A0A077YVW6_TRITR Loading...

Phosphatidylinositol

AlphaFold DB , UniProt , Accession A0A077YVW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M40.5Very low46.3Very low244 Ų244177.8 Ų177.8100%1.20286%0.858SS**  0101.80-91.7167.8147.400108.7M3M1-M3 PolarHBondContact O-N 3.32Å
2S45.2Very low46.9Very low120 Ų120172.6 Ų172.684%0.83984%0.836SS**  trans-73.2115177.763.50000109.4C4S2-C4 PolarHBondContact O-N 3.47Å
3M41.2Very low48.3Very low192 Ų192163 Ų16395%0.94680%0.798SS**  trans-65.697.5169.1-84.5-176.3177.900108.9M1 R5M1-M3 PolarHBondContact O-N 3.32Å; M3-R5 PolarHBondContact O-N 3.33Å
4C44.9Very low49.2Very low113 Ų113159.8 Ų159.876%0.76480%0.798SS**  trans-60.899.7167.2-169.90000107.5S2 R6S2-C4 PolarHBondContact O-N 3.47Å; C4-R6 VanDerWaalsContact C-N 3.34Å; C4-R6 PolarHBondContact O-N 2.9Å
5R45.5Very low50.4Low231 Ų231159.5 Ų159.587%0.87279%0.793SS**  trans-60.9100.5171-99.6-176.2-174.7177.63.1106.9M3 T7M3-R5 PolarHBondContact O-N 3.33Å; R5-T7 VanDerWaalsContact C-N 3.32Å; R5-T7 PolarHBondContact O-N 3.33Å
6R44.6Very low51.4Low217 Ų217153.8 Ų153.882%0.81977%0.766SS**  trans-55.898.5164.9-81.7179.6171.9175.8-2.2107.6C4 H8C4-R6 VanDerWaalsContact C-N 3.34Å; C4-R6 PolarHBondContact O-N 2.9Å; R6-H8 VanDerWaalsContact C-N 3.25Å; R6-H8 PolarHBondContact O-N 3.03Å
7T46.7Very low52.3Low120 Ų120148.4 Ų148.474%0.73675%0.751SS**  trans-66.494.5162.946.70000106R5 T9R5-T7 VanDerWaalsContact C-N 3.32Å; R5-T7 PolarHBondContact O-N 3.33Å; T7-T9 PolarHBondContact O-N 3.36Å
8H46.9Very low53.6Low163 Ų163147.1 Ų147.176%0.75575%0.746SS**  trans-60.192.3165.9-91.3-89.8000107.5R6 K10R6-H8 VanDerWaalsContact C-N 3.25Å; R6-H8 PolarHBondContact O-N 3.03Å; H8-K10 PolarHBondContact O-N 3.37Å
9T47Very low55.1Low126 Ų126145.2 Ų145.277%0.77374%0.737SS**  trans-67.985.3159.339.10000106.2T7 R11T7-T9 PolarHBondContact O-N 3.36Å; T9-R11 PolarHBondContact O-N 2.91Å
10K53.7Low56.5Low187 Ų187141.8 Ų141.881%0.81372%0.715SS**  trans-52.8111.3166.3-104.4-176.7172.2-173.40106.4H8 L12H8-K10 PolarHBondContact O-N 3.37Å; K10-L12 PolarHBondContact O-N 3.28Å; K10-L12 VanDerWaalsContact O-N 3.09Å
11R53.1Low57.8Low243 Ų243138.9 Ų138.992%0.91770%0.698SS**  trans-59.7111.5168-71.8-177.8-177.3-175.10.1106T9 S13T9-R11 PolarHBondContact O-N 2.91Å; R11-S13 PolarHBondContact O-N 3.47Å
12L53.3Low59.5Low115 Ų115134.8 Ų134.860%0.60267%0.669SS**  trans-59.6132.6171.7-79.7106.2000108K10 D16K10-L12 PolarHBondContact O-N 3.28Å; K10-L12 VanDerWaalsContact O-N 3.09Å; L12-D16 HydrophobicContact CB-CB 4.46Å; L12-D16 HydrophobicContact CD2-CB 4.11Å
13S65Low61.3Low48 Ų48131.7 Ų131.734%0.33664%0.642SS.*  trans-66.2154.5171.9730000109.3R11 E15 D16 A17R11-S13 PolarHBondContact O-N 3.47Å; S13-E15 PolarHBondContact O-N 3.08Å; S13-D16 PolarHBondContact N-OD2 2.89Å; S13-D16 PolarHBondContact O-N 3.38Å; S13-D16 VanDerWaalsContact O-N 3.12Å; S13-D16 WeakPolarHBondContact OG-CB 3.37Å; S13-D16 PolarHBondContact OG-N 2.9Å; S13-D16 PolarHBondContact OG-OD1 3.38Å; S13-D16 PolarHBondContact OG-OD2 3.42Å; S13-D16 VanDerWaalsContact OG-OD2 3.14Å; S13-A17 PolarHBondContact O-N 3.22Å
14C61.9Low63.2Low118 Ų118131.2 Ų131.280%0.79764%0.642SS**Hα-helixtrans-58-30.3172.5-87.80000112A17C14-A17 PolarHBondContact O-N 3.18Å
15E66Low65.1Low156 Ų156135.3 Ų135.373%0.72964%0.643SS**Hα-helixtrans-66.8-41175.5-64.9179.8162.800111.4S13 A17 L18 L19S13-E15 PolarHBondContact O-N 3.08Å; E15-A17 PolarHBondContact O-N 2.74Å; E15-L18 PolarHBondContact O-N 3.21Å; E15-L18 VanDerWaalsContact O-N 3.11Å; E15-L19 PolarHBondContact O-N 2.99Å
16D66.9Low66.9Low68 Ų68126.1 Ų126.136%0.36462%0.617SS.*Hα-helixtrans-65.5-19.1177.3-66.6-27.2000113.6L12 S13 K21L12-D16 HydrophobicContact CB-CB 4.46Å; L12-D16 HydrophobicContact CD2-CB 4.11Å; S13-D16 PolarHBondContact N-OD2 2.89Å; S13-D16 PolarHBondContact O-N 3.38Å; S13-D16 VanDerWaalsContact O-N 3.12Å; S13-D16 WeakPolarHBondContact OG-CB 3.37Å; S13-D16 PolarHBondContact OG-N 2.9Å; S13-D16 PolarHBondContact OG-OD1 3.38Å; S13-D16 PolarHBondContact OG-OD2 3.42Å; S13-D16 VanDerWaalsContact OG-OD2 3.14Å; D16-K21 PolarHBondContact O-NZ 2.81Å; D16-K21 VanDerWaalsContact O-NZ 3.08Å
17A67.3Low68.8Low61 Ų61126.2 Ų126.250%0.50462%0.623SS.*Hα-helixtrans-81.6-21.5177.300000112.6S13 C14 E15S13-A17 PolarHBondContact O-N 3.22Å; C14-A17 PolarHBondContact O-N 3.18Å; E15-A17 PolarHBondContact O-N 2.74Å
18L75.6Confident70.6Confident126 Ų126122.7 Ų122.766%0.6660%0.599SS**Hα-helixtrans-91.2-12.2175.9-64.8176.4000112.8E15 F30E15-L18 PolarHBondContact O-N 3.21Å; E15-L18 VanDerWaalsContact O-N 3.11Å; L18-F30 VanDerWaalsContact O-CZ 3.23Å; L18-F30 WeakPolarHBondContact O-CZ 3.47Å
19L81.4Confident72.5Confident111 Ų111119.5 Ų119.558%0.58159%0.592SS**SBendtrans-77.9123173.8-71.1170.8000110.4E15E15-L19 PolarHBondContact O-N 2.99Å
20W83.9Confident74.4Confident77 Ų77116 Ų11629%0.29257%0.566SS.*  trans-59.6139.9173.7-179.786.1000110.8R22 F30 Y34 E38W20-R22 HydrophobicContact CH2-CB 3.7Å; W20-R22 HydrophobicContact CH2-CG 3.98Å; W20-R22 HydrophobicContact CZ2-CB 4.42Å; W20-R22 HydrophobicContact CZ3-CB 3.97Å; W20-F30 VanDerWaalsContact CA-CE2 3.5Å; W20-F30 HydrophobicContact CB-CD2 3.92Å; W20-F30 HydrophobicContact CB-CE1 4.31Å; W20-F30 HydrophobicContact CB-CE2 3.56Å; W20-F30 HydrophobicContact CB-CG 4.43Å; W20-F30 HydrophobicContact CB-CZ 3.77Å; W20-F30 AromaticContact CD1-CD2 3.58Å; W20-F30 AromaticContact CD1-CG 3.75Å; W20-F30 HydrophobicContact CG-CD2 4.16Å; W20-F30 HydrophobicContact CG-CE2 4.3Å; W20-F30 HydrophobicContact CG-CG 4.48Å; W20-Y34 HydrophobicContact CB-CD1 4.31Å; W20-Y34 HydrophobicContact CB-CE1 3.79Å; W20-Y34 AromaticContact CD1-CD1 3.39Å; W20-Y34 AromaticContact CD1-CE1 3.78Å; W20-Y34 HydrophobicContact CD2-CD1 4.16Å; W20-Y34 HydrophobicContact CD2-CE1 4.2Å; W20-Y34 AromaticContact CG-CD1 3.71Å; W20-Y34 HydrophobicContact CG-CD1 3.71Å; W20-Y34 AromaticContact CG-CE1 3.64Å; W20-Y34 HydrophobicContact CG-CE1 3.64Å; W20-Y34 AromaticContact NE1-CD1 3.64Å; W20-E38 HydrophobicContact CZ3-CG 4.44Å; W20-E38 VanDerWaalsContact CZ3-OE1 3.31Å; W20-E38 WeakPolarHBondContact CZ3-OE1 3.29Å
21K82.9Confident76Confident81 Ų81110.8 Ų110.835%0.35255%0.552SS.*  trans-129138.6178.4-69.1172.3-173160.50109.9D16 I23 Q28D16-K21 PolarHBondContact O-NZ 2.81Å; D16-K21 VanDerWaalsContact O-NZ 3.08Å; K21-I23 HydrophobicContact CB-CD1 4.19Å; K21-I23 HydrophobicContact CB-CG1 3.97Å; K21-I23 PolarHBondContact O-N 3.27Å; K21-Q28 PolarHBondContact O-NE2 3.19Å; K21-Q28 PolarHBondContact O-OE1 3.3Å
22R76Confident77.4Confident157 Ų157107.8 Ų107.859%0.59255%0.554SS**SBendtrans-77.366.3176.3-166.1178.2174.7-172.9-4.5111.9W20W20-R22 HydrophobicContact CH2-CB 3.7Å; W20-R22 HydrophobicContact CH2-CG 3.98Å; W20-R22 HydrophobicContact CZ2-CB 4.42Å; W20-R22 HydrophobicContact CZ3-CB 3.97Å
23I83.8Confident78.8Confident56 Ų56109.1 Ų109.129%0.28756%0.562SS.*  trans-134.313017755.3177.8000109.3K21 Y25 A26 Q28K21-I23 HydrophobicContact CB-CD1 4.19Å; K21-I23 HydrophobicContact CB-CG1 3.97Å; K21-I23 PolarHBondContact O-N 3.27Å; I23-Y25 HydrophobicContact CB-CD1 3.99Å; I23-Y25 HydrophobicContact CB-CE1 3.53Å; I23-Y25 HydrophobicContact CD1-CE1 4.38Å; I23-Y25 HydrophobicContact CD1-CE2 4.02Å; I23-Y25 HydrophobicContact CG1-CE1 4.48Å; I23-Y25 HydrophobicContact CG2-CD1 4.42Å; I23-Y25 HydrophobicContact CG2-CE1 3.54Å; I23-A26 HydrophobicContact CD1-CB 3.71Å; I23-A26 HydrophobicContact CG1-CB 4.26Å; I23-Q28 VanDerWaalsContact CG1-NE2 3.25Å; I23-Q28 PolarHBondContact O-NE2 3.41Å
24L80.9Confident79.8Confident181 Ų181111 Ų11195%0.94856%0.562SS**SBendtrans-85.7-23.7-179-166.167.8000112.7A26L24-A26 PolarHBondContact O-N 3.03Å
25Y85.3Confident80.6Confident199 Ų199109 Ų10978%0.7855%0.549SS*.SBendtrans-81-10.7-171.262.3-98.7000114.7I23I23-Y25 HydrophobicContact CB-CD1 3.99Å; I23-Y25 HydrophobicContact CB-CE1 3.53Å; I23-Y25 HydrophobicContact CD1-CE1 4.38Å; I23-Y25 HydrophobicContact CD1-CE2 4.02Å; I23-Y25 HydrophobicContact CG1-CE1 4.48Å; I23-Y25 HydrophobicContact CG2-CD1 4.42Å; I23-Y25 HydrophobicContact CG2-CE1 3.54Å
26A83.8Confident81.5Confident39 Ų39101.9 Ų101.932%0.32252%0.517SS..SBendtrans-119.5131.9-177.700000110.3I23 L24I23-A26 HydrophobicContact CD1-CB 3.71Å; I23-A26 HydrophobicContact CG1-CB 4.26Å; L24-A26 PolarHBondContact O-N 3.03Å
27K82.7Confident82.2Confident218 Ų218104 Ų10495%0.94854%0.535SS*.  trans-69131.5176.4-166.6173.8-175.4177.10110.1
28Q86.5Confident82.8Confident47 Ų47104.2 Ų104.222%0.2253%0.525CS..  trans-126.4157.7-178.1-65.9179.839.100110.4K21 I23 F30K21-Q28 PolarHBondContact O-NE2 3.19Å; K21-Q28 PolarHBondContact O-OE1 3.3Å; I23-Q28 VanDerWaalsContact CG1-NE2 3.25Å; I23-Q28 PolarHBondContact O-NE2 3.41Å; Q28-F30 HydrophobicContact CB-CD2 4.13Å; Q28-F30 PolarHBondContact O-N 3.01Å
29P86.6Confident83.1Confident95 Ų95101.6 Ų101.662%0.61751%0.508SS*.SBendtrans-78.822.3-176.934.3-37.5000114
30F86.9Confident83.1Confident52 Ų52101.1 Ų101.123%0.22850%0.504CS..SBendtrans-111.6148.6-177.6-62.9-83.1000110.1L18 W20 Q28 Y34L18-F30 VanDerWaalsContact O-CZ 3.23Å; L18-F30 WeakPolarHBondContact O-CZ 3.47Å; W20-F30 VanDerWaalsContact CA-CE2 3.5Å; W20-F30 HydrophobicContact CB-CD2 3.92Å; W20-F30 HydrophobicContact CB-CE1 4.31Å; W20-F30 HydrophobicContact CB-CE2 3.56Å; W20-F30 HydrophobicContact CB-CG 4.43Å; W20-F30 HydrophobicContact CB-CZ 3.77Å; W20-F30 AromaticContact CD1-CD2 3.58Å; W20-F30 AromaticContact CD1-CG 3.75Å; W20-F30 HydrophobicContact CG-CD2 4.16Å; W20-F30 HydrophobicContact CG-CE2 4.3Å; W20-F30 HydrophobicContact CG-CG 4.48Å; Q28-F30 HydrophobicContact CB-CD2 4.13Å; Q28-F30 PolarHBondContact O-N 3.01Å; F30-Y34 HydrophobicContact CB-CD1 4.2Å; F30-Y34 HydrophobicContact CB-CD2 4.39Å; F30-Y34 HydrophobicContact CB-CG 3.9Å; F30-Y34 AromaticContact CD1-CD1 3.89Å; F30-Y34 HydrophobicContact CD1-CD1 3.89Å; F30-Y34 AromaticContact CD1-CD2 3.67Å; F30-Y34 HydrophobicContact CD1-CD2 3.67Å; F30-Y34 AromaticContact CD1-CE1 3.83Å; F30-Y34 HydrophobicContact CD1-CE1 3.83Å; F30-Y34 AromaticContact CD1-CE2 3.62Å; F30-Y34 HydrophobicContact CD1-CE2 3.62Å; F30-Y34 AromaticContact CD1-CG 3.8Å; F30-Y34 HydrophobicContact CD1-CG 3.8Å; F30-Y34 AromaticContact CD1-CZ 3.69Å; F30-Y34 HydrophobicContact CE1-CD2 4.45Å; F30-Y34 HydrophobicContact CE1-CE1 4.03Å; F30-Y34 AromaticContact CE1-CE2 3.94Å; F30-Y34 HydrophobicContact CE1-CE2 3.94Å; F30-Y34 AromaticContact CE1-CZ 3.7Å; F30-Y34 HydrophobicContact CG-CD1 4.13Å; F30-Y34 HydrophobicContact CG-CD2 4.42Å; F30-Y34 HydrophobicContact CG-CE1 4.38Å; F30-Y34 HydrophobicContact CG-CG 4.13Å
31P87.4Confident83.1Confident79 Ų79105.2 Ų105.251%0.51353%0.526SS..  trans-65154.1173.728.7-34.7000111N33 Y34P31-N33 PolarHBondContact O-N 3.29Å; P31-N33 VanDerWaalsContact O-N 3.09Å; P31-Y34 WeakPolarHBondContact O-CB 3.22Å; P31-Y34 PolarHBondContact O-N 3.35Å
32D81.2Confident83Confident180 Ų180105.2 Ų105.296%0.96353%0.527SS*.THydrogen-bonded Turntrans-59.1-25.8-176.6-70.9-8.7000113.5
33N83.7Confident83.5Confident142 Ų142100.4 Ų100.476%0.75951%0.512SS*.THydrogen-bonded Turntrans-97.215.7176.667-14.4000113.8P31 C35P31-N33 PolarHBondContact O-N 3.29Å; P31-N33 VanDerWaalsContact O-N 3.09Å; N33-C35 PolarHBondContact O-N 3.26Å
34Y84.5Confident83.6Confident87 Ų87104.6 Ų104.634%0.34153%0.525SS..  trans-61.3126.8178.3-179.4-100.4000111.5W20 F30 P31W20-Y34 HydrophobicContact CB-CD1 4.31Å; W20-Y34 HydrophobicContact CB-CE1 3.79Å; W20-Y34 AromaticContact CD1-CD1 3.39Å; W20-Y34 AromaticContact CD1-CE1 3.78Å; W20-Y34 HydrophobicContact CD2-CD1 4.16Å; W20-Y34 HydrophobicContact CD2-CE1 4.2Å; W20-Y34 AromaticContact CG-CD1 3.71Å; W20-Y34 HydrophobicContact CG-CD1 3.71Å; W20-Y34 AromaticContact CG-CE1 3.64Å; W20-Y34 HydrophobicContact CG-CE1 3.64Å; W20-Y34 AromaticContact NE1-CD1 3.64Å; F30-Y34 HydrophobicContact CB-CD1 4.2Å; F30-Y34 HydrophobicContact CB-CD2 4.39Å; F30-Y34 HydrophobicContact CB-CG 3.9Å; F30-Y34 AromaticContact CD1-CD1 3.89Å; F30-Y34 HydrophobicContact CD1-CD1 3.89Å; F30-Y34 AromaticContact CD1-CD2 3.67Å; F30-Y34 HydrophobicContact CD1-CD2 3.67Å; F30-Y34 AromaticContact CD1-CE1 3.83Å; F30-Y34 HydrophobicContact CD1-CE1 3.83Å; F30-Y34 AromaticContact CD1-CE2 3.62Å; F30-Y34 HydrophobicContact CD1-CE2 3.62Å; F30-Y34 AromaticContact CD1-CG 3.8Å; F30-Y34 HydrophobicContact CD1-CG 3.8Å; F30-Y34 AromaticContact CD1-CZ 3.69Å; F30-Y34 HydrophobicContact CE1-CD2 4.45Å; F30-Y34 HydrophobicContact CE1-CE1 4.03Å; F30-Y34 AromaticContact CE1-CE2 3.94Å; F30-Y34 HydrophobicContact CE1-CE2 3.94Å; F30-Y34 AromaticContact CE1-CZ 3.7Å; F30-Y34 HydrophobicContact CG-CD1 4.13Å; F30-Y34 HydrophobicContact CG-CD2 4.42Å; F30-Y34 HydrophobicContact CG-CE1 4.38Å; F30-Y34 HydrophobicContact CG-CG 4.13Å; P31-Y34 WeakPolarHBondContact O-CB 3.22Å; P31-Y34 PolarHBondContact O-N 3.35Å
35C80.5Confident83.8Confident77 Ų77103.3 Ų103.352%0.5251%0.512SS..  trans-115.6105.7177.9-171.40000109.2N33 F39N33-C35 PolarHBondContact O-N 3.26Å; C35-F39 WeakPolarHBondContact SG-CB 3.49Å; C35-F39 WeakPolarHBondContact SG-CD1 3.19Å; C35-F39 WeakPolarHBondContact SG-CG 3.35Å
36G83.4Confident83.6Confident6 Ų697.4 Ų97.46%0.06249%0.493CS..  trans-72.4159.8178.900000113E38 F39G36-E38 PolarHBondContact O-N 3.47Å; G36-F39 WeakPolarHBondContact O-CB 3.34Å; G36-F39 PolarHBondContact O-N 2.89Å
37P81.5Confident83.4Confident114 Ų11498.8 Ų98.874%0.7449%0.493SS*.G310 helixtrans-60.4-26.3177.625.6-33.7000113.1F39P37-F39 PolarHBondContact O-N 3.27Å
38E81.1Confident83.2Confident64 Ų6495.3 Ų95.330%0.29949%0.485SS..G310 helixtrans-69.9-10.3173.962.3-83.2-176.600114.4W20 G36 M40 H41 F42W20-E38 HydrophobicContact CZ3-CG 4.44Å; W20-E38 VanDerWaalsContact CZ3-OE1 3.31Å; W20-E38 WeakPolarHBondContact CZ3-OE1 3.29Å; G36-E38 PolarHBondContact O-N 3.47Å; E38-M40 PolarHBondContact O-N 2.84Å; E38-H41 WeakPolarHBondContact O-CA 3.48Å; E38-H41 WeakPolarHBondContact O-CB 3.41Å; E38-H41 PolarHBondContact O-N 3.5Å; E38-F42 HydrophobicContact CB-CE2 4.25Å; E38-F42 HydrophobicContact CG-CE2 4.05Å; E38-F42 WeakPolarHBondContact O-CD2 3.49Å; E38-F42 WeakPolarHBondContact O-CE2 3.36Å
39F81.3Confident82.8Confident71 Ų7195.4 Ų95.431%0.31149%0.486SS..G310 helixtrans-53.6-43.5-179.6178.6-117.7000112.1C35 G36 P37 H41 F42 P288 W289C35-F39 WeakPolarHBondContact SG-CB 3.49Å; C35-F39 WeakPolarHBondContact SG-CD1 3.19Å; C35-F39 WeakPolarHBondContact SG-CG 3.35Å; G36-F39 WeakPolarHBondContact O-CB 3.34Å; G36-F39 PolarHBondContact O-N 2.89Å; P37-F39 PolarHBondContact O-N 3.27Å; F39-H41 VanDerWaalsContact C-N 3.31Å; F39-H41 PolarHBondContact O-N 3Å; F39-F42 PolarHBondContact O-N 2.87Å; F39-P288 HydrophobicContact CD2-CG 4.39Å; F39-P288 HydrophobicContact CE2-CB 4.29Å; F39-P288 HydrophobicContact CE2-CG 4.4Å; F39-W289 HydrophobicContact CD1-CZ3 4.35Å; F39-W289 HydrophobicContact CD2-CE3 4.45Å; F39-W289 HydrophobicContact CD2-CZ3 4.41Å; F39-W289 AromaticContact CE1-CE3 3.87Å; F39-W289 HydrophobicContact CE1-CE3 3.87Å; F39-W289 HydrophobicContact CE1-CH2 4.46Å; F39-W289 AromaticContact CE1-CZ3 3.61Å; F39-W289 HydrophobicContact CE1-CZ3 3.61Å; F39-W289 AromaticContact CE2-CE3 3.41Å; F39-W289 HydrophobicContact CE2-CE3 3.41Å; F39-W289 VanDerWaalsContact CE2-CE3 3.41Å; F39-W289 AromaticContact CE2-CZ3 3.72Å; F39-W289 HydrophobicContact CE2-CZ3 3.72Å; F39-W289 HydrophobicContact CZ-CD2 4Å; F39-W289 AromaticContact CZ-CE3 3.04Å; F39-W289 HydrophobicContact CZ-CE3 3.04Å; F39-W289 HydrophobicContact CZ-CH2 4.38Å; F39-W289 AromaticContact CZ-CZ3 3.26Å; F39-W289 HydrophobicContact CZ-CZ3 3.26Å
40M81.5Confident82.6Confident101 Ų10197.1 Ų97.150%0.49848%0.484SS..G310 helixtrans-77.2-16.6178.6-61.6-6671.600114E38 F42 L43 W289E38-M40 PolarHBondContact O-N 2.84Å; M40-F42 PolarHBondContact O-N 3.47Å; M40-L43 VanDerWaalsContact O-CB 3.27Å; M40-L43 WeakPolarHBondContact O-CB 3.19Å; M40-L43 PolarHBondContact O-N 2.98Å; M40-W289 HydrophobicContact CE-CH2 3.56Å; M40-W289 HydrophobicContact CE-CZ3 3.48Å; M40-W289 VanDerWaalsContact CE-CZ3 3.48Å
41H82.9Confident82.7Confident163 Ų163100.3 Ų100.376%0.75550%0.503SS*.G310 helixtrans-66.9-23.7171.8-169.3-107.5000111.8E38 F39 L43E38-H41 WeakPolarHBondContact O-CA 3.48Å; E38-H41 WeakPolarHBondContact O-CB 3.41Å; E38-H41 PolarHBondContact O-N 3.5Å; F39-H41 VanDerWaalsContact C-N 3.31Å; F39-H41 PolarHBondContact O-N 3Å; H41-L43 VanDerWaalsContact C-N 3.35Å
42F81.9Confident82.8Confident81 Ų81101.5 Ų101.536%0.35550%0.497SS..G310 helixtrans-88.41.4175.9-58.9-67.9000114.2E38 F39 M40 R44 P288E38-F42 HydrophobicContact CB-CE2 4.25Å; E38-F42 HydrophobicContact CG-CE2 4.05Å; E38-F42 WeakPolarHBondContact O-CD2 3.49Å; E38-F42 WeakPolarHBondContact O-CE2 3.36Å; F39-F42 PolarHBondContact O-N 2.87Å; M40-F42 PolarHBondContact O-N 3.47Å; F42-R44 PolarHBondContact O-N 2.82Å; F42-P288 HydrophobicContact CB-CG 3.37Å; F42-P288 HydrophobicContact CD2-CG 4.11Å; F42-P288 HydrophobicContact CG-CG 4Å
43L86.3Confident83.3Confident56 Ų5696.6 Ų96.629%0.29347%0.474SS..  trans-67.9115.2174.6-177.5101.4000109.5M40 H41 K45 L285 H286 W289M40-L43 VanDerWaalsContact O-CB 3.27Å; M40-L43 WeakPolarHBondContact O-CB 3.19Å; M40-L43 PolarHBondContact O-N 2.98Å; H41-L43 VanDerWaalsContact C-N 3.35Å; L43-K45 HydrophobicContact CD2-CG 4.41Å; L43-L285 HydrophobicContact CD1-CB 4.3Å; L43-L285 HydrophobicContact CD1-CD2 4Å; L43-L285 HydrophobicContact CD2-CD2 3.83Å; L43-L285 HydrophobicContact CG-CD2 4.08Å; L43-H286 CarbonylContact C-O 3.27Å; L43-H286 WeakPolarHBondContact CA-O 3.23Å; L43-W289 HydrophobicContact CD1-CH2 3.63Å; L43-W289 HydrophobicContact CD1-CZ2 4.01Å
44R85.5Confident83.8Confident144 Ų14494.1 Ų94.154%0.54346%0.456SS..EExtended strand (participates in β ladder)trans-102.9128.3176.2-64.1178.4-176-164.26108.9F42 E47 H286F42-R44 PolarHBondContact O-N 2.82Å; R44-E47 HydrophobicContact CB-CB 4.48Å; R44-E47 WeakPolarHBondContact CD-OE1 3.34Å; R44-E47 WeakPolarHBondContact CD-OE2 3.43Å; R44-E47 IonicContact CZ-OE1 3.75Å; R44-E47 IonicContact NH1-OE1 2.7Å; R44-E47 PolarHBondContact NH1-OE1 2.72Å; R44-E47 IonicContact NH1-OE2 3.71Å; R44-H286 HydrophobicContact CB-CB 4.16Å; R44-H286 PolarHBondContact N-O 2.81Å; R44-H286 PolarHBondContact O-N 2.93Å
45K84.5Confident84.3Confident155 Ų15597.6 Ų97.667%0.67447%0.469SS*.EExtended strand (participates in β ladder)trans-96.3135.9175.7-72.9178-176.3177.10109L43 E47 T284 L285L43-K45 HydrophobicContact CD2-CG 4.41Å; K45-E47 PolarHBondContact O-N 3.27Å; K45-T284 CarbonylContact C-O 3.58Å; K45-T284 WeakPolarHBondContact CA-O 3.34Å; K45-L285 HydrophobicContact CD-CD2 4.29Å; K45-L285 HydrophobicContact CG-CD2 3.59Å
46N82.8Confident84.9Confident74 Ų7498.2 Ų98.240%0.39646%0.464SS..SBendtrans59.930.7168.6-65.5-11.1000114.6I49 R283 T284N46-I49 HydrophobicContact CB-CD1 3.41Å; N46-I49 VanDerWaalsContact CB-CD1 3.41Å; N46-I49 HydrophobicContact CB-CG1 4.11Å; N46-I49 VanDerWaalsContact CG-CD1 3.45Å; N46-R283 WeakPolarHBondContact OD1-CA 3.31Å; N46-T284 WeakPolarHBondContact CA-OG1 3.35Å; N46-T284 PolarHBondContact N-O 3.22Å; N46-T284 PolarHBondContact OD1-N 3.43Å; N46-T284 PolarHBondContact OD1-O 3.15Å
47E78.4Confident85.4Confident68 Ų6898.7 Ų98.732%0.31847%0.468SS..THydrogen-bonded Turntrans-69.6144.2169.8-158.2165.1-149.700109.6R44 K45 I49 H286R44-E47 HydrophobicContact CB-CB 4.48Å; R44-E47 WeakPolarHBondContact CD-OE1 3.34Å; R44-E47 WeakPolarHBondContact CD-OE2 3.43Å; R44-E47 IonicContact CZ-OE1 3.75Å; R44-E47 IonicContact NH1-OE1 2.7Å; R44-E47 PolarHBondContact NH1-OE1 2.72Å; R44-E47 IonicContact NH1-OE2 3.71Å; K45-E47 PolarHBondContact O-N 3.27Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 3.14Å; E47-H286 PolarHBondContact O-NE2 3.19Å
48N78.4Confident86Confident146 Ų14694.7 Ų94.778%0.78144%0.44SS*.THydrogen-bonded Turntrans58.527.8178.6-56-38.5000116.5K50N48-K50 PolarHBondContact O-N 3.49Å; N48-K50 VanDerWaalsContact O-N 3.14Å
