A0A5K4FAJ3_SCHMA Loading...

Heparin sulfate O-sulfotransferase

AlphaFold DB , UniProt , Accession A0A5K4FAJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 385 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
1M42.9Very low57.7Low222 Ų222143.5 Ų143.5100%1.09469%0.689SS**  0114.90-83.6167.114900109.3F3M1-F3 HydrophobicContact CB-CD2 4.49Å; M1-F3 HydrophobicContact CB-CE2 4.26Å; M1-F3 PolarHBondContact O-N 3.17Å
2N47.6Very low59Low149 Ų149139.3 Ų139.380%0.79768%0.679SS**  trans-87.280.7-164.2-127.9-15.2000111.6R4N2-R4 PolarHBondContact O-N 3.38Å
3F54.2Low59.9Low169 Ų169138.8 Ų138.874%0.74167%0.674SS**THydrogen-bonded Turntrans-70.5-8.9179.7-82.8-82.9000114.6M1 G5M1-F3 HydrophobicContact CB-CD2 4.49Å; M1-F3 HydrophobicContact CB-CE2 4.26Å; M1-F3 PolarHBondContact O-N 3.17Å; F3-G5 VanDerWaalsContact C-N 3.28Å; F3-G5 PolarHBondContact O-N 3.25Å
4R53.5Low60.9Low221 Ų221134.1 Ų134.183%0.83466%0.658SS**Hα-helixtrans-69.2-21.7176.9-83.7-177.2169.6179.1-2113.8N2N2-R4 PolarHBondContact O-N 3.38Å
5G55.3Low61.9Low38 Ų38132.1 Ų132.139%0.39265%0.65SS.*Hα-helixtrans-73.7-42.1-179.900000114F3 S7 R8 L9F3-G5 VanDerWaalsContact C-N 3.28Å; F3-G5 PolarHBondContact O-N 3.25Å; G5-S7 PolarHBondContact O-N 3.12Å; G5-R8 PolarHBondContact O-N 3.35Å; G5-L9 PolarHBondContact O-N 3.48Å; G5-L9 VanDerWaalsContact O-N 3.12Å
6V59.4Low62.9Low86 Ų86127.8 Ų127.852%0.52163%0.633SS.*Hα-helixtrans-68.6-37.9-174.5-175.30000111.7L9 F10V6-L9 PolarHBondContact O-N 3Å; V6-F10 HydrophobicContact CG1-CD2 4.38Å; V6-F10 PolarHBondContact O-N 3.41Å
7S62.8Low63.7Low70 Ų70124.7 Ų124.749%0.4962%0.623SS.*Hα-helixtrans-66.7-36.6177.6-176.10000112.8G5 K11G5-S7 PolarHBondContact O-N 3.12Å; S7-K11 PolarHBondContact O-N 3.43Å; S7-K11 VanDerWaalsContact O-N 3.13Å
8R62.5Low64.5Low201 Ų201122.9 Ų122.976%0.75862%0.615SS**Hα-helixtrans-68.5-44.7174.5-89.4-173.5176.2-176.3-1111.5G5 F10 K11 V12G5-R8 PolarHBondContact O-N 3.35Å; R8-F10 PolarHBondContact O-N 2.93Å; R8-K11 PolarHBondContact O-N 3.33Å; R8-V12 VanDerWaalsContact O-CG2 3.28Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 3.5Å
9L61.2Low65.2Low128 Ų128122.9 Ų122.967%0.6761%0.613SS**Hα-helixtrans-60.5-44.9177.7-92.2150.2000112.3G5 V6 V12 H13G5-L9 PolarHBondContact O-N 3.48Å; G5-L9 VanDerWaalsContact O-N 3.12Å; V6-L9 PolarHBondContact O-N 3Å; L9-V12 PolarHBondContact O-N 3.13Å; L9-H13 WeakPolarHBondContact O-CB 3.28Å; L9-H13 PolarHBondContact O-N 3.38Å
10F65.9Low65.8Low147 Ų147125.7 Ų125.765%0.64562%0.616SS**Hα-helixtrans-62.9-44.3176.2-111.4-87.7000112.2V6 R8 V12 H13 T14V6-F10 HydrophobicContact CG1-CD2 4.38Å; V6-F10 PolarHBondContact O-N 3.41Å; R8-F10 PolarHBondContact O-N 2.93Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.96Å; F10-H13 PolarHBondContact O-N 3.32Å; F10-T14 PolarHBondContact O-N 3.44Å; F10-T14 PolarHBondContact O-OG1 3.03Å
11K69.7Low66.4Low147 Ų147124 Ų12464%0.63961%0.613SS**Hα-helixtrans-61.4-42.2177.1-82.2-177176.5-177.70112.4S7 R8 L15S7-K11 PolarHBondContact O-N 3.43Å; S7-K11 VanDerWaalsContact O-N 3.13Å; R8-K11 PolarHBondContact O-N 3.33Å; K11-L15 WeakPolarHBondContact O-CB 3.27Å; K11-L15 PolarHBondContact O-N 2.97Å
12V73Confident68Low93 Ų93117.8 Ų117.856%0.56458%0.583SS**Hα-helixtrans-64.7-44.8177.5173.80000110.5R8 L9 F10 T14 L15 V16R8-V12 VanDerWaalsContact O-CG2 3.28Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 3.5Å; L9-V12 PolarHBondContact O-N 3.13Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.96Å; V12-T14 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 2.98Å; V12-V16 HydrophobicContact CG1-CG2 4.43Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.41Å; V12-V16 PolarHBondContact O-N 2.96Å
13H71.4Confident69.7Low134 Ų134115.9 Ų115.962%0.6257%0.573SS**Hα-helixtrans-64.9-41.2-179.7-142.6-71.4000112.3L9 F10 V16 V17L9-H13 WeakPolarHBondContact O-CB 3.28Å; L9-H13 PolarHBondContact O-N 3.38Å; F10-H13 PolarHBondContact O-N 3.32Å; H13-V16 PolarHBondContact O-N 2.99Å; H13-V17 VanDerWaalsContact O-CG2 3.27Å; H13-V17 WeakPolarHBondContact O-CG2 3.29Å; H13-V17 PolarHBondContact O-N 3.34Å
14T73.6Confident71Confident72 Ų72113 Ų11344%0.44257%0.565SS.*Hα-helixtrans-65.7-41.1176.5-51.50000111.8F10 V12 V17 I18F10-T14 PolarHBondContact O-N 3.44Å; F10-T14 PolarHBondContact O-OG1 3.03Å; V12-T14 PolarHBondContact O-N 3.47Å; T14-V17 PolarHBondContact O-N 3.37Å; T14-I18 HydrophobicContact CG2-CD1 3.92Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.28Å; T14-I18 PolarHBondContact O-N 2.93Å
15L75.3Confident72.3Confident105 Ų105111.1 Ų111.155%0.5556%0.558SS.*Hα-helixtrans-60.5-46.5174.7-104144.9000111.8K11 V12 V17 I18 E19K11-L15 WeakPolarHBondContact O-CB 3.27Å; K11-L15 PolarHBondContact O-N 2.97Å; V12-L15 PolarHBondContact O-N 2.98Å; L15-V17 VanDerWaalsContact C-N 3.33Å; L15-V17 PolarHBondContact O-N 3.42Å; L15-I18 PolarHBondContact O-N 3.29Å; L15-E19 WeakPolarHBondContact O-CB 3.39Å; L15-E19 WeakPolarHBondContact O-CG 3.49Å; L15-E19 PolarHBondContact O-N 3.29Å
16V77.7Confident73.7Confident62 Ų62118 Ų11838%0.37657%0.572SS.*Hα-helixtrans-62.9-38.9178.4172.50000111.8V12 H13 R20V12-V16 HydrophobicContact CG1-CG2 4.43Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.41Å; V12-V16 PolarHBondContact O-N 2.96Å; H13-V16 PolarHBondContact O-N 2.99Å; V16-R20 WeakPolarHBondContact O-CB 3.48Å; V16-R20 WeakPolarHBondContact O-CG 3.32Å; V16-R20 PolarHBondContact O-N 3Å
17V77.9Confident74.9Confident76 Ų76119 Ų11946%0.46157%0.574SS.*Hα-helixtrans-67.3-44.5176.8172.50000111.1H13 T14 L15 R20 V21H13-V17 VanDerWaalsContact O-CG2 3.27Å; H13-V17 WeakPolarHBondContact O-CG2 3.29Å; H13-V17 PolarHBondContact O-N 3.34Å; T14-V17 PolarHBondContact O-N 3.37Å; L15-V17 VanDerWaalsContact C-N 3.33Å; L15-V17 PolarHBondContact O-N 3.42Å; V17-R20 PolarHBondContact O-N 3.48Å; V17-V21 HydrophobicContact CG1-CG2 4.45Å; V17-V21 WeakPolarHBondContact O-CG2 3.38Å; V17-V21 PolarHBondContact O-N 2.88Å
18I77Confident75.9Confident92 Ų92123.4 Ų123.447%0.47258%0.584SS.*Hα-helixtrans-62.8-44177.4-68.9168.4000110.6T14 L15 R20 V21 L22T14-I18 HydrophobicContact CG2-CD1 3.92Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.28Å; T14-I18 PolarHBondContact O-N 2.93Å; L15-I18 PolarHBondContact O-N 3.29Å; I18-R20 PolarHBondContact O-N 2.91Å; I18-V21 PolarHBondContact O-N 2.86Å; I18-L22 HydrophobicContact CG2-CD1 3.76Å; I18-L22 HydrophobicContact CG2-CG 4.26Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 WeakPolarHBondContact O-CG 3.44Å; I18-L22 PolarHBondContact O-N 3.41Å
19E77.8Confident77Confident124 Ų124117.6 Ų117.658%0.57957%0.571SS**Hα-helixtrans-60.4-43.6175.6-79.2-175165.400111.9L15 L22 L23L15-E19 WeakPolarHBondContact O-CB 3.39Å; L15-E19 WeakPolarHBondContact O-CG 3.49Å; L15-E19 PolarHBondContact O-N 3.29Å; E19-L22 PolarHBondContact O-N 3.44Å; E19-L23 VanDerWaalsContact O-CB 3.24Å; E19-L23 WeakPolarHBondContact O-CB 3.48Å; E19-L23 PolarHBondContact O-N 3.3Å
20R77.9Confident78.3Confident178 Ų178116.5 Ų116.567%0.67257%0.565SS**Hα-helixtrans-63.4-41.7175.5-77.5-175.3-176.9-152.81.8112.6V16 V17 I18 L23 N24V16-R20 WeakPolarHBondContact O-CB 3.48Å; V16-R20 WeakPolarHBondContact O-CG 3.32Å; V16-R20 PolarHBondContact O-N 3Å; V17-R20 PolarHBondContact O-N 3.48Å; I18-R20 PolarHBondContact O-N 2.91Å; R20-L23 PolarHBondContact O-N 3.45Å; R20-N24 WeakPolarHBondContact O-CB 3.33Å; R20-N24 PolarHBondContact O-N 3.03Å
21V77.7Confident79.4Confident91 Ų91117 Ų11755%0.55257%0.567SS**Hα-helixtrans-66.8-43.2177.8171.40000111V17 I18 N24 R25V17-V21 HydrophobicContact CG1-CG2 4.45Å; V17-V21 WeakPolarHBondContact O-CG2 3.38Å; V17-V21 PolarHBondContact O-N 2.88Å; I18-V21 PolarHBondContact O-N 2.86Å; V21-N24 PolarHBondContact O-N 3.43Å; V21-R25 WeakPolarHBondContact O-CB 3.37Å; V21-R25 PolarHBondContact O-N 2.89Å
22L77.9Confident80.2Confident91 Ų91113.4 Ų113.448%0.47656%0.561SS.*Hα-helixtrans-65.1-39.8175.9-73.3172.6000111.7I18 E19 R25 R26I18-L22 HydrophobicContact CG2-CD1 3.76Å; I18-L22 HydrophobicContact CG2-CG 4.26Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 WeakPolarHBondContact O-CG 3.44Å; I18-L22 PolarHBondContact O-N 3.41Å; E19-L22 PolarHBondContact O-N 3.44Å; L22-R25 PolarHBondContact O-N 2.89Å; L22-R26 WeakPolarHBondContact O-CB 3.38Å; L22-R26 WeakPolarHBondContact O-CG 3.35Å; L22-R26 PolarHBondContact O-N 3.38Å
23L81.3Confident81Confident109 Ų109113.7 Ų113.757%0.57156%0.558SS**Hα-helixtrans-63.4-46.8175.4-16872000110.8E19 R20 R25 R26 L27E19-L23 VanDerWaalsContact O-CB 3.24Å; E19-L23 WeakPolarHBondContact O-CB 3.48Å; E19-L23 PolarHBondContact O-N 3.3Å; R20-L23 PolarHBondContact O-N 3.45Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 3.45Å; L23-R26 PolarHBondContact O-N 2.87Å; L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 PolarHBondContact O-N 3.32Å
24N81.9Confident81.9Confident107 Ų107115 Ų11557%0.57256%0.563SS**Hα-helixtrans-61.2-40.9175.4-81.6-5000112.2R20 V21 L27 F28R20-N24 WeakPolarHBondContact O-CB 3.33Å; R20-N24 PolarHBondContact O-N 3.03Å; V21-N24 PolarHBondContact O-N 3.43Å; N24-L27 PolarHBondContact O-N 3.3Å; N24-F28 WeakPolarHBondContact O-CB 3.46Å; N24-F28 PolarHBondContact O-N 2.83Å
25R80.8Confident82.7Confident183 Ų183115.1 Ų115.169%0.69157%0.567SS**Hα-helixtrans-67.1-41177.9-163.9176.4178.7-168.4-0.6111.6V21 L22 L23 F28 V29V21-R25 WeakPolarHBondContact O-CB 3.37Å; V21-R25 PolarHBondContact O-N 2.89Å; L22-R25 PolarHBondContact O-N 2.89Å; L23-R25 VanDerWaalsContact C-N 3.34Å; L23-R25 PolarHBondContact O-N 3.45Å; R25-F28 PolarHBondContact O-N 3.01Å; R25-V29 VanDerWaalsContact O-CG2 3.3Å; R25-V29 WeakPolarHBondContact O-CG2 3.38Å; R25-V29 PolarHBondContact O-N 3.39Å
26R84.3Confident83.4Confident183 Ų183112.6 Ų112.669%0.69156%0.558SS**Hα-helixtrans-62.2-44172-75.9179.4177.8-172.50.5111.1L22 L23 F28 V29 L30L22-R26 WeakPolarHBondContact O-CB 3.38Å; L22-R26 WeakPolarHBondContact O-CG 3.35Å; L22-R26 PolarHBondContact O-N 3.38Å; L23-R26 PolarHBondContact O-N 2.87Å; R26-F28 VanDerWaalsContact C-N 3.32Å; R26-F28 PolarHBondContact O-N 3.37Å; R26-V29 PolarHBondContact O-N 3.37Å; R26-L30 WeakPolarHBondContact O-CB 3.39Å; R26-L30 VanDerWaalsContact O-CG 3.26Å; R26-L30 WeakPolarHBondContact O-CG 3.3Å; R26-L30 PolarHBondContact O-N 3.35Å
27L84.9Confident84.1Confident107 Ų107113.3 Ų113.356%0.5656%0.562SS**Hα-helixtrans-60.6-43.1177.4-146.884.7000111.1L23 N24 L30 F31L23-L27 WeakPolarHBondContact O-CB 3.24Å; L23-L27 PolarHBondContact O-N 3.32Å; N24-L27 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 2.87Å; L27-F31 WeakPolarHBondContact O-CB 3.34Å; L27-F31 PolarHBondContact O-N 2.84Å
28F83.7Confident84.7Confident161 Ų161113.3 Ų113.371%0.70657%0.565SS**Hα-helixtrans-65.9-42.4178.9-160.9-91.3000112.4N24 R25 R26 F31 S32N24-F28 WeakPolarHBondContact O-CB 3.46Å; N24-F28 PolarHBondContact O-N 2.83Å; R25-F28 PolarHBondContact O-N 3.01Å; R26-F28 VanDerWaalsContact C-N 3.32Å; R26-F28 PolarHBondContact O-N 3.37Å; F28-F31 PolarHBondContact O-N 2.93Å; F28-S32 WeakPolarHBondContact O-CB 3.44Å; F28-S32 PolarHBondContact O-N 2.94Å
29V86.5Confident85.5Confident80 Ų80113.9 Ų113.949%0.48557%0.569SS.*Hα-helixtrans-63.7-43.6175172.20000110.8R25 R26 F31 S32 L33R25-V29 VanDerWaalsContact O-CG2 3.3Å; R25-V29 WeakPolarHBondContact O-CG2 3.38Å; R25-V29 PolarHBondContact O-N 3.39Å; R26-V29 PolarHBondContact O-N 3.37Å; V29-F31 VanDerWaalsContact C-N 3.35Å; V29-F31 PolarHBondContact O-N 3.49Å; V29-S32 PolarHBondContact O-N 3.36Å; V29-L33 HydrophobicContact CG1-CD1 3.92Å; V29-L33 WeakPolarHBondContact O-CB 3.38Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 2.9Å
30L89.1Confident86.3Confident104 Ų104113.5 Ų113.555%0.54557%0.57SS.*Hα-helixtrans-62.6-41.4176-72.4169.3000111.7R26 L27 L33 F34R26-L30 WeakPolarHBondContact O-CB 3.39Å; R26-L30 VanDerWaalsContact O-CG 3.26Å; R26-L30 WeakPolarHBondContact O-CG 3.3Å; R26-L30 PolarHBondContact O-N 3.35Å; L27-L30 PolarHBondContact O-N 2.87Å; L30-L33 PolarHBondContact O-N 3.34Å; L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 2.9Å
31F87.2Confident87Confident158 Ų158109 Ų10969%0.69356%0.559SS**Hα-helixtrans-66.1-41.5177.7-147.6-89.4000111.9L27 F28 V29 F34 S35L27-F31 WeakPolarHBondContact O-CB 3.34Å; L27-F31 PolarHBondContact O-N 2.84Å; F28-F31 PolarHBondContact O-N 2.93Å; V29-F31 VanDerWaalsContact C-N 3.35Å; V29-F31 PolarHBondContact O-N 3.49Å; F31-F34 PolarHBondContact O-N 2.88Å; F31-S35 WeakPolarHBondContact O-CB 3.44Å; F31-S35 PolarHBondContact O-N 3.38Å
32S86.7Confident87.7Confident72 Ų72111.7 Ų111.750%0.50356%0.563SS.*Hα-helixtrans-64-40.2175.1-178.40000112.2F28 V29 S36F28-S32 WeakPolarHBondContact O-CB 3.44Å; F28-S32 PolarHBondContact O-N 2.94Å; V29-S32 PolarHBondContact O-N 3.36Å; S32-S36 PolarHBondContact O-N 3.31Å; S32-S36 PolarHBondContact O-OG 3.04Å
33L90.7Very high88.4Confident98 Ų98111 Ų11151%0.51356%0.559SS.*Hα-helixtrans-67.5-40.6175-75.3166000111.5V29 L30 S36 V37V29-L33 HydrophobicContact CG1-CD1 3.92Å; V29-L33 WeakPolarHBondContact O-CB 3.38Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3.34Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 2.97Å; L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.24Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3Å
34F90.8Very high89Confident161 Ų161112 Ų11271%0.70656%0.559SS**Hα-helixtrans-63.9-41.9175.8-117.7-86.6000111.9L30 F31 S38L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 2.9Å; F31-F34 PolarHBondContact O-N 2.88Å; F34-S38 VanDerWaalsContact O-CB 3.23Å; F34-S38 WeakPolarHBondContact O-CB 3.41Å; F34-S38 PolarHBondContact O-N 3.45Å
35S89Confident89.4Confident75 Ų75113.7 Ų113.752%0.52456%0.558SS.*Hα-helixtrans-64.7-42.7177.5179.70000112F31 S38 L39F31-S35 WeakPolarHBondContact O-CB 3.44Å; F31-S35 PolarHBondContact O-N 3.38Å; S35-S38 PolarHBondContact O-N 3.4Å; S35-L39 WeakPolarHBondContact O-CB 3.44Å; S35-L39 PolarHBondContact O-N 2.93Å
36S90.3Very high89.9Confident52 Ų52106.9 Ų106.936%0.36454%0.541SS..Hα-helixtrans-68.3-40.5178.265.10000112.5S32 L33 L39 L40S32-S36 PolarHBondContact O-N 3.31Å; S32-S36 PolarHBondContact O-OG 3.04Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 2.97Å; S36-L39 PolarHBondContact O-N 2.92Å; S36-L40 WeakPolarHBondContact O-CG 3.24Å; S36-L40 PolarHBondContact O-N 3.38Å
37V92.5Very high90.1Very high78 Ų78102.4 Ų102.447%0.47353%0.531SS..Hα-helixtrans-64.3-43.2174172.10000110.8L33 L39 L40 I41L33-V37 WeakPolarHBondContact O-CB 3.43Å; L33-V37 VanDerWaalsContact O-CG2 3.24Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 3.29Å; V37-L40 PolarHBondContact O-N 2.99Å; V37-I41 HydrophobicContact CG1-CD1 3.74Å; V37-I41 HydrophobicContact CG1-CG1 4.39Å; V37-I41 WeakPolarHBondContact O-CB 3.23Å; V37-I41 VanDerWaalsContact O-CG1 3.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 2.88Å
38S91.5Very high90.2Very high75 Ų75102.4 Ų102.452%0.52453%0.527SS..Hα-helixtrans-60.9-41.8175.9-178.50000112.2F34 S35 I41 F42F34-S38 VanDerWaalsContact O-CB 3.23Å; F34-S38 WeakPolarHBondContact O-CB 3.41Å; F34-S38 PolarHBondContact O-N 3.45Å; S35-S38 PolarHBondContact O-N 3.4Å; S38-I41 PolarHBondContact O-N 3.38Å; S38-F42 WeakPolarHBondContact O-CB 3.17Å; S38-F42 PolarHBondContact O-N 2.88Å
39L92.9Very high90.3Very high104 Ų104103.1 Ų103.155%0.54553%0.525SS..Hα-helixtrans-64.4-43175.9-175.468.4000112S35 S36 V37 I41 F42 I43S35-L39 WeakPolarHBondContact O-CB 3.44Å; S35-L39 PolarHBondContact O-N 2.93Å; S36-L39 PolarHBondContact O-N 2.92Å; V37-L39 VanDerWaalsContact C-N 3.34Å; V37-L39 PolarHBondContact O-N 3.29Å; L39-I41 VanDerWaalsContact C-N 3.35Å; L39-F42 PolarHBondContact O-N 3.24Å; L39-I43 HydrophobicContact CG-CD1 4.05Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 3.25Å
40L93.6Very high90.2Very high117 Ų117104.6 Ų104.661%0.61353%0.525SS*.Hα-helixtrans-63.8-41176.4-74.8170.4000111.9S36 V37 F42 I43 F44S36-L40 WeakPolarHBondContact O-CG 3.24Å; S36-L40 PolarHBondContact O-N 3.38Å; V37-L40 PolarHBondContact O-N 2.99Å; L40-F42 VanDerWaalsContact C-N 3.34Å; L40-I43 PolarHBondContact O-N 3.41Å; L40-F44 WeakPolarHBondContact O-CB 3.23Å; L40-F44 PolarHBondContact O-N 2.86Å
41I93.2Very high89.7Confident84 Ų84105.1 Ų105.143%0.43153%0.528SS..Hα-helixtrans-61.6-45.1173.9-70.8169.1000110V37 S38 L39 F44 Y45V37-I41 HydrophobicContact CG1-CD1 3.74Å; V37-I41 HydrophobicContact CG1-CG1 4.39Å; V37-I41 WeakPolarHBondContact O-CB 3.23Å; V37-I41 VanDerWaalsContact O-CG1 3.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 2.88Å; S38-I41 PolarHBondContact O-N 3.38Å; L39-I41 VanDerWaalsContact C-N 3.35Å; I41-F44 PolarHBondContact O-N 3.48Å; I41-Y45 HydrophobicContact CG2-CD2 3.47Å; I41-Y45 VanDerWaalsContact CG2-CD2 3.47Å; I41-Y45 HydrophobicContact CG2-CE2 3.4Å; I41-Y45 WeakPolarHBondContact O-CD2 3.28Å; I41-Y45 PolarHBondContact O-N 2.81Å
42F93.9Very high89.3Confident146 Ų146102.1 Ų102.164%0.6452%0.519SS*.Hα-helixtrans-61.3-46.5176.8-176.3-94.6000112.1S38 L39 L40 F44 Y45 A46S38-F42 WeakPolarHBondContact O-CB 3.17Å; S38-F42 PolarHBondContact O-N 2.88Å; L39-F42 PolarHBondContact O-N 3.24Å; L40-F42 VanDerWaalsContact C-N 3.34Å; F42-F44 VanDerWaalsContact C-N 3.31Å; F42-F44 PolarHBondContact O-N 3.23Å; F42-Y45 PolarHBondContact O-N 2.86Å; F42-A46 VanDerWaalsContact O-CB 3.26Å; F42-A46 WeakPolarHBondContact O-CB 3.42Å; F42-A46 PolarHBondContact O-N 3.46Å
43I92.5Very high88.8Confident77 Ų77104.7 Ų104.740%0.39552%0.518SS..Hα-helixtrans-61.1-41.5175.8-68.4166.2000110.6L39 L40 A46 N47L39-I43 HydrophobicContact CG-CD1 4.05Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 3.25Å; L40-I43 PolarHBondContact O-N 3.41Å; I43-A46 PolarHBondContact O-N 3.28Å; I43-N47 WeakPolarHBondContact CG2-ND2 3.47Å; I43-N47 VanDerWaalsContact O-CB 3.28Å; I43-N47 WeakPolarHBondContact O-CB 3.09Å; I43-N47 PolarHBondContact O-N 3.42Å; I43-N47 PolarHBondContact O-ND2 2.79Å
44F92.8Very high87.9Confident129 Ų129104.4 Ų104.457%0.56651%0.514SS*.Hα-helixtrans-62.8-46.2176.6-179.8-96.7000111.8L40 I41 F42 N47 K48L40-F44 WeakPolarHBondContact O-CB 3.23Å; L40-F44 PolarHBondContact O-N 2.86Å; I41-F44 PolarHBondContact O-N 3.48Å; F42-F44 VanDerWaalsContact C-N 3.31Å; F42-F44 PolarHBondContact O-N 3.23Å; F44-N47 PolarHBondContact O-N 3.14Å; F44-K48 HydrophobicContact CE1-CD 4.39Å; F44-K48 VanDerWaalsContact O-CB 3.24Å; F44-K48 WeakPolarHBondContact O-CB 3.28Å; F44-K48 PolarHBondContact O-N 3.38Å
45Y91.3Very high86.8Confident143 Ų143103.3 Ų103.356%0.56151%0.506SS*.Hα-helixtrans-69-36.7177.1-79.4-68.9000112.8I41 F42 K48 W49I41-Y45 HydrophobicContact CG2-CD2 3.47Å; I41-Y45 VanDerWaalsContact CG2-CD2 3.47Å; I41-Y45 HydrophobicContact CG2-CE2 3.4Å; I41-Y45 WeakPolarHBondContact O-CD2 3.28Å; I41-Y45 PolarHBondContact O-N 2.81Å; F42-Y45 PolarHBondContact O-N 2.86Å; Y45-K48 PolarHBondContact O-N 3.39Å; Y45-W49 WeakPolarHBondContact O-CB 3.21Å; Y45-W49 PolarHBondContact O-N 3.06Å
46A89.5Confident85.7Confident40 Ų40102.1 Ų102.133%0.33150%0.501SS..Hα-helixtrans-64.4-44.5174.300000111.2F42 I43 W49 F50F42-A46 VanDerWaalsContact O-CB 3.26Å; F42-A46 WeakPolarHBondContact O-CB 3.42Å; F42-A46 PolarHBondContact O-N 3.46Å; I43-A46 PolarHBondContact O-N 3.28Å; A46-W49 PolarHBondContact O-N 2.74Å; A46-F50 VanDerWaalsContact O-CB 3.27Å; A46-F50 WeakPolarHBondContact O-CB 3.26Å; A46-F50 PolarHBondContact O-N 3.27Å
47N88.4Confident84.4Confident90 Ų90103.8 Ų103.848%0.48151%0.506SS..Hα-helixtrans-65.8-41.6174.1-79.3-34.5000111.9I43 F44 W49 F50 L51I43-N47 WeakPolarHBondContact CG2-ND2 3.47Å; I43-N47 VanDerWaalsContact O-CB 3.28Å; I43-N47 WeakPolarHBondContact O-CB 3.09Å; I43-N47 PolarHBondContact O-N 3.42Å; I43-N47 PolarHBondContact O-ND2 2.79Å; F44-N47 PolarHBondContact O-N 3.14Å; N47-W49 VanDerWaalsContact C-N 3.34Å; N47-F50 PolarHBondContact O-N 3.26Å; N47-L51 VanDerWaalsContact O-CB 3.26Å; N47-L51 WeakPolarHBondContact O-CB 3.27Å; N47-L51 WeakPolarHBondContact O-CG 3.26Å; N47-L51 PolarHBondContact O-N 3.4Å
48K87.7Confident82.7Confident106 Ų106105.1 Ų105.146%0.46152%0.518SS..Hα-helixtrans-63.3-41.3175.5-174.1179.9179.2-178.60111F44 Y45 N52F44-K48 HydrophobicContact CE1-CD 4.39Å; F44-K48 VanDerWaalsContact O-CB 3.24Å; F44-K48 WeakPolarHBondContact O-CB 3.28Å; F44-K48 PolarHBondContact O-N 3.38Å; Y45-K48 PolarHBondContact O-N 3.39Å; K48-N52 VanDerWaalsContact O-CB 3.26Å; K48-N52 WeakPolarHBondContact O-CB 3.47Å; K48-N52 PolarHBondContact O-N 3.39Å
49W86.3Confident80.8Confident177 Ų177107.4 Ų107.467%0.6752%0.518SS*.Hα-helixtrans-65.9-45.1175.618081.6000111.3Y45 A46 N47 N52 Y53Y45-W49 WeakPolarHBondContact O-CB 3.21Å; Y45-W49 PolarHBondContact O-N 3.06Å; A46-W49 PolarHBondContact O-N 2.74Å; N47-W49 VanDerWaalsContact C-N 3.34Å; W49-N52 CarbonylContact O-C 3.58Å; W49-N52 PolarHBondContact O-N 2.87Å; W49-Y53 VanDerWaalsContact O-CB 3.28Å; W49-Y53 WeakPolarHBondContact O-CB 3.33Å; W49-Y53 PolarHBondContact O-N 2.87Å
50F83.6Confident78.4Confident110 Ų110108 Ų10848%0.48252%0.52SS..Hα-helixtrans-61-45.7175.4-176.3-97.5000111.8A46 N47 Y53 H54A46-F50 VanDerWaalsContact O-CB 3.27Å; A46-F50 WeakPolarHBondContact O-CB 3.26Å; A46-F50 PolarHBondContact O-N 3.27Å; N47-F50 PolarHBondContact O-N 3.26Å; F50-Y53 PolarHBondContact O-N 2.81Å; F50-H54 AromaticContact CD1-CD2 3.79Å; F50-H54 AromaticContact CE1-CD2 3.41Å; F50-H54 VanDerWaalsContact CE1-CD2 3.41Å; F50-H54 WeakPolarHBondContact CE1-CD2 3.44Å; F50-H54 AromaticContact CE1-NE2 3.66Å; F50-H54 AromaticContact CE2-CD2 3.72Å; F50-H54 AromaticContact CE2-NE2 3.47Å; F50-H54 WeakPolarHBondContact CE2-NE2 3.26Å; F50-H54 AromaticContact CZ-CD2 3.38Å; F50-H54 WeakPolarHBondContact CZ-CD2 3.22Å; F50-H54 AromaticContact CZ-NE2 3.12Å; F50-H54 WeakPolarHBondContact CZ-NE2 3.46Å; F50-H54 WeakPolarHBondContact O-CB 3.41Å; F50-H54 PolarHBondContact O-CD2 2.83Å; F50-H54 PolarHBondContact O-N 2.77Å
51L78.5Confident76Confident115 Ų115105.5 Ų105.560%0.60251%0.512SS*.Hα-helixtrans-64.7-41.7174.6-73.5169.6000111.6N47 H54 Y55N47-L51 VanDerWaalsContact O-CB 3.26Å; N47-L51 WeakPolarHBondContact O-CB 3.27Å; N47-L51 WeakPolarHBondContact O-CG 3.26Å; N47-L51 PolarHBondContact O-N 3.4Å; L51-H54 PolarHBondContact O-N 2.86Å; L51-Y55 WeakPolarHBondContact O-CB 3.24Å; L51-Y55 PolarHBondContact O-N 2.76Å
52N80.3Confident73.9Confident96 Ų96105.7 Ų105.751%0.51353%0.526SS..Hα-helixtrans-68.2-35.3175.6-105.7-9.9000112.2K48 W49 Y55 A56K48-N52 VanDerWaalsContact O-CB 3.26Å; K48-N52 WeakPolarHBondContact O-CB 3.47Å; K48-N52 PolarHBondContact O-N 3.39Å; W49-N52 CarbonylContact O-C 3.58Å; W49-N52 PolarHBondContact O-N 2.87Å; N52-Y55 PolarHBondContact O-N 3.31Å; N52-A56 WeakPolarHBondContact O-CA 3.39Å; N52-A56 WeakPolarHBondContact O-CB 3.15Å; N52-A56 PolarHBondContact O-N 3.34Å
53Y76.6Confident71.5Confident125 Ų125106.5 Ų106.549%0.4953%0.53SS..Hα-helixtrans-66.2-46.9175.1179.7-101.4000110W49 F50 A56 N57W49-Y53 VanDerWaalsContact O-CB 3.28Å; W49-Y53 WeakPolarHBondContact O-CB 3.33Å; W49-Y53 PolarHBondContact O-N 2.87Å; F50-Y53 PolarHBondContact O-N 2.81Å; Y53-A56 PolarHBondContact O-N 2.91Å; Y53-N57 WeakPolarHBondContact CD1-ND2 3.47Å; Y53-N57 WeakPolarHBondContact CE1-ND2 3.47Å; Y53-N57 WeakPolarHBondContact CE2-ND2 3.38Å; Y53-N57 VanDerWaalsContact O-CB 3.28Å; Y53-N57 WeakPolarHBondContact O-CB 3.12Å; Y53-N57 PolarHBondContact O-N 3.35Å; Y53-N57 PolarHBondContact O-ND2 3.37Å
54H71Confident69.1Low93 Ų93107.4 Ų107.443%0.43153%0.532SS..Hα-helixtrans-64.8-39173.5-86.3-71.2000112.7F50 L51 N57 C58F50-H54 AromaticContact CD1-CD2 3.79Å; F50-H54 AromaticContact CE1-CD2 3.41Å; F50-H54 VanDerWaalsContact CE1-CD2 3.41Å; F50-H54 WeakPolarHBondContact CE1-CD2 3.44Å; F50-H54 AromaticContact CE1-NE2 3.66Å; F50-H54 AromaticContact CE2-CD2 3.72Å; F50-H54 AromaticContact CE2-NE2 3.47Å; F50-H54 WeakPolarHBondContact CE2-NE2 3.26Å; F50-H54 AromaticContact CZ-CD2 3.38Å; F50-H54 WeakPolarHBondContact CZ-CD2 3.22Å; F50-H54 AromaticContact CZ-NE2 3.12Å; F50-H54 WeakPolarHBondContact CZ-NE2 3.46Å; F50-H54 WeakPolarHBondContact O-CB 3.41Å; F50-H54 PolarHBondContact O-CD2 2.83Å; F50-H54 PolarHBondContact O-N 2.77Å; L51-H54 PolarHBondContact O-N 2.86Å; H54-N57 PolarHBondContact O-N 3.15Å; H54-C58 WeakPolarHBondContact O-CB 3.15Å; H54-C58 PolarHBondContact O-N 3.45Å
55Y68Low66.7Low137 Ų137107.8 Ų107.854%0.53753%0.534SS..Hα-helixtrans-70.5-40.9176.9-164.3-88.4000111L51 N52 N57 C58 F59L51-Y55 WeakPolarHBondContact O-CB 3.24Å; L51-Y55 PolarHBondContact O-N 2.76Å; N52-Y55 PolarHBondContact O-N 3.31Å; Y55-N57 VanDerWaalsContact C-N 3.3Å; Y55-N57 PolarHBondContact O-N 2.8Å; Y55-C58 PolarHBondContact O-N 2.9Å; Y55-F59 HydrophobicContact CD1-CB 4.06Å; Y55-F59 AromaticContact CD1-CD2 3.78Å; Y55-F59 HydrophobicContact CD1-CD2 3.78Å; Y55-F59 HydrophobicContact CD1-CG 4.18Å; Y55-F59 AromaticContact CD2-CD2 3.43Å; Y55-F59 HydrophobicContact CD2-CD2 3.43Å; Y55-F59 VanDerWaalsContact CD2-CD2 3.43Å; Y55-F59 AromaticContact CD2-CE2 3.51Å; Y55-F59 HydrophobicContact CD2-CE2 3.51Å; Y55-F59 HydrophobicContact CD2-CG 4.49Å; Y55-F59 HydrophobicContact CE1-CB 3.87Å; Y55-F59 AromaticContact CE1-CD2 3.65Å; Y55-F59 HydrophobicContact CE1-CD2 3.65Å; Y55-F59 HydrophobicContact CE1-CE2 4.3Å; Y55-F59 AromaticContact CE1-CG 3.78Å; Y55-F59 HydrophobicContact CE1-CG 3.78Å; Y55-F59 AromaticContact CE2-CD2 3.3Å; Y55-F59 HydrophobicContact CE2-CD2 3.3Å; Y55-F59 AromaticContact CE2-CE2 3.13Å; Y55-F59 HydrophobicContact CE2-CE2 3.13Å; Y55-F59 HydrophobicContact CE2-CG 4.13Å; Y55-F59 AromaticContact CE2-CZ 3.86Å; Y55-F59 HydrophobicContact CE2-CZ 3.86Å; Y55-F59 AromaticContact CG-CD2 3.67Å; Y55-F59 HydrophobicContact CG-CD2 3.67Å; Y55-F59 HydrophobicContact CG-CE2 4.24Å; Y55-F59 AromaticContact CZ-CD2 3.4Å; Y55-F59 AromaticContact CZ-CE2 3.58Å; Y55-F59 AromaticContact CZ-CG 3.75Å; Y55-F59 VanDerWaalsContact O-CA 3.23Å; Y55-F59 WeakPolarHBondContact O-CA 3.28Å; Y55-F59 WeakPolarHBondContact O-CB 2.9Å; Y55-F59 WeakPolarHBondContact O-CD2 3.24Å; Y55-F59 PolarHBondContact O-N 3.17Å
56A65.9Low64.4Low50 Ų50104.5 Ų104.541%0.41353%0.532SS..Hα-helixtrans-68.1-29.3174.500000111.9N52 Y53 F59 M60N52-A56 WeakPolarHBondContact O-CA 3.39Å; N52-A56 WeakPolarHBondContact O-CB 3.15Å; N52-A56 PolarHBondContact O-N 3.34Å; Y53-A56 PolarHBondContact O-N 2.91Å; A56-F59 CarbonylContact O-C 3.45Å; A56-M60 VanDerWaalsContact O-CA 3.24Å; A56-M60 WeakPolarHBondContact O-CA 3.06Å; A56-M60 WeakPolarHBondContact O-CB 3.46Å; A56-M60 WeakPolarHBondContact O-CG 3.23Å; A56-M60 PolarHBondContact O-N 3.19Å
57N61.9Low62Low87 Ų87110.9 Ų110.947%0.46555%0.552SS.*Hα-helixtrans-83.5-32.8173.9-69.2-24.5000112.9Y53 H54 Y55Y53-N57 WeakPolarHBondContact CD1-ND2 3.47Å; Y53-N57 WeakPolarHBondContact CE1-ND2 3.47Å; Y53-N57 WeakPolarHBondContact CE2-ND2 3.38Å; Y53-N57 VanDerWaalsContact O-CB 3.28Å; Y53-N57 WeakPolarHBondContact O-CB 3.12Å; Y53-N57 PolarHBondContact O-N 3.35Å; Y53-N57 PolarHBondContact O-ND2 3.37Å; H54-N57 PolarHBondContact O-N 3.15Å; Y55-N57 VanDerWaalsContact C-N 3.3Å; Y55-N57 PolarHBondContact O-N 2.8Å
58C57.9Low59.8Low106 Ų106111.2 Ų111.272%0.71656%0.557SS**Hα-helixtrans-76.3-34.1172.5-101.20000112.6H54 Y55H54-C58 WeakPolarHBondContact O-CB 3.15Å; H54-C58 PolarHBondContact O-N 3.45Å; Y55-C58 PolarHBondContact O-N 2.9Å
59F50.5Low57.3Low123 Ų123109.6 Ų109.654%0.53955%0.554SS.*  trans-119.137.4179.9-60.6-93.3000110.3Y55 A56 S61Y55-F59 HydrophobicContact CD1-CB 4.06Å; Y55-F59 AromaticContact CD1-CD2 3.78Å; Y55-F59 HydrophobicContact CD1-CD2 3.78Å; Y55-F59 HydrophobicContact CD1-CG 4.18Å; Y55-F59 AromaticContact CD2-CD2 3.43Å; Y55-F59 HydrophobicContact CD2-CD2 3.43Å; Y55-F59 VanDerWaalsContact CD2-CD2 3.43Å; Y55-F59 AromaticContact CD2-CE2 3.51Å; Y55-F59 HydrophobicContact CD2-CE2 3.51Å; Y55-F59 HydrophobicContact CD2-CG 4.49Å; Y55-F59 HydrophobicContact CE1-CB 3.87Å; Y55-F59 AromaticContact CE1-CD2 3.65Å; Y55-F59 HydrophobicContact CE1-CD2 3.65Å; Y55-F59 HydrophobicContact CE1-CE2 4.3Å; Y55-F59 AromaticContact CE1-CG 3.78Å; Y55-F59 HydrophobicContact CE1-CG 3.78Å; Y55-F59 AromaticContact CE2-CD2 3.3Å; Y55-F59 HydrophobicContact CE2-CD2 3.3Å; Y55-F59 AromaticContact CE2-CE2 3.13Å; Y55-F59 HydrophobicContact CE2-CE2 3.13Å; Y55-F59 HydrophobicContact CE2-CG 4.13Å; Y55-F59 AromaticContact CE2-CZ 3.86Å; Y55-F59 HydrophobicContact CE2-CZ 3.86Å; Y55-F59 AromaticContact CG-CD2 3.67Å; Y55-F59 HydrophobicContact CG-CD2 3.67Å; Y55-F59 HydrophobicContact CG-CE2 4.24Å; Y55-F59 AromaticContact CZ-CD2 3.4Å; Y55-F59 AromaticContact CZ-CE2 3.58Å; Y55-F59 AromaticContact CZ-CG 3.75Å; Y55-F59 VanDerWaalsContact O-CA 3.23Å; Y55-F59 WeakPolarHBondContact O-CA 3.28Å; Y55-F59 WeakPolarHBondContact O-CB 2.9Å; Y55-F59 WeakPolarHBondContact O-CD2 3.24Å; Y55-F59 PolarHBondContact O-N 3.17Å; A56-F59 CarbonylContact O-C 3.45Å; F59-S61 PolarHBondContact O-N 3.47Å
60M43.3Very low54.7Low117 Ų117109.1 Ų109.158%0.57657%0.565SS**  trans-58.493.7149.2-91.4-123.7116.100103.3A56 A62 Q64A56-M60 VanDerWaalsContact O-CA 3.24Å; A56-M60 WeakPolarHBondContact O-CA 3.06Å; A56-M60 WeakPolarHBondContact O-CB 3.46Å; A56-M60 WeakPolarHBondContact O-CG 3.23Å; A56-M60 PolarHBondContact O-N 3.19Å; M60-A62 PolarHBondContact O-N 3.44Å; M60-Q64 HydrophobicContact CE-CB 3.96Å; M60-Q64 HydrophobicContact CE-CG 3.61Å
61S43.5Very low52.2Low64 Ų64113.2 Ų113.245%0.44858%0.578SS.*  trans-49.8141-176.9173.60000107.1F59 K63 Q64 F65F59-S61 PolarHBondContact O-N 3.47Å; S61-K63 PolarHBondContact O-N 2.73Å; S61-K63 WeakPolarHBondContact OG-CB 3.5Å; S61-K63 PolarHBondContact OG-N 2.85Å; S61-Q64 PolarHBondContact O-N 3.42Å; S61-F65 PolarHBondContact O-N 3.47Å
62A49.1Very low49.9Very low89 Ų89111.6 Ų111.674%0.73658%0.576SS**Hα-helixtrans-46.1-19.4165.900000112.4M60 F65 S66M60-A62 PolarHBondContact O-N 3.44Å; A62-F65 WeakPolarHBondContact O-CB 3.17Å; A62-S66 PolarHBondContact O-N 3.46Å; A62-S66 VanDerWaalsContact O-N 3.12Å
63K42.7Very low47.7Very low163 Ų163116.4 Ų116.471%0.70959%0.593SS**Hα-helixtrans-77.9-18.5175-144.5175.7-170.6179.20116.3S61 S66S61-K63 PolarHBondContact O-N 2.73Å; S61-K63 WeakPolarHBondContact OG-CB 3.5Å; S61-K63 PolarHBondContact OG-N 2.85Å; K63-S66 WeakPolarHBondContact CA-OG 3.45Å; K63-S66 PolarHBondContact O-OG 2.87Å
