
362E97.9Very high97.6Very high75 Ų7520.1 Ų20.135%0.3511%0.111SC..G310 helixtrans-60.8-21.1176.7-6293.4155.300113.5R40 G249 M250 H360R40-E362 VanDerWaalsContact CD-O 3.28Å; R40-E362 WeakPolarHBondContact CD-O 3.27Å; R40-E362 WeakPolarHBondContact CG-O 3.29Å; G249-E362 CarbonylContact C-O 3.59Å; G249-E362 VanDerWaalsContact C-O 3.31Å; G249-E362 WeakPolarHBondContact CA-O 3.47Å; M250-E362 PolarHBondContact N-O 2.81Å; H360-E362 PolarHBondContact O-N 3.44Å; H360-E362 VanDerWaalsContact O-N 3.16Å
363M98.5Very high97.3Very high0 Ų020.1 Ų20.10%011%0.112CC..G310 helixtrans-92.5-3177.6-66.5-58.399.100114.1N72 T76 G249 H354 Y356 H360 D361 P365N72-M363 PolarHBondContact ND2-O 3.31Å; N72-M363 VanDerWaalsContact ND2-O 3.14Å; T76-M363 HydrophobicContact CG2-CB 3.91Å; T76-M363 HydrophobicContact CG2-CG 4.23Å; T76-M363 PolarHBondContact OG1-SD 3.08Å; G249-M363 PolarHBondContact N-O 3.16Å; H354-M363 HydrophobicContact CB-CE 4.34Å; H354-M363 HydrophobicContact CB-SD 4.03Å; Y356-M363 HydrophobicContact CD2-CE 3.62Å; Y356-M363 HydrophobicContact CD2-CG 4.45Å; Y356-M363 HydrophobicContact CD2-SD 3.63Å; Y356-M363 HydrophobicContact CE2-CE 4.23Å; Y356-M363 HydrophobicContact CG-SD 4.31Å; H360-M363 PolarHBondContact O-N 3.06Å; D361-M363 PolarHBondContact O-N 3.27Å; D361-M363 VanDerWaalsContact O-N 3.09Å; M363-P365 WeakPolarHBondContact O-CD 3.31Å
364S98.5Very high97.1Very high0 Ų020.1 Ų20.10%011%0.111CC..PPolyproline II helixtrans-76.4124.5-179.8-64.60000110.8H41 D361H41-S364 WeakPolarHBondContact CB-O 3.21Å; H41-S364 PolarHBondContact N-O 3.39Å; D361-S364 WeakPolarHBondContact O-CB 3.49Å; D361-S364 PolarHBondContact O-N 3.39Å; D361-S364 PolarHBondContact O-OG 3.28Å
365P98.5Very high96.2Very high1 Ų125.8 Ų25.81%0.00613%0.132CC..BIsolated β-bridgetrans-73.5154.8172.827.2-29.5000111.3V70 S246 M363 L390V70-P365 HydrophobicContact CB-CG 3.82Å; V70-P365 HydrophobicContact CG1-CG 3.87Å; S246-P365 VanDerWaalsContact C-CB 3.43Å; S246-P365 WeakPolarHBondContact O-CB 3.49Å; M363-P365 WeakPolarHBondContact O-CD 3.31Å; P365-L390 HydrophobicContact CG-CD1 4.27Å
366F98.5Very high95Very high5 Ų528.7 Ų28.72%0.02215%0.153CC..PPolyproline II helixtrans-73.8159.2169.490.7-61.7000111.8L36 F39 L44 F57 L244 T245 S246 L368L36-F366 HydrophobicContact CB-CE1 4.18Å; L36-F366 HydrophobicContact CD1-CE1 4.32Å; L36-F366 HydrophobicContact CD1-CZ 3.86Å; L36-F366 HydrophobicContact CG-CE1 4.49Å; L36-F366 HydrophobicContact CG-CZ 4.34Å; F39-F366 HydrophobicContact CB-CD1 3.5Å; F39-F366 HydrophobicContact CB-CE1 3.53Å; F39-F366 HydrophobicContact CB-CG 4.47Å; F39-F366 HydrophobicContact CD1-CB 4.05Å; F39-F366 AromaticContact CD1-CD1 3.56Å; F39-F366 HydrophobicContact CD1-CD1 3.56Å; F39-F366 HydrophobicContact CD1-CD2 4.23Å; F39-F366 AromaticContact CD1-CE1 3.99Å; F39-F366 HydrophobicContact CD1-CE1 3.99Å; F39-F366 AromaticContact CD1-CG 3.68Å; F39-F366 HydrophobicContact CD1-CG 3.68Å; F39-F366 HydrophobicContact CD2-CD1 4.39Å; F39-F366 AromaticContact CD2-CE1 3.99Å; F39-F366 HydrophobicContact CD2-CE1 3.99Å; F39-F366 HydrophobicContact CD2-CZ 4.23Å; F39-F366 HydrophobicContact CE1-CD1 4.42Å; F39-F366 HydrophobicContact CE1-CD2 4.32Å; F39-F366 HydrophobicContact CE1-CG 4.18Å; F39-F366 AromaticContact CG-CD1 3.57Å; F39-F366 HydrophobicContact CG-CD1 3.57Å; F39-F366 AromaticContact CG-CE1 3.57Å; F39-F366 HydrophobicContact CG-CE1 3.57Å; F39-F366 HydrophobicContact CG-CG 4.14Å; F39-F366 HydrophobicContact CG-CZ 4.19Å; F39-F366 WeakPolarHBondContact O-CD1 2.91Å; F39-F366 PolarHBondContact O-N 2.84Å; L44-F366 HydrophobicContact CD1-CD2 4.35Å; F57-F366 HydrophobicContact CE1-CE2 4.41Å; L244-F366 HydrophobicContact CB-CE2 3.94Å; L244-F366 HydrophobicContact CB-CZ 3.88Å; T245-F366 VanDerWaalsContact CA-O 3.29Å; T245-F366 WeakPolarHBondContact CA-O 3.42Å; T245-F366 WeakPolarHBondContact O-CE1 3.35Å; T245-F366 PolarHBondContact OG1-O 2.81Å; S246-F366 PolarHBondContact N-O 2.7Å; F366-L368 HydrophobicContact CD2-CD1 4.48Å; F366-L368 HydrophobicContact CD2-CG 4.2Å; F366-L368 HydrophobicContact CE2-CD1 4.32Å; F366-L368 HydrophobicContact CE2-CG 4.3Å
367F98.7Very high93.2Very high1 Ų130.1 Ų30.10%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-149.2124.6171.6-179.4-74.1000111.4V65 V67 V70 I243 L244 A369 I388 I393 L396 L419V65-F367 HydrophobicContact CG2-CE1 4.15Å; V67-F367 HydrophobicContact CB-CB 4.07Å; V67-F367 HydrophobicContact CB-CD1 4.05Å; V67-F367 HydrophobicContact CB-CG 4.35Å; V67-F367 HydrophobicContact CG2-CB 4.34Å; V67-F367 HydrophobicContact CG2-CD1 3.42Å; V67-F367 VanDerWaalsContact CG2-CD1 3.42Å; V67-F367 HydrophobicContact CG2-CE1 3.96Å; V67-F367 HydrophobicContact CG2-CG 4.06Å; V67-F367 PolarHBondContact N-O 2.86Å; V70-F367 HydrophobicContact CG2-CB 3.7Å; I243-F367 HydrophobicContact CD1-CZ 4.47Å; I243-F367 HydrophobicContact CG1-CZ 4.38Å; I243-F367 HydrophobicContact CG2-CD2 4.08Å; I243-F367 HydrophobicContact CG2-CE2 3.52Å; I243-F367 HydrophobicContact CG2-CZ 3.94Å; L244-F367 WeakPolarHBondContact O-CA 3.31Å; F367-A369 HydrophobicContact CE1-CB 3.82Å; F367-A369 HydrophobicContact CZ-CB 4.14Å; F367-I388 HydrophobicContact CD2-CD1 3.97Å; F367-I388 HydrophobicContact CE2-CD1 4.04Å; F367-I388 HydrophobicContact CG-CD1 4.28Å; F367-I388 HydrophobicContact CZ-CD1 4.41Å; F367-I393 HydrophobicContact CD2-CD1 4Å; F367-I393 HydrophobicContact CD2-CG1 4.44Å; F367-I393 HydrophobicContact CE2-CD1 4.03Å; F367-I393 HydrophobicContact CE2-CG1 4.05Å; F367-L396 HydrophobicContact CE2-CD2 4.49Å; F367-L396 HydrophobicContact CZ-CD2 3.92Å; F367-L419 HydrophobicContact CE1-CD2 3.9Å; F367-L419 HydrophobicContact CZ-CD2 4.13Å
368L98.4Very high91Very high3 Ų337 Ų372%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-129.3143.4170.9-63.3179.5000109.3L44 F57 I60 W61 V65 R66 L244 F366L44-L368 HydrophobicContact CD1-CD1 3.78Å; L44-L368 HydrophobicContact CD1-CG 4.4Å; F57-L368 HydrophobicContact CB-CD1 3.93Å; F57-L368 HydrophobicContact CD1-CD1 3.89Å; F57-L368 HydrophobicContact CG-CD1 4.39Å; I60-L368 HydrophobicContact CG2-CB 3.79Å; W61-L368 HydrophobicContact CB-CD2 4.15Å; V65-L368 WeakPolarHBondContact O-CA 3.47Å; R66-L368 HydrophobicContact CB-CD2 3.56Å; R66-L368 HydrophobicContact CG-CD2 3.61Å; L244-L368 HydrophobicContact CB-CB 4.37Å; L244-L368 PolarHBondContact N-O 3.14Å; L244-L368 PolarHBondContact O-N 3.02Å; L244-L368 VanDerWaalsContact O-O 3.05Å; F366-L368 HydrophobicContact CD2-CD1 4.48Å; F366-L368 HydrophobicContact CD2-CG 4.2Å; F366-L368 HydrophobicContact CE2-CD1 4.32Å; F366-L368 HydrophobicContact CE2-CG 4.3Å
369A97.9Very high88.9Confident0 Ų043.5 Ų43.50%024%0.239CC..EExtended strand (participates in β ladder)trans-146.4151.1172.400000112.6G64 V65 I242 I243 F367 F374G64-A369 CarbonylContact C-O 3.57Å; G64-A369 WeakPolarHBondContact CA-O 3.32Å; V65-A369 HydrophobicContact CG2-CB 3.82Å; V65-A369 PolarHBondContact N-O 2.52Å; V65-A369 PolarHBondContact O-N 3.38Å; I242-A369 CarbonylContact O-C 3.52Å; I242-A369 WeakPolarHBondContact O-CA 3.21Å; I242-A369 VanDerWaalsContact O-CB 3.31Å; I242-A369 WeakPolarHBondContact O-CB 3.45Å; I243-A369 HydrophobicContact CG1-CB 4.01Å; F367-A369 HydrophobicContact CE1-CB 3.82Å; F367-A369 HydrophobicContact CZ-CB 4.14Å; A369-F374 HydrophobicContact CB-CD1 4.06Å; A369-F374 HydrophobicContact CB-CD2 4.02Å; A369-F374 HydrophobicContact CB-CE1 3.65Å; A369-F374 HydrophobicContact CB-CE2 3.58Å; A369-F374 HydrophobicContact CB-CG 4.23Å; A369-F374 HydrophobicContact CB-CZ 3.39Å
370T96.2Very high86.8Confident15 Ų1541.5 Ų41.59%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-150160.5177.6-169.30000110.8I60 T63 N241 I242 F374I60-T370 HydrophobicContact CB-CG2 4.34Å; I60-T370 HydrophobicContact CG1-CG2 4.11Å; I60-T370 HydrophobicContact CG2-CG2 3.89Å; T63-T370 PolarHBondContact OG1-OG1 2.9Å; N241-T370 CarbonylContact C-O 3.54Å; N241-T370 WeakPolarHBondContact CA-O 3.3Å; I242-T370 HydrophobicContact CB-CG2 4.21Å; I242-T370 HydrophobicContact CD1-CG2 4.12Å; I242-T370 HydrophobicContact CG1-CG2 4.46Å; I242-T370 PolarHBondContact N-O 2.92Å; I242-T370 PolarHBondContact O-N 3.37Å; T370-F374 WeakPolarHBondContact O-CD2 3.45Å
371G94.5Very high85.3Confident23 Ų2341.7 Ų41.724%0.23726%0.256CS..SBendtrans132.2176178.100000113.8G373 F374G371-G373 VanDerWaalsContact C-N 3.25Å; G371-G373 PolarHBondContact O-N 3.03Å; G371-F374 PolarHBondContact O-N 2.72Å
372P92.4Very high84.4Confident29 Ų2938.3 Ų38.319%0.18824%0.241CC..THydrogen-bonded Turntrans-64.4-23.8-172.525.6-35.1000114.9L240 N241 R421L240-P372 VanDerWaalsContact O-CD 3.26Å; L240-P372 WeakPolarHBondContact O-CD 3.31Å; N241-P372 WeakPolarHBondContact OD1-CD 3.24Å; P372-R421 PolarHBondContact O-NH1 3.05Å
373G92.5Very high83.9Confident1 Ų136.2 Ų36.21%0.0123%0.231CC..THydrogen-bonded Turntrans-85.4-17.217800000114.3N241 G371 L420 R421 S424N241-G373 VanDerWaalsContact OD1-CA 3.3Å; N241-G373 WeakPolarHBondContact OD1-CA 3.27Å; N241-G373 PolarHBondContact OD1-N 3.05Å; G371-G373 VanDerWaalsContact C-N 3.25Å; G371-G373 PolarHBondContact O-N 3.03Å; G373-L420 WeakPolarHBondContact O-CA 3.35Å; G373-R421 PolarHBondContact O-N 3.11Å; G373-S424 WeakPolarHBondContact CA-OG 3.48Å; G373-S424 PolarHBondContact O-OG 2.88Å
374F92.3Very high83.6Confident5 Ų540.5 Ų40.52%0.02225%0.253CS..BIsolated β-bridgetrans-89.7149.3177.4-69.9-74.2000111.7V65 N241 I243 A369 T370 G371 S376 L396 L400 L419V65-F374 HydrophobicContact CG2-CD1 4.37Å; N241-F374 HydrophobicContact CB-CD2 4.28Å; N241-F374 HydrophobicContact CB-CE2 3.92Å; I243-F374 HydrophobicContact CD1-CZ 4.06Å; I243-F374 HydrophobicContact CG1-CE2 4.18Å; I243-F374 HydrophobicContact CG1-CZ 3.69Å; A369-F374 HydrophobicContact CB-CD1 4.06Å; A369-F374 HydrophobicContact CB-CD2 4.02Å; A369-F374 HydrophobicContact CB-CE1 3.65Å; A369-F374 HydrophobicContact CB-CE2 3.58Å; A369-F374 HydrophobicContact CB-CG 4.23Å; A369-F374 HydrophobicContact CB-CZ 3.39Å; T370-F374 WeakPolarHBondContact O-CD2 3.45Å; G371-F374 PolarHBondContact O-N 2.72Å; F374-S376 PolarHBondContact O-N 3.1Å; F374-L396 HydrophobicContact CE1-CD1 4.23Å; F374-L396 HydrophobicContact CE1-CD2 4.22Å; F374-L400 HydrophobicContact CD2-CD2 4.44Å; F374-L400 HydrophobicContact CE1-CD1 4.05Å; F374-L400 HydrophobicContact CE1-CD2 4.45Å; F374-L400 HydrophobicContact CE2-CD1 3.86Å; F374-L400 HydrophobicContact CE2-CD2 4.17Å; F374-L400 HydrophobicContact CZ-CD1 3.37Å; F374-L400 HydrophobicContact CZ-CD2 4.16Å; F374-L400 HydrophobicContact CZ-CG 4.38Å; F374-L419 WeakPolarHBondContact CA-O 3.26Å; F374-L419 HydrophobicContact CD1-CB 4.34Å; F374-L419 HydrophobicContact CE1-CB 4.5Å
375R80.2Confident83.3Confident126 Ų12641.3 Ų41.348%0.47526%0.257SS..PPolyproline II helixtrans-73.2119.4171.2-177.6174.1-177.2-173.91108.9V65 L419V65-R375 WeakPolarHBondContact CG1-O 3.45Å; R375-L419 PolarHBondContact N-O 3.35Å
376S72.3Confident83.2Confident61 Ų6147.5 Ų47.543%0.42729%0.29SS..PPolyproline II helixtrans-93135.3165.4-156.40000108.3T63 F374T63-S376 VanDerWaalsContact C-OG 3.32Å; T63-S376 WeakPolarHBondContact O-CB 3.27Å; T63-S376 PolarHBondContact O-OG 3.43Å; F374-S376 PolarHBondContact O-N 3.1Å
377A61.6Low83.1Confident30 Ų3049.7 Ų49.725%0.24831%0.306CS..PPolyproline II helixtrans-59.8155169.500000110.1V379 G382A377-V379 PolarHBondContact O-N 3.14Å; A377-G382 WeakPolarHBondContact CB-O 3.5Å
378I51.3Low83.1Confident163 Ų16349.8 Ų49.884%0.83631%0.307SS*.G310 helixtrans-51.4128.9173.8-63176.3000108.6G380I378-G380 PolarHBondContact O-N 3.18Å