49I79Confident86.7Confident48 Ų4893.3 Ų93.325%0.24644%0.436CS..  trans-73110.5173-60.2-173.3000110.4N46 E47 L51N46-I49 HydrophobicContact CB-CD1 3.41Å; N46-I49 VanDerWaalsContact CB-CD1 3.41Å; N46-I49 HydrophobicContact CB-CG1 4.11Å; N46-I49 VanDerWaalsContact CG-CD1 3.45Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 3.14Å; I49-L51 HydrophobicContact CG2-CD2 3.85Å; I49-L51 HydrophobicContact CG2-CG 4.22Å; I49-L51 PolarHBondContact O-N 3.28Å
50K82.5Confident87.2Confident131 Ų13191.8 Ų91.857%0.5744%0.44SS*.  trans-77108.9162.9-173.4174.1-179178.50110N48 W52N48-K50 PolarHBondContact O-N 3.49Å; N48-K50 VanDerWaalsContact O-N 3.14Å; K50-W52 HydrophobicContact CD-CH2 4Å; K50-W52 HydrophobicContact CD-CZ2 3.65Å; K50-W52 VanDerWaalsContact CE-CH2 3.47Å; K50-W52 HydrophobicContact CG-CZ2 4.36Å
51L87.5Confident87.9Confident119 Ų11987.6 Ų87.662%0.62342%0.421SS*.  trans-82.3140.3168.1-63.2174.6000109.2I49 Q279I49-L51 HydrophobicContact CG2-CD2 3.85Å; I49-L51 HydrophobicContact CG2-CG 4.22Å; I49-L51 PolarHBondContact O-N 3.28Å; L51-Q279 HydrophobicContact CD2-CB 4.41Å
52W89.5Confident88.5Confident104 Ų10480.1 Ų80.139%0.39439%0.387SS..  trans-109.7140178.7-56.485000109.8K50 E56 F275 I276 Q279K50-W52 HydrophobicContact CD-CH2 4Å; K50-W52 HydrophobicContact CD-CZ2 3.65Å; K50-W52 VanDerWaalsContact CE-CH2 3.47Å; K50-W52 HydrophobicContact CG-CZ2 4.36Å; W52-E56 HydrophobicContact CE3-CB 4.12Å; W52-F275 HydrophobicContact CB-CE1 4.19Å; W52-F275 AromaticContact CD1-CZ 3.94Å; W52-F275 HydrophobicContact CG-CE1 4.23Å; W52-I276 WeakPolarHBondContact O-CD1 2.91Å; W52-Q279 VanDerWaalsContact N-OE1 3.17Å; W52-Q279 PolarHBondContact O-NE2 3.03Å
53T93.6Very high89.1Confident77 Ų7780 Ų8047%0.47238%0.384SS..  trans-76.6155.9170.563.70000110.6R55 E56 A57T53-R55 PolarHBondContact O-N 3.26Å; T53-E56 WeakPolarHBondContact CB-OE2 3.17Å; T53-E56 PolarHBondContact N-OE2 3.16Å; T53-E56 PolarHBondContact O-N 3.38Å; T53-E56 WeakPolarHBondContact OG1-CG 3.38Å; T53-E56 PolarHBondContact OG1-N 2.96Å; T53-E56 PolarHBondContact OG1-OE2 2.86Å; T53-A57 PolarHBondContact O-N 2.9Å
54F94.2Very high89.5Confident90 Ų9080.2 Ų80.240%0.39539%0.386SS..Hα-helixtrans-55-38.2175.9-179.9-95.9000112.1A57 L58 L269 T272 W273 I276F54-A57 PolarHBondContact O-N 3.45Å; F54-L58 HydrophobicContact CE1-CD2 4.32Å; F54-L58 VanDerWaalsContact O-CB 3.3Å; F54-L58 WeakPolarHBondContact O-CB 3.34Å; F54-L58 PolarHBondContact O-N 2.95Å; F54-L269 HydrophobicContact CZ-CD2 4.31Å; F54-T272 HydrophobicContact CD2-CG2 3.78Å; F54-T272 HydrophobicContact CE2-CG2 3.68Å; F54-T272 HydrophobicContact CG-CG2 4.46Å; F54-T272 HydrophobicContact CZ-CG2 4.3Å; F54-W273 HydrophobicContact CE2-CB 4.2Å; F54-I276 HydrophobicContact CB-CG1 4.34Å; F54-I276 HydrophobicContact CD2-CG1 4.24Å
55R93.5Very high90.1Very high160 Ų16073.6 Ų73.660%0.60436%0.361SS*.Hα-helixtrans-66.6-42.5179.9-173.1179.4177.8-154.9-1.4112.4T53 A57 L58 V59T53-R55 PolarHBondContact O-N 3.26Å; R55-A57 VanDerWaalsContact C-N 3.35Å; R55-L58 PolarHBondContact O-N 3.23Å; R55-V59 WeakPolarHBondContact O-CG2 3.49Å; R55-V59 PolarHBondContact O-N 2.84Å
56E92.9Very high90.6Very high91 Ų9166.2 Ų66.243%0.42533%0.329SS..Hα-helixtrans-65.5-41.7176.6-69.8161.815000111.1W52 T53 L58 V59 G60W52-E56 HydrophobicContact CE3-CB 4.12Å; T53-E56 WeakPolarHBondContact CB-OE2 3.17Å; T53-E56 PolarHBondContact N-OE2 3.16Å; T53-E56 PolarHBondContact O-N 3.38Å; T53-E56 WeakPolarHBondContact OG1-CG 3.38Å; T53-E56 PolarHBondContact OG1-N 2.96Å; T53-E56 PolarHBondContact OG1-OE2 2.86Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.43Å; E56-V59 PolarHBondContact O-N 3.36Å; E56-G60 PolarHBondContact O-N 3.04Å
57A93.6Very high91.3Very high16 Ų1662.9 Ų62.913%0.13231%0.311CS..Hα-helixtrans-65.6-37.4176.800000111.9T53 F54 R55 G60 S61 T272 F275 I276T53-A57 PolarHBondContact O-N 2.9Å; F54-A57 PolarHBondContact O-N 3.45Å; R55-A57 VanDerWaalsContact C-N 3.35Å; A57-G60 WeakPolarHBondContact O-CA 3.47Å; A57-G60 PolarHBondContact O-N 3.33Å; A57-S61 PolarHBondContact O-N 2.95Å; A57-T272 HydrophobicContact CB-CG2 3.5Å; A57-T272 VanDerWaalsContact CB-CG2 3.5Å; A57-F275 HydrophobicContact CB-CD1 4.07Å; A57-F275 HydrophobicContact CB-CE1 4.34Å; A57-I276 HydrophobicContact CB-CD1 4.19Å
58L95.8Very high92.2Very high30 Ų3061.1 Ų61.116%0.15731%0.305CS..Hα-helixtrans-64.8-38.8172.9179.664.5000112.4F54 R55 E56 G60 S61 C62 I235 S268 L269 T272F54-L58 HydrophobicContact CE1-CD2 4.32Å; F54-L58 VanDerWaalsContact O-CB 3.3Å; F54-L58 WeakPolarHBondContact O-CB 3.34Å; F54-L58 PolarHBondContact O-N 2.95Å; R55-L58 PolarHBondContact O-N 3.23Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.43Å; L58-G60 VanDerWaalsContact C-N 3.29Å; L58-S61 WeakPolarHBondContact CA-OG 3.36Å; L58-S61 PolarHBondContact O-N 3.41Å; L58-S61 PolarHBondContact O-OG 3.35Å; L58-C62 PolarHBondContact O-N 2.85Å; L58-C62 PolarHBondContact O-SG 2.9Å; L58-I235 HydrophobicContact CD2-CD1 4.45Å; L58-S268 WeakPolarHBondContact CD1-O 3.37Å; L58-L269 HydrophobicContact CD1-CD2 4.02Å; L58-T272 HydrophobicContact CB-CG2 4.33Å
59V94.6Very high93.1Very high34 Ų3454.2 Ų54.221%0.20627%0.268CS..Hα-helixtrans-64.8-38.3173.1168.70000110.4R55 E56 C62 Y63 I234R55-V59 WeakPolarHBondContact O-CG2 3.49Å; R55-V59 PolarHBondContact O-N 2.84Å; E56-V59 PolarHBondContact O-N 3.36Å; V59-C62 VanDerWaalsContact O-CB 3.32Å; V59-C62 WeakPolarHBondContact O-CB 3.16Å; V59-C62 PolarHBondContact O-N 2.77Å; V59-Y63 HydrophobicContact CG1-CE2 3.88Å; V59-Y63 WeakPolarHBondContact O-CD2 3.5Å; V59-Y63 PolarHBondContact O-N 3.26Å; V59-I234 HydrophobicContact CG1-CD1 3.73Å; V59-I234 HydrophobicContact CG1-CG2 4.24Å
60G93Very high94Very high39 Ų3952 Ų5240%0.40226%0.256SS..Hα-helixtrans-58.1-49.1171.900000113.1E56 A57 L58 C62 Y63E56-G60 PolarHBondContact O-N 3.04Å; A57-G60 WeakPolarHBondContact O-CA 3.47Å; A57-G60 PolarHBondContact O-N 3.33Å; L58-G60 VanDerWaalsContact C-N 3.29Å; G60-C62 VanDerWaalsContact C-N 3.28Å; G60-C62 PolarHBondContact O-N 3.18Å; G60-Y63 PolarHBondContact O-N 3.07Å
61S95.2Very high94.8Very high14 Ų1446.2 Ų46.210%0.09823%0.232CC..Hα-helixtrans-66.4-29.6178.165.20000112.8A57 L58 Y63 L64 M65 S268A57-S61 PolarHBondContact O-N 2.95Å; L58-S61 WeakPolarHBondContact CA-OG 3.36Å; L58-S61 PolarHBondContact O-N 3.41Å; L58-S61 PolarHBondContact O-OG 3.35Å; S61-Y63 PolarHBondContact O-N 2.89Å; S61-L64 WeakPolarHBondContact O-CB 3.4Å; S61-L64 PolarHBondContact O-N 3.45Å; S61-M65 WeakPolarHBondContact O-CB 3.42Å; S61-M65 PolarHBondContact O-N 3.32Å; S61-S268 PolarHBondContact OG-O 3.44Å
62C95.7Very high95.3Very high5 Ų542.9 Ų42.93%0.03422%0.215CC..Hα-helixtrans-58.4-42.5172.6-76.80000112.6L58 V59 G60 L64 M65 Q66 I234 T238L58-C62 PolarHBondContact O-N 2.85Å; L58-C62 PolarHBondContact O-SG 2.9Å; V59-C62 VanDerWaalsContact O-CB 3.32Å; V59-C62 WeakPolarHBondContact O-CB 3.16Å; V59-C62 PolarHBondContact O-N 2.77Å; G60-C62 VanDerWaalsContact C-N 3.28Å; G60-C62 PolarHBondContact O-N 3.18Å; C62-L64 VanDerWaalsContact C-N 3.33Å; C62-L64 PolarHBondContact O-N 3.27Å; C62-M65 PolarHBondContact O-N 3.34Å; C62-Q66 WeakPolarHBondContact O-CB 3.39Å; C62-Q66 WeakPolarHBondContact O-CG 3.47Å; C62-Q66 PolarHBondContact O-N 3.45Å; C62-I234 HydrophobicContact CB-CG2 3.72Å; C62-T238 HydrophobicContact CB-CG2 4.28Å; C62-T238 VanDerWaalsContact CB-OG1 3.27Å; C62-T238 WeakPolarHBondContact CB-OG1 3.48Å; C62-T238 PolarHBondContact SG-OG1 2.9Å
63Y94.7Very high95.6Very high79 Ų7939.7 Ų39.731%0.3121%0.205SC..Hα-helixtrans-61.6-42.4178.7-68.4-65.8000112.3V59 G60 S61 H67 I234V59-Y63 HydrophobicContact CG1-CE2 3.88Å; V59-Y63 WeakPolarHBondContact O-CD2 3.5Å; V59-Y63 PolarHBondContact O-N 3.26Å; G60-Y63 PolarHBondContact O-N 3.07Å; S61-Y63 PolarHBondContact O-N 2.89Å; Y63-H67 PolarHBondContact O-N 2.77Å; Y63-I234 HydrophobicContact CE1-CD1 4.37Å; Y63-I234 WeakPolarHBondContact OH-CD1 3.3Å
64L95Very high95.8Very high61 Ų6136 Ų3632%0.31918%0.183SC..Hα-helixtrans-58-52.9173.2172.960.9000110.6S61 C62 Q66 H67 V68 Y172 V267S61-L64 WeakPolarHBondContact O-CB 3.4Å; S61-L64 PolarHBondContact O-N 3.45Å; C62-L64 VanDerWaalsContact C-N 3.33Å; C62-L64 PolarHBondContact O-N 3.27Å; L64-Q66 VanDerWaalsContact C-N 3.31Å; L64-Q66 PolarHBondContact O-N 3.04Å; L64-H67 PolarHBondContact O-N 3.01Å; L64-H67 VanDerWaalsContact O-N 3.1Å; L64-V68 HydrophobicContact CD1-CG2 4.21Å; L64-V68 WeakPolarHBondContact O-CG2 3.37Å; L64-V68 PolarHBondContact O-N 3.38Å; L64-Y172 VanDerWaalsContact CA-CE1 3.47Å; L64-Y172 HydrophobicContact CB-CD1 4.29Å; L64-Y172 HydrophobicContact CB-CE1 4.21Å; L64-Y172 HydrophobicContact CD1-CD1 4.5Å; L64-Y172 HydrophobicContact CD1-CE1 3.73Å; L64-Y172 HydrophobicContact CD1-CE2 4.08Å; L64-Y172 VanDerWaalsContact CD1-CZ 3.46Å; L64-Y172 WeakPolarHBondContact CD1-OH 3.35Å; L64-V267 HydrophobicContact CD2-CG1 3.8Å
65M96.9Very high96Very high4 Ų434 Ų342%0.0218%0.177CC..Hα-helixtrans-68.6-30.8-173-154.656.3-120.800112.8S61 C62 V68 S69 T238 Y260 H264S61-M65 WeakPolarHBondContact O-CB 3.42Å; S61-M65 PolarHBondContact O-N 3.32Å; C62-M65 PolarHBondContact O-N 3.34Å; M65-V68 HydrophobicContact CE-CB 3.63Å; M65-V68 HydrophobicContact CE-CG1 3.46Å; M65-V68 VanDerWaalsContact CE-CG1 3.46Å; M65-V68 PolarHBondContact O-N 3.47Å; M65-V68 HydrophobicContact SD-CB 4.35Å; M65-S69 WeakPolarHBondContact O-CB 3.27Å; M65-S69 PolarHBondContact O-N 3.18Å; M65-S69 PolarHBondContact O-OG 3.45Å; M65-T238 HydrophobicContact CB-CG2 4.32Å; M65-Y260 HydrophobicContact CE-CD2 4.35Å; M65-Y260 HydrophobicContact CE-CE2 3.38Å; M65-H264 WeakPolarHBondContact CG-CE1 3.12Å; M65-H264 WeakPolarHBondContact CG-ND1 3.43Å; M65-H264 HydrophobicContact SD-CB 4.37Å
66Q96.8Very high96.1Very high0 Ų027.1 Ų27.10%015%0.153CC..Hα-helixtrans-62.2-40.2171.4-74.4174.97.800112.4C62 L64 S70 R223 I234 T238 L241C62-Q66 WeakPolarHBondContact O-CB 3.39Å; C62-Q66 WeakPolarHBondContact O-CG 3.47Å; C62-Q66 PolarHBondContact O-N 3.45Å; L64-Q66 VanDerWaalsContact C-N 3.31Å; L64-Q66 PolarHBondContact O-N 3.04Å; Q66-S70 WeakPolarHBondContact O-CB 3.29Å; Q66-S70 PolarHBondContact O-N 3.24Å; Q66-S70 PolarHBondContact O-OG 3.11Å; Q66-R223 VanDerWaalsContact OE1-CD 3.28Å; Q66-I234 PolarHBondContact NE2-O 3.34Å; Q66-I234 VanDerWaalsContact NE2-O 3.15Å; Q66-T238 HydrophobicContact CG-CG2 4.25Å; Q66-T238 WeakPolarHBondContact CG-OG1 3.35Å; Q66-T238 PolarHBondContact NE2-OG1 2.88Å; Q66-L241 HydrophobicContact CB-CD1 4.16Å; Q66-L241 HydrophobicContact CG-CD1 3.97Å
67H96.5Very high96.3Very high5 Ų525.3 Ų25.32%0.02315%0.146CC..Hα-helixtrans-71.6-43178-169.452.7000111.5Y63 L64 S69 S70 V71 L167 Y170 Y172Y63-H67 PolarHBondContact O-N 2.77Å; L64-H67 PolarHBondContact O-N 3.01Å; L64-H67 VanDerWaalsContact O-N 3.1Å; H67-S69 VanDerWaalsContact C-N 3.31Å; H67-S69 PolarHBondContact O-N 3.35Å; H67-S70 WeakPolarHBondContact O-CA 3.2Å; H67-S70 WeakPolarHBondContact O-CB 3.49Å; H67-S70 PolarHBondContact O-N 2.93Å; H67-V71 PolarHBondContact O-N 3.22Å; H67-L167 VanDerWaalsContact CD2-CD2 3.41Å; H67-L167 WeakPolarHBondContact CD2-CD2 3.36Å; H67-Y170 HydrophobicContact CB-CD1 4.34Å; H67-Y170 HydrophobicContact CB-CE1 4.39Å; H67-Y170 AromaticContact CD2-CD1 3.94Å; H67-Y170 AromaticContact CD2-CD2 3.86Å; H67-Y170 AromaticContact CD2-CG 3.53Å; H67-Y170 AromaticContact CE1-CD2 3.37Å; H67-Y170 WeakPolarHBondContact CE1-CD2 3.24Å; H67-Y170 AromaticContact CE1-CE2 3.62Å; H67-Y170 AromaticContact CE1-CG 3.87Å; H67-Y170 AromaticContact CG-CD1 3.95Å; H67-Y170 AromaticContact CG-CG 3.9Å; H67-Y170 AromaticContact ND1-CD2 3.8Å; H67-Y170 AromaticContact ND1-CE2 3.74Å; H67-Y170 AromaticContact ND1-CZ 3.96Å; H67-Y170 AromaticContact NE2-CD2 3.41Å; H67-Y170 WeakPolarHBondContact NE2-CD2 3.29Å; H67-Y170 AromaticContact NE2-CG 3.54Å; H67-Y172 HydrophobicContact CB-CE1 3.8Å
68V97.5Very high96.4Very high31 Ų3125.4 Ų25.419%0.18814%0.143CC..Hα-helixtrans-57-45.9172.7176.40000110.9L64 M65 S70 V71 L72 L167L64-V68 HydrophobicContact CD1-CG2 4.21Å; L64-V68 WeakPolarHBondContact O-CG2 3.37Å; L64-V68 PolarHBondContact O-N 3.38Å; M65-V68 HydrophobicContact CE-CB 3.63Å; M65-V68 HydrophobicContact CE-CG1 3.46Å; M65-V68 VanDerWaalsContact CE-CG1 3.46Å; M65-V68 PolarHBondContact O-N 3.47Å; M65-V68 HydrophobicContact SD-CB 4.35Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.38Å; V68-V71 PolarHBondContact O-N 2.85Å; V68-L72 HydrophobicContact CG1-CD1 4.13Å; V68-L72 WeakPolarHBondContact O-CG 3.26Å; V68-L72 PolarHBondContact O-N 3.49Å; V68-L167 HydrophobicContact CB-CD2 4.47Å; V68-L167 HydrophobicContact CG2-CD1 4.2Å; V68-L167 HydrophobicContact CG2-CD2 3.87Å
69S98Very high96.4Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-61-37.3174.4-64.80000112.6M65 H67 L72 L73 Y260M65-S69 WeakPolarHBondContact O-CB 3.27Å; M65-S69 PolarHBondContact O-N 3.18Å; M65-S69 PolarHBondContact O-OG 3.45Å; H67-S69 VanDerWaalsContact C-N 3.31Å; H67-S69 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.36Å; S69-L73 WeakPolarHBondContact O-CB 3.43Å; S69-L73 VanDerWaalsContact O-CG 3.25Å; S69-L73 WeakPolarHBondContact O-CG 3.18Å; S69-L73 PolarHBondContact O-N 2.85Å; S69-Y260 PolarHBondContact OG-OH 3.05Å
70S97.7Very high96.4Very high2 Ų223.6 Ų23.61%0.01413%0.134CC..Hα-helixtrans-65.6-42.2177.6-56.80000111.6Q66 H67 V68 L73 F74 I215Q66-S70 WeakPolarHBondContact O-CB 3.29Å; Q66-S70 PolarHBondContact O-N 3.24Å; Q66-S70 PolarHBondContact O-OG 3.11Å; H67-S70 WeakPolarHBondContact O-CA 3.2Å; H67-S70 WeakPolarHBondContact O-CB 3.49Å; H67-S70 PolarHBondContact O-N 2.93Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.38Å; S70-L73 PolarHBondContact O-N 2.98Å; S70-F74 PolarHBondContact O-N 3.45Å; S70-I215 WeakPolarHBondContact O-CG2 3.34Å
71V98Very high96.5Very high10 Ų1022 Ų226%0.06112%0.117CC..Hα-helixtrans-60.2-48.1173.1172.10000110.8H67 V68 L73 F74 V75 F163 L167 F216H67-V71 PolarHBondContact O-N 3.22Å; V68-V71 PolarHBondContact O-N 2.85Å; V71-L73 PolarHBondContact O-N 2.87Å; V71-F74 WeakPolarHBondContact O-CB 3.45Å; V71-F74 PolarHBondContact O-N 3.32Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.31Å; V71-F163 HydrophobicContact CG1-CB 3.91Å; V71-F163 HydrophobicContact CG1-CD1 3.86Å; V71-F163 HydrophobicContact CG1-CD2 4.4Å; V71-F163 HydrophobicContact CG1-CG 3.82Å; V71-F163 HydrophobicContact CG2-CD1 4.49Å; V71-L167 HydrophobicContact CB-CD2 4.46Å; V71-L167 HydrophobicContact CG2-CD2 3.7Å; V71-L167 HydrophobicContact CG2-CG 4.37Å; V71-F216 HydrophobicContact CB-CE1 4.49Å; V71-F216 HydrophobicContact CB-CZ 4.49Å; V71-F216 HydrophobicContact CG2-CE1 3.67Å; V71-F216 HydrophobicContact CG2-CZ 4.05Å
72L97.9Very high96.5Very high49 Ų4926.1 Ų26.126%0.25713%0.131SC..Hα-helixtrans-65-40.2180-70.2172.3000112.4V68 S69 F74 V75 I76 V245 Y260V68-L72 HydrophobicContact CG1-CD1 4.13Å; V68-L72 WeakPolarHBondContact O-CG 3.26Å; V68-L72 PolarHBondContact O-N 3.49Å; S69-L72 PolarHBondContact O-N 3.36Å; L72-F74 VanDerWaalsContact C-N 3.3Å; L72-F74 PolarHBondContact O-N 2.96Å; L72-V75 PolarHBondContact O-N 2.83Å; L72-I76 WeakPolarHBondContact O-CB 3.29Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 WeakPolarHBondContact O-CG1 3.33Å; L72-I76 PolarHBondContact O-N 3.48Å; L72-V245 HydrophobicContact CB-CG1 4.06Å; L72-V245 HydrophobicContact CB-CG2 4.32Å; L72-V245 HydrophobicContact CD1-CG1 3.98Å; L72-Y260 HydrophobicContact CD1-CD2 3.37Å; L72-Y260 HydrophobicContact CD1-CE2 3.45Å; L72-Y260 VanDerWaalsContact CD1-CE2 3.45Å
73L97.2Very high96.4Very high37 Ų3732.1 Ų32.119%0.19415%0.154CC..Hα-helixtrans-59.6-42.3174.2-76.3173.3000111.5S69 S70 V71 I76 L77 L241 V245S69-L73 WeakPolarHBondContact O-CB 3.43Å; S69-L73 VanDerWaalsContact O-CG 3.25Å; S69-L73 WeakPolarHBondContact O-CG 3.18Å; S69-L73 PolarHBondContact O-N 2.85Å; S70-L73 PolarHBondContact O-N 2.98Å; V71-L73 PolarHBondContact O-N 2.87Å; L73-I76 PolarHBondContact O-N 3.29Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3.01Å; L73-L241 HydrophobicContact CD1-CD2 3.8Å; L73-V245 HydrophobicContact CD1-CG2 4.39Å; L73-V245 HydrophobicContact CD2-CG2 3.84Å; L73-V245 HydrophobicContact CG-CG2 3.66Å
74F98.1Very high96.3Very high0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-60.5-46.5174.8179.3-89.4000111.6S70 V71 L72 I76 L77 F78 F163 T192 L195 M208 N211 F212 I215 F216S70-F74 PolarHBondContact O-N 3.45Å; V71-F74 WeakPolarHBondContact O-CB 3.45Å; V71-F74 PolarHBondContact O-N 3.32Å; L72-F74 VanDerWaalsContact C-N 3.3Å; L72-F74 PolarHBondContact O-N 2.96Å; F74-I76 PolarHBondContact O-N 3.21Å; F74-L77 PolarHBondContact O-N 3Å; F74-F78 WeakPolarHBondContact O-CB 3.35Å; F74-F78 PolarHBondContact O-N 2.98Å; F74-F163 HydrophobicContact CD1-CE1 4.35Å; F74-F163 HydrophobicContact CD1-CE2 4.42Å; F74-F163 AromaticContact CD1-CZ 3.64Å; F74-F163 HydrophobicContact CD1-CZ 3.64Å; F74-F163 AromaticContact CE1-CZ 3.84Å; F74-F163 HydrophobicContact CE1-CZ 3.84Å; F74-T192 HydrophobicContact CE1-CG2 4.31Å; F74-T192 HydrophobicContact CE2-CG2 4.24Å; F74-T192 HydrophobicContact CZ-CG2 3.54Å; F74-T192 WeakPolarHBondContact CZ-OG1 3.46Å; F74-L195 HydrophobicContact CE1-CD1 4.41Å; F74-M208 HydrophobicContact CD2-CE 4.21Å; F74-M208 HydrophobicContact CE1-CE 4.26Å; F74-M208 HydrophobicContact CE2-CE 3.58Å; F74-M208 HydrophobicContact CZ-CE 3.59Å; F74-N211 HydrophobicContact CD2-CB 4.45Å; F74-N211 HydrophobicContact CE2-CB 4.29Å; F74-F212 HydrophobicContact CE2-CB 3.89Å; F74-I215 HydrophobicContact CB-CD1 4.13Å; F74-I215 HydrophobicContact CD2-CD1 4.28Å; F74-F216 HydrophobicContact CB-CE2 3.79Å; F74-F216 HydrophobicContact CB-CZ 3.97Å; F74-F216 HydrophobicContact CD1-CE2 4.22Å; F74-F216 AromaticContact CD2-CE2 3.86Å; F74-F216 HydrophobicContact CD2-CE2 3.86Å; F74-F216 AromaticContact CG-CE2 3.66Å; F74-F216 HydrophobicContact CG-CE2 3.66Å; F74-F216 HydrophobicContact CG-CZ 4.25Å
75V97.2Very high96.2Very high46 Ų4634.6 Ų34.628%0.27918%0.176SC..Hα-helixtrans-62.5-42.1177.9174.50000111.4V71 L72 F78 S79 F163V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.31Å; L72-V75 PolarHBondContact O-N 2.83Å; V75-F78 WeakPolarHBondContact O-CB 3.37Å; V75-F78 PolarHBondContact O-N 3.43Å; V75-S79 WeakPolarHBondContact O-CB 3.41Å; V75-S79 PolarHBondContact O-N 2.89Å; V75-S79 PolarHBondContact O-OG 3.43Å; V75-S79 VanDerWaalsContact O-OG 3.11Å; V75-F163 HydrophobicContact CG2-CD2 4.26Å; V75-F163 HydrophobicContact CG2-CE2 3.92Å
76I96.9Very high96.1Very high17 Ų1736.7 Ų36.79%0.08719%0.187CC..Hα-helixtrans-60.8-47.7176-68.5160.5000110.4L72 L73 F74 F78 S79 C80 V245 L249L72-I76 WeakPolarHBondContact O-CB 3.29Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 WeakPolarHBondContact O-CG1 3.33Å; L72-I76 PolarHBondContact O-N 3.48Å; L73-I76 PolarHBondContact O-N 3.29Å; F74-I76 PolarHBondContact O-N 3.21Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 3.5Å; I76-S79 PolarHBondContact O-N 3.09Å; I76-C80 WeakPolarHBondContact O-CB 3.45Å; I76-C80 PolarHBondContact O-N 2.76Å; I76-C80 PolarHBondContact O-SG 2.92Å; I76-V245 HydrophobicContact CD1-CG1 4.29Å; I76-L249 HydrophobicContact CD1-CD2 3.91Å; I76-L249 HydrophobicContact CD1-CG 3.89Å; I76-L249 HydrophobicContact CG1-CD2 3.93Å; I76-L249 HydrophobicContact CG1-CG 4.44Å
77L96.3Very high96Very high53 Ų5339.6 Ų39.628%0.27721%0.208SC..Hα-helixtrans-61.6-42.3177.9-72.1171.9000111.8L73 F74 C80 N81 I215L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3.01Å; F74-L77 PolarHBondContact O-N 3Å; L77-C80 PolarHBondContact O-N 3.34Å; L77-N81 WeakPolarHBondContact O-CB 3.08Å; L77-N81 PolarHBondContact O-N 3.27Å; L77-I215 HydrophobicContact CD1-CD1 3.75Å