64Q42.1Very low45.6Very low95 Ų95116.2 Ų116.244%0.44461%0.605SS.*Hα-helixtrans-90.7-30.4167.6-158.4107.9-8.900110.9M60 S61 S66 K67 T68M60-Q64 HydrophobicContact CE-CB 3.96Å; M60-Q64 HydrophobicContact CE-CG 3.61Å; S61-Q64 PolarHBondContact O-N 3.42Å; Q64-S66 PolarHBondContact O-N 2.76Å; Q64-K67 WeakPolarHBondContact O-CA 3.39Å; Q64-K67 PolarHBondContact O-N 2.88Å; Q64-T68 PolarHBondContact O-N 2.71Å; Q64-T68 PolarHBondContact O-OG1 2.68Å; Q64-T68 VanDerWaalsContact O-OG1 3.14Å
65F43.7Very low43.6Very low137 Ų137117.7 Ų117.760%0.60162%0.616SS**Hα-helixtrans-56.7-36.3165.6-148.1-91.8000110.6S61 A62 K67 D69S61-F65 PolarHBondContact O-N 3.47Å; A62-F65 WeakPolarHBondContact O-CB 3.17Å; F65-K67 VanDerWaalsContact C-N 3.27Å; F65-K67 PolarHBondContact O-N 2.79Å; F65-D69 PolarHBondContact O-N 2.69Å
66S42.7Very low41.8Very low75 Ų75117.6 Ų117.652%0.52463%0.625SS.*Hα-helixtrans-75.8-5.6172.277.60000115.2A62 K63 Q64A62-S66 PolarHBondContact O-N 3.46Å; A62-S66 VanDerWaalsContact O-N 3.12Å; K63-S66 WeakPolarHBondContact CA-OG 3.45Å; K63-S66 PolarHBondContact O-OG 2.87Å; Q64-S66 PolarHBondContact O-N 2.76Å
67K39.1Very low40.3Very low173 Ų173122.7 Ų122.775%0.75265%0.645SS**Hα-helixtrans-111.7-28.4-176.5-133.9-176.8-173.2-174.20112.6Q64 F65Q64-K67 WeakPolarHBondContact O-CA 3.39Å; Q64-K67 PolarHBondContact O-N 2.88Å; F65-K67 VanDerWaalsContact C-N 3.27Å; F65-K67 PolarHBondContact O-N 2.79Å
68T40.7Very low38.9Very low97 Ų97125 Ų12560%0.59566%0.658SS**Hα-helixtrans-80.4-24.5169.747.20000112.3Q64Q64-T68 PolarHBondContact O-N 2.71Å; Q64-T68 PolarHBondContact O-OG1 2.68Å; Q64-T68 VanDerWaalsContact O-OG1 3.14Å
69D36.1Very low37.7Very low73 Ų73123.9 Ų123.939%0.3966%0.655SS.*  trans-123.897.5175.6-63.9-52.5000111.4F65 Y71F65-D69 PolarHBondContact O-N 2.69Å; D69-Y71 HydrophobicContact CB-CD2 4.34Å; D69-Y71 PolarHBondContact O-N 3.43Å
70N32.1Very low37Very low167 Ų167126.5 Ų126.589%0.89367%0.669SS**  trans-60.246.2136.9-84-28.3000110S72N70-S72 VanDerWaalsContact C-N 3.31Å; N70-S72 PolarHBondContact O-N 2.79Å
71Y31.1Very low36.7Very low195 Ų195127 Ų12777%0.76568%0.684SS**  trans-73.2100.8160.6-116.2-104.6000105.1D69 F73D69-Y71 HydrophobicContact CB-CD2 4.34Å; D69-Y71 PolarHBondContact O-N 3.43Å; Y71-F73 PolarHBondContact O-N 3.32Å
72S30.6Very low36.6Very low81 Ų81128.5 Ų128.557%0.56670%0.7SS**  trans-48.188.6159.540.10000109.2N70 V74N70-S72 VanDerWaalsContact C-N 3.31Å; N70-S72 PolarHBondContact O-N 2.79Å; S72-V74 VanDerWaalsContact C-N 3.28Å; S72-V74 PolarHBondContact O-N 2.78Å
73F32.5Very low36.4Very low198 Ų198131.8 Ų131.887%0.86871%0.706SS**THydrogen-bonded Turntrans-57.6101.2159.2-174.4-99.6000105.5Y71Y71-F73 PolarHBondContact O-N 3.32Å
74V34.3Very low36.4Very low120 Ų120128 Ų12873%0.72770%0.7SS**THydrogen-bonded Turntrans7669.6178.3-161.20000115S72S72-V74 VanDerWaalsContact C-N 3.28Å; S72-V74 PolarHBondContact O-N 2.78Å
75N28.1Very low36.4Very low125 Ų125131.6 Ų131.667%0.66872%0.722SS**  trans-169.6110131.6-121.9-12.4000110.8
76N29.7Very low36.6Very low135 Ų135131 Ų13172%0.72272%0.724SS**  trans-179.590.3135.3-93.8-16.4000110N78N76-N78 PolarHBondContact O-N 3.12Å; N76-N78 VanDerWaalsContact O-N 3.15Å
77N34.3Very low36.8Very low156 Ų156134.8 Ų134.883%0.83473%0.73SS**  -59.398.3129.5-72.4-29000105.7
78N32.5Very low38.1Very low137 Ų137131.5 Ų131.573%0.73373%0.73SS**  trans176.3114.2149.9-85.8-24.2000110.9N76N76-N78 PolarHBondContact O-N 3.12Å; N76-N78 VanDerWaalsContact O-N 3.15Å
79A33.6Very low40Very low81 Ų81132.6 Ų132.667%0.66972%0.724SS**  trans67.3116.5139.200000120.9
80H36.3Very low42.6Very low178 Ų178131.2 Ų131.282%0.82472%0.719SS**  trans63.579.9137.3-60.5-65.3000118.4
81S35.9Very low45.6Very low127 Ų127123.4 Ų123.489%0.88868%0.677SS**  trans-121.473.1138.6-51.50000108.2D83S81-D83 PolarHBondContact O-N 3.18Å
82A42.6Very low48.8Very low96 Ų96114.1 Ų114.179%0.79364%0.64SS**  trans-70101.815300000105.7
83D44.2Very low52Low159 Ų159110.3 Ų110.385%0.8561%0.614SS**  trans160.974.8139.5-160.418.8000111S81S81-D83 PolarHBondContact O-N 3.18Å
84S41.9Very low55.2Low83 Ų83101 Ų10158%0.5857%0.573SS**  trans-17193.3141.665.60000107.6I86S84-I86 PolarHBondContact O-N 2.74Å
85N42.2Very low58.2Low170 Ų17095.2 Ų95.291%0.90954%0.538SS*.  trans-67.564.4163.5-86-31.4000108.8K87N85-K87 PolarHBondContact O-N 2.88Å
86I47.4Very low61.4Low125 Ų12589.9 Ų89.964%0.64151%0.509SS*.  trans-64.996.6168-58.3177.3000104.4S84 S88S84-I86 PolarHBondContact O-N 2.74Å; I86-S88 PolarHBondContact O-N 3.43Å
87K47Very low64.6Low154 Ų15483.5 Ų83.567%0.6747%0.474SS*.  trans-52112.3168.2-76.3-177.6178.7177.20106N85 Y89N85-K87 PolarHBondContact O-N 2.88Å; K87-Y89 VanDerWaalsContact C-N 3.31Å; K87-Y89 HydrophobicContact CB-CE2 4.25Å; K87-Y89 WeakPolarHBondContact O-CD2 3.22Å; K87-Y89 PolarHBondContact O-N 3.4Å
88S67.6Low67.4Low105 Ų10577.3 Ų77.373%0.73444%0.443SS*.  trans-64.799.5172.7-1750000106.9I86I86-S88 PolarHBondContact O-N 3.43Å
89Y79.9Confident70.4Confident119 Ų11972.2 Ų72.247%0.46741%0.414SS..  trans-73.7137.1176.3-70.5-75.5000108.6K87K87-Y89 VanDerWaalsContact C-N 3.31Å; K87-Y89 HydrophobicContact CB-CE2 4.25Å; K87-Y89 WeakPolarHBondContact O-CD2 3.22Å; K87-Y89 PolarHBondContact O-N 3.4Å
90P91.1Very high73.4Confident44 Ų4468.3 Ų68.329%0.28638%0.382SS..  trans-63.2151.8-173.624.1-33.2000111.8P154 L155 I176 F293P90-P154 WeakPolarHBondContact O-CA 3.14Å; P90-L155 PolarHBondContact O-N 3.44Å; P90-I176 HydrophobicContact CB-CD1 4.11Å; P90-F293 HydrophobicContact CB-CE2 3.8Å; P90-F293 HydrophobicContact CB-CZ 3.99Å; P90-F293 HydrophobicContact CG-CE2 3.46Å; P90-F293 VanDerWaalsContact CG-CE2 3.46Å; P90-F293 HydrophobicContact CG-CZ 3.67Å; P90-F293 WeakPolarHBondContact O-CZ 3.41Å
91V95.6Very high76.1Confident3 Ų360.6 Ų60.62%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-119.6125.3168.3176.20000108.9H153 L155 I157 F173 P175 I176V91-H153 WeakPolarHBondContact CG2-CD2 3.49Å; V91-H153 VanDerWaalsContact CG2-NE2 3.26Å; V91-H153 WeakPolarHBondContact CG2-NE2 3.03Å; V91-L155 CarbonylContact C-O 3.59Å; V91-L155 VanDerWaalsContact CA-O 3.29Å; V91-L155 WeakPolarHBondContact CA-O 2.95Å; V91-L155 HydrophobicContact CG1-CB 4.17Å; V91-L155 HydrophobicContact CG1-CD2 4.12Å; V91-L155 HydrophobicContact CG1-CG 4.18Å; V91-L155 HydrophobicContact CG2-CB 3.95Å; V91-I157 HydrophobicContact CG1-CG2 4.33Å; V91-F173 HydrophobicContact CB-CE1 4.28Å; V91-F173 HydrophobicContact CB-CE2 4.35Å; V91-F173 HydrophobicContact CB-CZ 3.52Å; V91-F173 HydrophobicContact CG1-CE1 4.39Å; V91-F173 HydrophobicContact CG1-CZ 3.99Å; V91-F173 HydrophobicContact CG2-CE2 3.98Å; V91-F173 HydrophobicContact CG2-CZ 3.47Å; V91-F173 VanDerWaalsContact CG2-CZ 3.47Å; V91-P175 HydrophobicContact CB-CB 4.47Å; V91-P175 HydrophobicContact CG1-CB 4.41Å; V91-P175 CarbonylContact O-C 3.48Å; V91-P175 WeakPolarHBondContact O-CA 3.45Å; V91-I176 PolarHBondContact O-N 2.86Å
92V97.8Very high78.8Confident0 Ų054.9 Ų54.90%031%0.31CS..EExtended strand (participates in β ladder)trans-100124.6176174.60000108.6L155 I156 I157 I176 I178 L290 F293V92-L155 PolarHBondContact N-O 2.99Å; V92-I156 HydrophobicContact CB-CG1 4.07Å; V92-I156 WeakPolarHBondContact O-CA 3.47Å; V92-I157 PolarHBondContact O-N 3.16Å; V92-I176 CarbonylContact C-O 3.57Å; V92-I176 VanDerWaalsContact CA-O 3.26Å; V92-I176 WeakPolarHBondContact CA-O 3.5Å; V92-I176 HydrophobicContact CG2-CB 4.3Å; V92-I178 HydrophobicContact CG1-CD1 3.67Å; V92-I178 HydrophobicContact CG1-CG1 3.7Å; V92-I178 HydrophobicContact CG1-CG2 4.33Å; V92-L290 HydrophobicContact CG2-CD1 3.99Å; V92-F293 HydrophobicContact CG2-CD1 4.49Å; V92-F293 HydrophobicContact CG2-CD2 3.75Å; V92-F293 HydrophobicContact CG2-CE1 4.24Å; V92-F293 HydrophobicContact CG2-CE2 3.45Å; V92-F293 VanDerWaalsContact CG2-CE2 3.45Å; V92-F293 HydrophobicContact CG2-CG 4.25Å; V92-F293 HydrophobicContact CG2-CZ 3.71Å
93V98Very high81.1Confident1 Ų151.3 Ų51.31%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-100.3115.9172.91770000108.6N95 I157 F161 P175 I176 Y177 I178V93-N95 HydrophobicContact CG1-CB 4.38Å; V93-I157 HydrophobicContact CB-CG2 4.23Å; V93-I157 HydrophobicContact CG1-CG2 4.43Å; V93-I157 HydrophobicContact CG2-CG2 3.61Å; V93-F161 HydrophobicContact CG1-CE2 3.91Å; V93-F161 HydrophobicContact CG1-CZ 3.76Å; V93-P175 HydrophobicContact CG2-CB 3.57Å; V93-P175 HydrophobicContact CG2-CG 3.93Å; V93-I176 PolarHBondContact N-O 3.14Å; V93-Y177 HydrophobicContact CB-CD1 3.83Å; V93-Y177 HydrophobicContact CB-CE1 3.76Å; V93-Y177 HydrophobicContact CB-CG 4.24Å; V93-Y177 HydrophobicContact CG1-CD1 3.64Å; V93-Y177 HydrophobicContact CG1-CE1 3.23Å; V93-Y177 WeakPolarHBondContact O-CA 3.47Å; V93-I178 PolarHBondContact O-N 2.97Å
94Y98.3Very high83.4Confident2 Ų244 Ų441%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-110.288.6170.9-177.6-151.9000109.6R96 S102 L105 I106 I157 H158 G159 I178Y94-R96 VanDerWaalsContact C-N 3.26Å; Y94-R96 HydrophobicContact CD1-CB 4.48Å; Y94-R96 HydrophobicContact CD1-CG 3.36Å; Y94-R96 HydrophobicContact CD2-CB 4.33Å; Y94-R96 HydrophobicContact CD2-CG 3.73Å; Y94-R96 HydrophobicContact CE1-CB 4.09Å; Y94-R96 HydrophobicContact CE1-CG 3.35Å; Y94-R96 HydrophobicContact CE2-CB 3.95Å; Y94-R96 HydrophobicContact CE2-CG 3.75Å; Y94-R96 HydrophobicContact CG-CG 3.54Å; Y94-R96 WeakPolarHBondContact O-CG 3.34Å; Y94-R96 PolarHBondContact O-N 3.04Å; Y94-S102 VanDerWaalsContact OH-CA 3.32Å; Y94-S102 WeakPolarHBondContact OH-CA 3.45Å; Y94-S102 VanDerWaalsContact OH-CB 3.27Å; Y94-S102 WeakPolarHBondContact OH-CB 3.41Å; Y94-L105 HydrophobicContact CD1-CD2 3.79Å; Y94-L105 HydrophobicContact CE1-CB 4.19Å; Y94-L105 HydrophobicContact CE1-CD2 3.4Å; Y94-L105 HydrophobicContact CE1-CG 4.29Å; Y94-L105 HydrophobicContact CE2-CD2 4.44Å; Y94-L105 HydrophobicContact CG-CD2 4.49Å; Y94-I106 HydrophobicContact CD1-CD1 4Å; Y94-I106 HydrophobicContact CD1-CG1 4.39Å; Y94-I106 HydrophobicContact CE1-CD1 4.49Å; Y94-I106 HydrophobicContact CE1-CG1 4.41Å; Y94-I157 PolarHBondContact N-O 3.18Å; Y94-H158 HydrophobicContact CD1-CB 4.33Å; Y94-H158 WeakPolarHBondContact O-CA 3.34Å; Y94-G159 PolarHBondContact O-N 2.79Å; Y94-I178 HydrophobicContact CD2-CG1 4.31Å; Y94-I178 WeakPolarHBondContact CD2-O 3.42Å; Y94-I178 HydrophobicContact CG-CG1 4.26Å
95N97.3Very high85.9Confident0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-81.672.6178.867.8-59.3000110.6V93 I97 G159 F161 N179 Y270V93-N95 HydrophobicContact CG1-CB 4.38Å; N95-I97 PolarHBondContact O-N 2.97Å; N95-G159 CarbonylContact C-O 3.54Å; N95-F161 HydrophobicContact CB-CD2 3.75Å; N95-F161 HydrophobicContact CB-CE1 4.3Å; N95-F161 HydrophobicContact CB-CE2 3.51Å; N95-F161 HydrophobicContact CB-CG 4.24Å; N95-F161 HydrophobicContact CB-CZ 3.82Å; N95-F161 WeakPolarHBondContact CB-O 2.93Å; N95-F161 PolarHBondContact ND2-O 2.87Å; N95-N179 VanDerWaalsContact CG-ND2 3.33Å; N95-N179 PolarHBondContact ND2-ND2 3.14Å; N95-N179 PolarHBondContact O-ND2 3.35Å; N95-N179 PolarHBondContact OD1-ND2 3.21Å; N95-Y270 PolarHBondContact ND2-OH 2.92Å; N95-Y270 WeakPolarHBondContact OD1-CE1 3.43Å; N95-Y270 PolarHBondContact OD1-OH 2.9Å; N95-Y270 VanDerWaalsContact OD1-OH 3.13Å
96R95.9Very high88.4Confident13 Ų1332.3 Ų32.35%0.04917%0.171CC..PPolyproline II helixtrans-64.4129.2-161.4-36.9-177.1-74.4140.90112.9Y94 S102 H124 H158 G159 H160 F242Y94-R96 VanDerWaalsContact C-N 3.26Å; Y94-R96 HydrophobicContact CD1-CB 4.48Å; Y94-R96 HydrophobicContact CD1-CG 3.36Å; Y94-R96 HydrophobicContact CD2-CB 4.33Å; Y94-R96 HydrophobicContact CD2-CG 3.73Å; Y94-R96 HydrophobicContact CE1-CB 4.09Å; Y94-R96 HydrophobicContact CE1-CG 3.35Å; Y94-R96 HydrophobicContact CE2-CB 3.95Å; Y94-R96 HydrophobicContact CE2-CG 3.75Å; Y94-R96 HydrophobicContact CG-CG 3.54Å; Y94-R96 WeakPolarHBondContact O-CG 3.34Å; Y94-R96 PolarHBondContact O-N 3.04Å; R96-S102 PolarHBondContact NH1-O 2.83Å; R96-H124 PolarHBondContact NH2-CD2 3.43Å; R96-H124 PolarHBondContact NH2-NE2 2.82Å; R96-H158 WeakPolarHBondContact CD-ND1 3.48Å; R96-H158 HydrophobicContact CG-CB 4.18Å; R96-H158 PolarHBondContact NE-ND1 3.06Å; R96-H158 PolarHBondContact NH2-ND1 3.46Å; R96-G159 PolarHBondContact N-O 3.08Å; R96-H160 PolarHBondContact O-ND1 3.1Å; R96-F242 VanDerWaalsContact O-CE1 3.27Å; R96-F242 WeakPolarHBondContact O-CE1 3.5Å
97I96.6Very high90.6Very high0 Ų028.2 Ų28.20%015%0.15CC..PPolyproline II helixtrans-75.4139.6169.7-65.5164.3000110.2N95 T100 I181 V238 Q239 F242 F243N95-I97 PolarHBondContact O-N 2.97Å; I97-T100 HydrophobicContact CB-CG2 3.81Å; I97-T100 HydrophobicContact CG2-CG2 3.55Å; I97-T100 PolarHBondContact O-OG1 3.44Å; I97-I181 HydrophobicContact CD1-CG2 3.96Å; I97-V238 HydrophobicContact CG2-CG1 3.99Å; I97-Q239 HydrophobicContact CD1-CB 4Å; I97-Q239 HydrophobicContact CD1-CG 4.28Å; I97-Q239 HydrophobicContact CG2-CG 4.19Å; I97-F242 HydrophobicContact CD1-CB 4.14Å; I97-F242 HydrophobicContact CG1-CB 3.8Å; I97-F242 HydrophobicContact CG1-CD1 3.62Å; I97-F242 HydrophobicContact CG1-CE1 4.28Å; I97-F242 HydrophobicContact CG1-CG 3.74Å; I97-F243 HydrophobicContact CD1-CD2 4.17Å; I97-F243 HydrophobicContact CD1-CE2 3.45Å; I97-F243 VanDerWaalsContact CD1-CE2 3.45Å; I97-F243 HydrophobicContact CD1-CZ 4.22Å
98P94.6Very high92.7Very high27 Ų2720.9 Ų20.918%0.17512%0.118CC..THydrogen-bonded Turntrans-60.7138.8172.8-25.235.1000112.7T100 F242P98-T100 PolarHBondContact O-N 3.01Å; P98-F242 HydrophobicContact CG-CZ 4.44Å
99K94.9Very high94Very high29 Ų2916 Ų1613%0.1268%0.084CC..THydrogen-bonded Turntrans65.927.1175.3-56.5-62.5-62-176.80115.7R182 R187 S190 Y191 F194 T313K99-R182 VanDerWaalsContact O-CD 3.26Å; K99-R182 WeakPolarHBondContact O-CD 3.21Å; K99-R187 HydrophobicContact CB-CG 3.97Å; K99-S190 WeakPolarHBondContact CE-OG 3.23Å; K99-S190 PolarHBondContact NZ-OG 3.24Å; K99-Y191 HydrophobicContact CG-CD2 4.09Å; K99-F194 HydrophobicContact CD-CD1 4.42Å; K99-F194 HydrophobicContact CD-CG 4.4Å; K99-T313 PolarHBondContact NZ-OG1 3.21Å
100T95.8Very high94.7Very high0 Ų015.3 Ų15.30%08%0.082CC..SBendtrans-113.729.8176.4640000114.6I97 P98 M180 R182 T276I97-T100 HydrophobicContact CB-CG2 3.81Å; I97-T100 HydrophobicContact CG2-CG2 3.55Å; I97-T100 PolarHBondContact O-OG1 3.44Å; P98-T100 PolarHBondContact O-N 3.01Å; T100-M180 WeakPolarHBondContact CB-O 3.31Å; T100-M180 WeakPolarHBondContact O-CB 3.39Å; T100-M180 WeakPolarHBondContact O-CE 3.31Å; T100-M180 PolarHBondContact OG1-O 3.04Å; T100-R182 HydrophobicContact CG2-CB 3.93Å; T100-T276 VanDerWaalsContact CA-OG1 3.22Å; T100-T276 WeakPolarHBondContact CA-OG1 3.38Å; T100-T276 PolarHBondContact O-OG1 2.99Å
101G92.7Very high94.8Very high15 Ų1517.1 Ų17.116%0.1559%0.086CC..SBendtrans83.39.9178.400000115.4T103 S104 L105G101-T103 PolarHBondContact O-N 2.76Å; G101-S104 WeakPolarHBondContact O-CB 3.46Å; G101-S104 PolarHBondContact O-N 3.47Å; G101-S104 PolarHBondContact O-OG 3.09Å; G101-L105 PolarHBondContact O-N 3.25Å; G101-L105 VanDerWaalsContact O-N 3.11Å
102S92.9Very high94.6Very high7 Ų717.1 Ų17.15%0.0499%0.086CC..Hα-helixtrans-67.5-21.1-171.258.30000117.1Y94 R96 I106Y94-S102 VanDerWaalsContact OH-CA 3.32Å; Y94-S102 WeakPolarHBondContact OH-CA 3.45Å; Y94-S102 VanDerWaalsContact OH-CB 3.27Å; Y94-S102 WeakPolarHBondContact OH-CB 3.41Å; R96-S102 PolarHBondContact NH1-O 2.83Å; S102-I106 VanDerWaalsContact O-CG1 3.29Å; S102-I106 WeakPolarHBondContact O-CG1 3.3Å
103T91.7Very high94.5Very high22 Ų2218.8 Ų18.814%0.1359%0.094CC..Hα-helixtrans-75.1-41.3169.5-64.30000110.1G101 I106 N107 Y201 R311G101-T103 PolarHBondContact O-N 2.76Å; T103-I106 PolarHBondContact O-N 3.44Å; T103-N107 PolarHBondContact O-N 3.45Å; T103-Y201 HydrophobicContact CG2-CD1 4.17Å; T103-Y201 HydrophobicContact CG2-CE1 4.08Å; T103-Y201 HydrophobicContact CG2-CE2 4.49Å; T103-Y201 HydrophobicContact CG2-CG 4.44Å; T103-R311 HydrophobicContact CG2-CB 4.3Å; T103-R311 PolarHBondContact OG1-NH1 2.84Å
104S92.1Very high94.2Very high4 Ų425.9 Ų25.93%0.02813%0.128CC..Hα-helixtrans-64.2-45.4-178.6-32.40000111.7G101 I106 N107 L108 L310G101-S104 WeakPolarHBondContact O-CB 3.46Å; G101-S104 PolarHBondContact O-N 3.47Å; G101-S104 PolarHBondContact O-OG 3.09Å; S104-I106 VanDerWaalsContact C-N 3.31Å; S104-I106 PolarHBondContact O-N 3.28Å; S104-N107 PolarHBondContact O-N 3.08Å; S104-L108 PolarHBondContact O-N 3Å; S104-L310 VanDerWaalsContact CB-CD2 3.45Å; S104-L310 WeakPolarHBondContact OG-CA 3.33Å; S104-L310 WeakPolarHBondContact OG-CD2 3.47Å
105L94.8Very high93.9Very high1 Ų129.7 Ų29.71%0.00515%0.146CC..Hα-helixtrans-61.1-40.3177.7-17071.2000112.3Y94 G101 L108 V109 I178 M180 F279 F282 V283 L286 F294Y94-L105 HydrophobicContact CD1-CD2 3.79Å; Y94-L105 HydrophobicContact CE1-CB 4.19Å; Y94-L105 HydrophobicContact CE1-CD2 3.4Å; Y94-L105 HydrophobicContact CE1-CG 4.29Å; Y94-L105 HydrophobicContact CE2-CD2 4.44Å; Y94-L105 HydrophobicContact CG-CD2 4.49Å; G101-L105 PolarHBondContact O-N 3.25Å; G101-L105 VanDerWaalsContact O-N 3.11Å; L105-L108 HydrophobicContact CD1-CD2 3.96Å; L105-L108 WeakPolarHBondContact O-CB 3.33Å; L105-L108 PolarHBondContact O-N 3Å; L105-V109 WeakPolarHBondContact O-CG2 3.26Å; L105-V109 PolarHBondContact O-N 3.18Å; L105-V109 VanDerWaalsContact O-N 3.07Å; L105-I178 HydrophobicContact CD2-CD1 4.48Å; L105-M180 HydrophobicContact CB-SD 4.44Å; L105-M180 HydrophobicContact CD2-SD 4.26Å; L105-F279 HydrophobicContact CB-CE2 4.12Å; L105-F279 HydrophobicContact CD1-CE2 4.03Å; L105-F279 HydrophobicContact CD1-CZ 4.28Å; L105-F282 HydrophobicContact CD1-CD1 4.41Å; L105-F282 HydrophobicContact CD1-CE1 4.05Å; L105-F282 HydrophobicContact CD2-CE1 3.98Å; L105-V283 HydrophobicContact CD1-CG2 4.42Å; L105-L286 HydrophobicContact CD1-CD1 3.73Å; L105-F294 HydrophobicContact CD1-CE1 4.47Å
106I94.7Very high93.6Very high7 Ų733.2 Ų33.24%0.03616%0.164CC..Hα-helixtrans-73-36.1-179.5-66.6-64.6000111.3Y94 S102 T103 S104 L108 V109 Y110 H158Y94-I106 HydrophobicContact CD1-CD1 4Å; Y94-I106 HydrophobicContact CD1-CG1 4.39Å; Y94-I106 HydrophobicContact CE1-CD1 4.49Å; Y94-I106 HydrophobicContact CE1-CG1 4.41Å; S102-I106 VanDerWaalsContact O-CG1 3.29Å; S102-I106 WeakPolarHBondContact O-CG1 3.3Å; T103-I106 PolarHBondContact O-N 3.44Å; S104-I106 VanDerWaalsContact C-N 3.31Å; S104-I106 PolarHBondContact O-N 3.28Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-V109 WeakPolarHBondContact O-CB 3.47Å; I106-V109 PolarHBondContact O-N 3.3Å; I106-Y110 HydrophobicContact CG2-CD2 3.86Å; I106-Y110 HydrophobicContact CG2-CE2 3.33Å; I106-Y110 WeakPolarHBondContact O-CD2 3.45Å; I106-Y110 PolarHBondContact O-N 2.9Å; I106-H158 HydrophobicContact CD1-CB 3.84Å; I106-H158 VanDerWaalsContact CD1-CG 3.48Å
107N92.1Very high93.3Very high39 Ų3942.5 Ų42.521%0.20920%0.201CC..Hα-helixtrans-65.5-37.1173.2-71.6-5.7000112.1T103 S104 Y110 Q111T103-N107 PolarHBondContact O-N 3.45Å; S104-N107 PolarHBondContact O-N 3.08Å; N107-Y110 PolarHBondContact O-N 3.38Å; N107-Q111 WeakPolarHBondContact O-CG 3.29Å; N107-Q111 PolarHBondContact O-N 3.25Å; N107-Q111 VanDerWaalsContact O-N 3.08Å
108L92.8Very high92.9Very high0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-54.9-50.3167.6160.272.9000111.4S104 L105 I106 Y110 Q111 L112 F279 V283 A297 L300 W308S104-L108 PolarHBondContact O-N 3Å; L105-L108 HydrophobicContact CD1-CD2 3.96Å; L105-L108 WeakPolarHBondContact O-CB 3.33Å; L105-L108 PolarHBondContact O-N 3Å; I106-L108 VanDerWaalsContact C-N 3.34Å; L108-Y110 VanDerWaalsContact C-N 3.34Å; L108-Y110 PolarHBondContact O-N 2.93Å; L108-Q111 PolarHBondContact O-N 2.97Å; L108-L112 HydrophobicContact CD1-CD1 3.67Å; L108-L112 HydrophobicContact CD1-CD2 4.46Å; L108-L112 HydrophobicContact CD1-CG 3.91Å; L108-L112 HydrophobicContact CG-CD1 3.99Å; L108-L112 WeakPolarHBondContact O-CG 3.21Å; L108-L112 PolarHBondContact O-N 2.69Å; L108-F279 HydrophobicContact CD2-CZ 4.48Å; L108-V283 HydrophobicContact CD2-CB 4.33Å; L108-V283 HydrophobicContact CD2-CG1 3.73Å; L108-V283 HydrophobicContact CD2-CG2 3.59Å; L108-A297 HydrophobicContact CD1-CB 4.09Å; L108-L300 HydrophobicContact CD1-CD2 4.18Å; L108-W308 HydrophobicContact CB-CE3 3.91Å; L108-W308 HydrophobicContact CB-CH2 3.62Å; L108-W308 HydrophobicContact CB-CZ2 4.38Å; L108-W308 HydrophobicContact CB-CZ3 3.35Å; L108-W308 HydrophobicContact CD1-CH2 3Å; L108-W308 HydrophobicContact CD1-CZ2 3.31Å; L108-W308 HydrophobicContact CD1-CZ3 3.76Å; L108-W308 HydrophobicContact CG-CH2 3.85Å; L108-W308 HydrophobicContact CG-CZ2 4.33Å; L108-W308 HydrophobicContact CG-CZ3 4.12Å
109V94.7Very high92.7Very high3 Ų350.8 Ų50.82%0.01824%0.241CC..Hα-helixtrans-58.6-45.2179.1168.50000111.5L105 I106 Q111 L112 I113 V122 I156 F294L105-V109 WeakPolarHBondContact O-CG2 3.26Å; L105-V109 PolarHBondContact O-N 3.18Å; L105-V109 VanDerWaalsContact O-N 3.07Å; I106-V109 WeakPolarHBondContact O-CB 3.47Å; I106-V109 PolarHBondContact O-N 3.3Å; V109-Q111 PolarHBondContact O-N 3.31Å; V109-L112 PolarHBondContact O-N 2.85Å; V109-I113 HydrophobicContact CG1-CD1 3.79Å; V109-I113 HydrophobicContact CG1-CG1 4.5Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.13Å; V109-I113 PolarHBondContact O-N 3.18Å; V109-V122 HydrophobicContact CG1-CG2 3.69Å; V109-I156 HydrophobicContact CB-CD1 4.39Å; V109-I156 HydrophobicContact CG1-CD1 3.47Å; V109-I156 VanDerWaalsContact CG1-CD1 3.47Å; V109-I156 HydrophobicContact CG2-CD1 3.95Å; V109-F294 HydrophobicContact CG2-CE1 3.69Å; V109-F294 HydrophobicContact CG2-CZ 4.06Å
110Y94.1Very high92.6Very high105 Ų10550 Ų5041%0.41224%0.239SC..Hα-helixtrans-60.6-43.3178.1-72.2-53.4000112.7I106 N107 L108 I113 E114 V122I106-Y110 HydrophobicContact CG2-CD2 3.86Å; I106-Y110 HydrophobicContact CG2-CE2 3.33Å; I106-Y110 WeakPolarHBondContact O-CD2 3.45Å; I106-Y110 PolarHBondContact O-N 2.9Å; N107-Y110 PolarHBondContact O-N 3.38Å; L108-Y110 VanDerWaalsContact C-N 3.34Å; L108-Y110 PolarHBondContact O-N 2.93Å; Y110-I113 PolarHBondContact O-N 2.85Å; Y110-E114 PolarHBondContact O-N 2.9Å; Y110-E114 VanDerWaalsContact O-N 3.08Å; Y110-V122 HydrophobicContact CD1-CG2 4.37Å; Y110-V122 HydrophobicContact CE1-CB 3.72Å; Y110-V122 HydrophobicContact CE1-CG1 3.93Å; Y110-V122 HydrophobicContact CE1-CG2 4.01Å
111Q92.2Very high92.6Very high82 Ų8253.6 Ų53.638%0.38326%0.255SS..Hα-helixtrans-66.1-37.9177.5-70.4176.82.400112.3N107 L108 V109 I113 E114 E115 L300 W308N107-Q111 WeakPolarHBondContact O-CG 3.29Å; N107-Q111 PolarHBondContact O-N 3.25Å; N107-Q111 VanDerWaalsContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 2.97Å; V109-Q111 PolarHBondContact O-N 3.31Å; Q111-I113 VanDerWaalsContact C-N 3.33Å; Q111-I113 PolarHBondContact O-N 3.11Å; Q111-E114 PolarHBondContact O-N 3.27Å; Q111-E115 WeakPolarHBondContact O-CG 3.48Å; Q111-E115 PolarHBondContact O-N 3.41Å; Q111-L300 HydrophobicContact CB-CD2 3.61Å; Q111-W308 VanDerWaalsContact OE1-CZ3 3.31Å
112L93.4Very high92.8Very high2 Ų254.2 Ų54.21%0.0126%0.256CS..Hα-helixtrans-66.2-36.6176-70.3173.1000112.8L108 V109 E114 N116 F294 A297 L300L108-L112 HydrophobicContact CD1-CD1 3.67Å; L108-L112 HydrophobicContact CD1-CD2 4.46Å; L108-L112 HydrophobicContact CD1-CG 3.91Å; L108-L112 HydrophobicContact CG-CD1 3.99Å; L108-L112 WeakPolarHBondContact O-CG 3.21Å; L108-L112 PolarHBondContact O-N 2.69Å; V109-L112 PolarHBondContact O-N 2.85Å; L112-E114 VanDerWaalsContact C-N 3.31Å; L112-N116 VanDerWaalsContact O-CB 3.23Å; L112-N116 WeakPolarHBondContact O-CB 3.29Å; L112-N116 PolarHBondContact O-N 2.88Å; L112-N116 PolarHBondContact O-ND2 2.84Å; L112-F294 HydrophobicContact CD1-CD1 4.16Å; L112-A297 HydrophobicContact CD1-CB 3.87Å; L112-A297 HydrophobicContact CD2-CB 4.36Å; L112-L300 HydrophobicContact CD2-CB 4.42Å; L112-L300 HydrophobicContact CD2-CD2 3.77Å; L112-L300 HydrophobicContact CG-CD2 4.02Å
113I93.8Very high93Very high35 Ų3555.8 Ų55.818%0.17926%0.264CS..Hα-helixtrans-63-43.7174.6-71.1165.2000109.9V109 Y110 Q111 Y117 S118 T120 V122V109-I113 HydrophobicContact CG1-CD1 3.79Å; V109-I113 HydrophobicContact CG1-CG1 4.5Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.13Å; V109-I113 PolarHBondContact O-N 3.18Å; Y110-I113 PolarHBondContact O-N 2.85Å; Q111-I113 VanDerWaalsContact C-N 3.33Å; Q111-I113 PolarHBondContact O-N 3.11Å; I113-Y117 WeakPolarHBondContact O-CA 3.39Å; I113-Y117 PolarHBondContact O-N 3.36Å; I113-Y117 VanDerWaalsContact O-N 3.09Å; I113-S118 PolarHBondContact O-N 3.21Å; I113-T120 HydrophobicContact CD1-CG2 4.13Å; I113-V122 HydrophobicContact CD1-CG2 3.44Å; I113-V122 VanDerWaalsContact CD1-CG2 3.44Å
114E92.7Very high93.1Very high151 Ų15159.4 Ų59.471%0.70628%0.279SS*.Hα-helixtrans-64.8-49.8177.3-172.2176-174.900112.3Y110 Q111 L112 Y117Y110-E114 PolarHBondContact O-N 2.9Å; Y110-E114 VanDerWaalsContact O-N 3.08Å; Q111-E114 PolarHBondContact O-N 3.27Å; L112-E114 VanDerWaalsContact C-N 3.31Å; E114-Y117 PolarHBondContact O-N 2.98Å
115E91.6Very high93.2Very high82 Ų8261 Ų6138%0.38329%0.287SS..Hα-helixtrans-67.5-36.9-178.2-73.8-165.2159.800113.3Q111 L300 R303Q111-E115 WeakPolarHBondContact O-CG 3.48Å; Q111-E115 PolarHBondContact O-N 3.41Å; E115-L300 WeakPolarHBondContact OE1-CD1 3.38Å; E115-R303 VanDerWaalsContact CD-NH2 3.29Å; E115-R303 IonicContact OE1-CZ 2.67Å; E115-R303 IonicContact OE1-NH1 2.74Å; E115-R303 PolarHBondContact OE1-NH1 3.31Å; E115-R303 IonicContact OE1-NH2 3.73Å; E115-R303 PolarHBondContact OE1-NH2 3.35Å; E115-R303 IonicContact OE2-CZ 2.7Å; E115-R303 IonicContact OE2-NH1 3.88Å; E115-R303 IonicContact OE2-NH2 3.15Å; E115-R303 PolarHBondContact OE2-NH2 3.04Å
116N91.8Very high92.9Very high74 Ų7467.2 Ų67.240%0.39632%0.32SS..THydrogen-bonded Turntrans-92.4-0.7-177.8-64.8-40.5000113.5L112 S118 T295L112-N116 VanDerWaalsContact O-CB 3.23Å; L112-N116 WeakPolarHBondContact O-CB 3.29Å; L112-N116 PolarHBondContact O-N 2.88Å; L112-N116 PolarHBondContact O-ND2 2.84Å; N116-S118 PolarHBondContact O-N 2.84Å; N116-T295 PolarHBondContact ND2-O 3.45Å
117Y89Confident92.4Very high207 Ų20768.4 Ų68.481%0.81233%0.326SS*.THydrogen-bonded Turntrans49.442.2-169.3-60.2-83.8000112.6I113 E114I113-Y117 WeakPolarHBondContact O-CA 3.39Å; I113-Y117 PolarHBondContact O-N 3.36Å; I113-Y117 VanDerWaalsContact O-N 3.09Å; E114-Y117 PolarHBondContact O-N 2.98Å
118S88.2Confident91.1Very high39 Ų3972.7 Ų72.727%0.27336%0.359SS..  trans-74.4143.8-175.4-176.10000111.9I113 N116 T120I113-S118 PolarHBondContact O-N 3.21Å; N116-S118 PolarHBondContact O-N 2.84Å; S118-T120 PolarHBondContact O-N 2.74Å; S118-T120 PolarHBondContact OG-N 3.01Å; S118-T120 PolarHBondContact OG-OG1 2.73Å
119H90.1Very high89.5Confident163 Ų16375 Ų7576%0.75538%0.375SS*.  trans-86.513.1172.7-60.2-55.1000113.5H121H119-H121 PolarHBondContact O-N 3.27Å
120T94.1Very high87.8Confident11 Ų1180.7 Ų80.77%0.06742%0.415CS..  trans-65.4126.8176-680000111.1I113 S118 P154 I156 F293I113-T120 HydrophobicContact CD1-CG2 4.13Å; S118-T120 PolarHBondContact O-N 2.74Å; S118-T120 PolarHBondContact OG-N 3.01Å; S118-T120 PolarHBondContact OG-OG1 2.73Å; T120-P154 WeakPolarHBondContact CA-O 3.34Å; T120-I156 HydrophobicContact CG2-CD1 4.19Å; T120-I156 HydrophobicContact CG2-CG1 4.22Å; T120-F293 HydrophobicContact CG2-CD1 3.76Å; T120-F293 HydrophobicContact CG2-CE1 3.87Å
121H95.9Very high86.8Confident76 Ų7682.3 Ų82.335%0.35242%0.424SS..EExtended strand (participates in β ladder)trans-84.4148.3169.8-62.390.9000110.8H119 M152 P154 L155 I156H119-H121 PolarHBondContact O-N 3.27Å; H121-M152 WeakPolarHBondContact CB-O 3.32Å; H121-M152 HydrophobicContact CB-SD 4.14Å; H121-M152 VanDerWaalsContact CD2-SD 3.6Å; H121-M152 PolarHBondContact ND1-O 3.34Å; H121-P154 PolarHBondContact N-O 3.13Å; H121-L155 HydrophobicContact CB-CD1 4.02Å; H121-L155 WeakPolarHBondContact O-CA 3.47Å; H121-I156 PolarHBondContact O-N 2.96Å
122V97Very high86.6Confident29 Ų2981 Ų8118%0.17642%0.418CS..EExtended strand (participates in β ladder)trans-126.1118.9173.3-1750000108.7V109 Y110 I113 I156V109-V122 HydrophobicContact CG1-CG2 3.69Å; Y110-V122 HydrophobicContact CD1-CG2 4.37Å; Y110-V122 HydrophobicContact CE1-CB 3.72Å; Y110-V122 HydrophobicContact CE1-CG1 3.93Å; Y110-V122 HydrophobicContact CE1-CG2 4.01Å; I113-V122 HydrophobicContact CD1-CG2 3.44Å; I113-V122 VanDerWaalsContact CD1-CG2 3.44Å; V122-I156 CarbonylContact C-O 3.58Å; V122-I156 VanDerWaalsContact CA-O 3.31Å; V122-I156 WeakPolarHBondContact CA-O 3.4Å; V122-I156 HydrophobicContact CG2-CB 4.47Å
123I96.2Very high86.6Confident40 Ų4083.1 Ų83.121%0.20543%0.426CS..EExtended strand (participates in β ladder)trans-114.1121.4-179-65.7175.5000109.8L125 W149 M152 L155 I156 I157 H158I123-L125 PolarHBondContact O-N 2.8Å; I123-W149 HydrophobicContact CD1-CZ3 4.32Å; I123-M152 HydrophobicContact CD1-CE 4.29Å; I123-M152 HydrophobicContact CD1-CG 4.27Å; I123-M152 HydrophobicContact CD1-SD 4.45Å; I123-L155 HydrophobicContact CB-CD1 3.98Å; I123-L155 HydrophobicContact CD1-CD1 3.61Å; I123-L155 HydrophobicContact CD1-CD2 4.13Å; I123-L155 HydrophobicContact CG1-CD1 3.59Å; I123-I156 PolarHBondContact N-O 3.5Å; I123-I157 HydrophobicContact CB-CG1 4.49Å; I123-I157 HydrophobicContact CG2-CG1 4.47Å; I123-I157 WeakPolarHBondContact O-CA 3.48Å; I123-H158 PolarHBondContact O-CD2 2.87Å; I123-H158 PolarHBondContact O-N 3.29Å
124H94.9Very high86.5Confident98 Ų9882.1 Ų82.145%0.45442%0.421SS..EExtended strand (participates in β ladder)trans-85.8107.2169.1-178.1-123.4000110.8R96 N126 H158R96-H124 PolarHBondContact NH2-CD2 3.43Å; R96-H124 PolarHBondContact NH2-NE2 2.82Å; H124-N126 PolarHBondContact O-N 2.82Å; H124-H158 CarbonylContact C-O 3.52Å; H124-H158 WeakPolarHBondContact CA-O 2.85Å; H124-H158 AromaticContact CD2-CE1 3.47Å; H124-H158 PolarHBondContact CD2-CE1 3.38Å; H124-H158 VanDerWaalsContact CD2-CE1 3.47Å; H124-H158 AromaticContact CD2-ND1 3.84Å; H124-H158 AromaticContact CD2-NE2 3.94Å; H124-H158 PolarHBondContact CD2-O 2.57Å; H124-H158 AromaticContact CG-CE1 3.96Å