379V54.3Low83.1Confident148 Ų14854.5 Ų54.590%0.89733%0.325SS*.G310 helixtrans19.687.3178.7-169.40000114.8A377A377-V379 PolarHBondContact O-N 3.14Å
380G53.6Low83.1Confident55 Ų5554.5 Ų54.557%0.56733%0.325SS*.G310 helixtrans91.62.4156.900000117.8I378I378-G380 PolarHBondContact O-N 3.18Å
381G65.7Low83.2Confident53 Ų5354 Ų5455%0.54632%0.322SS..  trans-86.9-20.4-176.900000116.9
382G78.8Confident83.4Confident11 Ų1153 Ų5311%0.11331%0.311CS..  trans58.9154.9-165.300000113.4W61 K62 A377W61-G382 WeakPolarHBondContact O-CA 3.44Å; K62-G382 PolarHBondContact O-N 3.44Å; A377-G382 WeakPolarHBondContact CB-O 3.5Å
383Q87.8Confident83.7Confident30 Ų3051.6 Ų51.614%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-97.9133.6171.9-171.9175.9-2.400109.9G64 V65 R66 I385 S418G64-Q383 PolarHBondContact O-N 3.18Å; V65-Q383 CarbonylContact C-O 3.52Å; V65-Q383 VanDerWaalsContact CA-O 3.3Å; V65-Q383 WeakPolarHBondContact CA-O 3.35Å; V65-Q383 HydrophobicContact CB-CB 4.41Å; V65-Q383 HydrophobicContact CG1-CB 4.01Å; R66-Q383 PolarHBondContact N-O 3.07Å; Q383-I385 HydrophobicContact CG-CD1 4.02Å; Q383-I385 HydrophobicContact CG-CG1 4.46Å; Q383-I385 VanDerWaalsContact NE2-CD1 3.28Å; Q383-S418 PolarHBondContact NE2-O 3.01Å
384I91.7Very high84Confident90 Ų9051.5 Ų51.546%0.46230%0.301SS..EExtended strand (participates in β ladder)trans-99.5130.4167.8-57.4175.9000107.8W61 R66 M68W61-I384 HydrophobicContact CZ2-CD1 3.73Å; W61-I384 HydrophobicContact CZ2-CG1 3.72Å; R66-I384 WeakPolarHBondContact O-CA 3.28Å; M68-I384 HydrophobicContact CG-CG2 3.58Å; M68-I384 HydrophobicContact SD-CG2 3.93Å
385I92.9Very high84.3Confident18 Ų1851.8 Ų51.89%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-112.7134170.9-60.1-63.6000107.7R66 V67 M68 Q383 I388 L419R66-I385 PolarHBondContact O-N 2.91Å; V67-I385 CarbonylContact C-O 3.57Å; V67-I385 WeakPolarHBondContact CA-O 3.47Å; V67-I385 HydrophobicContact CB-CB 4.48Å; V67-I385 HydrophobicContact CG1-CG2 4.38Å; V67-I385 HydrophobicContact CG2-CB 3.96Å; V67-I385 HydrophobicContact CG2-CG2 4.21Å; M68-I385 PolarHBondContact N-O 3.17Å; Q383-I385 HydrophobicContact CG-CD1 4.02Å; Q383-I385 HydrophobicContact CG-CG1 4.46Å; Q383-I385 VanDerWaalsContact NE2-CD1 3.28Å; I385-I388 HydrophobicContact CG2-CG2 4.12Å; I385-L419 HydrophobicContact CD1-CD1 4.17Å; I385-L419 HydrophobicContact CG1-CD1 3.92Å; I385-L419 HydrophobicContact CG1-CG 4.16Å; I385-L419 HydrophobicContact CG2-CD1 4.22Å
386N94.9Very high85.1Confident131 Ų13145.8 Ų45.870%0.70128%0.281SS*.EExtended strand (participates in β ladder)trans-65-57.1-177.5-68-6.3000111.1K69K69-N386 PolarHBondContact N-O 3.37Å
387S97Very high86.4Confident51 Ų5142.9 Ų42.936%0.35726%0.26SS..EExtended strand (participates in β ladder)trans-152.9158.9177.764.80000114.6K69 H71K69-S387 CarbonylContact O-C 3.43Å; K69-S387 WeakPolarHBondContact O-CA 3.24Å; K69-S387 WeakPolarHBondContact O-CB 3.43Å; H71-S387 PolarHBondContact NE2-OG 3.3Å
388I97.9Very high88.1Confident3 Ų341.6 Ų41.62%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-138.1170.4167.571.9177.5000108.8V67 K69 V70 H71 F367 I385 I393 V416 L419V67-I388 HydrophobicContact CG1-CG1 4.15Å; V67-I388 HydrophobicContact CG1-CG2 4.17Å; V67-I388 HydrophobicContact CG2-CD1 4.22Å; V67-I388 HydrophobicContact CG2-CG2 4.08Å; K69-I388 PolarHBondContact O-N 3.07Å; K69-I388 VanDerWaalsContact O-N 3.1Å; V70-I388 CarbonylContact C-O 3.59Å; V70-I388 WeakPolarHBondContact CA-O 3.21Å; V70-I388 HydrophobicContact CB-CG1 4.48Å; V70-I388 HydrophobicContact CG1-CG1 4.23Å; V70-I388 HydrophobicContact CG2-CD1 4.33Å; V70-I388 HydrophobicContact CG2-CG1 4.04Å; H71-I388 PolarHBondContact CD2-O 2.9Å; H71-I388 PolarHBondContact N-O 3.21Å; F367-I388 HydrophobicContact CD2-CD1 3.97Å; F367-I388 HydrophobicContact CE2-CD1 4.04Å; F367-I388 HydrophobicContact CG-CD1 4.28Å; F367-I388 HydrophobicContact CZ-CD1 4.41Å; I385-I388 HydrophobicContact CG2-CG2 4.12Å; I388-I393 HydrophobicContact CD1-CG1 4.08Å; I388-V416 HydrophobicContact CB-CG1 4.02Å; I388-V416 HydrophobicContact CG2-CG1 3.83Å; I388-L419 HydrophobicContact CG2-CD1 4.23Å
389Y98.4Very high90.3Very high102 Ų10234.6 Ų34.640%0.422%0.216SC..EExtended strand (participates in β ladder)trans-98.7146.3167.5-65.4-99.3000110.7H71 I391 D392H71-Y389 HydrophobicContact CB-CD1 3.51Å; H71-Y389 HydrophobicContact CB-CE1 3.76Å; H71-Y389 HydrophobicContact CB-CG 4.08Å; Y389-I391 VanDerWaalsContact C-N 3.26Å; Y389-I391 PolarHBondContact O-N 3.19Å; Y389-D392 PolarHBondContact N-OD2 3.15Å; Y389-D392 VanDerWaalsContact O-CB 3.3Å; Y389-D392 WeakPolarHBondContact O-CB 3.38Å; Y389-D392 PolarHBondContact O-N 3.07Å
390L98.7Very high92.2Very high0 Ų027.6 Ų27.60%017%0.174CC..G310 helixtrans-53.7-44.9179-173.681.4000111.5V70 H71 N72 E73 N81 L85 P365 D392 I393V70-L390 HydrophobicContact CG1-CB 4.15Å; V70-L390 HydrophobicContact CG1-CD1 4.17Å; H71-L390 PolarHBondContact O-N 3.46Å; N72-L390 WeakPolarHBondContact OD1-CD2 3.33Å; E73-L390 HydrophobicContact CG-CD2 4.08Å; N81-L390 HydrophobicContact CB-CD2 3.89Å; N81-L390 WeakPolarHBondContact OD1-CD2 3.4Å; L85-L390 HydrophobicContact CB-CG 4.44Å; L85-L390 HydrophobicContact CD1-CD1 4.34Å; P365-L390 HydrophobicContact CG-CD1 4.27Å; L390-D392 PolarHBondContact O-N 3.02Å; L390-I393 HydrophobicContact CD1-CD1 4.1Å; L390-I393 VanDerWaalsContact O-CB 3.29Å; L390-I393 WeakPolarHBondContact O-CB 3.32Å; L390-I393 VanDerWaalsContact O-CG1 3.28Å; L390-I393 WeakPolarHBondContact O-CG1 3.41Å; L390-I393 PolarHBondContact O-N 3.2Å; L390-I393 VanDerWaalsContact O-N 3.08Å
391I98.6Very high94.3Very high5 Ų525 Ų253%0.02615%0.147CC..G310 helixtrans-64.4-17.717854.1166.8000114.2E73 G88 H90 Y389 I393 P395 N410 G411E73-I391 HydrophobicContact CG-CG2 3.99Å; E73-I391 WeakPolarHBondContact OE1-CG2 3.41Å; G88-I391 WeakPolarHBondContact CA-O 3.42Å; H90-I391 VanDerWaalsContact CE1-CD1 3.49Å; H90-I391 WeakPolarHBondContact CE1-CD1 3.24Å; Y389-I391 VanDerWaalsContact C-N 3.26Å; Y389-I391 PolarHBondContact O-N 3.19Å; I391-I393 PolarHBondContact O-N 3.21Å; I391-P395 VanDerWaalsContact O-CD 3.23Å; I391-P395 WeakPolarHBondContact O-CD 3.46Å; I391-N410 HydrophobicContact CD1-CB 3.94Å; I391-G411 WeakPolarHBondContact O-CA 3.4Å
392D98.7Very high95.6Very high0 Ų025.8 Ų25.80%014%0.138CC..G310 helixtrans-76.4-13.3175.1-62.6-25.6000112.8Y389 L390 Y394 P395 L396 G411 S412 R415 V416Y389-D392 PolarHBondContact N-OD2 3.15Å; Y389-D392 VanDerWaalsContact O-CB 3.3Å; Y389-D392 WeakPolarHBondContact O-CB 3.38Å; Y389-D392 PolarHBondContact O-N 3.07Å; L390-D392 PolarHBondContact O-N 3.02Å; D392-Y394 VanDerWaalsContact C-N 3.3Å; D392-Y394 PolarHBondContact O-N 3.23Å; D392-P395 VanDerWaalsContact O-CD 3.23Å; D392-P395 WeakPolarHBondContact O-CD 3.34Å; D392-P395 VanDerWaalsContact O-CG 3.28Å; D392-P395 WeakPolarHBondContact O-CG 3.45Å; D392-L396 WeakPolarHBondContact O-CB 3.42Å; D392-L396 PolarHBondContact O-N 2.83Å; D392-L396 VanDerWaalsContact O-N 3.15Å; D392-G411 WeakPolarHBondContact OD1-CA 3.37Å; D392-S412 PolarHBondContact OD1-N 3.32Å; D392-R415 VanDerWaalsContact CG-NE 3.34Å; D392-R415 IonicContact OD1-CZ 3.13Å; D392-R415 VanDerWaalsContact OD1-CZ 3.27Å; D392-R415 IonicContact OD1-NE 2.8Å; D392-R415 PolarHBondContact OD1-NE 3.44Å; D392-R415 VanDerWaalsContact OD1-NE 3.13Å; D392-R415 IonicContact OD1-NH2 2.78Å; D392-R415 PolarHBondContact OD1-NH2 3.13Å; D392-R415 WeakPolarHBondContact OD2-CB 3.17Å; D392-R415 IonicContact OD2-CZ 3.39Å; D392-R415 IonicContact OD2-NE 2.67Å; D392-R415 PolarHBondContact OD2-NE 3.45Å; D392-R415 IonicContact OD2-NH2 3.56Å; D392-V416 HydrophobicContact CB-CG1 3.51Å; D392-V416 HydrophobicContact CB-CG2 4.3Å
393I98.7Very high96.4Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-64.6-37.3175.9-60.5174.4000109.9L85 F367 I388 L390 I391 L396 M397L85-I393 HydrophobicContact CD1-CD1 4.35Å; L85-I393 HydrophobicContact CD2-CB 4.49Å; L85-I393 HydrophobicContact CD2-CG2 3.81Å; L85-I393 HydrophobicContact CG-CB 4.34Å; L85-I393 HydrophobicContact CG-CD1 4.16Å; L85-I393 HydrophobicContact CG-CG2 4.11Å; F367-I393 HydrophobicContact CD2-CD1 4Å; F367-I393 HydrophobicContact CD2-CG1 4.44Å; F367-I393 HydrophobicContact CE2-CD1 4.03Å; F367-I393 HydrophobicContact CE2-CG1 4.05Å; I388-I393 HydrophobicContact CD1-CG1 4.08Å; L390-I393 HydrophobicContact CD1-CD1 4.1Å; L390-I393 VanDerWaalsContact O-CB 3.29Å; L390-I393 WeakPolarHBondContact O-CB 3.32Å; L390-I393 VanDerWaalsContact O-CG1 3.28Å; L390-I393 WeakPolarHBondContact O-CG1 3.41Å; L390-I393 PolarHBondContact O-N 3.2Å; L390-I393 VanDerWaalsContact O-N 3.08Å; I391-I393 PolarHBondContact O-N 3.21Å; I393-L396 WeakPolarHBondContact O-CB 3.47Å; I393-L396 PolarHBondContact O-N 3.14Å; I393-M397 HydrophobicContact CG2-CE 4.26Å; I393-M397 HydrophobicContact CG2-CG 4.19Å; I393-M397 HydrophobicContact CG2-SD 4.45Å; I393-M397 VanDerWaalsContact O-CG 3.24Å; I393-M397 WeakPolarHBondContact O-CG 3.18Å; I393-M397 PolarHBondContact O-N 3.07Å
394Y98.8Very high96.7Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-58.7-55.2176.5174.7-97.8000114.5V86 G88 I131 T134 D392 L396 M397 C398 P406 A407 N409V86-Y394 WeakPolarHBondContact O-CD2 3.39Å; V86-Y394 WeakPolarHBondContact O-CE2 3.37Å; G88-Y394 VanDerWaalsContact CA-CB 3.41Å; G88-Y394 VanDerWaalsContact N-CB 3.26Å; I131-Y394 HydrophobicContact CB-CD2 4.09Å; I131-Y394 HydrophobicContact CB-CE2 3.99Å; I131-Y394 HydrophobicContact CD1-CD2 4.19Å; I131-Y394 HydrophobicContact CD1-CE2 3.86Å; T134-Y394 PolarHBondContact OG1-OH 2.73Å; D392-Y394 VanDerWaalsContact C-N 3.3Å; D392-Y394 PolarHBondContact O-N 3.23Å; Y394-L396 VanDerWaalsContact C-N 3.26Å; Y394-L396 PolarHBondContact O-N 3.45Å; Y394-M397 WeakPolarHBondContact O-CB 3.35Å; Y394-M397 PolarHBondContact O-N 3.28Å; Y394-C398 PolarHBondContact O-N 2.68Å; Y394-C398 PolarHBondContact O-SG 2.74Å; Y394-C398 VanDerWaalsContact O-SG 3.34Å; Y394-P406 HydrophobicContact CE1-CB 4Å; Y394-A407 WeakPolarHBondContact OH-CB 3.4Å; Y394-A407 PolarHBondContact OH-N 3.44Å; Y394-N409 HydrophobicContact CD1-CB 3.85Å; Y394-N409 HydrophobicContact CE1-CB 4.01Å
395P98.3Very high96.8Very high10 Ų1032.2 Ų32.27%0.06517%0.165CC..Hα-helixtrans-64.7-30.6176.523.5-32000112.4I391 D392 C398 A399 L413I391-P395 VanDerWaalsContact O-CD 3.23Å; I391-P395 WeakPolarHBondContact O-CD 3.46Å; D392-P395 VanDerWaalsContact O-CD 3.23Å; D392-P395 WeakPolarHBondContact O-CD 3.34Å; D392-P395 VanDerWaalsContact O-CG 3.28Å; D392-P395 WeakPolarHBondContact O-CG 3.45Å; P395-C398 PolarHBondContact O-N 2.97Å; P395-A399 PolarHBondContact O-N 3.27Å; P395-L413 HydrophobicContact CB-CB 4.07Å
396L98Very high97Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-60-47.7170.5174.964.4000111.5I243 F367 F374 D392 I393 Y394 C398 A399 L400 V416 L419 L420I243-L396 HydrophobicContact CD1-CD2 4.24Å; F367-L396 HydrophobicContact CE2-CD2 4.49Å; F367-L396 HydrophobicContact CZ-CD2 3.92Å; F374-L396 HydrophobicContact CE1-CD1 4.23Å; F374-L396 HydrophobicContact CE1-CD2 4.22Å; D392-L396 WeakPolarHBondContact O-CB 3.42Å; D392-L396 PolarHBondContact O-N 2.83Å; D392-L396 VanDerWaalsContact O-N 3.15Å; I393-L396 WeakPolarHBondContact O-CB 3.47Å; I393-L396 PolarHBondContact O-N 3.14Å; Y394-L396 VanDerWaalsContact C-N 3.26Å; Y394-L396 PolarHBondContact O-N 3.45Å; L396-C398 VanDerWaalsContact C-N 3.32Å; L396-C398 PolarHBondContact O-N 3.4Å; L396-A399 PolarHBondContact O-N 2.72Å; L396-L400 HydrophobicContact CD1-CD1 4.17Å; L396-L400 HydrophobicContact CD1-CG 4.37Å; L396-L400 HydrophobicContact CG-CD1 4.02Å; L396-L400 WeakPolarHBondContact O-CG 3.29Å; L396-L400 PolarHBondContact O-N 2.75Å; L396-V416 HydrophobicContact CB-CG2 3.96Å; L396-L419 HydrophobicContact CD2-CD2 4.01Å; L396-L420 HydrophobicContact CD1-CD1 4.47Å; L396-L420 HydrophobicContact CD1-CD2 3.67Å; L396-L420 HydrophobicContact CD1-CG 3.97Å