78F96.3Very high95.9Very high17 Ų1742.7 Ų42.78%0.07522%0.219CC..Hα-helixtrans-58.5-49.8173.3171-99.2000111.1F74 V75 I76 C80 N81 Y82 L195 R198 L199 M208F74-F78 WeakPolarHBondContact O-CB 3.35Å; F74-F78 PolarHBondContact O-N 2.98Å; V75-F78 WeakPolarHBondContact O-CB 3.37Å; V75-F78 PolarHBondContact O-N 3.43Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-F78 PolarHBondContact O-N 3.5Å; F78-C80 PolarHBondContact O-N 3.36Å; F78-N81 PolarHBondContact O-N 2.89Å; F78-Y82 HydrophobicContact CZ-CD2 4.32Å; F78-Y82 HydrophobicContact CZ-CG 4.5Å; F78-Y82 WeakPolarHBondContact O-CB 3.36Å; F78-Y82 PolarHBondContact O-N 3.37Å; F78-L195 HydrophobicContact CD1-CB 4.37Å; F78-L195 HydrophobicContact CD1-CD1 4.09Å; F78-L195 HydrophobicContact CD1-CD2 4.44Å; F78-L195 HydrophobicContact CD2-CB 4Å; F78-L195 HydrophobicContact CE1-CB 4.11Å; F78-L195 HydrophobicContact CE1-CD1 4.4Å; F78-L195 HydrophobicContact CE1-CD2 3.96Å; F78-L195 HydrophobicContact CE1-CG 4.39Å; F78-L195 VanDerWaalsContact CE2-C 3.45Å; F78-L195 HydrophobicContact CE2-CB 3.72Å; F78-L195 WeakPolarHBondContact CE2-O 3.3Å; F78-L195 HydrophobicContact CG-CB 4.31Å; F78-L195 HydrophobicContact CG-CD1 4.27Å; F78-L195 HydrophobicContact CZ-CB 3.78Å; F78-L195 HydrophobicContact CZ-CD2 4.26Å; F78-L195 VanDerWaalsContact CZ-O 3.26Å; F78-L195 WeakPolarHBondContact CZ-O 3.34Å; F78-R198 HydrophobicContact CZ-CB 4.48Å; F78-L199 HydrophobicContact CD2-CD1 4.44Å; F78-L199 HydrophobicContact CD2-CD2 4.45Å; F78-L199 HydrophobicContact CE2-CD1 4.19Å; F78-L199 HydrophobicContact CE2-CD2 3.95Å; F78-L199 HydrophobicContact CE2-CG 3.92Å; F78-M208 HydrophobicContact CB-CE 3.66Å; F78-M208 HydrophobicContact CD2-CE 4.4Å
79S95.4Very high95.9Very high23 Ų2345.8 Ų45.816%0.16123%0.232CC..Hα-helixtrans-60.5-46.7178.6-67.50000111.7V75 I76 N81 Y82 Y83V75-S79 WeakPolarHBondContact O-CB 3.41Å; V75-S79 PolarHBondContact O-N 2.89Å; V75-S79 PolarHBondContact O-OG 3.43Å; V75-S79 VanDerWaalsContact O-OG 3.11Å; I76-S79 PolarHBondContact O-N 3.09Å; S79-N81 VanDerWaalsContact C-N 3.25Å; S79-N81 PolarHBondContact O-N 3.08Å; S79-Y82 PolarHBondContact O-N 2.87Å; S79-Y83 VanDerWaalsContact O-CD2 3.31Å; S79-Y83 WeakPolarHBondContact O-CD2 3.23Å; S79-Y83 PolarHBondContact O-N 2.57Å
80C95.3Very high95.8Very high4 Ų449.7 Ų49.73%0.02725%0.252CS..Hα-helixtrans-59.8-36.4176.4-69.10000112.6I76 L77 F78 G84 W85 I86I76-C80 WeakPolarHBondContact O-CB 3.45Å; I76-C80 PolarHBondContact O-N 2.76Å; I76-C80 PolarHBondContact O-SG 2.92Å; L77-C80 PolarHBondContact O-N 3.34Å; F78-C80 PolarHBondContact O-N 3.36Å; C80-G84 PolarHBondContact O-N 3.37Å; C80-W85 HydrophobicContact CB-CB 4.45Å; C80-W85 PolarHBondContact O-N 3.41Å; C80-I86 HydrophobicContact CB-CB 4.48Å; C80-I86 HydrophobicContact CB-CD1 3.66Å; C80-I86 HydrophobicContact CB-CG1 3.93Å; C80-I86 PolarHBondContact O-N 3.42Å
81N94.5Very high95.8Very high5 Ų550 Ų503%0.02725%0.254CS..Hα-helixtrans-72.1-45.6176.1-171.5-106.4000111.7L77 F78 S79 Y83 G84 L199 E204 M208L77-N81 WeakPolarHBondContact O-CB 3.08Å; L77-N81 PolarHBondContact O-N 3.27Å; F78-N81 PolarHBondContact O-N 2.89Å; S79-N81 VanDerWaalsContact C-N 3.25Å; S79-N81 PolarHBondContact O-N 3.08Å; N81-Y83 PolarHBondContact O-N 3.39Å; N81-G84 PolarHBondContact O-N 2.9Å; N81-L199 WeakPolarHBondContact OD1-CD2 3.28Å; N81-E204 WeakPolarHBondContact OD1-CB 3.12Å; N81-E204 WeakPolarHBondContact OD1-CG 3.5Å; N81-M208 HydrophobicContact CB-SD 4.26Å
82Y94.3Very high95.7Very high101 Ų10152 Ų5240%0.39626%0.264SS..Hα-helixtrans-60.6-40.5179.6179.2-98.1000113.1F78 S79 G84 R198 L199F78-Y82 HydrophobicContact CZ-CD2 4.32Å; F78-Y82 HydrophobicContact CZ-CG 4.5Å; F78-Y82 WeakPolarHBondContact O-CB 3.36Å; F78-Y82 PolarHBondContact O-N 3.37Å; S79-Y82 PolarHBondContact O-N 2.87Å; Y82-G84 VanDerWaalsContact C-N 3.3Å; Y82-R198 HydrophobicContact CD2-CB 4.35Å; Y82-R198 HydrophobicContact CE2-CB 3.97Å; Y82-R198 WeakPolarHBondContact CE2-O 3.48Å; Y82-L199 HydrophobicContact CD2-CD2 4.29Å
83Y94.4Very high95.7Very high131 Ų13153.9 Ų53.951%0.51427%0.274SS..THydrogen-bonded Turntrans-86.22.5175.8-72.3-87.9000113.7S79 N81 W85 W252S79-Y83 VanDerWaalsContact O-CD2 3.31Å; S79-Y83 WeakPolarHBondContact O-CD2 3.23Å; S79-Y83 PolarHBondContact O-N 2.57Å; N81-Y83 PolarHBondContact O-N 3.39Å; Y83-W85 VanDerWaalsContact C-N 3.28Å; Y83-W85 PolarHBondContact O-N 3.45Å; Y83-W252 AromaticContact CD2-CH2 3.89Å; Y83-W252 HydrophobicContact CD2-CH2 3.89Å; Y83-W252 AromaticContact CD2-CZ2 3.36Å; Y83-W252 HydrophobicContact CD2-CZ2 3.36Å; Y83-W252 AromaticContact CE2-CH2 3.17Å; Y83-W252 HydrophobicContact CE2-CH2 3.17Å; Y83-W252 AromaticContact CE2-CZ2 3.16Å; Y83-W252 HydrophobicContact CE2-CZ2 3.16Å; Y83-W252 HydrophobicContact CG-CZ2 4.29Å; Y83-W252 AromaticContact CZ-CH2 3.56Å; Y83-W252 AromaticContact CZ-CZ2 3.93Å
84G92.7Very high95.6Very high59 Ų5956.2 Ų56.261%0.60829%0.286SS*.THydrogen-bonded Turntrans69.418.6177.600000115.1C80 N81 Y82 I86C80-G84 PolarHBondContact O-N 3.37Å; N81-G84 PolarHBondContact O-N 2.9Å; Y82-G84 VanDerWaalsContact C-N 3.3Å; G84-I86 VanDerWaalsContact C-N 3.26Å; G84-I86 PolarHBondContact O-N 3.41Å
85W93.4Very high95.5Very high132 Ų13256.6 Ų56.650%0.529%0.288SS..SBendtrans-69.3-27.9175.9-65.41.4000112.2C80 Y83 Q251 W252C80-W85 HydrophobicContact CB-CB 4.45Å; C80-W85 PolarHBondContact O-N 3.41Å; Y83-W85 VanDerWaalsContact C-N 3.28Å; Y83-W85 PolarHBondContact O-N 3.45Å; W85-Q251 HydrophobicContact CZ3-CB 4.28Å; W85-W252 AromaticContact CH2-CD1 3.4Å; W85-W252 VanDerWaalsContact CH2-CD1 3.4Å; W85-W252 HydrophobicContact CH2-CD2 4.36Å; W85-W252 AromaticContact CH2-CG 3.99Å; W85-W252 HydrophobicContact CH2-CG 3.99Å; W85-W252 AromaticContact CH2-NE1 3.4Å; W85-W252 AromaticContact CZ3-CD1 3.23Å; W85-W252 HydrophobicContact CZ3-CG 4.19Å; W85-W252 AromaticContact CZ3-NE1 3.35Å; W85-W252 VanDerWaalsContact CZ3-NE1 3.35Å
86I93Very high95.5Very high48 Ų4858.2 Ų58.225%0.24630%0.298CS..SBendtrans-128.5126.8177.4-53.3175.6000108.4C80 G84 L90 V91C80-I86 HydrophobicContact CB-CB 4.48Å; C80-I86 HydrophobicContact CB-CD1 3.66Å; C80-I86 HydrophobicContact CB-CG1 3.93Å; C80-I86 PolarHBondContact O-N 3.42Å; G84-I86 VanDerWaalsContact C-N 3.26Å; G84-I86 PolarHBondContact O-N 3.41Å; I86-L90 HydrophobicContact CG2-CB 4.36Å; I86-L90 HydrophobicContact CG2-CD2 4.11Å; I86-L90 HydrophobicContact CG2-CG 4.41Å; I86-V91 HydrophobicContact CB-CG2 4.25Å; I86-V91 HydrophobicContact CG2-CG2 3.42Å; I86-V91 VanDerWaalsContact CG2-CG2 3.42Å
87S95Very high95.5Very high61 Ų6163.2 Ų63.243%0.42732%0.319SS..  trans-67.6140.6175.870.30000111.1Q89 L90 V91S87-Q89 PolarHBondContact O-N 3.27Å; S87-L90 PolarHBondContact O-N 3.35Å; S87-L90 VanDerWaalsContact O-N 3.08Å; S87-L90 WeakPolarHBondContact OG-CB 3.47Å; S87-L90 PolarHBondContact OG-N 2.84Å; S87-V91 PolarHBondContact O-N 3.15Å
88W95.4Very high95.4Very high70 Ų7064.2 Ų64.227%0.26533%0.329SS..Hα-helixtrans-61.2-29.6179.862.3-96.8000112V91 L92 N203 E204 V207W88-V91 PolarHBondContact O-N 3.26Å; W88-L92 HydrophobicContact CZ3-CD2 4.42Å; W88-L92 WeakPolarHBondContact O-CB 3.04Å; W88-L92 PolarHBondContact O-N 2.92Å; W88-N203 HydrophobicContact CD2-CB 4.06Å; W88-N203 HydrophobicContact CE3-CB 4.15Å; W88-N203 HydrophobicContact CH2-CB 4.28Å; W88-N203 HydrophobicContact CZ2-CB 4.18Å; W88-N203 HydrophobicContact CZ3-CB 4.26Å; W88-E204 HydrophobicContact CB-CG 3.82Å; W88-E204 HydrophobicContact CG-CG 4.1Å; W88-V207 HydrophobicContact CB-CG2 4.23Å; W88-V207 HydrophobicContact CE3-CG2 4.14Å
89Q96.9Very high95.4Very high97 Ų9766.7 Ų66.745%0.45334%0.341SS..Hα-helixtrans-64-42.5175.2-58.389.4-25.400111.6S87 L92 L93S87-Q89 PolarHBondContact O-N 3.27Å; Q89-L92 PolarHBondContact O-N 2.85Å; Q89-L93 WeakPolarHBondContact O-CB 3.39Å; Q89-L93 PolarHBondContact O-N 2.88Å
90L96.7Very high95.3Very high82 Ų8268.6 Ų68.643%0.42936%0.358SS..Hα-helixtrans-66.5-42.6177.9179.159.4000110.7I86 S87 L92 L93 I94I86-L90 HydrophobicContact CG2-CB 4.36Å; I86-L90 HydrophobicContact CG2-CD2 4.11Å; I86-L90 HydrophobicContact CG2-CG 4.41Å; S87-L90 PolarHBondContact O-N 3.35Å; S87-L90 VanDerWaalsContact O-N 3.08Å; S87-L90 WeakPolarHBondContact OG-CB 3.47Å; S87-L90 PolarHBondContact OG-N 2.84Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.19Å; L90-L93 WeakPolarHBondContact O-CB 3.4Å; L90-L93 PolarHBondContact O-N 3.31Å; L90-I94 HydrophobicContact CD1-CD1 4.23Å; L90-I94 HydrophobicContact CD1-CG1 4.39Å; L90-I94 HydrophobicContact CG-CD1 4.04Å; L90-I94 VanDerWaalsContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 2.94Å
91V96.1Very high95.4Very high9 Ų974 Ų746%0.05539%0.385CS..Hα-helixtrans-63-41.1176-178.40000111.1I86 S87 W88 I94 N95 V207 N211I86-V91 HydrophobicContact CB-CG2 4.25Å; I86-V91 HydrophobicContact CG2-CG2 3.42Å; I86-V91 VanDerWaalsContact CG2-CG2 3.42Å; S87-V91 PolarHBondContact O-N 3.15Å; W88-V91 PolarHBondContact O-N 3.26Å; V91-I94 PolarHBondContact O-N 3.35Å; V91-N95 PolarHBondContact O-N 3.33Å; V91-N95 PolarHBondContact O-ND2 2.93Å; V91-V207 HydrophobicContact CB-CG1 3.61Å; V91-V207 HydrophobicContact CG1-CG1 3.32Å; V91-N211 WeakPolarHBondContact CG1-ND2 3.28Å
92L96.6Very high95.4Very high50 Ų5075 Ų7526%0.26240%0.396SS..Hα-helixtrans-63.1-42.5175.2-177.860.2000112.1W88 Q89 L90 N95 T96 F206 V207W88-L92 HydrophobicContact CZ3-CD2 4.42Å; W88-L92 WeakPolarHBondContact O-CB 3.04Å; W88-L92 PolarHBondContact O-N 2.92Å; Q89-L92 PolarHBondContact O-N 2.85Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.19Å; L92-N95 PolarHBondContact O-N 3.35Å; L92-T96 WeakPolarHBondContact O-CB 3.44Å; L92-T96 PolarHBondContact O-N 3.16Å; L92-T96 PolarHBondContact O-OG1 2.87Å; L92-F206 HydrophobicContact CD1-CE1 3.88Å; L92-F206 HydrophobicContact CD2-CE1 4.44Å; L92-V207 HydrophobicContact CB-CG2 3.91Å; L92-V207 HydrophobicContact CD1-CG2 4.36Å
93L97.4Very high95.4Very high89 Ų8973.6 Ų73.647%0.46639%0.391SS..Hα-helixtrans-61.7-47.6176.8-176.767.3000111Q89 L90 N95 T96 F97Q89-L93 WeakPolarHBondContact O-CB 3.39Å; Q89-L93 PolarHBondContact O-N 2.88Å; L90-L93 WeakPolarHBondContact O-CB 3.4Å; L90-L93 PolarHBondContact O-N 3.31Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 2.91Å; L93-T96 WeakPolarHBondContact O-CB 3.17Å; L93-T96 PolarHBondContact O-N 3.26Å; L93-T96 VanDerWaalsContact O-N 3.16Å; L93-F97 HydrophobicContact CD1-CD2 4.07Å; L93-F97 HydrophobicContact CD1-CE2 3.53Å; L93-F97 HydrophobicContact CD1-CZ 4.33Å; L93-F97 HydrophobicContact CD2-CE2 4.12Å; L93-F97 HydrophobicContact CG-CD2 3.88Å; L93-F97 HydrophobicContact CG-CE2 3.59Å; L93-F97 VanDerWaalsContact O-CD2 3.22Å; L93-F97 WeakPolarHBondContact O-CD2 3.43Å; L93-F97 PolarHBondContact O-N 3.29Å
94I96.5Very high95.4Very high87 Ų8770.7 Ų70.745%0.44639%0.388SS..Hα-helixtrans-58.4-46.4175.4-68.7165.8000110.4L90 V91 T96 F97 C98L90-I94 HydrophobicContact CD1-CD1 4.23Å; L90-I94 HydrophobicContact CD1-CG1 4.39Å; L90-I94 HydrophobicContact CG-CD1 4.04Å; L90-I94 VanDerWaalsContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 2.94Å; V91-I94 PolarHBondContact O-N 3.35Å; I94-T96 VanDerWaalsContact C-N 3.3Å; I94-T96 PolarHBondContact O-N 2.92Å; I94-F97 PolarHBondContact O-N 2.99Å; I94-C98 WeakPolarHBondContact O-CB 3.29Å; I94-C98 PolarHBondContact O-N 2.9Å; I94-C98 PolarHBondContact O-SG 3.29Å
95N96.2Very high95.5Very high8 Ų871.4 Ų71.44%0.04337%0.374CS..Hα-helixtrans-59.3-42.3176.3-86.8-83.5000112.1V91 L92 L93 F97 C98 F99 I210 N211V91-N95 PolarHBondContact O-N 3.33Å; V91-N95 PolarHBondContact O-ND2 2.93Å; L92-N95 PolarHBondContact O-N 3.35Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 2.91Å; N95-F97 PolarHBondContact O-N 3.48Å; N95-C98 WeakPolarHBondContact O-CB 3.46Å; N95-C98 PolarHBondContact O-N 3.15Å; N95-F99 HydrophobicContact CB-CE2 4.11Å; N95-F99 WeakPolarHBondContact O-CD2 3.36Å; N95-F99 WeakPolarHBondContact O-CG 3.47Å; N95-F99 PolarHBondContact O-N 3.11Å; N95-I210 HydrophobicContact CB-CG2 4.05Å; N95-N211 PolarHBondContact ND2-OD1 3.08Å; N95-N211 PolarHBondContact OD1-OD1 3.41Å
96T95.8Very high95.6Very high80 Ų8067.6 Ų67.649%0.49136%0.36SS..Hα-helixtrans-63.3-43.6179.1-57.50000111.1L92 L93 I94 F99 A100L92-T96 WeakPolarHBondContact O-CB 3.44Å; L92-T96 PolarHBondContact O-N 3.16Å; L92-T96 PolarHBondContact O-OG1 2.87Å; L93-T96 WeakPolarHBondContact O-CB 3.17Å; L93-T96 PolarHBondContact O-N 3.26Å; L93-T96 VanDerWaalsContact O-N 3.16Å; I94-T96 VanDerWaalsContact C-N 3.3Å; I94-T96 PolarHBondContact O-N 2.92Å; T96-F99 PolarHBondContact O-N 3.48Å; T96-A100 VanDerWaalsContact O-CB 3.28Å; T96-A100 WeakPolarHBondContact O-CB 3.48Å; T96-A100 PolarHBondContact O-N 3.18Å
97F97Very high95.6Very high122 Ų12266.8 Ų66.854%0.53536%0.356SS..Hα-helixtrans-63.5-43.3172.8-78.2-63.8000112.4L93 I94 N95 F99 A100 I101L93-F97 HydrophobicContact CD1-CD2 4.07Å; L93-F97 HydrophobicContact CD1-CE2 3.53Å; L93-F97 HydrophobicContact CD1-CZ 4.33Å; L93-F97 HydrophobicContact CD2-CE2 4.12Å; L93-F97 HydrophobicContact CG-CD2 3.88Å; L93-F97 HydrophobicContact CG-CE2 3.59Å; L93-F97 VanDerWaalsContact O-CD2 3.22Å; L93-F97 WeakPolarHBondContact O-CD2 3.43Å; L93-F97 PolarHBondContact O-N 3.29Å; I94-F97 PolarHBondContact O-N 2.99Å; N95-F97 PolarHBondContact O-N 3.48Å; F97-F99 VanDerWaalsContact C-N 3.31Å; F97-F99 PolarHBondContact O-N 3.38Å; F97-A100 PolarHBondContact O-N 3.27Å; F97-I101 WeakPolarHBondContact O-CB 3.41Å; F97-I101 WeakPolarHBondContact O-CG1 3.43Å; F97-I101 PolarHBondContact O-N 3.4Å
98C95.5Very high95.5Very high73 Ų7370.3 Ų70.349%0.49336%0.36SS..Hα-helixtrans-59.1-40.3176-74.20000112I94 N95 G102I94-C98 WeakPolarHBondContact O-CB 3.29Å; I94-C98 PolarHBondContact O-N 2.9Å; I94-C98 PolarHBondContact O-SG 3.29Å; N95-C98 WeakPolarHBondContact O-CB 3.46Å; N95-C98 PolarHBondContact O-N 3.15Å; C98-G102 VanDerWaalsContact O-CA 3.23Å; C98-G102 WeakPolarHBondContact O-CA 3.36Å; C98-G102 PolarHBondContact O-N 2.96Å
99F94.9Very high95.4Very high70 Ų7067 Ų6731%0.30735%0.348SS..Hα-helixtrans-72.1-42.2175.2-65.2-47.3000112.5N95 T96 F97 I101 Y103 I210 A214 L218N95-F99 HydrophobicContact CB-CE2 4.11Å; N95-F99 WeakPolarHBondContact O-CD2 3.36Å; N95-F99 WeakPolarHBondContact O-CG 3.47Å; N95-F99 PolarHBondContact O-N 3.11Å; T96-F99 PolarHBondContact O-N 3.48Å; F97-F99 VanDerWaalsContact C-N 3.31Å; F97-F99 PolarHBondContact O-N 3.38Å; F99-I101 VanDerWaalsContact C-N 3.28Å; F99-I101 PolarHBondContact O-N 3.31Å; F99-Y103 WeakPolarHBondContact O-CB 3.35Å; F99-Y103 PolarHBondContact O-N 3.46Å; F99-Y103 VanDerWaalsContact O-N 3.08Å; F99-I210 HydrophobicContact CE2-CG2 3.72Å; F99-I210 HydrophobicContact CZ-CG2 4.12Å; F99-A214 HydrophobicContact CE1-CB 4.16Å; F99-A214 HydrophobicContact CZ-CB 3.9Å; F99-L218 HydrophobicContact CD1-CD1 4.03Å; F99-L218 HydrophobicContact CE1-CD1 3.36Å; F99-L218 HydrophobicContact CZ-CD1 4.14Å
100A94.6Very high95.2Very high63 Ų6363.3 Ų63.352%0.52133%0.332SS..Hα-helixtrans-62-34.7179.200000112.6T96 F97 P104T96-A100 VanDerWaalsContact O-CB 3.28Å; T96-A100 WeakPolarHBondContact O-CB 3.48Å; T96-A100 PolarHBondContact O-N 3.18Å; F97-A100 PolarHBondContact O-N 3.27Å; A100-P104 WeakPolarHBondContact O-CD 3.45Å; A100-P104 VanDerWaalsContact O-CG 3.24Å; A100-P104 WeakPolarHBondContact O-CG 3.43Å
101I96.1Very high94.9Very high118 Ų11861.8 Ų61.861%0.60533%0.328SS*.Hα-helixtrans-89.9-44.8177.6-62.4169.3000111.1F97 F99 Y103 P104 F105F97-I101 WeakPolarHBondContact O-CB 3.41Å; F97-I101 WeakPolarHBondContact O-CG1 3.43Å; F97-I101 PolarHBondContact O-N 3.4Å; F99-I101 VanDerWaalsContact C-N 3.28Å; F99-I101 PolarHBondContact O-N 3.31Å; I101-Y103 PolarHBondContact O-N 3.24Å; I101-P104 WeakPolarHBondContact O-CD 3.27Å; I101-F105 WeakPolarHBondContact O-CB 3.44Å; I101-F105 PolarHBondContact O-N 3.1Å; I101-F105 VanDerWaalsContact O-N 3.09Å
102G95.2Very high94.4Very high25 Ų2564.7 Ų64.726%0.25835%0.348SS..Hα-helixtrans-67.2-33.9-172.700000113.7C98 F105 Y106C98-G102 VanDerWaalsContact O-CA 3.23Å; C98-G102 WeakPolarHBondContact O-CA 3.36Å; C98-G102 PolarHBondContact O-N 2.96Å; G102-F105 PolarHBondContact O-N 2.94Å; G102-Y106 WeakPolarHBondContact O-CB 3.47Å; G102-Y106 PolarHBondContact O-N 3.43Å
103Y94.2Very high93.4Very high72 Ų7266.9 Ų66.928%0.28236%0.36SS..Hα-helixtrans-70.6-50.4178.8177.7-108.3000113.1F99 I101 F105 Y106 L107 P122 H125F99-Y103 WeakPolarHBondContact O-CB 3.35Å; F99-Y103 PolarHBondContact O-N 3.46Å; F99-Y103 VanDerWaalsContact O-N 3.08Å; I101-Y103 PolarHBondContact O-N 3.24Å; Y103-F105 VanDerWaalsContact C-N 3.25Å; Y103-F105 PolarHBondContact O-N 2.7Å; Y103-Y106 WeakPolarHBondContact O-CB 3.44Å; Y103-Y106 PolarHBondContact O-N 3.24Å; Y103-Y106 VanDerWaalsContact O-N 3.16Å; Y103-L107 HydrophobicContact CD1-CD1 4.19Å; Y103-L107 HydrophobicContact CE1-CD1 3.56Å; Y103-L107 HydrophobicContact CE1-CG 4.14Å; Y103-L107 HydrophobicContact CE2-CD1 4.46Å; Y103-L107 HydrophobicContact CE2-CD2 4.23Å; Y103-L107 HydrophobicContact CE2-CG 4.18Å; Y103-L107 PolarHBondContact O-N 3.2Å; Y103-P122 HydrophobicContact CE1-CB 4.23Å; Y103-P122 VanDerWaalsContact OH-CA 3.26Å; Y103-P122 WeakPolarHBondContact OH-CA 3.39Å; Y103-H125 HydrophobicContact CE2-CB 4.05Å; Y103-H125 WeakPolarHBondContact OH-CB 3.41Å; Y103-H125 PolarHBondContact OH-CD2 2.86Å
104P94Very high92.6Very high70 Ų7070.3 Ų70.346%0.45538%0.379SS..Hα-helixtrans-56.4-39.1169.8-26.935.5000113A100 I101 Y106 L107 W108A100-P104 WeakPolarHBondContact O-CD 3.45Å; A100-P104 VanDerWaalsContact O-CG 3.24Å; A100-P104 WeakPolarHBondContact O-CG 3.43Å; I101-P104 WeakPolarHBondContact O-CD 3.27Å; P104-Y106 PolarHBondContact O-N 3.07Å; P104-L107 PolarHBondContact O-N 3.48Å; P104-W108 WeakPolarHBondContact O-CB 3.28Å; P104-W108 PolarHBondContact O-N 3.38Å
105F95.5Very high92Very high74 Ų7467.6 Ų67.633%0.32537%0.373SS..Hα-helixtrans-61.6-43.2175.3178.5-109.8000112.3I101 G102 Y103 W108 L109 V222 F226I101-F105 WeakPolarHBondContact O-CB 3.44Å; I101-F105 PolarHBondContact O-N 3.1Å; I101-F105 VanDerWaalsContact O-N 3.09Å; G102-F105 PolarHBondContact O-N 2.94Å; Y103-F105 VanDerWaalsContact C-N 3.25Å; Y103-F105 PolarHBondContact O-N 2.7Å; F105-W108 AromaticContact CD2-CE3 3.86Å; F105-W108 HydrophobicContact CD2-CE3 3.86Å; F105-W108 HydrophobicContact CD2-CZ3 4.25Å; F105-W108 AromaticContact CE2-CE3 3.71Å; F105-W108 HydrophobicContact CE2-CE3 3.71Å; F105-W108 AromaticContact CE2-CZ3 3.63Å; F105-W108 HydrophobicContact CE2-CZ3 3.63Å; F105-W108 HydrophobicContact CZ-CZ3 4.38Å; F105-W108 WeakPolarHBondContact O-CB 3.2Å; F105-W108 PolarHBondContact O-N 2.83Å; F105-L109 HydrophobicContact CD1-CD1 3.95Å; F105-L109 HydrophobicContact CE1-CD1 3.51Å; F105-L109 HydrophobicContact CE1-CG 4.22Å; F105-L109 HydrophobicContact CE2-CG 4.47Å; F105-L109 HydrophobicContact CZ-CD1 3.88Å; F105-L109 HydrophobicContact CZ-CD2 4.24Å; F105-L109 HydrophobicContact CZ-CG 4.18Å; F105-L109 WeakPolarHBondContact O-CG 3.36Å; F105-L109 PolarHBondContact O-N 3.37Å; F105-V222 HydrophobicContact CD1-CG1 4.06Å; F105-V222 HydrophobicContact CE1-CG1 4.21Å; F105-F226 HydrophobicContact CE1-CD2 4.11Å; F105-F226 AromaticContact CZ-CD2 3.62Å; F105-F226 HydrophobicContact CZ-CD2 3.62Å; F105-F226 AromaticContact CZ-CE2 3.85Å; F105-F226 HydrophobicContact CZ-CE2 3.85Å
106Y94.6Very high91.4Very high52 Ų5270.5 Ų70.520%0.20439%0.388CS..Hα-helixtrans-61.8-44.3173.8173.2-101.9000112.3G102 Y103 P104 W108 L109 V110 I221 V222 K225G102-Y106 WeakPolarHBondContact O-CB 3.47Å; G102-Y106 PolarHBondContact O-N 3.43Å; Y103-Y106 WeakPolarHBondContact O-CB 3.44Å; Y103-Y106 PolarHBondContact O-N 3.24Å; Y103-Y106 VanDerWaalsContact O-N 3.16Å; P104-Y106 PolarHBondContact O-N 3.07Å; Y106-W108 VanDerWaalsContact C-N 3.28Å; Y106-W108 PolarHBondContact O-N 3.45Å; Y106-L109 PolarHBondContact O-N 3.08Å; Y106-V110 HydrophobicContact CD1-CG2 4.38Å; Y106-V110 HydrophobicContact CD2-CG2 4.32Å; Y106-V110 HydrophobicContact CE1-CG2 3.88Å; Y106-V110 HydrophobicContact CE2-CG2 3.81Å; Y106-V110 WeakPolarHBondContact O-CG2 3.17Å; Y106-V110 PolarHBondContact O-N 2.7Å; Y106-I221 HydrophobicContact CE2-CG2 3.95Å; Y106-V222 HydrophobicContact CD2-CG2 4.12Å; Y106-V222 HydrophobicContact CG-CG2 4.4Å; Y106-K225 HydrophobicContact CE2-CB 4.29Å; Y106-K225 HydrophobicContact CE2-CG 4.49Å