125L92.9Very high86.5Confident38 Ų3879.2 Ų79.220%0.19941%0.41CS..EExtended strand (participates in β ladder)trans-76.2108.4174.7-17170.7000110.4I123 I127 L142 I157 H158 F161I123-L125 PolarHBondContact O-N 2.8Å; L125-I127 HydrophobicContact CD2-CD1 4.39Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.4Å; L125-L142 HydrophobicContact CD1-CD1 3.92Å; L125-L142 HydrophobicContact CD2-CD1 4.06Å; L125-L142 HydrophobicContact CD2-CD2 3.61Å; L125-I157 HydrophobicContact CB-CD1 4.2Å; L125-I157 HydrophobicContact CB-CG1 4.27Å; L125-I157 HydrophobicContact CD1-CD1 4.48Å; L125-H158 PolarHBondContact N-O 2.7Å; L125-F161 HydrophobicContact CB-CE1 4.33Å; L125-F161 HydrophobicContact CD2-CD1 3.81Å; L125-F161 HydrophobicContact CD2-CE1 3.78Å; L125-F161 HydrophobicContact CD2-CG 4.44Å; L125-F161 HydrophobicContact CD2-CZ 4.37Å
126N88.6Confident86.6Confident130 Ų13080.5 Ų80.570%0.69541%0.412SS*.  trans-93.6113.8173.7-172.99000110.7H124H124-N126 PolarHBondContact O-N 2.82Å
127I84.4Confident86.7Confident33 Ų3382 Ų8217%0.16942%0.423CS..  trans-95.4115.1173.7-61.7169.6000107.5L125 S129 L134 F161L125-I127 HydrophobicContact CD2-CD1 4.39Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.4Å; I127-S129 PolarHBondContact O-N 3.08Å; I127-S129 VanDerWaalsContact O-N 3.14Å; I127-L134 HydrophobicContact CD1-CD2 3.65Å; I127-L134 HydrophobicContact CD1-CG 4.18Å; I127-L134 HydrophobicContact CG1-CD2 4.03Å; I127-L134 HydrophobicContact CG2-CD2 4.01Å; I127-F161 HydrophobicContact CD1-CB 3.53Å; I127-F161 HydrophobicContact CD1-CD1 4.48Å; I127-F161 HydrophobicContact CD1-CG 4.36Å
128S65.7Low86.9Confident128 Ų12875.7 Ų75.790%0.89540%0.404SS*.SBendtrans-60.1-24.8-171.654.50000114.4
129S57.9Low87.2Confident49 Ų4974 Ų7434%0.34339%0.392SS..SBendtrans-89.2137169.361.90000110.2I127 K131I127-S129 PolarHBondContact O-N 3.08Å; I127-S129 VanDerWaalsContact O-N 3.14Å; S129-K131 PolarHBondContact O-N 3.44Å
130S59.2Low87.5Confident122 Ų12270.6 Ų70.685%0.85338%0.379SS*.SBendtrans-57.18.7164.8530000114.6
131K73.4Confident87.5Confident139 Ų13977.5 Ų77.560%0.60440%0.404SS*.  trans-89.6117.5171.1-55.4-178.7-178.2179.30107.7S129 Y133S129-K131 PolarHBondContact O-N 3.44Å; K131-Y133 PolarHBondContact O-N 3.26Å
132H87.9Confident87.4Confident56 Ų5674.6 Ų74.626%0.25939%0.392SS..SBendtrans-67.68.7169.9-55.2-55000113.3H160 F161 A162 F242H132-H160 WeakPolarHBondContact ND1-CB 3.46Å; H132-H160 PolarHBondContact ND1-O 3.08Å; H132-F161 CarbonylContact O-C 3.6Å; H132-F161 WeakPolarHBondContact O-CA 3.37Å; H132-A162 PolarHBondContact O-N 3.41Å; H132-F242 HydrophobicContact CB-CE2 3.75Å; H132-F242 HydrophobicContact CB-CZ 3.71Å; H132-F242 AromaticContact CD2-CE2 3.43Å; H132-F242 VanDerWaalsContact CD2-CE2 3.43Å; H132-F242 WeakPolarHBondContact CD2-CE2 3.41Å; H132-F242 AromaticContact CD2-CZ 3.58Å; H132-F242 AromaticContact CE1-CZ 3.98Å; H132-F242 AromaticContact CG-CE2 3.53Å; H132-F242 AromaticContact CG-CZ 3.33Å; H132-F242 AromaticContact ND1-CZ 3.62Å; H132-F242 AromaticContact NE2-CZ 3.96Å
133Y92.9Very high87.3Confident46 Ų4673.4 Ų73.418%0.1838%0.384CS..  trans-115.9132.8-174.8-53.9-79.1000110.6K131 A162 P241 R251K131-Y133 PolarHBondContact O-N 3.26Å; Y133-A162 HydrophobicContact CD1-CB 4.06Å; Y133-A162 HydrophobicContact CE1-CB 4.13Å; Y133-P241 WeakPolarHBondContact OH-CB 3.33Å; Y133-R251 HydrophobicContact CD1-CG 4.31Å; Y133-R251 HydrophobicContact CD2-CG 4.49Å; Y133-R251 HydrophobicContact CE1-CG 3.78Å; Y133-R251 HydrophobicContact CE2-CG 4Å
134L92.9Very high87.2Confident14 Ų1474.4 Ų74.47%0.07339%0.39CS..  trans-95.5150.4174.6-62.3-179.1000109.6I127 N138 E139 L142 I164 Q246I127-L134 HydrophobicContact CD1-CD2 3.65Å; I127-L134 HydrophobicContact CD1-CG 4.18Å; I127-L134 HydrophobicContact CG1-CD2 4.03Å; I127-L134 HydrophobicContact CG2-CD2 4.01Å; L134-N138 HydrophobicContact CB-CB 4.12Å; L134-N138 HydrophobicContact CD2-CB 4.07Å; L134-E139 HydrophobicContact CB-CG 3.68Å; L134-E139 HydrophobicContact CD1-CG 4.45Å; L134-L142 HydrophobicContact CD1-CD2 4.05Å; L134-I164 HydrophobicContact CD1-CD1 3.7Å; L134-Q246 PolarHBondContact O-OE1 3.46Å
135N92.2Very high87.1Confident89 Ų8972.1 Ų72.148%0.47638%0.381SS..  trans-81.9170.3164.169.440.9000109.4V137 N138 E139N135-V137 VanDerWaalsContact C-N 3.28Å; N135-V137 PolarHBondContact O-N 3.41Å; N135-V137 PolarHBondContact OD1-N 3.34Å; N135-N138 PolarHBondContact O-N 3.36Å; N135-N138 PolarHBondContact OD1-N 2.99Å; N135-E139 WeakPolarHBondContact O-CG 3.46Å; N135-E139 PolarHBondContact O-N 3Å
136R93.5Very high87.1Confident109 Ų10970.8 Ų70.841%0.41137%0.374SS..Hα-helixtrans-58.5-36.3-176.7-64.6-63175.6-148.2-16.7114.3E139 L140 K168 Y169R136-E139 IonicContact CZ-OE1 3.94Å; R136-E139 IonicContact NE-OE1 3.25Å; R136-E139 IonicContact NH1-OE1 2.71Å; R136-E139 PolarHBondContact NH1-OE1 3.48Å; R136-E139 IonicContact NH1-OE2 3.93Å; R136-E139 PolarHBondContact NH1-OE2 3.13Å; R136-E139 VanDerWaalsContact NH1-OE2 3.09Å; R136-L140 WeakPolarHBondContact O-CB 3.47Å; R136-L140 PolarHBondContact O-N 3.12Å; R136-K168 VanDerWaalsContact NH1-CE 3.32Å; R136-Y169 WeakPolarHBondContact CD-OH 3.42Å; R136-Y169 PolarHBondContact NH1-OH 3.4Å
137V94Very high87.2Confident105 Ų10566.2 Ų66.264%0.63635%0.351SS*.Hα-helixtrans-69.2-43.1179.8-179.60000110.2N135 L140 Y141N135-V137 VanDerWaalsContact C-N 3.28Å; N135-V137 PolarHBondContact O-N 3.41Å; N135-V137 PolarHBondContact OD1-N 3.34Å; V137-L140 PolarHBondContact O-N 3.36Å; V137-Y141 WeakPolarHBondContact O-CB 3.29Å; V137-Y141 PolarHBondContact O-N 3.16Å
138N93.4Very high87.5Confident76 Ų7670.4 Ų70.441%0.40637%0.369SS..Hα-helixtrans-70.6-35.4177.7-67-5000112.3L134 N135 L142L134-N138 HydrophobicContact CB-CB 4.12Å; L134-N138 HydrophobicContact CD2-CB 4.07Å; N135-N138 PolarHBondContact O-N 3.36Å; N135-N138 PolarHBondContact OD1-N 2.99Å; N138-L142 WeakPolarHBondContact O-CB 3.22Å; N138-L142 PolarHBondContact O-N 2.89Å
139E94.9Very high88.6Confident4 Ų470 Ų702%0.01935%0.348CS..Hα-helixtrans-60.3-49.8170.8-71.1178.3-108.400110.2L134 N135 R136 L142 I143 Y169 Q246L134-E139 HydrophobicContact CB-CG 3.68Å; L134-E139 HydrophobicContact CD1-CG 4.45Å; N135-E139 WeakPolarHBondContact O-CG 3.46Å; N135-E139 PolarHBondContact O-N 3Å; R136-E139 IonicContact CZ-OE1 3.94Å; R136-E139 IonicContact NE-OE1 3.25Å; R136-E139 IonicContact NH1-OE1 2.71Å; R136-E139 PolarHBondContact NH1-OE1 3.48Å; R136-E139 IonicContact NH1-OE2 3.93Å; R136-E139 PolarHBondContact NH1-OE2 3.13Å; R136-E139 VanDerWaalsContact NH1-OE2 3.09Å; E139-L142 PolarHBondContact O-N 3.49Å; E139-I143 WeakPolarHBondContact O-CB 3.37Å; E139-I143 WeakPolarHBondContact O-CD1 3.22Å; E139-I143 VanDerWaalsContact O-CG1 3.24Å; E139-I143 WeakPolarHBondContact O-CG1 3.39Å; E139-I143 PolarHBondContact O-N 2.81Å; E139-Y169 HydrophobicContact CB-CE1 4.21Å; E139-Y169 HydrophobicContact CB-CE2 3.96Å; E139-Y169 WeakPolarHBondContact CB-OH 3.46Å; E139-Y169 PolarHBondContact OE1-OH 2.95Å; E139-Y169 VanDerWaalsContact OE1-OH 3.12Å; E139-Y169 WeakPolarHBondContact OE2-CE2 3.42Å; E139-Y169 PolarHBondContact OE2-OH 2.94Å; E139-Q246 HydrophobicContact CG-CG 4.19Å
140L95.7Very high90.1Very high91 Ų9171.4 Ų71.448%0.47636%0.355SS..Hα-helixtrans-60-47.8178178.662.7000111.9R136 V137 L142 I143 D144 Y169R136-L140 WeakPolarHBondContact O-CB 3.47Å; R136-L140 PolarHBondContact O-N 3.12Å; V137-L140 PolarHBondContact O-N 3.36Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.9Å; L140-I143 PolarHBondContact O-N 2.83Å; L140-D144 VanDerWaalsContact O-CB 3.29Å; L140-D144 WeakPolarHBondContact O-CB 3.42Å; L140-D144 PolarHBondContact O-N 3.33Å; L140-Y169 HydrophobicContact CB-CD1 4.04Å; L140-Y169 HydrophobicContact CB-CE1 4.22Å; L140-Y169 HydrophobicContact CD1-CD1 4.02Å
141Y94.4Very high91.7Very high155 Ų15569.8 Ų69.861%0.60834%0.344SS*.Hα-helixtrans-59.6-42.1178.6176.3-101.4000112.5V137 N145V137-Y141 WeakPolarHBondContact O-CB 3.29Å; V137-Y141 PolarHBondContact O-N 3.16Å; Y141-N145 WeakPolarHBondContact CD1-ND2 3.26Å; Y141-N145 WeakPolarHBondContact CE1-ND2 3.34Å; Y141-N145 VanDerWaalsContact CE2-ND2 3.34Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.35Å; Y141-N145 WeakPolarHBondContact O-CB 3.39Å; Y141-N145 PolarHBondContact O-N 2.81Å; Y141-N145 VanDerWaalsContact O-N 3.11Å; Y141-N145 PolarHBondContact O-ND2 3.11Å
142L93.9Very high92.5Very high16 Ų1665.2 Ų65.28%0.08433%0.325CS..Hα-helixtrans-67-44.2177.2178.161.9000111.6L125 L134 N138 E139 L140 L146 I157 I164L125-L142 HydrophobicContact CD1-CD1 3.92Å; L125-L142 HydrophobicContact CD2-CD1 4.06Å; L125-L142 HydrophobicContact CD2-CD2 3.61Å; L134-L142 HydrophobicContact CD1-CD2 4.05Å; N138-L142 WeakPolarHBondContact O-CB 3.22Å; N138-L142 PolarHBondContact O-N 2.89Å; E139-L142 PolarHBondContact O-N 3.49Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.9Å; L142-L146 HydrophobicContact CD1-CD1 3.91Å; L142-L146 HydrophobicContact CD1-CG 4.16Å; L142-L146 HydrophobicContact CG-CD1 3.97Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.1Å; L142-I157 HydrophobicContact CD1-CD1 4.07Å; L142-I164 HydrophobicContact CD2-CD1 3.54Å
143I95Very high92.7Very high4 Ų463.5 Ų63.52%0.02132%0.317CS..Hα-helixtrans-62.6-45.4178.9-71.8164.1000110.7E139 L140 L146 T147 I164 F166 Y169E139-I143 WeakPolarHBondContact O-CB 3.37Å; E139-I143 WeakPolarHBondContact O-CD1 3.22Å; E139-I143 VanDerWaalsContact O-CG1 3.24Å; E139-I143 WeakPolarHBondContact O-CG1 3.39Å; E139-I143 PolarHBondContact O-N 2.81Å; L140-I143 PolarHBondContact O-N 2.83Å; I143-L146 PolarHBondContact O-N 3.18Å; I143-T147 VanDerWaalsContact O-CB 3.29Å; I143-T147 WeakPolarHBondContact O-CB 3.24Å; I143-T147 PolarHBondContact O-N 2.96Å; I143-T147 PolarHBondContact O-OG1 2.87Å; I143-I164 HydrophobicContact CD1-CG2 3.65Å; I143-I164 HydrophobicContact CG1-CG2 3.93Å; I143-F166 HydrophobicContact CB-CD1 4.18Å; I143-F166 HydrophobicContact CB-CE1 4.17Å; I143-F166 HydrophobicContact CG1-CD1 3.86Å; I143-F166 HydrophobicContact CG1-CD2 4.42Å; I143-F166 HydrophobicContact CG1-CE1 3.86Å; I143-F166 HydrophobicContact CG1-CE2 4.42Å; I143-F166 HydrophobicContact CG1-CG 4.14Å; I143-F166 HydrophobicContact CG1-CZ 4.15Å; I143-F166 HydrophobicContact CG2-CD1 3.68Å; I143-F166 HydrophobicContact CG2-CE1 4.1Å; I143-F166 HydrophobicContact CG2-CG 4.42Å; I143-Y169 HydrophobicContact CD1-CD2 3.08Å; I143-Y169 HydrophobicContact CD1-CE2 3.58Å; I143-Y169 HydrophobicContact CD1-CG 3.63Å
144D94.2Very high92.7Very high60 Ų6062.3 Ų62.332%0.32132%0.315SS..Hα-helixtrans-60.4-48.9179.5-17660000111.2L140 L146 T147 H148L140-D144 VanDerWaalsContact O-CB 3.29Å; L140-D144 WeakPolarHBondContact O-CB 3.42Å; L140-D144 PolarHBondContact O-N 3.33Å; D144-L146 PolarHBondContact O-N 2.8Å; D144-T147 PolarHBondContact O-N 3.46Å; D144-H148 WeakPolarHBondContact O-CB 3.46Å; D144-H148 PolarHBondContact O-N 3.04Å; D144-H148 PolarHBondContact O-ND1 3.25Å; D144-H148 IonicContact OD1-CE1 3.04Å; D144-H148 PolarHBondContact OD1-CE1 2.99Å; D144-H148 IonicContact OD1-ND1 2.83Å; D144-H148 PolarHBondContact OD1-ND1 3.37Å
145N93Very high92.9Very high50 Ų5061.8 Ų61.827%0.26731%0.312SS..Hα-helixtrans-59.6-46174.9-75.6-47.2000112.2Y141 T147 H148 W149Y141-N145 WeakPolarHBondContact CD1-ND2 3.26Å; Y141-N145 WeakPolarHBondContact CE1-ND2 3.34Å; Y141-N145 VanDerWaalsContact CE2-ND2 3.34Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.35Å; Y141-N145 WeakPolarHBondContact O-CB 3.39Å; Y141-N145 PolarHBondContact O-N 2.81Å; Y141-N145 VanDerWaalsContact O-N 3.11Å; Y141-N145 PolarHBondContact O-ND2 3.11Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact O-N 3.2Å; N145-H148 PolarHBondContact O-N 2.9Å; N145-W149 WeakPolarHBondContact O-CA 3.2Å; N145-W149 WeakPolarHBondContact O-CB 3.31Å; N145-W149 PolarHBondContact O-N 3.01Å
146L91.6Very high93.1Very high11 Ų1157.8 Ų57.86%0.05829%0.29CS..Hα-helixtrans-68.3-30.2179.7-72173.5000113.1L142 I143 D144 L155 I157 F166 F173L142-L146 HydrophobicContact CD1-CD1 3.91Å; L142-L146 HydrophobicContact CD1-CG 4.16Å; L142-L146 HydrophobicContact CG-CD1 3.97Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.1Å; I143-L146 PolarHBondContact O-N 3.18Å; D144-L146 PolarHBondContact O-N 2.8Å; L146-L155 HydrophobicContact CD2-CD2 3.74Å; L146-I157 HydrophobicContact CD1-CD1 4.12Å; L146-I157 HydrophobicContact CD1-CG2 4.42Å; L146-I157 HydrophobicContact CD2-CD1 3.85Å; L146-I157 HydrophobicContact CD2-CG2 4.33Å; L146-I157 HydrophobicContact CG-CD1 4.42Å; L146-F166 HydrophobicContact CB-CE1 4.15Å; L146-F166 HydrophobicContact CB-CZ 4.5Å; L146-F166 HydrophobicContact CD1-CE1 4.19Å; L146-F166 HydrophobicContact CD1-CZ 3.72Å; L146-F173 HydrophobicContact CB-CE1 4.07Å; L146-F173 WeakPolarHBondContact O-CZ 3.22Å
147T90.7Very high93.3Very high33 Ų3352.8 Ų52.820%0.20227%0.272CS..Hα-helixtrans-71.9-42.4177.8-57.90000110.7I143 D144 N145 S171 F173I143-T147 VanDerWaalsContact O-CB 3.29Å; I143-T147 WeakPolarHBondContact O-CB 3.24Å; I143-T147 PolarHBondContact O-N 2.96Å; I143-T147 PolarHBondContact O-OG1 2.87Å; D144-T147 PolarHBondContact O-N 3.46Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact O-N 3.2Å; T147-S171 PolarHBondContact OG1-OG 3.17Å; T147-F173 HydrophobicContact CG2-CB 4.09Å
148H90.7Very high93.5Very high121 Ų12148.1 Ų48.156%0.5624%0.243SC*.Hα-helixtrans-101-17.4-170.3-60.4110.4000114.5D144 N145 T150D144-H148 WeakPolarHBondContact O-CB 3.46Å; D144-H148 PolarHBondContact O-N 3.04Å; D144-H148 PolarHBondContact O-ND1 3.25Å; D144-H148 IonicContact OD1-CE1 3.04Å; D144-H148 PolarHBondContact OD1-CE1 2.99Å; D144-H148 IonicContact OD1-ND1 2.83Å; D144-H148 PolarHBondContact OD1-ND1 3.37Å; N145-H148 PolarHBondContact O-N 2.9Å; H148-T150 PolarHBondContact O-N 3.25Å
149W90.2Very high93.6Very high121 Ų12144.5 Ų44.546%0.45822%0.224SC..  trans-81.754.1179.5-1622.3000112.7I123 N145 S151 M152I123-W149 HydrophobicContact CD1-CZ3 4.32Å; N145-W149 WeakPolarHBondContact O-CA 3.2Å; N145-W149 WeakPolarHBondContact O-CB 3.31Å; N145-W149 PolarHBondContact O-N 3.01Å; W149-S151 VanDerWaalsContact CD1-OG 3.24Å; W149-S151 PolarHBondContact NE1-OG 3.19Å; W149-S151 PolarHBondContact O-N 3.09Å; W149-S151 VanDerWaalsContact O-N 3.17Å; W149-M152 HydrophobicContact CD2-CG 3.72Å; W149-M152 VanDerWaalsContact CE2-CG 3.42Å; W149-M152 HydrophobicContact CE3-CG 4.41Å; W149-M152 HydrophobicContact CG-CB 4.46Å; W149-M152 HydrophobicContact CG-CG 3.94Å; W149-M152 HydrophobicContact CH2-CE 3.75Å; W149-M152 HydrophobicContact CZ2-CE 3.25Å; W149-M152 HydrophobicContact CZ2-CG 3.94Å; W149-M152 HydrophobicContact CZ2-SD 4.42Å; W149-M152 PolarHBondContact O-N 3Å; W149-M152 VanDerWaalsContact O-N 3.14Å
150T89.5Confident93.6Very high78 Ų7847.2 Ų47.248%0.47924%0.236SC..G310 helixtrans-64.1-22.3-173.856.50000113.9H148 M152 H153H148-T150 PolarHBondContact O-N 3.25Å; T150-M152 PolarHBondContact O-N 3.19Å; T150-H153 WeakPolarHBondContact O-CB 3.45Å; T150-H153 PolarHBondContact O-N 3.13Å
151S91.8Very high93.6Very high88 Ų8843 Ų4362%0.61521%0.214SC*.G310 helixtrans-64-17.5175.8710000113.6W149W149-S151 VanDerWaalsContact CD1-OG 3.24Å; W149-S151 PolarHBondContact NE1-OG 3.19Å; W149-S151 PolarHBondContact O-N 3.09Å; W149-S151 VanDerWaalsContact O-N 3.17Å
152M90.7Very high93.8Very high42 Ų4235.7 Ų35.721%0.20719%0.185CC..G310 helixtrans-87.3-8175-73.4-65.8-158.700113.2H121 I123 W149 T150 P154H121-M152 WeakPolarHBondContact CB-O 3.32Å; H121-M152 HydrophobicContact CB-SD 4.14Å; H121-M152 VanDerWaalsContact CD2-SD 3.6Å; H121-M152 PolarHBondContact ND1-O 3.34Å; I123-M152 HydrophobicContact CD1-CE 4.29Å; I123-M152 HydrophobicContact CD1-CG 4.27Å; I123-M152 HydrophobicContact CD1-SD 4.45Å; W149-M152 HydrophobicContact CD2-CG 3.72Å; W149-M152 VanDerWaalsContact CE2-CG 3.42Å; W149-M152 HydrophobicContact CE3-CG 4.41Å; W149-M152 HydrophobicContact CG-CB 4.46Å; W149-M152 HydrophobicContact CG-CG 3.94Å; W149-M152 HydrophobicContact CH2-CE 3.75Å; W149-M152 HydrophobicContact CZ2-CE 3.25Å; W149-M152 HydrophobicContact CZ2-CG 3.94Å; W149-M152 HydrophobicContact CZ2-SD 4.42Å; W149-M152 PolarHBondContact O-N 3Å; W149-M152 VanDerWaalsContact O-N 3.14Å; T150-M152 PolarHBondContact O-N 3.19Å; M152-P154 CarbonylContact O-C 3.38Å; M152-P154 VanDerWaalsContact O-O 3.04Å
153H91.1Very high94Very high21 Ų2135.4 Ų35.410%0.09718%0.184CC..  trans-80.7143.8-176.9-55171.3000111.5V91 T150 F173V91-H153 WeakPolarHBondContact CG2-CD2 3.49Å; V91-H153 VanDerWaalsContact CG2-NE2 3.26Å; V91-H153 WeakPolarHBondContact CG2-NE2 3.03Å; T150-H153 WeakPolarHBondContact O-CB 3.45Å; T150-H153 PolarHBondContact O-N 3.13Å; H153-F173 AromaticContact CE1-CE2 3.67Å
154P94Very high94Very high21 Ų2135.3 Ų35.314%0.13618%0.183CC..SBendcis-70142.7-2.126.2-29.7000112.6P90 T120 H121 M152 F293P90-P154 WeakPolarHBondContact O-CA 3.14Å; T120-P154 WeakPolarHBondContact CA-O 3.34Å; H121-P154 PolarHBondContact N-O 3.13Å; M152-P154 CarbonylContact O-C 3.38Å; M152-P154 VanDerWaalsContact O-O 3.04Å; P154-F293 HydrophobicContact CB-CE1 3.91Å; P154-F293 HydrophobicContact CB-CZ 3.99Å
155L95.5Very high94.1Very high3 Ų334.6 Ų34.62%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-130.6134.4-170.8171.762.9000111.8P90 V91 V92 H121 I123 L146 I157P90-L155 PolarHBondContact O-N 3.44Å; V91-L155 CarbonylContact C-O 3.59Å; V91-L155 VanDerWaalsContact CA-O 3.29Å; V91-L155 WeakPolarHBondContact CA-O 2.95Å; V91-L155 HydrophobicContact CG1-CB 4.17Å; V91-L155 HydrophobicContact CG1-CD2 4.12Å; V91-L155 HydrophobicContact CG1-CG 4.18Å; V91-L155 HydrophobicContact CG2-CB 3.95Å; V92-L155 PolarHBondContact N-O 2.99Å; H121-L155 HydrophobicContact CB-CD1 4.02Å; H121-L155 WeakPolarHBondContact O-CA 3.47Å; I123-L155 HydrophobicContact CB-CD1 3.98Å; I123-L155 HydrophobicContact CD1-CD1 3.61Å; I123-L155 HydrophobicContact CD1-CD2 4.13Å; I123-L155 HydrophobicContact CG1-CD1 3.59Å; L146-L155 HydrophobicContact CD2-CD2 3.74Å; L155-I157 HydrophobicContact CD2-CB 4.4Å; L155-I157 HydrophobicContact CG-CB 4.41Å
156I97.7Very high94.3Very high4 Ų432.7 Ų32.72%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-104.5109.2158.6-63.3168000107.9V92 V109 T120 H121 V122 I123 F293V92-I156 HydrophobicContact CB-CG1 4.07Å; V92-I156 WeakPolarHBondContact O-CA 3.47Å; V109-I156 HydrophobicContact CB-CD1 4.39Å; V109-I156 HydrophobicContact CG1-CD1 3.47Å; V109-I156 VanDerWaalsContact CG1-CD1 3.47Å; V109-I156 HydrophobicContact CG2-CD1 3.95Å; T120-I156 HydrophobicContact CG2-CD1 4.19Å; T120-I156 HydrophobicContact CG2-CG1 4.22Å; H121-I156 PolarHBondContact O-N 2.96Å; V122-I156 CarbonylContact C-O 3.58Å; V122-I156 VanDerWaalsContact CA-O 3.31Å; V122-I156 WeakPolarHBondContact CA-O 3.4Å; V122-I156 HydrophobicContact CG2-CB 4.47Å; I123-I156 PolarHBondContact N-O 3.5Å; I156-F293 HydrophobicContact CD1-CB 4.28Å; I156-F293 HydrophobicContact CD1-CD1 3.66Å; I156-F293 HydrophobicContact CD1-CE1 4.37Å; I156-F293 HydrophobicContact CD1-CG 4.28Å; I156-F293 HydrophobicContact CG1-CD1 3.61Å; I156-F293 HydrophobicContact CG1-CE1 3.83Å; I156-F293 HydrophobicContact CG1-CG 4.44Å
157I97.2Very high94.4Very high4 Ų437.9 Ų37.92%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-96.4132.6169.7-176166.6000109.7V91 V92 V93 Y94 I123 L125 L142 L146 L155V91-I157 HydrophobicContact CG1-CG2 4.33Å; V92-I157 PolarHBondContact O-N 3.16Å; V93-I157 HydrophobicContact CB-CG2 4.23Å; V93-I157 HydrophobicContact CG1-CG2 4.43Å; V93-I157 HydrophobicContact CG2-CG2 3.61Å; Y94-I157 PolarHBondContact N-O 3.18Å; I123-I157 HydrophobicContact CB-CG1 4.49Å; I123-I157 HydrophobicContact CG2-CG1 4.47Å; I123-I157 WeakPolarHBondContact O-CA 3.48Å; L125-I157 HydrophobicContact CB-CD1 4.2Å; L125-I157 HydrophobicContact CB-CG1 4.27Å; L125-I157 HydrophobicContact CD1-CD1 4.48Å; L142-I157 HydrophobicContact CD1-CD1 4.07Å; L146-I157 HydrophobicContact CD1-CD1 4.12Å; L146-I157 HydrophobicContact CD1-CG2 4.42Å; L146-I157 HydrophobicContact CD2-CD1 3.85Å; L146-I157 HydrophobicContact CD2-CG2 4.33Å; L146-I157 HydrophobicContact CG-CD1 4.42Å; L155-I157 HydrophobicContact CD2-CB 4.4Å; L155-I157 HydrophobicContact CG-CB 4.41Å
158H97.5Very high94.5Very high7 Ų741.5 Ų41.53%0.03221%0.209CC..EExtended strand (participates in β ladder)trans-142.2145.2-177.379.2105.2000112.9Y94 R96 I106 I123 H124 L125Y94-H158 HydrophobicContact CD1-CB 4.33Å; Y94-H158 WeakPolarHBondContact O-CA 3.34Å; R96-H158 WeakPolarHBondContact CD-ND1 3.48Å; R96-H158 HydrophobicContact CG-CB 4.18Å; R96-H158 PolarHBondContact NE-ND1 3.06Å; R96-H158 PolarHBondContact NH2-ND1 3.46Å; I106-H158 HydrophobicContact CD1-CB 3.84Å; I106-H158 VanDerWaalsContact CD1-CG 3.48Å; I123-H158 PolarHBondContact O-CD2 2.87Å; I123-H158 PolarHBondContact O-N 3.29Å; H124-H158 CarbonylContact C-O 3.52Å; H124-H158 WeakPolarHBondContact CA-O 2.85Å; H124-H158 AromaticContact CD2-CE1 3.47Å; H124-H158 PolarHBondContact CD2-CE1 3.38Å; H124-H158 VanDerWaalsContact CD2-CE1 3.47Å; H124-H158 AromaticContact CD2-ND1 3.84Å; H124-H158 AromaticContact CD2-NE2 3.94Å; H124-H158 PolarHBondContact CD2-O 2.57Å; H124-H158 AromaticContact CG-CE1 3.96Å; L125-H158 PolarHBondContact N-O 2.7Å
159G95.7Very high94.7Very high0 Ų038.3 Ų38.30%019%0.192CC..EExtended strand (participates in β ladder)trans178.3170.6-175.700000111.9Y94 N95 R96 F161Y94-G159 PolarHBondContact O-N 2.79Å; N95-G159 CarbonylContact C-O 3.54Å; R96-G159 PolarHBondContact N-O 3.08Å; G159-F161 VanDerWaalsContact C-CD1 3.48Å; G159-F161 WeakPolarHBondContact O-CD1 3.36Å; G159-F161 PolarHBondContact O-N 3.26Å
160H95.6Very high94.8Very high62 Ų6235.5 Ų35.529%0.28720%0.201SC..SBendtrans-92.180.9179.2-64.2-54000110.8R96 H132R96-H160 PolarHBondContact O-ND1 3.1Å; H132-H160 WeakPolarHBondContact ND1-CB 3.46Å; H132-H160 PolarHBondContact ND1-O 3.08Å
161F96.3Very high95Very high3 Ų332.6 Ų32.61%0.01318%0.184CC..  trans-138.4153.917956-85.5000112.5V93 N95 L125 I127 H132 G159 I164 F242V93-F161 HydrophobicContact CG1-CE2 3.91Å; V93-F161 HydrophobicContact CG1-CZ 3.76Å; N95-F161 HydrophobicContact CB-CD2 3.75Å; N95-F161 HydrophobicContact CB-CE1 4.3Å; N95-F161 HydrophobicContact CB-CE2 3.51Å; N95-F161 HydrophobicContact CB-CG 4.24Å; N95-F161 HydrophobicContact CB-CZ 3.82Å; N95-F161 WeakPolarHBondContact CB-O 2.93Å; N95-F161 PolarHBondContact ND2-O 2.87Å; L125-F161 HydrophobicContact CB-CE1 4.33Å; L125-F161 HydrophobicContact CD2-CD1 3.81Å; L125-F161 HydrophobicContact CD2-CE1 3.78Å; L125-F161 HydrophobicContact CD2-CG 4.44Å; L125-F161 HydrophobicContact CD2-CZ 4.37Å; I127-F161 HydrophobicContact CD1-CB 3.53Å; I127-F161 HydrophobicContact CD1-CD1 4.48Å; I127-F161 HydrophobicContact CD1-CG 4.36Å; H132-F161 CarbonylContact O-C 3.6Å; H132-F161 WeakPolarHBondContact O-CA 3.37Å; G159-F161 VanDerWaalsContact C-CD1 3.48Å; G159-F161 WeakPolarHBondContact O-CD1 3.36Å; G159-F161 PolarHBondContact O-N 3.26Å; F161-I164 HydrophobicContact CD2-CD1 3.95Å; F161-I164 HydrophobicContact CD2-CG1 4.34Å; F161-I164 HydrophobicContact CE2-CD1 4.19Å; F161-F242 VanDerWaalsContact O-CD1 3.27Å; F161-F242 WeakPolarHBondContact O-CD1 3.28Å
162A96.9Very high94.9Very high0 Ų035.8 Ų35.80%019%0.193CC..  trans-75.4156.9172.100000111.3H132 Y133 F242 Q246H132-A162 PolarHBondContact O-N 3.41Å; Y133-A162 HydrophobicContact CD1-CB 4.06Å; Y133-A162 HydrophobicContact CE1-CB 4.13Å; A162-F242 CarbonylContact C-O 3.6Å; A162-F242 WeakPolarHBondContact CA-O 3.3Å; A162-Q246 PolarHBondContact O-NE2 3.39Å
163Y98Very high94.9Very high11 Ų1135.4 Ų35.44%0.04319%0.19CC..  trans-47.9139.5-179.6168.9-93.2000113.1N165 Y177 F242 G245 Q246 R265 D269 Y270Y163-N165 HydrophobicContact CE1-CB 3.87Å; Y163-Y177 HydrophobicContact CD2-CD1 4.32Å; Y163-Y177 AromaticContact CD2-CE1 3.97Å; Y163-Y177 HydrophobicContact CD2-CE1 3.97Å; Y163-Y177 HydrophobicContact CD2-CE2 4.17Å; Y163-Y177 AromaticContact CD2-CZ 3.89Å; Y163-Y177 HydrophobicContact CE2-CD2 4.2Å; Y163-Y177 HydrophobicContact CE2-CE1 4.5Å; Y163-Y177 AromaticContact CE2-CE2 3.87Å; Y163-Y177 HydrophobicContact CE2-CE2 3.87Å; Y163-F242 PolarHBondContact N-O 3.31Å; Y163-G245 WeakPolarHBondContact O-CA 3.26Å; Y163-Q246 WeakPolarHBondContact O-CG 3.21Å; Y163-R265 PolarHBondContact OH-NH1 2.04Å; Y163-D269 HydrophobicContact CE2-CB 3.72Å; Y163-D269 VanDerWaalsContact OH-CG 3.28Å; Y163-D269 PolarHBondContact OH-OD1 2.99Å; Y163-Y270 AromaticContact CD2-CE2 3.96Å; Y163-Y270 HydrophobicContact CD2-CE2 3.96Å
164I97.1Very high94.8Very high2 Ų241.4 Ų41.41%0.0122%0.223CC..  trans-121.7124.2-179.8-59.6174.7000108.8L134 L142 I143 F161 F166 Y177 Q246L134-I164 HydrophobicContact CD1-CD1 3.7Å; L142-I164 HydrophobicContact CD2-CD1 3.54Å; I143-I164 HydrophobicContact CD1-CG2 3.65Å; I143-I164 HydrophobicContact CG1-CG2 3.93Å; F161-I164 HydrophobicContact CD2-CD1 3.95Å; F161-I164 HydrophobicContact CD2-CG1 4.34Å; F161-I164 HydrophobicContact CE2-CD1 4.19Å; I164-F166 HydrophobicContact CG2-CE2 4.4Å; I164-F166 PolarHBondContact O-N 3.12Å; I164-Y177 PolarHBondContact N-OH 3.24Å; I164-Y177 PolarHBondContact O-OH 3.32Å; I164-Q246 HydrophobicContact CG1-CG 4.48Å
165N96Very high94.9Very high44 Ų4440.7 Ų40.724%0.23522%0.219CC..  trans-87.9108.7176.4-178-13000109.4Y163 L167 K168 Y169Y163-N165 HydrophobicContact CE1-CB 3.87Å; N165-L167 WeakPolarHBondContact OD1-CB 3.29Å; N165-L167 PolarHBondContact OD1-N 3.07Å; N165-L167 VanDerWaalsContact OD1-N 3.1Å; N165-K168 HydrophobicContact CB-CB 3.98Å; N165-K168 WeakPolarHBondContact O-CB 3.48Å; N165-K168 PolarHBondContact OD1-N 3.31Å; N165-K168 VanDerWaalsContact OD1-N 3.16Å; N165-Y169 VanDerWaalsContact O-CD2 3.31Å; N165-Y169 WeakPolarHBondContact O-CD2 3.4Å
166F95.7Very high95Very high10 Ų1043 Ų434%0.04423%0.23CC..SBendtrans-67.3-42.7179.8-78.7-111.7000112I143 L146 I164 K168 Y169 S171 F173 P175I143-F166 HydrophobicContact CB-CD1 4.18Å; I143-F166 HydrophobicContact CB-CE1 4.17Å; I143-F166 HydrophobicContact CG1-CD1 3.86Å; I143-F166 HydrophobicContact CG1-CD2 4.42Å; I143-F166 HydrophobicContact CG1-CE1 3.86Å; I143-F166 HydrophobicContact CG1-CE2 4.42Å; I143-F166 HydrophobicContact CG1-CG 4.14Å; I143-F166 HydrophobicContact CG1-CZ 4.15Å; I143-F166 HydrophobicContact CG2-CD1 3.68Å; I143-F166 HydrophobicContact CG2-CE1 4.1Å; I143-F166 HydrophobicContact CG2-CG 4.42Å; L146-F166 HydrophobicContact CB-CE1 4.15Å; L146-F166 HydrophobicContact CB-CZ 4.5Å; L146-F166 HydrophobicContact CD1-CE1 4.19Å; L146-F166 HydrophobicContact CD1-CZ 3.72Å; I164-F166 HydrophobicContact CG2-CE2 4.4Å; I164-F166 PolarHBondContact O-N 3.12Å; F166-K168 PolarHBondContact O-N 3.19Å; F166-Y169 PolarHBondContact O-N 3.19Å; F166-S171 CarbonylContact C-O 3.51Å; F166-S171 PolarHBondContact O-N 3.01Å; F166-F173 WeakPolarHBondContact CB-O 3.49Å; F166-F173 HydrophobicContact CD1-CB 4.38Å; F166-F173 AromaticContact CD1-CD1 3.59Å; F166-F173 HydrophobicContact CD1-CD1 3.59Å; F166-F173 HydrophobicContact CD1-CE1 4.4Å; F166-F173 HydrophobicContact CD1-CG 4.49Å; F166-F173 AromaticContact CE1-CD1 3.45Å; F166-F173 HydrophobicContact CE1-CD1 3.45Å; F166-F173 VanDerWaalsContact CE1-CD1 3.45Å; F166-F173 AromaticContact CE1-CE1 3.84Å; F166-F173 HydrophobicContact CE1-CE1 3.84Å; F166-F173 HydrophobicContact CZ-CD1 4.34Å; F166-F173 HydrophobicContact CZ-CE1 4.39Å; F166-P175 HydrophobicContact CD1-CG 4.48Å; F166-P175 HydrophobicContact CD2-CG 3.8Å; F166-P175 HydrophobicContact CE1-CG 4.28Å; F166-P175 HydrophobicContact CE2-CG 3.57Å; F166-P175 HydrophobicContact CG-CG 4.27Å; F166-P175 HydrophobicContact CZ-CG 3.82Å
167L94.2Very high95.1Very high120 Ų12043.1 Ų43.163%0.62823%0.231SC*.G310 helixtrans-59.1-32.5179.9-17763.8000112.3N165 Y169 G170 L172N165-L167 WeakPolarHBondContact OD1-CB 3.29Å; N165-L167 PolarHBondContact OD1-N 3.07Å; N165-L167 VanDerWaalsContact OD1-N 3.1Å; L167-Y169 PolarHBondContact O-N 2.96Å; L167-Y169 VanDerWaalsContact O-N 3.11Å; L167-G170 PolarHBondContact O-N 3.43Å; L167-L172 HydrophobicContact CD1-CD2 4.43Å
168K93.9Very high95.1Very high110 Ų11043 Ų4348%0.47823%0.23SC..G310 helixtrans-54.8-29.8175.1174.2174.8179.7152.80113.2R136 N165 F166R136-K168 VanDerWaalsContact NH1-CE 3.32Å; N165-K168 HydrophobicContact CB-CB 3.98Å; N165-K168 WeakPolarHBondContact O-CB 3.48Å; N165-K168 PolarHBondContact OD1-N 3.31Å; N165-K168 VanDerWaalsContact OD1-N 3.16Å; F166-K168 PolarHBondContact O-N 3.19Å
169Y94.5Very high95.2Very high53 Ų5342.7 Ų42.721%0.20823%0.229CC..G310 helixtrans-101.113-177.7-62.9-92.1000112.4R136 E139 L140 I143 N165 F166 L167 S171R136-Y169 WeakPolarHBondContact CD-OH 3.42Å; R136-Y169 PolarHBondContact NH1-OH 3.4Å; E139-Y169 HydrophobicContact CB-CE1 4.21Å; E139-Y169 HydrophobicContact CB-CE2 3.96Å; E139-Y169 WeakPolarHBondContact CB-OH 3.46Å; E139-Y169 PolarHBondContact OE1-OH 2.95Å; E139-Y169 VanDerWaalsContact OE1-OH 3.12Å; E139-Y169 WeakPolarHBondContact OE2-CE2 3.42Å; E139-Y169 PolarHBondContact OE2-OH 2.94Å; L140-Y169 HydrophobicContact CB-CD1 4.04Å; L140-Y169 HydrophobicContact CB-CE1 4.22Å; L140-Y169 HydrophobicContact CD1-CD1 4.02Å; I143-Y169 HydrophobicContact CD1-CD2 3.08Å; I143-Y169 HydrophobicContact CD1-CE2 3.58Å; I143-Y169 HydrophobicContact CD1-CG 3.63Å; N165-Y169 VanDerWaalsContact O-CD2 3.31Å; N165-Y169 WeakPolarHBondContact O-CD2 3.4Å; F166-Y169 PolarHBondContact O-N 3.19Å; L167-Y169 PolarHBondContact O-N 2.96Å; L167-Y169 VanDerWaalsContact O-N 3.11Å; Y169-S171 PolarHBondContact O-N 3.49Å
170G92.7Very high95.3Very high63 Ų6342.7 Ų42.765%0.64923%0.229SC*.THydrogen-bonded Turntrans76.15.3-17900000114.3L167L167-G170 PolarHBondContact O-N 3.43Å
171S92.1Very high95.4Very high16 Ų1639.8 Ų39.811%0.11222%0.215CC..  trans-80.7123.7174.1-176.80000110.2T147 F166 Y169 F173T147-S171 PolarHBondContact OG1-OG 3.17Å; F166-S171 CarbonylContact C-O 3.51Å; F166-S171 PolarHBondContact O-N 3.01Å; Y169-S171 PolarHBondContact O-N 3.49Å; S171-F173 WeakPolarHBondContact OG-CB 3.04Å; S171-F173 PolarHBondContact OG-N 2.81Å
172L90.3Very high95.5Very high156 Ų15641.7 Ų41.782%0.81722%0.222SC*.  trans-81.5-1.5170.8-60.7-179.3000112.3L167 N174L167-L172 HydrophobicContact CD1-CD2 4.43Å; L172-N174 PolarHBondContact O-N 3.45Å