397M98.6Very high97.1Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-61.1-41.7176.5-67.2-167.7-75.700111.8L31 V33 L85 I131 I243 I393 Y394 A399 L400 L401L31-M397 HydrophobicContact CD2-CB 3.68Å; L31-M397 HydrophobicContact CD2-CG 3.53Å; L31-M397 HydrophobicContact CD2-SD 4Å; V33-M397 HydrophobicContact CG2-CG 4.45Å; V33-M397 HydrophobicContact CG2-SD 3.69Å; L85-M397 HydrophobicContact CD2-CE 3.99Å; L85-M397 WeakPolarHBondContact O-CE 3.29Å; I131-M397 HydrophobicContact CB-CE 4.1Å; I131-M397 HydrophobicContact CD1-CB 4.16Å; I131-M397 HydrophobicContact CG1-CB 4.14Å; I131-M397 HydrophobicContact CG1-CE 4.25Å; I131-M397 HydrophobicContact CG1-SD 4.39Å; I131-M397 HydrophobicContact CG2-CE 3.93Å; I131-M397 HydrophobicContact CG2-SD 4.28Å; I243-M397 HydrophobicContact CD1-CG 4.28Å; I393-M397 HydrophobicContact CG2-CE 4.26Å; I393-M397 HydrophobicContact CG2-CG 4.19Å; I393-M397 HydrophobicContact CG2-SD 4.45Å; I393-M397 VanDerWaalsContact O-CG 3.24Å; I393-M397 WeakPolarHBondContact O-CG 3.18Å; I393-M397 PolarHBondContact O-N 3.07Å; Y394-M397 WeakPolarHBondContact O-CB 3.35Å; Y394-M397 PolarHBondContact O-N 3.28Å; M397-A399 VanDerWaalsContact C-N 3.35Å; M397-A399 PolarHBondContact O-N 3.34Å; M397-L400 PolarHBondContact O-N 3.32Å; M397-L401 WeakPolarHBondContact O-CB 3.31Å; M397-L401 WeakPolarHBondContact O-CG 3.49Å; M397-L401 PolarHBondContact O-N 3.25Å
398C98.1Very high97.1Very high3 Ų331.5 Ų31.52%0.0217%0.168CC..Hα-helixtrans-59.1-45.8175.3-67.80000111.7I131 Y394 P395 L396 L401 N402 L403 P406I131-C398 WeakPolarHBondContact CD1-SG 3.44Å; Y394-C398 PolarHBondContact O-N 2.68Å; Y394-C398 PolarHBondContact O-SG 2.74Å; Y394-C398 VanDerWaalsContact O-SG 3.34Å; P395-C398 PolarHBondContact O-N 2.97Å; L396-C398 VanDerWaalsContact C-N 3.32Å; L396-C398 PolarHBondContact O-N 3.4Å; C398-L401 PolarHBondContact O-N 3.33Å; C398-N402 PolarHBondContact O-N 2.91Å; C398-N402 VanDerWaalsContact O-N 3.13Å; C398-L403 HydrophobicContact CB-CB 4.15Å; C398-L403 PolarHBondContact O-N 2.88Å; C398-P406 HydrophobicContact CB-CB 4.44Å; C398-P406 HydrophobicContact CB-CG 3.98Å
399A95.9Very high97.1Very high16 Ų1633.7 Ų33.713%0.13218%0.18CC..Hα-helixtrans-63.8-45.7178.400000112P395 L396 M397 L401 N402 L413 L420P395-A399 PolarHBondContact O-N 3.27Å; L396-A399 PolarHBondContact O-N 2.72Å; M397-A399 VanDerWaalsContact C-N 3.35Å; M397-A399 PolarHBondContact O-N 3.34Å; A399-L401 PolarHBondContact O-N 2.83Å; A399-N402 PolarHBondContact O-N 3.07Å; A399-N402 VanDerWaalsContact O-N 3.09Å; A399-L413 HydrophobicContact CB-CD1 3.71Å; A399-L413 HydrophobicContact CB-CD2 4.29Å; A399-L420 HydrophobicContact CB-CD1 3.75Å
400L96.2Very high97.1Very high2 Ų231.9 Ų31.91%0.0118%0.177CC..Hα-helixtrans-60.2-33.1177.7-71.6165.7000113Q29 L31 N241 I243 F374 L396 M397 L420Q29-L400 WeakPolarHBondContact CB-O 3.15Å; L31-L400 HydrophobicContact CD1-CD1 4.07Å; N241-L400 HydrophobicContact CB-CD2 4.41Å; I243-L400 HydrophobicContact CD1-CD1 4.16Å; F374-L400 HydrophobicContact CD2-CD2 4.44Å; F374-L400 HydrophobicContact CE1-CD1 4.05Å; F374-L400 HydrophobicContact CE1-CD2 4.45Å; F374-L400 HydrophobicContact CE2-CD1 3.86Å; F374-L400 HydrophobicContact CE2-CD2 4.17Å; F374-L400 HydrophobicContact CZ-CD1 3.37Å; F374-L400 HydrophobicContact CZ-CD2 4.16Å; F374-L400 HydrophobicContact CZ-CG 4.38Å; L396-L400 HydrophobicContact CD1-CD1 4.17Å; L396-L400 HydrophobicContact CD1-CG 4.37Å; L396-L400 HydrophobicContact CG-CD1 4.02Å; L396-L400 WeakPolarHBondContact O-CG 3.29Å; L396-L400 PolarHBondContact O-N 2.75Å; M397-L400 PolarHBondContact O-N 3.32Å; L400-L420 HydrophobicContact CD2-CD2 3.51Å; L400-L420 HydrophobicContact CG-CD2 3.89Å
401L96.5Very high97Very high1 Ų132.6 Ų32.61%0.00519%0.185CC..THydrogen-bonded Turntrans-90.90.9179.6-72.1170.9000113.7L31 I131 T189 L190 M397 C398 A399 L403L31-L401 HydrophobicContact CB-CD1 4.4Å; L31-L401 HydrophobicContact CB-CD2 3.79Å; L31-L401 HydrophobicContact CB-CG 4.03Å; L31-L401 HydrophobicContact CD2-CD1 4.25Å; L31-L401 HydrophobicContact CD2-CG 4.37Å; I131-L401 HydrophobicContact CG1-CD1 4.46Å; T189-L401 WeakPolarHBondContact O-CD2 3.33Å; L190-L401 HydrophobicContact CB-CD1 4.3Å; L190-L401 HydrophobicContact CD1-CD1 4.2Å; M397-L401 WeakPolarHBondContact O-CB 3.31Å; M397-L401 WeakPolarHBondContact O-CG 3.49Å; M397-L401 PolarHBondContact O-N 3.25Å; C398-L401 PolarHBondContact O-N 3.33Å; A399-L401 PolarHBondContact O-N 2.83Å; L401-L403 VanDerWaalsContact C-N 3.28Å; L401-L403 HydrophobicContact CB-CD1 4.04Å; L401-L403 HydrophobicContact CB-CD2 4.14Å; L401-L403 HydrophobicContact CB-CG 3.67Å; L401-L403 HydrophobicContact CD1-CD1 4.05Å; L401-L403 PolarHBondContact O-N 3.23Å
402N93.6Very high97Very high68 Ų6833.8 Ų33.836%0.36419%0.193SC..THydrogen-bonded Turntrans56.735.2-172.6-59.8-53000113.9C398 A399 N404C398-N402 PolarHBondContact O-N 2.91Å; C398-N402 VanDerWaalsContact O-N 3.13Å; A399-N402 PolarHBondContact O-N 3.07Å; A399-N402 VanDerWaalsContact O-N 3.09Å; N402-N404 PolarHBondContact O-N 3Å; N402-N404 VanDerWaalsContact O-N 3.16Å
403L95.5Very high96.9Very high7 Ų736.4 Ų36.44%0.03721%0.207CC..  trans-81.492.5176.8-52.5-179.3000109.7I131 T134 N135 H138 C398 L401 K405 P406I131-L403 HydrophobicContact CD1-CD1 3.67Å; T134-L403 HydrophobicContact CG2-CB 4.48Å; T134-L403 HydrophobicContact CG2-CD1 3.98Å; N135-L403 HydrophobicContact CB-CD1 4.21Å; H138-L403 HydrophobicContact CB-CD2 3.75Å; C398-L403 HydrophobicContact CB-CB 4.15Å; C398-L403 PolarHBondContact O-N 2.88Å; L401-L403 VanDerWaalsContact C-N 3.28Å; L401-L403 HydrophobicContact CB-CD1 4.04Å; L401-L403 HydrophobicContact CB-CD2 4.14Å; L401-L403 HydrophobicContact CB-CG 3.67Å; L401-L403 HydrophobicContact CD1-CD1 4.05Å; L401-L403 PolarHBondContact O-N 3.23Å; L403-K405 PolarHBondContact O-N 3.03Å; L403-P406 WeakPolarHBondContact O-CD 3.36Å
404N92.9Very high96.7Very high121 Ų12140.8 Ų40.865%0.64724%0.238SC*.SBendtrans-74.1-6.8-174.167.4-0.8000115H138 N402H138-N404 PolarHBondContact NE2-N 2.99Å; H138-N404 PolarHBondContact NE2-OD1 2.84Å; N402-N404 PolarHBondContact O-N 3Å; N402-N404 VanDerWaalsContact O-N 3.16Å
405K95.2Very high96.6Very high139 Ų13946 Ų4660%0.60426%0.257SS*.SBendtrans-12869174.7-65.3176.1-176178.70111.6R137 H138 L403R137-K405 PolarHBondContact NH1-O 3.27Å; R137-K405 PolarHBondContact NH2-O 2.92Å; H138-K405 PolarHBondContact CE1-O 3.35Å; H138-K405 PolarHBondContact NE2-N 3.11Å; H138-K405 VanDerWaalsContact NE2-N 3.13Å; L403-K405 PolarHBondContact O-N 3.03Å
406P96.9Very high96.4Very high58 Ų5845.5 Ų45.538%0.37725%0.254SS..PPolyproline II helixtrans-55.2155.2172.4-21.333.4000111.7Y394 C398 L403Y394-P406 HydrophobicContact CE1-CB 4Å; C398-P406 HydrophobicContact CB-CB 4.44Å; C398-P406 HydrophobicContact CB-CG 3.98Å; L403-P406 WeakPolarHBondContact O-CD 3.36Å
407A97Very high96.1Very high6 Ų649 Ų495%0.0527%0.272CS..PPolyproline II helixtrans-70.5158.6168.600000110.9E129 Y394 N409E129-A407 HydrophobicContact CB-CB 3.52Å; E129-A407 HydrophobicContact CG-CB 4.05Å; Y394-A407 WeakPolarHBondContact OH-CB 3.4Å; Y394-A407 PolarHBondContact OH-N 3.44Å; A407-N409 PolarHBondContact O-N 3.49Å; A407-N409 PolarHBondContact O-ND2 3.02Å
408P97.1Very high95.7Very high121 Ų12151.8 Ų51.879%0.78629%0.291SS*.SBendtrans-53.6128.3170.2-24.434.7000110.8
409N97.9Very high95.4Very high48 Ų4851.6 Ų51.626%0.25729%0.29SS..  trans-149.5164.3-176.567.994.9000110.2T87 Y394 A407 G411T87-N409 VanDerWaalsContact O-CB 3.27Å; T87-N409 WeakPolarHBondContact O-CB 3.38Å; Y394-N409 HydrophobicContact CD1-CB 3.85Å; Y394-N409 HydrophobicContact CE1-CB 4.01Å; A407-N409 PolarHBondContact O-N 3.49Å; A407-N409 PolarHBondContact O-ND2 3.02Å; N409-G411 WeakPolarHBondContact OD1-CA 3.41Å; N409-G411 PolarHBondContact OD1-N 3.3Å; N409-G411 VanDerWaalsContact OD1-N 3.15Å; N409-G411 PolarHBondContact OD1-O 3.07Å
410N97.8Very high95.2Very high64 Ų6451.1 Ų51.134%0.34229%0.285SS..SBendtrans-90.8-13.9177.8-58.5109.2000113.1G88 M89 H90 I391G88-N410 CarbonylContact O-C 3.31Å; G88-N410 WeakPolarHBondContact O-CA 3.26Å; G88-N410 WeakPolarHBondContact O-CB 3.31Å; G88-N410 PolarHBondContact O-N 3.15Å; M89-N410 VanDerWaalsContact CA-OD1 3.23Å; M89-N410 WeakPolarHBondContact CA-OD1 3.36Å; H90-N410 PolarHBondContact CD2-OD1 3.47Å; H90-N410 PolarHBondContact N-OD1 3.02Å; H90-N410 WeakPolarHBondContact NE2-CB 3.18Å; I391-N410 HydrophobicContact CD1-CB 3.94Å
411G97.9Very high94.6Very high15 Ų1557 Ų5716%0.15531%0.307CS..  trans-66.9165.217700000113.8G88 I391 D392 N409G88-G411 PolarHBondContact O-N 3.33Å; I391-G411 WeakPolarHBondContact O-CA 3.4Å; D392-G411 WeakPolarHBondContact OD1-CA 3.37Å; N409-G411 WeakPolarHBondContact OD1-CA 3.41Å; N409-G411 PolarHBondContact OD1-N 3.3Å; N409-G411 VanDerWaalsContact OD1-N 3.15Å; N409-G411 PolarHBondContact OD1-O 3.07Å
412S97.4Very high93.1Very high30 Ų3064.2 Ų64.221%0.2134%0.34CS..  trans-134116.3177.5-170.30000112D392 S414 R415D392-S412 PolarHBondContact OD1-N 3.32Å; S412-S414 PolarHBondContact O-N 3.28Å; S412-S414 PolarHBondContact OG-OG 3.47Å; S412-R415 PolarHBondContact O-N 3.31Å
413L96Very high91.2Very high56 Ų5665.2 Ų65.229%0.29335%0.352SS..Hα-helixtrans-57.7-33.1172.7-177.257.7000112P395 A399 R415 V416 M417 L420P395-L413 HydrophobicContact CB-CB 4.07Å; A399-L413 HydrophobicContact CB-CD1 3.71Å; A399-L413 HydrophobicContact CB-CD2 4.29Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 2.93Å; L413-V416 HydrophobicContact CD1-CG2 4.22Å; L413-V416 CarbonylContact O-C 3.6Å; L413-V416 WeakPolarHBondContact O-CG2 3.13Å; L413-V416 PolarHBondContact O-N 3.27Å; L413-V416 VanDerWaalsContact O-N 3.14Å; L413-M417 HydrophobicContact CD1-CE 4.43Å; L413-M417 HydrophobicContact CD2-CE 3.78Å; L413-M417 HydrophobicContact CG-CE 3.68Å; L413-M417 HydrophobicContact CG-SD 4.46Å; L413-M417 PolarHBondContact O-N 3.38Å; L413-L420 HydrophobicContact CD1-CD1 4.14Å
414S95.7Very high89.2Confident91 Ų9165.9 Ų65.964%0.63636%0.358SS*.Hα-helixtrans-61.6-33-178.170.80000113.2S412 V416S412-S414 PolarHBondContact O-N 3.28Å; S412-S414 PolarHBondContact OG-OG 3.47Å; S414-V416 VanDerWaalsContact C-N 3.31Å; S414-V416 PolarHBondContact O-N 3.31Å
415R95.5Very high86.9Confident109 Ų10960.9 Ų60.941%0.41133%0.334SS..Hα-helixtrans-70.6-28178.5-69.6-169.7-70-107.15.3112.7D392 S412 L413D392-R415 VanDerWaalsContact CG-NE 3.34Å; D392-R415 IonicContact OD1-CZ 3.13Å; D392-R415 VanDerWaalsContact OD1-CZ 3.27Å; D392-R415 IonicContact OD1-NE 2.8Å; D392-R415 PolarHBondContact OD1-NE 3.44Å; D392-R415 VanDerWaalsContact OD1-NE 3.13Å; D392-R415 IonicContact OD1-NH2 2.78Å; D392-R415 PolarHBondContact OD1-NH2 3.13Å; D392-R415 WeakPolarHBondContact OD2-CB 3.17Å; D392-R415 IonicContact OD2-CZ 3.39Å; D392-R415 IonicContact OD2-NE 2.67Å; D392-R415 PolarHBondContact OD2-NE 3.45Å; D392-R415 IonicContact OD2-NH2 3.56Å; S412-R415 PolarHBondContact O-N 3.31Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 2.93Å