107L94Very high90.8Very high30 Ų3068.7 Ų68.716%0.15738%0.378CS..Hα-helixtrans-60-40.2175.5-70.2-179.9000111.8Y103 P104 V110 S111 L116 P122Y103-L107 HydrophobicContact CD1-CD1 4.19Å; Y103-L107 HydrophobicContact CE1-CD1 3.56Å; Y103-L107 HydrophobicContact CE1-CG 4.14Å; Y103-L107 HydrophobicContact CE2-CD1 4.46Å; Y103-L107 HydrophobicContact CE2-CD2 4.23Å; Y103-L107 HydrophobicContact CE2-CG 4.18Å; Y103-L107 PolarHBondContact O-N 3.2Å; P104-L107 PolarHBondContact O-N 3.48Å; L107-V110 PolarHBondContact O-N 2.79Å; L107-S111 VanDerWaalsContact O-CB 3.27Å; L107-S111 WeakPolarHBondContact O-CB 3.39Å; L107-S111 PolarHBondContact O-N 3.49Å; L107-L116 HydrophobicContact CD2-CD1 3.95Å; L107-P122 HydrophobicContact CD1-CB 4.24Å; L107-P122 HydrophobicContact CD1-CG 3.92Å
108W93.2Very high90.1Very high136 Ų13674.6 Ų74.652%0.51540%0.396SS..Hα-helixtrans-61.5-46.3174.8173.373.4000111.8P104 F105 Y106 V110 S111 S112 F230P104-W108 WeakPolarHBondContact O-CB 3.28Å; P104-W108 PolarHBondContact O-N 3.38Å; F105-W108 AromaticContact CD2-CE3 3.86Å; F105-W108 HydrophobicContact CD2-CE3 3.86Å; F105-W108 HydrophobicContact CD2-CZ3 4.25Å; F105-W108 AromaticContact CE2-CE3 3.71Å; F105-W108 HydrophobicContact CE2-CE3 3.71Å; F105-W108 AromaticContact CE2-CZ3 3.63Å; F105-W108 HydrophobicContact CE2-CZ3 3.63Å; F105-W108 HydrophobicContact CZ-CZ3 4.38Å; F105-W108 WeakPolarHBondContact O-CB 3.2Å; F105-W108 PolarHBondContact O-N 2.83Å; Y106-W108 VanDerWaalsContact C-N 3.28Å; Y106-W108 PolarHBondContact O-N 3.45Å; W108-V110 PolarHBondContact O-N 3.2Å; W108-S111 PolarHBondContact O-N 2.99Å; W108-S112 PolarHBondContact O-N 3.04Å; W108-F230 HydrophobicContact CH2-CE2 4.18Å; W108-F230 HydrophobicContact CH2-CZ 4.08Å; W108-F230 HydrophobicContact CZ3-CE2 4.28Å
109L93.5Very high89.5Confident1 Ų178.1 Ų78.11%0.00541%0.405CS..Hα-helixtrans-60.7-42176.6-69.6172.2000112.7F105 Y106 V222 K225 F226 C229 F230F105-L109 HydrophobicContact CD1-CD1 3.95Å; F105-L109 HydrophobicContact CE1-CD1 3.51Å; F105-L109 HydrophobicContact CE1-CG 4.22Å; F105-L109 HydrophobicContact CE2-CG 4.47Å; F105-L109 HydrophobicContact CZ-CD1 3.88Å; F105-L109 HydrophobicContact CZ-CD2 4.24Å; F105-L109 HydrophobicContact CZ-CG 4.18Å; F105-L109 WeakPolarHBondContact O-CG 3.36Å; F105-L109 PolarHBondContact O-N 3.37Å; Y106-L109 PolarHBondContact O-N 3.08Å; L109-V222 HydrophobicContact CD1-CG1 4.5Å; L109-K225 HydrophobicContact CB-CG 4.08Å; L109-F226 HydrophobicContact CD1-CB 3.82Å; L109-F226 HydrophobicContact CD1-CD2 4.12Å; L109-F226 HydrophobicContact CD1-CG 4.49Å; L109-F226 HydrophobicContact CD2-CD2 3.89Å; L109-C229 HydrophobicContact CD2-CB 4.4Å; L109-F230 HydrophobicContact CD2-CD2 4.44Å; L109-F230 HydrophobicContact CD2-CE2 3.9Å
110V91.7Very high89Confident18 Ų1876.5 Ų76.511%0.10940%0.399CS..Hα-helixtrans-67.6-41.4177.6173.70000111Y106 L107 W108 S112 L116 P117 M120 K225Y106-V110 HydrophobicContact CD1-CG2 4.38Å; Y106-V110 HydrophobicContact CD2-CG2 4.32Å; Y106-V110 HydrophobicContact CE1-CG2 3.88Å; Y106-V110 HydrophobicContact CE2-CG2 3.81Å; Y106-V110 WeakPolarHBondContact O-CG2 3.17Å; Y106-V110 PolarHBondContact O-N 2.7Å; L107-V110 PolarHBondContact O-N 2.79Å; W108-V110 PolarHBondContact O-N 3.2Å; V110-S112 VanDerWaalsContact C-N 3.3Å; V110-S112 PolarHBondContact O-N 2.93Å; V110-L116 HydrophobicContact CG1-CD1 4.42Å; V110-P117 HydrophobicContact CG1-CG 4.31Å; V110-M120 HydrophobicContact CG1-CE 4.42Å; V110-M120 HydrophobicContact CG1-SD 3.91Å; V110-K225 HydrophobicContact CG2-CG 4.28Å
111S90.3Very high88.7Confident51 Ų5178.6 Ų78.636%0.35740%0.397SS..Hα-helixtrans-73.8-18.6-178.3-171.40000113.9L107 W108 N113 G115 L116L107-S111 VanDerWaalsContact O-CB 3.27Å; L107-S111 WeakPolarHBondContact O-CB 3.39Å; L107-S111 PolarHBondContact O-N 3.49Å; W108-S111 PolarHBondContact O-N 2.99Å; S111-N113 VanDerWaalsContact C-N 3.31Å; S111-N113 PolarHBondContact O-N 2.84Å; S111-G115 VanDerWaalsContact O-CA 3.31Å; S111-G115 WeakPolarHBondContact O-CA 3.48Å; S111-G115 PolarHBondContact O-N 3.21Å; S111-G115 VanDerWaalsContact O-N 3.13Å; S111-L116 PolarHBondContact OG-N 3.23Å
112S85.2Confident88.4Confident69 Ų6975.5 Ų75.548%0.48338%0.384SS..Hα-helixtrans-67.2-27.5-172.7-170.10000114.1W108 V110W108-S112 PolarHBondContact O-N 3.04Å; V110-S112 VanDerWaalsContact C-N 3.3Å; V110-S112 PolarHBondContact O-N 2.93Å
113N76.1Confident88.1Confident96 Ų9680.2 Ų80.251%0.51340%0.402SS..Hα-helixtrans-95.1-52.5-176.2-73-6000112.5S111S111-N113 VanDerWaalsContact C-N 3.31Å; S111-N113 PolarHBondContact O-N 2.84Å
114D80.5Confident88Confident161 Ų16183.4 Ų83.486%0.86142%0.415SS*.Hα-helixtrans-124.410.4-170.5-60.8-52.5000113.4
115G83.1Confident87.9Confident31 Ų3184.2 Ų84.232%0.3241%0.412SS..  trans72.7169.2-165.800000112.4S111 P117S111-G115 VanDerWaalsContact O-CA 3.31Å; S111-G115 WeakPolarHBondContact O-CA 3.48Å; S111-G115 PolarHBondContact O-N 3.21Å; S111-G115 VanDerWaalsContact O-N 3.13Å; G115-P117 WeakPolarHBondContact O-CD 3.39Å
116L83.9Confident87.7Confident68 Ų6886.8 Ų86.836%0.35643%0.429SS..  trans-69123.7178.9-17168.3000109.9L107 V110 S111 R118 M120 P122L107-L116 HydrophobicContact CD2-CD1 3.95Å; V110-L116 HydrophobicContact CG1-CD1 4.42Å; S111-L116 PolarHBondContact OG-N 3.23Å; L116-R118 PolarHBondContact O-N 3.5Å; L116-M120 HydrophobicContact CD1-CB 3.87Å; L116-M120 HydrophobicContact CD1-SD 4Å; L116-M120 HydrophobicContact CG-CB 4.08Å; L116-P122 HydrophobicContact CD2-CG 4.46Å
117P84.3Confident87.6Confident42 Ų4290.2 Ų90.227%0.27345%0.445SS..  trans-58.8135.9177.2-2433.7000111.2V110 G115 H119 M120V110-P117 HydrophobicContact CG1-CG 4.31Å; G115-P117 WeakPolarHBondContact O-CD 3.39Å; P117-H119 WeakPolarHBondContact CB-CE1 3.31Å; P117-H119 WeakPolarHBondContact CB-ND1 3.47Å; P117-H119 PolarHBondContact O-N 3.12Å; P117-M120 HydrophobicContact CB-CG 4.44Å; P117-M120 HydrophobicContact CG-SD 4.29Å; P117-M120 WeakPolarHBondContact O-CB 3.25Å; P117-M120 PolarHBondContact O-N 3.42Å
118R81.6Confident87.6Confident246 Ų24691.6 Ų91.693%0.92845%0.454SS*.THydrogen-bonded Turntrans-55.6-23.8-176.4-68.5-176-179.6176.30.6114.7L116L116-R118 PolarHBondContact O-N 3.5Å
119H82.7Confident87.6Confident147 Ų14786.7 Ų86.768%0.68145%0.446SS*.THydrogen-bonded Turntrans-79-20.1177.663-93.2000113.1P117 K121P117-H119 WeakPolarHBondContact CB-CE1 3.31Å; P117-H119 WeakPolarHBondContact CB-ND1 3.47Å; P117-H119 PolarHBondContact O-N 3.12Å; H119-K121 PolarHBondContact O-N 2.96Å
120M85Confident87.6Confident37 Ų3792.7 Ų92.718%0.18248%0.478CS..  trans-82.6100.4175.6-73.3-168.9172.700109.9V110 L116 P117V110-M120 HydrophobicContact CG1-CE 4.42Å; V110-M120 HydrophobicContact CG1-SD 3.91Å; L116-M120 HydrophobicContact CD1-CB 3.87Å; L116-M120 HydrophobicContact CD1-SD 4Å; L116-M120 HydrophobicContact CG-CB 4.08Å; P117-M120 HydrophobicContact CB-CG 4.44Å; P117-M120 HydrophobicContact CG-SD 4.29Å; P117-M120 WeakPolarHBondContact O-CB 3.25Å; P117-M120 PolarHBondContact O-N 3.42Å
121K88.2Confident87.8Confident107 Ų10796.1 Ų96.147%0.46549%0.493SS..  trans-107.8110.1174.5-74.3171.2172.7-175.20109.1H119 I123 Y124 H125H119-K121 PolarHBondContact O-N 2.96Å; K121-I123 PolarHBondContact O-N 3.42Å; K121-I123 VanDerWaalsContact O-N 3.07Å; K121-Y124 HydrophobicContact CB-CD2 3.58Å; K121-Y124 HydrophobicContact CB-CE2 3.99Å; K121-Y124 HydrophobicContact CB-CG 4.45Å; K121-Y124 HydrophobicContact CD-CD2 3.82Å; K121-Y124 HydrophobicContact CD-CE2 3.34Å; K121-Y124 HydrophobicContact CG-CD2 4.35Å; K121-Y124 HydrophobicContact CG-CE2 4.32Å; K121-Y124 PolarHBondContact O-N 3.08Å; K121-H125 PolarHBondContact O-CD2 3.45Å
122P89.6Confident87.9Confident53 Ų53100.5 Ų100.534%0.34450%0.503SS..Hα-helixtrans-54.2-33.4-174.5-30.736.6000115.3Y103 L107 L116 Y124 H125 L126Y103-P122 HydrophobicContact CE1-CB 4.23Å; Y103-P122 VanDerWaalsContact OH-CA 3.26Å; Y103-P122 WeakPolarHBondContact OH-CA 3.39Å; L107-P122 HydrophobicContact CD1-CB 4.24Å; L107-P122 HydrophobicContact CD1-CG 3.92Å; L116-P122 HydrophobicContact CD2-CG 4.46Å; P122-Y124 VanDerWaalsContact C-N 3.29Å; P122-Y124 PolarHBondContact O-N 3.47Å; P122-H125 PolarHBondContact O-N 3.45Å; P122-L126 PolarHBondContact O-N 3.2Å
123I89.3Confident88.4Confident124 Ų124100 Ų10064%0.63650%0.497SS*.Hα-helixtrans-62.1-34179-165.1155.1000113.4K121 K127K121-I123 PolarHBondContact O-N 3.42Å; K121-I123 VanDerWaalsContact O-N 3.07Å; I123-K127 WeakPolarHBondContact O-CB 3.34Å; I123-K127 PolarHBondContact O-N 2.86Å
124Y92Very high89.4Confident139 Ų13997.1 Ų97.155%0.54549%0.491SS..Hα-helixtrans-73.7-38.4176.7-64.5-46000111.2K121 P122 L126 K127 T128K121-Y124 HydrophobicContact CB-CD2 3.58Å; K121-Y124 HydrophobicContact CB-CE2 3.99Å; K121-Y124 HydrophobicContact CB-CG 4.45Å; K121-Y124 HydrophobicContact CD-CD2 3.82Å; K121-Y124 HydrophobicContact CD-CE2 3.34Å; K121-Y124 HydrophobicContact CG-CD2 4.35Å; K121-Y124 HydrophobicContact CG-CE2 4.32Å; K121-Y124 PolarHBondContact O-N 3.08Å; P122-Y124 VanDerWaalsContact C-N 3.29Å; P122-Y124 PolarHBondContact O-N 3.47Å; Y124-L126 VanDerWaalsContact C-N 3.35Å; Y124-L126 PolarHBondContact O-N 3.34Å; Y124-K127 PolarHBondContact O-N 3.44Å; Y124-T128 WeakPolarHBondContact O-CB 3.45Å; Y124-T128 PolarHBondContact O-N 3.29Å; Y124-T128 PolarHBondContact O-OG1 3.2Å
125H91.7Very high90.1Very high86 Ų8696.2 Ų96.240%0.39848%0.476SS..Hα-helixtrans-62.7-42.4174.2-64.2-71.5000111.8Y103 K121 P122 T128 G129Y103-H125 HydrophobicContact CE2-CB 4.05Å; Y103-H125 WeakPolarHBondContact OH-CB 3.41Å; Y103-H125 PolarHBondContact OH-CD2 2.86Å; K121-H125 PolarHBondContact O-CD2 3.45Å; P122-H125 PolarHBondContact O-N 3.45Å; H125-T128 PolarHBondContact O-N 3.33Å; H125-G129 PolarHBondContact O-N 3.07Å
126L91.3Very high90.7Very high128 Ų12895.8 Ų95.867%0.6747%0.467SS*.Hα-helixtrans-61.8-46.7175.7-178.663.6000111.6P122 Y124 G129 L130P122-L126 PolarHBondContact O-N 3.2Å; Y124-L126 VanDerWaalsContact C-N 3.35Å; Y124-L126 PolarHBondContact O-N 3.34Å; L126-G129 PolarHBondContact O-N 2.94Å; L126-L130 WeakPolarHBondContact O-CB 3.45Å; L126-L130 PolarHBondContact O-N 3.05Å
127K93.3Very high91.3Very high125 Ų12598.9 Ų98.954%0.54348%0.475SS..Hα-helixtrans-59.8-47.5177.1-177.8178.8176.2-179.20111.6I123 Y124 L130 M131I123-K127 WeakPolarHBondContact O-CB 3.34Å; I123-K127 PolarHBondContact O-N 2.86Å; Y124-K127 PolarHBondContact O-N 3.44Å; K127-L130 PolarHBondContact O-N 2.99Å; K127-M131 HydrophobicContact CD-CE 4.47Å; K127-M131 VanDerWaalsContact CE-CE 3.45Å; K127-M131 HydrophobicContact CG-CE 4.22Å; K127-M131 HydrophobicContact CG-SD 4.38Å; K127-M131 WeakPolarHBondContact O-CG 3.46Å; K127-M131 PolarHBondContact O-N 3.43Å
128T93.1Very high91.9Very high58 Ų58100.2 Ų100.236%0.35649%0.49SS..Hα-helixtrans-63.8-42.2178.2-60.80000111.5Y124 H125 M131 Y132Y124-T128 WeakPolarHBondContact O-CB 3.45Å; Y124-T128 PolarHBondContact O-N 3.29Å; Y124-T128 PolarHBondContact O-OG1 3.2Å; H125-T128 PolarHBondContact O-N 3.33Å; T128-M131 WeakPolarHBondContact O-CB 3.2Å; T128-M131 PolarHBondContact O-N 2.78Å; T128-Y132 HydrophobicContact CG2-CD2 3.98Å; T128-Y132 HydrophobicContact CG2-CE1 4.39Å; T128-Y132 HydrophobicContact CG2-CE2 3.45Å; T128-Y132 VanDerWaalsContact CG2-CE2 3.45Å; T128-Y132 PolarHBondContact O-N 3.43Å
129G92.7Very high92.6Very high33 Ų3393 Ų9334%0.3447%0.469SS..Hα-helixtrans-59.8-46.7175.600000112.2H125 L126 M131 Y132 V133H125-G129 PolarHBondContact O-N 3.07Å; L126-G129 PolarHBondContact O-N 2.94Å; G129-M131 VanDerWaalsContact C-N 3.33Å; G129-M131 PolarHBondContact O-N 2.92Å; G129-Y132 PolarHBondContact O-N 2.81Å; G129-V133 WeakPolarHBondContact O-CG2 3.43Å; G129-V133 PolarHBondContact O-N 3.31Å
130L93.6Very high93.3Very high128 Ų12886 Ų8667%0.6744%0.436SS*.Hα-helixtrans-62.4-39.7176.9-175.362.8000112.2L126 K127 V133 G134L126-L130 WeakPolarHBondContact O-CB 3.45Å; L126-L130 PolarHBondContact O-N 3.05Å; K127-L130 PolarHBondContact O-N 2.99Å; L130-V133 PolarHBondContact O-N 3.01Å; L130-G134 PolarHBondContact O-N 3.5Å
131M95.8Very high93.8Very high89 Ų8987 Ų8744%0.43845%0.445SS..Hα-helixtrans-61.4-45.5174-74.5176.7165.800111.7K127 T128 G129 G134 Y135K127-M131 HydrophobicContact CD-CE 4.47Å; K127-M131 VanDerWaalsContact CE-CE 3.45Å; K127-M131 HydrophobicContact CG-CE 4.22Å; K127-M131 HydrophobicContact CG-SD 4.38Å; K127-M131 WeakPolarHBondContact O-CG 3.46Å; K127-M131 PolarHBondContact O-N 3.43Å; T128-M131 WeakPolarHBondContact O-CB 3.2Å; T128-M131 PolarHBondContact O-N 2.78Å; G129-M131 VanDerWaalsContact C-N 3.33Å; G129-M131 PolarHBondContact O-N 2.92Å; M131-G134 PolarHBondContact O-N 3.16Å; M131-Y135 HydrophobicContact CB-CE2 4.32Å; M131-Y135 WeakPolarHBondContact O-CD2 3.5Å; M131-Y135 PolarHBondContact O-N 2.89Å
132Y93.5Very high94.2Very high143 Ų14386.1 Ų86.156%0.56145%0.449SS*.Hα-helixtrans-64.3-41.4177.4-68.5-26.4000112.7T128 G129 G134 Y135 T136T128-Y132 HydrophobicContact CG2-CD2 3.98Å; T128-Y132 HydrophobicContact CG2-CE1 4.39Å; T128-Y132 HydrophobicContact CG2-CE2 3.45Å; T128-Y132 VanDerWaalsContact CG2-CE2 3.45Å; T128-Y132 PolarHBondContact O-N 3.43Å; G129-Y132 PolarHBondContact O-N 2.81Å; Y132-G134 VanDerWaalsContact C-N 3.3Å; Y132-G134 PolarHBondContact O-N 2.88Å; Y132-Y135 HydrophobicContact CD1-CD2 4.2Å; Y132-Y135 PolarHBondContact O-N 2.94Å; Y132-T136 WeakPolarHBondContact O-CB 3.04Å; Y132-T136 PolarHBondContact O-N 3.39Å; Y132-T136 PolarHBondContact O-OG1 3.34Å
133V95.5Very high94.4Very high58 Ų5884.4 Ų84.435%0.35244%0.438SS..Hα-helixtrans-58.4-44.5173.61730000110.8G129 L130 T136 Y137 F206 I210G129-V133 WeakPolarHBondContact O-CG2 3.43Å; G129-V133 PolarHBondContact O-N 3.31Å; L130-V133 PolarHBondContact O-N 3.01Å; V133-T136 PolarHBondContact O-N 3.29Å; V133-Y137 WeakPolarHBondContact O-CB 3.09Å; V133-Y137 PolarHBondContact O-N 3.43Å; V133-F206 HydrophobicContact CG1-CE2 4.27Å; V133-F206 HydrophobicContact CG1-CZ 3.92Å; V133-I210 HydrophobicContact CG2-CD1 4.2Å
134G96.6Very high94.7Very high37 Ų3779.9 Ų79.938%0.38141%0.414SS..Hα-helixtrans-61.5-44.417600000113.2L130 M131 Y132 Y137 A138L130-G134 PolarHBondContact O-N 3.5Å; M131-G134 PolarHBondContact O-N 3.16Å; Y132-G134 VanDerWaalsContact C-N 3.3Å; Y132-G134 PolarHBondContact O-N 2.88Å; G134-Y137 PolarHBondContact O-N 3.28Å; G134-A138 WeakPolarHBondContact O-CB 3.43Å; G134-A138 PolarHBondContact O-N 2.99Å
135Y95.8Very high94.8Very high141 Ų14177.5 Ų77.555%0.55342%0.415SS*.Hα-helixtrans-65.9-42.5176.5-65-34.3000112.6M131 Y132 Y137 A138 I139M131-Y135 HydrophobicContact CB-CE2 4.32Å; M131-Y135 WeakPolarHBondContact O-CD2 3.5Å; M131-Y135 PolarHBondContact O-N 2.89Å; Y132-Y135 HydrophobicContact CD1-CD2 4.2Å; Y132-Y135 PolarHBondContact O-N 2.94Å; Y135-Y137 VanDerWaalsContact C-N 3.31Å; Y135-Y137 PolarHBondContact O-N 2.9Å; Y135-A138 PolarHBondContact O-N 2.95Å; Y135-I139 WeakPolarHBondContact O-CB 3.43Å; Y135-I139 WeakPolarHBondContact O-CG1 3.09Å; Y135-I139 PolarHBondContact O-N 3.34Å
136T95.8Very high94.7Very high23 Ų2379 Ų7914%0.14142%0.424CS..Hα-helixtrans-58.8-46.6174.9-570000109.9Y132 V133 A138 I139 S140 F206 L209 I210Y132-T136 WeakPolarHBondContact O-CB 3.04Å; Y132-T136 PolarHBondContact O-N 3.39Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; V133-T136 PolarHBondContact O-N 3.29Å; T136-A138 PolarHBondContact O-N 3.22Å; T136-I139 PolarHBondContact O-N 3.48Å; T136-S140 WeakPolarHBondContact O-CB 3.39Å; T136-S140 PolarHBondContact O-N 2.95Å; T136-S140 PolarHBondContact O-OG 3.43Å; T136-F206 HydrophobicContact CG2-CD2 3.95Å; T136-F206 HydrophobicContact CG2-CE2 4.21Å; T136-L209 HydrophobicContact CG2-CB 3.47Å; T136-L209 VanDerWaalsContact CG2-CB 3.47Å; T136-L209 HydrophobicContact CG2-CD1 3.98Å; T136-L209 HydrophobicContact CG2-CG 4.35Å; T136-I210 HydrophobicContact CG2-CD1 4.17Å
137Y97Very high94.7Very high132 Ų13274 Ų7452%0.51840%0.399SS..Hα-helixtrans-59.9-45.8177.2-175-101.8000112.4V133 G134 Y135 I139 S140 F206V133-Y137 WeakPolarHBondContact O-CB 3.09Å; V133-Y137 PolarHBondContact O-N 3.43Å; G134-Y137 PolarHBondContact O-N 3.28Å; Y135-Y137 VanDerWaalsContact C-N 3.31Å; Y135-Y137 PolarHBondContact O-N 2.9Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 3.28Å; Y137-S140 PolarHBondContact O-N 3.4Å; Y137-F206 VanDerWaalsContact CA-CD2 3.45Å; Y137-F206 HydrophobicContact CD2-CB 4.39Å; Y137-F206 HydrophobicContact CD2-CD1 4.06Å; Y137-F206 AromaticContact CD2-CD2 3.96Å; Y137-F206 HydrophobicContact CD2-CD2 3.96Å; Y137-F206 HydrophobicContact CD2-CE1 4.33Å; Y137-F206 HydrophobicContact CD2-CE2 4.23Å; Y137-F206 AromaticContact CD2-CG 3.86Å; Y137-F206 HydrophobicContact CD2-CG 3.86Å; Y137-F206 HydrophobicContact CD2-CZ 4.4Å; Y137-F206 HydrophobicContact CG-CD2 4.39Å; Y137-F206 HydrophobicContact CG-CE2 4.47Å
138A96.9Very high94.6Very high71 Ų7170.3 Ų70.359%0.58739%0.393SS*.Hα-helixtrans-63.2-37.1179.200000113.2G134 Y135 T136G134-A138 WeakPolarHBondContact O-CB 3.43Å; G134-A138 PolarHBondContact O-N 2.99Å; Y135-A138 PolarHBondContact O-N 2.95Å; T136-A138 PolarHBondContact O-N 3.22Å
139I96.1Very high94.6Very high93 Ų9374.3 Ų74.348%0.47742%0.417SS..Hα-helixtrans-85.9-19.7-177.9-65.1171.1000112Y135 T136 Y137 P141 V142 C143Y135-I139 WeakPolarHBondContact O-CB 3.43Å; Y135-I139 WeakPolarHBondContact O-CG1 3.09Å; Y135-I139 PolarHBondContact O-N 3.34Å; T136-I139 PolarHBondContact O-N 3.48Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 3.28Å; I139-P141 VanDerWaalsContact C-CD 3.47Å; I139-V142 WeakPolarHBondContact O-CA 3.47Å; I139-V142 WeakPolarHBondContact O-CB 3.3Å; I139-V142 PolarHBondContact O-N 2.83Å; I139-C143 PolarHBondContact O-N 2.91Å
140S96.7Very high94.7Very high1 Ų175.8 Ų75.81%0.00742%0.419CS..Hα-helixtrans-51.1-44.7-174.5-67.50000114.7T136 Y137 V142 C143 Q144 F206T136-S140 WeakPolarHBondContact O-CB 3.39Å; T136-S140 PolarHBondContact O-N 2.95Å; T136-S140 PolarHBondContact O-OG 3.43Å; Y137-S140 PolarHBondContact O-N 3.4Å; S140-V142 VanDerWaalsContact C-N 3.29Å; S140-V142 PolarHBondContact O-N 3.25Å; S140-C143 PolarHBondContact O-N 3.24Å; S140-Q144 WeakPolarHBondContact O-CB 3.5Å; S140-Q144 PolarHBondContact O-N 3.02Å; S140-F206 WeakPolarHBondContact OG-CA 3.18Å; S140-F206 VanDerWaalsContact OG-CB 3.29Å; S140-F206 WeakPolarHBondContact OG-CB 3.43Å
141P96.3Very high94.7Very high57 Ų5772.7 Ų72.737%0.3741%0.409SS..Hα-helixtrans-61.1-36.3176.3-21.332.5000113.1I139 Q144 T145I139-P141 VanDerWaalsContact C-CD 3.47Å; P141-Q144 PolarHBondContact O-N 2.95Å; P141-T145 WeakPolarHBondContact O-CG2 3.5Å; P141-T145 PolarHBondContact O-N 3.45Å; P141-T145 VanDerWaalsContact O-N 3.08Å; P141-T145 PolarHBondContact O-OG1 2.95Å
142V95.9Very high94.7Very high89 Ų8971.2 Ų71.254%0.53940%0.404SS..Hα-helixtrans-69-43.8177.7-177.50000110.4I139 S140 Q144 T145 L146I139-V142 WeakPolarHBondContact O-CA 3.47Å; I139-V142 WeakPolarHBondContact O-CB 3.3Å; I139-V142 PolarHBondContact O-N 2.83Å; S140-V142 VanDerWaalsContact C-N 3.29Å; S140-V142 PolarHBondContact O-N 3.25Å; V142-Q144 VanDerWaalsContact C-N 3.27Å; V142-Q144 PolarHBondContact O-N 2.97Å; V142-T145 PolarHBondContact O-N 3.37Å; V142-T145 PolarHBondContact O-OG1 3.32Å; V142-L146 WeakPolarHBondContact O-CB 3.36Å; V142-L146 PolarHBondContact O-N 2.96Å
143C93.9Very high94.8Very high17 Ų1770.6 Ų70.612%0.11541%0.411CS..Hα-helixtrans-61.7-37.2175.1-74.30000112.4I139 S140 I196 L209I139-C143 PolarHBondContact O-N 2.91Å; S140-C143 PolarHBondContact O-N 3.24Å; C143-I196 HydrophobicContact CB-CD1 3.9Å; C143-L209 HydrophobicContact CB-CD1 4.18Å