173F90.2Very high95.6Very high33 Ų3343.2 Ų43.215%0.14523%0.23CC..  trans-63119173.3-179-103.3000109.6V91 L146 T147 H153 F166 S171 P175V91-F173 HydrophobicContact CB-CE1 4.28Å; V91-F173 HydrophobicContact CB-CE2 4.35Å; V91-F173 HydrophobicContact CB-CZ 3.52Å; V91-F173 HydrophobicContact CG1-CE1 4.39Å; V91-F173 HydrophobicContact CG1-CZ 3.99Å; V91-F173 HydrophobicContact CG2-CE2 3.98Å; V91-F173 HydrophobicContact CG2-CZ 3.47Å; V91-F173 VanDerWaalsContact CG2-CZ 3.47Å; L146-F173 HydrophobicContact CB-CE1 4.07Å; L146-F173 WeakPolarHBondContact O-CZ 3.22Å; T147-F173 HydrophobicContact CG2-CB 4.09Å; H153-F173 AromaticContact CE1-CE2 3.67Å; F166-F173 WeakPolarHBondContact CB-O 3.49Å; F166-F173 HydrophobicContact CD1-CB 4.38Å; F166-F173 AromaticContact CD1-CD1 3.59Å; F166-F173 HydrophobicContact CD1-CD1 3.59Å; F166-F173 HydrophobicContact CD1-CE1 4.4Å; F166-F173 HydrophobicContact CD1-CG 4.49Å; F166-F173 AromaticContact CE1-CD1 3.45Å; F166-F173 HydrophobicContact CE1-CD1 3.45Å; F166-F173 VanDerWaalsContact CE1-CD1 3.45Å; F166-F173 AromaticContact CE1-CE1 3.84Å; F166-F173 HydrophobicContact CE1-CE1 3.84Å; F166-F173 HydrophobicContact CZ-CD1 4.34Å; F166-F173 HydrophobicContact CZ-CE1 4.39Å; S171-F173 WeakPolarHBondContact OG-CB 3.04Å; S171-F173 PolarHBondContact OG-N 2.81Å; F173-P175 HydrophobicContact CD1-CB 4.46Å; F173-P175 HydrophobicContact CD1-CG 4.25Å; F173-P175 HydrophobicContact CE1-CB 3.89Å; F173-P175 HydrophobicContact CE1-CG 4.09Å; F173-P175 VanDerWaalsContact O-CD 3.22Å; F173-P175 WeakPolarHBondContact O-CD 3.36Å
174N90.2Very high95.6Very high147 Ų14742.7 Ų42.779%0.78623%0.228SC*.  trans-114.485.3-174-170.823.3000110.2L172L172-N174 PolarHBondContact O-N 3.45Å
175P96Very high95.6Very high7 Ų743 Ų435%0.04523%0.23CC..  trans-72153.717730.6-33.5000111.3V91 V93 F166 F173 Y177V91-P175 HydrophobicContact CB-CB 4.47Å; V91-P175 HydrophobicContact CG1-CB 4.41Å; V91-P175 CarbonylContact O-C 3.48Å; V91-P175 WeakPolarHBondContact O-CA 3.45Å; V93-P175 HydrophobicContact CG2-CB 3.57Å; V93-P175 HydrophobicContact CG2-CG 3.93Å; F166-P175 HydrophobicContact CD1-CG 4.48Å; F166-P175 HydrophobicContact CD2-CG 3.8Å; F166-P175 HydrophobicContact CE1-CG 4.28Å; F166-P175 HydrophobicContact CE2-CG 3.57Å; F166-P175 HydrophobicContact CG-CG 4.27Å; F166-P175 HydrophobicContact CZ-CG 3.82Å; F173-P175 HydrophobicContact CD1-CB 4.46Å; F173-P175 HydrophobicContact CD1-CG 4.25Å; F173-P175 HydrophobicContact CE1-CB 3.89Å; F173-P175 HydrophobicContact CE1-CG 4.09Å; F173-P175 VanDerWaalsContact O-CD 3.22Å; F173-P175 WeakPolarHBondContact O-CD 3.36Å; P175-Y177 HydrophobicContact CG-CE2 4.05Å; P175-Y177 PolarHBondContact O-N 3.42Å
176I97.7Very high95.7Very high50 Ų5043.8 Ų43.826%0.25623%0.234SC..EExtended strand (participates in β ladder)trans-87.2110.8177.9-56.2175.3000108.7P90 V91 V92 V93 L271 L290P90-I176 HydrophobicContact CB-CD1 4.11Å; V91-I176 PolarHBondContact O-N 2.86Å; V92-I176 CarbonylContact C-O 3.57Å; V92-I176 VanDerWaalsContact CA-O 3.26Å; V92-I176 WeakPolarHBondContact CA-O 3.5Å; V92-I176 HydrophobicContact CG2-CB 4.3Å; V93-I176 PolarHBondContact N-O 3.14Å; I176-L271 HydrophobicContact CG2-CB 3.67Å; I176-L271 HydrophobicContact CG2-CD2 3.51Å; I176-L271 HydrophobicContact CG2-CG 4.23Å; I176-L290 HydrophobicContact CD1-CD2 3.7Å; I176-L290 HydrophobicContact CG2-CD1 4.37Å; I176-L290 HydrophobicContact CG2-CD2 4.19Å
177Y98.6Very high95.8Very high8 Ų843.7 Ų43.73%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-81.3132.2174.2-80.9-91.3000111.7V93 Y163 I164 P175 D269 Y270 L271V93-Y177 HydrophobicContact CB-CD1 3.83Å; V93-Y177 HydrophobicContact CB-CE1 3.76Å; V93-Y177 HydrophobicContact CB-CG 4.24Å; V93-Y177 HydrophobicContact CG1-CD1 3.64Å; V93-Y177 HydrophobicContact CG1-CE1 3.23Å; V93-Y177 WeakPolarHBondContact O-CA 3.47Å; Y163-Y177 HydrophobicContact CD2-CD1 4.32Å; Y163-Y177 AromaticContact CD2-CE1 3.97Å; Y163-Y177 HydrophobicContact CD2-CE1 3.97Å; Y163-Y177 HydrophobicContact CD2-CE2 4.17Å; Y163-Y177 AromaticContact CD2-CZ 3.89Å; Y163-Y177 HydrophobicContact CE2-CD2 4.2Å; Y163-Y177 HydrophobicContact CE2-CE1 4.5Å; Y163-Y177 AromaticContact CE2-CE2 3.87Å; Y163-Y177 HydrophobicContact CE2-CE2 3.87Å; I164-Y177 PolarHBondContact N-OH 3.24Å; I164-Y177 PolarHBondContact O-OH 3.32Å; P175-Y177 HydrophobicContact CG-CE2 4.05Å; P175-Y177 PolarHBondContact O-N 3.42Å; Y177-D269 WeakPolarHBondContact CB-O 3.41Å; Y177-Y270 AromaticContact CD1-CE1 3.97Å; Y177-Y270 HydrophobicContact CD1-CE1 3.97Å; Y177-Y270 HydrophobicContact CG-CE1 4.3Å; Y177-Y270 WeakPolarHBondContact O-CA 3.49Å; Y177-L271 PolarHBondContact O-N 2.88Å
178I98.7Very high95.9Very high2 Ų238 Ų381%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-127.5153.8166.765.2172.8000109.1V92 V93 Y94 L105 I272 L286 L290 F294V92-I178 HydrophobicContact CG1-CD1 3.67Å; V92-I178 HydrophobicContact CG1-CG1 3.7Å; V92-I178 HydrophobicContact CG1-CG2 4.33Å; V93-I178 PolarHBondContact O-N 2.97Å; Y94-I178 HydrophobicContact CD2-CG1 4.31Å; Y94-I178 WeakPolarHBondContact CD2-O 3.42Å; Y94-I178 HydrophobicContact CG-CG1 4.26Å; L105-I178 HydrophobicContact CD2-CD1 4.48Å; I178-I272 WeakPolarHBondContact CA-O 3.05Å; I178-I272 HydrophobicContact CG2-CG2 4.06Å; I178-L286 HydrophobicContact CD1-CD2 4.04Å; I178-L286 HydrophobicContact CG2-CD2 4.11Å; I178-L290 HydrophobicContact CG2-CD1 3.89Å; I178-F294 HydrophobicContact CD1-CE2 4.48Å; I178-F294 HydrophobicContact CD1-CZ 4.18Å
179N98.6Very high96.1Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-153.1177.1172.3-140.2-46.8000113.5N95 F243 Y270 I272 V273 G274 F282N95-N179 VanDerWaalsContact CG-ND2 3.33Å; N95-N179 PolarHBondContact ND2-ND2 3.14Å; N95-N179 PolarHBondContact O-ND2 3.35Å; N95-N179 PolarHBondContact OD1-ND2 3.21Å; N179-F243 HydrophobicContact CB-CE1 3.86Å; N179-F243 HydrophobicContact CB-CZ 3.66Å; N179-Y270 HydrophobicContact CB-CD1 3.97Å; N179-Y270 HydrophobicContact CB-CE1 3.73Å; N179-I272 PolarHBondContact N-O 2.7Å; N179-I272 VanDerWaalsContact N-O 3.13Å; N179-V273 HydrophobicContact CB-CG1 4.24Å; N179-V273 HydrophobicContact CB-CG2 4.33Å; N179-V273 CarbonylContact O-C 3.53Å; N179-V273 WeakPolarHBondContact O-CA 3.37Å; N179-G274 PolarHBondContact O-N 2.71Å; N179-F282 WeakPolarHBondContact O-CZ 3.47Å
180M98.1Very high96.2Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-141.4136.3173.9-73.7-175.570.700110.7T100 L105 G274 F279 F282T100-M180 WeakPolarHBondContact CB-O 3.31Å; T100-M180 WeakPolarHBondContact O-CB 3.39Å; T100-M180 WeakPolarHBondContact O-CE 3.31Å; T100-M180 PolarHBondContact OG1-O 3.04Å; L105-M180 HydrophobicContact CB-SD 4.44Å; L105-M180 HydrophobicContact CD2-SD 4.26Å; M180-G274 CarbonylContact C-O 3.39Å; M180-G274 WeakPolarHBondContact CA-O 3.34Å; M180-F279 HydrophobicContact CE-CD2 3.57Å; M180-F279 HydrophobicContact CE-CE2 4.23Å; M180-F279 HydrophobicContact SD-CD2 4.07Å; M180-F279 HydrophobicContact SD-CE2 4.14Å; M180-F282 HydrophobicContact CE-CD1 4.18Å; M180-F282 HydrophobicContact CG-CD1 3.65Å; M180-F282 HydrophobicContact CG-CE1 3.22Å; M180-F282 HydrophobicContact CG-CZ 3.78Å; M180-F282 HydrophobicContact SD-CD1 3.64Å; M180-F282 HydrophobicContact SD-CE1 3.53Å; M180-F282 VanDerWaalsContact SD-CE1 3.53Å
181I98.6Very high96.4Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-116.7173.8176.165.9165.2000111.5I97 F243 V273 G274 L275 T276 F339 Y340 V343I97-I181 HydrophobicContact CD1-CG2 3.96Å; I181-F243 HydrophobicContact CG2-CE2 3.53Å; I181-F243 HydrophobicContact CG2-CZ 3.82Å; I181-V273 HydrophobicContact CG1-CG1 4.46Å; I181-V273 HydrophobicContact CG2-CG1 3.95Å; I181-G274 PolarHBondContact N-O 3.25Å; I181-L275 HydrophobicContact CD1-CD2 3.94Å; I181-L275 HydrophobicContact CG1-CD2 3.69Å; I181-T276 WeakPolarHBondContact O-CB 3.19Å; I181-T276 PolarHBondContact O-N 3.49Å; I181-T276 PolarHBondContact O-OG1 3.2Å; I181-F339 HydrophobicContact CG2-CE1 4.3Å; I181-Y340 HydrophobicContact CD1-CD2 3.58Å; I181-Y340 HydrophobicContact CD1-CE2 4.22Å; I181-Y340 HydrophobicContact CD1-CG 4.26Å; I181-Y340 HydrophobicContact CG1-CD2 4.1Å; I181-Y340 HydrophobicContact CG1-CE2 4.38Å; I181-V343 HydrophobicContact CD1-CB 3.42Å; I181-V343 VanDerWaalsContact CD1-CB 3.42Å; I181-V343 HydrophobicContact CD1-CG1 3.39Å; I181-V343 HydrophobicContact CD1-CG2 3.96Å; I181-V343 HydrophobicContact CG1-CB 4.47Å; I181-V343 HydrophobicContact CG1-CG1 3.92Å
182R97.9Very high96.7Very high43 Ų4331 Ų3116%0.16215%0.154CC..  trans-144.1158.4178.3-172.4177177.7144.113.1109.2K99 T100 P184 R187 S190 Q239 T276 E277 Y340K99-R182 VanDerWaalsContact O-CD 3.26Å; K99-R182 WeakPolarHBondContact O-CD 3.21Å; T100-R182 HydrophobicContact CG2-CB 3.93Å; R182-P184 VanDerWaalsContact O-N 3.16Å; R182-R187 HydrophobicContact CB-CB 4.23Å; R182-R187 HydrophobicContact CG-CB 4.33Å; R182-S190 PolarHBondContact NH1-OG 3.47Å; R182-Q239 PolarHBondContact O-NE2 3.39Å; R182-Q239 PolarHBondContact O-OE1 3.4Å; R182-T276 HydrophobicContact CG-CG2 4.46Å; R182-E277 VanDerWaalsContact CG-OE1 3.23Å; R182-E277 WeakPolarHBondContact CG-OE1 3.32Å; R182-Y340 VanDerWaalsContact O-CD2 3.25Å; R182-Y340 WeakPolarHBondContact O-CD2 3.5Å
183N98.2Very high97Very high33 Ų3323.7 Ų23.718%0.17612%0.115CC..  trans-49.8127.4167.6176.6-73.5000109.9L185 D186 R187 E277 Q337 Y340N183-L185 VanDerWaalsContact C-N 3.34Å; N183-L185 PolarHBondContact O-N 2.9Å; N183-L185 PolarHBondContact OD1-N 3.07Å; N183-L185 VanDerWaalsContact OD1-N 3.1Å; N183-D186 HydrophobicContact CB-CB 3.99Å; N183-D186 PolarHBondContact O-N 3.31Å; N183-D186 PolarHBondContact OD1-N 3.27Å; N183-D186 VanDerWaalsContact OD1-N 3.1Å; N183-R187 WeakPolarHBondContact O-CB 3.43Å; N183-R187 PolarHBondContact O-N 2.97Å; N183-E277 PolarHBondContact N-OE1 3.23Å; N183-E277 VanDerWaalsContact N-OE1 3.1Å; N183-Q337 PolarHBondContact ND2-OE1 2.85Å; N183-Y340 HydrophobicContact CB-CE2 4.44Å
184P98.2Very high97.3Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-65.1-36.8-166.824.1-34.9000113R182 R187 L188 L236 E336 Q337R182-P184 VanDerWaalsContact O-N 3.16Å; P184-R187 WeakPolarHBondContact O-CB 3.14Å; P184-L188 PolarHBondContact O-N 3.32Å; P184-L188 VanDerWaalsContact O-N 3.09Å; P184-L236 HydrophobicContact CB-CD2 4.3Å; P184-L236 WeakPolarHBondContact O-CD2 3.5Å; P184-E336 HydrophobicContact CB-CB 3.75Å; P184-E336 HydrophobicContact CG-CB 4.06Å; P184-Q337 HydrophobicContact CG-CB 4.35Å
185L97.9Very high97.6Very high7 Ų717.6 Ų17.64%0.0378%0.083CC..Hα-helixtrans-73.1-43.4177.2-174.454.2000110.8N183 R187 L188 V189 F220 I319 T324 Y327N183-L185 VanDerWaalsContact C-N 3.34Å; N183-L185 PolarHBondContact O-N 2.9Å; N183-L185 PolarHBondContact OD1-N 3.07Å; N183-L185 VanDerWaalsContact OD1-N 3.1Å; L185-R187 PolarHBondContact O-N 3.48Å; L185-L188 PolarHBondContact O-N 2.84Å; L185-L188 VanDerWaalsContact O-N 3.14Å; L185-V189 HydrophobicContact CD1-CG2 4.26Å; L185-V189 HydrophobicContact CG-CG2 4.44Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.22Å; L185-V189 PolarHBondContact O-N 3.5Å; L185-F220 HydrophobicContact CD1-CE1 4.34Å; L185-F220 HydrophobicContact CD1-CZ 4.31Å; L185-I319 HydrophobicContact CD1-CD1 4.32Å; L185-I319 HydrophobicContact CD2-CD1 3.43Å; L185-I319 VanDerWaalsContact CD2-CD1 3.43Å; L185-I319 HydrophobicContact CG-CD1 3.76Å; L185-T324 HydrophobicContact CD2-CG2 4.28Å; L185-Y327 HydrophobicContact CD1-CD1 4.07Å; L185-Y327 HydrophobicContact CD1-CD2 3.82Å; L185-Y327 HydrophobicContact CD1-CE1 4.11Å; L185-Y327 HydrophobicContact CD1-CE2 3.99Å; L185-Y327 HydrophobicContact CD1-CG 3.84Å; L185-Y327 HydrophobicContact CD2-CD2 4.42Å; L185-Y327 HydrophobicContact CD2-CG 4.38Å
186D97.2Very high97.6Very high61 Ų6117.3 Ų17.333%0.3268%0.081SC..Hα-helixtrans-60.6-35.4173.9-76.8-35.1000112.7N183 S190N183-D186 HydrophobicContact CB-CB 3.99Å; N183-D186 PolarHBondContact O-N 3.31Å; N183-D186 PolarHBondContact OD1-N 3.27Å; N183-D186 VanDerWaalsContact OD1-N 3.1Å; D186-S190 WeakPolarHBondContact O-CB 3.12Å; D186-S190 PolarHBondContact O-N 2.62Å
187R97.2Very high97.5Very high8 Ų817.2 Ų17.23%0.038%0.078CC..Hα-helixtrans-62.5-48.5174-173.5-165.361.668.51.6110.7K99 R182 N183 P184 L185 S190 Y191 L235 L236K99-R187 HydrophobicContact CB-CG 3.97Å; R182-R187 HydrophobicContact CB-CB 4.23Å; R182-R187 HydrophobicContact CG-CB 4.33Å; N183-R187 WeakPolarHBondContact O-CB 3.43Å; N183-R187 PolarHBondContact O-N 2.97Å; P184-R187 WeakPolarHBondContact O-CB 3.14Å; L185-R187 PolarHBondContact O-N 3.48Å; R187-S190 PolarHBondContact O-N 3.09Å; R187-Y191 WeakPolarHBondContact O-CB 3.37Å; R187-Y191 PolarHBondContact O-N 3.12Å; R187-L235 PolarHBondContact NH2-O 3.14Å; R187-L236 PolarHBondContact NH2-O 2.7Å
188L97.8Very high97.4Very high1 Ų116.9 Ų16.91%0.0058%0.077CC..Hα-helixtrans-64-46.8178.6177.756.2000111.7P184 L185 S190 Y191 Y192 F220 L235 L236 Y327P184-L188 PolarHBondContact O-N 3.32Å; P184-L188 VanDerWaalsContact O-N 3.09Å; L185-L188 PolarHBondContact O-N 2.84Å; L185-L188 VanDerWaalsContact O-N 3.14Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 3.16Å; L188-Y191 WeakPolarHBondContact O-CB 3.42Å; L188-Y191 PolarHBondContact O-N 2.93Å; L188-Y191 VanDerWaalsContact O-N 3.1Å; L188-Y192 PolarHBondContact O-N 3.4Å; L188-F220 HydrophobicContact CD2-CZ 4.15Å; L188-F220 HydrophobicContact CG-CE2 4.09Å; L188-F220 HydrophobicContact CG-CZ 4.13Å; L188-L235 HydrophobicContact CD1-CB 3.53Å; L188-L235 HydrophobicContact CD1-CD1 4.07Å; L188-L235 HydrophobicContact CD1-CG 4.48Å; L188-L235 HydrophobicContact CD2-CB 4.27Å; L188-L236 HydrophobicContact CB-CD2 3.89Å; L188-L236 HydrophobicContact CD2-CD2 3.7Å; L188-L236 HydrophobicContact CD2-CG 3.87Å; L188-L236 HydrophobicContact CG-CD2 4.46Å; L188-Y327 HydrophobicContact CD2-CE1 3.93Å
189V97.8Very high97.1Very high4 Ų416.8 Ų16.82%0.0248%0.077CC..Hα-helixtrans-59.8-44.8176.1174.10000110.6L185 Y191 Y192 Y193 F220 K316 I319L185-V189 HydrophobicContact CD1-CG2 4.26Å; L185-V189 HydrophobicContact CG-CG2 4.44Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.22Å; L185-V189 PolarHBondContact O-N 3.5Å; V189-Y191 VanDerWaalsContact C-N 3.28Å; V189-Y191 PolarHBondContact O-N 2.92Å; V189-Y192 WeakPolarHBondContact O-CB 3.34Å; V189-Y192 PolarHBondContact O-N 2.72Å; V189-Y193 HydrophobicContact CG1-CD2 3.73Å; V189-Y193 HydrophobicContact CG1-CE2 3.69Å; V189-Y193 VanDerWaalsContact O-CD2 3.28Å; V189-Y193 WeakPolarHBondContact O-CD2 3.32Å; V189-Y193 PolarHBondContact O-N 3.17Å; V189-Y193 VanDerWaalsContact O-N 3.11Å; V189-F220 HydrophobicContact CG2-CD1 4.09Å; V189-F220 HydrophobicContact CG2-CD2 4.08Å; V189-F220 HydrophobicContact CG2-CE1 3.92Å; V189-F220 HydrophobicContact CG2-CE2 3.94Å; V189-F220 HydrophobicContact CG2-CG 4.14Å; V189-F220 HydrophobicContact CG2-CZ 3.84Å; V189-K316 HydrophobicContact CG1-CD 4.23Å; V189-K316 HydrophobicContact CG1-CG 4.2Å; V189-I319 HydrophobicContact CG1-CG2 4.18Å; V189-I319 HydrophobicContact CG2-CD1 4.3Å; V189-I319 HydrophobicContact CG2-CG2 3.68Å
190S96.4Very high96.6Very high5 Ų519.8 Ų19.84%0.0359%0.092CC..Hα-helixtrans-60.6-36.6175.7-1760000112.6K99 R182 D186 R187 L188 F194 T313K99-S190 WeakPolarHBondContact CE-OG 3.23Å; K99-S190 PolarHBondContact NZ-OG 3.24Å; R182-S190 PolarHBondContact NH1-OG 3.47Å; D186-S190 WeakPolarHBondContact O-CB 3.12Å; D186-S190 PolarHBondContact O-N 2.62Å; R187-S190 PolarHBondContact O-N 3.09Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 3.16Å; S190-F194 WeakPolarHBondContact O-CB 3.42Å; S190-F194 PolarHBondContact O-N 2.88Å; S190-T313 PolarHBondContact O-OG1 3.42Å
191Y96.4Very high96.1Very high86 Ų8625.5 Ų25.534%0.33712%0.115SC..Hα-helixtrans-69.8-45.2174.6-175.8-114.2000112.2K99 R187 L188 V189 Y193 F194 L195K99-Y191 HydrophobicContact CG-CD2 4.09Å; R187-Y191 WeakPolarHBondContact O-CB 3.37Å; R187-Y191 PolarHBondContact O-N 3.12Å; L188-Y191 WeakPolarHBondContact O-CB 3.42Å; L188-Y191 PolarHBondContact O-N 2.93Å; L188-Y191 VanDerWaalsContact O-N 3.1Å; V189-Y191 VanDerWaalsContact C-N 3.28Å; V189-Y191 PolarHBondContact O-N 2.92Å; Y191-Y193 PolarHBondContact O-N 2.86Å; Y191-F194 HydrophobicContact CD2-CD1 4.1Å; Y191-F194 HydrophobicContact CE2-CD1 4.3Å; Y191-F194 WeakPolarHBondContact O-CB 3.5Å; Y191-F194 PolarHBondContact O-N 3.15Å; Y191-F194 VanDerWaalsContact O-N 3.16Å; Y191-L195 HydrophobicContact CD1-CD1 4.27Å; Y191-L195 HydrophobicContact CE1-CD1 3.73Å; Y191-L195 HydrophobicContact CE1-CG 4.31Å; Y191-L195 HydrophobicContact CE2-CD2 4.11Å; Y191-L195 HydrophobicContact CE2-CG 4.32Å; Y191-L195 WeakPolarHBondContact O-CG 3.27Å; Y191-L195 PolarHBondContact O-N 3.4Å
192Y97.9Very high95.6Very high0 Ų030.5 Ų30.50%013%0.134CC..Hα-helixtrans-54.4-50.9178.5178.4-89.6000112L188 V189 L195 R196 Q218 T219 F220 C223 D230 C231L188-Y192 PolarHBondContact O-N 3.4Å; V189-Y192 WeakPolarHBondContact O-CB 3.34Å; V189-Y192 PolarHBondContact O-N 2.72Å; Y192-L195 PolarHBondContact O-N 2.78Å; Y192-R196 VanDerWaalsContact CE1-NE 3.27Å; Y192-R196 VanDerWaalsContact CE2-NH1 3.31Å; Y192-R196 VanDerWaalsContact CE2-NH2 3.33Å; Y192-R196 VanDerWaalsContact CZ-NH2 3.33Å; Y192-R196 PolarHBondContact O-NH1 3.22Å; Y192-R196 VanDerWaalsContact O-NH1 3.14Å; Y192-R196 VanDerWaalsContact OH-CZ 3.26Å; Y192-R196 PolarHBondContact OH-NE 2.82Å; Y192-R196 PolarHBondContact OH-NH2 3.38Å; Y192-Q218 PolarHBondContact OH-O 2.82Å; Y192-Q218 PolarHBondContact OH-OE1 3.13Å; Y192-T219 PolarHBondContact OH-O 3.31Å; Y192-F220 HydrophobicContact CD1-CB 4.17Å; Y192-F220 AromaticContact CD1-CD2 3.83Å; Y192-F220 HydrophobicContact CD1-CD2 3.83Å; Y192-F220 AromaticContact CD2-CD2 3.78Å; Y192-F220 HydrophobicContact CD2-CD2 3.78Å; Y192-F220 HydrophobicContact CD2-CE2 4.21Å; Y192-F220 HydrophobicContact CE1-CB 4.19Å; Y192-F220 HydrophobicContact CE1-CD2 4.4Å; Y192-F220 HydrophobicContact CE2-CD2 4.35Å; Y192-F220 AromaticContact CG-CD2 3.5Å; Y192-F220 HydrophobicContact CG-CD2 3.5Å; Y192-F220 VanDerWaalsContact CG-CD2 3.5Å; Y192-F220 HydrophobicContact CG-CE2 4.13Å; Y192-C223 HydrophobicContact CE2-CB 3.84Å; Y192-C223 WeakPolarHBondContact OH-CB 3.48Å; Y192-D230 HydrophobicContact CD2-CB 3.83Å; Y192-D230 WeakPolarHBondContact CD2-O 3.41Å; Y192-D230 HydrophobicContact CE2-CB 3.74Å; Y192-C231 HydrophobicContact CD2-CB 4.27Å; Y192-C231 HydrophobicContact CE2-CB 4.22Å
193Y97.9Very high95.1Very high3 Ų331.9 Ų31.91%0.01215%0.148CC..Hα-helixtrans-73.5-30.6178.8-74.4-67.7000112.5V189 Y191 L195 R196 Y197 F220 Y315 K316 L317V189-Y193 HydrophobicContact CG1-CD2 3.73Å; V189-Y193 HydrophobicContact CG1-CE2 3.69Å; V189-Y193 VanDerWaalsContact O-CD2 3.28Å; V189-Y193 WeakPolarHBondContact O-CD2 3.32Å; V189-Y193 PolarHBondContact O-N 3.17Å; V189-Y193 VanDerWaalsContact O-N 3.11Å; Y191-Y193 PolarHBondContact O-N 2.86Å; Y193-L195 VanDerWaalsContact C-N 3.3Å; Y193-L195 PolarHBondContact O-N 3.02Å; Y193-R196 PolarHBondContact O-N 3.36Å; Y193-R196 VanDerWaalsContact O-N 3.08Å; Y193-Y197 AromaticContact CD1-CD2 3.95Å; Y193-Y197 HydrophobicContact CD1-CD2 3.95Å; Y193-Y197 AromaticContact CD1-CE2 3.75Å; Y193-Y197 HydrophobicContact CD1-CE2 3.75Å; Y193-Y197 HydrophobicContact CE1-CE2 4.35Å; Y193-Y197 PolarHBondContact O-N 3Å; Y193-F220 HydrophobicContact CE2-CB 4.06Å; Y193-F220 PolarHBondContact OH-N 2.9Å; Y193-Y315 VanDerWaalsContact CB-O 3.32Å; Y193-Y315 WeakPolarHBondContact CB-O 3.21Å; Y193-K316 HydrophobicContact CD2-CB 4.28Å; Y193-K316 HydrophobicContact CD2-CG 3.63Å; Y193-K316 HydrophobicContact CE2-CG 4.16Å; Y193-K316 HydrophobicContact CG-CB 4.46Å; Y193-K316 HydrophobicContact CG-CG 4.27Å; Y193-L317 HydrophobicContact CE1-CB 4.5Å; Y193-L317 HydrophobicContact CE2-CB 4.49Å; Y193-L317 WeakPolarHBondContact CE2-O 3.29Å; Y193-L317 WeakPolarHBondContact OH-CB 3.44Å
194F96Very high94.9Very high19 Ų1940.6 Ų40.68%0.08318%0.18CC..Hα-helixtrans-60.5-37.8173.8165.2-107.5000112.7K99 S190 Y191 R196 G198 D199 R207 T313K99-F194 HydrophobicContact CD-CD1 4.42Å; K99-F194 HydrophobicContact CD-CG 4.4Å; S190-F194 WeakPolarHBondContact O-CB 3.42Å; S190-F194 PolarHBondContact O-N 2.88Å; Y191-F194 HydrophobicContact CD2-CD1 4.1Å; Y191-F194 HydrophobicContact CE2-CD1 4.3Å; Y191-F194 WeakPolarHBondContact O-CB 3.5Å; Y191-F194 PolarHBondContact O-N 3.15Å; Y191-F194 VanDerWaalsContact O-N 3.16Å; F194-R196 PolarHBondContact O-N 3.32Å; F194-G198 VanDerWaalsContact O-CA 3.28Å; F194-G198 WeakPolarHBondContact O-CA 3.34Å; F194-G198 PolarHBondContact O-N 2.56Å; F194-D199 HydrophobicContact CD2-CB 4.3Å; F194-D199 HydrophobicContact CE2-CB 4.19Å; F194-D199 WeakPolarHBondContact CE2-OD2 3.32Å; F194-R207 VanDerWaalsContact CE2-CZ 3.42Å; F194-R207 VanDerWaalsContact CZ-CZ 3.45Å; F194-T313 HydrophobicContact CB-CG2 4.23Å
195L95.8Very high94.6Very high33 Ų3344 Ų4417%0.17320%0.198CC..Hα-helixtrans-64.7-30.5175.8-66.1177.8000112.4Y191 Y192 Y193 R209 M210Y191-L195 HydrophobicContact CD1-CD1 4.27Å; Y191-L195 HydrophobicContact CE1-CD1 3.73Å; Y191-L195 HydrophobicContact CE1-CG 4.31Å; Y191-L195 HydrophobicContact CE2-CD2 4.11Å; Y191-L195 HydrophobicContact CE2-CG 4.32Å; Y191-L195 WeakPolarHBondContact O-CG 3.27Å; Y191-L195 PolarHBondContact O-N 3.4Å; Y192-L195 PolarHBondContact O-N 2.78Å; Y193-L195 VanDerWaalsContact C-N 3.3Å; Y193-L195 PolarHBondContact O-N 3.02Å; L195-R209 HydrophobicContact CB-CB 4.16Å; L195-R209 HydrophobicContact CB-CG 4.04Å; L195-R209 WeakPolarHBondContact O-CB 3.45Å; L195-M210 WeakPolarHBondContact O-CG 3.47Å
196R97.2Very high94.4Very high1 Ų148.5 Ų48.50%0.00422%0.22CC..Hα-helixtrans-92.2-35.3-172.9-68169.3167.160.79.7114Y192 Y193 F194 R209 M210 T215 R216 D230Y192-R196 VanDerWaalsContact CE1-NE 3.27Å; Y192-R196 VanDerWaalsContact CE2-NH1 3.31Å; Y192-R196 VanDerWaalsContact CE2-NH2 3.33Å; Y192-R196 VanDerWaalsContact CZ-NH2 3.33Å; Y192-R196 PolarHBondContact O-NH1 3.22Å; Y192-R196 VanDerWaalsContact O-NH1 3.14Å; Y192-R196 VanDerWaalsContact OH-CZ 3.26Å; Y192-R196 PolarHBondContact OH-NE 2.82Å; Y192-R196 PolarHBondContact OH-NH2 3.38Å; Y193-R196 PolarHBondContact O-N 3.36Å; Y193-R196 VanDerWaalsContact O-N 3.08Å; F194-R196 PolarHBondContact O-N 3.32Å; R196-R209 HydrophobicContact CG-CB 4.22Å; R196-M210 WeakPolarHBondContact O-CG 3.27Å; R196-T215 PolarHBondContact NE-O 2.85Å; R196-T215 PolarHBondContact NH2-O 2.78Å; R196-R216 HydrophobicContact CB-CG 4.08Å; R196-R216 WeakPolarHBondContact CD-O 3.34Å; R196-R216 WeakPolarHBondContact O-CD 2.74Å; R196-R216 WeakPolarHBondContact O-CG 3.43Å; R196-D230 IonicContact CZ-OD2 2.71Å; R196-D230 IonicContact NH1-OD2 3.97Å; R196-D230 PolarHBondContact NH1-OD2 3.49Å; R196-D230 VanDerWaalsContact NH1-OD2 3.11Å; R196-D230 IonicContact NH2-OD2 3.54Å; R196-D230 PolarHBondContact NH2-OD2 3.08Å
197Y96Very high94.2Very high47 Ų4747.1 Ų47.118%0.18421%0.21CC..Hα-helixtrans-121.7-4.8-172.4-60.8-78.5000113.6Y193 R216 N314 Y315Y193-Y197 AromaticContact CD1-CD2 3.95Å; Y193-Y197 HydrophobicContact CD1-CD2 3.95Å; Y193-Y197 AromaticContact CD1-CE2 3.75Å; Y193-Y197 HydrophobicContact CD1-CE2 3.75Å; Y193-Y197 HydrophobicContact CE1-CE2 4.35Å; Y193-Y197 PolarHBondContact O-N 3Å; Y197-R216 HydrophobicContact CE1-CG 4.08Å; Y197-R216 PolarHBondContact OH-O 3.49Å; Y197-N314 PolarHBondContact O-ND2 3.48Å; Y197-Y315 HydrophobicContact CD1-CD1 4.28Å; Y197-Y315 HydrophobicContact CD1-CG 4.48Å; Y197-Y315 AromaticContact CD2-CD1 3.94Å; Y197-Y315 HydrophobicContact CD2-CD1 3.94Å; Y197-Y315 AromaticContact CE1-CD1 3.97Å; Y197-Y315 HydrophobicContact CE1-CD1 3.97Å; Y197-Y315 AromaticContact CE2-CD1 3.66Å; Y197-Y315 HydrophobicContact CE2-CD1 3.66Å; Y197-Y315 HydrophobicContact CE2-CE1 4.37Å; Y197-Y315 HydrophobicContact CG-CD1 4.26Å; Y197-Y315 HydrophobicContact CG-CG 4.49Å; Y197-Y315 AromaticContact CZ-CD1 3.65Å
198G95Very high94Very high2 Ų254.8 Ų54.82%0.02124%0.244CC..  trans68.4-150.9-178.600000113F194 T313 N314F194-G198 VanDerWaalsContact O-CA 3.28Å; F194-G198 WeakPolarHBondContact O-CA 3.34Å; F194-G198 PolarHBondContact O-N 2.56Å; G198-T313 WeakPolarHBondContact O-CA 3.48Å; G198-N314 PolarHBondContact O-N 2.86Å
199D92.8Very high93.9Very high0 Ų058.2 Ų58.20%026%0.257CS..BIsolated β-bridgetrans-138.9167.5-178.952.337.3000111.2F194 Y201 R202 R207 R311 R312 N314F194-D199 HydrophobicContact CD2-CB 4.3Å; F194-D199 HydrophobicContact CE2-CB 4.19Å; F194-D199 WeakPolarHBondContact CE2-OD2 3.32Å; D199-Y201 VanDerWaalsContact C-N 3.29Å; D199-R202 WeakPolarHBondContact OD1-CA 3.35Å; D199-R202 WeakPolarHBondContact OD1-CB 3.36Å; D199-R202 PolarHBondContact OD1-N 2.99Å; D199-R207 IonicContact OD2-NH2 2.85Å; D199-R311 HydrophobicContact CB-CG 3.93Å; D199-R311 IonicContact OD2-CZ 3.51Å; D199-R311 IonicContact OD2-NE 3.34Å; D199-R311 PolarHBondContact OD2-NE 3Å; D199-R311 IonicContact OD2-NH2 3.81Å; D199-R311 PolarHBondContact OD2-NH2 3.42Å; D199-R312 WeakPolarHBondContact CA-O 3.38Å; D199-R312 VanDerWaalsContact CB-O 3.26Å; D199-R312 WeakPolarHBondContact CB-O 3.18Å; D199-N314 VanDerWaalsContact C-ND2 3.34Å; D199-N314 PolarHBondContact N-ND2 3.01Å; D199-N314 PolarHBondContact O-ND2 3.4Å; D199-N314 VanDerWaalsContact O-ND2 3.1Å; D199-N314 PolarHBondContact O-OD1 3.26Å
200D89.3Confident93.7Very high62 Ų6259.3 Ų59.333%0.33226%0.262SS..SBendtrans-76.4-18.6175.253.70.4000112.5R311 R312 N314D200-R311 WeakPolarHBondContact OD1-CA 3.32Å; D200-R312 PolarHBondContact N-O 3.19Å; D200-R312 PolarHBondContact OD1-N 3.44Å; D200-R312 IonicContact OD2-NE 3.01Å; D200-N314 WeakPolarHBondContact CA-OD1 3.27Å; D200-N314 PolarHBondContact N-OD1 3.13Å
201Y86.7Confident93.6Very high121 Ų12165.7 Ų65.748%0.47529%0.289SS..SBendtrans-79.7-33.5-178.6-172.9-110.1000114.2T103 D199 R311T103-Y201 HydrophobicContact CG2-CD1 4.17Å; T103-Y201 HydrophobicContact CG2-CE1 4.08Å; T103-Y201 HydrophobicContact CG2-CE2 4.49Å; T103-Y201 HydrophobicContact CG2-CG 4.44Å; D199-Y201 VanDerWaalsContact C-N 3.29Å; Y201-R311 HydrophobicContact CG-CG 4.5Å
202R88.8Confident93.5Very high104 Ų10465.1 Ų65.139%0.39229%0.292SS..  trans-134.468.4178.9-67.6177.9-63.3176.5-1.1109.5D199 Y204 L205D199-R202 WeakPolarHBondContact OD1-CA 3.35Å; D199-R202 WeakPolarHBondContact OD1-CB 3.36Å; D199-R202 PolarHBondContact OD1-N 2.99Å; R202-Y204 PolarHBondContact O-N 2.93Å; R202-L205 HydrophobicContact CB-CB 3.95Å; R202-L205 WeakPolarHBondContact O-CB 3.41Å; R202-L205 PolarHBondContact O-N 3.16Å; R202-L205 VanDerWaalsContact O-N 3.07Å
203P87.7Confident93.3Very high72 Ų7269.8 Ų69.847%0.46832%0.317SS..THydrogen-bonded Turntrans-61.7-29.3-174.224.1-34.2000112.9
204Y92.9Very high93.2Very high217 Ų21775.1 Ų75.185%0.85135%0.349SS*.THydrogen-bonded Turntrans-83.8-6.8-179.6-50.3-66.7000114.2R202 M206R202-Y204 PolarHBondContact O-N 2.93Å; Y204-M206 PolarHBondContact O-N 3.35Å; Y204-M206 VanDerWaalsContact O-N 3.14Å
205L93Very high93.2Very high70 Ų7076 Ų7637%0.36636%0.356SS..  trans-80.199.7-179.6179.557.9000110.5R202 R207R202-L205 HydrophobicContact CB-CB 3.95Å; R202-L205 WeakPolarHBondContact O-CB 3.41Å; R202-L205 PolarHBondContact O-N 3.16Å; R202-L205 VanDerWaalsContact O-N 3.07Å; L205-R207 PolarHBondContact O-NH1 3.2Å
206M92.5Very high93.2Very high102 Ų10278.1 Ų78.150%0.50236%0.362SS..  trans-76.5135.3176.1-63.4-60-76.200111.7Y204 M210 F211Y204-M206 PolarHBondContact O-N 3.35Å; Y204-M206 VanDerWaalsContact O-N 3.14Å; M206-M210 HydrophobicContact CE-CB 4.25Å; M206-M210 HydrophobicContact SD-CE 4.26Å; M206-M210 HydrophobicContact SD-SD 4.4Å; M206-F211 HydrophobicContact CB-CE1 4.38Å; M206-F211 HydrophobicContact CB-CE2 4.26Å; M206-F211 HydrophobicContact CB-CZ 3.69Å; M206-F211 HydrophobicContact CE-CD1 4.31Å; M206-F211 HydrophobicContact CE-CE1 3.9Å; M206-F211 HydrophobicContact CE-CZ 4.31Å; M206-F211 HydrophobicContact CG-CZ 4.43Å
207R92.5Very high93.2Very high32 Ų3282.3 Ų82.312%0.12138%0.384CS..  trans-118156.2179.4-62.3170-176.272.54110.3F194 D199 L205 R209 M210 F211F194-R207 VanDerWaalsContact CE2-CZ 3.42Å; F194-R207 VanDerWaalsContact CZ-CZ 3.45Å; D199-R207 IonicContact OD2-NH2 2.85Å; L205-R207 PolarHBondContact O-NH1 3.2Å; R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 3.37Å; R207-R209 VanDerWaalsContact O-N 3.14Å; R207-M210 HydrophobicContact CB-CG 3.98Å; R207-M210 HydrophobicContact CB-SD 4Å; R207-M210 HydrophobicContact CG-SD 4.27Å; R207-M210 PolarHBondContact N-SD 3.1Å; R207-M210 VanDerWaalsContact N-SD 3.39Å; R207-M210 VanDerWaalsContact O-CB 3.3Å; R207-M210 WeakPolarHBondContact O-CB 3.49Å; R207-M210 PolarHBondContact O-N 2.75Å; R207-F211 VanDerWaalsContact O-CD2 3.31Å; R207-F211 WeakPolarHBondContact O-CD2 3.37Å; R207-F211 WeakPolarHBondContact O-CE2 3.39Å
208K94Very high93.2Very high170 Ų17082.4 Ų82.474%0.73939%0.386SS*.Hα-helixtrans-50.3-43-178.1-173.2175.4-179.6176.30113.6M210K208-M210 PolarHBondContact O-N 3.08Å
209R94.7Very high93.4Very high73 Ų7383.8 Ų83.828%0.27540%0.395SS..Hα-helixtrans-76.7-4.2-178.3-57-71.1-172.2-126.33.1113.9L195 R196 R207 T215 R216 D230L195-R209 HydrophobicContact CB-CB 4.16Å; L195-R209 HydrophobicContact CB-CG 4.04Å; L195-R209 WeakPolarHBondContact O-CB 3.45Å; R196-R209 HydrophobicContact CG-CB 4.22Å; R207-R209 VanDerWaalsContact C-N 3.26Å; R207-R209 PolarHBondContact O-N 3.37Å; R207-R209 VanDerWaalsContact O-N 3.14Å; R209-T215 HydrophobicContact CB-CG2 4.41Å; R209-T215 VanDerWaalsContact CD-CG2 3.4Å; R209-T215 HydrophobicContact CG-CG2 4.48Å; R209-R216 WeakPolarHBondContact O-CB 3.43Å; R209-D230 WeakPolarHBondContact CD-OD2 3.5Å; R209-D230 IonicContact CZ-OD1 3.4Å; R209-D230 IonicContact CZ-OD2 3.9Å; R209-D230 IonicContact NE-OD1 3.52Å; R209-D230 PolarHBondContact NE-OD1 2.88Å; R209-D230 IonicContact NE-OD2 2.65Å; R209-D230 PolarHBondContact NE-OD2 3.19Å; R209-D230 IonicContact NH2-OD1 3.03Å; R209-D230 PolarHBondContact NH2-OD1 3.07Å; R209-D230 IonicContact NH2-OD2 2.63Å
210M94.5Very high93.6Very high27 Ų2783.8 Ų83.813%0.13340%0.395CS..Hα-helixtrans-86.6-22176.7-56.1-177.972.100112.5L195 R196 M206 R207 K208L195-M210 WeakPolarHBondContact O-CG 3.47Å; R196-M210 WeakPolarHBondContact O-CG 3.27Å; M206-M210 HydrophobicContact CE-CB 4.25Å; M206-M210 HydrophobicContact SD-CE 4.26Å; M206-M210 HydrophobicContact SD-SD 4.4Å; R207-M210 HydrophobicContact CB-CG 3.98Å; R207-M210 HydrophobicContact CB-SD 4Å; R207-M210 HydrophobicContact CG-SD 4.27Å; R207-M210 PolarHBondContact N-SD 3.1Å; R207-M210 VanDerWaalsContact N-SD 3.39Å; R207-M210 VanDerWaalsContact O-CB 3.3Å; R207-M210 WeakPolarHBondContact O-CB 3.49Å; R207-M210 PolarHBondContact O-N 2.75Å; K208-M210 PolarHBondContact O-N 3.08Å