416V95.1Very high84.4Confident0 Ų058.6 Ų58.60%033%0.328CS..Hα-helixtrans-111.53-174.9-66.60000113.9I388 D392 L396 L413 S414 S418 L419I388-V416 HydrophobicContact CB-CG1 4.02Å; I388-V416 HydrophobicContact CG2-CG1 3.83Å; D392-V416 HydrophobicContact CB-CG1 3.51Å; D392-V416 HydrophobicContact CB-CG2 4.3Å; L396-V416 HydrophobicContact CB-CG2 3.96Å; L413-V416 HydrophobicContact CD1-CG2 4.22Å; L413-V416 CarbonylContact O-C 3.6Å; L413-V416 WeakPolarHBondContact O-CG2 3.13Å; L413-V416 PolarHBondContact O-N 3.27Å; L413-V416 VanDerWaalsContact O-N 3.14Å; S414-V416 VanDerWaalsContact C-N 3.31Å; S414-V416 PolarHBondContact O-N 3.31Å; V416-S418 PolarHBondContact O-N 3.24Å; V416-S418 VanDerWaalsContact O-N 3.13Å; V416-L419 HydrophobicContact CB-CD1 4.26Å; V416-L419 WeakPolarHBondContact O-CB 3.5Å; V416-L419 PolarHBondContact O-N 3.06Å
417M91.2Very high81.8Confident75 Ų7560.1 Ų60.137%0.36933%0.333SS..G310 helixtrans-59-29179.6-165.567.779.900112.6L413 L419 L420L413-M417 HydrophobicContact CD1-CE 4.43Å; L413-M417 HydrophobicContact CD2-CE 3.78Å; L413-M417 HydrophobicContact CG-CE 3.68Å; L413-M417 HydrophobicContact CG-SD 4.46Å; L413-M417 PolarHBondContact O-N 3.38Å; M417-L419 PolarHBondContact O-N 2.92Å; M417-L420 PolarHBondContact O-N 3.26Å; M417-L420 VanDerWaalsContact O-N 3.1Å; M417-L420 HydrophobicContact SD-CD1 3.91Å
418S89.9Confident79.3Confident57 Ų5765 Ų6540%0.39936%0.362SS..G310 helixtrans-66.8-17.2178.263.40000114.2Q383 V416Q383-S418 PolarHBondContact NE2-O 3.01Å; V416-S418 PolarHBondContact O-N 3.24Å; V416-S418 VanDerWaalsContact O-N 3.13Å
419L92.3Very high76.6Confident0 Ų067.7 Ų67.70%036%0.357CS..G310 helixtrans-79.1-25.3173.7-74.669.8000111.6V65 V67 F367 F374 R375 I385 I388 L396 V416 M417V65-L419 HydrophobicContact CG2-CD2 4.4Å; V67-L419 HydrophobicContact CG2-CD2 4.4Å; F367-L419 HydrophobicContact CE1-CD2 3.9Å; F367-L419 HydrophobicContact CZ-CD2 4.13Å; F374-L419 WeakPolarHBondContact CA-O 3.26Å; F374-L419 HydrophobicContact CD1-CB 4.34Å; F374-L419 HydrophobicContact CE1-CB 4.5Å; R375-L419 PolarHBondContact N-O 3.35Å; I385-L419 HydrophobicContact CD1-CD1 4.17Å; I385-L419 HydrophobicContact CG1-CD1 3.92Å; I385-L419 HydrophobicContact CG1-CG 4.16Å; I385-L419 HydrophobicContact CG2-CD1 4.22Å; I388-L419 HydrophobicContact CG2-CD1 4.23Å; L396-L419 HydrophobicContact CD2-CD2 4.01Å; V416-L419 HydrophobicContact CB-CD1 4.26Å; V416-L419 WeakPolarHBondContact O-CB 3.5Å; V416-L419 PolarHBondContact O-N 3.06Å; M417-L419 PolarHBondContact O-N 2.92Å
420L91Very high74.1Confident5 Ų571.3 Ų71.33%0.02637%0.371CS..BIsolated β-bridgetrans-83.1146.8-175.6-65.6175000111.5G373 L396 A399 L400 L413 M417G373-L420 WeakPolarHBondContact O-CA 3.35Å; L396-L420 HydrophobicContact CD1-CD1 4.47Å; L396-L420 HydrophobicContact CD1-CD2 3.67Å; L396-L420 HydrophobicContact CD1-CG 3.97Å; A399-L420 HydrophobicContact CB-CD1 3.75Å; L400-L420 HydrophobicContact CD2-CD2 3.51Å; L400-L420 HydrophobicContact CG-CD2 3.89Å; L413-L420 HydrophobicContact CD1-CD1 4.14Å; M417-L420 PolarHBondContact O-N 3.26Å; M417-L420 VanDerWaalsContact O-N 3.1Å; M417-L420 HydrophobicContact SD-CD1 3.91Å
421R84.5Confident71.8Confident127 Ų12772 Ų7248%0.47938%0.381SS..  trans-64142.3165.5-16217381.6-179.95.4108.2P372 G373 S423 S424P372-R421 PolarHBondContact O-NH1 3.05Å; G373-R421 PolarHBondContact O-N 3.11Å; R421-S423 PolarHBondContact O-N 3.03Å; R421-S424 WeakPolarHBondContact O-CB 3.39Å; R421-S424 PolarHBondContact O-N 3.29Å
422H64.9Low69.5Low152 Ų15276 Ų7670%0.70440%0.399SS*.THydrogen-bonded Turntrans-50.1-31.6-176.3-99.762.3000113.9I426H422-I426 VanDerWaalsContact O-CD1 3.29Å; H422-I426 WeakPolarHBondContact O-CD1 3.3Å; H422-I426 WeakPolarHBondContact O-CG1 3.4Å
423S53.8Low68Low88 Ų8882.7 Ų82.762%0.61542%0.424SS*.THydrogen-bonded Turntrans-80.4-13.8177.2-43.50000114.9R421R421-S423 PolarHBondContact O-N 3.03Å
424S52.9Low66.2Low22 Ų2285.5 Ų85.515%0.15444%0.439CS..THydrogen-bonded Turntrans-92.5-22.6-173.5-53.40000112.9G373 R421G373-S424 WeakPolarHBondContact CA-OG 3.48Å; G373-S424 PolarHBondContact O-OG 2.88Å; R421-S424 WeakPolarHBondContact O-CB 3.39Å; R421-S424 PolarHBondContact O-N 3.29Å
425G46Very low64.8Low15 Ų1583.4 Ų83.416%0.15542%0.421CS..SBendtrans-96.9-8.1176.100000114.8
426I41.9Very low63.5Low92 Ų9284.5 Ų84.547%0.47243%0.432SS..  trans-121.172.8-169.2-49.9175.8000109.6H422 Y429H422-I426 VanDerWaalsContact O-CD1 3.29Å; H422-I426 WeakPolarHBondContact O-CD1 3.3Å; H422-I426 WeakPolarHBondContact O-CG1 3.4Å; I426-Y429 HydrophobicContact CG2-CD2 4.25Å
427N42Very low62.5Low90 Ų9090.2 Ų90.248%0.48146%0.457SS..  trans-111.837.4156.2-108.2-24.7000110.2
428V44Very low61.8Low108 Ų10890.4 Ų90.466%0.65546%0.463SS*.SBendtrans-95.6-3177.7-174.20000112.3
429Y41.4Very low61.2Low177 Ų17790.3 Ų90.369%0.69446%0.46SS*.SBendtrans-120.34-177.8-74.4-71.6000116I426 D435I426-Y429 HydrophobicContact CG2-CD2 4.25Å; Y429-D435 VanDerWaalsContact O-OD2 3.05Å
430F45.4Very low60.6Low124 Ų12492.1 Ų92.154%0.54448%0.479SS..SBendtrans-133.618.7173-72.3-78.6000112.9D435 V439F430-D435 VanDerWaalsContact CA-OD2 3.31Å; F430-D435 WeakPolarHBondContact CA-OD2 3.26Å; F430-D435 HydrophobicContact CB-CB 4.38Å; F430-D435 HydrophobicContact CD1-CB 3.76Å; F430-D435 HydrophobicContact CG-CB 4.45Å; F430-V439 HydrophobicContact CD1-CG2 4.42Å; F430-V439 HydrophobicContact CE1-CG2 4.04Å
431S48.7Very low60.1Low78 Ų7894.6 Ų94.655%0.54549%0.494SS..  trans-86.2-17.4-176.457.30000113.7
432D50.8Low60Low100 Ų10092.4 Ų92.454%0.53549%0.494SS..SBendtrans-82.6139.8179.3-76-9.7000109.7L434 D435 M436D432-L434 HydrophobicContact CB-CB 4.31Å; D432-L434 PolarHBondContact O-N 3.31Å; D432-D435 PolarHBondContact N-OD2 3.23Å; D432-D435 PolarHBondContact O-N 3.48Å; D432-M436 PolarHBondContact O-N 3.16Å
433F64.5Low60.9Low170 Ų17088.1 Ų88.175%0.74648%0.476SS*.Hα-helixtrans-47.1-31.2170.4174.8-95.1000111.7F437F433-F437 HydrophobicContact CE1-CB 4.45Å; F433-F437 WeakPolarHBondContact O-CB 3.5Å; F433-F437 PolarHBondContact O-N 3.41Å
434L58.4Low62.3Low115 Ų11589.2 Ų89.260%0.60247%0.474SS*.Hα-helixtrans-62.5-37.6175-72.8164.9000113.5D432 F437 T438D432-L434 HydrophobicContact CB-CB 4.31Å; D432-L434 PolarHBondContact O-N 3.31Å; L434-F437 PolarHBondContact O-N 3.37Å; L434-T438 VanDerWaalsContact O-CB 3.29Å; L434-T438 WeakPolarHBondContact O-CB 3.21Å; L434-T438 PolarHBondContact O-N 2.94Å; L434-T438 PolarHBondContact O-OG1 3.17Å
435D65.9Low63.7Low47 Ų4791.2 Ų91.225%0.25149%0.488SS..Hα-helixtrans-73.4-44.3-179.8-59.2-39.3000110.6Y429 F430 D432 F437 T438 V439Y429-D435 VanDerWaalsContact O-OD2 3.05Å; F430-D435 VanDerWaalsContact CA-OD2 3.31Å; F430-D435 WeakPolarHBondContact CA-OD2 3.26Å; F430-D435 HydrophobicContact CB-CB 4.38Å; F430-D435 HydrophobicContact CD1-CB 3.76Å; F430-D435 HydrophobicContact CG-CB 4.45Å; D432-D435 PolarHBondContact N-OD2 3.23Å; D432-D435 PolarHBondContact O-N 3.48Å; D435-F437 VanDerWaalsContact C-N 3.33Å; D435-F437 PolarHBondContact O-N 3.16Å; D435-T438 PolarHBondContact O-N 3.46Å; D435-V439 WeakPolarHBondContact O-CG2 3.25Å; D435-V439 PolarHBondContact O-N 3.4Å
436M67.9Low65.5Low132 Ų13294 Ų9465%0.6550%0.504SS*.Hα-helixtrans-61.6-41.4171.9-99.5-157.875.600111.9D432 T438 V439 G440D432-M436 PolarHBondContact O-N 3.16Å; M436-T438 VanDerWaalsContact C-N 3.35Å; M436-V439 PolarHBondContact O-N 3.15Å; M436-G440 PolarHBondContact O-N 2.88Å
437F74.6Confident67.5Low121 Ų12192.8 Ų92.853%0.53150%0.501SS..Hα-helixtrans-62.7-43174.8-179.4-98.9000110.9F433 L434 D435 G440 V441F433-F437 HydrophobicContact CE1-CB 4.45Å; F433-F437 WeakPolarHBondContact O-CB 3.5Å; F433-F437 PolarHBondContact O-N 3.41Å; L434-F437 PolarHBondContact O-N 3.37Å; D435-F437 VanDerWaalsContact C-N 3.33Å; D435-F437 PolarHBondContact O-N 3.16Å; F437-G440 PolarHBondContact O-N 3.48Å; F437-V441 HydrophobicContact CD1-CG2 3.97Å; F437-V441 HydrophobicContact CD2-CG2 4.37Å; F437-V441 HydrophobicContact CE1-CG2 3.61Å; F437-V441 HydrophobicContact CE2-CG2 4.04Å; F437-V441 HydrophobicContact CG-CG2 4.35Å; F437-V441 HydrophobicContact CZ-CG2 3.64Å; F437-V441 WeakPolarHBondContact O-CB 3.46Å; F437-V441 VanDerWaalsContact O-CG2 3.24Å; F437-V441 WeakPolarHBondContact O-CG2 3.16Å; F437-V441 PolarHBondContact O-N 2.9Å
438T76.4Confident69.5Low79 Ų7991.4 Ų91.449%0.48550%0.496SS..Hα-helixtrans-63.8-46.9178.2-58.20000111.1L434 D435 M436 G440 V441 V442L434-T438 VanDerWaalsContact O-CB 3.29Å; L434-T438 WeakPolarHBondContact O-CB 3.21Å; L434-T438 PolarHBondContact O-N 2.94Å; L434-T438 PolarHBondContact O-OG1 3.17Å; D435-T438 PolarHBondContact O-N 3.46Å; M436-T438 VanDerWaalsContact C-N 3.35Å; T438-G440 VanDerWaalsContact C-N 3.33Å; T438-G440 PolarHBondContact O-N 3.37Å; T438-V441 PolarHBondContact O-N 2.71Å; T438-V442 HydrophobicContact CG2-CG2 4.48Å; T438-V442 WeakPolarHBondContact O-CB 3.45Å; T438-V442 VanDerWaalsContact O-CG2 3.23Å; T438-V442 WeakPolarHBondContact O-CG2 3.43Å; T438-V442 PolarHBondContact O-N 3.09Å
439V78.4Confident71.4Confident55 Ų5590.8 Ų90.833%0.33349%0.492SS..Hα-helixtrans-61.2-43.1174.5174.30000110.8F430 D435 M436 V442 L443F430-V439 HydrophobicContact CD1-CG2 4.42Å; F430-V439 HydrophobicContact CE1-CG2 4.04Å; D435-V439 WeakPolarHBondContact O-CG2 3.25Å; D435-V439 PolarHBondContact O-N 3.4Å; M436-V439 PolarHBondContact O-N 3.15Å; V439-V442 PolarHBondContact O-N 3.1Å; V439-L443 HydrophobicContact CG1-CD1 3.89Å; V439-L443 HydrophobicContact CG1-CG 4.38Å; V439-L443 WeakPolarHBondContact O-CB 3.37Å; V439-L443 VanDerWaalsContact O-CG 3.27Å; V439-L443 WeakPolarHBondContact O-CG 3.34Å; V439-L443 PolarHBondContact O-N 3.43Å
440G79.6Confident73.4Confident38 Ų3884.7 Ų84.739%0.39248%0.475SS..Hα-helixtrans-61.6-43.7176.600000113.1M436 F437 T438 L443 L444M436-G440 PolarHBondContact O-N 2.88Å; F437-G440 PolarHBondContact O-N 3.48Å; T438-G440 VanDerWaalsContact C-N 3.33Å; T438-G440 PolarHBondContact O-N 3.37Å; G440-L443 PolarHBondContact O-N 3.4Å; G440-L444 VanDerWaalsContact O-CB 3.32Å; G440-L444 WeakPolarHBondContact O-CB 3.39Å; G440-L444 PolarHBondContact O-N 2.77Å
441V80.9Confident75.2Confident57 Ų5784 Ų8435%0.34548%0.475SS..Hα-helixtrans-65.4-45.4175.6169.40000110.7F437 T438 L443 L444 C445F437-V441 HydrophobicContact CD1-CG2 3.97Å; F437-V441 HydrophobicContact CD2-CG2 4.37Å; F437-V441 HydrophobicContact CE1-CG2 3.61Å; F437-V441 HydrophobicContact CE2-CG2 4.04Å; F437-V441 HydrophobicContact CG-CG2 4.35Å; F437-V441 HydrophobicContact CZ-CG2 3.64Å; F437-V441 WeakPolarHBondContact O-CB 3.46Å; F437-V441 VanDerWaalsContact O-CG2 3.24Å; F437-V441 WeakPolarHBondContact O-CG2 3.16Å; F437-V441 PolarHBondContact O-N 2.9Å; T438-V441 PolarHBondContact O-N 2.71Å; V441-L443 PolarHBondContact O-N 2.7Å; V441-L444 PolarHBondContact O-N 3.12Å; V441-C445 WeakPolarHBondContact O-CB 3.45Å; V441-C445 PolarHBondContact O-N 3.02Å; V441-C445 PolarHBondContact O-SG 2.89Å
442V81.8Confident76.9Confident80 Ų8085.1 Ų85.149%0.48547%0.474SS..Hα-helixtrans-60.7-45.3177.2170.90000110.7T438 V439 C445 C446T438-V442 HydrophobicContact CG2-CG2 4.48Å; T438-V442 WeakPolarHBondContact O-CB 3.45Å; T438-V442 VanDerWaalsContact O-CG2 3.23Å; T438-V442 WeakPolarHBondContact O-CG2 3.43Å; T438-V442 PolarHBondContact O-N 3.09Å; V439-V442 PolarHBondContact O-N 3.1Å; V442-C445 PolarHBondContact O-N 3.07Å; V442-C446 WeakPolarHBondContact O-CB 3.33Å; V442-C446 PolarHBondContact O-N 3.42Å; V442-C446 PolarHBondContact O-SG 3.44Å