144Q94.3Very high94.8Very high29 Ų2970.5 Ų70.514%0.13641%0.413CS..Hα-helixtrans-65.7-40.6176.4-169.8-162.27.800111.6S140 P141 V142 S197 L199 P200 S201 S202 A205S140-Q144 WeakPolarHBondContact O-CB 3.5Å; S140-Q144 PolarHBondContact O-N 3.02Å; P141-Q144 PolarHBondContact O-N 2.95Å; V142-Q144 VanDerWaalsContact C-N 3.27Å; V142-Q144 PolarHBondContact O-N 2.97Å; Q144-S197 WeakPolarHBondContact O-CA 3.28Å; Q144-S197 VanDerWaalsContact O-CB 3.28Å; Q144-S197 WeakPolarHBondContact O-CB 3.26Å; Q144-L199 PolarHBondContact NE2-O 3.24Å; Q144-P200 PolarHBondContact NE2-O 2.89Å; Q144-S201 VanDerWaalsContact NE2-C 3.27Å; Q144-S202 VanDerWaalsContact OE1-CA 3.28Å; Q144-A205 HydrophobicContact CB-CB 3.99Å; Q144-A205 HydrophobicContact CG-CB 4.23Å
145T94.7Very high94.7Very high90 Ų9068.8 Ų68.855%0.55240%0.395SS*.Hα-helixtrans-86.3-19.8-17557.30000114.3P141 V142 T147 A148P141-T145 WeakPolarHBondContact O-CG2 3.5Å; P141-T145 PolarHBondContact O-N 3.45Å; P141-T145 VanDerWaalsContact O-N 3.08Å; P141-T145 PolarHBondContact O-OG1 2.95Å; V142-T145 PolarHBondContact O-N 3.37Å; V142-T145 PolarHBondContact O-OG1 3.32Å; T145-T147 PolarHBondContact O-N 3.46Å; T145-A148 WeakPolarHBondContact O-CB 3.33Å; T145-A148 PolarHBondContact O-N 3.29Å; T145-A148 VanDerWaalsContact O-N 3.1Å
146L90.9Very high94.7Very high116 Ų11666.5 Ų66.561%0.60739%0.391SS*.Hα-helixtrans-55.6-44.4-170.1-172.669.1000114.2V142 I193V142-L146 WeakPolarHBondContact O-CB 3.36Å; V142-L146 PolarHBondContact O-N 2.96Å; L146-I193 HydrophobicContact CD2-CG2 4.23Å
147T91.4Very high94.8Very high23 Ų2368.1 Ų68.114%0.14141%0.407CS..THydrogen-bonded Turntrans-109.116-179.752.40000112.2T145 T149 V150 I155 S197 R198T145-T147 PolarHBondContact O-N 3.46Å; T147-T149 VanDerWaalsContact C-N 3.27Å; T147-T149 PolarHBondContact O-N 3.37Å; T147-V150 PolarHBondContact O-N 3.37Å; T147-I155 WeakPolarHBondContact O-CD1 3.42Å; T147-S197 WeakPolarHBondContact OG1-CB 3.48Å; T147-S197 PolarHBondContact OG1-OG 2.9Å; T147-R198 PolarHBondContact O-NH2 2.89Å
148A90Very high94.8Very high49 Ų4964.4 Ų64.441%0.40540%0.398SS..THydrogen-bonded Turntrans-56.1-37.1-179.200000113.3T145 V150 R198T145-A148 WeakPolarHBondContact O-CB 3.33Å; T145-A148 PolarHBondContact O-N 3.29Å; T145-A148 VanDerWaalsContact O-N 3.1Å; A148-V150 PolarHBondContact O-N 2.83Å; A148-R198 PolarHBondContact O-NH2 2.61Å
149T92.7Very high94.8Very high141 Ų14161.1 Ų61.187%0.86537%0.371SS*.THydrogen-bonded Turntrans-80.6-12.4-17655.40000114.6T147T147-T149 VanDerWaalsContact C-N 3.27Å; T147-T149 PolarHBondContact O-N 3.37Å
150V94.4Very high94.9Very high65 Ų6560.1 Ų60.139%0.39437%0.372SS..SBendtrans-80.5146.1178.1-178.20000109.8T147 A148 I155 R198T147-V150 PolarHBondContact O-N 3.37Å; A148-V150 PolarHBondContact O-N 2.83Å; V150-I155 HydrophobicContact CB-CD1 4.09Å; V150-I155 HydrophobicContact CB-CG1 4.08Å; V150-I155 HydrophobicContact CG1-CD1 4.46Å; V150-I155 HydrophobicContact CG1-CG1 3.97Å; V150-R198 PolarHBondContact O-NH1 3.16Å
151S95.1Very high94.9Very high63 Ų6364.7 Ų64.744%0.44140%0.396SS..  trans-61.2143.3177.166.30000111.6D153 S154 I155S151-D153 VanDerWaalsContact C-N 3.28Å; S151-D153 PolarHBondContact O-N 2.83Å; S151-S154 PolarHBondContact O-N 3.36Å; S151-S154 WeakPolarHBondContact OG-CB 3.32Å; S151-S154 PolarHBondContact OG-OG 3.16Å; S151-I155 WeakPolarHBondContact O-CG1 3.45Å; S151-I155 PolarHBondContact O-N 3.42Å
152T94.6Very high95Very high57 Ų5764.7 Ų64.735%0.3539%0.392SS..Hα-helixtrans-60.2-38.2-178.4-57.90000112S154 I155 I156 R198T152-S154 PolarHBondContact O-N 2.91Å; T152-I155 PolarHBondContact O-N 3.04Å; T152-I156 HydrophobicContact CG2-CD1 3.85Å; T152-I156 HydrophobicContact CG2-CG1 4.39Å; T152-I156 WeakPolarHBondContact O-CG1 3.41Å; T152-I156 PolarHBondContact O-N 3.26Å; T152-R198 PolarHBondContact OG1-NH1 3.13Å
153D95.5Very high95.1Very high131 Ų13161 Ų6170%0.70137%0.368SS*.Hα-helixtrans-61-44.8177.5-57.5-31.6000111.7S151 I155 I156 A157S151-D153 VanDerWaalsContact C-N 3.28Å; S151-D153 PolarHBondContact O-N 2.83Å; D153-I155 VanDerWaalsContact C-N 3.33Å; D153-I155 PolarHBondContact O-N 2.87Å; D153-I156 PolarHBondContact O-N 2.91Å; D153-A157 WeakPolarHBondContact O-CB 3.28Å; D153-A157 PolarHBondContact O-N 3.42Å
154S95.9Very high95.3Very high55 Ų5566.3 Ų66.339%0.38539%0.39SS..Hα-helixtrans-63.7-39.7176.8-58.50000111.5S151 T152 A157 T158S151-S154 PolarHBondContact O-N 3.36Å; S151-S154 WeakPolarHBondContact OG-CB 3.32Å; S151-S154 PolarHBondContact OG-OG 3.16Å; T152-S154 PolarHBondContact O-N 2.91Å; S154-A157 PolarHBondContact O-N 3.44Å; S154-T158 WeakPolarHBondContact O-CB 3.41Å; S154-T158 VanDerWaalsContact O-CG2 3.28Å; S154-T158 WeakPolarHBondContact O-CG2 3.34Å; S154-T158 PolarHBondContact O-N 3.36Å; S154-T158 PolarHBondContact O-OG1 3.27Å
155I95.5Very high95.4Very high2 Ų266.6 Ų66.61%0.0139%0.393CS..Hα-helixtrans-65-44.3178.9-73.9169.5000111.6T147 V150 S151 T152 D153 A157 T158 A159 C194 R198T147-I155 WeakPolarHBondContact O-CD1 3.42Å; V150-I155 HydrophobicContact CB-CD1 4.09Å; V150-I155 HydrophobicContact CB-CG1 4.08Å; V150-I155 HydrophobicContact CG1-CD1 4.46Å; V150-I155 HydrophobicContact CG1-CG1 3.97Å; S151-I155 WeakPolarHBondContact O-CG1 3.45Å; S151-I155 PolarHBondContact O-N 3.42Å; T152-I155 PolarHBondContact O-N 3.04Å; D153-I155 VanDerWaalsContact C-N 3.33Å; D153-I155 PolarHBondContact O-N 2.87Å; I155-A157 VanDerWaalsContact C-N 3.34Å; I155-T158 WeakPolarHBondContact CA-OG1 3.24Å; I155-T158 PolarHBondContact O-N 3.02Å; I155-T158 PolarHBondContact O-OG1 3.24Å; I155-T158 VanDerWaalsContact O-OG1 3.08Å; I155-A159 WeakPolarHBondContact O-CB 3.49Å; I155-A159 PolarHBondContact O-N 3.49Å; I155-C194 HydrophobicContact CG2-CB 4.06Å; I155-C194 WeakPolarHBondContact CG2-O 3.44Å; I155-R198 HydrophobicContact CG2-CG 4.27Å
156I95.3Very high95.5Very high93 Ų9362.3 Ų62.348%0.47737%0.367SS..Hα-helixtrans-67.2-40.7178.5-64.9169.1000109.9T152 D153 S160T152-I156 HydrophobicContact CG2-CD1 3.85Å; T152-I156 HydrophobicContact CG2-CG1 4.39Å; T152-I156 WeakPolarHBondContact O-CG1 3.41Å; T152-I156 PolarHBondContact O-N 3.26Å; D153-I156 PolarHBondContact O-N 2.91Å; I156-S160 WeakPolarHBondContact O-CB 3.5Å; I156-S160 PolarHBondContact O-N 3.19Å; I156-S160 PolarHBondContact O-OG 3.36Å; I156-S160 VanDerWaalsContact O-OG 3.05Å
157A97.2Very high95.7Very high56 Ų5658.5 Ų58.546%0.46335%0.347SS..Hα-helixtrans-61.8-47.4175.200000112D153 S154 I155 S160 L161D153-A157 WeakPolarHBondContact O-CB 3.28Å; D153-A157 PolarHBondContact O-N 3.42Å; S154-A157 PolarHBondContact O-N 3.44Å; I155-A157 VanDerWaalsContact C-N 3.34Å; A157-S160 PolarHBondContact O-N 3.02Å; A157-S160 PolarHBondContact O-OG 2.83Å; A157-L161 WeakPolarHBondContact O-CB 3.46Å; A157-L161 PolarHBondContact O-N 3.12Å
158T96.6Very high95.8Very high55 Ų5560.9 Ų60.934%0.33736%0.361SS..Hα-helixtrans-68.7-39.8178.956.10000112.2S154 I155 L161 M162S154-T158 WeakPolarHBondContact O-CB 3.41Å; S154-T158 VanDerWaalsContact O-CG2 3.28Å; S154-T158 WeakPolarHBondContact O-CG2 3.34Å; S154-T158 PolarHBondContact O-N 3.36Å; S154-T158 PolarHBondContact O-OG1 3.27Å; I155-T158 WeakPolarHBondContact CA-OG1 3.24Å; I155-T158 PolarHBondContact O-N 3.02Å; I155-T158 PolarHBondContact O-OG1 3.24Å; I155-T158 VanDerWaalsContact O-OG1 3.08Å; T158-L161 PolarHBondContact O-N 2.74Å; T158-M162 VanDerWaalsContact O-CB 3.28Å; T158-M162 WeakPolarHBondContact O-CB 3.37Å; T158-M162 WeakPolarHBondContact O-CG 3.45Å; T158-M162 PolarHBondContact O-N 2.86Å
159A97.8Very high96Very high2 Ų261.3 Ų61.32%0.01735%0.354CS..Hα-helixtrans-63.7-43.7176.200000111.9I155 M162 F163 A191 C194 L195I155-A159 WeakPolarHBondContact O-CB 3.49Å; I155-A159 PolarHBondContact O-N 3.49Å; A159-M162 PolarHBondContact O-N 2.89Å; A159-F163 WeakPolarHBondContact O-CD2 3.44Å; A159-F163 PolarHBondContact O-N 2.95Å; A159-A191 HydrophobicContact CB-CB 4.29Å; A159-A191 WeakPolarHBondContact O-CB 3.49Å; A159-C194 HydrophobicContact CB-CB 4.25Å; A159-L195 HydrophobicContact CB-CD1 4.46Å; A159-L195 HydrophobicContact CB-CD2 3.89Å; A159-L195 HydrophobicContact CB-CG 3.83Å
160S97.3Very high95.9Very high71 Ų7156.6 Ų56.650%0.49732%0.321SS..Hα-helixtrans-63.3-43.1176.764.10000112.1I156 A157 M162 F163 F164I156-S160 WeakPolarHBondContact O-CB 3.5Å; I156-S160 PolarHBondContact O-N 3.19Å; I156-S160 PolarHBondContact O-OG 3.36Å; I156-S160 VanDerWaalsContact O-OG 3.05Å; A157-S160 PolarHBondContact O-N 3.02Å; A157-S160 PolarHBondContact O-OG 2.83Å; S160-M162 VanDerWaalsContact C-N 3.32Å; S160-M162 PolarHBondContact O-N 2.9Å; S160-F163 PolarHBondContact O-N 3.15Å; S160-F164 WeakPolarHBondContact O-CB 3.47Å; S160-F164 PolarHBondContact O-N 3.5Å
161L98.1Very high95.7Very high98 Ų9856 Ų5651%0.51332%0.315SS..Hα-helixtrans-60.1-43173.6179.265000111.5A157 T158 F164 V165A157-L161 WeakPolarHBondContact O-CB 3.46Å; A157-L161 PolarHBondContact O-N 3.12Å; T158-L161 PolarHBondContact O-N 2.74Å; L161-F164 CarbonylContact O-C 3.59Å; L161-F164 WeakPolarHBondContact O-CB 3.49Å; L161-F164 PolarHBondContact O-N 2.85Å; L161-V165 WeakPolarHBondContact O-CG2 3.32Å; L161-V165 PolarHBondContact O-N 2.96Å
162M97.9Very high95.5Very high57 Ų5755.4 Ų55.428%0.28130%0.304SS..Hα-helixtrans-75.4-33.6-175.4-70-79.2-176.100112.3T158 A159 S160 F164 V165 S166 A187 F190 A191T158-M162 VanDerWaalsContact O-CB 3.28Å; T158-M162 WeakPolarHBondContact O-CB 3.37Å; T158-M162 WeakPolarHBondContact O-CG 3.45Å; T158-M162 PolarHBondContact O-N 2.86Å; A159-M162 PolarHBondContact O-N 2.89Å; S160-M162 VanDerWaalsContact C-N 3.32Å; S160-M162 PolarHBondContact O-N 2.9Å; M162-F164 VanDerWaalsContact C-N 3.34Å; M162-V165 PolarHBondContact O-N 3.39Å; M162-S166 WeakPolarHBondContact O-CB 3.13Å; M162-S166 PolarHBondContact O-N 2.87Å; M162-A187 WeakPolarHBondContact O-CB 3.42Å; M162-F190 HydrophobicContact CB-CD1 4.03Å; M162-F190 HydrophobicContact CE-CD1 4.04Å; M162-F190 HydrophobicContact CE-CE1 3.93Å; M162-F190 HydrophobicContact CG-CD1 3.47Å; M162-F190 VanDerWaalsContact CG-CD1 3.47Å; M162-F190 HydrophobicContact CG-CE1 3.84Å; M162-F190 HydrophobicContact SD-CD1 3.92Å; M162-F190 HydrophobicContact SD-CE1 4.38Å; M162-A191 HydrophobicContact CB-CB 3.83Å
163F98.4Very high94.8Very high12 Ų1256 Ų565%0.05332%0.321CS..Hα-helixtrans-64-40.3165.3-77.7-48.9000111.7V71 F74 V75 A159 S160 V165 S166 L167 A188 A191 L195 F216V71-F163 HydrophobicContact CG1-CB 3.91Å; V71-F163 HydrophobicContact CG1-CD1 3.86Å; V71-F163 HydrophobicContact CG1-CD2 4.4Å; V71-F163 HydrophobicContact CG1-CG 3.82Å; V71-F163 HydrophobicContact CG2-CD1 4.49Å; F74-F163 HydrophobicContact CD1-CE1 4.35Å; F74-F163 HydrophobicContact CD1-CE2 4.42Å; F74-F163 AromaticContact CD1-CZ 3.64Å; F74-F163 HydrophobicContact CD1-CZ 3.64Å; F74-F163 AromaticContact CE1-CZ 3.84Å; F74-F163 HydrophobicContact CE1-CZ 3.84Å; V75-F163 HydrophobicContact CG2-CD2 4.26Å; V75-F163 HydrophobicContact CG2-CE2 3.92Å; A159-F163 WeakPolarHBondContact O-CD2 3.44Å; A159-F163 PolarHBondContact O-N 2.95Å; S160-F163 PolarHBondContact O-N 3.15Å; F163-V165 PolarHBondContact O-N 3.03Å; F163-S166 WeakPolarHBondContact CA-OG 3.41Å; F163-S166 WeakPolarHBondContact O-CB 3.08Å; F163-S166 PolarHBondContact O-N 3.4Å; F163-S166 VanDerWaalsContact O-N 3.13Å; F163-S166 PolarHBondContact O-OG 3.29Å; F163-L167 WeakPolarHBondContact O-CG 3.37Å; F163-L167 PolarHBondContact O-N 2.95Å; F163-A188 HydrophobicContact CD1-CB 4.47Å; F163-A188 HydrophobicContact CE1-CB 4.37Å; F163-A191 HydrophobicContact CD1-CB 3.75Å; F163-A191 HydrophobicContact CD2-CB 3.73Å; F163-A191 HydrophobicContact CE1-CB 3.67Å; F163-A191 HydrophobicContact CE2-CB 3.66Å; F163-A191 HydrophobicContact CG-CB 3.76Å; F163-A191 HydrophobicContact CZ-CB 3.62Å; F163-L195 HydrophobicContact CE2-CD1 3.74Å; F163-L195 HydrophobicContact CZ-CD1 4.34Å; F163-F216 HydrophobicContact CD1-CZ 4.42Å; F163-F216 HydrophobicContact CE1-CE2 4.19Å; F163-F216 AromaticContact CE1-CZ 3.85Å; F163-F216 HydrophobicContact CE1-CZ 3.85Å
164F97.4Very high93.6Very high128 Ų12853.3 Ų53.356%0.56131%0.312SS*.Hα-helixtrans-61.1-45.1174.2179.5-99.2000112.2S160 L161 M162 S166 L167 V168S160-F164 WeakPolarHBondContact O-CB 3.47Å; S160-F164 PolarHBondContact O-N 3.5Å; L161-F164 CarbonylContact O-C 3.59Å; L161-F164 WeakPolarHBondContact O-CB 3.49Å; L161-F164 PolarHBondContact O-N 2.85Å; M162-F164 VanDerWaalsContact C-N 3.34Å; F164-S166 VanDerWaalsContact C-N 3.27Å; F164-S166 PolarHBondContact O-N 3.36Å; F164-L167 WeakPolarHBondContact O-CB 3.42Å; F164-L167 PolarHBondContact O-N 3.34Å; F164-L167 VanDerWaalsContact O-N 3.12Å; F164-V168 HydrophobicContact CD1-CG2 4.23Å; F164-V168 HydrophobicContact CE1-CG2 3.76Å; F164-V168 HydrophobicContact CE2-CG2 4.32Å; F164-V168 HydrophobicContact CZ-CG2 3.81Å; F164-V168 WeakPolarHBondContact O-CG2 3.36Å; F164-V168 PolarHBondContact O-N 3.35Å
165V96.7Very high92.2Very high34 Ų3459 Ų5921%0.20634%0.338CS..Hα-helixtrans-57.2-43.3171.9170.40000110.3L161 M162 F163 L167 V168 F169 A187L161-V165 WeakPolarHBondContact O-CG2 3.32Å; L161-V165 PolarHBondContact O-N 2.96Å; M162-V165 PolarHBondContact O-N 3.39Å; F163-V165 PolarHBondContact O-N 3.03Å; V165-L167 VanDerWaalsContact C-N 3.28Å; V165-L167 PolarHBondContact O-N 3.44Å; V165-V168 PolarHBondContact O-N 2.94Å; V165-F169 HydrophobicContact CG1-CD2 3.74Å; V165-F169 HydrophobicContact CG1-CE2 4.09Å; V165-F169 WeakPolarHBondContact O-CD2 3.46Å; V165-F169 PolarHBondContact O-N 3.42Å; V165-F169 VanDerWaalsContact O-N 3.09Å; V165-A187 HydrophobicContact CB-CB 4.17Å; V165-A187 HydrophobicContact CG1-CB 3.77Å
166S96.5Very high90.9Very high0 Ų062.6 Ų62.60%036%0.36CS..Hα-helixtrans-58.6-40.5177.281.40000112.2M162 F163 F164 Y170 S184M162-S166 WeakPolarHBondContact O-CB 3.13Å; M162-S166 PolarHBondContact O-N 2.87Å; F163-S166 WeakPolarHBondContact CA-OG 3.41Å; F163-S166 WeakPolarHBondContact O-CB 3.08Å; F163-S166 PolarHBondContact O-N 3.4Å; F163-S166 VanDerWaalsContact O-N 3.13Å; F163-S166 PolarHBondContact O-OG 3.29Å; F164-S166 VanDerWaalsContact C-N 3.27Å; F164-S166 PolarHBondContact O-N 3.36Å; S166-Y170 WeakPolarHBondContact O-CB 3.47Å; S166-Y170 PolarHBondContact O-N 3.1Å; S166-S184 VanDerWaalsContact CB-O 3.29Å; S166-S184 WeakPolarHBondContact CB-O 3.27Å; S166-S184 WeakPolarHBondContact O-CB 3.27Å; S166-S184 PolarHBondContact O-OG 2.96Å
167L95.8Very high89.5Confident36 Ų3669.4 Ų69.419%0.18838%0.381CS..Hα-helixtrans-66.4-43.6176.1-64.9176.2000112.4H67 V68 V71 F163 F164 V165 Y172H67-L167 VanDerWaalsContact CD2-CD2 3.41Å; H67-L167 WeakPolarHBondContact CD2-CD2 3.36Å; V68-L167 HydrophobicContact CB-CD2 4.47Å; V68-L167 HydrophobicContact CG2-CD1 4.2Å; V68-L167 HydrophobicContact CG2-CD2 3.87Å; V71-L167 HydrophobicContact CB-CD2 4.46Å; V71-L167 HydrophobicContact CG2-CD2 3.7Å; V71-L167 HydrophobicContact CG2-CG 4.37Å; F163-L167 WeakPolarHBondContact O-CG 3.37Å; F163-L167 PolarHBondContact O-N 2.95Å; F164-L167 WeakPolarHBondContact O-CB 3.42Å; F164-L167 PolarHBondContact O-N 3.34Å; F164-L167 VanDerWaalsContact O-N 3.12Å; V165-L167 VanDerWaalsContact C-N 3.28Å; V165-L167 PolarHBondContact O-N 3.44Å; L167-Y172 VanDerWaalsContact O-CE2 3.3Å; L167-Y172 WeakPolarHBondContact O-CE2 3.41Å; L167-Y172 PolarHBondContact O-OH 2.96Å
168V93.8Very high88.3Confident74 Ų7471.2 Ų71.245%0.44839%0.386SS..Hα-helixtrans-66.1-42-177171.70000111.7F164 V165F164-V168 HydrophobicContact CD1-CG2 4.23Å; F164-V168 HydrophobicContact CE1-CG2 3.76Å; F164-V168 HydrophobicContact CE2-CG2 4.32Å; F164-V168 HydrophobicContact CZ-CG2 3.81Å; F164-V168 WeakPolarHBondContact O-CG2 3.36Å; F164-V168 PolarHBondContact O-N 3.35Å; V165-V168 PolarHBondContact O-N 2.94Å
169F92.8Very high87.5Confident57 Ų5770.3 Ų70.325%0.2538%0.381CS..Hα-helixtrans-93.81.4-174.2-68.7-78.1000114.2V165 V178 S180 L183V165-F169 HydrophobicContact CG1-CD2 3.74Å; V165-F169 HydrophobicContact CG1-CE2 4.09Å; V165-F169 WeakPolarHBondContact O-CD2 3.46Å; V165-F169 PolarHBondContact O-N 3.42Å; V165-F169 VanDerWaalsContact O-N 3.09Å; F169-V178 HydrophobicContact CD1-CG1 4.37Å; F169-V178 VanDerWaalsContact CD1-O 3.28Å; F169-V178 WeakPolarHBondContact CD1-O 3.38Å; F169-V178 HydrophobicContact CE1-CG1 3.96Å; F169-S180 PolarHBondContact O-N 2.94Å; F169-L183 HydrophobicContact CB-CD2 4.13Å; F169-L183 HydrophobicContact CB-CG 4.31Å; F169-L183 HydrophobicContact CD1-CD2 3.73Å; F169-L183 HydrophobicContact CD2-CD2 3.84Å; F169-L183 HydrophobicContact CD2-CG 4.42Å; F169-L183 HydrophobicContact CE1-CD2 4.04Å; F169-L183 HydrophobicContact CE2-CD2 4.15Å; F169-L183 HydrophobicContact CG-CD2 3.61Å; F169-L183 HydrophobicContact CG-CG 4.25Å; F169-L183 HydrophobicContact CZ-CD2 4.25Å
170Y92.3Very high87Confident42 Ų4272.6 Ų72.617%0.16540%0.396CS..SBendtrans-67.1144.2178.1-171.3-97.2000112.1H67 S166 Y172 S184 R223H67-Y170 HydrophobicContact CB-CD1 4.34Å; H67-Y170 HydrophobicContact CB-CE1 4.39Å; H67-Y170 AromaticContact CD2-CD1 3.94Å; H67-Y170 AromaticContact CD2-CD2 3.86Å; H67-Y170 AromaticContact CD2-CG 3.53Å; H67-Y170 AromaticContact CE1-CD2 3.37Å; H67-Y170 WeakPolarHBondContact CE1-CD2 3.24Å; H67-Y170 AromaticContact CE1-CE2 3.62Å; H67-Y170 AromaticContact CE1-CG 3.87Å; H67-Y170 AromaticContact CG-CD1 3.95Å; H67-Y170 AromaticContact CG-CG 3.9Å; H67-Y170 AromaticContact ND1-CD2 3.8Å; H67-Y170 AromaticContact ND1-CE2 3.74Å; H67-Y170 AromaticContact ND1-CZ 3.96Å; H67-Y170 AromaticContact NE2-CD2 3.41Å; H67-Y170 WeakPolarHBondContact NE2-CD2 3.29Å; H67-Y170 AromaticContact NE2-CG 3.54Å; S166-Y170 WeakPolarHBondContact O-CB 3.47Å; S166-Y170 PolarHBondContact O-N 3.1Å; Y170-Y172 AromaticContact CD1-CD1 3.66Å; Y170-Y172 HydrophobicContact CD1-CD1 3.66Å; Y170-Y172 HydrophobicContact CD1-CD2 4.48Å; Y170-Y172 AromaticContact CD1-CE1 3.51Å; Y170-Y172 HydrophobicContact CD1-CE1 3.51Å; Y170-Y172 HydrophobicContact CD1-CE2 4.38Å; Y170-Y172 HydrophobicContact CD1-CG 4.16Å; Y170-Y172 AromaticContact CD1-CZ 3.92Å; Y170-Y172 HydrophobicContact CE1-CD1 4.24Å; Y170-Y172 HydrophobicContact CE1-CE1 4.3Å; Y170-Y172 HydrophobicContact CG-CE1 4.28Å; Y170-Y172 WeakPolarHBondContact O-CD2 3.36Å; Y170-Y172 WeakPolarHBondContact O-CE2 3.19Å; Y170-Y172 PolarHBondContact O-N 3.19Å; Y170-S184 WeakPolarHBondContact CD2-OG 3.45Å; Y170-R223 PolarHBondContact OH-NH2 3Å
171N90.1Very high86.7Confident52 Ų5275.7 Ų75.728%0.27840%0.401SS..  trans-85.899177.4-169-21.7000112.1G173 V179 K181N171-G173 PolarHBondContact O-N 3.49Å; N171-G173 WeakPolarHBondContact OD1-CA 3.4Å; N171-G173 PolarHBondContact OD1-N 3.05Å; N171-V179 HydrophobicContact CB-CG1 3.4Å; N171-V179 VanDerWaalsContact CB-CG1 3.4Å; N171-K181 HydrophobicContact CB-CG 3.83Å
172Y89.2Confident86.4Confident52 Ų5273.8 Ų73.820%0.20440%0.399CS..SBendtrans-80.912.3176.7-58.8-72.2000114.6L64 H67 L167 Y170L64-Y172 VanDerWaalsContact CA-CE1 3.47Å; L64-Y172 HydrophobicContact CB-CD1 4.29Å; L64-Y172 HydrophobicContact CB-CE1 4.21Å; L64-Y172 HydrophobicContact CD1-CD1 4.5Å; L64-Y172 HydrophobicContact CD1-CE1 3.73Å; L64-Y172 HydrophobicContact CD1-CE2 4.08Å; L64-Y172 VanDerWaalsContact CD1-CZ 3.46Å; L64-Y172 WeakPolarHBondContact CD1-OH 3.35Å; H67-Y172 HydrophobicContact CB-CE1 3.8Å; L167-Y172 VanDerWaalsContact O-CE2 3.3Å; L167-Y172 WeakPolarHBondContact O-CE2 3.41Å; L167-Y172 PolarHBondContact O-OH 2.96Å; Y170-Y172 AromaticContact CD1-CD1 3.66Å; Y170-Y172 HydrophobicContact CD1-CD1 3.66Å; Y170-Y172 HydrophobicContact CD1-CD2 4.48Å; Y170-Y172 AromaticContact CD1-CE1 3.51Å; Y170-Y172 HydrophobicContact CD1-CE1 3.51Å; Y170-Y172 HydrophobicContact CD1-CE2 4.38Å; Y170-Y172 HydrophobicContact CD1-CG 4.16Å; Y170-Y172 AromaticContact CD1-CZ 3.92Å; Y170-Y172 HydrophobicContact CE1-CD1 4.24Å; Y170-Y172 HydrophobicContact CE1-CE1 4.3Å; Y170-Y172 HydrophobicContact CG-CE1 4.28Å; Y170-Y172 WeakPolarHBondContact O-CD2 3.36Å; Y170-Y172 WeakPolarHBondContact O-CE2 3.19Å; Y170-Y172 PolarHBondContact O-N 3.19Å