211F94.3Very high94.1Very high138 Ų13882.5 Ų82.561%0.60539%0.388SS*.Hα-helixtrans-81.4-40.5-175.2-65-72000113.2M206 R207 L213M206-F211 HydrophobicContact CB-CE1 4.38Å; M206-F211 HydrophobicContact CB-CE2 4.26Å; M206-F211 HydrophobicContact CB-CZ 3.69Å; M206-F211 HydrophobicContact CE-CD1 4.31Å; M206-F211 HydrophobicContact CE-CE1 3.9Å; M206-F211 HydrophobicContact CE-CZ 4.31Å; M206-F211 HydrophobicContact CG-CZ 4.43Å; R207-F211 VanDerWaalsContact O-CD2 3.31Å; R207-F211 WeakPolarHBondContact O-CD2 3.37Å; R207-F211 WeakPolarHBondContact O-CE2 3.39Å; F211-L213 PolarHBondContact O-N 2.63Å
212D93.9Very high94.6Very high74 Ų7481.2 Ų81.240%0.39639%0.386SS..  trans-83.9111.7176.9174.237.2000110.4V214 T215 R216D212-V214 VanDerWaalsContact C-N 3.27Å; D212-V214 PolarHBondContact O-N 2.65Å; D212-V214 PolarHBondContact OD1-N 3.27Å; D212-T215 PolarHBondContact O-N 3.33Å; D212-T215 WeakPolarHBondContact OD2-CB 3.49Å; D212-T215 PolarHBondContact OD2-N 3.13Å; D212-T215 PolarHBondContact OD2-OG1 3.27Å; D212-R216 WeakPolarHBondContact O-CB 3.27Å; D212-R216 PolarHBondContact O-N 3.05Å
213L94.9Very high95.1Very high99 Ų9976.3 Ų76.352%0.51837%0.367SS..Hα-helixtrans-60.6-36.8-177.5-65179.5000112.2F211 R216 N217F211-L213 PolarHBondContact O-N 2.63Å; L213-R216 PolarHBondContact O-N 3.11Å; L213-N217 VanDerWaalsContact O-CB 3.26Å; L213-N217 WeakPolarHBondContact O-CB 3.43Å; L213-N217 VanDerWaalsContact O-CG 3.26Å; L213-N217 PolarHBondContact O-N 3.18Å
214V95.7Very high95.6Very high115 Ų11573.5 Ų73.570%0.69735%0.349SS*.Hα-helixtrans-66.5-53.6-179.6179.60000109.5D212 R216 N217 Q218D212-V214 VanDerWaalsContact C-N 3.27Å; D212-V214 PolarHBondContact O-N 2.65Å; D212-V214 PolarHBondContact OD1-N 3.27Å; V214-R216 VanDerWaalsContact C-N 3.29Å; V214-R216 PolarHBondContact O-N 2.84Å; V214-N217 PolarHBondContact O-N 2.96Å; V214-Q218 PolarHBondContact O-N 3.44Å
215T95.1Very high95.8Very high37 Ų3769.8 Ų69.823%0.22734%0.343CS..Hα-helixtrans-60.6-38.4176-63.10000112.3R196 R209 D212R196-T215 PolarHBondContact NE-O 2.85Å; R196-T215 PolarHBondContact NH2-O 2.78Å; R209-T215 HydrophobicContact CB-CG2 4.41Å; R209-T215 VanDerWaalsContact CD-CG2 3.4Å; R209-T215 HydrophobicContact CG-CG2 4.48Å; D212-T215 PolarHBondContact O-N 3.33Å; D212-T215 WeakPolarHBondContact OD2-CB 3.49Å; D212-T215 PolarHBondContact OD2-N 3.13Å; D212-T215 PolarHBondContact OD2-OG1 3.27Å
216R95.8Very high95.9Very high78 Ų7871.1 Ų71.129%0.29435%0.354SS..Hα-helixtrans-65.2-45.6-179.3-173.3179.373.6-172.29.4112.3R196 Y197 R209 D212 L213 V214R196-R216 HydrophobicContact CB-CG 4.08Å; R196-R216 WeakPolarHBondContact CD-O 3.34Å; R196-R216 WeakPolarHBondContact O-CD 2.74Å; R196-R216 WeakPolarHBondContact O-CG 3.43Å; Y197-R216 HydrophobicContact CE1-CG 4.08Å; Y197-R216 PolarHBondContact OH-O 3.49Å; R209-R216 WeakPolarHBondContact O-CB 3.43Å; D212-R216 WeakPolarHBondContact O-CB 3.27Å; D212-R216 PolarHBondContact O-N 3.05Å; L213-R216 PolarHBondContact O-N 3.11Å; V214-R216 VanDerWaalsContact C-N 3.29Å; V214-R216 PolarHBondContact O-N 2.84Å
217N96.3Very high96.2Very high88 Ų8873.5 Ų73.547%0.47137%0.369SS..Hα-helixtrans-85.4-15.3-174.4-65.8-5.5000112.6L213 V214 T219L213-N217 VanDerWaalsContact O-CB 3.26Å; L213-N217 WeakPolarHBondContact O-CB 3.43Å; L213-N217 VanDerWaalsContact O-CG 3.26Å; L213-N217 PolarHBondContact O-N 3.18Å; V214-N217 PolarHBondContact O-N 2.96Å; N217-T219 PolarHBondContact O-N 3.47Å
218Q97.7Very high96.4Very high49 Ų4972.8 Ų72.823%0.22937%0.371CS..  trans-54125170.8-170.2-172.945.300110.1Y192 V214 E222 C223Y192-Q218 PolarHBondContact OH-O 2.82Å; Y192-Q218 PolarHBondContact OH-OE1 3.13Å; V214-Q218 PolarHBondContact O-N 3.44Å; Q218-E222 VanDerWaalsContact CA-OE2 3.31Å; Q218-E222 WeakPolarHBondContact CA-OE2 3.34Å; Q218-E222 HydrophobicContact CG-CB 3.81Å; Q218-C223 HydrophobicContact CG-CB 4.38Å
219T98Very high96.6Very high32 Ų3269 Ų6920%0.19637%0.366CS..  trans-75.5159.7175.671.10000110.7Y192 N217 D221 E222 C223 L317Y192-T219 PolarHBondContact OH-O 3.31Å; N217-T219 PolarHBondContact O-N 3.47Å; T219-D221 PolarHBondContact O-N 2.85Å; T219-E222 PolarHBondContact N-OE2 2.91Å; T219-E222 PolarHBondContact O-N 2.71Å; T219-E222 WeakPolarHBondContact OG1-CB 3.41Å; T219-E222 VanDerWaalsContact OG1-CG 3.26Å; T219-E222 WeakPolarHBondContact OG1-CG 3.49Å; T219-E222 PolarHBondContact OG1-N 3.35Å; T219-E222 VanDerWaalsContact OG1-N 3.1Å; T219-E222 PolarHBondContact OG1-OE2 2.87Å; T219-C223 PolarHBondContact O-N 3.25Å; T219-L317 HydrophobicContact CG2-CD1 3.77Å
220F98.3Very high96.6Very high0 Ų066.6 Ų66.60%036%0.359CS..Hα-helixtrans-58.7-38.8174.6-168.2-90.2000111.8L185 L188 V189 Y192 Y193 C223 V224 C231 I319 T323 Y327L185-F220 HydrophobicContact CD1-CE1 4.34Å; L185-F220 HydrophobicContact CD1-CZ 4.31Å; L188-F220 HydrophobicContact CD2-CZ 4.15Å; L188-F220 HydrophobicContact CG-CE2 4.09Å; L188-F220 HydrophobicContact CG-CZ 4.13Å; V189-F220 HydrophobicContact CG2-CD1 4.09Å; V189-F220 HydrophobicContact CG2-CD2 4.08Å; V189-F220 HydrophobicContact CG2-CE1 3.92Å; V189-F220 HydrophobicContact CG2-CE2 3.94Å; V189-F220 HydrophobicContact CG2-CG 4.14Å; V189-F220 HydrophobicContact CG2-CZ 3.84Å; Y192-F220 HydrophobicContact CD1-CB 4.17Å; Y192-F220 AromaticContact CD1-CD2 3.83Å; Y192-F220 HydrophobicContact CD1-CD2 3.83Å; Y192-F220 AromaticContact CD2-CD2 3.78Å; Y192-F220 HydrophobicContact CD2-CD2 3.78Å; Y192-F220 HydrophobicContact CD2-CE2 4.21Å; Y192-F220 HydrophobicContact CE1-CB 4.19Å; Y192-F220 HydrophobicContact CE1-CD2 4.4Å; Y192-F220 HydrophobicContact CE2-CD2 4.35Å; Y192-F220 AromaticContact CG-CD2 3.5Å; Y192-F220 HydrophobicContact CG-CD2 3.5Å; Y192-F220 VanDerWaalsContact CG-CD2 3.5Å; Y192-F220 HydrophobicContact CG-CE2 4.13Å; Y193-F220 HydrophobicContact CE2-CB 4.06Å; Y193-F220 PolarHBondContact OH-N 2.9Å; F220-C223 WeakPolarHBondContact O-CB 3.18Å; F220-C223 PolarHBondContact O-N 3.18Å; F220-V224 HydrophobicContact CD1-CG2 4.06Å; F220-V224 HydrophobicContact CE1-CG2 3.88Å; F220-V224 WeakPolarHBondContact O-CG2 3.02Å; F220-V224 PolarHBondContact O-N 2.81Å; F220-C231 HydrophobicContact CD2-CB 4.11Å; F220-C231 HydrophobicContact CE1-CB 4.49Å; F220-C231 HydrophobicContact CE2-CB 3.75Å; F220-C231 HydrophobicContact CZ-CB 3.98Å; F220-I319 HydrophobicContact CB-CG2 4.05Å; F220-I319 HydrophobicContact CD1-CG2 3.55Å; F220-I319 HydrophobicContact CE1-CG2 4.26Å; F220-I319 HydrophobicContact CG-CG2 4.01Å; F220-T323 HydrophobicContact CD1-CG2 3.96Å; F220-T323 HydrophobicContact CE1-CG2 3.94Å; F220-Y327 AromaticContact CE1-CE2 3.64Å; F220-Y327 HydrophobicContact CE1-CE2 3.64Å; F220-Y327 AromaticContact CE1-CZ 3.96Å; F220-Y327 HydrophobicContact CZ-CE2 4.01Å; F220-Y327 AromaticContact CZ-CZ 3.82Å; F220-Y327 WeakPolarHBondContact CZ-OH 2.93Å
221D98.2Very high96.8Very high35 Ų3565.5 Ų65.519%0.18735%0.353CS..Hα-helixtrans-66.1-45.6178.5-70.1-16.6000111.3T219 C223 V224 L225 S320 T323T219-D221 PolarHBondContact O-N 2.85Å; D221-C223 VanDerWaalsContact C-N 3.29Å; D221-C223 PolarHBondContact O-N 3.35Å; D221-V224 PolarHBondContact O-N 2.83Å; D221-V224 VanDerWaalsContact O-N 3.12Å; D221-L225 WeakPolarHBondContact O-CG 3.41Å; D221-L225 PolarHBondContact O-N 2.71Å; D221-S320 PolarHBondContact OD1-N 3.11Å; D221-S320 VanDerWaalsContact OD2-CB 3.26Å; D221-S320 WeakPolarHBondContact OD2-CB 3.43Å; D221-S320 PolarHBondContact OD2-N 3.02Å; D221-S320 PolarHBondContact OD2-OG 2.93Å; D221-T323 VanDerWaalsContact CG-OG1 3.24Å; D221-T323 WeakPolarHBondContact OD1-CB 3.49Å; D221-T323 WeakPolarHBondContact OD1-CG2 3.31Å; D221-T323 PolarHBondContact OD1-OG1 3.18Å
222E98.2Very high97Very high94 Ų9460.1 Ų60.144%0.43933%0.333SS..Hα-helixtrans-59.5-40174.1-74.3164.6175.500112.2Q218 T219 V224 L225 V226Q218-E222 VanDerWaalsContact CA-OE2 3.31Å; Q218-E222 WeakPolarHBondContact CA-OE2 3.34Å; Q218-E222 HydrophobicContact CG-CB 3.81Å; T219-E222 PolarHBondContact N-OE2 2.91Å; T219-E222 PolarHBondContact O-N 2.71Å; T219-E222 WeakPolarHBondContact OG1-CB 3.41Å; T219-E222 VanDerWaalsContact OG1-CG 3.26Å; T219-E222 WeakPolarHBondContact OG1-CG 3.49Å; T219-E222 PolarHBondContact OG1-N 3.35Å; T219-E222 VanDerWaalsContact OG1-N 3.1Å; T219-E222 PolarHBondContact OG1-OE2 2.87Å; E222-V224 VanDerWaalsContact C-N 3.33Å; E222-V224 PolarHBondContact O-N 3.27Å; E222-L225 PolarHBondContact O-N 2.97Å; E222-V226 WeakPolarHBondContact O-CG2 3.44Å; E222-V226 PolarHBondContact O-N 3.5Å
223C98.3Very high97.1Very high0 Ų058 Ų580%032%0.324CS..Hα-helixtrans-60.4-44.4175.1177.90000111.4Y192 Q218 T219 F220 D221 V226 N227 G228 C231Y192-C223 HydrophobicContact CE2-CB 3.84Å; Y192-C223 WeakPolarHBondContact OH-CB 3.48Å; Q218-C223 HydrophobicContact CG-CB 4.38Å; T219-C223 PolarHBondContact O-N 3.25Å; F220-C223 WeakPolarHBondContact O-CB 3.18Å; F220-C223 PolarHBondContact O-N 3.18Å; D221-C223 VanDerWaalsContact C-N 3.29Å; D221-C223 PolarHBondContact O-N 3.35Å; C223-V226 WeakPolarHBondContact O-CG2 3.49Å; C223-V226 PolarHBondContact O-N 3.11Å; C223-N227 PolarHBondContact O-N 3.29Å; C223-G228 PolarHBondContact O-N 2.89Å; C223-C231 VanDerWaalsContact CA-SG 3.59Å; C223-C231 HydrophobicContact CB-CB 3.84Å; C223-C231 WeakPolarHBondContact CB-SG 3.43Å; C223-C231 PolarHBondContact O-SG 3.09Å; C223-C231 WeakPolarHBondContact SG-CB 3.46Å; C223-C231 CovalentContact SG-SG 2.03Å; C223-C231 PolarHBondContact SG-SG 3.06Å
224V98Very high97.2Very high14 Ų1458.8 Ų58.89%0.08533%0.325CS..Hα-helixtrans-65.7-41.3-179.5171.10000110.8F220 D221 E222 V226 N227 C231 T323 I326 Y327F220-V224 HydrophobicContact CD1-CG2 4.06Å; F220-V224 HydrophobicContact CE1-CG2 3.88Å; F220-V224 WeakPolarHBondContact O-CG2 3.02Å; F220-V224 PolarHBondContact O-N 2.81Å; D221-V224 PolarHBondContact O-N 2.83Å; D221-V224 VanDerWaalsContact O-N 3.12Å; E222-V224 VanDerWaalsContact C-N 3.33Å; E222-V224 PolarHBondContact O-N 3.27Å; V224-V226 PolarHBondContact O-N 3.44Å; V224-N227 PolarHBondContact O-N 3.26Å; V224-N227 VanDerWaalsContact O-N 3.07Å; V224-C231 HydrophobicContact CG2-CB 3.99Å; V224-C231 PolarHBondContact N-SG 3.29Å; V224-T323 HydrophobicContact CB-CG2 4.37Å; V224-T323 HydrophobicContact CG1-CG2 4.39Å; V224-T323 HydrophobicContact CG2-CG2 3.94Å; V224-I326 HydrophobicContact CG1-CD1 3.75Å; V224-I326 HydrophobicContact CG1-CG2 4.33Å; V224-Y327 HydrophobicContact CG2-CE2 3.87Å
225L97.1Very high97.3Very high139 Ų13956.2 Ų56.273%0.72831%0.307SS*.Hα-helixtrans-57.4-33.6176.9-70.9174.4000112.9D221 E222D221-L225 WeakPolarHBondContact O-CG 3.41Å; D221-L225 PolarHBondContact O-N 2.71Å; E222-L225 PolarHBondContact O-N 2.97Å
226V97Very high97.4Very high98 Ų9854.5 Ų54.559%0.59430%0.296SS*.THydrogen-bonded Turntrans-99.312.3179.6-53.90000113.7E222 C223 V224 G228E222-V226 WeakPolarHBondContact O-CG2 3.44Å; E222-V226 PolarHBondContact O-N 3.5Å; C223-V226 WeakPolarHBondContact O-CG2 3.49Å; C223-V226 PolarHBondContact O-N 3.11Å; V224-V226 PolarHBondContact O-N 3.44Å; V226-G228 PolarHBondContact O-N 3.36Å
227N96.9Very high97.5Very high152 Ų15251.7 Ų51.781%0.81329%0.285SS*.THydrogen-bonded Turntrans51.541.4-175-67.8-47.5000113.3C223 V224C223-N227 PolarHBondContact O-N 3.29Å; V224-N227 PolarHBondContact O-N 3.26Å; V224-N227 VanDerWaalsContact O-N 3.07Å
228G97.8Very high97.6Very high16 Ų1648.7 Ų48.717%0.16527%0.27CS..  trans-64.7144.5-177.900000113.2C223 V226 D230 C231 S232C223-G228 PolarHBondContact O-N 2.89Å; V226-G228 PolarHBondContact O-N 3.36Å; G228-D230 VanDerWaalsContact C-N 3.32Å; G228-D230 PolarHBondContact O-N 2.85Å; G228-C231 CarbonylContact O-C 2.97Å; G228-C231 PolarHBondContact O-N 3.06Å; G228-C231 PolarHBondContact O-SG 3.47Å; G228-S232 PolarHBondContact O-N 2.83Å
229S97.2Very high97.6Very high90 Ų9046.3 Ų46.363%0.62926%0.259SS*.G310 helixtrans-68.6-26.8-176.156.10000114.2C231 L235S229-C231 VanDerWaalsContact C-N 3.27Å; S229-C231 PolarHBondContact O-N 3.31Å; S229-L235 WeakPolarHBondContact O-CD1 3.16Å
230D96.7Very high97.7Very high24 Ų2444.8 Ų44.813%0.12825%0.25CC..G310 helixtrans-74.9-15.1179.3-78.40000113.1Y192 R196 R209 G228 L235Y192-D230 HydrophobicContact CD2-CB 3.83Å; Y192-D230 WeakPolarHBondContact CD2-O 3.41Å; Y192-D230 HydrophobicContact CE2-CB 3.74Å; R196-D230 IonicContact CZ-OD2 2.71Å; R196-D230 IonicContact NH1-OD2 3.97Å; R196-D230 PolarHBondContact NH1-OD2 3.49Å; R196-D230 VanDerWaalsContact NH1-OD2 3.11Å; R196-D230 IonicContact NH2-OD2 3.54Å; R196-D230 PolarHBondContact NH2-OD2 3.08Å; R209-D230 WeakPolarHBondContact CD-OD2 3.5Å; R209-D230 IonicContact CZ-OD1 3.4Å; R209-D230 IonicContact CZ-OD2 3.9Å; R209-D230 IonicContact NE-OD1 3.52Å; R209-D230 PolarHBondContact NE-OD1 2.88Å; R209-D230 IonicContact NE-OD2 2.65Å; R209-D230 PolarHBondContact NE-OD2 3.19Å; R209-D230 IonicContact NH2-OD1 3.03Å; R209-D230 PolarHBondContact NH2-OD1 3.07Å; R209-D230 IonicContact NH2-OD2 2.63Å; G228-D230 VanDerWaalsContact C-N 3.32Å; G228-D230 PolarHBondContact O-N 2.85Å; D230-L235 VanDerWaalsContact O-CD1 3.27Å; D230-L235 WeakPolarHBondContact O-CD1 3.49Å
231C97.9Very high97.6Very high3 Ų344.9 Ų44.92%0.0225%0.25CC..G310 helixtrans-125.429.4179.160.30000110.8Y192 F220 C223 V224 G228 S229 Y327Y192-C231 HydrophobicContact CD2-CB 4.27Å; Y192-C231 HydrophobicContact CE2-CB 4.22Å; F220-C231 HydrophobicContact CD2-CB 4.11Å; F220-C231 HydrophobicContact CE1-CB 4.49Å; F220-C231 HydrophobicContact CE2-CB 3.75Å; F220-C231 HydrophobicContact CZ-CB 3.98Å; C223-C231 VanDerWaalsContact CA-SG 3.59Å; C223-C231 HydrophobicContact CB-CB 3.84Å; C223-C231 WeakPolarHBondContact CB-SG 3.43Å; C223-C231 PolarHBondContact O-SG 3.09Å; C223-C231 WeakPolarHBondContact SG-CB 3.46Å; C223-C231 CovalentContact SG-SG 2.03Å; C223-C231 PolarHBondContact SG-SG 3.06Å; V224-C231 HydrophobicContact CG2-CB 3.99Å; V224-C231 PolarHBondContact N-SG 3.29Å; G228-C231 CarbonylContact O-C 2.97Å; G228-C231 PolarHBondContact O-N 3.06Å; G228-C231 PolarHBondContact O-SG 3.47Å; S229-C231 VanDerWaalsContact C-N 3.27Å; S229-C231 PolarHBondContact O-N 3.31Å; C231-Y327 PolarHBondContact O-OH 3.35Å
232S97.7Very high97.6Very high26 Ų2643.3 Ų43.318%0.18224%0.242CC..  trans-72.8139.2178.5137.10000110.4G228 Q234 L235G228-S232 PolarHBondContact O-N 2.83Å; S232-Q234 PolarHBondContact O-N 3.08Å; S232-Q234 VanDerWaalsContact O-N 3.11Å; S232-Q234 WeakPolarHBondContact OG-CB 3.4Å; S232-Q234 PolarHBondContact OG-N 3.34Å; S232-Q234 PolarHBondContact OG-OE1 3.02Å; S232-L235 WeakPolarHBondContact O-CB 3.26Å; S232-L235 PolarHBondContact O-N 3.42Å
233P97.4Very high97.7Very high30 Ų3038.9 Ų38.920%0.19522%0.221CC..G310 helixtrans-55.8-26.8175.6-28.436000114.5L235 L236 Y327 N330P233-L235 PolarHBondContact O-N 2.96Å; P233-L236 VanDerWaalsContact O-CB 3.31Å; P233-L236 WeakPolarHBondContact O-CB 3.33Å; P233-L236 PolarHBondContact O-N 3.3Å; P233-Y327 HydrophobicContact CB-CE1 4.28Å; P233-Y327 HydrophobicContact CG-CE1 4.19Å; P233-N330 WeakPolarHBondContact CB-ND2 3.47Å
234Q96.9Very high97.7Very high115 Ų11539.2 Ų39.254%0.53722%0.223SC..G310 helixtrans-59.7-26.1175.6-66.974.5600112.4S232 L236 W237 I332S232-Q234 PolarHBondContact O-N 3.08Å; S232-Q234 VanDerWaalsContact O-N 3.11Å; S232-Q234 WeakPolarHBondContact OG-CB 3.4Å; S232-Q234 PolarHBondContact OG-N 3.34Å; S232-Q234 PolarHBondContact OG-OE1 3.02Å; Q234-L236 PolarHBondContact O-N 3.27Å; Q234-W237 PolarHBondContact O-N 3.32Å; Q234-I332 HydrophobicContact CG-CD1 4.3Å
235L97.1Very high97.6Very high61 Ų6138.6 Ų38.632%0.31922%0.22SC..G310 helixtrans-75.2-7.5177.4-60.5176.1000113.9R187 L188 S229 D230 S232 P233R187-L235 PolarHBondContact NH2-O 3.14Å; L188-L235 HydrophobicContact CD1-CB 3.53Å; L188-L235 HydrophobicContact CD1-CD1 4.07Å; L188-L235 HydrophobicContact CD1-CG 4.48Å; L188-L235 HydrophobicContact CD2-CB 4.27Å; S229-L235 WeakPolarHBondContact O-CD1 3.16Å; D230-L235 VanDerWaalsContact O-CD1 3.27Å; D230-L235 WeakPolarHBondContact O-CD1 3.49Å; S232-L235 WeakPolarHBondContact O-CB 3.26Å; S232-L235 PolarHBondContact O-N 3.42Å; P233-L235 PolarHBondContact O-N 2.96Å
236L97.9Very high97.6Very high0 Ų032.7 Ų32.70%019%0.188CC..G310 helixtrans-70.7-33.2172.6-72.3174000112.3P184 R187 L188 P233 Q234 V238 Y327 I332 W333 E336P184-L236 HydrophobicContact CB-CD2 4.3Å; P184-L236 WeakPolarHBondContact O-CD2 3.5Å; R187-L236 PolarHBondContact NH2-O 2.7Å; L188-L236 HydrophobicContact CB-CD2 3.89Å; L188-L236 HydrophobicContact CD2-CD2 3.7Å; L188-L236 HydrophobicContact CD2-CG 3.87Å; L188-L236 HydrophobicContact CG-CD2 4.46Å; P233-L236 VanDerWaalsContact O-CB 3.31Å; P233-L236 WeakPolarHBondContact O-CB 3.33Å; P233-L236 PolarHBondContact O-N 3.3Å; Q234-L236 PolarHBondContact O-N 3.27Å; L236-V238 PolarHBondContact O-N 2.88Å; L236-Y327 HydrophobicContact CD1-CD1 3.43Å; L236-Y327 VanDerWaalsContact CD1-CD1 3.43Å; L236-Y327 HydrophobicContact CD1-CE1 3.76Å; L236-Y327 HydrophobicContact CG-CD1 4.24Å; L236-Y327 HydrophobicContact CG-CE1 4.1Å; L236-I332 HydrophobicContact CB-CG2 3.98Å; L236-W333 HydrophobicContact CD1-CB 3.56Å; L236-W333 HydrophobicContact CD1-CG 4.05Å; L236-E336 VanDerWaalsContact O-CD 3.23Å; L236-E336 WeakPolarHBondContact O-CG 3.22Å
237W97.8Very high97.5Very high20 Ų2029.3 Ų29.38%0.07617%0.171CC..THydrogen-bonded Turntrans-70.584.2-174.5-165-112.7000112.4Q234 V240 P241 C250 I252 P253 G254 N255 A258 I332 A335 E336Q234-W237 PolarHBondContact O-N 3.32Å; W237-V240 HydrophobicContact CE3-CB 4.26Å; W237-V240 HydrophobicContact CH2-CB 3.75Å; W237-V240 HydrophobicContact CH2-CG1 3.33Å; W237-V240 HydrophobicContact CH2-CG2 4.29Å; W237-V240 HydrophobicContact CZ2-CB 4.14Å; W237-V240 HydrophobicContact CZ2-CG1 3.67Å; W237-V240 HydrophobicContact CZ3-CB 3.79Å; W237-V240 HydrophobicContact CZ3-CG1 3.89Å; W237-V240 HydrophobicContact CZ3-CG2 4Å; W237-P241 HydrophobicContact CD2-CG 4.41Å; W237-P241 HydrophobicContact CG-CG 4.13Å; W237-C250 PolarHBondContact NE1-O 2.73Å; W237-I252 VanDerWaalsContact CE2-O 3.31Å; W237-I252 VanDerWaalsContact CZ2-O 3.28Å; W237-I252 WeakPolarHBondContact CZ2-O 3.42Å; W237-I252 PolarHBondContact NE1-O 3.49Å; W237-P253 HydrophobicContact CB-CB 4Å; W237-P253 HydrophobicContact CB-CG 4.38Å; W237-P253 HydrophobicContact CD2-CB 4.38Å; W237-P253 HydrophobicContact CG-CB 3.95Å; W237-P253 HydrophobicContact CG-CG 4.31Å; W237-G254 VanDerWaalsContact CE3-N 3.35Å; W237-N255 HydrophobicContact CZ2-CB 4.45Å; W237-A258 HydrophobicContact CH2-CB 4.19Å; W237-A258 HydrophobicContact CZ2-CB 3.77Å; W237-I332 HydrophobicContact CB-CG2 3.82Å; W237-I332 HydrophobicContact CE3-CG2 4.02Å; W237-A335 HydrophobicContact CH2-CB 4.46Å; W237-A335 HydrophobicContact CZ3-CB 3.77Å; W237-E336 WeakPolarHBondContact CA-OE1 3.31Å; W237-E336 HydrophobicContact CE3-CG 4.02Å; W237-E336 HydrophobicContact CZ3-CG 4.5Å
238V97.3Very high97.5Very high24 Ų2428.4 Ų28.415%0.14516%0.164CC..THydrogen-bonded Turntrans-141.5-43.3-174179.70000111.6I97 L236 P241 F242 E336I97-V238 HydrophobicContact CG2-CG1 3.99Å; L236-V238 PolarHBondContact O-N 2.88Å; V238-P241 WeakPolarHBondContact O-CG 3.37Å; V238-F242 HydrophobicContact CG1-CD2 4.25Å; V238-F242 HydrophobicContact CG1-CE2 4.04Å; V238-F242 WeakPolarHBondContact O-CD2 3.08Å; V238-F242 PolarHBondContact O-N 3.45Å; V238-E336 PolarHBondContact N-OE1 3.47Å
239Q98.6Very high97.5Very high0 Ų031.6 Ų31.60%017%0.171CC..Hα-helixtrans-78.2-51.7-173.8-46.1-173.8107.100109.6I97 R182 F242 F243 E336 F339I97-Q239 HydrophobicContact CD1-CB 4Å; I97-Q239 HydrophobicContact CD1-CG 4.28Å; I97-Q239 HydrophobicContact CG2-CG 4.19Å; R182-Q239 PolarHBondContact O-NE2 3.39Å; R182-Q239 PolarHBondContact O-OE1 3.4Å; Q239-F242 WeakPolarHBondContact O-CB 3.48Å; Q239-F242 PolarHBondContact O-N 3.15Å; Q239-F242 VanDerWaalsContact O-N 3.08Å; Q239-F243 VanDerWaalsContact O-CD2 3.25Å; Q239-F243 WeakPolarHBondContact O-CD2 3.39Å; Q239-F243 PolarHBondContact O-N 2.86Å; Q239-E336 WeakPolarHBondContact CB-OE2 3.48Å; Q239-E336 VanDerWaalsContact CG-OE2 3.32Å; Q239-E336 WeakPolarHBondContact CG-OE2 3.39Å; Q239-E336 PolarHBondContact N-OE1 3.01Å; Q239-E336 PolarHBondContact N-OE2 3.24Å; Q239-E336 PolarHBondContact NE2-OE2 3.35Å; Q239-F339 HydrophobicContact CB-CD1 4.18Å; Q239-F339 HydrophobicContact CB-CE1 4.22Å
240V98.8Very high97.5Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-50.4-52.3175.2175.20000112.6W237 F242 F243 C244 A258 L259 A262 E336 F339W237-V240 HydrophobicContact CE3-CB 4.26Å; W237-V240 HydrophobicContact CH2-CB 3.75Å; W237-V240 HydrophobicContact CH2-CG1 3.33Å; W237-V240 HydrophobicContact CH2-CG2 4.29Å; W237-V240 HydrophobicContact CZ2-CB 4.14Å; W237-V240 HydrophobicContact CZ2-CG1 3.67Å; W237-V240 HydrophobicContact CZ3-CB 3.79Å; W237-V240 HydrophobicContact CZ3-CG1 3.89Å; W237-V240 HydrophobicContact CZ3-CG2 4Å; V240-F242 VanDerWaalsContact C-N 3.3Å; V240-F242 PolarHBondContact O-N 2.76Å; V240-F243 PolarHBondContact O-N 3.39Å; V240-C244 VanDerWaalsContact O-CB 3.3Å; V240-C244 WeakPolarHBondContact O-CB 3.43Å; V240-C244 PolarHBondContact O-N 3.24Å; V240-A258 HydrophobicContact CG1-CB 4.18Å; V240-L259 HydrophobicContact CG1-CB 4.47Å; V240-L259 HydrophobicContact CG2-CD1 4.13Å; V240-A262 HydrophobicContact CG1-CB 4.01Å; V240-E336 HydrophobicContact CG2-CG 4.42Å; V240-E336 PolarHBondContact N-OE1 3.36Å; V240-F339 HydrophobicContact CG2-CB 3.58Å; V240-F339 HydrophobicContact CG2-CD1 4.08Å; V240-F339 HydrophobicContact CG2-CD2 4.45Å; V240-F339 HydrophobicContact CG2-CG 3.78Å
241P97.9Very high97.4Very high1 Ų130.5 Ų30.51%0.00615%0.151CC..Hα-helixtrans-62-33.1179.816.2-28.1000114.3Y133 W237 V238 F243 C244 G245 C250Y133-P241 WeakPolarHBondContact OH-CB 3.33Å; W237-P241 HydrophobicContact CD2-CG 4.41Å; W237-P241 HydrophobicContact CG-CG 4.13Å; V238-P241 WeakPolarHBondContact O-CG 3.37Å; P241-F243 VanDerWaalsContact C-N 3.32Å; P241-F243 PolarHBondContact O-N 2.99Å; P241-C244 PolarHBondContact O-N 3.41Å; P241-G245 PolarHBondContact O-N 3.48Å; P241-G245 VanDerWaalsContact O-N 3.09Å; P241-C250 WeakPolarHBondContact CB-O 3.42Å
242F98Very high97.4Very high3 Ų334.5 Ų34.51%0.01317%0.171CC..Hα-helixtrans-64-37.9178.1-94.8-116.8000112R96 I97 P98 H132 F161 A162 Y163 V238 Q239 V240R96-F242 VanDerWaalsContact O-CE1 3.27Å; R96-F242 WeakPolarHBondContact O-CE1 3.5Å; I97-F242 HydrophobicContact CD1-CB 4.14Å; I97-F242 HydrophobicContact CG1-CB 3.8Å; I97-F242 HydrophobicContact CG1-CD1 3.62Å; I97-F242 HydrophobicContact CG1-CE1 4.28Å; I97-F242 HydrophobicContact CG1-CG 3.74Å; P98-F242 HydrophobicContact CG-CZ 4.44Å; H132-F242 HydrophobicContact CB-CE2 3.75Å; H132-F242 HydrophobicContact CB-CZ 3.71Å; H132-F242 AromaticContact CD2-CE2 3.43Å; H132-F242 VanDerWaalsContact CD2-CE2 3.43Å; H132-F242 WeakPolarHBondContact CD2-CE2 3.41Å; H132-F242 AromaticContact CD2-CZ 3.58Å; H132-F242 AromaticContact CE1-CZ 3.98Å; H132-F242 AromaticContact CG-CE2 3.53Å; H132-F242 AromaticContact CG-CZ 3.33Å; H132-F242 AromaticContact ND1-CZ 3.62Å; H132-F242 AromaticContact NE2-CZ 3.96Å; F161-F242 VanDerWaalsContact O-CD1 3.27Å; F161-F242 WeakPolarHBondContact O-CD1 3.28Å; A162-F242 CarbonylContact C-O 3.6Å; A162-F242 WeakPolarHBondContact CA-O 3.3Å; Y163-F242 PolarHBondContact N-O 3.31Å; V238-F242 HydrophobicContact CG1-CD2 4.25Å; V238-F242 HydrophobicContact CG1-CE2 4.04Å; V238-F242 WeakPolarHBondContact O-CD2 3.08Å; V238-F242 PolarHBondContact O-N 3.45Å; Q239-F242 WeakPolarHBondContact O-CB 3.48Å; Q239-F242 PolarHBondContact O-N 3.15Å; Q239-F242 VanDerWaalsContact O-N 3.08Å; V240-F242 VanDerWaalsContact C-N 3.3Å; V240-F242 PolarHBondContact O-N 2.76Å
243F98.8Very high97.4Very high0 Ų036.1 Ų36.10%018%0.182CC..Hα-helixtrans-82.7-36.6176.1-70.8-86.7000112.8I97 N179 I181 Q239 V240 P241 G245 A262 V266 Y270 V273 F339I97-F243 HydrophobicContact CD1-CD2 4.17Å; I97-F243 HydrophobicContact CD1-CE2 3.45Å; I97-F243 VanDerWaalsContact CD1-CE2 3.45Å; I97-F243 HydrophobicContact CD1-CZ 4.22Å; N179-F243 HydrophobicContact CB-CE1 3.86Å; N179-F243 HydrophobicContact CB-CZ 3.66Å; I181-F243 HydrophobicContact CG2-CE2 3.53Å; I181-F243 HydrophobicContact CG2-CZ 3.82Å; Q239-F243 VanDerWaalsContact O-CD2 3.25Å; Q239-F243 WeakPolarHBondContact O-CD2 3.39Å; Q239-F243 PolarHBondContact O-N 2.86Å; V240-F243 PolarHBondContact O-N 3.39Å; P241-F243 VanDerWaalsContact C-N 3.32Å; P241-F243 PolarHBondContact O-N 2.99Å; F243-G245 VanDerWaalsContact C-N 3.28Å; F243-G245 PolarHBondContact O-N 3.39Å; F243-A262 HydrophobicContact CB-CB 3.73Å; F243-V266 HydrophobicContact CD1-CG2 3.7Å; F243-V266 HydrophobicContact CE1-CG2 3.95Å; F243-V266 HydrophobicContact CG-CG2 4.24Å; F243-Y270 HydrophobicContact CD1-CD1 4.44Å; F243-Y270 HydrophobicContact CD1-CD2 4.01Å; F243-Y270 AromaticContact CD1-CE1 3.97Å; F243-Y270 HydrophobicContact CD1-CE1 3.97Å; F243-Y270 AromaticContact CD1-CE2 3.47Å; F243-Y270 HydrophobicContact CD1-CE2 3.47Å; F243-Y270 VanDerWaalsContact CD1-CE2 3.47Å; F243-Y270 HydrophobicContact CD1-CG 4.46Å; F243-Y270 AromaticContact CD1-CZ 3.42Å; F243-Y270 VanDerWaalsContact CD1-CZ 3.42Å; F243-Y270 AromaticContact CE1-CD1 3.89Å; F243-Y270 HydrophobicContact CE1-CD1 3.89Å; F243-Y270 HydrophobicContact CE1-CD2 4.2Å; F243-Y270 AromaticContact CE1-CE1 3.58Å; F243-Y270 HydrophobicContact CE1-CE1 3.58Å; F243-Y270 AromaticContact CE1-CE2 3.91Å; F243-Y270 HydrophobicContact CE1-CE2 3.91Å; F243-Y270 HydrophobicContact CE1-CG 4.19Å; F243-Y270 AromaticContact CE1-CZ 3.57Å; F243-V273 HydrophobicContact CE1-CG1 4.18Å; F243-V273 HydrophobicContact CE1-CG2 3.7Å; F243-V273 HydrophobicContact CZ-CG1 3.69Å; F243-V273 HydrophobicContact CZ-CG2 4.1Å; F243-F339 HydrophobicContact CB-CE2 4.47Å; F243-F339 HydrophobicContact CB-CZ 3.98Å; F243-F339 HydrophobicContact CD1-CZ 4.23Å; F243-F339 AromaticContact CD2-CE1 3.39Å; F243-F339 HydrophobicContact CD2-CE1 3.39Å; F243-F339 HydrophobicContact CD2-CE2 4.39Å; F243-F339 AromaticContact CD2-CZ 3.22Å; F243-F339 HydrophobicContact CD2-CZ 3.22Å; F243-F339 AromaticContact CE2-CE1 3.58Å; F243-F339 HydrophobicContact CE2-CE1 3.58Å; F243-F339 AromaticContact CE2-CZ 3.65Å; F243-F339 HydrophobicContact CE2-CZ 3.65Å; F243-F339 HydrophobicContact CG-CE1 4.21Å; F243-F339 HydrophobicContact CG-CE2 4.45Å; F243-F339 AromaticContact CG-CZ 3.57Å; F243-F339 HydrophobicContact CG-CZ 3.57Å; F243-F339 HydrophobicContact CZ-CZ 4.32Å
244C98.6Very high97.4Very high8 Ų835.7 Ų35.75%0.05418%0.182CC..Hα-helixtrans-60.5-37.7178179.80000112.2V240 P241 Y249 C250 A258 A262V240-C244 VanDerWaalsContact O-CB 3.3Å; V240-C244 WeakPolarHBondContact O-CB 3.43Å; V240-C244 PolarHBondContact O-N 3.24Å; P241-C244 PolarHBondContact O-N 3.41Å; C244-Y249 WeakPolarHBondContact SG-CE2 2.99Å; C244-C250 HydrophobicContact CB-CB 3.6Å; C244-C250 WeakPolarHBondContact CB-SG 3.49Å; C244-C250 PolarHBondContact O-SG 2.95Å; C244-C250 VanDerWaalsContact O-SG 3.38Å; C244-C250 WeakPolarHBondContact SG-CA 3.33Å; C244-C250 WeakPolarHBondContact SG-CB 3.31Å; C244-C250 CovalentContact SG-SG 2.04Å; C244-C250 PolarHBondContact SG-SG 2.93Å; C244-A258 HydrophobicContact CB-CB 4.36Å; C244-A258 VanDerWaalsContact SG-CA 3.57Å; C244-A262 HydrophobicContact CB-CB 4.37Å
245G97.2Very high97.5Very high1 Ų131.3 Ų31.31%0.0116%0.163CC..  trans104.9-150.6171.800000114.4Y163 P241 F243Y163-G245 WeakPolarHBondContact O-CA 3.26Å; P241-G245 PolarHBondContact O-N 3.48Å; P241-G245 VanDerWaalsContact O-N 3.09Å; F243-G245 VanDerWaalsContact C-N 3.28Å; F243-G245 PolarHBondContact O-N 3.39Å
246Q96Very high97.5Very high14 Ų1432.8 Ų32.87%0.06518%0.176CC..SBendtrans-85.3-10.3-163.8-59.1-62.4-18.800115.5L134 E139 A162 Y163 I164 R251L134-Q246 PolarHBondContact O-OE1 3.46Å; E139-Q246 HydrophobicContact CG-CG 4.19Å; A162-Q246 PolarHBondContact O-NE2 3.39Å; Y163-Q246 WeakPolarHBondContact O-CG 3.21Å; I164-Q246 HydrophobicContact CG1-CG 4.48Å; Q246-R251 PolarHBondContact O-NH2 3.33Å
247A95.9Very high97.6Very high28 Ų2836.8 Ų36.823%0.23120%0.2CC..SBendtrans-67.8151.6-174.400000112.5Y249 C250A247-Y249 VanDerWaalsContact C-N 3.31Å; A247-Y249 HydrophobicContact CB-CD1 3.58Å; A247-Y249 HydrophobicContact CB-CE1 3.37Å; A247-Y249 PolarHBondContact O-N 3.06Å; A247-C250 VanDerWaalsContact O-CB 3.29Å; A247-C250 WeakPolarHBondContact O-CB 3.42Å; A247-C250 PolarHBondContact O-N 3.37Å
248M95.5Very high97.6Very high133 Ų13335.9 Ų35.966%0.65520%0.197SC*.G310 helixtrans-61.6-38.6-177.3-175.760.4-18000112.4C250 R251M248-C250 PolarHBondContact O-N 3.47Å; M248-R251 WeakPolarHBondContact O-CB 3.25Å; M248-R251 PolarHBondContact O-N 3.47Å
249Y97.7Very high97.7Very high82 Ų8235 Ų3532%0.32219%0.191SC..G310 helixtrans-64.5-26.6-179.677.1-95.1000112.6C244 A247 R251 I252 N255 V257 A258 T261C244-Y249 WeakPolarHBondContact SG-CE2 2.99Å; A247-Y249 VanDerWaalsContact C-N 3.31Å; A247-Y249 HydrophobicContact CB-CD1 3.58Å; A247-Y249 HydrophobicContact CB-CE1 3.37Å; A247-Y249 PolarHBondContact O-N 3.06Å; Y249-R251 PolarHBondContact O-N 2.88Å; Y249-I252 PolarHBondContact O-N 2.9Å; Y249-N255 PolarHBondContact O-ND2 3.16Å; Y249-V257 HydrophobicContact CD2-CB 4.29Å; Y249-V257 HydrophobicContact CD2-CG1 4.08Å; Y249-V257 HydrophobicContact CE2-CB 4.44Å; Y249-V257 HydrophobicContact CE2-CG1 3.88Å; Y249-A258 HydrophobicContact CD2-CB 4.15Å; Y249-A258 HydrophobicContact CE2-CB 4.32Å; Y249-T261 WeakPolarHBondContact OH-CG2 3.46Å; Y249-T261 PolarHBondContact OH-OG1 3.09Å; Y249-T261 VanDerWaalsContact OH-OG1 3.12Å
250C97.8Very high97.7Very high0 Ų040 Ų400%021%0.214CC..G310 helixtrans-61.5-26.1173.3-61.10000112.3W237 P241 C244 A247 M248W237-C250 PolarHBondContact NE1-O 2.73Å; P241-C250 WeakPolarHBondContact CB-O 3.42Å; C244-C250 HydrophobicContact CB-CB 3.6Å; C244-C250 WeakPolarHBondContact CB-SG 3.49Å; C244-C250 PolarHBondContact O-SG 2.95Å; C244-C250 VanDerWaalsContact O-SG 3.38Å; C244-C250 WeakPolarHBondContact SG-CA 3.33Å; C244-C250 WeakPolarHBondContact SG-CB 3.31Å; C244-C250 CovalentContact SG-SG 2.04Å; C244-C250 PolarHBondContact SG-SG 2.93Å; A247-C250 VanDerWaalsContact O-CB 3.29Å; A247-C250 WeakPolarHBondContact O-CB 3.42Å; A247-C250 PolarHBondContact O-N 3.37Å; M248-C250 PolarHBondContact O-N 3.47Å