443L83.6Confident78.4Confident62 Ų6288.1 Ų88.133%0.32548%0.479SS..Hα-helixtrans-63.5-41.3176.2-72.3171.4000112.1L15 L18 V439 G440 V441 C446 T447L15-L443 HydrophobicContact CD1-CD2 4.09Å; L18-L443 HydrophobicContact CD2-CD2 4.21Å; V439-L443 HydrophobicContact CG1-CD1 3.89Å; V439-L443 HydrophobicContact CG1-CG 4.38Å; V439-L443 WeakPolarHBondContact O-CB 3.37Å; V439-L443 VanDerWaalsContact O-CG 3.27Å; V439-L443 WeakPolarHBondContact O-CG 3.34Å; V439-L443 PolarHBondContact O-N 3.43Å; G440-L443 PolarHBondContact O-N 3.4Å; V441-L443 PolarHBondContact O-N 2.7Å; L443-C446 PolarHBondContact O-N 2.6Å; L443-T447 WeakPolarHBondContact O-CB 3.27Å; L443-T447 VanDerWaalsContact O-CG2 3.26Å; L443-T447 WeakPolarHBondContact O-CG2 3.3Å; L443-T447 PolarHBondContact O-N 2.77Å; L443-T447 PolarHBondContact O-OG1 2.87Å
444L84.2Confident79Confident111 Ų11182.2 Ų82.258%0.58146%0.455SS*.Hα-helixtrans-64.1-42.7175.1-17266.9000111.5G440 V441 T447 T448G440-L444 VanDerWaalsContact O-CB 3.32Å; G440-L444 WeakPolarHBondContact O-CB 3.39Å; G440-L444 PolarHBondContact O-N 2.77Å; V441-L444 PolarHBondContact O-N 3.12Å; L444-T447 WeakPolarHBondContact CA-OG1 3.49Å; L444-T447 PolarHBondContact O-N 2.96Å; L444-T447 PolarHBondContact O-OG1 2.82Å; L444-T448 HydrophobicContact CD1-CG2 4.41Å; L444-T448 HydrophobicContact CG-CG2 4.44Å; L444-T448 WeakPolarHBondContact O-CB 3.28Å; L444-T448 WeakPolarHBondContact O-CG2 3.39Å; L444-T448 PolarHBondContact O-N 3.08Å; L444-T448 PolarHBondContact O-OG1 3.46Å
445C82Confident80.1Confident65 Ų6581.3 Ų81.344%0.43945%0.449SS..Hα-helixtrans-62.5-45.7174-71.30000111.8V441 V442 T447 T448 V449V441-C445 WeakPolarHBondContact O-CB 3.45Å; V441-C445 PolarHBondContact O-N 3.02Å; V441-C445 PolarHBondContact O-SG 2.89Å; V442-C445 PolarHBondContact O-N 3.07Å; C445-T447 PolarHBondContact O-N 3.19Å; C445-T448 VanDerWaalsContact CA-OG1 3.31Å; C445-T448 WeakPolarHBondContact CA-OG1 3.31Å; C445-T448 PolarHBondContact O-N 3.38Å; C445-T448 PolarHBondContact O-OG1 2.9Å; C445-V449 WeakPolarHBondContact O-CB 3.32Å; C445-V449 WeakPolarHBondContact O-CG2 3.31Å; C445-V449 PolarHBondContact O-N 2.59Å
446C82.9Confident80.8Confident72 Ų7282.2 Ų82.249%0.48646%0.459SS..Hα-helixtrans-63.8-41.4178.2-70.70000112.3V442 L443 S450V442-C446 WeakPolarHBondContact O-CB 3.33Å; V442-C446 PolarHBondContact O-N 3.42Å; V442-C446 PolarHBondContact O-SG 3.44Å; L443-C446 PolarHBondContact O-N 2.6Å; C446-S450 WeakPolarHBondContact O-CB 3.35Å; C446-S450 PolarHBondContact O-N 3.09Å; C446-S450 PolarHBondContact O-OG 3.36Å
447T84.7Confident81.3Confident67 Ų6777.3 Ų77.341%0.41144%0.436SS..Hα-helixtrans-69.6-42.8178.450.80000111.7L443 L444 C445 S450 M451L443-T447 WeakPolarHBondContact O-CB 3.27Å; L443-T447 VanDerWaalsContact O-CG2 3.26Å; L443-T447 WeakPolarHBondContact O-CG2 3.3Å; L443-T447 PolarHBondContact O-N 2.77Å; L443-T447 PolarHBondContact O-OG1 2.87Å; L444-T447 WeakPolarHBondContact CA-OG1 3.49Å; L444-T447 PolarHBondContact O-N 2.96Å; L444-T447 PolarHBondContact O-OG1 2.82Å; C445-T447 PolarHBondContact O-N 3.19Å; T447-S450 PolarHBondContact O-N 3.27Å; T447-M451 WeakPolarHBondContact O-CB 3.07Å; T447-M451 VanDerWaalsContact O-CG 3.28Å; T447-M451 WeakPolarHBondContact O-CG 3.39Å; T447-M451 PolarHBondContact O-N 2.87Å
448T83.9Confident81.4Confident61 Ų6175 Ų7537%0.37443%0.434SS..Hα-helixtrans-64-45.3176500000112.3L444 C445 S450 M451 I452L444-T448 HydrophobicContact CD1-CG2 4.41Å; L444-T448 HydrophobicContact CG-CG2 4.44Å; L444-T448 WeakPolarHBondContact O-CB 3.28Å; L444-T448 WeakPolarHBondContact O-CG2 3.39Å; L444-T448 PolarHBondContact O-N 3.08Å; L444-T448 PolarHBondContact O-OG1 3.46Å; C445-T448 VanDerWaalsContact CA-OG1 3.31Å; C445-T448 WeakPolarHBondContact CA-OG1 3.31Å; C445-T448 PolarHBondContact O-N 3.38Å; C445-T448 PolarHBondContact O-OG1 2.9Å; T448-S450 VanDerWaalsContact C-N 3.3Å; T448-S450 PolarHBondContact O-N 2.93Å; T448-M451 PolarHBondContact O-N 3.36Å; T448-I452 VanDerWaalsContact O-CG1 3.3Å; T448-I452 WeakPolarHBondContact O-CG1 3.36Å; T448-I452 PolarHBondContact O-N 2.97Å
449V84Confident81.6Confident95 Ų9576 Ų7658%0.57644%0.436SS*.Hα-helixtrans-60.3-42174.61710000110.9C445 M451 I452 Y453C445-V449 WeakPolarHBondContact O-CB 3.32Å; C445-V449 WeakPolarHBondContact O-CG2 3.31Å; C445-V449 PolarHBondContact O-N 2.59Å; V449-M451 PolarHBondContact O-N 3.15Å; V449-I452 PolarHBondContact O-N 3.46Å; V449-Y453 WeakPolarHBondContact O-CB 3.35Å; V449-Y453 PolarHBondContact O-N 2.78Å
450S82.9Confident81.5Confident49 Ų4977.1 Ų77.134%0.34345%0.446SS..Hα-helixtrans-62.8-41.6175.5-60.80000112C446 T447 T448 Y453 I454C446-S450 WeakPolarHBondContact O-CB 3.35Å; C446-S450 PolarHBondContact O-N 3.09Å; C446-S450 PolarHBondContact O-OG 3.36Å; T447-S450 PolarHBondContact O-N 3.27Å; T448-S450 VanDerWaalsContact C-N 3.3Å; T448-S450 PolarHBondContact O-N 2.93Å; S450-Y453 PolarHBondContact O-N 3.48Å; S450-I454 WeakPolarHBondContact O-CD1 3.27Å; S450-I454 VanDerWaalsContact O-CG1 3.23Å; S450-I454 WeakPolarHBondContact O-CG1 3.27Å; S450-I454 PolarHBondContact O-N 3.07Å
451M82.7Confident81.2Confident110 Ų11077.9 Ų77.954%0.54245%0.445SS..Hα-helixtrans-67.4-41.7177.2-73.2-65.8-75.900112.5T447 T448 V449 Y453 I454 I455T447-M451 WeakPolarHBondContact O-CB 3.07Å; T447-M451 VanDerWaalsContact O-CG 3.28Å; T447-M451 WeakPolarHBondContact O-CG 3.39Å; T447-M451 PolarHBondContact O-N 2.87Å; T448-M451 PolarHBondContact O-N 3.36Å; V449-M451 PolarHBondContact O-N 3.15Å; M451-Y453 VanDerWaalsContact C-N 3.32Å; M451-Y453 PolarHBondContact O-N 2.99Å; M451-I454 WeakPolarHBondContact O-CB 3.46Å; M451-I454 PolarHBondContact O-N 3.17Å; M451-I454 HydrophobicContact SD-CD1 4.05Å; M451-I455 VanDerWaalsContact O-CG1 3.31Å; M451-I455 WeakPolarHBondContact O-CG1 3.48Å; M451-I455 PolarHBondContact O-N 3.27Å
452I84.6Confident80.9Confident102 Ų10279.4 Ų79.452%0.52346%0.455SS..Hα-helixtrans-60.8-45.8174.5-69.3165.7000109.7T448 V449 I454 I455 C456T448-I452 VanDerWaalsContact O-CG1 3.3Å; T448-I452 WeakPolarHBondContact O-CG1 3.36Å; T448-I452 PolarHBondContact O-N 2.97Å; V449-I452 PolarHBondContact O-N 3.46Å; I452-I454 VanDerWaalsContact C-N 3.33Å; I452-I454 PolarHBondContact O-N 3.25Å; I452-I455 PolarHBondContact O-N 3.09Å; I452-C456 WeakPolarHBondContact O-CB 3.23Å; I452-C456 PolarHBondContact O-N 3.05Å; I452-C456 PolarHBondContact O-SG 2.96Å
453Y83.1Confident80.5Confident162 Ų16284.2 Ų84.264%0.63546%0.464SS*.Hα-helixtrans-58-44.5176.3-175.3-96.3000111.7V449 S450 M451 I455 C456 T457V449-Y453 WeakPolarHBondContact O-CB 3.35Å; V449-Y453 PolarHBondContact O-N 2.78Å; S450-Y453 PolarHBondContact O-N 3.48Å; M451-Y453 VanDerWaalsContact C-N 3.32Å; M451-Y453 PolarHBondContact O-N 2.99Å; Y453-I455 PolarHBondContact O-N 3.47Å; Y453-C456 PolarHBondContact O-N 3.42Å; Y453-T457 HydrophobicContact CD1-CG2 4.16Å; Y453-T457 HydrophobicContact CE1-CG2 3.76Å; Y453-T457 HydrophobicContact CE2-CG2 4.39Å; Y453-T457 WeakPolarHBondContact O-CG2 3.32Å; Y453-T457 PolarHBondContact O-N 2.83Å; Y453-T457 PolarHBondContact O-OG1 3.4Å
454I76.1Confident79.8Confident47 Ų4788.5 Ų88.524%0.24148%0.477CS..Hα-helixtrans-58.6-47.3174.8-69.4162.4000111.6H8 S450 M451 I452 C456 T457 C458H8-I454 VanDerWaalsContact CE1-CD1 3.46Å; H8-I454 WeakPolarHBondContact CE1-CD1 3.29Å; H8-I454 WeakPolarHBondContact CE1-CG1 3.5Å; S450-I454 WeakPolarHBondContact O-CD1 3.27Å; S450-I454 VanDerWaalsContact O-CG1 3.23Å; S450-I454 WeakPolarHBondContact O-CG1 3.27Å; S450-I454 PolarHBondContact O-N 3.07Å; M451-I454 WeakPolarHBondContact O-CB 3.46Å; M451-I454 PolarHBondContact O-N 3.17Å; M451-I454 HydrophobicContact SD-CD1 4.05Å; I452-I454 VanDerWaalsContact C-N 3.33Å; I452-I454 PolarHBondContact O-N 3.25Å; I454-C456 VanDerWaalsContact C-N 3.31Å; I454-C456 PolarHBondContact O-N 2.8Å; I454-T457 PolarHBondContact O-N 2.85Å; I454-T457 PolarHBondContact O-OG1 2.9Å; I454-C458 WeakPolarHBondContact O-CB 3.41Å; I454-C458 PolarHBondContact O-N 2.93Å; I454-C458 PolarHBondContact O-SG 3.37Å
455I81.7Confident78.9Confident95 Ų9588.5 Ų88.549%0.48748%0.477SS..Hα-helixtrans-62.4-44.3-179.4-68.6165.3000109.7M451 I452 Y453 C458 I459M451-I455 VanDerWaalsContact O-CG1 3.31Å; M451-I455 WeakPolarHBondContact O-CG1 3.48Å; M451-I455 PolarHBondContact O-N 3.27Å; I452-I455 PolarHBondContact O-N 3.09Å; Y453-I455 PolarHBondContact O-N 3.47Å; I455-C458 PolarHBondContact O-N 3.16Å; I455-I459 HydrophobicContact CG2-CD1 3.68Å; I455-I459 HydrophobicContact CG2-CG1 4.42Å; I455-I459 WeakPolarHBondContact O-CB 3.36Å; I455-I459 VanDerWaalsContact O-CG1 3.23Å; I455-I459 WeakPolarHBondContact O-CG1 3.49Å; I455-I459 PolarHBondContact O-N 3.43Å
456C81.2Confident78.2Confident66 Ų6695.2 Ų95.245%0.44650%0.495SS..Hα-helixtrans-62.9-41.8178-69.60000113.1I452 Y453 I454 S460I452-C456 WeakPolarHBondContact O-CB 3.23Å; I452-C456 PolarHBondContact O-N 3.05Å; I452-C456 PolarHBondContact O-SG 2.96Å; Y453-C456 PolarHBondContact O-N 3.42Å; I454-C456 VanDerWaalsContact C-N 3.31Å; I454-C456 PolarHBondContact O-N 2.8Å; C456-S460 WeakPolarHBondContact O-CB 3.34Å; C456-S460 PolarHBondContact O-N 2.94Å; C456-S460 PolarHBondContact O-OG 3.14Å
457T79Confident77.7Confident29 Ų2997.2 Ų97.218%0.17850%0.5CS..Hα-helixtrans-70.5-38.6177.956.30000112Y453 I454 S460 S461Y453-T457 HydrophobicContact CD1-CG2 4.16Å; Y453-T457 HydrophobicContact CE1-CG2 3.76Å; Y453-T457 HydrophobicContact CE2-CG2 4.39Å; Y453-T457 WeakPolarHBondContact O-CG2 3.32Å; Y453-T457 PolarHBondContact O-N 2.83Å; Y453-T457 PolarHBondContact O-OG1 3.4Å; I454-T457 PolarHBondContact O-N 2.85Å; I454-T457 PolarHBondContact O-OG1 2.9Å; T457-S460 PolarHBondContact O-N 3.25Å; T457-S461 WeakPolarHBondContact O-CB 3.35Å; T457-S461 PolarHBondContact O-N 3.41Å; T457-S461 PolarHBondContact O-OG 2.68Å
458C76.9Confident77Confident73 Ų73100.2 Ų100.249%0.49351%0.507SS..Hα-helixtrans-61.6-45.8174.3-76.60000112I454 I455 S461 T462I454-C458 WeakPolarHBondContact O-CB 3.41Å; I454-C458 PolarHBondContact O-N 2.93Å; I454-C458 PolarHBondContact O-SG 3.37Å; I455-C458 PolarHBondContact O-N 3.16Å; C458-S461 PolarHBondContact O-N 3.5Å; C458-T462 PolarHBondContact O-N 3.06Å; C458-T462 PolarHBondContact O-OG1 3.24Å
459I79.2Confident75.8Confident101 Ų101101.4 Ų101.452%0.51852%0.516SS..Hα-helixtrans-62.2-43.6175.9-69.1167.2000110.6I455 S461 T462 R463I455-I459 HydrophobicContact CG2-CD1 3.68Å; I455-I459 HydrophobicContact CG2-CG1 4.42Å; I455-I459 WeakPolarHBondContact O-CB 3.36Å; I455-I459 VanDerWaalsContact O-CG1 3.23Å; I455-I459 WeakPolarHBondContact O-CG1 3.49Å; I455-I459 PolarHBondContact O-N 3.43Å; I459-S461 VanDerWaalsContact C-N 3.34Å; I459-S461 PolarHBondContact O-N 2.84Å; I459-T462 WeakPolarHBondContact CA-OG1 3.44Å; I459-T462 PolarHBondContact O-N 2.89Å; I459-T462 PolarHBondContact O-OG1 3.42Å; I459-R463 VanDerWaalsContact O-CB 3.32Å; I459-R463 WeakPolarHBondContact O-CB 3.4Å; I459-R463 PolarHBondContact O-N 3.43Å
460S76.8Confident74.3Confident77 Ų77104 Ų10454%0.53853%0.527SS..Hα-helixtrans-63.6-40.3179.6-57.30000111.9C456 T457 R463 Y464C456-S460 WeakPolarHBondContact O-CB 3.34Å; C456-S460 PolarHBondContact O-N 2.94Å; C456-S460 PolarHBondContact O-OG 3.14Å; T457-S460 PolarHBondContact O-N 3.25Å; S460-R463 PolarHBondContact O-N 2.94Å; S460-Y464 PolarHBondContact O-N 3.39Å
461S74.1Confident72.7Confident55 Ų55109.1 Ų109.139%0.38555%0.551SS.*Hα-helixtrans-69.2-41.9178.3-61.50000112.7T457 C458 I459 Y464 L465T457-S461 WeakPolarHBondContact O-CB 3.35Å; T457-S461 PolarHBondContact O-N 3.41Å; T457-S461 PolarHBondContact O-OG 2.68Å; C458-S461 PolarHBondContact O-N 3.5Å; I459-S461 VanDerWaalsContact C-N 3.34Å; I459-S461 PolarHBondContact O-N 2.84Å; S461-Y464 PolarHBondContact O-N 3.32Å; S461-L465 PolarHBondContact O-N 3.35Å; S461-L465 VanDerWaalsContact O-N 3.1Å