173G79.8Confident86.3Confident69 Ų6974.7 Ų74.771%0.71141%0.405SS*.SBendtrans94.14.8-174.300000114.1N171N171-G173 PolarHBondContact O-N 3.49Å; N171-G173 WeakPolarHBondContact OD1-CA 3.4Å; N171-G173 PolarHBondContact OD1-N 3.05Å
174C71Confident86.1Confident74 Ų7474.3 Ų74.350%0.540%0.404SS..  trans-90.5125.2175.1-58.80000109.8V176C174-V176 HydrophobicContact CB-CG2 3.86Å; C174-V176 PolarHBondContact O-N 3.5Å
175N65.9Low86.1Confident176 Ų17671.2 Ų71.294%0.94139%0.393SS*.  trans-79.167.4172.7-161.2-13.1000109.9
176V69.7Low86.1Confident77 Ų7774.2 Ų74.247%0.46741%0.407SS..  trans-109.8131179.3179.70000108.3C174 V178 V179C174-V176 HydrophobicContact CB-CG2 3.86Å; C174-V176 PolarHBondContact O-N 3.5Å; V176-V178 HydrophobicContact CG1-CB 4.2Å; V176-V178 HydrophobicContact CG1-CG2 4.21Å; V176-V178 PolarHBondContact O-N 2.86Å; V176-V178 VanDerWaalsContact O-N 3.07Å; V176-V179 HydrophobicContact CB-CG2 4.32Å; V176-V179 WeakPolarHBondContact O-CB 3.3Å; V176-V179 PolarHBondContact O-N 2.93Å
177Y65.4Low86.2Confident235 Ų23574.5 Ų74.592%0.92241%0.41SS*.THydrogen-bonded Turntrans-55.7-27.1-177.2-178.4-99.8000114.2V179Y177-V179 PolarHBondContact O-N 3.44Å
178V72.8Confident86.3Confident95 Ų9572.8 Ų72.858%0.57640%0.401SS*.THydrogen-bonded Turntrans-68.3-22.7179.6-1770000112.4F169 V176F169-V178 HydrophobicContact CD1-CG1 4.37Å; F169-V178 VanDerWaalsContact CD1-O 3.28Å; F169-V178 WeakPolarHBondContact CD1-O 3.38Å; F169-V178 HydrophobicContact CE1-CG1 3.96Å; V176-V178 HydrophobicContact CG1-CB 4.2Å; V176-V178 HydrophobicContact CG1-CG2 4.21Å; V176-V178 PolarHBondContact O-N 2.86Å; V176-V178 VanDerWaalsContact O-N 3.07Å
179V79.5Confident86.4Confident36 Ų3672.9 Ų72.922%0.21840%0.397CS..  trans-87.8126.4-169.8171.90000111.4N171 V176 Y177N171-V179 HydrophobicContact CB-CG1 3.4Å; N171-V179 VanDerWaalsContact CB-CG1 3.4Å; V176-V179 HydrophobicContact CB-CG2 4.32Å; V176-V179 WeakPolarHBondContact O-CB 3.3Å; V176-V179 PolarHBondContact O-N 2.93Å; Y177-V179 PolarHBondContact O-N 3.44Å
180S87.7Confident86.6Confident49 Ų4974.4 Ų74.434%0.34340%0.404SS..  trans-129.9114176.3174.40000111.6F169 A182 L183 S184F169-S180 PolarHBondContact O-N 2.94Å; S180-A182 PolarHBondContact O-N 2.91Å; S180-L183 PolarHBondContact O-N 3.02Å; S180-L183 PolarHBondContact OG-N 2.88Å; S180-S184 PolarHBondContact O-N 2.65Å; S180-S184 VanDerWaalsContact O-N 3.07Å
181K89.3Confident86.9Confident137 Ų13772.4 Ų72.460%0.59640%0.396SS*.Hα-helixtrans-56.1-39.4175.4-68.5-175.6179.6-178.10111.7N171 L185N171-K181 HydrophobicContact CB-CG 3.83Å; K181-L185 WeakPolarHBondContact O-CB 3.43Å; K181-L185 PolarHBondContact O-N 3.49Å; K181-L185 VanDerWaalsContact O-N 3.16Å
182A92.8Very high87.3Confident58 Ų5870 Ų7048%0.47938%0.383SS..Hα-helixtrans-68.8-44.2-179.900000112S180 L185 N186S180-A182 PolarHBondContact O-N 2.91Å; A182-L185 PolarHBondContact O-N 3.26Å; A182-N186 VanDerWaalsContact O-CB 3.31Å; A182-N186 WeakPolarHBondContact O-CB 3.44Å; A182-N186 PolarHBondContact O-N 2.91Å; A182-N186 PolarHBondContact O-ND2 3.42Å
183L94.5Very high87.6Confident76 Ų7668.7 Ų68.740%0.39838%0.38SS..Hα-helixtrans-63.4-45.9179.2-18058.2000111.4F169 S180 L185 N186 A187F169-L183 HydrophobicContact CB-CD2 4.13Å; F169-L183 HydrophobicContact CB-CG 4.31Å; F169-L183 HydrophobicContact CD1-CD2 3.73Å; F169-L183 HydrophobicContact CD2-CD2 3.84Å; F169-L183 HydrophobicContact CD2-CG 4.42Å; F169-L183 HydrophobicContact CE1-CD2 4.04Å; F169-L183 HydrophobicContact CE2-CD2 4.15Å; F169-L183 HydrophobicContact CG-CD2 3.61Å; F169-L183 HydrophobicContact CG-CG 4.25Å; F169-L183 HydrophobicContact CZ-CD2 4.25Å; S180-L183 PolarHBondContact O-N 3.02Å; S180-L183 PolarHBondContact OG-N 2.88Å; L183-L185 PolarHBondContact O-N 2.89Å; L183-N186 PolarHBondContact O-N 2.86Å; L183-A187 WeakPolarHBondContact O-CB 3.49Å; L183-A187 PolarHBondContact O-N 3.32Å
184S95.6Very high88.4Confident4 Ų465.6 Ų65.63%0.02835%0.347CS..Hα-helixtrans-59.7-47.2178.51750000112S166 Y170 S180 A187 A188S166-S184 VanDerWaalsContact CB-O 3.29Å; S166-S184 WeakPolarHBondContact CB-O 3.27Å; S166-S184 WeakPolarHBondContact O-CB 3.27Å; S166-S184 PolarHBondContact O-OG 2.96Å; Y170-S184 WeakPolarHBondContact CD2-OG 3.45Å; S180-S184 PolarHBondContact O-N 2.65Å; S180-S184 VanDerWaalsContact O-N 3.07Å; S184-A187 PolarHBondContact O-N 2.79Å; S184-A188 PolarHBondContact O-N 2.88Å
185L96.6Very high89.7Confident63 Ų6362.8 Ų62.833%0.3333%0.327SS..Hα-helixtrans-65.1-43179-172.5152.2000112K181 A182 L183 A187 A188 M189 F212 V217K181-L185 WeakPolarHBondContact O-CB 3.43Å; K181-L185 PolarHBondContact O-N 3.49Å; K181-L185 VanDerWaalsContact O-N 3.16Å; A182-L185 PolarHBondContact O-N 3.26Å; L183-L185 PolarHBondContact O-N 2.89Å; L185-A187 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.29Å; L185-A188 PolarHBondContact O-N 3.05Å; L185-M189 WeakPolarHBondContact O-CB 3.43Å; L185-M189 PolarHBondContact O-N 2.84Å; L185-F212 HydrophobicContact CD2-CZ 4.29Å; L185-F212 HydrophobicContact CG-CZ 4.42Å; L185-V217 HydrophobicContact CD1-CG2 4.05Å
186N97.2Very high91.1Very high96 Ų9654.4 Ų54.451%0.51328%0.282SS..Hα-helixtrans-65.3-37.8177.7-72.3-23.3000112.1A182 L183 M189 F190A182-N186 VanDerWaalsContact O-CB 3.31Å; A182-N186 WeakPolarHBondContact O-CB 3.44Å; A182-N186 PolarHBondContact O-N 2.91Å; A182-N186 PolarHBondContact O-ND2 3.42Å; L183-N186 PolarHBondContact O-N 2.86Å; N186-M189 PolarHBondContact O-N 3.01Å; N186-F190 WeakPolarHBondContact O-CB 3.19Å; N186-F190 PolarHBondContact O-N 3.33Å
187A98Very high92.4Very high6 Ų651.1 Ų51.15%0.0526%0.263CS..Hα-helixtrans-65.3-44.9175.200000111.5M162 V165 L183 S184 L185 M189 F190 A191M162-A187 WeakPolarHBondContact O-CB 3.42Å; V165-A187 HydrophobicContact CB-CB 4.17Å; V165-A187 HydrophobicContact CG1-CB 3.77Å; L183-A187 WeakPolarHBondContact O-CB 3.49Å; L183-A187 PolarHBondContact O-N 3.32Å; S184-A187 PolarHBondContact O-N 2.79Å; L185-A187 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.29Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 PolarHBondContact O-N 3.44Å; A187-F190 PolarHBondContact O-N 3.04Å; A187-A191 PolarHBondContact O-N 3.07Å
188A98.2Very high93.8Very high1 Ų142.2 Ų42.21%0.00823%0.227CC..Hα-helixtrans-63.7-36.8174.700000112.3F163 S184 L185 T192 F212 F216F163-A188 HydrophobicContact CD1-CB 4.47Å; F163-A188 HydrophobicContact CE1-CB 4.37Å; S184-A188 PolarHBondContact O-N 2.88Å; L185-A188 PolarHBondContact O-N 3.05Å; A188-T192 WeakPolarHBondContact O-CB 3.44Å; A188-T192 PolarHBondContact O-N 2.95Å; A188-T192 PolarHBondContact O-OG1 3.36Å; A188-F212 HydrophobicContact CB-CE2 4.05Å; A188-F216 HydrophobicContact CB-CD1 4.27Å; A188-F216 HydrophobicContact CB-CE1 4.35Å; A188-F216 HydrophobicContact CB-CG 4.38Å
189M97Very high94.9Very high75 Ų7537.9 Ų37.937%0.36920%0.201SC..Hα-helixtrans-64.9-45.3175.3-172.2175.5-176.900111.1L185 N186 A187 T192 I193 F212L185-M189 WeakPolarHBondContact O-CB 3.43Å; L185-M189 PolarHBondContact O-N 2.84Å; N186-M189 PolarHBondContact O-N 3.01Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 PolarHBondContact O-N 3.44Å; M189-T192 WeakPolarHBondContact O-CB 3.49Å; M189-T192 PolarHBondContact O-N 2.8Å; M189-I193 HydrophobicContact CE-CD1 4.2Å; M189-I193 HydrophobicContact CG-CD1 3.95Å; M189-I193 VanDerWaalsContact O-CG1 3.3Å; M189-I193 WeakPolarHBondContact O-CG1 3.37Å; M189-I193 PolarHBondContact O-N 3.01Å; M189-F212 HydrophobicContact CB-CE1 4.26Å; M189-F212 HydrophobicContact CB-CE2 3.96Å; M189-F212 HydrophobicContact CB-CZ 3.6Å; M189-F212 HydrophobicContact CG-CE1 4.19Å; M189-F212 HydrophobicContact CG-CZ 4.05Å
190F97Very high95.5Very high90 Ų9041 Ų4140%0.39522%0.222SC..Hα-helixtrans-61.9-46.3176.3-179.5-88.9000111.5M162 N186 A187 T192 I193 C194M162-F190 HydrophobicContact CB-CD1 4.03Å; M162-F190 HydrophobicContact CE-CD1 4.04Å; M162-F190 HydrophobicContact CE-CE1 3.93Å; M162-F190 HydrophobicContact CG-CD1 3.47Å; M162-F190 VanDerWaalsContact CG-CD1 3.47Å; M162-F190 HydrophobicContact CG-CE1 3.84Å; M162-F190 HydrophobicContact SD-CD1 3.92Å; M162-F190 HydrophobicContact SD-CE1 4.38Å; N186-F190 WeakPolarHBondContact O-CB 3.19Å; N186-F190 PolarHBondContact O-N 3.33Å; A187-F190 PolarHBondContact O-N 3.04Å; F190-T192 VanDerWaalsContact C-N 3.27Å; F190-T192 PolarHBondContact O-N 3.5Å; F190-I193 PolarHBondContact O-N 2.83Å; F190-C194 WeakPolarHBondContact CE1-SG 3.32Å; F190-C194 PolarHBondContact O-N 2.98Å; F190-C194 PolarHBondContact O-SG 2.99Å
191A98.2Very high95.8Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-57-43.1175.200000112A159 M162 F163 A187 C194 L195A159-A191 HydrophobicContact CB-CB 4.29Å; A159-A191 WeakPolarHBondContact O-CB 3.49Å; M162-A191 HydrophobicContact CB-CB 3.83Å; F163-A191 HydrophobicContact CD1-CB 3.75Å; F163-A191 HydrophobicContact CD2-CB 3.73Å; F163-A191 HydrophobicContact CE1-CB 3.67Å; F163-A191 HydrophobicContact CE2-CB 3.66Å; F163-A191 HydrophobicContact CG-CB 3.76Å; F163-A191 HydrophobicContact CZ-CB 3.62Å; A187-A191 PolarHBondContact O-N 3.07Å; A191-C194 WeakPolarHBondContact O-CB 3.5Å; A191-C194 PolarHBondContact O-N 3.35Å; A191-L195 WeakPolarHBondContact O-CG 3.44Å; A191-L195 PolarHBondContact O-N 3.27Å; A191-L195 VanDerWaalsContact O-N 3.08Å
192T97.7Very high96.1Very high0 Ų035.6 Ų35.60%020%0.201CC..Hα-helixtrans-60.6-50.2175.2-64.30000111.7F74 A188 M189 F190 C194 L195 I196 L209 F212F74-T192 HydrophobicContact CE1-CG2 4.31Å; F74-T192 HydrophobicContact CE2-CG2 4.24Å; F74-T192 HydrophobicContact CZ-CG2 3.54Å; F74-T192 WeakPolarHBondContact CZ-OG1 3.46Å; A188-T192 WeakPolarHBondContact O-CB 3.44Å; A188-T192 PolarHBondContact O-N 2.95Å; A188-T192 PolarHBondContact O-OG1 3.36Å; M189-T192 WeakPolarHBondContact O-CB 3.49Å; M189-T192 PolarHBondContact O-N 2.8Å; F190-T192 VanDerWaalsContact C-N 3.27Å; F190-T192 PolarHBondContact O-N 3.5Å; T192-C194 VanDerWaalsContact C-N 3.29Å; T192-C194 PolarHBondContact O-N 3.19Å; T192-L195 PolarHBondContact O-N 3.43Å; T192-L195 VanDerWaalsContact O-N 3.15Å; T192-I196 HydrophobicContact CG2-CG2 4.13Å; T192-I196 WeakPolarHBondContact O-CG1 3.14Å; T192-I196 WeakPolarHBondContact O-CG2 3.28Å; T192-I196 PolarHBondContact O-N 2.89Å; T192-L209 HydrophobicContact CG2-CD2 4.32Å; T192-F212 HydrophobicContact CG2-CB 3.94Å; T192-F212 HydrophobicContact CG2-CD2 4.41Å; T192-F212 HydrophobicContact CG2-CG 4.29Å; T192-F212 WeakPolarHBondContact OG1-CD2 3.3Å
193I96.4Very high96.2Very high26 Ų2635.1 Ų35.113%0.13319%0.191CC..Hα-helixtrans-59.7-41.7-179.8-69.1165.7000111L146 M189 F190 I196 S197L146-I193 HydrophobicContact CD2-CG2 4.23Å; M189-I193 HydrophobicContact CE-CD1 4.2Å; M189-I193 HydrophobicContact CG-CD1 3.95Å; M189-I193 VanDerWaalsContact O-CG1 3.3Å; M189-I193 WeakPolarHBondContact O-CG1 3.37Å; M189-I193 PolarHBondContact O-N 3.01Å; F190-I193 PolarHBondContact O-N 2.83Å; I193-I196 WeakPolarHBondContact O-CG1 3.08Å; I193-S197 PolarHBondContact O-N 3.41Å
194C96.5Very high96.3Very high4 Ų432.8 Ų32.83%0.02718%0.178CC..Hα-helixtrans-57.7-50.1174.2-76.60000111.4I155 A159 F190 A191 T192 S197I155-C194 HydrophobicContact CG2-CB 4.06Å; I155-C194 WeakPolarHBondContact CG2-O 3.44Å; A159-C194 HydrophobicContact CB-CB 4.25Å; F190-C194 WeakPolarHBondContact CE1-SG 3.32Å; F190-C194 PolarHBondContact O-N 2.98Å; F190-C194 PolarHBondContact O-SG 2.99Å; A191-C194 WeakPolarHBondContact O-CB 3.5Å; A191-C194 PolarHBondContact O-N 3.35Å; T192-C194 VanDerWaalsContact C-N 3.29Å; T192-C194 PolarHBondContact O-N 3.19Å; C194-S197 WeakPolarHBondContact O-CB 3.47Å; C194-S197 PolarHBondContact O-N 2.97Å; C194-S197 PolarHBondContact O-OG 3.21Å
195L97.2Very high96.4Very high14 Ų1432.6 Ų32.67%0.07318%0.177CC..Hα-helixtrans-65.7-48.3-179.1-71.5-178000112.9F74 F78 A159 F163 A191 T192 S197 R198F74-L195 HydrophobicContact CE1-CD1 4.41Å; F78-L195 HydrophobicContact CD1-CB 4.37Å; F78-L195 HydrophobicContact CD1-CD1 4.09Å; F78-L195 HydrophobicContact CD1-CD2 4.44Å; F78-L195 HydrophobicContact CD2-CB 4Å; F78-L195 HydrophobicContact CE1-CB 4.11Å; F78-L195 HydrophobicContact CE1-CD1 4.4Å; F78-L195 HydrophobicContact CE1-CD2 3.96Å; F78-L195 HydrophobicContact CE1-CG 4.39Å; F78-L195 VanDerWaalsContact CE2-C 3.45Å; F78-L195 HydrophobicContact CE2-CB 3.72Å; F78-L195 WeakPolarHBondContact CE2-O 3.3Å; F78-L195 HydrophobicContact CG-CB 4.31Å; F78-L195 HydrophobicContact CG-CD1 4.27Å; F78-L195 HydrophobicContact CZ-CB 3.78Å; F78-L195 HydrophobicContact CZ-CD2 4.26Å; F78-L195 VanDerWaalsContact CZ-O 3.26Å; F78-L195 WeakPolarHBondContact CZ-O 3.34Å; A159-L195 HydrophobicContact CB-CD1 4.46Å; A159-L195 HydrophobicContact CB-CD2 3.89Å; A159-L195 HydrophobicContact CB-CG 3.83Å; F163-L195 HydrophobicContact CE2-CD1 3.74Å; F163-L195 HydrophobicContact CZ-CD1 4.34Å; A191-L195 WeakPolarHBondContact O-CG 3.44Å; A191-L195 PolarHBondContact O-N 3.27Å; A191-L195 VanDerWaalsContact O-N 3.08Å; T192-L195 PolarHBondContact O-N 3.43Å; T192-L195 VanDerWaalsContact O-N 3.15Å; L195-S197 PolarHBondContact O-N 3.4Å; L195-S197 VanDerWaalsContact O-N 3.11Å; L195-R198 WeakPolarHBondContact O-CB 3.31Å; L195-R198 PolarHBondContact O-N 2.95Å
196I96.2Very high96.4Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-63.9-19.8-177.667.1-176.1000112.9C143 T192 I193 R198 L199 A205 M208 L209C143-I196 HydrophobicContact CB-CD1 3.9Å; T192-I196 HydrophobicContact CG2-CG2 4.13Å; T192-I196 WeakPolarHBondContact O-CG1 3.14Å; T192-I196 WeakPolarHBondContact O-CG2 3.28Å; T192-I196 PolarHBondContact O-N 2.89Å; I193-I196 WeakPolarHBondContact O-CG1 3.08Å; I196-R198 PolarHBondContact O-N 3.43Å; I196-L199 HydrophobicContact CB-CD1 3.94Å; I196-L199 HydrophobicContact CG2-CD1 4.01Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 2.85Å; I196-A205 HydrophobicContact CB-CB 4.26Å; I196-M208 HydrophobicContact CG2-CB 3.46Å; I196-M208 VanDerWaalsContact CG2-CB 3.46Å; I196-M208 HydrophobicContact CG2-CG 4.31Å; I196-L209 HydrophobicContact CD1-CD1 3.94Å; I196-L209 HydrophobicContact CD1-CD2 3.6Å; I196-L209 HydrophobicContact CD1-CG 3.6Å
197S96.4Very high96.4Very high9 Ų925.8 Ų25.86%0.06314%0.14CC..THydrogen-bonded Turntrans-64.8-15.1173.280.10000114.3Q144 T147 I193 C194 L195Q144-S197 WeakPolarHBondContact O-CA 3.28Å; Q144-S197 VanDerWaalsContact O-CB 3.28Å; Q144-S197 WeakPolarHBondContact O-CB 3.26Å; T147-S197 WeakPolarHBondContact OG1-CB 3.48Å; T147-S197 PolarHBondContact OG1-OG 2.9Å; I193-S197 PolarHBondContact O-N 3.41Å; C194-S197 WeakPolarHBondContact O-CB 3.47Å; C194-S197 PolarHBondContact O-N 2.97Å; C194-S197 PolarHBondContact O-OG 3.21Å; L195-S197 PolarHBondContact O-N 3.4Å; L195-S197 VanDerWaalsContact O-N 3.11Å
198R95.6Very high96.4Very high47 Ų4725.5 Ų25.518%0.17714%0.138CC..THydrogen-bonded Turntrans-87.7-10.2174.8-59.6-62.487.5163.810112.7F78 Y82 T147 A148 V150 T152 I155 L195 I196F78-R198 HydrophobicContact CZ-CB 4.48Å; Y82-R198 HydrophobicContact CD2-CB 4.35Å; Y82-R198 HydrophobicContact CE2-CB 3.97Å; Y82-R198 WeakPolarHBondContact CE2-O 3.48Å; T147-R198 PolarHBondContact O-NH2 2.89Å; A148-R198 PolarHBondContact O-NH2 2.61Å; V150-R198 PolarHBondContact O-NH1 3.16Å; T152-R198 PolarHBondContact OG1-NH1 3.13Å; I155-R198 HydrophobicContact CG2-CG 4.27Å; L195-R198 WeakPolarHBondContact O-CB 3.31Å; L195-R198 PolarHBondContact O-N 2.95Å; I196-R198 PolarHBondContact O-N 3.43Å
199L95Very high96.4Very high4 Ų426.1 Ų26.12%0.02114%0.141CC..  trans-73.7139.7179.1-64.5167.2000109.8F78 N81 Y82 Q144 I196 E204 M208F78-L199 HydrophobicContact CD2-CD1 4.44Å; F78-L199 HydrophobicContact CD2-CD2 4.45Å; F78-L199 HydrophobicContact CE2-CD1 4.19Å; F78-L199 HydrophobicContact CE2-CD2 3.95Å; F78-L199 HydrophobicContact CE2-CG 3.92Å; N81-L199 WeakPolarHBondContact OD1-CD2 3.28Å; Y82-L199 HydrophobicContact CD2-CD2 4.29Å; Q144-L199 PolarHBondContact NE2-O 3.24Å; I196-L199 HydrophobicContact CB-CD1 3.94Å; I196-L199 HydrophobicContact CG2-CD1 4.01Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 2.85Å; L199-E204 HydrophobicContact CB-CB 4.11Å; L199-E204 HydrophobicContact CD1-CB 4.05Å; L199-E204 HydrophobicContact CD2-CB 4.44Å; L199-E204 HydrophobicContact CG-CB 4.41Å; L199-M208 HydrophobicContact CD1-CB 4.19Å; L199-M208 HydrophobicContact CD1-CG 3.7Å
200P91.9Very high96.4Very high102 Ų10222.9 Ų22.966%0.66213%0.125SC*.SBendtrans-70.4-32.1-17826.7-36.6000113.4Q144 E204Q144-P200 PolarHBondContact NE2-O 2.89Å; P200-E204 WeakPolarHBondContact CD-OE2 3.43Å; P200-E204 WeakPolarHBondContact CG-OE2 3.38Å
201S94.3Very high96.4Very high31 Ų3119 Ų1922%0.21711%0.108CC..  trans-115.4145.6-176.177.40000113.5Q144 N203 E204 A205Q144-S201 VanDerWaalsContact NE2-C 3.27Å; S201-N203 PolarHBondContact O-N 3.41Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 WeakPolarHBondContact OG-CB 3.34Å; S201-E204 WeakPolarHBondContact OG-CG 3.45Å; S201-E204 PolarHBondContact OG-N 3.33Å; S201-E204 PolarHBondContact OG-OE1 3.3Å; S201-A205 PolarHBondContact O-N 3.16Å
202S95.2Very high96.4Very high41 Ų4119.4 Ų19.429%0.28711%0.11SC..Hα-helixtrans-65.9-26.3175.2580000112.5Q144 A205 F206Q144-S202 VanDerWaalsContact OE1-CA 3.28Å; S202-A205 PolarHBondContact O-N 2.9Å; S202-F206 WeakPolarHBondContact O-CB 3.27Å; S202-F206 PolarHBondContact O-N 3.09Å
203N96.3Very high96.3Very high48 Ų4821.6 Ų21.626%0.25712%0.121SC..Hα-helixtrans-67.8-41.4174.7-68-35.9000111.7W88 S201 F206 V207W88-N203 HydrophobicContact CD2-CB 4.06Å; W88-N203 HydrophobicContact CE3-CB 4.15Å; W88-N203 HydrophobicContact CH2-CB 4.28Å; W88-N203 HydrophobicContact CZ2-CB 4.18Å; W88-N203 HydrophobicContact CZ3-CB 4.26Å; S201-N203 PolarHBondContact O-N 3.41Å; N203-F206 WeakPolarHBondContact O-CB 3.26Å; N203-F206 PolarHBondContact O-N 3.31Å; N203-V207 WeakPolarHBondContact O-CG2 3.36Å; N203-V207 PolarHBondContact O-N 3.05Å
204E96.3Very high96.3Very high28 Ų2821.1 Ų21.113%0.13112%0.121CC..Hα-helixtrans-63.4-43.7172.9-77.1159.9-129.100111.3N81 W88 L199 P200 S201 F206 V207 M208N81-E204 WeakPolarHBondContact OD1-CB 3.12Å; N81-E204 WeakPolarHBondContact OD1-CG 3.5Å; W88-E204 HydrophobicContact CB-CG 3.82Å; W88-E204 HydrophobicContact CG-CG 4.1Å; L199-E204 HydrophobicContact CB-CB 4.11Å; L199-E204 HydrophobicContact CD1-CB 4.05Å; L199-E204 HydrophobicContact CD2-CB 4.44Å; L199-E204 HydrophobicContact CG-CB 4.41Å; P200-E204 WeakPolarHBondContact CD-OE2 3.43Å; P200-E204 WeakPolarHBondContact CG-OE2 3.38Å; S201-E204 PolarHBondContact O-N 2.87Å; S201-E204 WeakPolarHBondContact OG-CB 3.34Å; S201-E204 WeakPolarHBondContact OG-CG 3.45Å; S201-E204 PolarHBondContact OG-N 3.33Å; S201-E204 PolarHBondContact OG-OE1 3.3Å; E204-F206 VanDerWaalsContact C-N 3.32Å; E204-F206 PolarHBondContact O-N 3.4Å; E204-V207 PolarHBondContact O-N 3.13Å; E204-M208 WeakPolarHBondContact O-CG 3.36Å; E204-M208 PolarHBondContact O-N 3.47Å
205A96.8Very high96.4Very high0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-59.2-43.1174.700000112.1Q144 I196 S201 S202 M208 L209Q144-A205 HydrophobicContact CB-CB 3.99Å; Q144-A205 HydrophobicContact CG-CB 4.23Å; I196-A205 HydrophobicContact CB-CB 4.26Å; S201-A205 PolarHBondContact O-N 3.16Å; S202-A205 PolarHBondContact O-N 2.9Å; A205-M208 PolarHBondContact O-N 3.36Å; A205-L209 WeakPolarHBondContact O-CG 3.5Å; A205-L209 PolarHBondContact O-N 2.87Å