251R95.4Very high97.7Very high92 Ų9240.7 Ų40.735%0.34722%0.219SC..G310 helixtrans-85.6-11.9-175-46.3-170.8-175.7165.23.5113.3Y133 Q246 M248 Y249 P253Y133-R251 HydrophobicContact CD1-CG 4.31Å; Y133-R251 HydrophobicContact CD2-CG 4.49Å; Y133-R251 HydrophobicContact CE1-CG 3.78Å; Y133-R251 HydrophobicContact CE2-CG 4Å; Q246-R251 PolarHBondContact O-NH2 3.33Å; M248-R251 WeakPolarHBondContact O-CB 3.25Å; M248-R251 PolarHBondContact O-N 3.47Å; Y249-R251 PolarHBondContact O-N 2.88Å; R251-P253 VanDerWaalsContact O-CD 3.28Å; R251-P253 WeakPolarHBondContact O-CD 3.41Å
252I97.3Very high97.8Very high86 Ų8640.6 Ų40.644%0.44122%0.218SC..SBendtrans-78.5114.5-178.8-59.1174.1000107.8W237 Y249 G254 N255W237-I252 VanDerWaalsContact CE2-O 3.31Å; W237-I252 VanDerWaalsContact CZ2-O 3.28Å; W237-I252 WeakPolarHBondContact CZ2-O 3.42Å; W237-I252 PolarHBondContact NE1-O 3.49Å; Y249-I252 PolarHBondContact O-N 2.9Å; I252-G254 PolarHBondContact O-N 3.14Å; I252-N255 HydrophobicContact CB-CB 3.99Å; I252-N255 HydrophobicContact CG2-CB 4.18Å; I252-N255 WeakPolarHBondContact O-CB 3.42Å; I252-N255 PolarHBondContact O-N 3.38Å
253P97.9Very high97.8Very high61 Ų6141.7 Ų41.740%0.39622%0.223SC..THydrogen-bonded Turntrans-60.4133-177-24.736000113W237 R251 N255 I332W237-P253 HydrophobicContact CB-CB 4Å; W237-P253 HydrophobicContact CB-CG 4.38Å; W237-P253 HydrophobicContact CD2-CB 4.38Å; W237-P253 HydrophobicContact CG-CB 3.95Å; W237-P253 HydrophobicContact CG-CG 4.31Å; R251-P253 VanDerWaalsContact O-CD 3.28Å; R251-P253 WeakPolarHBondContact O-CD 3.41Å; P253-N255 PolarHBondContact O-N 3.28Å; P253-I332 HydrophobicContact CB-CD1 3.52Å; P253-I332 HydrophobicContact CB-CG1 3.79Å; P253-I332 HydrophobicContact CB-CG2 4.33Å
254G97.6Very high97.8Very high20 Ų2046.1 Ų46.121%0.20624%0.24CC..THydrogen-bonded Turntrans73.112179.800000114.4W237 I252 P256W237-G254 VanDerWaalsContact CE3-N 3.35Å; I252-G254 PolarHBondContact O-N 3.14Å; G254-P256 WeakPolarHBondContact O-CD 3.02Å
255N98.3Very high97.8Very high24 Ų2447.5 Ų47.513%0.12824%0.244CC..  trans-66.3118.2-179.7-178.3-11.8000111.2W237 Y249 I252 P253 V257 A258 L259W237-N255 HydrophobicContact CZ2-CB 4.45Å; Y249-N255 PolarHBondContact O-ND2 3.16Å; I252-N255 HydrophobicContact CB-CB 3.99Å; I252-N255 HydrophobicContact CG2-CB 4.18Å; I252-N255 WeakPolarHBondContact O-CB 3.42Å; I252-N255 PolarHBondContact O-N 3.38Å; P253-N255 PolarHBondContact O-N 3.28Å; N255-V257 VanDerWaalsContact C-N 3.29Å; N255-V257 PolarHBondContact O-N 3.15Å; N255-V257 WeakPolarHBondContact OD1-CB 3.39Å; N255-V257 PolarHBondContact OD1-N 3.42Å; N255-A258 HydrophobicContact CB-CB 3.92Å; N255-A258 WeakPolarHBondContact O-CB 3.48Å; N255-A258 PolarHBondContact O-N 3.43Å; N255-A258 VanDerWaalsContact O-N 3.11Å; N255-L259 PolarHBondContact O-N 2.9Å; N255-L259 VanDerWaalsContact O-N 3.13Å
256P98.4Very high97.9Very high91 Ų9148 Ų4859%0.59125%0.247SC*.Hα-helixtrans-64.2-32.5-178.725.2-34.2000112.8G254 A258 L259 E260G254-P256 WeakPolarHBondContact O-CD 3.02Å; P256-A258 VanDerWaalsContact C-N 3.29Å; P256-A258 PolarHBondContact O-N 3.38Å; P256-L259 WeakPolarHBondContact O-CB 3.3Å; P256-L259 PolarHBondContact O-N 3.4Å; P256-E260 PolarHBondContact O-N 3.31Å
257V98.7Very high98Very high85 Ų8552.3 Ų52.352%0.51527%0.269SS..Hα-helixtrans-67.6-34.3176.9-1760000111.1Y249 N255 T261Y249-V257 HydrophobicContact CD2-CB 4.29Å; Y249-V257 HydrophobicContact CD2-CG1 4.08Å; Y249-V257 HydrophobicContact CE2-CB 4.44Å; Y249-V257 HydrophobicContact CE2-CG1 3.88Å; N255-V257 VanDerWaalsContact C-N 3.29Å; N255-V257 PolarHBondContact O-N 3.15Å; N255-V257 WeakPolarHBondContact OD1-CB 3.39Å; N255-V257 PolarHBondContact OD1-N 3.42Å; V257-T261 WeakPolarHBondContact O-CB 3.47Å; V257-T261 PolarHBondContact O-N 3.06Å; V257-T261 PolarHBondContact O-OG1 3.5Å
258A98.8Very high98.1Very high0 Ų056.6 Ų56.60%028%0.284CS..Hα-helixtrans-68.6-39.2175.300000111.8W237 V240 C244 Y249 N255 P256 A262W237-A258 HydrophobicContact CH2-CB 4.19Å; W237-A258 HydrophobicContact CZ2-CB 3.77Å; V240-A258 HydrophobicContact CG1-CB 4.18Å; C244-A258 HydrophobicContact CB-CB 4.36Å; C244-A258 VanDerWaalsContact SG-CA 3.57Å; Y249-A258 HydrophobicContact CD2-CB 4.15Å; Y249-A258 HydrophobicContact CE2-CB 4.32Å; N255-A258 HydrophobicContact CB-CB 3.92Å; N255-A258 WeakPolarHBondContact O-CB 3.48Å; N255-A258 PolarHBondContact O-N 3.43Å; N255-A258 VanDerWaalsContact O-N 3.11Å; P256-A258 VanDerWaalsContact C-N 3.29Å; P256-A258 PolarHBondContact O-N 3.38Å; A258-A262 WeakPolarHBondContact O-CB 3.36Å; A258-A262 PolarHBondContact O-N 2.86Å
259L98.9Very high98.2Very high7 Ų752.4 Ų52.44%0.03727%0.265CS..Hα-helixtrans-60.1-53.2174.1173.759.1000111.7V240 N255 P256 T261 A262 K263 A335 E338 F339V240-L259 HydrophobicContact CG1-CB 4.47Å; V240-L259 HydrophobicContact CG2-CD1 4.13Å; N255-L259 PolarHBondContact O-N 2.9Å; N255-L259 VanDerWaalsContact O-N 3.13Å; P256-L259 WeakPolarHBondContact O-CB 3.3Å; P256-L259 PolarHBondContact O-N 3.4Å; L259-T261 VanDerWaalsContact C-N 3.3Å; L259-T261 PolarHBondContact O-N 3.47Å; L259-A262 WeakPolarHBondContact O-CB 3.18Å; L259-A262 PolarHBondContact O-N 3.31Å; L259-A262 VanDerWaalsContact O-N 3.13Å; L259-K263 HydrophobicContact CD1-CG 4.37Å; L259-K263 WeakPolarHBondContact O-CG 3.28Å; L259-K263 PolarHBondContact O-N 3.22Å; L259-A335 WeakPolarHBondContact CD1-O 3.03Å; L259-A335 HydrophobicContact CD2-CB 4.2Å; L259-E338 HydrophobicContact CD2-CB 4.36Å; L259-E338 HydrophobicContact CD2-CG 4.33Å; L259-F339 HydrophobicContact CD1-CB 3.59Å; L259-F339 HydrophobicContact CD1-CD2 4.25Å; L259-F339 HydrophobicContact CD1-CG 4.35Å
260E98.8Very high98.2Very high103 Ų10349.1 Ų49.148%0.48125%0.252SS..Hα-helixtrans-63.3-38180-67.8-50.1116.700112.2P256 K263 R264P256-E260 PolarHBondContact O-N 3.31Å; E260-K263 PolarHBondContact O-N 2.91Å; E260-K263 IonicContact OE1-NZ 3.59Å; E260-K263 PolarHBondContact OE1-NZ 2.94Å; E260-R264 WeakPolarHBondContact O-CB 3.33Å; E260-R264 PolarHBondContact O-N 3.33Å
261T98.8Very high98.2Very high15 Ų1552.5 Ų52.59%0.09227%0.269CS..Hα-helixtrans-61.9-46.1173.2-59.90000111.2Y249 V257 L259 K263 R264 R265Y249-T261 WeakPolarHBondContact OH-CG2 3.46Å; Y249-T261 PolarHBondContact OH-OG1 3.09Å; Y249-T261 VanDerWaalsContact OH-OG1 3.12Å; V257-T261 WeakPolarHBondContact O-CB 3.47Å; V257-T261 PolarHBondContact O-N 3.06Å; V257-T261 PolarHBondContact O-OG1 3.5Å; L259-T261 VanDerWaalsContact C-N 3.3Å; L259-T261 PolarHBondContact O-N 3.47Å; T261-K263 PolarHBondContact O-N 3.3Å; T261-R264 PolarHBondContact O-N 3.08Å; T261-R265 HydrophobicContact CG2-CG 4.31Å; T261-R265 VanDerWaalsContact O-CG 3.28Å; T261-R265 WeakPolarHBondContact O-CG 3.02Å; T261-R265 PolarHBondContact O-N 3.49Å
262A98.9Very high98.3Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-60-45.3178.600000112V240 F243 C244 A258 L259 R265 V266 F339V240-A262 HydrophobicContact CG1-CB 4.01Å; F243-A262 HydrophobicContact CB-CB 3.73Å; C244-A262 HydrophobicContact CB-CB 4.37Å; A258-A262 WeakPolarHBondContact O-CB 3.36Å; A258-A262 PolarHBondContact O-N 2.86Å; L259-A262 WeakPolarHBondContact O-CB 3.18Å; L259-A262 PolarHBondContact O-N 3.31Å; L259-A262 VanDerWaalsContact O-N 3.13Å; A262-R265 PolarHBondContact O-N 3.13Å; A262-V266 WeakPolarHBondContact O-CG2 3.42Å; A262-V266 PolarHBondContact O-N 3.38Å; A262-F339 HydrophobicContact CB-CD2 3.98Å; A262-F339 HydrophobicContact CB-CE2 3.68Å; A262-F339 HydrophobicContact CB-CZ 4.33Å
263K98.9Very high98.4Very high25 Ų2544.6 Ų44.611%0.10924%0.235CC..Hα-helixtrans-58.6-49.1175.4-67.8178.1-175.4163.20111.6L259 E260 T261 R265 V266 I267 E338 F339 F342L259-K263 HydrophobicContact CD1-CG 4.37Å; L259-K263 WeakPolarHBondContact O-CG 3.28Å; L259-K263 PolarHBondContact O-N 3.22Å; E260-K263 PolarHBondContact O-N 2.91Å; E260-K263 IonicContact OE1-NZ 3.59Å; E260-K263 PolarHBondContact OE1-NZ 2.94Å; T261-K263 PolarHBondContact O-N 3.3Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.36Å; K263-V266 WeakPolarHBondContact O-CB 3.47Å; K263-V266 PolarHBondContact O-N 2.8Å; K263-V266 VanDerWaalsContact O-N 3.15Å; K263-I267 PolarHBondContact O-N 2.98Å; K263-E338 IonicContact NZ-OE1 2.72Å; K263-E338 PolarHBondContact NZ-OE1 3.18Å; K263-F339 HydrophobicContact CG-CD2 4.16Å; K263-F342 HydrophobicContact CB-CD1 3.98Å; K263-F342 HydrophobicContact CB-CE1 3.8Å; K263-F342 HydrophobicContact CB-CE2 4.44Å; K263-F342 HydrophobicContact CB-CG 4.4Å; K263-F342 HydrophobicContact CB-CZ 4.06Å; K263-F342 HydrophobicContact CD-CD1 4.43Å; K263-F342 HydrophobicContact CD-CD2 4.14Å; K263-F342 HydrophobicContact CD-CG 4.08Å; K263-F342 HydrophobicContact CG-CB 4.41Å; K263-F342 HydrophobicContact CG-CD1 3.7Å; K263-F342 HydrophobicContact CG-CD2 4.28Å; K263-F342 HydrophobicContact CG-CE1 4.06Å; K263-F342 HydrophobicContact CG-CG 3.84Å
264R98.8Very high98.4Very high94 Ų9441.7 Ų41.736%0.35522%0.216SC..Hα-helixtrans-58.1-44177.7-176.6178.158.4782.7111.9E260 T261 V266 I267 E268E260-R264 WeakPolarHBondContact O-CB 3.33Å; E260-R264 PolarHBondContact O-N 3.33Å; T261-R264 PolarHBondContact O-N 3.08Å; R264-V266 VanDerWaalsContact C-N 3.33Å; R264-V266 PolarHBondContact O-N 3.12Å; R264-I267 PolarHBondContact O-N 3.24Å; R264-I267 VanDerWaalsContact O-N 3.16Å; R264-E268 WeakPolarHBondContact CD-OE1 3.48Å; R264-E268 HydrophobicContact CG-CG 4.07Å; R264-E268 WeakPolarHBondContact CG-OE1 3.08Å; R264-E268 WeakPolarHBondContact CG-OE2 3.41Å; R264-E268 IonicContact CZ-OE2 2.73Å; R264-E268 IonicContact NH1-OE2 2.65Å; R264-E268 PolarHBondContact NH1-OE2 3.35Å; R264-E268 WeakPolarHBondContact O-CB 3.34Å; R264-E268 WeakPolarHBondContact O-CG 3.15Å; R264-E268 PolarHBondContact O-N 3.18Å
265R98.6Very high98.4Very high36 Ų3640.8 Ų40.814%0.13621%0.207CC..Hα-helixtrans-61.2-39.1176.9-67.8-57.3-176.7-174.52.2112.4Y163 T261 A262 K263 I267 E268 D269 Y270Y163-R265 PolarHBondContact OH-NH1 2.04Å; T261-R265 HydrophobicContact CG2-CG 4.31Å; T261-R265 VanDerWaalsContact O-CG 3.28Å; T261-R265 WeakPolarHBondContact O-CG 3.02Å; T261-R265 PolarHBondContact O-N 3.49Å; A262-R265 PolarHBondContact O-N 3.13Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.36Å; R265-I267 VanDerWaalsContact C-N 3.26Å; R265-I267 PolarHBondContact O-N 3.26Å; R265-E268 PolarHBondContact O-N 2.67Å; R265-D269 WeakPolarHBondContact CD-OD2 3.42Å; R265-D269 IonicContact CZ-OD2 3.28Å; R265-D269 IonicContact NE-OD2 3.44Å; R265-D269 VanDerWaalsContact NH1-CG 3.34Å; R265-D269 IonicContact NH1-OD1 2.88Å; R265-D269 PolarHBondContact NH1-OD1 3.38Å; R265-D269 IonicContact NH1-OD2 2.87Å; R265-D269 PolarHBondContact NH1-OD2 3.11Å; R265-D269 WeakPolarHBondContact O-CA 3.35Å; R265-D269 WeakPolarHBondContact O-CB 3.29Å; R265-D269 PolarHBondContact O-N 2.85Å; R265-Y270 HydrophobicContact CB-CE2 4.49Å; R265-Y270 WeakPolarHBondContact O-CD2 3.44Å; R265-Y270 PolarHBondContact O-N 3.15Å
266V98.7Very high98.3Very high12 Ų1240.6 Ų40.67%0.07321%0.206CC..Hα-helixtrans-58.2-41.2175.3168.80000111.4F243 A262 K263 R264 V273 F339 F342 V343F243-V266 HydrophobicContact CD1-CG2 3.7Å; F243-V266 HydrophobicContact CE1-CG2 3.95Å; F243-V266 HydrophobicContact CG-CG2 4.24Å; A262-V266 WeakPolarHBondContact O-CG2 3.42Å; A262-V266 PolarHBondContact O-N 3.38Å; K263-V266 WeakPolarHBondContact O-CB 3.47Å; K263-V266 PolarHBondContact O-N 2.8Å; K263-V266 VanDerWaalsContact O-N 3.15Å; R264-V266 VanDerWaalsContact C-N 3.33Å; R264-V266 PolarHBondContact O-N 3.12Å; V266-V273 HydrophobicContact CG1-CG2 4.16Å; V266-V273 HydrophobicContact CG2-CG2 4.34Å; V266-F339 HydrophobicContact CG2-CE2 3.8Å; V266-F339 HydrophobicContact CG2-CZ 3.73Å; V266-F342 HydrophobicContact CB-CE1 4.15Å; V266-F342 HydrophobicContact CG1-CE1 4.11Å; V266-V343 HydrophobicContact CG1-CG2 4.22Å; V266-V343 HydrophobicContact CG2-CG2 3.96Å
267I98.2Very high98.1Very high105 Ų10540.3 Ų40.354%0.53820%0.197SC..Hα-helixtrans-73.5-46.6179.2-57.2171.4000111.4K263 R264 R265 F342K263-I267 PolarHBondContact O-N 2.98Å; R264-I267 PolarHBondContact O-N 3.24Å; R264-I267 VanDerWaalsContact O-N 3.16Å; R265-I267 VanDerWaalsContact C-N 3.26Å; R265-I267 PolarHBondContact O-N 3.26Å; I267-F342 HydrophobicContact CD1-CE2 4.42Å; I267-F342 HydrophobicContact CD1-CZ 3.76Å; I267-F342 HydrophobicContact CG1-CE1 4.41Å; I267-F342 HydrophobicContact CG1-CZ 3.75Å
268E97.4Very high97.9Very high118 Ų11837.9 Ų37.955%0.55118%0.18SC*.Hα-helixtrans-88.7-31.3-166.2-69177.5-179.800113.8R264 R265R264-E268 WeakPolarHBondContact CD-OE1 3.48Å; R264-E268 HydrophobicContact CG-CG 4.07Å; R264-E268 WeakPolarHBondContact CG-OE1 3.08Å; R264-E268 WeakPolarHBondContact CG-OE2 3.41Å; R264-E268 IonicContact CZ-OE2 2.73Å; R264-E268 IonicContact NH1-OE2 2.65Å; R264-E268 PolarHBondContact NH1-OE2 3.35Å; R264-E268 WeakPolarHBondContact O-CB 3.34Å; R264-E268 WeakPolarHBondContact O-CG 3.15Å; R264-E268 PolarHBondContact O-N 3.18Å; R265-E268 PolarHBondContact O-N 2.67Å
269D97.8Very high97.7Very high45 Ų4538.2 Ų38.224%0.24118%0.182CC..THydrogen-bonded Turntrans-119.6-22.4-165.9-61.1-90.3000114.4Y163 Y177 R265Y163-D269 HydrophobicContact CE2-CB 3.72Å; Y163-D269 VanDerWaalsContact OH-CG 3.28Å; Y163-D269 PolarHBondContact OH-OD1 2.99Å; Y177-D269 WeakPolarHBondContact CB-O 3.41Å; R265-D269 WeakPolarHBondContact CD-OD2 3.42Å; R265-D269 IonicContact CZ-OD2 3.28Å; R265-D269 IonicContact NE-OD2 3.44Å; R265-D269 VanDerWaalsContact NH1-CG 3.34Å; R265-D269 IonicContact NH1-OD1 2.88Å; R265-D269 PolarHBondContact NH1-OD1 3.38Å; R265-D269 IonicContact NH1-OD2 2.87Å; R265-D269 PolarHBondContact NH1-OD2 3.11Å; R265-D269 WeakPolarHBondContact O-CA 3.35Å; R265-D269 WeakPolarHBondContact O-CB 3.29Å; R265-D269 PolarHBondContact O-N 2.85Å
270Y98.6Very high97.3Very high13 Ų1340.9 Ų40.95%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-99.3129179.6-73-104.3000110.2N95 Y163 Y177 N179 F243 R265 I272 V273N95-Y270 PolarHBondContact ND2-OH 2.92Å; N95-Y270 WeakPolarHBondContact OD1-CE1 3.43Å; N95-Y270 PolarHBondContact OD1-OH 2.9Å; N95-Y270 VanDerWaalsContact OD1-OH 3.13Å; Y163-Y270 AromaticContact CD2-CE2 3.96Å; Y163-Y270 HydrophobicContact CD2-CE2 3.96Å; Y177-Y270 AromaticContact CD1-CE1 3.97Å; Y177-Y270 HydrophobicContact CD1-CE1 3.97Å; Y177-Y270 HydrophobicContact CG-CE1 4.3Å; Y177-Y270 WeakPolarHBondContact O-CA 3.49Å; N179-Y270 HydrophobicContact CB-CD1 3.97Å; N179-Y270 HydrophobicContact CB-CE1 3.73Å; F243-Y270 HydrophobicContact CD1-CD1 4.44Å; F243-Y270 HydrophobicContact CD1-CD2 4.01Å; F243-Y270 AromaticContact CD1-CE1 3.97Å; F243-Y270 HydrophobicContact CD1-CE1 3.97Å; F243-Y270 AromaticContact CD1-CE2 3.47Å; F243-Y270 HydrophobicContact CD1-CE2 3.47Å; F243-Y270 VanDerWaalsContact CD1-CE2 3.47Å; F243-Y270 HydrophobicContact CD1-CG 4.46Å; F243-Y270 AromaticContact CD1-CZ 3.42Å; F243-Y270 VanDerWaalsContact CD1-CZ 3.42Å; F243-Y270 AromaticContact CE1-CD1 3.89Å; F243-Y270 HydrophobicContact CE1-CD1 3.89Å; F243-Y270 HydrophobicContact CE1-CD2 4.2Å; F243-Y270 AromaticContact CE1-CE1 3.58Å; F243-Y270 HydrophobicContact CE1-CE1 3.58Å; F243-Y270 AromaticContact CE1-CE2 3.91Å; F243-Y270 HydrophobicContact CE1-CE2 3.91Å; F243-Y270 HydrophobicContact CE1-CG 4.19Å; F243-Y270 AromaticContact CE1-CZ 3.57Å; R265-Y270 HydrophobicContact CB-CE2 4.49Å; R265-Y270 WeakPolarHBondContact O-CD2 3.44Å; R265-Y270 PolarHBondContact O-N 3.15Å; Y270-I272 VanDerWaalsContact C-N 3.33Å; Y270-V273 HydrophobicContact CD1-CG2 3.92Å; Y270-V273 HydrophobicContact CG-CG2 3.96Å
271L98Very high97Very high70 Ų7039.7 Ų39.737%0.36619%0.189SC..EExtended strand (participates in β ladder)trans-64-42.5173.5175.263.3000111.2I176 Y177 L289 L290I176-L271 HydrophobicContact CG2-CB 3.67Å; I176-L271 HydrophobicContact CG2-CD2 3.51Å; I176-L271 HydrophobicContact CG2-CG 4.23Å; Y177-L271 PolarHBondContact O-N 2.88Å; L271-L289 HydrophobicContact CD2-CB 4.17Å; L271-L290 HydrophobicContact CD2-CD1 3.96Å; L271-L290 HydrophobicContact CD2-CD2 3.73Å; L271-L290 HydrophobicContact CD2-CG 3.66Å
272I98Very high96.9Very high4 Ų439 Ų392%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-158.8142.4175.9-173.3166.8000111.2I178 N179 Y270 F282 L285 L286 L289 F347I178-I272 WeakPolarHBondContact CA-O 3.05Å; I178-I272 HydrophobicContact CG2-CG2 4.06Å; N179-I272 PolarHBondContact N-O 2.7Å; N179-I272 VanDerWaalsContact N-O 3.13Å; Y270-I272 VanDerWaalsContact C-N 3.33Å; I272-F282 HydrophobicContact CB-CE2 4.49Å; I272-F282 HydrophobicContact CD1-CD2 4.14Å; I272-F282 HydrophobicContact CD1-CE2 4.28Å; I272-F282 HydrophobicContact CG1-CD2 4.26Å; I272-F282 HydrophobicContact CG1-CE2 4.01Å; I272-F282 HydrophobicContact CG2-CE2 3.88Å; I272-L285 HydrophobicContact CD1-CB 3.52Å; I272-L285 HydrophobicContact CD1-CD1 3.53Å; I272-L285 HydrophobicContact CD1-CG 4.13Å; I272-L286 HydrophobicContact CG2-CD2 3.82Å; I272-L289 HydrophobicContact CB-CD1 3.98Å; I272-L289 HydrophobicContact CD1-CD1 3.79Å; I272-L289 HydrophobicContact CG1-CD1 4.46Å; I272-L289 HydrophobicContact CG2-CD1 4.08Å; I272-F347 HydrophobicContact CD1-CD2 4.38Å; I272-F347 HydrophobicContact CD1-CE2 4.36Å
273V98.8Very high96.7Very high9 Ų939 Ų396%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-121.9117.5170.8-175.20000109.6N179 I181 F243 V266 Y270 V343 F347N179-V273 HydrophobicContact CB-CG1 4.24Å; N179-V273 HydrophobicContact CB-CG2 4.33Å; N179-V273 CarbonylContact O-C 3.53Å; N179-V273 WeakPolarHBondContact O-CA 3.37Å; I181-V273 HydrophobicContact CG1-CG1 4.46Å; I181-V273 HydrophobicContact CG2-CG1 3.95Å; F243-V273 HydrophobicContact CE1-CG1 4.18Å; F243-V273 HydrophobicContact CE1-CG2 3.7Å; F243-V273 HydrophobicContact CZ-CG1 3.69Å; F243-V273 HydrophobicContact CZ-CG2 4.1Å; V266-V273 HydrophobicContact CG1-CG2 4.16Å; V266-V273 HydrophobicContact CG2-CG2 4.34Å; Y270-V273 HydrophobicContact CD1-CG2 3.92Å; Y270-V273 HydrophobicContact CG-CG2 3.96Å; V273-V343 HydrophobicContact CB-CG1 3.8Å; V273-V343 HydrophobicContact CG1-CG1 3.52Å; V273-F347 WeakPolarHBondContact O-CD2 2.99Å
274G98.1Very high96.3Very high0 Ų039.3 Ų39.30%019%0.188CC..EExtended strand (participates in β ladder)trans-90168.7-178.300000114.7N179 M180 I181N179-G274 PolarHBondContact O-N 2.71Å; M180-G274 CarbonylContact C-O 3.39Å; M180-G274 WeakPolarHBondContact CA-O 3.34Å; I181-G274 PolarHBondContact N-O 3.25Å
275L98Very high96.1Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-106.2136.7172.2-52.7176.4000110I181 E277 E278 F279 Y340 R344 F347I181-L275 HydrophobicContact CD1-CD2 3.94Å; I181-L275 HydrophobicContact CG1-CD2 3.69Å; L275-E277 PolarHBondContact O-N 2.83Å; L275-E278 HydrophobicContact CB-CB 4.29Å; L275-E278 CarbonylContact O-C 3.57Å; L275-E278 PolarHBondContact O-N 2.96Å; L275-E278 VanDerWaalsContact O-N 3.11Å; L275-F279 PolarHBondContact O-N 2.85Å; L275-Y340 HydrophobicContact CD2-CE2 3.93Å; L275-R344 HydrophobicContact CD1-CB 4Å; L275-R344 HydrophobicContact CD1-CG 3.78Å; L275-R344 HydrophobicContact CD2-CB 4.2Å; L275-F347 HydrophobicContact CD1-CD1 3.86Å; L275-F347 HydrophobicContact CD1-CE1 4.41Å; L275-F347 HydrophobicContact CG-CD1 3.94Å; L275-F347 HydrophobicContact CG-CE1 4.44Å; L275-F347 HydrophobicContact CG-CG 4.33Å
276T96Very high96Very high20 Ų2033.3 Ų33.312%0.12317%0.165CC..G310 helixtrans-60.1-36.4177.4-59.80000111.6T100 I181 R182 E278T100-T276 VanDerWaalsContact CA-OG1 3.22Å; T100-T276 WeakPolarHBondContact CA-OG1 3.38Å; T100-T276 PolarHBondContact O-OG1 2.99Å; I181-T276 WeakPolarHBondContact O-CB 3.19Å; I181-T276 PolarHBondContact O-N 3.49Å; I181-T276 PolarHBondContact O-OG1 3.2Å; R182-T276 HydrophobicContact CG-CG2 4.46Å; T276-E278 PolarHBondContact O-N 3.2Å
277E94.1Very high95.7Very high86 Ų8634.3 Ų34.340%0.40217%0.169SC..G310 helixtrans-70.4-18.6-179.2-60.178.6-175.700112.4R182 N183 L275R182-E277 VanDerWaalsContact CG-OE1 3.23Å; R182-E277 WeakPolarHBondContact CG-OE1 3.32Å; N183-E277 PolarHBondContact N-OE1 3.23Å; N183-E277 VanDerWaalsContact N-OE1 3.1Å; L275-E277 PolarHBondContact O-N 2.83Å
278E94.3Very high95.4Very high33 Ų3331.5 Ų31.515%0.15416%0.155CC..G310 helixtrans-125.538.3-177.8-66.4-173.6-118.600111.3L275 T276 D280 K281 F282 F347 H348L275-E278 HydrophobicContact CB-CB 4.29Å; L275-E278 CarbonylContact O-C 3.57Å; L275-E278 PolarHBondContact O-N 2.96Å; L275-E278 VanDerWaalsContact O-N 3.11Å; T276-E278 PolarHBondContact O-N 3.2Å; E278-D280 VanDerWaalsContact C-N 3.34Å; E278-D280 PolarHBondContact O-N 2.89Å; E278-K281 HydrophobicContact CB-CB 4.41Å; E278-K281 HydrophobicContact CB-CD 4.02Å; E278-K281 HydrophobicContact CG-CD 4.22Å; E278-K281 WeakPolarHBondContact O-CB 3.23Å; E278-K281 PolarHBondContact O-N 3.45Å; E278-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 WeakPolarHBondContact OE2-CD 3.34Å; E278-K281 WeakPolarHBondContact OE2-CE 3.44Å; E278-K281 IonicContact OE2-NZ 2.93Å; E278-K281 PolarHBondContact OE2-NZ 2.86Å; E278-F282 PolarHBondContact O-N 3.44Å; E278-F347 HydrophobicContact CB-CE1 4.05Å; E278-H348 VanDerWaalsContact CD-NE2 3.26Å; E278-H348 IonicContact OE1-CD2 3.55Å; E278-H348 IonicContact OE1-CE1 3.54Å; E278-H348 PolarHBondContact OE1-CE1 3.1Å; E278-H348 VanDerWaalsContact OE1-CE1 3.25Å; E278-H348 IonicContact OE1-NE2 3.76Å; E278-H348 PolarHBondContact OE1-NE2 3.29Å; E278-H348 IonicContact OE2-CD2 3.09Å; E278-H348 IonicContact OE2-NE2 2.73Å; E278-H348 PolarHBondContact OE2-NE2 2.83Å; E278-H348 VanDerWaalsContact OE2-NE2 3.15Å
279F93.2Very high95.2Very high8 Ų829 Ų294%0.03515%0.145CC..Hα-helixtrans-50.5-48.2-176.8-177.2-101000113.3L105 L108 M180 L275 K281 F282 V283 W308 L310L105-F279 HydrophobicContact CB-CE2 4.12Å; L105-F279 HydrophobicContact CD1-CE2 4.03Å; L105-F279 HydrophobicContact CD1-CZ 4.28Å; L108-F279 HydrophobicContact CD2-CZ 4.48Å; M180-F279 HydrophobicContact CE-CD2 3.57Å; M180-F279 HydrophobicContact CE-CE2 4.23Å; M180-F279 HydrophobicContact SD-CD2 4.07Å; M180-F279 HydrophobicContact SD-CE2 4.14Å; L275-F279 PolarHBondContact O-N 2.85Å; F279-K281 VanDerWaalsContact C-N 3.28Å; F279-K281 PolarHBondContact O-N 3.44Å; F279-F282 WeakPolarHBondContact O-CB 3.47Å; F279-F282 PolarHBondContact O-N 3.21Å; F279-F282 VanDerWaalsContact O-N 3.08Å; F279-V283 HydrophobicContact CD1-CG2 4.01Å; F279-V283 HydrophobicContact CD2-CG2 4.49Å; F279-V283 HydrophobicContact CE1-CG2 3.61Å; F279-V283 HydrophobicContact CE2-CG2 4.14Å; F279-V283 HydrophobicContact CG-CG2 4.45Å; F279-V283 HydrophobicContact CZ-CG2 3.68Å; F279-V283 WeakPolarHBondContact O-CG2 3.21Å; F279-V283 PolarHBondContact O-N 3.05Å; F279-W308 HydrophobicContact CE1-CB 4.36Å; F279-W308 HydrophobicContact CE1-CD2 4.31Å; F279-W308 AromaticContact CE1-CG 3.95Å; F279-W308 HydrophobicContact CE1-CG 3.95Å; F279-L310 HydrophobicContact CD1-CD2 4.23Å; F279-L310 HydrophobicContact CD2-CD2 4.35Å; F279-L310 HydrophobicContact CE1-CD2 4.48Å; F279-L310 HydrophobicContact CG-CD2 4.16Å
280D92Very high95Very high62 Ų6227.2 Ų27.233%0.33214%0.136SC..Hα-helixtrans-58.8-40.9-179-61.8-24.6000111.9E278 V283 N284 I301E278-D280 VanDerWaalsContact C-N 3.34Å; E278-D280 PolarHBondContact O-N 2.89Å; D280-V283 PolarHBondContact O-N 3.43Å; D280-N284 PolarHBondContact O-N 3.42Å; D280-N284 PolarHBondContact O-ND2 2.94Å; D280-N284 PolarHBondContact O-OD1 2.86Å; D280-I301 HydrophobicContact CB-CD1 3.83Å
281K92.7Very high94.7Very high78 Ų7829.8 Ų29.834%0.33915%0.154SC..Hα-helixtrans-68.1-40.5176.9-67.1167.4168.4-167.60111.1E278 F279 N284 L285 F347 L351E278-K281 HydrophobicContact CB-CB 4.41Å; E278-K281 HydrophobicContact CB-CD 4.02Å; E278-K281 HydrophobicContact CG-CD 4.22Å; E278-K281 WeakPolarHBondContact O-CB 3.23Å; E278-K281 PolarHBondContact O-N 3.45Å; E278-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 WeakPolarHBondContact OE2-CD 3.34Å; E278-K281 WeakPolarHBondContact OE2-CE 3.44Å; E278-K281 IonicContact OE2-NZ 2.93Å; E278-K281 PolarHBondContact OE2-NZ 2.86Å; F279-K281 VanDerWaalsContact C-N 3.28Å; F279-K281 PolarHBondContact O-N 3.44Å; K281-N284 PolarHBondContact O-N 2.78Å; K281-L285 WeakPolarHBondContact O-CG 3.49Å; K281-L285 PolarHBondContact O-N 3.08Å; K281-L285 VanDerWaalsContact O-N 3.08Å; K281-F347 HydrophobicContact CB-CE1 4.49Å; K281-F347 HydrophobicContact CB-CZ 4.07Å; K281-L351 HydrophobicContact CB-CD1 4.29Å; K281-L351 HydrophobicContact CB-CD2 4.33Å; K281-L351 HydrophobicContact CD-CD2 3.7Å; K281-L351 HydrophobicContact CG-CD2 4.29Å
282F95.5Very high94.3Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-62.4-42.7175.7175.9-120.2000111.9L105 N179 M180 I272 E278 F279 L285 L286 F347L105-F282 HydrophobicContact CD1-CD1 4.41Å; L105-F282 HydrophobicContact CD1-CE1 4.05Å; L105-F282 HydrophobicContact CD2-CE1 3.98Å; N179-F282 WeakPolarHBondContact O-CZ 3.47Å; M180-F282 HydrophobicContact CE-CD1 4.18Å; M180-F282 HydrophobicContact CG-CD1 3.65Å; M180-F282 HydrophobicContact CG-CE1 3.22Å; M180-F282 HydrophobicContact CG-CZ 3.78Å; M180-F282 HydrophobicContact SD-CD1 3.64Å; M180-F282 HydrophobicContact SD-CE1 3.53Å; M180-F282 VanDerWaalsContact SD-CE1 3.53Å; I272-F282 HydrophobicContact CB-CE2 4.49Å; I272-F282 HydrophobicContact CD1-CD2 4.14Å; I272-F282 HydrophobicContact CD1-CE2 4.28Å; I272-F282 HydrophobicContact CG1-CD2 4.26Å; I272-F282 HydrophobicContact CG1-CE2 4.01Å; I272-F282 HydrophobicContact CG2-CE2 3.88Å; E278-F282 PolarHBondContact O-N 3.44Å; F279-F282 WeakPolarHBondContact O-CB 3.47Å; F279-F282 PolarHBondContact O-N 3.21Å; F279-F282 VanDerWaalsContact O-N 3.08Å; F282-L285 PolarHBondContact O-N 3.16Å; F282-L286 HydrophobicContact CD1-CD1 3.92Å; F282-L286 HydrophobicContact CD2-CG 4.38Å; F282-L286 HydrophobicContact CE1-CD1 3.46Å; F282-L286 VanDerWaalsContact CE1-CD1 3.46Å; F282-L286 HydrophobicContact CE1-CG 4.2Å; F282-L286 HydrophobicContact CE2-CD1 4.2Å; F282-L286 HydrophobicContact CE2-CD2 4.15Å; F282-L286 HydrophobicContact CE2-CG 4.03Å; F282-L286 HydrophobicContact CG-CD1 4.47Å; F282-L286 HydrophobicContact CZ-CD1 3.64Å; F282-L286 HydrophobicContact CZ-CD2 4.01Å; F282-L286 HydrophobicContact CZ-CG 3.94Å; F282-L286 WeakPolarHBondContact O-CG 3.38Å; F282-L286 PolarHBondContact O-N 3.11Å; F282-F347 HydrophobicContact CB-CE2 4Å; F282-F347 HydrophobicContact CB-CZ 4.11Å; F282-F347 HydrophobicContact CD2-CE2 4.06Å
283V94.2Very high94.2Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-62.5-43.1176.2173.60000111.7L105 L108 F279 D280 L285 L286 E287 A297 I301L105-V283 HydrophobicContact CD1-CG2 4.42Å; L108-V283 HydrophobicContact CD2-CB 4.33Å; L108-V283 HydrophobicContact CD2-CG1 3.73Å; L108-V283 HydrophobicContact CD2-CG2 3.59Å; F279-V283 HydrophobicContact CD1-CG2 4.01Å; F279-V283 HydrophobicContact CD2-CG2 4.49Å; F279-V283 HydrophobicContact CE1-CG2 3.61Å; F279-V283 HydrophobicContact CE2-CG2 4.14Å; F279-V283 HydrophobicContact CG-CG2 4.45Å; F279-V283 HydrophobicContact CZ-CG2 3.68Å; F279-V283 WeakPolarHBondContact O-CG2 3.21Å; F279-V283 PolarHBondContact O-N 3.05Å; D280-V283 PolarHBondContact O-N 3.43Å; V283-L285 VanDerWaalsContact C-N 3.27Å; V283-L285 PolarHBondContact O-N 3.07Å; V283-L286 WeakPolarHBondContact O-CB 3.06Å; V283-L286 PolarHBondContact O-N 3.41Å; V283-L286 VanDerWaalsContact O-N 3.16Å; V283-E287 PolarHBondContact O-N 3.42Å; V283-A297 HydrophobicContact CG1-CB 3.48Å; V283-A297 VanDerWaalsContact CG1-CB 3.48Å; V283-I301 HydrophobicContact CB-CG2 4.16Å; V283-I301 HydrophobicContact CG1-CG2 3.54Å
284N92Very high94Very high32 Ų3229.9 Ų29.917%0.17116%0.16CC..Hα-helixtrans-60.2-38.2175.4-64.5-20000112D280 K281 L288 H298 I301 L363D280-N284 PolarHBondContact O-N 3.42Å; D280-N284 PolarHBondContact O-ND2 2.94Å; D280-N284 PolarHBondContact O-OD1 2.86Å; K281-N284 PolarHBondContact O-N 2.78Å; N284-L288 PolarHBondContact O-N 3.41Å; N284-H298 PolarHBondContact OD1-ND1 3.35Å; N284-I301 WeakPolarHBondContact OD1-CD1 3.32Å; N284-L363 HydrophobicContact CB-CD1 4.24Å
285L93.8Very high93.8Very high4 Ų433.3 Ų33.32%0.02118%0.181CC..Hα-helixtrans-69.1-38.1175.3-68.3178.1000112.3I272 K281 F282 V283 E287 L288 L289 F347 I350 L351 L354I272-L285 HydrophobicContact CD1-CB 3.52Å; I272-L285 HydrophobicContact CD1-CD1 3.53Å; I272-L285 HydrophobicContact CD1-CG 4.13Å; K281-L285 WeakPolarHBondContact O-CG 3.49Å; K281-L285 PolarHBondContact O-N 3.08Å; K281-L285 VanDerWaalsContact O-N 3.08Å; F282-L285 PolarHBondContact O-N 3.16Å; V283-L285 VanDerWaalsContact C-N 3.27Å; V283-L285 PolarHBondContact O-N 3.07Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-E287 PolarHBondContact O-N 2.88Å; L285-L288 PolarHBondContact O-N 3.3Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.35Å; L285-L289 PolarHBondContact O-N 2.84Å; L285-F347 HydrophobicContact CD1-CD2 4.16Å; L285-F347 HydrophobicContact CD1-CE2 3.59Å; L285-F347 HydrophobicContact CD1-CZ 4.12Å; L285-I350 HydrophobicContact CD1-CG2 4.3Å; L285-I350 HydrophobicContact CD2-CG2 4.38Å; L285-L351 HydrophobicContact CD1-CB 4.29Å; L285-L351 HydrophobicContact CD1-CD1 4.16Å; L285-L351 HydrophobicContact CD2-CD1 4.28Å; L285-L351 HydrophobicContact CG-CD1 4.28Å; L285-L354 HydrophobicContact CD2-CD1 3.11Å; L285-L354 HydrophobicContact CD2-CG 4.5Å
286L95.9Very high93.5Very high0 Ų033.8 Ų33.80%019%0.186CC..Hα-helixtrans-62.5-39.9174.9-73.4173.2000112.2L105 I178 I272 F282 V283 L288 L289 L290 F294L105-L286 HydrophobicContact CD1-CD1 3.73Å; I178-L286 HydrophobicContact CD1-CD2 4.04Å; I178-L286 HydrophobicContact CG2-CD2 4.11Å; I272-L286 HydrophobicContact CG2-CD2 3.82Å; F282-L286 HydrophobicContact CD1-CD1 3.92Å; F282-L286 HydrophobicContact CD2-CG 4.38Å; F282-L286 HydrophobicContact CE1-CD1 3.46Å; F282-L286 VanDerWaalsContact CE1-CD1 3.46Å; F282-L286 HydrophobicContact CE1-CG 4.2Å; F282-L286 HydrophobicContact CE2-CD1 4.2Å; F282-L286 HydrophobicContact CE2-CD2 4.15Å; F282-L286 HydrophobicContact CE2-CG 4.03Å; F282-L286 HydrophobicContact CG-CD1 4.47Å; F282-L286 HydrophobicContact CZ-CD1 3.64Å; F282-L286 HydrophobicContact CZ-CD2 4.01Å; F282-L286 HydrophobicContact CZ-CG 3.94Å; F282-L286 WeakPolarHBondContact O-CG 3.38Å; F282-L286 PolarHBondContact O-N 3.11Å; V283-L286 WeakPolarHBondContact O-CB 3.06Å; V283-L286 PolarHBondContact O-N 3.41Å; V283-L286 VanDerWaalsContact O-N 3.16Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 3.35Å; L286-L289 PolarHBondContact O-N 3.1Å; L286-L290 HydrophobicContact CD2-CD1 4.28Å; L286-L290 CarbonylContact O-C 3.53Å; L286-L290 WeakPolarHBondContact O-CA 3.49Å; L286-L290 WeakPolarHBondContact O-CB 3.37Å; L286-L290 PolarHBondContact O-N 2.94Å; L286-F294 HydrophobicContact CB-CB 4.26Å; L286-F294 HydrophobicContact CB-CD1 3.98Å; L286-F294 HydrophobicContact CB-CD2 3.89Å; L286-F294 HydrophobicContact CB-CE1 4.28Å; L286-F294 HydrophobicContact CB-CE2 4.2Å; L286-F294 HydrophobicContact CB-CG 3.78Å; L286-F294 HydrophobicContact CB-CZ 4.39Å; L286-F294 HydrophobicContact CD1-CD1 4.22Å; L286-F294 HydrophobicContact CD1-CE1 3.76Å; L286-F294 HydrophobicContact CD1-CE2 4.37Å; L286-F294 HydrophobicContact CD1-CZ 3.85Å; L286-F294 HydrophobicContact CD2-CE2 4.11Å; L286-F294 HydrophobicContact CD2-CZ 4.32Å; L286-F294 HydrophobicContact CG-CE2 4.48Å; L286-F294 HydrophobicContact CG-CZ 4.44Å