462T73.3Confident70.8Confident89 Ų89109.5 Ų109.555%0.54656%0.559SS.*Hα-helixtrans-65.1-40.2174.425.10000111.5C458 I459 Y464 L465 Y466C458-T462 PolarHBondContact O-N 3.06Å; C458-T462 PolarHBondContact O-OG1 3.24Å; I459-T462 WeakPolarHBondContact CA-OG1 3.44Å; I459-T462 PolarHBondContact O-N 2.89Å; I459-T462 PolarHBondContact O-OG1 3.42Å; T462-Y464 VanDerWaalsContact C-N 3.33Å; T462-Y464 PolarHBondContact O-N 3.22Å; T462-L465 PolarHBondContact O-N 3.23Å; T462-Y466 WeakPolarHBondContact O-CB 3.46Å; T462-Y466 PolarHBondContact O-N 3.48Å
463R73.7Confident68.6Low180 Ų180110.8 Ų110.868%0.67957%0.572SS**Hα-helixtrans-63.4-38175.2-166.1175.8-177.6177.90.8112.1I459 S460 Y466 L467I459-R463 VanDerWaalsContact O-CB 3.32Å; I459-R463 WeakPolarHBondContact O-CB 3.4Å; I459-R463 PolarHBondContact O-N 3.43Å; S460-R463 PolarHBondContact O-N 2.94Å; R463-Y466 PolarHBondContact O-N 2.86Å; R463-L467 HydrophobicContact CG-CD1 4.06Å; R463-L467 WeakPolarHBondContact O-CB 3.26Å; R463-L467 VanDerWaalsContact O-CG 3.31Å; R463-L467 WeakPolarHBondContact O-CG 3.38Å; R463-L467 PolarHBondContact O-N 3.41Å
464Y68.2Low66.4Low153 Ų153110.8 Ų110.860%0.658%0.583SS**Hα-helixtrans-62.4-47.8174.8-174.5-89.8000111.9S460 S461 T462 Y466 L467 F468S460-Y464 PolarHBondContact O-N 3.39Å; S461-Y464 PolarHBondContact O-N 3.32Å; T462-Y464 VanDerWaalsContact C-N 3.33Å; T462-Y464 PolarHBondContact O-N 3.22Å; Y464-Y466 VanDerWaalsContact C-N 3.26Å; Y464-Y466 PolarHBondContact O-N 3.5Å; Y464-L467 PolarHBondContact O-N 3.44Å; Y464-F468 HydrophobicContact CD2-CD2 4.04Å; Y464-F468 HydrophobicContact CD2-CE2 4.33Å; Y464-F468 AromaticContact CE2-CD2 3.88Å; Y464-F468 HydrophobicContact CE2-CD2 3.88Å; Y464-F468 HydrophobicContact CE2-CE2 4.14Å; Y464-F468 HydrophobicContact CG-CD2 4.47Å; Y464-F468 PolarHBondContact O-N 3.3Å
465L66Low64.4Low111 Ų111114.3 Ų114.358%0.58161%0.612SS**Hα-helixtrans-62.6-32.5177-74.6164.8000113S461 T462 F468S461-L465 PolarHBondContact O-N 3.35Å; S461-L465 VanDerWaalsContact O-N 3.1Å; T462-L465 PolarHBondContact O-N 3.23Å; L465-F468 CarbonylContact O-C 3.47Å
466Y67.7Low61.9Low206 Ų206114.5 Ų114.581%0.80862%0.621SS**Hα-helixtrans-75.9-33.8177.7-149.9-89.9000112.7T462 R463 Y464T462-Y466 WeakPolarHBondContact O-CB 3.46Å; T462-Y466 PolarHBondContact O-N 3.48Å; R463-Y466 PolarHBondContact O-N 2.86Å; Y464-Y466 VanDerWaalsContact C-N 3.26Å; Y464-Y466 PolarHBondContact O-N 3.5Å
467L72Confident59.4Low113 Ų113118 Ų11859%0.59264%0.636SS**Hα-helixtrans-79.7-28.3177.9-72.2170.4000112.9R463 Y464R463-L467 HydrophobicContact CG-CD1 4.06Å; R463-L467 WeakPolarHBondContact O-CB 3.26Å; R463-L467 VanDerWaalsContact O-CG 3.31Å; R463-L467 WeakPolarHBondContact O-CG 3.38Å; R463-L467 PolarHBondContact O-N 3.41Å; Y464-L467 PolarHBondContact O-N 3.44Å
468F68.9Low57.1Low130 Ų130125.3 Ų125.357%0.5767%0.667SS**SBendtrans-130.171.2179.7-56.9-78.6000110.7Y464 L465 D470Y464-F468 HydrophobicContact CD2-CD2 4.04Å; Y464-F468 HydrophobicContact CD2-CE2 4.33Å; Y464-F468 AromaticContact CE2-CD2 3.88Å; Y464-F468 HydrophobicContact CE2-CD2 3.88Å; Y464-F468 HydrophobicContact CE2-CE2 4.14Å; Y464-F468 HydrophobicContact CG-CD2 4.47Å; Y464-F468 PolarHBondContact O-N 3.3Å; L465-F468 CarbonylContact O-C 3.47Å; F468-D470 PolarHBondContact O-N 3.44Å
469P60Low54.7Low87 Ų87126 Ų12657%0.56567%0.673SS**  trans-64.613117225.1-30.4000109.6N471P469-N471 PolarHBondContact O-N 3.13Å
470D52.6Low52.3Low148 Ų148127.6 Ų127.679%0.79168%0.683SS**  trans-60.1100.9176.5-81.6-32.2000110.1F468 T472F468-D470 PolarHBondContact O-N 3.44Å; D470-T472 VanDerWaalsContact C-N 3.25Å; D470-T472 PolarHBondContact O-N 3.31Å
471N49Very low49.9Very low158 Ų158132.5 Ų132.585%0.84569%0.694SS**  trans-74.978171.1-88.3-14.8000109.5P469P469-N471 PolarHBondContact O-N 3.13Å
472T42.6Very low47.8Very low118 Ų118140.1 Ų140.172%0.72472%0.721SS**  trans-128.665.7168.661.30000111.1D470D470-T472 VanDerWaalsContact C-N 3.25Å; D470-T472 PolarHBondContact O-N 3.31Å
473T38.9Very low45.5Very low128 Ų128144.8 Ų144.879%0.78573%0.734SS**  trans-143.8132.2154.151.50000109.9
474N35.8Very low43.4Very low163 Ų163144.5 Ų144.587%0.87274%0.74SS**  trans85.280.9167.9-55.8-17.4000118.8
475S34.3Very low41.4Very low121 Ų121146.4 Ų146.485%0.84675%0.747SS**  trans-150107131.8179.70000109.6
476S30.2Very low39.8Very low98 Ų98148.9 Ų148.969%0.68576%0.761SS**  trans-80.1148.416439.20000110
477N28.8Very low38Very low141 Ų141146.8 Ų146.875%0.75476%0.758SS**  trans74.296.4166-56.7-18.1000117.7
478H30.4Very low36.3Very low181 Ų181149.9 Ų149.984%0.83877%0.77SS**  -174.2140.4101-110.4-74.1000112.2
479S26.8Very low35Very low87 Ų87148.3 Ų148.361%0.60877%0.772SS**  trans-52.8130.6165.650.20000113.4
480D28.4Very low34.3Very low135 Ų135149.8 Ų149.872%0.72278%0.775SS**  158.2130.6106.7-99.9-43.4000112.4
481K26.1Very low34Very low181 Ų181148 Ų14879%0.78777%0.765SS**  trans36.8110.2152-66.9172.4-179.2167.10118.7
482F30.6Very low34Very low215 Ų215148.4 Ų148.494%0.94376%0.76SS**  -153.1122.2119.1-108.1-79.5000111.1
483K25.6Very low34.2Very low187 Ų187147.9 Ų147.981%0.81375%0.752SS**  trans-72.7133.8164.7-73.1172172.4176.90108.4
484H29Very low34.8Very low174 Ų174146.7 Ų146.781%0.80674%0.74SS**  -175.9123.1122.6-101.4-58.6000112.6
485Y26.5Very low35.7Very low193 Ų193144.6 Ų144.676%0.75773%0.725SS**  trans6.5124.2146.7-78.7-100.1000118.6
486N31.5Very low36.7Very low162 Ų162146.7 Ų146.787%0.86672%0.715SS**  trans-151.7138.6131.1-102.9-30000112.1
487H31Very low37.8Very low162 Ų162151 Ų15175%0.7572%0.716SS**  trans-57.3132.6-167.2-78.7-92.5000115.1P489H487-P489 VanDerWaalsContact O-CD 3.29Å; H487-P489 WeakPolarHBondContact O-CD 3.09Å
488Q35.2Very low39.3Very low179 Ų179149.7 Ų149.784%0.83671%0.708SS**  trans-97.698151.6-84.8-173.4-20.700109.6
489P42Very low40.7Very low96 Ų96150.3 Ų150.362%0.62370%0.703SS**  trans-93.1110.7155.631.7-19.7000107.3H487H487-P489 VanDerWaalsContact O-CD 3.29Å; H487-P489 WeakPolarHBondContact O-CD 3.09Å
490N45Very low42Very low118 Ų118150.4 Ų150.463%0.63170%0.697SS**SBendtrans165.7-10.2141.7-86.1-34.9000115.1F492 L494N490-F492 PolarHBondContact O-N 3.02Å; N490-L494 PolarHBondContact O-N 3.41Å
491L47.1Very low43.2Very low111 Ų111151.3 Ų151.358%0.58169%0.694SS**Hα-helixtrans-71.1-33.8179.4-158.567000112.7L494 Q495L491-L494 PolarHBondContact O-N 3.21Å; L491-Q495 PolarHBondContact O-N 3.11Å
492F47.8Very low44.9Very low167 Ų167146 Ų14673%0.73268%0.68SS**Hα-helixtrans-69.7-35.5180-160.2-99.9000113.2N490 R496N490-F492 PolarHBondContact O-N 3.02Å; F492-R496 PolarHBondContact O-N 3.4Å
493L48.3Very low46.2Very low107 Ų107141.8 Ų141.856%0.5666%0.663SS**Hα-helixtrans-71.5-34.9176.7-80.6167.4000112.2R496 R497L493-R496 PolarHBondContact O-N 3.16Å; L493-R497 PolarHBondContact O-N 3.06Å
494L49.8Very low47.8Very low102 Ų102138.9 Ų138.953%0.53465%0.652SS.*Hα-helixtrans-69.2-43.8178.8-159.776.7000111.6N490 L491 R496 R497 L498N490-L494 PolarHBondContact O-N 3.41Å; L491-L494 PolarHBondContact O-N 3.21Å; L494-R496 VanDerWaalsContact C-N 3.32Å; L494-R496 PolarHBondContact O-N 2.87Å; L494-R497 PolarHBondContact O-N 3.17Å; L494-L498 WeakPolarHBondContact O-CG 3.13Å; L494-L498 PolarHBondContact O-N 3.3Å
495Q54.9Low48.9Very low120 Ų120136.9 Ų136.956%0.56164%0.643SS**Hα-helixtrans-63-37.6175.7-73.6-178.2-12.700112.1L491 L498 R499L491-Q495 PolarHBondContact O-N 3.11Å; Q495-L498 PolarHBondContact O-N 2.79Å; Q495-R499 PolarHBondContact O-N 3.08Å
496R56.2Low50.6Low164 Ų164134.3 Ų134.362%0.61964%0.638SS**Hα-helixtrans-67.6-39.1176.1-158.4176.3-175.6-176.51.6112.4F492 L493 L494 N500F492-R496 PolarHBondContact O-N 3.4Å; L493-R496 PolarHBondContact O-N 3.16Å; L494-R496 VanDerWaalsContact C-N 3.32Å; L494-R496 PolarHBondContact O-N 2.87Å; R496-N500 PolarHBondContact O-N 3.06Å; R496-N500 PolarHBondContact O-OD1 3.3Å
497R53Low52.1Low190 Ų190133.2 Ų133.272%0.71763%0.625SS**Hα-helixtrans-66-39.5175.2-81-176.6175.1177.6-0.3112.8L493 L494 N500 K501L493-R497 PolarHBondContact O-N 3.06Å; L494-R497 PolarHBondContact O-N 3.17Å; R497-N500 PolarHBondContact O-N 2.66Å; R497-K501 PolarHBondContact O-N 3.08Å
498L59.7Low53Low113 Ų113130.4 Ų130.459%0.59261%0.614SS**Hα-helixtrans-68-40.5177.3-69.9172.1000112L494 Q495 K501 S502L494-L498 WeakPolarHBondContact O-CG 3.13Å; L494-L498 PolarHBondContact O-N 3.3Å; Q495-L498 PolarHBondContact O-N 2.79Å; L498-K501 PolarHBondContact O-N 3.29Å; L498-S502 PolarHBondContact O-N 2.89Å
499R59.6Low54Low193 Ų193125.7 Ų125.773%0.72860%0.595SS**Hα-helixtrans-61.4-43.6172.6-111.2-177.9-173.6-179.62.8112.4Q495 S502 Q503Q495-R499 PolarHBondContact O-N 3.08Å; R499-S502 PolarHBondContact O-N 3Å; R499-Q503 PolarHBondContact O-N 2.75Å
500N55.5Low54.9Low89 Ų89123.8 Ų123.848%0.47658%0.583SS.*Hα-helixtrans-65.7-39.2178.6-73.71.6000112.1R496 R497 Q503 H504R496-N500 PolarHBondContact O-N 3.06Å; R496-N500 PolarHBondContact O-OD1 3.3Å; R497-N500 PolarHBondContact O-N 2.66Å; N500-Q503 PolarHBondContact O-N 2.83Å; N500-H504 WeakPolarHBondContact O-CB 3.39Å; N500-H504 PolarHBondContact O-N 3.07Å
501K53.5Low55.5Low154 Ų154122.3 Ų122.367%0.6758%0.575SS**Hα-helixtrans-62.6-44.9174.1-92-171.3173.2-174.80112.2R497 L498 Q503 H504 Q505R497-K501 PolarHBondContact O-N 3.08Å; L498-K501 PolarHBondContact O-N 3.29Å; K501-Q503 PolarHBondContact O-N 2.77Å; K501-H504 PolarHBondContact O-N 2.7Å; K501-Q505 WeakPolarHBondContact O-CB 3.36Å; K501-Q505 PolarHBondContact O-N 3.44Å
502S60.4Low55.6Low69 Ų69124 Ų12448%0.48358%0.578SS.*Hα-helixtrans-59.1-45.6176165.10000112L498 R499 H504 Q505 H506L498-S502 PolarHBondContact O-N 2.89Å; R499-S502 PolarHBondContact O-N 3Å; S502-H504 PolarHBondContact O-N 2.85Å; S502-Q505 PolarHBondContact O-N 2.89Å; S502-H506 PolarHBondContact O-N 2.81Å
503Q58.9Low56Low127 Ų127124 Ų12459%0.59358%0.577SS**Hα-helixtrans-64.8-39.4176.6-75.5-176.1-16.600112.4R499 N500 K501 H506 K507R499-Q503 PolarHBondContact O-N 2.75Å; N500-Q503 PolarHBondContact O-N 2.83Å; K501-Q503 PolarHBondContact O-N 2.77Å; Q503-H506 PolarHBondContact O-N 3.23Å; Q503-K507 WeakPolarHBondContact O-CB 3.33Å; Q503-K507 PolarHBondContact O-N 2.82Å
504H58.9Low56.5Low126 Ų126124.5 Ų124.558%0.58358%0.577SS**Hα-helixtrans-67.7-37.1178.5-137.2-49.3000112.4N500 K501 S502 K507 M508N500-H504 WeakPolarHBondContact O-CB 3.39Å; N500-H504 PolarHBondContact O-N 3.07Å; K501-H504 PolarHBondContact O-N 2.7Å; S502-H504 PolarHBondContact O-N 2.85Å; H504-K507 PolarHBondContact O-N 3.1Å; H504-M508 PolarHBondContact O-N 3.35Å
505Q51.4Low56.7Low132 Ų132122.9 Ų122.962%0.61757%0.574SS**Hα-helixtrans-67.6-41.9175.5-158.9114.3300111.2K501 S502 M508 N509K501-Q505 WeakPolarHBondContact O-CB 3.36Å; K501-Q505 PolarHBondContact O-N 3.44Å; S502-Q505 PolarHBondContact O-N 2.89Å; Q505-M508 PolarHBondContact O-N 2.94Å; Q505-N509 WeakPolarHBondContact O-CB 3.49Å; Q505-N509 VanDerWaalsContact O-CG 3.29Å; Q505-N509 PolarHBondContact O-N 3.18Å
506H62.2Low56.6Low140 Ų140124.4 Ų124.465%0.64858%0.579SS**Hα-helixtrans-62-41.6173.5-99.8-69.7000112.3S502 Q503 N509 S510S502-H506 PolarHBondContact O-N 2.81Å; Q503-H506 PolarHBondContact O-N 3.23Å; H506-N509 PolarHBondContact O-N 3.41Å; H506-S510 PolarHBondContact O-N 3.05Å