206F97.6Very high96.3Very high16 Ų1622.2 Ų22.27%0.0713%0.126CC..Hα-helixtrans-57.1-51.3174.3166.7-110.5000112.1L92 V133 T136 Y137 S140 S202 N203 E204 M208 L209 I210L92-F206 HydrophobicContact CD1-CE1 3.88Å; L92-F206 HydrophobicContact CD2-CE1 4.44Å; V133-F206 HydrophobicContact CG1-CE2 4.27Å; V133-F206 HydrophobicContact CG1-CZ 3.92Å; T136-F206 HydrophobicContact CG2-CD2 3.95Å; T136-F206 HydrophobicContact CG2-CE2 4.21Å; Y137-F206 VanDerWaalsContact CA-CD2 3.45Å; Y137-F206 HydrophobicContact CD2-CB 4.39Å; Y137-F206 HydrophobicContact CD2-CD1 4.06Å; Y137-F206 AromaticContact CD2-CD2 3.96Å; Y137-F206 HydrophobicContact CD2-CD2 3.96Å; Y137-F206 HydrophobicContact CD2-CE1 4.33Å; Y137-F206 HydrophobicContact CD2-CE2 4.23Å; Y137-F206 AromaticContact CD2-CG 3.86Å; Y137-F206 HydrophobicContact CD2-CG 3.86Å; Y137-F206 HydrophobicContact CD2-CZ 4.4Å; Y137-F206 HydrophobicContact CG-CD2 4.39Å; Y137-F206 HydrophobicContact CG-CE2 4.47Å; S140-F206 WeakPolarHBondContact OG-CA 3.18Å; S140-F206 VanDerWaalsContact OG-CB 3.29Å; S140-F206 WeakPolarHBondContact OG-CB 3.43Å; S202-F206 WeakPolarHBondContact O-CB 3.27Å; S202-F206 PolarHBondContact O-N 3.09Å; N203-F206 WeakPolarHBondContact O-CB 3.26Å; N203-F206 PolarHBondContact O-N 3.31Å; E204-F206 VanDerWaalsContact C-N 3.32Å; E204-F206 PolarHBondContact O-N 3.4Å; F206-M208 VanDerWaalsContact C-N 3.28Å; F206-M208 PolarHBondContact O-N 3.49Å; F206-L209 WeakPolarHBondContact O-CB 3.36Å; F206-L209 PolarHBondContact O-N 3.44Å; F206-L209 VanDerWaalsContact O-N 3.15Å; F206-I210 HydrophobicContact CD2-CG1 4.15Å; F206-I210 HydrophobicContact CE1-CG1 4.26Å; F206-I210 HydrophobicContact CE2-CD1 3.84Å; F206-I210 HydrophobicContact CE2-CG1 3.68Å; F206-I210 HydrophobicContact CZ-CD1 4.09Å; F206-I210 HydrophobicContact CZ-CG1 3.75Å; F206-I210 WeakPolarHBondContact O-CG1 3.43Å; F206-I210 PolarHBondContact O-N 3.37Å
207V97.5Very high96.3Very high0 Ų024.3 Ų24.30%014%0.139CC..Hα-helixtrans-63.4-36.6-178.9174.60000111.5W88 V91 L92 N203 E204 I210 N211W88-V207 HydrophobicContact CB-CG2 4.23Å; W88-V207 HydrophobicContact CE3-CG2 4.14Å; V91-V207 HydrophobicContact CB-CG1 3.61Å; V91-V207 HydrophobicContact CG1-CG1 3.32Å; L92-V207 HydrophobicContact CB-CG2 3.91Å; L92-V207 HydrophobicContact CD1-CG2 4.36Å; N203-V207 WeakPolarHBondContact O-CG2 3.36Å; N203-V207 PolarHBondContact O-N 3.05Å; E204-V207 PolarHBondContact O-N 3.13Å; V207-I210 PolarHBondContact O-N 3.45Å; V207-N211 PolarHBondContact O-N 3.43Å; V207-N211 PolarHBondContact O-ND2 2.69Å
208M97.5Very high96.3Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-69.9-34175.3-71-52.1-53.700113.3F74 F78 N81 I196 L199 E204 A205 F206 N211 F212F74-M208 HydrophobicContact CD2-CE 4.21Å; F74-M208 HydrophobicContact CE1-CE 4.26Å; F74-M208 HydrophobicContact CE2-CE 3.58Å; F74-M208 HydrophobicContact CZ-CE 3.59Å; F78-M208 HydrophobicContact CB-CE 3.66Å; F78-M208 HydrophobicContact CD2-CE 4.4Å; N81-M208 HydrophobicContact CB-SD 4.26Å; I196-M208 HydrophobicContact CG2-CB 3.46Å; I196-M208 VanDerWaalsContact CG2-CB 3.46Å; I196-M208 HydrophobicContact CG2-CG 4.31Å; L199-M208 HydrophobicContact CD1-CB 4.19Å; L199-M208 HydrophobicContact CD1-CG 3.7Å; E204-M208 WeakPolarHBondContact O-CG 3.36Å; E204-M208 PolarHBondContact O-N 3.47Å; A205-M208 PolarHBondContact O-N 3.36Å; F206-M208 VanDerWaalsContact C-N 3.28Å; F206-M208 PolarHBondContact O-N 3.49Å; M208-N211 HydrophobicContact CE-CB 4.4Å; M208-N211 WeakPolarHBondContact O-CB 3.18Å; M208-N211 PolarHBondContact O-N 3.25Å; M208-F212 PolarHBondContact O-N 3.17Å
209L97.4Very high96.3Very high13 Ų1329.4 Ų29.47%0.06816%0.161CC..Hα-helixtrans-66-38.9170.4-72.9166.7000111.8T136 C143 T192 I196 A205 F206 F212 I213T136-L209 HydrophobicContact CG2-CB 3.47Å; T136-L209 VanDerWaalsContact CG2-CB 3.47Å; T136-L209 HydrophobicContact CG2-CD1 3.98Å; T136-L209 HydrophobicContact CG2-CG 4.35Å; C143-L209 HydrophobicContact CB-CD1 4.18Å; T192-L209 HydrophobicContact CG2-CD2 4.32Å; I196-L209 HydrophobicContact CD1-CD1 3.94Å; I196-L209 HydrophobicContact CD1-CD2 3.6Å; I196-L209 HydrophobicContact CD1-CG 3.6Å; A205-L209 WeakPolarHBondContact O-CG 3.5Å; A205-L209 PolarHBondContact O-N 2.87Å; F206-L209 WeakPolarHBondContact O-CB 3.36Å; F206-L209 PolarHBondContact O-N 3.44Å; F206-L209 VanDerWaalsContact O-N 3.15Å; L209-F212 WeakPolarHBondContact O-CB 3.38Å; L209-F212 PolarHBondContact O-N 3.01Å; L209-I213 WeakPolarHBondContact O-CG1 3.25Å; L209-I213 PolarHBondContact O-N 3.31Å
210I97.1Very high96.3Very high8 Ų829.9 Ų29.94%0.04117%0.165CC..Hα-helixtrans-63.5-42.8172.8-65.2-62.5000110.9N95 F99 V133 T136 F206 V207 F212 I213 A214N95-I210 HydrophobicContact CB-CG2 4.05Å; F99-I210 HydrophobicContact CE2-CG2 3.72Å; F99-I210 HydrophobicContact CZ-CG2 4.12Å; V133-I210 HydrophobicContact CG2-CD1 4.2Å; T136-I210 HydrophobicContact CG2-CD1 4.17Å; F206-I210 HydrophobicContact CD2-CG1 4.15Å; F206-I210 HydrophobicContact CE1-CG1 4.26Å; F206-I210 HydrophobicContact CE2-CD1 3.84Å; F206-I210 HydrophobicContact CE2-CG1 3.68Å; F206-I210 HydrophobicContact CZ-CD1 4.09Å; F206-I210 HydrophobicContact CZ-CG1 3.75Å; F206-I210 WeakPolarHBondContact O-CG1 3.43Å; F206-I210 PolarHBondContact O-N 3.37Å; V207-I210 PolarHBondContact O-N 3.45Å; I210-F212 VanDerWaalsContact C-N 3.3Å; I210-F212 PolarHBondContact O-N 3.37Å; I210-I213 PolarHBondContact O-N 3.32Å; I210-A214 WeakPolarHBondContact O-CB 3.31Å; I210-A214 PolarHBondContact O-N 3.42Å
211N97.3Very high96.3Very high7 Ų728.9 Ų28.94%0.03715%0.153CC..Hα-helixtrans-59.7-39.8173.1-82.1-42.1000112.3F74 V91 N95 V207 M208 A214 I215F74-N211 HydrophobicContact CD2-CB 4.45Å; F74-N211 HydrophobicContact CE2-CB 4.29Å; V91-N211 WeakPolarHBondContact CG1-ND2 3.28Å; N95-N211 PolarHBondContact ND2-OD1 3.08Å; N95-N211 PolarHBondContact OD1-OD1 3.41Å; V207-N211 PolarHBondContact O-N 3.43Å; V207-N211 PolarHBondContact O-ND2 2.69Å; M208-N211 HydrophobicContact CE-CB 4.4Å; M208-N211 WeakPolarHBondContact O-CB 3.18Å; M208-N211 PolarHBondContact O-N 3.25Å; N211-A214 PolarHBondContact O-N 3.44Å; N211-I215 WeakPolarHBondContact O-CB 3.17Å; N211-I215 WeakPolarHBondContact O-CG1 3.33Å; N211-I215 PolarHBondContact O-N 3.24Å
212F98Very high96.4Very high10 Ų1028.7 Ų28.74%0.04415%0.15CC..Hα-helixtrans-59.4-48.2174.6161.9-91.9000111F74 L185 A188 M189 T192 M208 L209 I210 A214 I215 F216 V217F74-F212 HydrophobicContact CE2-CB 3.89Å; L185-F212 HydrophobicContact CD2-CZ 4.29Å; L185-F212 HydrophobicContact CG-CZ 4.42Å; A188-F212 HydrophobicContact CB-CE2 4.05Å; M189-F212 HydrophobicContact CB-CE1 4.26Å; M189-F212 HydrophobicContact CB-CE2 3.96Å; M189-F212 HydrophobicContact CB-CZ 3.6Å; M189-F212 HydrophobicContact CG-CE1 4.19Å; M189-F212 HydrophobicContact CG-CZ 4.05Å; T192-F212 HydrophobicContact CG2-CB 3.94Å; T192-F212 HydrophobicContact CG2-CD2 4.41Å; T192-F212 HydrophobicContact CG2-CG 4.29Å; T192-F212 WeakPolarHBondContact OG1-CD2 3.3Å; M208-F212 PolarHBondContact O-N 3.17Å; L209-F212 WeakPolarHBondContact O-CB 3.38Å; L209-F212 PolarHBondContact O-N 3.01Å; I210-F212 VanDerWaalsContact C-N 3.3Å; I210-F212 PolarHBondContact O-N 3.37Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 PolarHBondContact O-N 2.97Å; F212-I215 PolarHBondContact O-N 3.39Å; F212-F216 HydrophobicContact CB-CD2 4.44Å; F212-F216 HydrophobicContact CD2-CB 4.16Å; F212-F216 AromaticContact CD2-CD2 3.32Å; F212-F216 HydrophobicContact CD2-CD2 3.32Å; F212-F216 HydrophobicContact CD2-CE2 4.01Å; F212-F216 HydrophobicContact CD2-CG 4.08Å; F212-F216 HydrophobicContact CE2-CB 3.91Å; F212-F216 AromaticContact CE2-CD2 3.76Å; F212-F216 HydrophobicContact CE2-CD2 3.76Å; F212-F216 HydrophobicContact CE2-CG 4.08Å; F212-F216 HydrophobicContact CG-CD2 4.17Å; F212-F216 HydrophobicContact CZ-CB 4.43Å; F212-F216 WeakPolarHBondContact O-CB 3.39Å; F212-F216 PolarHBondContact O-N 2.61Å; F212-V217 HydrophobicContact CE1-CG2 4.24Å
213I96.1Very high96.4Very high45 Ų4527.4 Ų27.423%0.23114%0.139CC..Iπ-helixtrans-60.4-44176.6-64.3168000110.2L209 I210 V217 L218L209-I213 WeakPolarHBondContact O-CG1 3.25Å; L209-I213 PolarHBondContact O-N 3.31Å; I210-I213 PolarHBondContact O-N 3.32Å; I213-V217 HydrophobicContact CG2-CB 4.4Å; I213-V217 WeakPolarHBondContact O-CA 3.49Å; I213-V217 VanDerWaalsContact O-CB 3.27Å; I213-V217 WeakPolarHBondContact O-CB 3.21Å; I213-V217 PolarHBondContact O-N 2.9Å; I213-V217 VanDerWaalsContact O-N 3.16Å; I213-L218 HydrophobicContact CG2-CD1 3.89Å; I213-L218 HydrophobicContact CG2-CG 4.13Å; I213-L218 PolarHBondContact O-N 2.91Å
214A96.7Very high96.2Very high17 Ų1730 Ų3014%0.1415%0.15CC..Iπ-helixtrans-60.6-48.8178.600000112.1F99 I210 N211 F212 W219F99-A214 HydrophobicContact CE1-CB 4.16Å; F99-A214 HydrophobicContact CZ-CB 3.9Å; I210-A214 WeakPolarHBondContact O-CB 3.31Å; I210-A214 PolarHBondContact O-N 3.42Å; N211-A214 PolarHBondContact O-N 3.44Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 PolarHBondContact O-N 2.97Å; A214-W219 WeakPolarHBondContact O-CB 3.37Å; A214-W219 PolarHBondContact O-N 3.21Å
215I97.3Very high96.1Very high25 Ų2531.1 Ų31.113%0.12815%0.154CC..Iπ-helixtrans-84.6-40.1-169.8-66.9172.7000113S70 F74 L77 N211 F212 P220S70-I215 WeakPolarHBondContact O-CG2 3.34Å; F74-I215 HydrophobicContact CB-CD1 4.13Å; F74-I215 HydrophobicContact CD2-CD1 4.28Å; L77-I215 HydrophobicContact CD1-CD1 3.75Å; N211-I215 WeakPolarHBondContact O-CB 3.17Å; N211-I215 WeakPolarHBondContact O-CG1 3.33Å; N211-I215 PolarHBondContact O-N 3.24Å; F212-I215 PolarHBondContact O-N 3.39Å; I215-P220 VanDerWaalsContact O-CD 3.31Å; I215-P220 WeakPolarHBondContact O-CD 3.34Å
216F97.2Very high96Very high15 Ų1533.4 Ų33.47%0.06616%0.164CC..Iπ-helixtrans-100.5-20.9-173.1-66.3-70.1000114V71 F74 F163 A188 F212 P220V71-F216 HydrophobicContact CB-CE1 4.49Å; V71-F216 HydrophobicContact CB-CZ 4.49Å; V71-F216 HydrophobicContact CG2-CE1 3.67Å; V71-F216 HydrophobicContact CG2-CZ 4.05Å; F74-F216 HydrophobicContact CB-CE2 3.79Å; F74-F216 HydrophobicContact CB-CZ 3.97Å; F74-F216 HydrophobicContact CD1-CE2 4.22Å; F74-F216 AromaticContact CD2-CE2 3.86Å; F74-F216 HydrophobicContact CD2-CE2 3.86Å; F74-F216 AromaticContact CG-CE2 3.66Å; F74-F216 HydrophobicContact CG-CE2 3.66Å; F74-F216 HydrophobicContact CG-CZ 4.25Å; F163-F216 HydrophobicContact CD1-CZ 4.42Å; F163-F216 HydrophobicContact CE1-CE2 4.19Å; F163-F216 AromaticContact CE1-CZ 3.85Å; F163-F216 HydrophobicContact CE1-CZ 3.85Å; A188-F216 HydrophobicContact CB-CD1 4.27Å; A188-F216 HydrophobicContact CB-CE1 4.35Å; A188-F216 HydrophobicContact CB-CG 4.38Å; F212-F216 HydrophobicContact CB-CD2 4.44Å; F212-F216 HydrophobicContact CD2-CB 4.16Å; F212-F216 AromaticContact CD2-CD2 3.32Å; F212-F216 HydrophobicContact CD2-CD2 3.32Å; F212-F216 HydrophobicContact CD2-CE2 4.01Å; F212-F216 HydrophobicContact CD2-CG 4.08Å; F212-F216 HydrophobicContact CE2-CB 3.91Å; F212-F216 AromaticContact CE2-CD2 3.76Å; F212-F216 HydrophobicContact CE2-CD2 3.76Å; F212-F216 HydrophobicContact CE2-CG 4.08Å; F212-F216 HydrophobicContact CG-CD2 4.17Å; F212-F216 HydrophobicContact CZ-CB 4.43Å; F212-F216 WeakPolarHBondContact O-CB 3.39Å; F212-F216 PolarHBondContact O-N 2.61Å; F216-P220 WeakPolarHBondContact O-CG 3.36Å
217V95.4Very high95.9Very high45 Ų4533.1 Ų33.127%0.27316%0.163SC..Iπ-helixtrans-107.4-60.9-178.4-171.10000110.7L185 F212 I213 I221L185-V217 HydrophobicContact CD1-CG2 4.05Å; F212-V217 HydrophobicContact CE1-CG2 4.24Å; I213-V217 HydrophobicContact CG2-CB 4.4Å; I213-V217 WeakPolarHBondContact O-CA 3.49Å; I213-V217 VanDerWaalsContact O-CB 3.27Å; I213-V217 WeakPolarHBondContact O-CB 3.21Å; I213-V217 PolarHBondContact O-N 2.9Å; I213-V217 VanDerWaalsContact O-N 3.16Å; V217-I221 VanDerWaalsContact O-CD1 3.25Å; V217-I221 WeakPolarHBondContact O-CD1 3.41Å; V217-I221 VanDerWaalsContact O-CG1 3.3Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å
218L95.4Very high95.6Very high70 Ų7038 Ų3837%0.36619%0.186SC..Iπ-helixtrans-80.9-44.3-170.3-64.2174.3000112.7F99 I213 I221 V222F99-L218 HydrophobicContact CD1-CD1 4.03Å; F99-L218 HydrophobicContact CE1-CD1 3.36Å; F99-L218 HydrophobicContact CZ-CD1 4.14Å; I213-L218 HydrophobicContact CG2-CD1 3.89Å; I213-L218 HydrophobicContact CG2-CG 4.13Å; I213-L218 PolarHBondContact O-N 2.91Å; L218-I221 WeakPolarHBondContact O-CB 3.32Å; L218-I221 PolarHBondContact O-N 2.96Å; L218-I221 VanDerWaalsContact O-N 3.13Å; L218-V222 WeakPolarHBondContact O-CG2 3.37Å; L218-V222 PolarHBondContact O-N 3.26Å
219W95.7Very high95.4Very high92 Ų9239.3 Ų39.335%0.34820%0.195SC..Hα-helixtrans-56.9-45.4179.5169.4-119.6000113.2A214 I221 V222 R223 L241A214-W219 WeakPolarHBondContact O-CB 3.37Å; A214-W219 PolarHBondContact O-N 3.21Å; W219-I221 VanDerWaalsContact C-N 3.31Å; W219-I221 PolarHBondContact O-N 2.91Å; W219-V222 PolarHBondContact O-N 3.43Å; W219-R223 HydrophobicContact CD2-CB 4.33Å; W219-R223 HydrophobicContact CZ2-CB 4.26Å; W219-R223 HydrophobicContact CZ2-CG 4.2Å; W219-R223 WeakPolarHBondContact O-CB 3.2Å; W219-R223 PolarHBondContact O-N 3.4Å; W219-L241 HydrophobicContact CZ2-CD1 4.12Å; W219-L241 HydrophobicContact CZ2-CD2 4.32Å
220P94.8Very high95.3Very high14 Ų1442.9 Ų42.99%0.09121%0.21CC..Hα-helixtrans-59.9-37.6175.4-27.438.6000114I215 F216 Q224I215-P220 VanDerWaalsContact O-CD 3.31Å; I215-P220 WeakPolarHBondContact O-CD 3.34Å; F216-P220 WeakPolarHBondContact O-CG 3.36Å; P220-Q224 WeakPolarHBondContact O-CB 3.48Å; P220-Q224 PolarHBondContact O-N 3.49Å
221I93.7Very high95.1Very high82 Ų8246.4 Ų46.442%0.42123%0.234SC..Hα-helixtrans-65.7-49.4178.6-63166.7000110.2Y106 V217 L218 W219 K225Y106-I221 HydrophobicContact CE2-CG2 3.95Å; V217-I221 VanDerWaalsContact O-CD1 3.25Å; V217-I221 WeakPolarHBondContact O-CD1 3.41Å; V217-I221 VanDerWaalsContact O-CG1 3.3Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; L218-I221 WeakPolarHBondContact O-CB 3.32Å; L218-I221 PolarHBondContact O-N 2.96Å; L218-I221 VanDerWaalsContact O-N 3.13Å; W219-I221 VanDerWaalsContact C-N 3.31Å; W219-I221 PolarHBondContact O-N 2.91Å; I221-K225 PolarHBondContact O-N 2.86Å; I221-K225 VanDerWaalsContact O-N 3.16Å
222V94.9Very high94.9Very high26 Ų2654.4 Ų54.416%0.15827%0.268CS..Hα-helixtrans-64.7-45.7179.3179.30000110.7F105 Y106 L109 L218 W219 K225 F226F105-V222 HydrophobicContact CD1-CG1 4.06Å; F105-V222 HydrophobicContact CE1-CG1 4.21Å; Y106-V222 HydrophobicContact CD2-CG2 4.12Å; Y106-V222 HydrophobicContact CG-CG2 4.4Å; L109-V222 HydrophobicContact CD1-CG1 4.5Å; L218-V222 WeakPolarHBondContact O-CG2 3.37Å; L218-V222 PolarHBondContact O-N 3.26Å; W219-V222 PolarHBondContact O-N 3.43Å; V222-K225 PolarHBondContact O-N 3.19Å; V222-F226 WeakPolarHBondContact O-CB 3.41Å; V222-F226 PolarHBondContact O-N 3.12Å
223R95Very high94.8Very high14 Ų1454.6 Ų54.65%0.05327%0.271CS..Hα-helixtrans-61.8-45.2179.9-176.1-178.672.8-105.2-2111.9Q66 Y170 W219 K225 F226 Q227Q66-R223 VanDerWaalsContact OE1-CD 3.28Å; Y170-R223 PolarHBondContact OH-NH2 3Å; W219-R223 HydrophobicContact CD2-CB 4.33Å; W219-R223 HydrophobicContact CZ2-CB 4.26Å; W219-R223 HydrophobicContact CZ2-CG 4.2Å; W219-R223 WeakPolarHBondContact O-CB 3.2Å; W219-R223 PolarHBondContact O-N 3.4Å; R223-K225 VanDerWaalsContact C-N 3.34Å; R223-K225 PolarHBondContact O-N 3.3Å; R223-F226 PolarHBondContact O-N 2.99Å; R223-Q227 HydrophobicContact CG-CG 4.34Å; R223-Q227 WeakPolarHBondContact O-CB 3.46Å; R223-Q227 VanDerWaalsContact O-CG 3.28Å; R223-Q227 WeakPolarHBondContact O-CG 3.35Å; R223-Q227 PolarHBondContact O-N 2.87Å
224Q93.2Very high94.8Very high104 Ų10452.8 Ų52.849%0.48626%0.261SS..Hα-helixtrans-57.5-50.3176.7-177.2-171.7-2500109.9P220 F226 Q227 E228P220-Q224 WeakPolarHBondContact O-CB 3.48Å; P220-Q224 PolarHBondContact O-N 3.49Å; Q224-F226 VanDerWaalsContact C-N 3.33Å; Q224-F226 PolarHBondContact O-N 3.38Å; Q224-Q227 PolarHBondContact O-N 3.5Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.49Å; Q224-E228 PolarHBondContact NE2-OE1 2.83Å; Q224-E228 WeakPolarHBondContact O-CG 3.42Å; Q224-E228 PolarHBondContact O-N 3.43Å
225K93.2Very high94.8Very high50 Ų5054.7 Ų54.722%0.21727%0.268CS..Hα-helixtrans-64.8-38.5-179.2-168.758.2178.9175.60112.5Y106 L109 V110 I221 V222 R223 E228 C229Y106-K225 HydrophobicContact CE2-CB 4.29Å; Y106-K225 HydrophobicContact CE2-CG 4.49Å; L109-K225 HydrophobicContact CB-CG 4.08Å; V110-K225 HydrophobicContact CG2-CG 4.28Å; I221-K225 PolarHBondContact O-N 2.86Å; I221-K225 VanDerWaalsContact O-N 3.16Å; V222-K225 PolarHBondContact O-N 3.19Å; R223-K225 VanDerWaalsContact C-N 3.34Å; R223-K225 PolarHBondContact O-N 3.3Å; K225-E228 VanDerWaalsContact CD-OE2 3.32Å; K225-E228 WeakPolarHBondContact CD-OE2 3.46Å; K225-E228 IonicContact NZ-OE2 3.27Å; K225-E228 PolarHBondContact NZ-OE2 3.33Å; K225-E228 PolarHBondContact O-N 3.39Å; K225-C229 PolarHBondContact O-N 2.6Å; K225-C229 VanDerWaalsContact O-N 3.09Å; K225-C229 PolarHBondContact O-SG 3.02Å
226F95.5Very high94.7Very high49 Ų4956.5 Ų56.522%0.21528%0.282CS..Hα-helixtrans-61.4-44.7175.3-179.5-109.9000111.9F105 L109 V222 R223 Q224 C229 F230 S233F105-F226 HydrophobicContact CE1-CD2 4.11Å; F105-F226 AromaticContact CZ-CD2 3.62Å; F105-F226 HydrophobicContact CZ-CD2 3.62Å; F105-F226 AromaticContact CZ-CE2 3.85Å; F105-F226 HydrophobicContact CZ-CE2 3.85Å; L109-F226 HydrophobicContact CD1-CB 3.82Å; L109-F226 HydrophobicContact CD1-CD2 4.12Å; L109-F226 HydrophobicContact CD1-CG 4.49Å; L109-F226 HydrophobicContact CD2-CD2 3.89Å; V222-F226 WeakPolarHBondContact O-CB 3.41Å; V222-F226 PolarHBondContact O-N 3.12Å; R223-F226 PolarHBondContact O-N 2.99Å; Q224-F226 VanDerWaalsContact C-N 3.33Å; Q224-F226 PolarHBondContact O-N 3.38Å; F226-C229 PolarHBondContact O-N 3.13Å; F226-F230 AromaticContact CD2-CD2 3.76Å; F226-F230 HydrophobicContact CD2-CD2 3.76Å; F226-F230 HydrophobicContact CD2-CE2 4.27Å; F226-F230 AromaticContact CE2-CD2 3.55Å; F226-F230 HydrophobicContact CE2-CD2 3.55Å; F226-F230 HydrophobicContact CE2-CE2 4.04Å; F226-F230 HydrophobicContact CE2-CG 4.45Å; F226-F230 HydrophobicContact CZ-CD2 4.24Å; F226-F230 PolarHBondContact O-N 3.19Å; F226-S233 VanDerWaalsContact CE1-CB 3.5Å; F226-S233 VanDerWaalsContact CE1-OG 3.32Å; F226-S233 WeakPolarHBondContact CE1-OG 3.29Å
227Q94.5Very high94.7Very high10 Ų1056.8 Ų56.85%0.04729%0.286CS..Hα-helixtrans-72.8-28.9179.5-70.3170.9-2000112.7R223 Q224 F230 P231 I234R223-Q227 HydrophobicContact CG-CG 4.34Å; R223-Q227 WeakPolarHBondContact O-CB 3.46Å; R223-Q227 VanDerWaalsContact O-CG 3.28Å; R223-Q227 WeakPolarHBondContact O-CG 3.35Å; R223-Q227 PolarHBondContact O-N 2.87Å; Q224-Q227 PolarHBondContact O-N 3.5Å; Q227-F230 CarbonylContact O-C 3.59Å; Q227-F230 VanDerWaalsContact O-C 3.27Å; Q227-P231 WeakPolarHBondContact O-CA 3.45Å; Q227-P231 VanDerWaalsContact O-N 3.11Å; Q227-I234 HydrophobicContact CB-CG1 3.93Å; Q227-I234 HydrophobicContact CG-CG1 3.74Å
228E92Very high94.8Very high103 Ų10354.8 Ų54.848%0.48127%0.274SS..Hα-helixtrans-63.7-44.7169-75.3170.7-16500111.5Q224 K225Q224-E228 WeakPolarHBondContact CG-OE1 3.49Å; Q224-E228 PolarHBondContact NE2-OE1 2.83Å; Q224-E228 WeakPolarHBondContact O-CG 3.42Å; Q224-E228 PolarHBondContact O-N 3.43Å; K225-E228 VanDerWaalsContact CD-OE2 3.32Å; K225-E228 WeakPolarHBondContact CD-OE2 3.46Å; K225-E228 IonicContact NZ-OE2 3.27Å; K225-E228 PolarHBondContact NZ-OE2 3.33Å; K225-E228 PolarHBondContact O-N 3.39Å
229C92.8Very high94.9Very high27 Ų2755.7 Ų55.718%0.18228%0.278CS..Hα-helixtrans-71.3-37.7178.3-59.20000111.6L109 K225 F226L109-C229 HydrophobicContact CD2-CB 4.4Å; K225-C229 PolarHBondContact O-N 2.6Å; K225-C229 VanDerWaalsContact O-N 3.09Å; K225-C229 PolarHBondContact O-SG 3.02Å; F226-C229 PolarHBondContact O-N 3.13Å
230F94.8Very high95Very high87 Ų8756.6 Ų56.638%0.38229%0.289SS..  trans-128.976.6-175.6-55.4-72.3000111.1W108 L109 F226 Q227 K232 S233W108-F230 HydrophobicContact CH2-CE2 4.18Å; W108-F230 HydrophobicContact CH2-CZ 4.08Å; W108-F230 HydrophobicContact CZ3-CE2 4.28Å; L109-F230 HydrophobicContact CD2-CD2 4.44Å; L109-F230 HydrophobicContact CD2-CE2 3.9Å; F226-F230 AromaticContact CD2-CD2 3.76Å; F226-F230 HydrophobicContact CD2-CD2 3.76Å; F226-F230 HydrophobicContact CD2-CE2 4.27Å; F226-F230 AromaticContact CE2-CD2 3.55Å; F226-F230 HydrophobicContact CE2-CD2 3.55Å; F226-F230 HydrophobicContact CE2-CE2 4.04Å; F226-F230 HydrophobicContact CE2-CG 4.45Å; F226-F230 HydrophobicContact CZ-CD2 4.24Å; F226-F230 PolarHBondContact O-N 3.19Å; Q227-F230 CarbonylContact O-C 3.59Å; Q227-F230 VanDerWaalsContact O-C 3.27Å; F230-K232 PolarHBondContact O-N 2.86Å; F230-K232 VanDerWaalsContact O-N 3.13Å; F230-S233 WeakPolarHBondContact O-CB 3.34Å; F230-S233 PolarHBondContact O-N 3.2Å; F230-S233 PolarHBondContact O-OG 3.42Å