287E94.2Very high93.3Very high33 Ų3332.9 Ų32.915%0.15418%0.18CC..Hα-helixtrans-60.6-39174.6-179.2164.9-161.700112.4V283 L285 P291 F294 G296 A297 H298 L363V283-E287 PolarHBondContact O-N 3.42Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-E287 PolarHBondContact O-N 2.88Å; E287-P291 WeakPolarHBondContact O-CA 3.44Å; E287-F294 HydrophobicContact CB-CB 4.35Å; E287-F294 WeakPolarHBondContact CB-O 3.32Å; E287-F294 WeakPolarHBondContact CG-O 3.18Å; E287-G296 WeakPolarHBondContact OE1-CA 3.48Å; E287-G296 PolarHBondContact OE1-N 3.46Å; E287-A297 HydrophobicContact CB-CB 4.3Å; E287-H298 WeakPolarHBondContact OE2-CA 3.47Å; E287-H298 WeakPolarHBondContact OE2-CB 3.25Å; E287-H298 PolarHBondContact OE2-N 3.36Å; E287-L363 HydrophobicContact CB-CD2 4.21Å; E287-L363 HydrophobicContact CG-CD2 4.14Å
288L91Very high93.1Very high46 Ų4631.6 Ų31.624%0.24117%0.174CC..Hα-helixtrans-73-43.8177.7-71.3173.3000113.1N284 L285 L286 L354 L363 F366N284-L288 PolarHBondContact O-N 3.41Å; L285-L288 PolarHBondContact O-N 3.3Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 PolarHBondContact O-N 3.35Å; L288-L354 HydrophobicContact CD1-CD1 4.29Å; L288-L363 HydrophobicContact CD1-CD1 4.13Å; L288-L363 HydrophobicContact CD1-CD2 4.36Å; L288-L363 HydrophobicContact CD1-CG 4.14Å; L288-L363 HydrophobicContact CD2-CD2 4.05Å; L288-L363 HydrophobicContact CD2-CG 3.93Å; L288-L363 HydrophobicContact CG-CD1 4.49Å; L288-L363 HydrophobicContact CG-CD2 3.84Å; L288-L363 HydrophobicContact CG-CG 4Å; L288-F366 HydrophobicContact CD1-CD1 4.46Å; L288-F366 HydrophobicContact CD2-CB 4.11Å
289L93Very high92.9Very high66 Ų6634.7 Ų34.735%0.34619%0.192SC..Hα-helixtrans-84-28.3-173.2-65.7172.7000112.9L271 I272 L285 L286 P291L271-L289 HydrophobicContact CD2-CB 4.17Å; I272-L289 HydrophobicContact CB-CD1 3.98Å; I272-L289 HydrophobicContact CD1-CD1 3.79Å; I272-L289 HydrophobicContact CG1-CD1 4.46Å; I272-L289 HydrophobicContact CG2-CD1 4.08Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.35Å; L285-L289 PolarHBondContact O-N 2.84Å; L286-L289 PolarHBondContact O-N 3.1Å; L289-P291 VanDerWaalsContact C-CD 3.49Å
290L94.2Very high92.7Very high8 Ų835 Ų354%0.04219%0.194CC..  trans-134.357.6-176.3-69.5176.2000111.5V92 I176 I178 L271 L286 S292 F293 F294V92-L290 HydrophobicContact CG2-CD1 3.99Å; I176-L290 HydrophobicContact CD1-CD2 3.7Å; I176-L290 HydrophobicContact CG2-CD1 4.37Å; I176-L290 HydrophobicContact CG2-CD2 4.19Å; I178-L290 HydrophobicContact CG2-CD1 3.89Å; L271-L290 HydrophobicContact CD2-CD1 3.96Å; L271-L290 HydrophobicContact CD2-CD2 3.73Å; L271-L290 HydrophobicContact CD2-CG 3.66Å; L286-L290 HydrophobicContact CD2-CD1 4.28Å; L286-L290 CarbonylContact O-C 3.53Å; L286-L290 WeakPolarHBondContact O-CA 3.49Å; L286-L290 WeakPolarHBondContact O-CB 3.37Å; L286-L290 PolarHBondContact O-N 2.94Å; L290-S292 PolarHBondContact O-N 3Å; L290-S292 VanDerWaalsContact O-N 3.12Å; L290-F293 HydrophobicContact CB-CD2 4.27Å; L290-F293 HydrophobicContact CD2-CD2 4.36Å; L290-F293 PolarHBondContact O-N 2.91Å; L290-F294 HydrophobicContact CB-CD2 3.69Å; L290-F294 HydrophobicContact CB-CE2 4.15Å; L290-F294 HydrophobicContact CD1-CD2 4.38Å; L290-F294 HydrophobicContact CD1-CE2 4Å; L290-F294 PolarHBondContact O-N 2.91Å
291P91.5Very high92.4Very high67 Ų6732.8 Ų32.844%0.43518%0.182SC..Hα-helixtrans-58.8-30.7-176.123.5-34.1000112.8E287 L289 F293 F294 T295E287-P291 WeakPolarHBondContact O-CA 3.44Å; L289-P291 VanDerWaalsContact C-CD 3.49Å; P291-F293 PolarHBondContact O-N 3.41Å; P291-F293 VanDerWaalsContact O-N 3.13Å; P291-F294 PolarHBondContact O-N 3.34Å; P291-T295 WeakPolarHBondContact O-CB 3.43Å; P291-T295 PolarHBondContact O-N 3.46Å; P291-T295 VanDerWaalsContact O-N 3.08Å; P291-T295 PolarHBondContact O-OG1 3.3Å
292S90.5Very high92.1Very high73 Ų7332.7 Ų32.751%0.5119%0.191SC..Hα-helixtrans-61-23.2176.359.20000113.9L290L290-S292 PolarHBondContact O-N 3Å; L290-S292 VanDerWaalsContact O-N 3.12Å
293F95.1Very high91.5Very high10 Ų1039.3 Ų39.34%0.04422%0.216CC..Hα-helixtrans-109-30.1179.9-64.5-81.2000113.3P90 V92 T120 P154 I156 L290 P291P90-F293 HydrophobicContact CB-CE2 3.8Å; P90-F293 HydrophobicContact CB-CZ 3.99Å; P90-F293 HydrophobicContact CG-CE2 3.46Å; P90-F293 VanDerWaalsContact CG-CE2 3.46Å; P90-F293 HydrophobicContact CG-CZ 3.67Å; P90-F293 WeakPolarHBondContact O-CZ 3.41Å; V92-F293 HydrophobicContact CG2-CD1 4.49Å; V92-F293 HydrophobicContact CG2-CD2 3.75Å; V92-F293 HydrophobicContact CG2-CE1 4.24Å; V92-F293 HydrophobicContact CG2-CE2 3.45Å; V92-F293 VanDerWaalsContact CG2-CE2 3.45Å; V92-F293 HydrophobicContact CG2-CG 4.25Å; V92-F293 HydrophobicContact CG2-CZ 3.71Å; T120-F293 HydrophobicContact CG2-CD1 3.76Å; T120-F293 HydrophobicContact CG2-CE1 3.87Å; P154-F293 HydrophobicContact CB-CE1 3.91Å; P154-F293 HydrophobicContact CB-CZ 3.99Å; I156-F293 HydrophobicContact CD1-CB 4.28Å; I156-F293 HydrophobicContact CD1-CD1 3.66Å; I156-F293 HydrophobicContact CD1-CE1 4.37Å; I156-F293 HydrophobicContact CD1-CG 4.28Å; I156-F293 HydrophobicContact CG1-CD1 3.61Å; I156-F293 HydrophobicContact CG1-CE1 3.83Å; I156-F293 HydrophobicContact CG1-CG 4.44Å; L290-F293 HydrophobicContact CB-CD2 4.27Å; L290-F293 HydrophobicContact CD2-CD2 4.36Å; L290-F293 PolarHBondContact O-N 2.91Å; P291-F293 PolarHBondContact O-N 3.41Å; P291-F293 VanDerWaalsContact O-N 3.13Å
294F95.2Very high90.4Very high1 Ų141.1 Ų41.10%0.00423%0.228CC..Hα-helixtrans-121.713.6-167.4-65.1-85.2000114.4L105 V109 L112 I178 L286 E287 L290 P291 G296 A297L105-F294 HydrophobicContact CD1-CE1 4.47Å; V109-F294 HydrophobicContact CG2-CE1 3.69Å; V109-F294 HydrophobicContact CG2-CZ 4.06Å; L112-F294 HydrophobicContact CD1-CD1 4.16Å; I178-F294 HydrophobicContact CD1-CE2 4.48Å; I178-F294 HydrophobicContact CD1-CZ 4.18Å; L286-F294 HydrophobicContact CB-CB 4.26Å; L286-F294 HydrophobicContact CB-CD1 3.98Å; L286-F294 HydrophobicContact CB-CD2 3.89Å; L286-F294 HydrophobicContact CB-CE1 4.28Å; L286-F294 HydrophobicContact CB-CE2 4.2Å; L286-F294 HydrophobicContact CB-CG 3.78Å; L286-F294 HydrophobicContact CB-CZ 4.39Å; L286-F294 HydrophobicContact CD1-CD1 4.22Å; L286-F294 HydrophobicContact CD1-CE1 3.76Å; L286-F294 HydrophobicContact CD1-CE2 4.37Å; L286-F294 HydrophobicContact CD1-CZ 3.85Å; L286-F294 HydrophobicContact CD2-CE2 4.11Å; L286-F294 HydrophobicContact CD2-CZ 4.32Å; L286-F294 HydrophobicContact CG-CE2 4.48Å; L286-F294 HydrophobicContact CG-CZ 4.44Å; E287-F294 HydrophobicContact CB-CB 4.35Å; E287-F294 WeakPolarHBondContact CB-O 3.32Å; E287-F294 WeakPolarHBondContact CG-O 3.18Å; L290-F294 HydrophobicContact CB-CD2 3.69Å; L290-F294 HydrophobicContact CB-CE2 4.15Å; L290-F294 HydrophobicContact CD1-CD2 4.38Å; L290-F294 HydrophobicContact CD1-CE2 4Å; L290-F294 PolarHBondContact O-N 2.91Å; P291-F294 PolarHBondContact O-N 3.34Å; F294-G296 PolarHBondContact O-N 3Å; F294-A297 HydrophobicContact CB-CB 4.3Å; F294-A297 WeakPolarHBondContact O-CB 3.44Å; F294-A297 PolarHBondContact O-N 3.13Å
295T93.1Very high88.8Confident72 Ų7249.4 Ų49.444%0.44226%0.263SS..THydrogen-bonded Turntrans-56.5128.8174.4-69.10000110.7N116 P291 A297N116-T295 PolarHBondContact ND2-O 3.45Å; P291-T295 WeakPolarHBondContact O-CB 3.43Å; P291-T295 PolarHBondContact O-N 3.46Å; P291-T295 VanDerWaalsContact O-N 3.08Å; P291-T295 PolarHBondContact O-OG1 3.3Å; T295-A297 VanDerWaalsContact C-N 3.33Å
296G92.2Very high87Confident11 Ų1154.3 Ų54.311%0.11329%0.289CS..THydrogen-bonded Turntrans86.7-1.6-179.300000114.3E287 F294 H298 N299 L300E287-G296 WeakPolarHBondContact OE1-CA 3.48Å; E287-G296 PolarHBondContact OE1-N 3.46Å; F294-G296 PolarHBondContact O-N 3Å; G296-H298 PolarHBondContact O-N 3.08Å; G296-N299 PolarHBondContact O-N 2.85Å; G296-N299 VanDerWaalsContact O-N 3.13Å; G296-L300 PolarHBondContact O-N 2.84Å
297A92.7Very high85.1Confident0 Ų061.5 Ų61.50%032%0.321CS..Hα-helixtrans-56.9-46.8-179.100000112.4L108 L112 V283 E287 F294 T295 N299 L300 I301L108-A297 HydrophobicContact CD1-CB 4.09Å; L112-A297 HydrophobicContact CD1-CB 3.87Å; L112-A297 HydrophobicContact CD2-CB 4.36Å; V283-A297 HydrophobicContact CG1-CB 3.48Å; V283-A297 VanDerWaalsContact CG1-CB 3.48Å; E287-A297 HydrophobicContact CB-CB 4.3Å; F294-A297 HydrophobicContact CB-CB 4.3Å; F294-A297 WeakPolarHBondContact O-CB 3.44Å; F294-A297 PolarHBondContact O-N 3.13Å; T295-A297 VanDerWaalsContact C-N 3.33Å; A297-N299 VanDerWaalsContact C-N 3.3Å; A297-N299 PolarHBondContact O-N 3.14Å; A297-L300 PolarHBondContact O-N 3.09Å; A297-I301 WeakPolarHBondContact O-CG2 3.43Å; A297-I301 PolarHBondContact O-N 3.44Å
298H89.7Confident83.4Confident60 Ų6060.8 Ų60.828%0.27832%0.317SS..Hα-helixtrans-59-39.7177.3179.170.7000112.8N284 E287 G296 L300 I301 S302 L363N284-H298 PolarHBondContact OD1-ND1 3.35Å; E287-H298 WeakPolarHBondContact OE2-CA 3.47Å; E287-H298 WeakPolarHBondContact OE2-CB 3.25Å; E287-H298 PolarHBondContact OE2-N 3.36Å; G296-H298 PolarHBondContact O-N 3.08Å; H298-L300 VanDerWaalsContact C-N 3.35Å; H298-I301 WeakPolarHBondContact O-CG1 3.27Å; H298-I301 PolarHBondContact O-N 3.41Å; H298-S302 WeakPolarHBondContact O-CB 3.32Å; H298-S302 PolarHBondContact O-N 2.92Å; H298-S302 PolarHBondContact O-OG 2.88Å; H298-L363 HydrophobicContact CB-CD2 4.48Å
299N90Very high82Confident98 Ų9864.9 Ų64.952%0.52433%0.334SS..Hα-helixtrans-69.6-38.4179.2-71.6-21.6000111.2G296 A297 I301 R303G296-N299 PolarHBondContact O-N 2.85Å; G296-N299 VanDerWaalsContact O-N 3.13Å; A297-N299 VanDerWaalsContact C-N 3.3Å; A297-N299 PolarHBondContact O-N 3.14Å; N299-I301 VanDerWaalsContact C-N 3.34Å; N299-R303 VanDerWaalsContact O-CG 3.32Å; N299-R303 WeakPolarHBondContact O-CG 3.4Å; N299-R303 PolarHBondContact O-N 3.11Å; N299-R303 PolarHBondContact O-NE 3.36Å; N299-R303 VanDerWaalsContact O-NE 3.09Å
300L88.4Confident80.7Confident15 Ų1564.5 Ų64.58%0.07933%0.332CS..Hα-helixtrans-67-37.4176-168.856000111L108 Q111 L112 E115 G296 A297 H298 W308L108-L300 HydrophobicContact CD1-CD2 4.18Å; Q111-L300 HydrophobicContact CB-CD2 3.61Å; L112-L300 HydrophobicContact CD2-CB 4.42Å; L112-L300 HydrophobicContact CD2-CD2 3.77Å; L112-L300 HydrophobicContact CG-CD2 4.02Å; E115-L300 WeakPolarHBondContact OE1-CD1 3.38Å; G296-L300 PolarHBondContact O-N 2.84Å; A297-L300 PolarHBondContact O-N 3.09Å; H298-L300 VanDerWaalsContact C-N 3.35Å; L300-W308 HydrophobicContact CB-CH2 4.05Å; L300-W308 HydrophobicContact CB-CZ2 3.88Å; L300-W308 HydrophobicContact CD2-CH2 3.44Å; L300-W308 VanDerWaalsContact CD2-CH2 3.44Å; L300-W308 HydrophobicContact CD2-CZ2 4.14Å; L300-W308 HydrophobicContact CD2-CZ3 4.41Å; L300-W308 HydrophobicContact CG-CH2 3.35Å; L300-W308 HydrophobicContact CG-CZ2 3.63Å; L300-W308 HydrophobicContact CG-CZ3 4.45Å
301I86.5Confident80.1Confident14 Ų1466.8 Ų66.87%0.07234%0.34CS..Hα-helixtrans-63.9-45.6175.886.1175.1000112.3D280 V283 N284 A297 H298 N299 R303 S304 W308D280-I301 HydrophobicContact CB-CD1 3.83Å; V283-I301 HydrophobicContact CB-CG2 4.16Å; V283-I301 HydrophobicContact CG1-CG2 3.54Å; N284-I301 WeakPolarHBondContact OD1-CD1 3.32Å; A297-I301 WeakPolarHBondContact O-CG2 3.43Å; A297-I301 PolarHBondContact O-N 3.44Å; H298-I301 WeakPolarHBondContact O-CG1 3.27Å; H298-I301 PolarHBondContact O-N 3.41Å; N299-I301 VanDerWaalsContact C-N 3.34Å; I301-R303 VanDerWaalsContact C-N 3.31Å; I301-R303 PolarHBondContact O-N 3.37Å; I301-S304 PolarHBondContact O-N 2.52Å; I301-S304 PolarHBondContact O-OG 2.87Å; I301-W308 HydrophobicContact CB-CZ2 4.09Å; I301-W308 VanDerWaalsContact CG2-CE2 3.44Å; I301-W308 HydrophobicContact CG2-CZ2 3.56Å
302S84.9Confident79.8Confident77 Ų7771.5 Ų71.554%0.53835%0.349SS..Hα-helixtrans-71.1-27-173.4-57.80000112.9H298H298-S302 WeakPolarHBondContact O-CB 3.32Å; H298-S302 PolarHBondContact O-N 2.92Å; H298-S302 PolarHBondContact O-OG 2.88Å
303R82.9Confident79.8Confident139 Ų13969 Ų6953%0.52533%0.331SS..Hα-helixtrans-76-24.9176.9-77.6-180-72.3144.6-9113.7E115 N299 I301 K305E115-R303 VanDerWaalsContact CD-NH2 3.29Å; E115-R303 IonicContact OE1-CZ 2.67Å; E115-R303 IonicContact OE1-NH1 2.74Å; E115-R303 PolarHBondContact OE1-NH1 3.31Å; E115-R303 IonicContact OE1-NH2 3.73Å; E115-R303 PolarHBondContact OE1-NH2 3.35Å; E115-R303 IonicContact OE2-CZ 2.7Å; E115-R303 IonicContact OE2-NH1 3.88Å; E115-R303 IonicContact OE2-NH2 3.15Å; E115-R303 PolarHBondContact OE2-NH2 3.04Å; N299-R303 VanDerWaalsContact O-CG 3.32Å; N299-R303 WeakPolarHBondContact O-CG 3.4Å; N299-R303 PolarHBondContact O-N 3.11Å; N299-R303 PolarHBondContact O-NE 3.36Å; N299-R303 VanDerWaalsContact O-NE 3.09Å; I301-R303 VanDerWaalsContact C-N 3.31Å; I301-R303 PolarHBondContact O-N 3.37Å; R303-K305 PolarHBondContact O-N 2.88Å; R303-K305 VanDerWaalsContact O-N 3.17Å
304S70.8Confident79.5Confident37 Ų3772.9 Ų72.926%0.25935%0.352SS..  trans-72.9109.5-176.169.70000111.3I301 D306 K307 W308I301-S304 PolarHBondContact O-N 2.52Å; I301-S304 PolarHBondContact O-OG 2.87Å; S304-D306 PolarHBondContact O-N 2.79Å; S304-K307 PolarHBondContact O-N 2.85Å; S304-K307 VanDerWaalsContact O-N 3.15Å; S304-K307 WeakPolarHBondContact OG-CA 3.47Å; S304-W308 PolarHBondContact OG-N 3.28Å
305K58.3Low79.3Confident206 Ų20678 Ų7890%0.89637%0.372SS*.THydrogen-bonded Turntrans-58-35.6172.1-73.6-175.6178.2179.10111.4R303 K307R303-K305 PolarHBondContact O-N 2.88Å; R303-K305 VanDerWaalsContact O-N 3.17Å; K305-K307 VanDerWaalsContact C-N 3.29Å; K305-K307 PolarHBondContact O-N 2.88Å
306D57.4Low79.3Confident108 Ų10879.2 Ų79.258%0.57837%0.371SS*.THydrogen-bonded Turntrans-91.840.1175.9-62-44.4000112.2S304 W308 H309S304-D306 PolarHBondContact O-N 2.79Å; D306-W308 VanDerWaalsContact C-N 3.29Å; D306-W308 CarbonylContact O-C 3.37Å; D306-W308 WeakPolarHBondContact O-CA 3.44Å; D306-W308 PolarHBondContact O-N 3.45Å; D306-H309 IonicContact OD2-CE1 3.72Å; D306-H309 PolarHBondContact OD2-CE1 3.17Å; D306-H309 IonicContact OD2-NE2 3.11Å
307K56.1Low79.3Confident151 Ų15181.3 Ų81.366%0.65738%0.38SS*.SBendtrans22.660175.3-68.3-167.4175.6-168.80114.9S304 K305S304-K307 PolarHBondContact O-N 2.85Å; S304-K307 VanDerWaalsContact O-N 3.15Å; S304-K307 WeakPolarHBondContact OG-CA 3.47Å; K305-K307 VanDerWaalsContact C-N 3.29Å; K305-K307 PolarHBondContact O-N 2.88Å
308W58.5Low79.4Confident18 Ų1886.7 Ų86.77%0.06842%0.415CS..SBendtrans50.7128.2-162.4-61.884.4000112.6L108 Q111 F279 L300 I301 S304 D306 L310L108-W308 HydrophobicContact CB-CE3 3.91Å; L108-W308 HydrophobicContact CB-CH2 3.62Å; L108-W308 HydrophobicContact CB-CZ2 4.38Å; L108-W308 HydrophobicContact CB-CZ3 3.35Å; L108-W308 HydrophobicContact CD1-CH2 3Å; L108-W308 HydrophobicContact CD1-CZ2 3.31Å; L108-W308 HydrophobicContact CD1-CZ3 3.76Å; L108-W308 HydrophobicContact CG-CH2 3.85Å; L108-W308 HydrophobicContact CG-CZ2 4.33Å; L108-W308 HydrophobicContact CG-CZ3 4.12Å; Q111-W308 VanDerWaalsContact OE1-CZ3 3.31Å; F279-W308 HydrophobicContact CE1-CB 4.36Å; F279-W308 HydrophobicContact CE1-CD2 4.31Å; F279-W308 AromaticContact CE1-CG 3.95Å; F279-W308 HydrophobicContact CE1-CG 3.95Å; L300-W308 HydrophobicContact CB-CH2 4.05Å; L300-W308 HydrophobicContact CB-CZ2 3.88Å; L300-W308 HydrophobicContact CD2-CH2 3.44Å; L300-W308 VanDerWaalsContact CD2-CH2 3.44Å; L300-W308 HydrophobicContact CD2-CZ2 4.14Å; L300-W308 HydrophobicContact CD2-CZ3 4.41Å; L300-W308 HydrophobicContact CG-CH2 3.35Å; L300-W308 HydrophobicContact CG-CZ2 3.63Å; L300-W308 HydrophobicContact CG-CZ3 4.45Å; I301-W308 HydrophobicContact CB-CZ2 4.09Å; I301-W308 VanDerWaalsContact CG2-CE2 3.44Å; I301-W308 HydrophobicContact CG2-CZ2 3.56Å; S304-W308 PolarHBondContact OG-N 3.28Å; D306-W308 VanDerWaalsContact C-N 3.29Å; D306-W308 CarbonylContact O-C 3.37Å; D306-W308 WeakPolarHBondContact O-CA 3.44Å; D306-W308 PolarHBondContact O-N 3.45Å; W308-L310 PolarHBondContact O-N 3.38Å
309H60.1Low79.7Confident131 Ų13185.6 Ų85.661%0.60641%0.411SS*.  trans-63.382164.4-64.1-61.3000109.6D306 R311D306-H309 IonicContact OD2-CE1 3.72Å; D306-H309 PolarHBondContact OD2-CE1 3.17Å; D306-H309 IonicContact OD2-NE2 3.11Å; H309-R311 PolarHBondContact O-N 2.96Å
310L67.6Low80Confident58 Ų5883.1 Ų83.130%0.30440%0.401SS..  trans-60.3110.9163.7-69.8178000103S104 F279 W308 R312S104-L310 VanDerWaalsContact CB-CD2 3.45Å; S104-L310 WeakPolarHBondContact OG-CA 3.33Å; S104-L310 WeakPolarHBondContact OG-CD2 3.47Å; F279-L310 HydrophobicContact CD1-CD2 4.23Å; F279-L310 HydrophobicContact CD2-CD2 4.35Å; F279-L310 HydrophobicContact CE1-CD2 4.48Å; F279-L310 HydrophobicContact CG-CD2 4.16Å; W308-L310 PolarHBondContact O-N 3.38Å; L310-R312 VanDerWaalsContact O-CG 3.31Å; L310-R312 WeakPolarHBondContact O-CG 3.28Å; L310-R312 PolarHBondContact O-N 3.39Å
311R80Confident80.4Confident56 Ų5691.6 Ų91.621%0.21144%0.437CS..  trans-47109.3171.4171.1178.9170.4-146.8-5.7108.4T103 D199 D200 Y201 H309T103-R311 HydrophobicContact CG2-CB 4.3Å; T103-R311 PolarHBondContact OG1-NH1 2.84Å; D199-R311 HydrophobicContact CB-CG 3.93Å; D199-R311 IonicContact OD2-CZ 3.51Å; D199-R311 IonicContact OD2-NE 3.34Å; D199-R311 PolarHBondContact OD2-NE 3Å; D199-R311 IonicContact OD2-NH2 3.81Å; D199-R311 PolarHBondContact OD2-NH2 3.42Å; D200-R311 WeakPolarHBondContact OD1-CA 3.32Å; Y201-R311 HydrophobicContact CG-CG 4.5Å; H309-R311 PolarHBondContact O-N 2.96Å
312R86Confident80.9Confident166 Ų16694.2 Ų94.263%0.62646%0.461SS*.  trans-102.3146.8-176.1-83.2174.4-55.7-171.17.4109.5D199 D200 L310 N314D199-R312 WeakPolarHBondContact CA-O 3.38Å; D199-R312 VanDerWaalsContact CB-O 3.26Å; D199-R312 WeakPolarHBondContact CB-O 3.18Å; D200-R312 PolarHBondContact N-O 3.19Å; D200-R312 PolarHBondContact OD1-N 3.44Å; D200-R312 IonicContact OD2-NE 3.01Å; L310-R312 VanDerWaalsContact O-CG 3.31Å; L310-R312 WeakPolarHBondContact O-CG 3.28Å; L310-R312 PolarHBondContact O-N 3.39Å; R312-N314 PolarHBondContact O-N 2.88Å
313T89.9Confident81.5Confident20 Ų2090.9 Ų90.912%0.12344%0.437CS..BIsolated β-bridgetrans-70127.1164.9-60.40000107.2K99 S190 F194 G198 Y315K99-T313 PolarHBondContact NZ-OG1 3.21Å; S190-T313 PolarHBondContact O-OG1 3.42Å; F194-T313 HydrophobicContact CB-CG2 4.23Å; G198-T313 WeakPolarHBondContact O-CA 3.48Å; T313-Y315 WeakPolarHBondContact CG2-O 3.38Å; T313-Y315 PolarHBondContact O-N 3.42Å
314N89.5Confident82.2Confident93 Ų9386 Ų8650%0.49742%0.423SS..SBendtrans-55.9-38.2-172-72.4-30.4000113.6Y197 G198 D199 D200 R312Y197-N314 PolarHBondContact O-ND2 3.48Å; G198-N314 PolarHBondContact O-N 2.86Å; D199-N314 VanDerWaalsContact C-ND2 3.34Å; D199-N314 PolarHBondContact N-ND2 3.01Å; D199-N314 PolarHBondContact O-ND2 3.4Å; D199-N314 VanDerWaalsContact O-ND2 3.1Å; D199-N314 PolarHBondContact O-OD1 3.26Å; D200-N314 WeakPolarHBondContact CA-OD1 3.27Å; D200-N314 PolarHBondContact N-OD1 3.13Å; R312-N314 PolarHBondContact O-N 2.88Å
315Y90.5Very high83.5Confident109 Ų10989.2 Ų89.243%0.42743%0.432SS..  trans-140.5132.1-178.9-177.2-103.8000110.1Y193 Y197 T313 L317Y193-Y315 VanDerWaalsContact CB-O 3.32Å; Y193-Y315 WeakPolarHBondContact CB-O 3.21Å; Y197-Y315 HydrophobicContact CD1-CD1 4.28Å; Y197-Y315 HydrophobicContact CD1-CG 4.48Å; Y197-Y315 AromaticContact CD2-CD1 3.94Å; Y197-Y315 HydrophobicContact CD2-CD1 3.94Å; Y197-Y315 AromaticContact CE1-CD1 3.97Å; Y197-Y315 HydrophobicContact CE1-CD1 3.97Å; Y197-Y315 AromaticContact CE2-CD1 3.66Å; Y197-Y315 HydrophobicContact CE2-CD1 3.66Å; Y197-Y315 HydrophobicContact CE2-CE1 4.37Å; Y197-Y315 HydrophobicContact CG-CD1 4.26Å; Y197-Y315 HydrophobicContact CG-CG 4.49Å; Y197-Y315 AromaticContact CZ-CD1 3.65Å; T313-Y315 WeakPolarHBondContact CG2-O 3.38Å; T313-Y315 PolarHBondContact O-N 3.42Å; Y315-L317 HydrophobicContact CE1-CD1 4.07Å; Y315-L317 HydrophobicContact CE1-CD2 4.42Å; Y315-L317 HydrophobicContact CE1-CG 3.8Å; Y315-L317 VanDerWaalsContact OH-CD2 3.29Å; Y315-L317 WeakPolarHBondContact OH-CD2 3.28Å
316K92.2Very high85.3Confident96 Ų9683.6 Ų83.642%0.41741%0.411SS..  trans-148.2120.3179.7-173.4-174.170.9158.90109V189 Y193V189-K316 HydrophobicContact CG1-CD 4.23Å; V189-K316 HydrophobicContact CG1-CG 4.2Å; Y193-K316 HydrophobicContact CD2-CB 4.28Å; Y193-K316 HydrophobicContact CD2-CG 3.63Å; Y193-K316 HydrophobicContact CE2-CG 4.16Å; Y193-K316 HydrophobicContact CG-CB 4.46Å; Y193-K316 HydrophobicContact CG-CG 4.27Å
317L93Very high87.2Confident55 Ų5578.5 Ų78.529%0.28838%0.384SS..PPolyproline II helixtrans-86.2145.8169.9-69.7166.1000110.6Y193 T219 Y315Y193-L317 HydrophobicContact CE1-CB 4.5Å; Y193-L317 HydrophobicContact CE2-CB 4.49Å; Y193-L317 WeakPolarHBondContact CE2-O 3.29Å; Y193-L317 WeakPolarHBondContact OH-CB 3.44Å; T219-L317 HydrophobicContact CG2-CD1 3.77Å; Y315-L317 HydrophobicContact CE1-CD1 4.07Å; Y315-L317 HydrophobicContact CE1-CD2 4.42Å; Y315-L317 HydrophobicContact CE1-CG 3.8Å; Y315-L317 VanDerWaalsContact OH-CD2 3.29Å; Y315-L317 WeakPolarHBondContact OH-CD2 3.28Å
318P94.3Very high89.2Confident113 Ų11374.9 Ų74.973%0.73437%0.369SS*.PPolyproline II helixtrans-64.3154167.330.1-34.2000110.4
319I96.2Very high90.9Very high38 Ų3878.6 Ų78.620%0.19539%0.39CS..PPolyproline II helixtrans-93.9149.5175.359.5171.9000110.9L185 V189 F220 T323 T324L185-I319 HydrophobicContact CD1-CD1 4.32Å; L185-I319 HydrophobicContact CD2-CD1 3.43Å; L185-I319 VanDerWaalsContact CD2-CD1 3.43Å; L185-I319 HydrophobicContact CG-CD1 3.76Å; V189-I319 HydrophobicContact CG1-CG2 4.18Å; V189-I319 HydrophobicContact CG2-CD1 4.3Å; V189-I319 HydrophobicContact CG2-CG2 3.68Å; F220-I319 HydrophobicContact CB-CG2 4.05Å; F220-I319 HydrophobicContact CD1-CG2 3.55Å; F220-I319 HydrophobicContact CE1-CG2 4.26Å; F220-I319 HydrophobicContact CG-CG2 4.01Å; I319-T323 HydrophobicContact CB-CG2 4.37Å; I319-T324 VanDerWaalsContact CD1-OG1 3.3Å; I319-T324 WeakPolarHBondContact CD1-OG1 3.26Å
320S97Very high92.7Very high45 Ų4574 Ų7432%0.31537%0.37SS..PPolyproline II helixtrans-67.7156.7176.275.90000112.4D221 A322 T323 T324D221-S320 PolarHBondContact OD1-N 3.11Å; D221-S320 VanDerWaalsContact OD2-CB 3.26Å; D221-S320 WeakPolarHBondContact OD2-CB 3.43Å; D221-S320 PolarHBondContact OD2-N 3.02Å; D221-S320 PolarHBondContact OD2-OG 2.93Å; S320-A322 PolarHBondContact O-N 3.31Å; S320-T323 PolarHBondContact O-N 2.87Å; S320-T323 PolarHBondContact OG-N 3.04Å; S320-T323 VanDerWaalsContact OG-N 3.11Å; S320-T323 PolarHBondContact OG-OG1 2.99Å; S320-T323 VanDerWaalsContact OG-OG1 3.12Å; S320-T324 PolarHBondContact O-N 3.45Å; S320-T324 PolarHBondContact O-OG1 3.14Å
321K97.2Very high94.2Very high193 Ų19375.1 Ų75.184%0.83938%0.381SS*.Hα-helixtrans-60.3-33.5172.5-67.9-176.7180179.10112.1T324 K325K321-T324 PolarHBondContact O-N 3.4Å; K321-K325 PolarHBondContact O-N 2.93Å
322A96.4Very high95Very high69 Ų6973.1 Ų73.157%0.5737%0.374SS*.Hα-helixtrans-63.8-47177.500000111S320 T324 K325 I326S320-A322 PolarHBondContact O-N 3.31Å; A322-T324 PolarHBondContact O-N 2.86Å; A322-K325 PolarHBondContact O-N 3.1Å; A322-I326 WeakPolarHBondContact O-CG1 3.28Å; A322-I326 PolarHBondContact O-N 3.3Å; A322-I326 VanDerWaalsContact O-N 3.14Å
323T97.6Very high95.6Very high7 Ų767 Ų674%0.04335%0.351CS..Hα-helixtrans-58.9-48.6173.1-62.10000111.5F220 D221 V224 I319 S320 K325 I326 Y327F220-T323 HydrophobicContact CD1-CG2 3.96Å; F220-T323 HydrophobicContact CE1-CG2 3.94Å; D221-T323 VanDerWaalsContact CG-OG1 3.24Å; D221-T323 WeakPolarHBondContact OD1-CB 3.49Å; D221-T323 WeakPolarHBondContact OD1-CG2 3.31Å; D221-T323 PolarHBondContact OD1-OG1 3.18Å; V224-T323 HydrophobicContact CB-CG2 4.37Å; V224-T323 HydrophobicContact CG1-CG2 4.39Å; V224-T323 HydrophobicContact CG2-CG2 3.94Å; I319-T323 HydrophobicContact CB-CG2 4.37Å; S320-T323 PolarHBondContact O-N 2.87Å; S320-T323 PolarHBondContact OG-N 3.04Å; S320-T323 VanDerWaalsContact OG-N 3.11Å; S320-T323 PolarHBondContact OG-OG1 2.99Å; S320-T323 VanDerWaalsContact OG-OG1 3.12Å; T323-K325 PolarHBondContact O-N 3.19Å; T323-I326 WeakPolarHBondContact O-CB 3.29Å; T323-I326 PolarHBondContact O-N 3.45Å; T323-I326 VanDerWaalsContact O-N 3.16Å; T323-Y327 HydrophobicContact CG2-CD2 4.1Å; T323-Y327 HydrophobicContact CG2-CE2 4Å; T323-Y327 WeakPolarHBondContact O-CD2 3.45Å; T323-Y327 PolarHBondContact O-N 3.26Å
324T97.7Very high96Very high36 Ų3670.5 Ų70.522%0.22137%0.366CS..Hα-helixtrans-55-41.4178-60.50000111.5L185 I319 S320 K321 A322 Y327 Q328L185-T324 HydrophobicContact CD2-CG2 4.28Å; I319-T324 VanDerWaalsContact CD1-OG1 3.3Å; I319-T324 WeakPolarHBondContact CD1-OG1 3.26Å; S320-T324 PolarHBondContact O-N 3.45Å; S320-T324 PolarHBondContact O-OG1 3.14Å; K321-T324 PolarHBondContact O-N 3.4Å; A322-T324 PolarHBondContact O-N 2.86Å; T324-Y327 PolarHBondContact O-N 3.1Å; T324-Q328 HydrophobicContact CG2-CG 4.33Å; T324-Q328 VanDerWaalsContact O-CG 3.32Å; T324-Q328 WeakPolarHBondContact O-CG 3.49Å; T324-Q328 PolarHBondContact O-N 3.27Å
325K97.1Very high96.5Very high105 Ų10566.5 Ų66.546%0.45735%0.346SS..Hα-helixtrans-65.7-40.8179.7-174.354175.81560112.8K321 A322 T323 Y327 Q328 D329K321-K325 PolarHBondContact O-N 2.93Å; A322-K325 PolarHBondContact O-N 3.1Å; T323-K325 PolarHBondContact O-N 3.19Å; K325-Y327 PolarHBondContact O-N 3.35Å; K325-Q328 HydrophobicContact CD-CB 4.47Å; K325-Q328 PolarHBondContact O-N 3.25Å; K325-Q328 VanDerWaalsContact O-N 3.1Å; K325-D329 WeakPolarHBondContact CE-OD1 3.43Å; K325-D329 WeakPolarHBondContact CE-OD2 3.27Å; K325-D329 IonicContact NZ-OD1 3.75Å; K325-D329 PolarHBondContact NZ-OD1 3.02Å; K325-D329 IonicContact NZ-OD2 3.18Å; K325-D329 PolarHBondContact O-N 3.06Å
326I96.5Very high96.9Very high89 Ų8961.3 Ų61.346%0.45633%0.326SS..Hα-helixtrans-54.6-41.3174.6-67.3168.2000111V224 A322 T323V224-I326 HydrophobicContact CG1-CD1 3.75Å; V224-I326 HydrophobicContact CG1-CG2 4.33Å; A322-I326 WeakPolarHBondContact O-CG1 3.28Å; A322-I326 PolarHBondContact O-N 3.3Å; A322-I326 VanDerWaalsContact O-N 3.14Å; T323-I326 WeakPolarHBondContact O-CB 3.29Å; T323-I326 PolarHBondContact O-N 3.45Å; T323-I326 VanDerWaalsContact O-N 3.16Å
327Y97.9Very high97.2Very high1 Ų157.7 Ų57.70%0.00431%0.31CS..Hα-helixtrans-73.2-40.5176.9-80.9-83.3000112.9L185 L188 F220 V224 C231 P233 L236 T323 T324 K325 D329 N330 W333L185-Y327 HydrophobicContact CD1-CD1 4.07Å; L185-Y327 HydrophobicContact CD1-CD2 3.82Å; L185-Y327 HydrophobicContact CD1-CE1 4.11Å; L185-Y327 HydrophobicContact CD1-CE2 3.99Å; L185-Y327 HydrophobicContact CD1-CG 3.84Å; L185-Y327 HydrophobicContact CD2-CD2 4.42Å; L185-Y327 HydrophobicContact CD2-CG 4.38Å; L188-Y327 HydrophobicContact CD2-CE1 3.93Å; F220-Y327 AromaticContact CE1-CE2 3.64Å; F220-Y327 HydrophobicContact CE1-CE2 3.64Å; F220-Y327 AromaticContact CE1-CZ 3.96Å; F220-Y327 HydrophobicContact CZ-CE2 4.01Å; F220-Y327 AromaticContact CZ-CZ 3.82Å; F220-Y327 WeakPolarHBondContact CZ-OH 2.93Å; V224-Y327 HydrophobicContact CG2-CE2 3.87Å; C231-Y327 PolarHBondContact O-OH 3.35Å; P233-Y327 HydrophobicContact CB-CE1 4.28Å; P233-Y327 HydrophobicContact CG-CE1 4.19Å; L236-Y327 HydrophobicContact CD1-CD1 3.43Å; L236-Y327 VanDerWaalsContact CD1-CD1 3.43Å; L236-Y327 HydrophobicContact CD1-CE1 3.76Å; L236-Y327 HydrophobicContact CG-CD1 4.24Å; L236-Y327 HydrophobicContact CG-CE1 4.1Å; T323-Y327 HydrophobicContact CG2-CD2 4.1Å; T323-Y327 HydrophobicContact CG2-CE2 4Å; T323-Y327 WeakPolarHBondContact O-CD2 3.45Å; T323-Y327 PolarHBondContact O-N 3.26Å; T324-Y327 PolarHBondContact O-N 3.1Å; K325-Y327 PolarHBondContact O-N 3.35Å; Y327-D329 PolarHBondContact O-N 2.9Å; Y327-N330 VanDerWaalsContact O-CB 3.24Å; Y327-N330 WeakPolarHBondContact O-CB 3.03Å; Y327-N330 PolarHBondContact O-N 2.89Å; Y327-W333 WeakPolarHBondContact O-CB 3.4Å; Y327-W333 VanDerWaalsContact O-CG 3.31Å
328Q97.3Very high97.5Very high74 Ų7459.4 Ų59.435%0.34632%0.317SS..Hα-helixtrans-58.4-31.9-179.9-75.2175.1-16.800113.6T324 K325 N330 W333 Q334T324-Q328 HydrophobicContact CG2-CG 4.33Å; T324-Q328 VanDerWaalsContact O-CG 3.32Å; T324-Q328 WeakPolarHBondContact O-CG 3.49Å; T324-Q328 PolarHBondContact O-N 3.27Å; K325-Q328 HydrophobicContact CD-CB 4.47Å; K325-Q328 PolarHBondContact O-N 3.25Å; K325-Q328 VanDerWaalsContact O-N 3.1Å; Q328-N330 VanDerWaalsContact C-N 3.26Å; Q328-N330 PolarHBondContact O-N 3.43Å; Q328-W333 HydrophobicContact CB-CE3 4.34Å; Q328-W333 HydrophobicContact CB-CH2 4.34Å; Q328-W333 HydrophobicContact CB-CZ3 4.14Å; Q328-W333 HydrophobicContact CG-CD2 4.46Å; Q328-W333 HydrophobicContact CG-CE3 4.32Å; Q328-W333 HydrophobicContact CG-CH2 3.6Å; Q328-W333 HydrophobicContact CG-CZ2 3.75Å; Q328-W333 HydrophobicContact CG-CZ3 3.91Å; Q328-Q334 PolarHBondContact O-NE2 2.82Å
329D95.8Very high97.7Very high96 Ų9654 Ų5451%0.51328%0.282SS..THydrogen-bonded Turntrans-82.3-4.2178.5-61-24.6000112.6K325 Y327K325-D329 WeakPolarHBondContact CE-OD1 3.43Å; K325-D329 WeakPolarHBondContact CE-OD2 3.27Å; K325-D329 IonicContact NZ-OD1 3.75Å; K325-D329 PolarHBondContact NZ-OD1 3.02Å; K325-D329 IonicContact NZ-OD2 3.18Å; K325-D329 PolarHBondContact O-N 3.06Å; Y327-D329 PolarHBondContact O-N 2.9Å
330N97.4Very high97.8Very high35 Ų3553 Ų5319%0.18728%0.275CS..SBendtrans-88.8131.3179.9-168.8-73.7000112.2P233 Y327 Q328 I332 W333 Q334P233-N330 WeakPolarHBondContact CB-ND2 3.47Å; Y327-N330 VanDerWaalsContact O-CB 3.24Å; Y327-N330 WeakPolarHBondContact O-CB 3.03Å; Y327-N330 PolarHBondContact O-N 2.89Å; Q328-N330 VanDerWaalsContact C-N 3.26Å; Q328-N330 PolarHBondContact O-N 3.43Å; N330-I332 VanDerWaalsContact C-N 3.28Å; N330-I332 PolarHBondContact O-N 3.21Å; N330-I332 VanDerWaalsContact OD1-CB 3.25Å; N330-I332 WeakPolarHBondContact OD1-CB 3.46Å; N330-I332 WeakPolarHBondContact OD1-CG1 3.35Å; N330-I332 PolarHBondContact OD1-N 2.88Å; N330-W333 HydrophobicContact CB-CB 4.31Å; N330-W333 WeakPolarHBondContact O-CB 3.21Å; N330-W333 PolarHBondContact O-N 2.84Å; N330-W333 VanDerWaalsContact O-N 3.11Å; N330-Q334 WeakPolarHBondContact O-CG 3.45Å; N330-Q334 PolarHBondContact O-N 3.17Å