507K63.6Low56.8Low138 Ų138123 Ų12360%0.658%0.578SS**Hα-helixtrans-66.6-40.7176.6-166.7175-177.1179.20112.4Q503 H504 N509 S510 L511Q503-K507 WeakPolarHBondContact O-CB 3.33Å; Q503-K507 PolarHBondContact O-N 2.82Å; H504-K507 PolarHBondContact O-N 3.1Å; K507-N509 VanDerWaalsContact C-N 3.35Å; K507-S510 PolarHBondContact O-N 3.09Å; K507-S510 PolarHBondContact O-OG 3.1Å; K507-S510 VanDerWaalsContact O-OG 3.08Å; K507-L511 HydrophobicContact CG-CD1 4.37Å; K507-L511 WeakPolarHBondContact O-CB 3.43Å; K507-L511 WeakPolarHBondContact O-CG 3.43Å; K507-L511 PolarHBondContact O-N 3.42Å
508M49.7Very low56.7Low103 Ų103120.8 Ų120.851%0.50758%0.575SS.*Hα-helixtrans-64.7-38.8174.2-84.9-67.8-168.200112.2H504 Q505 L511 K512H504-M508 PolarHBondContact O-N 3.35Å; Q505-M508 PolarHBondContact O-N 2.94Å; M508-L511 PolarHBondContact O-N 2.94Å; M508-K512 WeakPolarHBondContact O-CB 3.47Å; M508-K512 WeakPolarHBondContact O-CG 3.36Å; M508-K512 PolarHBondContact O-N 3.12Å
509N56.7Low56.4Low81 Ų81119.1 Ų119.143%0.43357%0.57SS.*Hα-helixtrans-69.6-33.2176.1-73-13.5000112.3Q505 H506 K507 K513Q505-N509 WeakPolarHBondContact O-CB 3.49Å; Q505-N509 VanDerWaalsContact O-CG 3.29Å; Q505-N509 PolarHBondContact O-N 3.18Å; H506-N509 PolarHBondContact O-N 3.41Å; K507-N509 VanDerWaalsContact C-N 3.35Å; N509-K513 WeakPolarHBondContact O-CG 3.14Å; N509-K513 PolarHBondContact O-N 2.85Å; N509-K513 VanDerWaalsContact O-N 3.11Å
510S61.1Low56.2Low55 Ų55113.4 Ų113.439%0.38556%0.557SS.*Hα-helixtrans-70-43173.484.80000111.6H506 K507 K512 K513 E514H506-S510 PolarHBondContact O-N 3.05Å; K507-S510 PolarHBondContact O-N 3.09Å; K507-S510 PolarHBondContact O-OG 3.1Å; K507-S510 VanDerWaalsContact O-OG 3.08Å; S510-K512 VanDerWaalsContact C-N 3.34Å; S510-K512 PolarHBondContact O-N 2.95Å; S510-K513 PolarHBondContact O-N 2.8Å; S510-K513 VanDerWaalsContact O-N 3.12Å; S510-E514 PolarHBondContact O-N 3.06Å
511L56.8Low56.2Low87 Ų87112.7 Ų112.746%0.45555%0.553SS.*Hα-helixtrans-62.2-39.1176-73.6167.8000112.1K507 M508 E514 S515K507-L511 HydrophobicContact CG-CD1 4.37Å; K507-L511 WeakPolarHBondContact O-CB 3.43Å; K507-L511 WeakPolarHBondContact O-CG 3.43Å; K507-L511 PolarHBondContact O-N 3.42Å; M508-L511 PolarHBondContact O-N 2.94Å; L511-E514 PolarHBondContact O-N 3.5Å; L511-S515 VanDerWaalsContact O-CB 3.3Å; L511-S515 WeakPolarHBondContact O-CB 3.42Å; L511-S515 PolarHBondContact O-N 2.92Å
512K50Low56.1Low147 Ų147114.5 Ų114.564%0.63956%0.556SS**Hα-helixtrans-64-40.1172.7-78.4-176.2177.6-174.30112.2M508 S510 F516M508-K512 WeakPolarHBondContact O-CB 3.47Å; M508-K512 WeakPolarHBondContact O-CG 3.36Å; M508-K512 PolarHBondContact O-N 3.12Å; S510-K512 VanDerWaalsContact C-N 3.34Å; S510-K512 PolarHBondContact O-N 2.95Å; K512-F516 WeakPolarHBondContact O-CB 3.06Å; K512-F516 PolarHBondContact O-N 2.85Å
513K56.6Low55.4Low167 Ų167116.8 Ų116.873%0.72656%0.559SS**Hα-helixtrans-67.2-40.7175.7-79.2-176.8176.5-1740112.2N509 S510 F516 K517N509-K513 WeakPolarHBondContact O-CG 3.14Å; N509-K513 PolarHBondContact O-N 2.85Å; N509-K513 VanDerWaalsContact O-N 3.11Å; S510-K513 PolarHBondContact O-N 2.8Å; S510-K513 VanDerWaalsContact O-N 3.12Å; K513-F516 PolarHBondContact O-N 3.16Å; K513-K517 WeakPolarHBondContact O-CB 3.18Å; K513-K517 PolarHBondContact O-N 3.35Å
514E58.2Low55.2Low117 Ų117118.9 Ų118.955%0.54756%0.561SS.*Hα-helixtrans-66.2-43.8175.3-79.3179.716300112S510 L511 K517 Q518S510-E514 PolarHBondContact O-N 3.06Å; L511-E514 PolarHBondContact O-N 3.5Å; E514-K517 PolarHBondContact O-N 2.7Å; E514-Q518 WeakPolarHBondContact O-CG 3.36Å; E514-Q518 PolarHBondContact O-N 2.94Å
515S54Low54.8Low69 Ų69118.4 Ų118.448%0.48356%0.562SS.*Hα-helixtrans-60.8-44.7174.4166.50000111.7L511 K517 Q518 T519L511-S515 VanDerWaalsContact O-CB 3.3Å; L511-S515 WeakPolarHBondContact O-CB 3.42Å; L511-S515 PolarHBondContact O-N 2.92Å; S515-K517 VanDerWaalsContact C-N 3.34Å; S515-K517 PolarHBondContact O-N 3.48Å; S515-Q518 PolarHBondContact O-N 3.34Å; S515-T519 PolarHBondContact O-N 2.85Å; S515-T519 PolarHBondContact O-OG1 3.27Å
516F52.5Low54.5Low151 Ų151117.1 Ų117.166%0.66256%0.559SS**Hα-helixtrans-61.3-44.9176.3-170.8-98.6000111.2K512 K513 T519 T520K512-F516 WeakPolarHBondContact O-CB 3.06Å; K512-F516 PolarHBondContact O-N 2.85Å; K513-F516 PolarHBondContact O-N 3.16Å; F516-T519 PolarHBondContact O-N 2.88Å; F516-T520 PolarHBondContact O-N 3.21Å; F516-T520 PolarHBondContact O-OG1 2.63Å
517K59.7Low53.7Low136 Ų136114.3 Ų114.359%0.59155%0.549SS*.Hα-helixtrans-62.8-44.5178.3-160.1178.7-177.2-171.90112.3K513 E514 S515 T519 T520 D521K513-K517 WeakPolarHBondContact O-CB 3.18Å; K513-K517 PolarHBondContact O-N 3.35Å; E514-K517 PolarHBondContact O-N 2.7Å; S515-K517 VanDerWaalsContact C-N 3.34Å; S515-K517 PolarHBondContact O-N 3.48Å; K517-T519 VanDerWaalsContact C-N 3.33Å; K517-T519 PolarHBondContact O-N 3.25Å; K517-T520 PolarHBondContact O-N 3.1Å; K517-T520 VanDerWaalsContact O-N 3.11Å; K517-T520 PolarHBondContact O-OG1 2.8Å; K517-D521 PolarHBondContact O-N 3.34Å
518Q52.2Low53Low142 Ų142111.7 Ų111.766%0.66454%0.541SS*.Hα-helixtrans-59.6-41.6174.8-78.9-177.8-5.900112.4E514 S515 T520 D521 R522E514-Q518 WeakPolarHBondContact O-CG 3.36Å; E514-Q518 PolarHBondContact O-N 2.94Å; S515-Q518 PolarHBondContact O-N 3.34Å; Q518-T520 VanDerWaalsContact C-N 3.32Å; Q518-T520 PolarHBondContact O-N 3.08Å; Q518-D521 PolarHBondContact O-N 2.85Å; Q518-R522 VanDerWaalsContact O-CB 3.31Å; Q518-R522 WeakPolarHBondContact O-CB 3.46Å; Q518-R522 PolarHBondContact O-N 3.11Å
519T52.7Low52.9Low79 Ų79111.2 Ų111.249%0.48554%0.544SS..Hα-helixtrans-64.7-39.1175.7-44.80000111.1S515 F516 K517 R522 Q523S515-T519 PolarHBondContact O-N 2.85Å; S515-T519 PolarHBondContact O-OG1 3.27Å; F516-T519 PolarHBondContact O-N 2.88Å; K517-T519 VanDerWaalsContact C-N 3.33Å; K517-T519 PolarHBondContact O-N 3.25Å; T519-R522 PolarHBondContact O-N 2.94Å; T519-Q523 WeakPolarHBondContact O-CB 3.46Å; T519-Q523 PolarHBondContact O-N 3.04Å
520T55.7Low52.2Low72 Ų72111.9 Ų111.944%0.44255%0.547SS..Hα-helixtrans-68.9-42.5179.2-14.30000111.5F516 K517 Q518 R522 Q523 R524F516-T520 PolarHBondContact O-N 3.21Å; F516-T520 PolarHBondContact O-OG1 2.63Å; K517-T520 PolarHBondContact O-N 3.1Å; K517-T520 VanDerWaalsContact O-N 3.11Å; K517-T520 PolarHBondContact O-OG1 2.8Å; Q518-T520 VanDerWaalsContact C-N 3.32Å; Q518-T520 PolarHBondContact O-N 3.08Å; T520-R522 VanDerWaalsContact C-N 3.35Å; T520-Q523 PolarHBondContact O-N 2.88Å; T520-R524 WeakPolarHBondContact O-CB 3.37Å; T520-R524 PolarHBondContact O-N 2.76Å
521D56.6Low51.1Low74 Ų74113.8 Ų113.840%0.39655%0.553SS.*Hα-helixtrans-65.9-37.8177.4-69.5-25.7000111.3K517 Q518 R524 L525K517-D521 PolarHBondContact O-N 3.34Å; Q518-D521 PolarHBondContact O-N 2.85Å; D521-R524 PolarHBondContact O-N 3.42Å; D521-L525 WeakPolarHBondContact O-CB 3.45Å; D521-L525 PolarHBondContact O-N 3.21Å
522R50.5Low50.3Low193 Ų193115.5 Ų115.573%0.72856%0.562SS**Hα-helixtrans-67-37.6176-148.9179.3-161.7-173.13.5112Q518 T519 T520 L526Q518-R522 VanDerWaalsContact O-CB 3.31Å; Q518-R522 WeakPolarHBondContact O-CB 3.46Å; Q518-R522 PolarHBondContact O-N 3.11Å; T519-R522 PolarHBondContact O-N 2.94Å; T520-R522 VanDerWaalsContact C-N 3.35Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 2.95Å; R522-L526 VanDerWaalsContact O-N 3.11Å
523Q46Very low49.7Very low117 Ų117112.1 Ų112.155%0.54756%0.557SS.*Hα-helixtrans-69.6-40175.8-157.4137.6-0.200111.2T519 T520 L525 L526 D527T519-Q523 WeakPolarHBondContact O-CB 3.46Å; T519-Q523 PolarHBondContact O-N 3.04Å; T520-Q523 PolarHBondContact O-N 2.88Å; Q523-L525 PolarHBondContact O-N 3.46Å; Q523-L526 WeakPolarHBondContact O-CB 3.48Å; Q523-L526 PolarHBondContact O-N 2.68Å; Q523-D527 VanDerWaalsContact O-CG 3.25Å; Q523-D527 PolarHBondContact O-N 2.91Å
524R54.8Low48.5Very low171 Ų171110.1 Ų110.165%0.64555%0.554SS**Hα-helixtrans-63-41.4173.7-151.9-177.7-139.4173.11.6112.7T520 D521 L526 D527 D528T520-R524 WeakPolarHBondContact O-CB 3.37Å; T520-R524 PolarHBondContact O-N 2.76Å; D521-R524 PolarHBondContact O-N 3.42Å; R524-L526 VanDerWaalsContact C-N 3.33Å; R524-L526 PolarHBondContact O-N 3.27Å; R524-D527 PolarHBondContact O-N 3.07Å; R524-D528 WeakPolarHBondContact O-CB 3.27Å; R524-D528 VanDerWaalsContact O-CG 3.25Å; R524-D528 PolarHBondContact O-N 3.19Å
525L51.1Low47Very low115 Ų115111 Ų11160%0.60256%0.563SS**Hα-helixtrans-62-38.5173.7-86.9157.5000112.4D521 Q523 T529D521-L525 WeakPolarHBondContact O-CB 3.45Å; D521-L525 PolarHBondContact O-N 3.21Å; Q523-L525 PolarHBondContact O-N 3.46Å; L525-T529 WeakPolarHBondContact O-CB 3.18Å; L525-T529 PolarHBondContact O-N 2.61Å; L525-T529 PolarHBondContact O-OG1 3.04Å
526L43.1Very low45.8Very low105 Ų105114.8 Ų114.855%0.5558%0.578SS.*Hα-helixtrans-66.9-45.6174.8-75.5162.1000111.1R522 Q523 R524 D528 T529 I530R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 2.95Å; R522-L526 VanDerWaalsContact O-N 3.11Å; Q523-L526 WeakPolarHBondContact O-CB 3.48Å; Q523-L526 PolarHBondContact O-N 2.68Å; R524-L526 VanDerWaalsContact C-N 3.33Å; R524-L526 PolarHBondContact O-N 3.27Å; L526-D528 PolarHBondContact O-N 3.19Å; L526-T529 PolarHBondContact O-N 3.11Å; L526-I530 VanDerWaalsContact O-CG1 3.3Å; L526-I530 WeakPolarHBondContact O-CG1 3.13Å; L526-I530 PolarHBondContact O-N 3.19Å
527D45.9Very low44.6Very low81 Ų81114 Ų11443%0.43359%0.585SS.*Hα-helixtrans-64-38.9177.9-65.1-20.8000111.7Q523 R524 T529 I530 N531Q523-D527 VanDerWaalsContact O-CG 3.25Å; Q523-D527 PolarHBondContact O-N 2.91Å; R524-D527 PolarHBondContact O-N 3.07Å; D527-T529 VanDerWaalsContact C-N 3.33Å; D527-I530 PolarHBondContact O-N 2.89Å; D527-N531 WeakPolarHBondContact O-CB 3.48Å; D527-N531 VanDerWaalsContact O-CG 3.23Å; D527-N531 PolarHBondContact O-N 2.75Å; D527-N531 PolarHBondContact O-ND2 2.83Å; D527-N531 VanDerWaalsContact O-ND2 3.08Å
528D49Very low42.9Very low84 Ų84115.7 Ų115.745%0.44960%0.601SS.*Hα-helixtrans-70.5-28.4175.4-72.1-21.1000112.4R524 L526 N532R524-D528 WeakPolarHBondContact O-CB 3.27Å; R524-D528 VanDerWaalsContact O-CG 3.25Å; R524-D528 PolarHBondContact O-N 3.19Å; L526-D528 PolarHBondContact O-N 3.19Å; D528-N532 WeakPolarHBondContact O-CB 3.37Å; D528-N532 PolarHBondContact O-N 3.26Å; D528-N532 VanDerWaalsContact O-N 3.14Å; D528-N532 PolarHBondContact O-ND2 3.19Å
529T49Very low41.5Very low93 Ų93112.1 Ų112.157%0.57160%0.602SS**Hα-helixtrans-73.1-42.3174.3-52.90000110.4L525 L526 D527 N532 S533L525-T529 WeakPolarHBondContact O-CB 3.18Å; L525-T529 PolarHBondContact O-N 2.61Å; L525-T529 PolarHBondContact O-OG1 3.04Å; L526-T529 PolarHBondContact O-N 3.11Å; D527-T529 VanDerWaalsContact C-N 3.33Å; T529-N532 PolarHBondContact O-N 3.29Å; T529-S533 PolarHBondContact O-N 2.96Å; T529-S533 VanDerWaalsContact O-N 3.14Å; T529-S533 PolarHBondContact O-OG 3.26Å
530I41.2Very low40.1Very low94 Ų94120 Ų12048%0.48262%0.624SS.*Hα-helixtrans-65.3-44.5176.6-66.9166.2000110.6L526 D527 N532 S533 D534L526-I530 VanDerWaalsContact O-CG1 3.3Å; L526-I530 WeakPolarHBondContact O-CG1 3.13Å; L526-I530 PolarHBondContact O-N 3.19Å; D527-I530 PolarHBondContact O-N 2.89Å; I530-N532 VanDerWaalsContact C-N 3.3Å; I530-N532 PolarHBondContact O-N 3.46Å; I530-S533 WeakPolarHBondContact CA-OG 3.42Å; I530-S533 PolarHBondContact O-N 2.83Å; I530-S533 PolarHBondContact O-OG 3.18Å; I530-D534 PolarHBondContact O-N 3.13Å
531N38Very low38.6Very low95 Ų95123.3 Ų123.351%0.50864%0.639SS.*Hα-helixtrans-70.3-23.2179-71.9-34.7000113.6D527D527-N531 WeakPolarHBondContact O-CB 3.48Å; D527-N531 VanDerWaalsContact O-CG 3.23Å; D527-N531 PolarHBondContact O-N 2.75Å; D527-N531 PolarHBondContact O-ND2 2.83Å; D527-N531 VanDerWaalsContact O-ND2 3.08Å