331P97.8Very high97.9Very high82 Ų8254.3 Ų54.353%0.53228%0.279SS..Hα-helixtrans-63.7-28.9-178.224.6-34.8000114Q334 A335P331-Q334 PolarHBondContact O-N 3.33Å; P331-A335 PolarHBondContact O-N 3.37Å; P331-A335 VanDerWaalsContact O-N 3.08Å
332I98.5Very high98Very high14 Ų1447.2 Ų47.27%0.07225%0.248CC..Hα-helixtrans-67.7-42.4176.4-55.7171.6000110Q234 L236 W237 P253 N330 E336Q234-I332 HydrophobicContact CG-CD1 4.3Å; L236-I332 HydrophobicContact CB-CG2 3.98Å; W237-I332 HydrophobicContact CB-CG2 3.82Å; W237-I332 HydrophobicContact CE3-CG2 4.02Å; P253-I332 HydrophobicContact CB-CD1 3.52Å; P253-I332 HydrophobicContact CB-CG1 3.79Å; P253-I332 HydrophobicContact CB-CG2 4.33Å; N330-I332 VanDerWaalsContact C-N 3.28Å; N330-I332 PolarHBondContact O-N 3.21Å; N330-I332 VanDerWaalsContact OD1-CB 3.25Å; N330-I332 WeakPolarHBondContact OD1-CB 3.46Å; N330-I332 WeakPolarHBondContact OD1-CG1 3.35Å; N330-I332 PolarHBondContact OD1-N 2.88Å; I332-E336 WeakPolarHBondContact O-CB 3.17Å; I332-E336 PolarHBondContact O-N 3.21Å; I332-E336 VanDerWaalsContact O-N 3.1Å
333W98.5Very high98.1Very high36 Ų3644 Ų4414%0.13622%0.222CC..Hα-helixtrans-64.7-43.4175.6-178.391.9000111.1L236 Y327 Q328 N330 A335 E336 Q337L236-W333 HydrophobicContact CD1-CB 3.56Å; L236-W333 HydrophobicContact CD1-CG 4.05Å; Y327-W333 WeakPolarHBondContact O-CB 3.4Å; Y327-W333 VanDerWaalsContact O-CG 3.31Å; Q328-W333 HydrophobicContact CB-CE3 4.34Å; Q328-W333 HydrophobicContact CB-CH2 4.34Å; Q328-W333 HydrophobicContact CB-CZ3 4.14Å; Q328-W333 HydrophobicContact CG-CD2 4.46Å; Q328-W333 HydrophobicContact CG-CE3 4.32Å; Q328-W333 HydrophobicContact CG-CH2 3.6Å; Q328-W333 HydrophobicContact CG-CZ2 3.75Å; Q328-W333 HydrophobicContact CG-CZ3 3.91Å; N330-W333 HydrophobicContact CB-CB 4.31Å; N330-W333 WeakPolarHBondContact O-CB 3.21Å; N330-W333 PolarHBondContact O-N 2.84Å; N330-W333 VanDerWaalsContact O-N 3.11Å; W333-A335 VanDerWaalsContact C-N 3.34Å; W333-A335 PolarHBondContact O-N 2.77Å; W333-E336 PolarHBondContact O-N 2.96Å; W333-Q337 HydrophobicContact CD2-CB 4.08Å; W333-Q337 HydrophobicContact CE3-CB 4.03Å; W333-Q337 HydrophobicContact CH2-CB 3.88Å; W333-Q337 HydrophobicContact CH2-CG 3.49Å; W333-Q337 VanDerWaalsContact CH2-CG 3.49Å; W333-Q337 HydrophobicContact CZ2-CB 3.92Å; W333-Q337 HydrophobicContact CZ2-CG 3.65Å; W333-Q337 HydrophobicContact CZ3-CB 3.93Å; W333-Q337 HydrophobicContact CZ3-CG 3.98Å; W333-Q337 WeakPolarHBondContact O-CB 3.42Å; W333-Q337 PolarHBondContact O-N 3.31Å
334Q98.5Very high98.2Very high95 Ų9548.8 Ų48.844%0.44424%0.239SC..Hα-helixtrans-57.2-48.3178.9-69.8169.9-7.700111Q328 N330 P331 Q337 E338Q328-Q334 PolarHBondContact O-NE2 2.82Å; N330-Q334 WeakPolarHBondContact O-CG 3.45Å; N330-Q334 PolarHBondContact O-N 3.17Å; P331-Q334 PolarHBondContact O-N 3.33Å; Q334-Q337 PolarHBondContact O-N 2.03Å; Q334-E338 WeakPolarHBondContact O-CB 3.42Å; Q334-E338 PolarHBondContact O-N 3.35Å
335A98.7Very high98.2Very high8 Ų851 Ų517%0.06625%0.252CS..Hα-helixtrans-63.6-43.9178.300000113.1W237 L259 P331 W333 F339W237-A335 HydrophobicContact CH2-CB 4.46Å; W237-A335 HydrophobicContact CZ3-CB 3.77Å; L259-A335 WeakPolarHBondContact CD1-O 3.03Å; L259-A335 HydrophobicContact CD2-CB 4.2Å; P331-A335 PolarHBondContact O-N 3.37Å; P331-A335 VanDerWaalsContact O-N 3.08Å; W333-A335 VanDerWaalsContact C-N 3.34Å; W333-A335 PolarHBondContact O-N 2.77Å; A335-F339 WeakPolarHBondContact O-CB 3.45Å; A335-F339 PolarHBondContact O-N 2.97Å
336E98.8Very high98.2Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-67.3-37.2177-80-80.8168.900112.7P184 L236 W237 V238 Q239 V240 I332 W333 Y340P184-E336 HydrophobicContact CB-CB 3.75Å; P184-E336 HydrophobicContact CG-CB 4.06Å; L236-E336 VanDerWaalsContact O-CD 3.23Å; L236-E336 WeakPolarHBondContact O-CG 3.22Å; W237-E336 WeakPolarHBondContact CA-OE1 3.31Å; W237-E336 HydrophobicContact CE3-CG 4.02Å; W237-E336 HydrophobicContact CZ3-CG 4.5Å; V238-E336 PolarHBondContact N-OE1 3.47Å; Q239-E336 WeakPolarHBondContact CB-OE2 3.48Å; Q239-E336 VanDerWaalsContact CG-OE2 3.32Å; Q239-E336 WeakPolarHBondContact CG-OE2 3.39Å; Q239-E336 PolarHBondContact N-OE1 3.01Å; Q239-E336 PolarHBondContact N-OE2 3.24Å; Q239-E336 PolarHBondContact NE2-OE2 3.35Å; V240-E336 HydrophobicContact CG2-CG 4.42Å; V240-E336 PolarHBondContact N-OE1 3.36Å; I332-E336 WeakPolarHBondContact O-CB 3.17Å; I332-E336 PolarHBondContact O-N 3.21Å; I332-E336 VanDerWaalsContact O-N 3.1Å; W333-E336 PolarHBondContact O-N 2.96Å; E336-Y340 WeakPolarHBondContact O-CB 3.32Å; E336-Y340 PolarHBondContact O-N 2.91Å
337Q98.8Very high98.3Very high20 Ų2045 Ų459%0.09322%0.224CC..Hα-helixtrans-72.5-39.5178.3-175.863.261.700111.3N183 P184 W333 Q334 Y340 N341N183-Q337 PolarHBondContact ND2-OE1 2.85Å; P184-Q337 HydrophobicContact CG-CB 4.35Å; W333-Q337 HydrophobicContact CD2-CB 4.08Å; W333-Q337 HydrophobicContact CE3-CB 4.03Å; W333-Q337 HydrophobicContact CH2-CB 3.88Å; W333-Q337 HydrophobicContact CH2-CG 3.49Å; W333-Q337 VanDerWaalsContact CH2-CG 3.49Å; W333-Q337 HydrophobicContact CZ2-CB 3.92Å; W333-Q337 HydrophobicContact CZ2-CG 3.65Å; W333-Q337 HydrophobicContact CZ3-CB 3.93Å; W333-Q337 HydrophobicContact CZ3-CG 3.98Å; W333-Q337 WeakPolarHBondContact O-CB 3.42Å; W333-Q337 PolarHBondContact O-N 3.31Å; Q334-Q337 PolarHBondContact O-N 2.03Å; Q337-Y340 PolarHBondContact O-N 3.42Å; Q337-N341 PolarHBondContact NE2-OD1 3.04Å; Q337-N341 WeakPolarHBondContact O-CB 3.48Å; Q337-N341 VanDerWaalsContact O-CG 3.23Å; Q337-N341 PolarHBondContact O-N 3.29Å; Q337-N341 PolarHBondContact O-ND2 3.39Å
338E98.8Very high98.3Very high92 Ų9247 Ų4743%0.4323%0.233SC..Hα-helixtrans-61.6-46.1173.6-173.9-179.4154.900110.8L259 K263 Q334 Y340 N341 F342L259-E338 HydrophobicContact CD2-CB 4.36Å; L259-E338 HydrophobicContact CD2-CG 4.33Å; K263-E338 IonicContact NZ-OE1 2.72Å; K263-E338 PolarHBondContact NZ-OE1 3.18Å; Q334-E338 WeakPolarHBondContact O-CB 3.42Å; Q334-E338 PolarHBondContact O-N 3.35Å; E338-Y340 PolarHBondContact O-N 3.1Å; E338-N341 PolarHBondContact O-N 2.65Å; E338-F342 WeakPolarHBondContact O-CB 3.41Å; E338-F342 PolarHBondContact O-N 3.33Å
339F98.9Very high98.2Very high0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-58.6-46.1173.4-177.8-109.7000112.3I181 Q239 V240 F243 L259 A262 K263 V266 A335 N341 F342 V343I181-F339 HydrophobicContact CG2-CE1 4.3Å; Q239-F339 HydrophobicContact CB-CD1 4.18Å; Q239-F339 HydrophobicContact CB-CE1 4.22Å; V240-F339 HydrophobicContact CG2-CB 3.58Å; V240-F339 HydrophobicContact CG2-CD1 4.08Å; V240-F339 HydrophobicContact CG2-CD2 4.45Å; V240-F339 HydrophobicContact CG2-CG 3.78Å; F243-F339 HydrophobicContact CB-CE2 4.47Å; F243-F339 HydrophobicContact CB-CZ 3.98Å; F243-F339 HydrophobicContact CD1-CZ 4.23Å; F243-F339 AromaticContact CD2-CE1 3.39Å; F243-F339 HydrophobicContact CD2-CE1 3.39Å; F243-F339 HydrophobicContact CD2-CE2 4.39Å; F243-F339 AromaticContact CD2-CZ 3.22Å; F243-F339 HydrophobicContact CD2-CZ 3.22Å; F243-F339 AromaticContact CE2-CE1 3.58Å; F243-F339 HydrophobicContact CE2-CE1 3.58Å; F243-F339 AromaticContact CE2-CZ 3.65Å; F243-F339 HydrophobicContact CE2-CZ 3.65Å; F243-F339 HydrophobicContact CG-CE1 4.21Å; F243-F339 HydrophobicContact CG-CE2 4.45Å; F243-F339 AromaticContact CG-CZ 3.57Å; F243-F339 HydrophobicContact CG-CZ 3.57Å; F243-F339 HydrophobicContact CZ-CZ 4.32Å; L259-F339 HydrophobicContact CD1-CB 3.59Å; L259-F339 HydrophobicContact CD1-CD2 4.25Å; L259-F339 HydrophobicContact CD1-CG 4.35Å; A262-F339 HydrophobicContact CB-CD2 3.98Å; A262-F339 HydrophobicContact CB-CE2 3.68Å; A262-F339 HydrophobicContact CB-CZ 4.33Å; K263-F339 HydrophobicContact CG-CD2 4.16Å; V266-F339 HydrophobicContact CG2-CE2 3.8Å; V266-F339 HydrophobicContact CG2-CZ 3.73Å; A335-F339 WeakPolarHBondContact O-CB 3.45Å; A335-F339 PolarHBondContact O-N 2.97Å; F339-N341 PolarHBondContact O-N 2.73Å; F339-F342 WeakPolarHBondContact O-CB 3.25Å; F339-F342 PolarHBondContact O-N 3.11Å; F339-V343 HydrophobicContact CD1-CG2 4.45Å; F339-V343 HydrophobicContact CD2-CG2 4.38Å; F339-V343 HydrophobicContact CE1-CG2 3.95Å; F339-V343 HydrophobicContact CE2-CG2 3.86Å; F339-V343 HydrophobicContact CZ-CG2 3.61Å; F339-V343 WeakPolarHBondContact O-CG2 3.26Å; F339-V343 PolarHBondContact O-N 3.24Å
340Y98.9Very high98Very high15 Ų1545.4 Ų45.46%0.05923%0.23CC..Hα-helixtrans-59.5-45.1177.1174-90.1000112.1I181 R182 N183 L275 E336 Q337 E338 V343 R344I181-Y340 HydrophobicContact CD1-CD2 3.58Å; I181-Y340 HydrophobicContact CD1-CE2 4.22Å; I181-Y340 HydrophobicContact CD1-CG 4.26Å; I181-Y340 HydrophobicContact CG1-CD2 4.1Å; I181-Y340 HydrophobicContact CG1-CE2 4.38Å; R182-Y340 VanDerWaalsContact O-CD2 3.25Å; R182-Y340 WeakPolarHBondContact O-CD2 3.5Å; N183-Y340 HydrophobicContact CB-CE2 4.44Å; L275-Y340 HydrophobicContact CD2-CE2 3.93Å; E336-Y340 WeakPolarHBondContact O-CB 3.32Å; E336-Y340 PolarHBondContact O-N 2.91Å; Q337-Y340 PolarHBondContact O-N 3.42Å; E338-Y340 PolarHBondContact O-N 3.1Å; Y340-V343 PolarHBondContact O-N 2.81Å; Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.46Å; Y340-R344 PolarHBondContact O-N 3.45Å
341N98.9Very high97.7Very high73 Ų7344.1 Ų44.139%0.3922%0.223SC..Hα-helixtrans-65-40.4178.8-71.5-16.5000111.7Q337 E338 F339 R344 T345Q337-N341 PolarHBondContact NE2-OD1 3.04Å; Q337-N341 WeakPolarHBondContact O-CB 3.48Å; Q337-N341 VanDerWaalsContact O-CG 3.23Å; Q337-N341 PolarHBondContact O-N 3.29Å; Q337-N341 PolarHBondContact O-ND2 3.39Å; E338-N341 PolarHBondContact O-N 2.65Å; F339-N341 PolarHBondContact O-N 2.73Å; N341-R344 PolarHBondContact O-N 2.98Å; N341-T345 PolarHBondContact O-N 2.55Å; N341-T345 PolarHBondContact O-OG1 3.29Å; N341-T345 VanDerWaalsContact O-OG1 3.06Å
342F98.9Very high97.3Very high45 Ų4544.8 Ų44.820%0.19722%0.222CC..Hα-helixtrans-57.9-54.9174.4171.3-94000111.3K263 V266 I267 E338 F339 R344 T345 E346K263-F342 HydrophobicContact CB-CD1 3.98Å; K263-F342 HydrophobicContact CB-CE1 3.8Å; K263-F342 HydrophobicContact CB-CE2 4.44Å; K263-F342 HydrophobicContact CB-CG 4.4Å; K263-F342 HydrophobicContact CB-CZ 4.06Å; K263-F342 HydrophobicContact CD-CD1 4.43Å; K263-F342 HydrophobicContact CD-CD2 4.14Å; K263-F342 HydrophobicContact CD-CG 4.08Å; K263-F342 HydrophobicContact CG-CB 4.41Å; K263-F342 HydrophobicContact CG-CD1 3.7Å; K263-F342 HydrophobicContact CG-CD2 4.28Å; K263-F342 HydrophobicContact CG-CE1 4.06Å; K263-F342 HydrophobicContact CG-CG 3.84Å; V266-F342 HydrophobicContact CB-CE1 4.15Å; V266-F342 HydrophobicContact CG1-CE1 4.11Å; I267-F342 HydrophobicContact CD1-CE2 4.42Å; I267-F342 HydrophobicContact CD1-CZ 3.76Å; I267-F342 HydrophobicContact CG1-CE1 4.41Å; I267-F342 HydrophobicContact CG1-CZ 3.75Å; E338-F342 WeakPolarHBondContact O-CB 3.41Å; E338-F342 PolarHBondContact O-N 3.33Å; F339-F342 WeakPolarHBondContact O-CB 3.25Å; F339-F342 PolarHBondContact O-N 3.11Å; F342-R344 VanDerWaalsContact C-N 3.3Å; F342-R344 PolarHBondContact O-N 3.42Å; F342-T345 WeakPolarHBondContact O-CB 3.48Å; F342-T345 PolarHBondContact O-N 2.93Å; F342-T345 VanDerWaalsContact O-N 3.13Å; F342-E346 HydrophobicContact CE1-CG 4.04Å; F342-E346 HydrophobicContact CE2-CG 4.34Å; F342-E346 HydrophobicContact CZ-CG 3.87Å; F342-E346 PolarHBondContact O-N 2.97Å; F342-E346 VanDerWaalsContact O-N 3.08Å
343V98.8Very high96.5Very high1 Ų146.6 Ų46.61%0.00624%0.239CC..Hα-helixtrans-61.9-38.2179.3172.40000111.9I181 V266 V273 F339 Y340 T345 E346 F347I181-V343 HydrophobicContact CD1-CB 3.42Å; I181-V343 VanDerWaalsContact CD1-CB 3.42Å; I181-V343 HydrophobicContact CD1-CG1 3.39Å; I181-V343 HydrophobicContact CD1-CG2 3.96Å; I181-V343 HydrophobicContact CG1-CB 4.47Å; I181-V343 HydrophobicContact CG1-CG1 3.92Å; V266-V343 HydrophobicContact CG1-CG2 4.22Å; V266-V343 HydrophobicContact CG2-CG2 3.96Å; V273-V343 HydrophobicContact CB-CG1 3.8Å; V273-V343 HydrophobicContact CG1-CG1 3.52Å; F339-V343 HydrophobicContact CD1-CG2 4.45Å; F339-V343 HydrophobicContact CD2-CG2 4.38Å; F339-V343 HydrophobicContact CE1-CG2 3.95Å; F339-V343 HydrophobicContact CE2-CG2 3.86Å; F339-V343 HydrophobicContact CZ-CG2 3.61Å; F339-V343 WeakPolarHBondContact O-CG2 3.26Å; F339-V343 PolarHBondContact O-N 3.24Å; Y340-V343 PolarHBondContact O-N 2.81Å; V343-T345 VanDerWaalsContact C-N 3.32Å; V343-T345 PolarHBondContact O-N 3.07Å; V343-E346 PolarHBondContact O-N 3.1Å; V343-F347 WeakPolarHBondContact O-CB 3.44Å; V343-F347 PolarHBondContact O-N 3.29Å
344R98.7Very high95.4Very high108 Ų10846.1 Ų46.141%0.40824%0.239SC..Hα-helixtrans-59.1-43.9175.4172.2173.3-173.7-169.43.8111.6L275 Y340 N341 F342 F347 H348L275-R344 HydrophobicContact CD1-CB 4Å; L275-R344 HydrophobicContact CD1-CG 3.78Å; L275-R344 HydrophobicContact CD2-CB 4.2Å; Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.46Å; Y340-R344 PolarHBondContact O-N 3.45Å; N341-R344 PolarHBondContact O-N 2.98Å; F342-R344 VanDerWaalsContact C-N 3.3Å; F342-R344 PolarHBondContact O-N 3.42Å; R344-F347 PolarHBondContact O-N 3.41Å; R344-H348 WeakPolarHBondContact O-CB 3.46Å; R344-H348 PolarHBondContact O-N 3.32Å
345T98.5Very high94.1Very high82 Ų8246.1 Ų46.150%0.50324%0.239SC..Hα-helixtrans-62.7-44.6176.5-610000111.5N341 F342 V343 H348 T349N341-T345 PolarHBondContact O-N 2.55Å; N341-T345 PolarHBondContact O-OG1 3.29Å; N341-T345 VanDerWaalsContact O-OG1 3.06Å; F342-T345 WeakPolarHBondContact O-CB 3.48Å; F342-T345 PolarHBondContact O-N 2.93Å; F342-T345 VanDerWaalsContact O-N 3.13Å; V343-T345 VanDerWaalsContact C-N 3.32Å; V343-T345 PolarHBondContact O-N 3.07Å; T345-H348 PolarHBondContact O-N 3.34Å; T345-T349 WeakPolarHBondContact O-CB 3.3Å; T345-T349 PolarHBondContact O-N 3.28Å; T345-T349 PolarHBondContact O-OG1 3.35Å
346E97.9Very high92.3Very high65 Ų6549.2 Ų49.230%0.30427%0.271SS..Hα-helixtrans-61.2-47.4175.9-67.3-54.7116.100111.6F342 V343 H348 T349 I350F342-E346 HydrophobicContact CE1-CG 4.04Å; F342-E346 HydrophobicContact CE2-CG 4.34Å; F342-E346 HydrophobicContact CZ-CG 3.87Å; F342-E346 PolarHBondContact O-N 2.97Å; F342-E346 VanDerWaalsContact O-N 3.08Å; V343-E346 PolarHBondContact O-N 3.1Å; E346-H348 PolarHBondContact O-N 3.05Å; E346-T349 WeakPolarHBondContact O-CB 3.31Å; E346-T349 PolarHBondContact O-N 3.22Å; E346-I350 WeakPolarHBondContact O-CG1 3.38Å; E346-I350 PolarHBondContact O-N 3.37Å
347F98Very high90Very high2 Ų253 Ų531%0.00929%0.289CS..Hα-helixtrans-59-46178177.4-104.9000112.2I272 V273 L275 E278 K281 F282 L285 V343 R344 I350 L351I272-F347 HydrophobicContact CD1-CD2 4.38Å; I272-F347 HydrophobicContact CD1-CE2 4.36Å; V273-F347 WeakPolarHBondContact O-CD2 2.99Å; L275-F347 HydrophobicContact CD1-CD1 3.86Å; L275-F347 HydrophobicContact CD1-CE1 4.41Å; L275-F347 HydrophobicContact CG-CD1 3.94Å; L275-F347 HydrophobicContact CG-CE1 4.44Å; L275-F347 HydrophobicContact CG-CG 4.33Å; E278-F347 HydrophobicContact CB-CE1 4.05Å; K281-F347 HydrophobicContact CB-CE1 4.49Å; K281-F347 HydrophobicContact CB-CZ 4.07Å; F282-F347 HydrophobicContact CB-CE2 4Å; F282-F347 HydrophobicContact CB-CZ 4.11Å; F282-F347 HydrophobicContact CD2-CE2 4.06Å; L285-F347 HydrophobicContact CD1-CD2 4.16Å; L285-F347 HydrophobicContact CD1-CE2 3.59Å; L285-F347 HydrophobicContact CD1-CZ 4.12Å; V343-F347 WeakPolarHBondContact O-CB 3.44Å; V343-F347 PolarHBondContact O-N 3.29Å; R344-F347 PolarHBondContact O-N 3.41Å; F347-I350 PolarHBondContact O-N 3.49Å; F347-L351 WeakPolarHBondContact O-CB 3.18Å; F347-L351 PolarHBondContact O-N 3.29Å
348H97.1Very high87.6Confident44 Ų4453 Ų5320%0.20429%0.291CS..Hα-helixtrans-69.6-32.1177.7-73.3174.2000112.8E278 R344 T345 E346 L351 N352E278-H348 VanDerWaalsContact CD-NE2 3.26Å; E278-H348 IonicContact OE1-CD2 3.55Å; E278-H348 IonicContact OE1-CE1 3.54Å; E278-H348 PolarHBondContact OE1-CE1 3.1Å; E278-H348 VanDerWaalsContact OE1-CE1 3.25Å; E278-H348 IonicContact OE1-NE2 3.76Å; E278-H348 PolarHBondContact OE1-NE2 3.29Å; E278-H348 IonicContact OE2-CD2 3.09Å; E278-H348 IonicContact OE2-NE2 2.73Å; E278-H348 PolarHBondContact OE2-NE2 2.83Å; E278-H348 VanDerWaalsContact OE2-NE2 3.15Å; R344-H348 WeakPolarHBondContact O-CB 3.46Å; R344-H348 PolarHBondContact O-N 3.32Å; T345-H348 PolarHBondContact O-N 3.34Å; E346-H348 PolarHBondContact O-N 3.05Å; H348-L351 PolarHBondContact O-N 2.64Å; H348-N352 WeakPolarHBondContact O-CB 3.34Å; H348-N352 PolarHBondContact O-N 3.11Å; H348-N352 PolarHBondContact O-ND2 3.32Å
349T94.9Very high85.2Confident80 Ų8053.8 Ų53.849%0.49131%0.307SS..Hα-helixtrans-61.9-48.5173.5-61.70000110.9T345 E346 N352 A353T345-T349 WeakPolarHBondContact O-CB 3.3Å; T345-T349 PolarHBondContact O-N 3.28Å; T345-T349 PolarHBondContact O-OG1 3.35Å; E346-T349 WeakPolarHBondContact O-CB 3.31Å; E346-T349 PolarHBondContact O-N 3.22Å; T349-N352 PolarHBondContact O-N 3.24Å; T349-A353 WeakPolarHBondContact O-CB 3.4Å; T349-A353 PolarHBondContact O-N 3.03Å
350I92.4Very high82.9Confident57 Ų5762.5 Ų62.529%0.29235%0.347SS..Hα-helixtrans-61.1-47.7175.9-63.9165.9000110.5L285 E346 F347 N352 L354L285-I350 HydrophobicContact CD1-CG2 4.3Å; L285-I350 HydrophobicContact CD2-CG2 4.38Å; E346-I350 WeakPolarHBondContact O-CG1 3.38Å; E346-I350 PolarHBondContact O-N 3.37Å; F347-I350 PolarHBondContact O-N 3.49Å; I350-N352 PolarHBondContact O-N 3.07Å; I350-L354 HydrophobicContact CG2-CD1 4.22Å; I350-L354 WeakPolarHBondContact O-CD1 3.43Å; I350-L354 WeakPolarHBondContact O-CG 3.01Å; I350-L354 PolarHBondContact O-N 3.21Å
351L91Very high80.7Confident8 Ų865.5 Ų65.54%0.04236%0.362CS..Hα-helixtrans-60.9-46.4-179.3-177.867.9000112.4K281 L285 F347 H348 L354 Q355K281-L351 HydrophobicContact CB-CD1 4.29Å; K281-L351 HydrophobicContact CB-CD2 4.33Å; K281-L351 HydrophobicContact CD-CD2 3.7Å; K281-L351 HydrophobicContact CG-CD2 4.29Å; L285-L351 HydrophobicContact CD1-CB 4.29Å; L285-L351 HydrophobicContact CD1-CD1 4.16Å; L285-L351 HydrophobicContact CD2-CD1 4.28Å; L285-L351 HydrophobicContact CG-CD1 4.28Å; F347-L351 WeakPolarHBondContact O-CB 3.18Å; F347-L351 PolarHBondContact O-N 3.29Å; H348-L351 PolarHBondContact O-N 2.64Å; L351-L354 WeakPolarHBondContact O-CB 3.45Å; L351-L354 PolarHBondContact O-N 3.42Å; L351-Q355 HydrophobicContact CD1-CG 4.4Å; L351-Q355 HydrophobicContact CG-CG 4.46Å; L351-Q355 WeakPolarHBondContact O-CG 3.24Å; L351-Q355 PolarHBondContact O-N 2.91Å
352N89.1Confident78.4Confident95 Ų9566.2 Ų66.251%0.50837%0.37SS..Hα-helixtrans-71.5-37.4-177.1-70.8-19.8000111.9H348 T349 I350 L354 Q355 G356H348-N352 WeakPolarHBondContact O-CB 3.34Å; H348-N352 PolarHBondContact O-N 3.11Å; H348-N352 PolarHBondContact O-ND2 3.32Å; T349-N352 PolarHBondContact O-N 3.24Å; I350-N352 PolarHBondContact O-N 3.07Å; N352-L354 PolarHBondContact O-N 3.08Å; N352-Q355 PolarHBondContact O-N 3.45Å; N352-G356 PolarHBondContact O-N 3.11Å
353A83.2Confident76.2Confident52 Ų5265.8 Ų65.843%0.4337%0.37SS..Hα-helixtrans-54-42.8173.800000110T349 Y370T349-A353 WeakPolarHBondContact O-CB 3.4Å; T349-A353 PolarHBondContact O-N 3.03Å; A353-Y370 PolarHBondContact O-OH 2.94Å
354L75.6Confident74.1Confident27 Ų2770.4 Ų70.414%0.14140%0.402CS..Hα-helixtrans-68.7-56.7175.3-65.8166000110.8L285 L288 I350 L351 N352 G356 F366 Y370L285-L354 HydrophobicContact CD2-CD1 3.11Å; L285-L354 HydrophobicContact CD2-CG 4.5Å; L288-L354 HydrophobicContact CD1-CD1 4.29Å; I350-L354 HydrophobicContact CG2-CD1 4.22Å; I350-L354 WeakPolarHBondContact O-CD1 3.43Å; I350-L354 WeakPolarHBondContact O-CG 3.01Å; I350-L354 PolarHBondContact O-N 3.21Å; L351-L354 WeakPolarHBondContact O-CB 3.45Å; L351-L354 PolarHBondContact O-N 3.42Å; N352-L354 PolarHBondContact O-N 3.08Å; L354-G356 PolarHBondContact O-N 3.43Å; L354-F366 VanDerWaalsContact C-CZ 3.47Å; L354-F366 HydrophobicContact CB-CD1 4.42Å; L354-F366 HydrophobicContact CB-CE1 3.64Å; L354-F366 HydrophobicContact CB-CZ 4.37Å; L354-F366 HydrophobicContact CD2-CD1 4.32Å; L354-F366 HydrophobicContact CD2-CE1 4.27Å; L354-F366 WeakPolarHBondContact O-CE1 3.16Å; L354-F366 WeakPolarHBondContact O-CZ 3.38Å; L354-Y370 WeakPolarHBondContact CA-OH 3.36Å; L354-Y370 HydrophobicContact CD2-CD2 4.28Å; L354-Y370 HydrophobicContact CD2-CE2 3.63Å
355Q71.2Confident71.7Confident95 Ų9572.1 Ų72.144%0.44441%0.409SS..Hα-helixtrans-62.6-37.5-174.8-71.4-177.1-20.500115.2L351 N352 Q357 S358L351-Q355 HydrophobicContact CD1-CG 4.4Å; L351-Q355 HydrophobicContact CG-CG 4.46Å; L351-Q355 WeakPolarHBondContact O-CG 3.24Å; L351-Q355 PolarHBondContact O-N 2.91Å; N352-Q355 PolarHBondContact O-N 3.45Å; Q355-Q357 PolarHBondContact O-N 3.12Å; Q355-S358 PolarHBondContact O-N 2.88Å; Q355-S358 VanDerWaalsContact O-N 3.11Å
356G59.3Low69.4Low72 Ų7269.2 Ų69.274%0.74239%0.389SS*.THydrogen-bonded Turntrans-64.2-7-174.200000115.8N352 L354N352-G356 PolarHBondContact O-N 3.11Å; L354-G356 PolarHBondContact O-N 3.43Å
357Q51.3Low67.3Low79 Ų7968.9 Ų68.937%0.36939%0.394SS..THydrogen-bonded Turntrans-109.74.7178-59.1-172.617.500113.7Q355 K373Q355-Q357 PolarHBondContact O-N 3.12Å; Q357-K373 VanDerWaalsContact CD-NZ 3.29Å
358S47.8Very low65.2Low21 Ų2170.8 Ų70.815%0.14741%0.41CS..  trans-152.475.9-171.9-176.60000110.6Q355 H360 F366Q355-S358 PolarHBondContact O-N 2.88Å; Q355-S358 VanDerWaalsContact O-N 3.11Å; S358-H360 PolarHBondContact O-N 3.29Å; S358-F366 VanDerWaalsContact CB-CE2 3.44Å; S358-F366 WeakPolarHBondContact OG-CE2 3.49Å
359S49.4Very low63Low108 Ų10871 Ų7176%0.75541%0.412SS*.SBendtrans-68.5-10.6-178.745.40000114.5
360H51Low61.1Low184 Ų18470.6 Ų70.685%0.85240%0.403SS*.SBendtrans-154.127.5179.7-76-59.9000117.4S358S358-H360 PolarHBondContact O-N 3.29Å
361Q50.8Low59.5Low78 Ų7875.1 Ų75.136%0.36442%0.42SS..  trans-117.7146.5-177.3-64.9-172.1-8.400116R365Q361-R365 HydrophobicContact CB-CB 4.47Å
362P52.1Low57.9Low88 Ų8880.2 Ų80.257%0.57144%0.443SS*.  trans-58.7152.2177.4-21.331.1000114S364 R365 F366P362-S364 PolarHBondContact O-N 3.32Å; P362-S364 VanDerWaalsContact O-N 3.13Å; P362-R365 PolarHBondContact O-N 3.28Å; P362-F366 PolarHBondContact O-N 2.57Å
363L53Low56.9Low36 Ų3682 Ų8219%0.18845%0.447CS..Hα-helixtrans-57.8-27.4-176.8-143.588.7000114.3N284 E287 L288 H298 R365 F366N284-L363 HydrophobicContact CB-CD1 4.24Å; E287-L363 HydrophobicContact CB-CD2 4.21Å; E287-L363 HydrophobicContact CG-CD2 4.14Å; L288-L363 HydrophobicContact CD1-CD1 4.13Å; L288-L363 HydrophobicContact CD1-CD2 4.36Å; L288-L363 HydrophobicContact CD1-CG 4.14Å; L288-L363 HydrophobicContact CD2-CD2 4.05Å; L288-L363 HydrophobicContact CD2-CG 3.93Å; L288-L363 HydrophobicContact CG-CD1 4.49Å; L288-L363 HydrophobicContact CG-CD2 3.84Å; L288-L363 HydrophobicContact CG-CG 4Å; H298-L363 HydrophobicContact CB-CD2 4.48Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 2.98Å; L363-F366 WeakPolarHBondContact O-CB 3.26Å; L363-F366 PolarHBondContact O-N 3.2Å
364S53.5Low56.5Low97 Ų9784.9 Ų84.968%0.67845%0.454SS*.Hα-helixtrans-64.7-34.7175.455.90000112.6P362 S367P362-S364 PolarHBondContact O-N 3.32Å; P362-S364 VanDerWaalsContact O-N 3.13Å; S364-S367 PolarHBondContact O-OG 3.02Å
365R48.1Very low56.6Low144 Ų14491.1 Ų91.154%0.54348%0.477SS..Hα-helixtrans-75.3-25.2174.3-106.9-171.6-169.2164.21.4113.1Q361 P362 L363 S367 A368 L369Q361-R365 HydrophobicContact CB-CB 4.47Å; P362-R365 PolarHBondContact O-N 3.28Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 2.98Å; R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.12Å; R365-A368 WeakPolarHBondContact O-CB 3.32Å; R365-A368 PolarHBondContact O-N 3.16Å; R365-A368 VanDerWaalsContact O-N 3.08Å; R365-L369 PolarHBondContact O-N 3.14Å
366F50.6Low57Low21 Ų2194.4 Ų94.49%0.09249%0.49CS..Hα-helixtrans-56-45177.7-118.2-84.3000112.6L288 L354 S358 P362 L363 A368 L369 Y370L288-F366 HydrophobicContact CD1-CD1 4.46Å; L288-F366 HydrophobicContact CD2-CB 4.11Å; L354-F366 VanDerWaalsContact C-CZ 3.47Å; L354-F366 HydrophobicContact CB-CD1 4.42Å; L354-F366 HydrophobicContact CB-CE1 3.64Å; L354-F366 HydrophobicContact CB-CZ 4.37Å; L354-F366 HydrophobicContact CD2-CD1 4.32Å; L354-F366 HydrophobicContact CD2-CE1 4.27Å; L354-F366 WeakPolarHBondContact O-CE1 3.16Å; L354-F366 WeakPolarHBondContact O-CZ 3.38Å; S358-F366 VanDerWaalsContact CB-CE2 3.44Å; S358-F366 WeakPolarHBondContact OG-CE2 3.49Å; P362-F366 PolarHBondContact O-N 2.57Å; L363-F366 WeakPolarHBondContact O-CB 3.26Å; L363-F366 PolarHBondContact O-N 3.2Å; F366-A368 VanDerWaalsContact C-N 3.28Å; F366-A368 PolarHBondContact O-N 3.22Å; F366-L369 PolarHBondContact O-N 3.49Å; F366-Y370 HydrophobicContact CD1-CE2 4.39Å; F366-Y370 HydrophobicContact CE1-CE2 4.39Å; F366-Y370 PolarHBondContact O-N 3.24Å
367S54Low57.8Low59 Ų5997.6 Ų97.641%0.41349%0.49SS..Hα-helixtrans-66.3-29.7177.775.30000113.1S364 R365 K371S364-S367 PolarHBondContact O-OG 3.02Å; R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.12Å; S367-K371 WeakPolarHBondContact O-CG 3.46Å
368A54.6Low59.3Low42 Ų42103 Ų10335%0.34751%0.512SS..Hα-helixtrans-75.1-45.117800000111.3R365 F366 Y370 K371 E372R365-A368 WeakPolarHBondContact O-CB 3.32Å; R365-A368 PolarHBondContact O-N 3.16Å; R365-A368 VanDerWaalsContact O-N 3.08Å; F366-A368 VanDerWaalsContact C-N 3.28Å; F366-A368 PolarHBondContact O-N 3.22Å; A368-Y370 VanDerWaalsContact C-N 3.28Å; A368-Y370 PolarHBondContact O-N 3.27Å; A368-K371 PolarHBondContact O-N 3.3Å; A368-K371 VanDerWaalsContact O-N 3.08Å; A368-E372 WeakPolarHBondContact O-CG 3.46Å; A368-E372 PolarHBondContact O-N 2.99Å; A368-E372 VanDerWaalsContact O-N 3.1Å
369L50.4Low60.6Low47 Ų47109.1 Ų109.125%0.24654%0.542CS..Hα-helixtrans-62.3-31.8-177-138.1132.6000113.2R365 F366R365-L369 PolarHBondContact O-N 3.14Å; F366-L369 PolarHBondContact O-N 3.49Å
370Y55.1Low62Low73 Ų73114.8 Ų114.829%0.28655%0.547SS..Hα-helixtrans-76.7-36.3174.1-92.6-93.3000113.4A353 L354 F366 A368 E372 K373A353-Y370 PolarHBondContact O-OH 2.94Å; L354-Y370 WeakPolarHBondContact CA-OH 3.36Å; L354-Y370 HydrophobicContact CD2-CD2 4.28Å; L354-Y370 HydrophobicContact CD2-CE2 3.63Å; F366-Y370 HydrophobicContact CD1-CE2 4.39Å; F366-Y370 HydrophobicContact CE1-CE2 4.39Å; F366-Y370 PolarHBondContact O-N 3.24Å; A368-Y370 VanDerWaalsContact C-N 3.28Å; A368-Y370 PolarHBondContact O-N 3.27Å; Y370-E372 PolarHBondContact O-N 3.25Å; Y370-K373 PolarHBondContact O-N 3.22Å
371K58.4Low62.2Low151 Ų151110.4 Ų110.466%0.65753%0.534SS*.Hα-helixtrans-64.6-31175.1-72.7174.5-177.71780111.2S367 A368 K373 I374S367-K371 WeakPolarHBondContact O-CG 3.46Å; A368-K371 PolarHBondContact O-N 3.3Å; A368-K371 VanDerWaalsContact O-N 3.08Å; K371-K373 PolarHBondContact O-N 3.1Å; K371-K373 VanDerWaalsContact O-N 3.12Å; K371-I374 PolarHBondContact O-N 3.19Å
372E57.7Low62.7Low115 Ų115116.8 Ų116.854%0.53756%0.561SS.*THydrogen-bonded Turntrans-64.3-6.7174.1-71.1173.4-167.900114.8A368 Y370 Y375A368-E372 WeakPolarHBondContact O-CG 3.46Å; A368-E372 PolarHBondContact O-N 2.99Å; A368-E372 VanDerWaalsContact O-N 3.1Å; Y370-E372 PolarHBondContact O-N 3.25Å; E372-Y375 WeakPolarHBondContact O-CE2 3.49Å; E372-Y375 PolarHBondContact O-OH 3.48Å
373K68.8Low63.1Low132 Ų132121.4 Ų121.457%0.57457%0.572SS**THydrogen-bonded Turntrans-103.6-11.8173.7-72-177.9177.5173.30114Q357 Y370 K371Q357-K373 VanDerWaalsContact CD-NZ 3.29Å; Y370-K373 PolarHBondContact O-N 3.22Å; K371-K373 PolarHBondContact O-N 3.1Å; K371-K373 VanDerWaalsContact O-N 3.12Å
374I74.5Confident63.6Low114 Ų114123.5 Ų123.559%0.58560%0.602SS**  trans-113.995.8-179.2-57.1176.4000107.6K371 F376K371-I374 PolarHBondContact O-N 3.19Å; I374-F376 HydrophobicContact CG2-CE2 4.03Å; I374-F376 HydrophobicContact CG2-CZ 3.97Å
375Y76.2Confident63.6Low158 Ų158127.5 Ų127.562%0.6264%0.641SS**  trans-97.8127.2176.6-61.8-85.4000110.7E372 D377E372-Y375 WeakPolarHBondContact O-CE2 3.49Å; E372-Y375 PolarHBondContact O-OH 3.48Å; Y375-D377 WeakPolarHBondContact CB-OD1 3.4Å; Y375-D377 PolarHBondContact O-N 2.98Å
376F81.1Confident64.3Low163 Ų163126.7 Ų126.772%0.71565%0.646SS**  trans-92.474.5172.5-62.1-83.1000109.4I374 K378 I379I374-F376 HydrophobicContact CG2-CE2 4.03Å; I374-F376 HydrophobicContact CG2-CZ 3.97Å; F376-K378 VanDerWaalsContact C-N 3.33Å; F376-K378 PolarHBondContact O-N 3.26Å; F376-I379 HydrophobicContact CB-CD1 4.07Å; F376-I379 HydrophobicContact CB-CG1 4.21Å
377D76Confident65.1Low140 Ų140132.2 Ų132.275%0.74968%0.675SS**  trans-73.1-19.4-170.2-72.6-22.2000114.9Y375Y375-D377 WeakPolarHBondContact CB-OD1 3.4Å; Y375-D377 PolarHBondContact O-N 2.98Å
378K82.8Confident65.7Low191 Ų191136.3 Ų136.383%0.8369%0.69SS**  trans-132.167.5-170.3-64.9-178.2-176.8174.40112.3F376 R380F376-K378 VanDerWaalsContact C-N 3.33Å; F376-K378 PolarHBondContact O-N 3.26Å; K378-R380 PolarHBondContact O-N 3.38Å
379I73.9Confident66.3Low151 Ų151141.8 Ų141.877%0.77471%0.71SS**  trans-86.997.4170.6-53173.5000108.1F376F376-I379 HydrophobicContact CB-CD1 4.07Å; F376-I379 HydrophobicContact CB-CG1 4.21Å
380R79.3Confident67.3Low227 Ų227147.8 Ų147.886%0.85774%0.739SS**  trans-137.1143.9177.4-65.8-168.5-179.5-167.90.9111.7K378K378-R380 PolarHBondContact O-N 3.38Å
381P55.1Low68.2Low91 Ų91152.7 Ų152.759%0.59177%0.769SS**  cis-116.4154.3-15.216.56.5000114F383P381-F383 HydrophobicContact CB-CE2 4.43Å; P381-F383 HydrophobicContact CG-CD2 4.25Å; P381-F383 HydrophobicContact CG-CE2 3.65Å; P381-F383 HydrophobicContact CG-CZ 3.96Å; P381-F383 PolarHBondContact O-N 2.72Å
382K62.4Low68.9Low213 Ų213152.9 Ų152.993%0.92678%0.777SS**  trans-75.6110.2157.4-75.1-176.4176-177.90107.7
383F60.4Low69.7Low185 Ų185155.8 Ų155.881%0.81180%0.796SS**  trans-85123.5167.2-75-81.1000109.1P381P381-F383 HydrophobicContact CB-CE2 4.43Å; P381-F383 HydrophobicContact CG-CD2 4.25Å; P381-F383 HydrophobicContact CG-CE2 3.65Å; P381-F383 HydrophobicContact CG-CZ 3.96Å; P381-F383 PolarHBondContact O-N 2.72Å
384G63.5Low69.8Low79 Ų79157.8 Ų157.881%0.81481%0.814SS**  trans80.298.7169.200000115.2
385A52.3Low69.4Low181 Ų181161.7 Ų161.7100%1.49684%0.835SS**  trans-103.30146.600000107.2

Retrieved 385 of 385 residues in 422.4 ms (Link to these results)

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