532N38.9Very low37Very low123 Ų123126.6 Ų126.666%0.65866%0.657SS**Hα-helixtrans-83.7-23.1173.6-83.9-48.1000113.4D528 T529 I530 D534D528-N532 WeakPolarHBondContact O-CB 3.37Å; D528-N532 PolarHBondContact O-N 3.26Å; D528-N532 VanDerWaalsContact O-N 3.14Å; D528-N532 PolarHBondContact O-ND2 3.19Å; T529-N532 PolarHBondContact O-N 3.29Å; I530-N532 VanDerWaalsContact C-N 3.3Å; I530-N532 PolarHBondContact O-N 3.46Å; N532-D534 VanDerWaalsContact C-N 3.34Å
533S37.4Very low35.8Very low77 Ų77122.3 Ų122.354%0.53866%0.656SS.*Hα-helixtrans-72.9-25.5171.939.70000113.3T529 I530 N535T529-S533 PolarHBondContact O-N 2.96Å; T529-S533 VanDerWaalsContact O-N 3.14Å; T529-S533 PolarHBondContact O-OG 3.26Å; I530-S533 WeakPolarHBondContact CA-OG 3.42Å; I530-S533 PolarHBondContact O-N 2.83Å; I530-S533 PolarHBondContact O-OG 3.18Å; S533-N535 PolarHBondContact O-N 3.3Å
534D31.6Very low34.7Very low124 Ų124123.7 Ų123.766%0.66367%0.667SS**THydrogen-bonded Turntrans-83.4-5.2-177-74.7-15.3000114.5I530 N532I530-D534 PolarHBondContact O-N 3.13Å; N532-D534 VanDerWaalsContact C-N 3.34Å
535N28.4Very low33.3Very low136 Ų136124.2 Ų124.273%0.72768%0.677SS**THydrogen-bonded Turntrans-105.917.5-177.5-81.7-42.2000115.1S533S533-N535 PolarHBondContact O-N 3.3Å
536N27.1Very low32.1Very low149 Ų149127.5 Ų127.580%0.79769%0.69SS**  trans-138.155.1-178.7-124.25000113.4
537V28.2Very low31.4Very low134 Ų134132.5 Ų132.581%0.81270%0.702SS**  trans-14183.4161.1-170.30000108.9
538N23.3Very low30.5Very low172 Ų172137.8 Ų137.892%0.9273%0.725SS**  trans-133.8119.5164.5-92.4-35.3000108.2
539G23.3Very low29.4Very low66 Ų66140.3 Ų140.368%0.6873%0.734SS**  trans93.4107.8169.200000114.2
540Y24.2Very low28.3Very low246 Ų246144.1 Ų144.197%0.96574%0.739SS**  -163.5145100.5-108.6-80.6000111.9
541D23.4Very low27.7Very low141 Ų141147.7 Ų147.775%0.75476%0.759SS**  trans-68.8169.3-169.2-136.2-18.2000116.5
542D22.1Very low27.2Very low143 Ų143152.3 Ų152.377%0.76577%0.769SS**  trans-38.2142.6171.9-80-37.6000117.2
543S25.1Very low26.7Very low103 Ų103154.3 Ų154.372%0.7277%0.772SS**  157.6128.4118.4490000113.7
544D24.2Very low26.4Very low145 Ų145155.3 Ų155.378%0.77578%0.779SS**  trans56.9122.1136.8-53.6-23.7000123.3
545E25.5Very low26.7Very low183 Ų183155.7 Ų155.786%0.85579%0.786SS**  trans38.299.2132.6-63.1-176.5166.600119.8
546E26.3Very low27.1Very low184 Ų184159.6 Ų159.686%0.8679%0.79SS**  trans168.395.5133.3-102.8-175.6157.900110.4
547Y27.3Very low27.8Very low209 Ų209161.6 Ų161.682%0.8280%0.795SS**  trans-14251.7163-96.2-80.6000111.6Y550Y547-Y550 HydrophobicContact CD1-CD2 4.42Å; Y547-Y550 AromaticContact CE1-CD2 3.98Å; Y547-Y550 HydrophobicContact CE1-CD2 3.98Å; Y547-Y550 HydrophobicContact CE1-CE2 4.45Å
548E26.7Very low29.1Very low193 Ų193159.8 Ų159.890%0.90278%0.779SS**SBendtrans-11062.1161.9-90.9-103.4168.800108.7
549E26.9Very low31.2Very low136 Ų136156.1 Ų156.164%0.63676%0.76SS**  trans-160.413157.4-130.4-173.7161.200118.5N551 R552E549-N551 VanDerWaalsContact C-N 3.25Å; E549-N551 PolarHBondContact O-N 2.95Å; E549-N551 VanDerWaalsContact O-N 3.16Å; E549-R552 IonicContact OE1-CZ 2.74Å; E549-R552 IonicContact OE1-NE 3.6Å; E549-R552 IonicContact OE1-NH2 3.59Å; E549-R552 PolarHBondContact OE1-NH2 3.21Å
550Y26.3Very low33.5Very low174 Ų174159.3 Ų159.368%0.68276%0.761SS**THydrogen-bonded Turntrans-86.928.9178.6-107-84.3000115.5Y547 F553Y547-Y550 HydrophobicContact CD1-CD2 4.42Å; Y547-Y550 AromaticContact CE1-CD2 3.98Å; Y547-Y550 HydrophobicContact CE1-CD2 3.98Å; Y547-Y550 HydrophobicContact CE1-CE2 4.45Å; Y550-F553 HydrophobicContact CD1-CD2 4.37Å; Y550-F553 HydrophobicContact CE1-CD2 4.06Å; Y550-F553 HydrophobicContact CE1-CE2 4.06Å
551N27.5Very low35.8Very low168 Ų168155.2 Ų155.290%0.89875%0.748SS**THydrogen-bonded Turntrans-103.917.8173.1-104.7-18.6000114.3E549E549-N551 VanDerWaalsContact C-N 3.25Å; E549-N551 PolarHBondContact O-N 2.95Å; E549-N551 VanDerWaalsContact O-N 3.16Å
552R27.4Very low38.1Very low192 Ų192151.5 Ų151.573%0.72573%0.731SS**  trans-123.354.4173.6-82-165.4-81.2-170.1-5.8113.8E549E549-R552 IonicContact OE1-CZ 2.74Å; E549-R552 IonicContact OE1-NE 3.6Å; E549-R552 IonicContact OE1-NH2 3.59Å; E549-R552 PolarHBondContact OE1-NH2 3.21Å
553F29.7Very low40.7Very low165 Ų165150 Ų15072%0.72472%0.718SS**  trans-124.390.9150.3-75.5-77.4000109.2Y550 V555Y550-F553 HydrophobicContact CD1-CD2 4.37Å; Y550-F553 HydrophobicContact CE1-CD2 4.06Å; Y550-F553 HydrophobicContact CE1-CE2 4.06Å; F553-V555 PolarHBondContact O-N 2.82Å
554S31.2Very low43Very low98 Ų98148.9 Ų148.969%0.68570%0.703SS**  trans-44.2115.6156.456.70000107.9R556S554-R556 VanDerWaalsContact C-N 3.29Å; S554-R556 PolarHBondContact O-N 3.15Å
555V36.7Very low45.4Very low133 Ų133146.2 Ų146.281%0.80669%0.689SS**  trans-59.697.6172.61800000106.4F553 H557F553-V555 PolarHBondContact O-N 2.82Å; V555-H557 PolarHBondContact O-N 2.72Å; V555-H557 VanDerWaalsContact O-N 3.1Å
556R36.6Very low47.7Very low217 Ų217141.2 Ų141.282%0.81967%0.667SS**  trans-64.9112.7171.1-74.4-173.1-175.3-175.42.6105.6S554 I558S554-R556 VanDerWaalsContact C-N 3.29Å; S554-R556 PolarHBondContact O-N 3.15Å; R556-I558 PolarHBondContact O-N 3.12Å
557H43Very low50Low191 Ų191136.7 Ų136.788%0.88465%0.649SS**  trans-49.8112.1167-89.1-76.4000108.7V555V555-H557 PolarHBondContact O-N 2.72Å; V555-H557 VanDerWaalsContact O-N 3.1Å
558I54.1Low52.2Low96 Ų96135.8 Ų135.849%0.49264%0.644SS.*  trans-84.6119.5167.6-59.3179.1000105.1R556 T562 F563 L566R556-I558 PolarHBondContact O-N 3.12Å; I558-T562 HydrophobicContact CG2-CG2 3.69Å; I558-F563 HydrophobicContact CG2-CB 4.18Å; I558-L566 HydrophobicContact CD1-CD1 4.42Å
559D69Low54.1Low95 Ų95132.2 Ų132.251%0.50863%0.627SS.*  trans-65.3154.2173.863.554.1000111.4K561 T562 F563D559-K561 PolarHBondContact O-N 3.2Å; D559-K561 WeakPolarHBondContact OD1-CB 3.22Å; D559-K561 PolarHBondContact OD1-N 3.15Å; D559-T562 PolarHBondContact O-N 3.38Å; D559-T562 WeakPolarHBondContact OD1-CB 3.4Å; D559-T562 PolarHBondContact OD1-N 3.15Å; D559-T562 PolarHBondContact OD1-OG1 3.16Å; D559-F563 PolarHBondContact O-N 3Å
560D71Confident55.7Low133 Ų133132 Ų13271%0.71164%0.638SS**Hα-helixtrans-53.7-32.4-175.3-63-16.9000112.8F563 I564D560-F563 PolarHBondContact O-N 3.49Å; D560-I564 WeakPolarHBondContact O-CB 3.39Å; D560-I564 WeakPolarHBondContact O-CG1 3.29Å; D560-I564 PolarHBondContact O-N 3.5Å
561K72Confident56.9Low160 Ų160130.8 Ų130.870%0.69664%0.643SS**Hα-helixtrans-71.4-39.7-178.3-160.8176.5-175.4179.70111.2D559 N565D559-K561 PolarHBondContact O-N 3.2Å; D559-K561 WeakPolarHBondContact OD1-CB 3.22Å; D559-K561 PolarHBondContact OD1-N 3.15Å; K561-N565 VanDerWaalsContact O-CG 3.31Å; K561-N565 PolarHBondContact O-N 2.88Å; K561-N565 VanDerWaalsContact O-N 3.11Å; K561-N565 PolarHBondContact O-ND2 2.93Å
562T72.5Confident57.7Low63 Ų63125.7 Ų125.739%0.38762%0.616SS.*Hα-helixtrans-69.7-40.2175.9-550000110.8I558 D559 N565 L566I558-T562 HydrophobicContact CG2-CG2 3.69Å; D559-T562 PolarHBondContact O-N 3.38Å; D559-T562 WeakPolarHBondContact OD1-CB 3.4Å; D559-T562 PolarHBondContact OD1-N 3.15Å; D559-T562 PolarHBondContact OD1-OG1 3.16Å; T562-N565 PolarHBondContact O-N 3.38Å; T562-L566 WeakPolarHBondContact O-CG 3.45Å; T562-L566 PolarHBondContact O-N 3.35Å
563F75.6Confident58.5Low113 Ų113125.8 Ų125.850%0.49662%0.621SS.*Hα-helixtrans-62.4-46.1174.3-175.5-109.5000112.2I558 D559 D560 N565 L566 L567I558-F563 HydrophobicContact CG2-CB 4.18Å; D559-F563 PolarHBondContact O-N 3Å; D560-F563 PolarHBondContact O-N 3.49Å; F563-N565 VanDerWaalsContact C-N 3.28Å; F563-N565 PolarHBondContact O-N 3.23Å; F563-L566 WeakPolarHBondContact O-CB 3.46Å; F563-L566 PolarHBondContact O-N 3.2Å; F563-L566 VanDerWaalsContact O-N 3.15Å; F563-L567 HydrophobicContact CD1-CD1 4.03Å; F563-L567 HydrophobicContact CE1-CD1 3.59Å; F563-L567 HydrophobicContact CE1-CG 4.22Å; F563-L567 HydrophobicContact CZ-CD1 4.05Å; F563-L567 HydrophobicContact CZ-CD2 4.29Å; F563-L567 HydrophobicContact CZ-CG 4.29Å; F563-L567 PolarHBondContact O-N 3.22Å; F563-L567 VanDerWaalsContact O-N 3.07Å
564I74.5Confident59.8Low78 Ų78127 Ų12740%0.462%0.622SS.*Hα-helixtrans-61.5-36.6176.5-72171.1000111.7D560 L567 R568D560-I564 WeakPolarHBondContact O-CB 3.39Å; D560-I564 WeakPolarHBondContact O-CG1 3.29Å; D560-I564 PolarHBondContact O-N 3.5Å; I564-L567 PolarHBondContact O-N 3.07Å; I564-R568 WeakPolarHBondContact O-CG 3.45Å; I564-R568 PolarHBondContact O-N 3.32Å
565N74.3Confident60.4Low90 Ų90131.8 Ų131.848%0.48165%0.651SS.*Hα-helixtrans-70.2-34.1176.7-75.3-22.7000112.8K561 T562 F563 R568K561-N565 VanDerWaalsContact O-CG 3.31Å; K561-N565 PolarHBondContact O-N 2.88Å; K561-N565 VanDerWaalsContact O-N 3.11Å; K561-N565 PolarHBondContact O-ND2 2.93Å; T562-N565 PolarHBondContact O-N 3.38Å; F563-N565 VanDerWaalsContact C-N 3.28Å; F563-N565 PolarHBondContact O-N 3.23Å; N565-R568 PolarHBondContact O-N 3.45Å
566L73.5Confident61.6Low77 Ų77131.7 Ų131.740%0.40364%0.643SS.*Hα-helixtrans-63.9-43173.3-77.5163000111.4I558 T562 F563 R568 Q569I558-L566 HydrophobicContact CD1-CD1 4.42Å; T562-L566 WeakPolarHBondContact O-CG 3.45Å; T562-L566 PolarHBondContact O-N 3.35Å; F563-L566 WeakPolarHBondContact O-CB 3.46Å; F563-L566 PolarHBondContact O-N 3.2Å; F563-L566 VanDerWaalsContact O-N 3.15Å; L566-R568 PolarHBondContact O-N 3.33Å; L566-Q569 PolarHBondContact O-N 3.02Å
567L74.3Confident62.9Low90 Ų90127.2 Ų127.247%0.47163%0.634SS.*Hα-helixtrans-63.8-26.5176.7-67.9178.3000113.6F563 I564F563-L567 HydrophobicContact CD1-CD1 4.03Å; F563-L567 HydrophobicContact CE1-CD1 3.59Å; F563-L567 HydrophobicContact CE1-CG 4.22Å; F563-L567 HydrophobicContact CZ-CD1 4.05Å; F563-L567 HydrophobicContact CZ-CD2 4.29Å; F563-L567 HydrophobicContact CZ-CG 4.29Å; F563-L567 PolarHBondContact O-N 3.22Å; F563-L567 VanDerWaalsContact O-N 3.07Å; I564-L567 PolarHBondContact O-N 3.07Å
568R73.8Confident64Low189 Ų189123.7 Ų123.771%0.71362%0.62SS**THydrogen-bonded Turntrans-86.8-2-179.3-72.9176.2178.9-179.90.7113.9I564 N565 L566I564-R568 WeakPolarHBondContact O-CG 3.45Å; I564-R568 PolarHBondContact O-N 3.32Å; N565-R568 PolarHBondContact O-N 3.45Å; L566-R568 PolarHBondContact O-N 3.33Å
569Q66.8Low64.6Low118 Ų118125.3 Ų125.355%0.55163%0.628SS**SBendtrans-68.2133.9177.2-67-161.35.900110.5L566 N571 N572L566-Q569 PolarHBondContact O-N 3.02Å; Q569-N571 PolarHBondContact O-N 2.91Å; Q569-N572 PolarHBondContact O-N 2.64Å
570P59.1Low64.3Low132 Ų132127.2 Ų127.286%0.85764%0.635SS**THydrogen-bonded Turntrans-58.5-21.9-174.7-24.532.5000115
571N52Low63.9Low148 Ų148126.8 Ų126.879%0.79163%0.63SS**THydrogen-bonded Turntrans-115.533.7-175.3-69-16.1000112.6Q569 K573Q569-N571 PolarHBondContact O-N 2.91Å; N571-K573 PolarHBondContact O-N 2.72Å
572N44.2Very low63.3Low61 Ų61124.4 Ų124.433%0.32663%0.625SS.*  trans-65.4125179.7-167.711.1000111Q569 Y574Q569-N572 PolarHBondContact O-N 2.64Å; N572-Y574 WeakPolarHBondContact OD1-CD2 3.38Å; N572-Y574 PolarHBondContact OD1-N 3.24Å
573K44.9Very low62.6Low195 Ų195129.2 Ų129.285%0.84864%0.644SS**  trans-92.51.5179.4-80.4-170.9176.2-176.40113.8N571N571-K573 PolarHBondContact O-N 2.72Å
574Y57.3Low61.5Low190 Ų190130.5 Ų130.575%0.74566%0.656SS**  trans-97.9120.5177-65.3-80.1000109.5N572N572-Y574 WeakPolarHBondContact OD1-CD2 3.38Å; N572-Y574 PolarHBondContact OD1-N 3.24Å
575P43Very low60.3Low198 Ų198135.3 Ų135.3100%1.28668%0.679SS**  trans-660-17827.1-33.8000113.8

Retrieved 575 of 575 residues in 891.5 ms (Link to these results)

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