231P93.2Very high95.1Very high83 Ų8357 Ų5754%0.53929%0.29SS..G310 helixtrans-62.9-27.2-174.722.4-34000113.6Q227 S233 I234Q227-P231 WeakPolarHBondContact O-CA 3.45Å; Q227-P231 VanDerWaalsContact O-N 3.11Å; P231-S233 PolarHBondContact O-N 2.85Å; P231-I234 WeakPolarHBondContact O-CD1 3.45Å; P231-I234 WeakPolarHBondContact O-CG1 3.45Å; P231-I234 PolarHBondContact O-N 2.81Å
232K94.3Very high95.3Very high175 Ų17553.6 Ų53.676%0.76127%0.274SS*.G310 helixtrans-67.2-16.2174.6-63.4-178.8-176.4175.20113.1F230 I234 P236F230-K232 PolarHBondContact O-N 2.86Å; F230-K232 VanDerWaalsContact O-N 3.13Å; K232-I234 VanDerWaalsContact C-N 3.32Å; K232-I234 PolarHBondContact O-N 3.43Å; K232-P236 WeakPolarHBondContact O-CD 3.47Å
233S95.1Very high95.5Very high14 Ų1456.7 Ų56.710%0.09829%0.289CS..G310 helixtrans-76-14.5-179.673.10000114.2F226 F230 P231 I235 P236 C237F226-S233 VanDerWaalsContact CE1-CB 3.5Å; F226-S233 VanDerWaalsContact CE1-OG 3.32Å; F226-S233 WeakPolarHBondContact CE1-OG 3.29Å; F230-S233 WeakPolarHBondContact O-CB 3.34Å; F230-S233 PolarHBondContact O-N 3.2Å; F230-S233 PolarHBondContact O-OG 3.42Å; P231-S233 PolarHBondContact O-N 2.85Å; S233-I235 PolarHBondContact O-N 3.39Å; S233-P236 VanDerWaalsContact C-CD 3.5Å; S233-P236 WeakPolarHBondContact O-CD 3.48Å; S233-P236 VanDerWaalsContact O-CG 3.24Å; S233-P236 WeakPolarHBondContact O-CG 3.49Å; S233-C237 VanDerWaalsContact O-CB 3.29Å; S233-C237 WeakPolarHBondContact O-CB 3.37Å; S233-C237 PolarHBondContact O-N 3.42Å; S233-C237 PolarHBondContact O-SG 3.33Å
234I96.2Very high95.6Very high7 Ų759 Ų594%0.03631%0.308CS..Hα-helixtrans-57-51.2-174.2-64.2163.3000111.3V59 C62 Y63 Q66 Q227 P231 K232 C237 T238V59-I234 HydrophobicContact CG1-CD1 3.73Å; V59-I234 HydrophobicContact CG1-CG2 4.24Å; C62-I234 HydrophobicContact CB-CG2 3.72Å; Y63-I234 HydrophobicContact CE1-CD1 4.37Å; Y63-I234 WeakPolarHBondContact OH-CD1 3.3Å; Q66-I234 PolarHBondContact NE2-O 3.34Å; Q66-I234 VanDerWaalsContact NE2-O 3.15Å; Q227-I234 HydrophobicContact CB-CG1 3.93Å; Q227-I234 HydrophobicContact CG-CG1 3.74Å; P231-I234 WeakPolarHBondContact O-CD1 3.45Å; P231-I234 WeakPolarHBondContact O-CG1 3.45Å; P231-I234 PolarHBondContact O-N 2.81Å; K232-I234 VanDerWaalsContact C-N 3.32Å; K232-I234 PolarHBondContact O-N 3.43Å; I234-C237 PolarHBondContact O-N 3.13Å; I234-T238 PolarHBondContact O-N 3.42Å; I234-T238 PolarHBondContact O-OG1 3.46Å
235I95.9Very high95.8Very high56 Ų5654.1 Ų54.129%0.28728%0.284SS..Hα-helixtrans-61.6-54.3-179.4-61.2174.2000111.8L58 S233 C237 T238 I239L58-I235 HydrophobicContact CD2-CD1 4.45Å; S233-I235 PolarHBondContact O-N 3.39Å; I235-C237 VanDerWaalsContact C-N 3.31Å; I235-C237 PolarHBondContact O-N 3.37Å; I235-T238 WeakPolarHBondContact O-CB 3.3Å; I235-T238 PolarHBondContact O-N 3.27Å; I235-T238 VanDerWaalsContact O-N 3.12Å; I235-I239 HydrophobicContact CG2-CD1 3.84Å; I235-I239 HydrophobicContact CG2-CG1 4.47Å; I235-I239 WeakPolarHBondContact O-CG1 3.41Å; I235-I239 PolarHBondContact O-N 3.21Å
236P96.9Very high96.1Very high64 Ų6453.8 Ų53.842%0.41629%0.286SS..Hα-helixtrans-62.6-35.9178.922.2-31.9000112.7K232 S233 T238 I239 L240K232-P236 WeakPolarHBondContact O-CD 3.47Å; S233-P236 VanDerWaalsContact C-CD 3.5Å; S233-P236 WeakPolarHBondContact O-CD 3.48Å; S233-P236 VanDerWaalsContact O-CG 3.24Å; S233-P236 WeakPolarHBondContact O-CG 3.49Å; P236-T238 PolarHBondContact O-N 3.03Å; P236-I239 PolarHBondContact O-N 3.38Å; P236-L240 WeakPolarHBondContact O-CB 3.29Å; P236-L240 VanDerWaalsContact O-CG 3.27Å; P236-L240 WeakPolarHBondContact O-CG 3.46Å; P236-L240 PolarHBondContact O-N 2.81Å
237C96.6Very high96.2Very high21 Ų2155.2 Ų55.214%0.14230%0.299CS..Hα-helixtrans-62-41.3172.9-73.70000112.4S233 I234 I235 L240 L241S233-C237 VanDerWaalsContact O-CB 3.29Å; S233-C237 WeakPolarHBondContact O-CB 3.37Å; S233-C237 PolarHBondContact O-N 3.42Å; S233-C237 PolarHBondContact O-SG 3.33Å; I234-C237 PolarHBondContact O-N 3.13Å; I235-C237 VanDerWaalsContact C-N 3.31Å; I235-C237 PolarHBondContact O-N 3.37Å; C237-L240 PolarHBondContact O-N 3.4Å; C237-L241 WeakPolarHBondContact O-CB 3.41Å; C237-L241 WeakPolarHBondContact O-CG 3.26Å; C237-L241 PolarHBondContact O-N 3.26Å
238T97.4Very high96.2Very high3 Ų355.1 Ų55.12%0.01830%0.301CS..Hα-helixtrans-61.9-45.3174.6-54.50000111.2C62 M65 Q66 I234 I235 P236 L241 A242C62-T238 HydrophobicContact CB-CG2 4.28Å; C62-T238 VanDerWaalsContact CB-OG1 3.27Å; C62-T238 WeakPolarHBondContact CB-OG1 3.48Å; C62-T238 PolarHBondContact SG-OG1 2.9Å; M65-T238 HydrophobicContact CB-CG2 4.32Å; Q66-T238 HydrophobicContact CG-CG2 4.25Å; Q66-T238 WeakPolarHBondContact CG-OG1 3.35Å; Q66-T238 PolarHBondContact NE2-OG1 2.88Å; I234-T238 PolarHBondContact O-N 3.42Å; I234-T238 PolarHBondContact O-OG1 3.46Å; I235-T238 WeakPolarHBondContact O-CB 3.3Å; I235-T238 PolarHBondContact O-N 3.27Å; I235-T238 VanDerWaalsContact O-N 3.12Å; P236-T238 PolarHBondContact O-N 3.03Å; T238-L241 PolarHBondContact O-N 3.16Å; T238-A242 VanDerWaalsContact O-CB 3.31Å; T238-A242 WeakPolarHBondContact O-CB 3.43Å; T238-A242 PolarHBondContact O-N 3.32Å
239I97.5Very high96.5Very high88 Ų8851.1 Ų51.145%0.45128%0.283SS..Hα-helixtrans-62.5-46179.2-67.1168.8000110.4I235 P236 L241 A242 I243I235-I239 HydrophobicContact CG2-CD1 3.84Å; I235-I239 HydrophobicContact CG2-CG1 4.47Å; I235-I239 WeakPolarHBondContact O-CG1 3.41Å; I235-I239 PolarHBondContact O-N 3.21Å; P236-I239 PolarHBondContact O-N 3.38Å; I239-L241 PolarHBondContact O-N 3.39Å; I239-A242 WeakPolarHBondContact O-CB 3.36Å; I239-A242 PolarHBondContact O-N 2.88Å; I239-I243 HydrophobicContact CG2-CD1 3.74Å; I239-I243 HydrophobicContact CG2-CG1 4.35Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.34Å; I239-I243 PolarHBondContact O-N 3.25Å
240L97.6Very high96.6Very high112 Ų11251.1 Ų51.159%0.58628%0.284SS*.Hα-helixtrans-60.7-45.8177.6-72.3170.9000111.8P236 C237 A242 I243 S244P236-L240 WeakPolarHBondContact O-CB 3.29Å; P236-L240 VanDerWaalsContact O-CG 3.27Å; P236-L240 WeakPolarHBondContact O-CG 3.46Å; P236-L240 PolarHBondContact O-N 2.81Å; C237-L240 PolarHBondContact O-N 3.4Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 2.93Å; L240-I243 PolarHBondContact O-N 3.48Å; L240-S244 PolarHBondContact O-N 3.33Å; L240-S244 PolarHBondContact O-OG 3.18Å; L240-S244 VanDerWaalsContact O-OG 3.07Å
241L97.6Very high96.6Very high21 Ų2152.9 Ų52.911%0.1129%0.294CS..Hα-helixtrans-62.2-40.1175-76.8172.3000112Q66 L73 W219 C237 T238 I239 S244 V245Q66-L241 HydrophobicContact CB-CD1 4.16Å; Q66-L241 HydrophobicContact CG-CD1 3.97Å; L73-L241 HydrophobicContact CD1-CD2 3.8Å; W219-L241 HydrophobicContact CZ2-CD1 4.12Å; W219-L241 HydrophobicContact CZ2-CD2 4.32Å; C237-L241 WeakPolarHBondContact O-CB 3.41Å; C237-L241 WeakPolarHBondContact O-CG 3.26Å; C237-L241 PolarHBondContact O-N 3.26Å; T238-L241 PolarHBondContact O-N 3.16Å; I239-L241 PolarHBondContact O-N 3.39Å; L241-S244 PolarHBondContact O-N 3.04Å; L241-V245 WeakPolarHBondContact O-CG2 3.28Å; L241-V245 PolarHBondContact O-N 2.95Å
242A98.1Very high96.6Very high11 Ų1154.1 Ų54.19%0.09129%0.288CS..Hα-helixtrans-64.3-43.8177.500000111.6T238 I239 L240 S244 V245 V246 Y260 H264T238-A242 VanDerWaalsContact O-CB 3.31Å; T238-A242 WeakPolarHBondContact O-CB 3.43Å; T238-A242 PolarHBondContact O-N 3.32Å; I239-A242 WeakPolarHBondContact O-CB 3.36Å; I239-A242 PolarHBondContact O-N 2.88Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 2.93Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 3.42Å; A242-V245 PolarHBondContact O-N 3.09Å; A242-V246 VanDerWaalsContact O-CG2 3.29Å; A242-V246 WeakPolarHBondContact O-CG2 3.32Å; A242-V246 PolarHBondContact O-N 3.29Å; A242-Y260 WeakPolarHBondContact CA-OH 3.25Å; A242-Y260 HydrophobicContact CB-CE1 4.31Å; A242-H264 VanDerWaalsContact CB-CE1 3.43Å; A242-H264 WeakPolarHBondContact CB-CE1 3.4Å
243I98.1Very high96.7Very high92 Ų9247.8 Ų47.847%0.47227%0.265SS..Hα-helixtrans-59.9-46.2175.5-68.6166000110.1I239 L240 V245 V246 V247I239-I243 HydrophobicContact CG2-CD1 3.74Å; I239-I243 HydrophobicContact CG2-CG1 4.35Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.34Å; I239-I243 PolarHBondContact O-N 3.25Å; L240-I243 PolarHBondContact O-N 3.48Å; I243-V245 VanDerWaalsContact C-N 3.3Å; I243-V245 PolarHBondContact O-N 3.07Å; I243-V246 PolarHBondContact O-N 2.79Å; I243-V247 HydrophobicContact CG2-CG2 4.27Å; I243-V247 WeakPolarHBondContact O-CG2 3.35Å; I243-V247 PolarHBondContact O-N 3.3Å
244S97.2Very high96.7Very high63 Ų6355.8 Ų55.844%0.44130%0.295SS..Hα-helixtrans-57.8-41.7177.1-60.20000112.4L240 L241 A242 G248L240-S244 PolarHBondContact O-N 3.33Å; L240-S244 PolarHBondContact O-OG 3.18Å; L240-S244 VanDerWaalsContact O-OG 3.07Å; L241-S244 PolarHBondContact O-N 3.04Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 3.42Å; S244-G248 PolarHBondContact O-N 3.19Å
245V98.3Very high96.8Very high0 Ų060.2 Ų60.20%032%0.322CS..Hα-helixtrans-66.7-44.9175.41730000111.4L72 L73 I76 L241 A242 I243 V247 G248 L249 Y260L72-V245 HydrophobicContact CB-CG1 4.06Å; L72-V245 HydrophobicContact CB-CG2 4.32Å; L72-V245 HydrophobicContact CD1-CG1 3.98Å; L73-V245 HydrophobicContact CD1-CG2 4.39Å; L73-V245 HydrophobicContact CD2-CG2 3.84Å; L73-V245 HydrophobicContact CG-CG2 3.66Å; I76-V245 HydrophobicContact CD1-CG1 4.29Å; L241-V245 WeakPolarHBondContact O-CG2 3.28Å; L241-V245 PolarHBondContact O-N 2.95Å; A242-V245 PolarHBondContact O-N 3.09Å; I243-V245 VanDerWaalsContact C-N 3.3Å; I243-V245 PolarHBondContact O-N 3.07Å; V245-V247 PolarHBondContact O-N 3.19Å; V245-G248 PolarHBondContact O-N 3.33Å; V245-L249 HydrophobicContact CG1-CD1 3.67Å; V245-L249 HydrophobicContact CG1-CG 4.07Å; V245-L249 WeakPolarHBondContact O-CB 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 2.95Å; V245-Y260 HydrophobicContact CB-CE1 4.06Å; V245-Y260 HydrophobicContact CB-CE2 4.42Å; V245-Y260 HydrophobicContact CG1-CD1 3.97Å; V245-Y260 HydrophobicContact CG1-CD2 3.89Å; V245-Y260 HydrophobicContact CG1-CE1 3.83Å; V245-Y260 HydrophobicContact CG1-CE2 3.71Å; V245-Y260 HydrophobicContact CG1-CG 4Å
246V98.3Very high96.8Very high43 Ų4362.8 Ų62.826%0.26133%0.334SS..Hα-helixtrans-60.5-46.1179.2170.60000110.9A242 I243 L249 A250 Y260 V261A242-V246 VanDerWaalsContact O-CG2 3.29Å; A242-V246 WeakPolarHBondContact O-CG2 3.32Å; A242-V246 PolarHBondContact O-N 3.29Å; I243-V246 PolarHBondContact O-N 2.79Å; V246-L249 PolarHBondContact O-N 3.22Å; V246-A250 WeakPolarHBondContact O-CB 3.44Å; V246-A250 PolarHBondContact O-N 2.96Å; V246-Y260 HydrophobicContact CG2-CD1 3.64Å; V246-Y260 HydrophobicContact CG2-CE1 3.81Å; V246-V261 HydrophobicContact CG1-CG2 4.42Å; V246-V261 HydrophobicContact CG2-CG2 3.54Å
247V97.2Very high96.8Very high79 Ų7960 Ų6048%0.47932%0.317SS..Hα-helixtrans-62.1-46.9177.2173.10000110.5I243 V245 A250 Q251I243-V247 HydrophobicContact CG2-CG2 4.27Å; I243-V247 WeakPolarHBondContact O-CG2 3.35Å; I243-V247 PolarHBondContact O-N 3.3Å; V245-V247 PolarHBondContact O-N 3.19Å; V247-A250 PolarHBondContact O-N 3.29Å; V247-Q251 WeakPolarHBondContact O-CG 3.4Å; V247-Q251 PolarHBondContact O-N 3.47Å
248G95.9Very high96.9Very high8 Ų862.9 Ų62.98%0.08233%0.334CS..Hα-helixtrans-63-42.6178.600000113.4S244 V245S244-G248 PolarHBondContact O-N 3.19Å; V245-G248 PolarHBondContact O-N 3.33Å
249L97.4Very high96.9Very high20 Ų2066.4 Ų66.411%0.10536%0.355CS..Hα-helixtrans-69.7-36.2176.4-70177.8000112.2I76 V245 V246 Q251 W252 S253 M256 A257 Y260I76-L249 HydrophobicContact CD1-CD2 3.91Å; I76-L249 HydrophobicContact CD1-CG 3.89Å; I76-L249 HydrophobicContact CG1-CD2 3.93Å; I76-L249 HydrophobicContact CG1-CG 4.44Å; V245-L249 HydrophobicContact CG1-CD1 3.67Å; V245-L249 HydrophobicContact CG1-CG 4.07Å; V245-L249 WeakPolarHBondContact O-CB 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 2.95Å; V246-L249 PolarHBondContact O-N 3.22Å; L249-Q251 VanDerWaalsContact C-N 3.25Å; L249-Q251 PolarHBondContact O-N 2.92Å; L249-W252 WeakPolarHBondContact O-CA 3.31Å; L249-W252 WeakPolarHBondContact O-CB 3.38Å; L249-W252 PolarHBondContact O-N 3.26Å; L249-S253 CarbonylContact O-C 3.56Å; L249-S253 PolarHBondContact O-N 2.85Å; L249-S253 VanDerWaalsContact O-O 3.13Å; L249-M256 HydrophobicContact CD2-CB 4.46Å; L249-A257 HydrophobicContact CB-CB 3.98Å; L249-Y260 HydrophobicContact CD1-CG 4.04Å
250A96.3Very high96.9Very high26 Ų2662.9 Ų62.922%0.21534%0.336CS..Hα-helixtrans-66.9-27.1-179.500000112.6V246 V247 W252 Y254 A257V246-A250 WeakPolarHBondContact O-CB 3.44Å; V246-A250 PolarHBondContact O-N 2.96Å; V247-A250 PolarHBondContact O-N 3.29Å; A250-W252 PolarHBondContact O-N 3.29Å; A250-Y254 HydrophobicContact CB-CD1 4.23Å; A250-Y254 HydrophobicContact CB-CE1 4.34Å; A250-A257 HydrophobicContact CB-CB 4.02Å
251Q94.2Very high97Very high124 Ų12460.3 Ų60.358%0.57933%0.325SS*.THydrogen-bonded Turntrans-65-25.3170.6-69.6179.8-11.100112.7W85 V247 L249W85-Q251 HydrophobicContact CZ3-CB 4.28Å; V247-Q251 WeakPolarHBondContact O-CG 3.4Å; V247-Q251 PolarHBondContact O-N 3.47Å; L249-Q251 VanDerWaalsContact C-N 3.25Å; L249-Q251 PolarHBondContact O-N 2.92Å
252W92.4Very high97Very high110 Ų11063.6 Ų63.642%0.41734%0.342SS..THydrogen-bonded Turntrans-93.8-54.3178.5-105.277.7000112.6Y83 W85 L249 A250Y83-W252 AromaticContact CD2-CH2 3.89Å; Y83-W252 HydrophobicContact CD2-CH2 3.89Å; Y83-W252 AromaticContact CD2-CZ2 3.36Å; Y83-W252 HydrophobicContact CD2-CZ2 3.36Å; Y83-W252 AromaticContact CE2-CH2 3.17Å; Y83-W252 HydrophobicContact CE2-CH2 3.17Å; Y83-W252 AromaticContact CE2-CZ2 3.16Å; Y83-W252 HydrophobicContact CE2-CZ2 3.16Å; Y83-W252 HydrophobicContact CG-CZ2 4.29Å; Y83-W252 AromaticContact CZ-CH2 3.56Å; Y83-W252 AromaticContact CZ-CZ2 3.93Å; W85-W252 AromaticContact CH2-CD1 3.4Å; W85-W252 VanDerWaalsContact CH2-CD1 3.4Å; W85-W252 HydrophobicContact CH2-CD2 4.36Å; W85-W252 AromaticContact CH2-CG 3.99Å; W85-W252 HydrophobicContact CH2-CG 3.99Å; W85-W252 AromaticContact CH2-NE1 3.4Å; W85-W252 AromaticContact CZ3-CD1 3.23Å; W85-W252 HydrophobicContact CZ3-CG 4.19Å; W85-W252 AromaticContact CZ3-NE1 3.35Å; W85-W252 VanDerWaalsContact CZ3-NE1 3.35Å; L249-W252 WeakPolarHBondContact O-CA 3.31Å; L249-W252 WeakPolarHBondContact O-CB 3.38Å; L249-W252 PolarHBondContact O-N 3.26Å; A250-W252 PolarHBondContact O-N 3.29Å
253S95.8Very high97Very high41 Ų4166.4 Ų66.429%0.28736%0.357SS..  trans-160.7124.3-179174.90000110.7L249 V255 M256 A257L249-S253 CarbonylContact O-C 3.56Å; L249-S253 PolarHBondContact O-N 2.85Å; L249-S253 VanDerWaalsContact O-O 3.13Å; S253-V255 PolarHBondContact O-N 2.83Å; S253-V255 PolarHBondContact OG-N 3.34Å; S253-M256 PolarHBondContact O-N 3.02Å; S253-M256 VanDerWaalsContact O-N 3.14Å; S253-A257 PolarHBondContact O-N 3.03Å; S253-A257 VanDerWaalsContact O-N 3.15Å
254Y96.3Very high96.9Very high182 Ų18263.2 Ų63.271%0.71434%0.341SS*.Hα-helixtrans-58.6-28172.8-60.2-68.9000112.7A250 T258A250-Y254 HydrophobicContact CB-CD1 4.23Å; A250-Y254 HydrophobicContact CB-CE1 4.34Å; Y254-T258 WeakPolarHBondContact O-CB 3.21Å; Y254-T258 PolarHBondContact O-N 3.36Å; Y254-T258 PolarHBondContact O-OG1 3.24Å
255V97.9Very high97Very high101 Ų10164.5 Ų64.561%0.61234%0.342SS*.Hα-helixtrans-65.8-48.3176.5-178.40000110.1S253 A257 T258 V259S253-V255 PolarHBondContact O-N 2.83Å; S253-V255 PolarHBondContact OG-N 3.34Å; V255-A257 VanDerWaalsContact C-N 3.33Å; V255-A257 PolarHBondContact O-N 3.07Å; V255-T258 PolarHBondContact O-N 3.14Å; V255-V259 HydrophobicContact CG1-CG2 4.39Å; V255-V259 VanDerWaalsContact O-CG2 3.3Å; V255-V259 WeakPolarHBondContact O-CG2 3.21Å; V255-V259 PolarHBondContact O-N 3.16Å
256M95.7Very high96.9Very high109 Ų10968.5 Ų68.554%0.53736%0.362SS..Hα-helixtrans-62.1-42.1178.5-66-62.4-72.400111.6L249 S253 V259 Y260L249-M256 HydrophobicContact CD2-CB 4.46Å; S253-M256 PolarHBondContact O-N 3.02Å; S253-M256 VanDerWaalsContact O-N 3.14Å; M256-V259 PolarHBondContact O-N 3.4Å; M256-Y260 WeakPolarHBondContact O-CB 3.5Å; M256-Y260 PolarHBondContact O-N 3.09Å
257A97.6Very high96.8Very high7 Ų768.2 Ų68.26%0.05836%0.361CS..Hα-helixtrans-61.7-44.6175.500000111.9L249 A250 S253 V255 Y260 V261L249-A257 HydrophobicContact CB-CB 3.98Å; A250-A257 HydrophobicContact CB-CB 4.02Å; S253-A257 PolarHBondContact O-N 3.03Å; S253-A257 VanDerWaalsContact O-N 3.15Å; V255-A257 VanDerWaalsContact C-N 3.33Å; V255-A257 PolarHBondContact O-N 3.07Å; A257-Y260 PolarHBondContact O-N 3.47Å; A257-V261 WeakPolarHBondContact O-CG2 3.35Å; A257-V261 PolarHBondContact O-N 3.31Å
258T97.7Very high96.7Very high80 Ų8064.8 Ų64.849%0.49134%0.341SS..Hα-helixtrans-65.6-44.6179.3-56.40000111.5Y254 V255 Y260 V261 I262Y254-T258 WeakPolarHBondContact O-CB 3.21Å; Y254-T258 PolarHBondContact O-N 3.36Å; Y254-T258 PolarHBondContact O-OG1 3.24Å; V255-T258 PolarHBondContact O-N 3.14Å; T258-Y260 VanDerWaalsContact C-N 3.31Å; T258-Y260 PolarHBondContact O-N 3.28Å; T258-V261 PolarHBondContact O-N 3.48Å; T258-I262 HydrophobicContact CG2-CD1 4Å; T258-I262 WeakPolarHBondContact O-CG1 3.38Å; T258-I262 PolarHBondContact O-N 2.75Å
259V97.8Very high96.8Very high78 Ų7868.3 Ų68.347%0.47336%0.357SS..Hα-helixtrans-58.9-44.7175.5170.40000110.5V255 M256 V261 I262 V263V255-V259 HydrophobicContact CG1-CG2 4.39Å; V255-V259 VanDerWaalsContact O-CG2 3.3Å; V255-V259 WeakPolarHBondContact O-CG2 3.21Å; V255-V259 PolarHBondContact O-N 3.16Å; M256-V259 PolarHBondContact O-N 3.4Å; V259-V261 PolarHBondContact O-N 2.94Å; V259-I262 PolarHBondContact O-N 3.23Å; V259-V263 HydrophobicContact CG1-CG2 4.38Å; V259-V263 VanDerWaalsContact O-CG2 3.32Å; V259-V263 WeakPolarHBondContact O-CG2 3.39Å; V259-V263 PolarHBondContact O-N 2.79Å
260Y98.1Very high96.7Very high14 Ų1469.7 Ų69.76%0.05537%0.371CS..Hα-helixtrans-59.4-46.2175.7171.6-94.8000112.2M65 S69 L72 A242 V245 V246 L249 M256 A257 T258 I262 V263 H264M65-Y260 HydrophobicContact CE-CD2 4.35Å; M65-Y260 HydrophobicContact CE-CE2 3.38Å; S69-Y260 PolarHBondContact OG-OH 3.05Å; L72-Y260 HydrophobicContact CD1-CD2 3.37Å; L72-Y260 HydrophobicContact CD1-CE2 3.45Å; L72-Y260 VanDerWaalsContact CD1-CE2 3.45Å; A242-Y260 WeakPolarHBondContact CA-OH 3.25Å; A242-Y260 HydrophobicContact CB-CE1 4.31Å; V245-Y260 HydrophobicContact CB-CE1 4.06Å; V245-Y260 HydrophobicContact CB-CE2 4.42Å; V245-Y260 HydrophobicContact CG1-CD1 3.97Å; V245-Y260 HydrophobicContact CG1-CD2 3.89Å; V245-Y260 HydrophobicContact CG1-CE1 3.83Å; V245-Y260 HydrophobicContact CG1-CE2 3.71Å; V245-Y260 HydrophobicContact CG1-CG 4Å; V246-Y260 HydrophobicContact CG2-CD1 3.64Å; V246-Y260 HydrophobicContact CG2-CE1 3.81Å; L249-Y260 HydrophobicContact CD1-CG 4.04Å; M256-Y260 WeakPolarHBondContact O-CB 3.5Å; M256-Y260 PolarHBondContact O-N 3.09Å; A257-Y260 PolarHBondContact O-N 3.47Å; T258-Y260 VanDerWaalsContact C-N 3.31Å; T258-Y260 PolarHBondContact O-N 3.28Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-I262 PolarHBondContact O-N 2.83Å; Y260-V263 PolarHBondContact O-N 3.24Å; Y260-H264 HydrophobicContact CE1-CB 4.44Å; Y260-H264 AromaticContact CZ-ND1 3.66Å; Y260-H264 VanDerWaalsContact O-CB 3.26Å; Y260-H264 WeakPolarHBondContact O-CB 3.26Å; Y260-H264 PolarHBondContact O-N 3.44Å; Y260-H264 PolarHBondContact OH-ND1 2.65Å; Y260-H264 VanDerWaalsContact OH-ND1 3.12Å
261V98.1Very high96.7Very high57 Ų5771.4 Ų71.435%0.34538%0.381SS..Hα-helixtrans-59.9-45.2177.8172.20000110.9V246 A257 T258 V259 H264 L265V246-V261 HydrophobicContact CG1-CG2 4.42Å; V246-V261 HydrophobicContact CG2-CG2 3.54Å; A257-V261 WeakPolarHBondContact O-CG2 3.35Å; A257-V261 PolarHBondContact O-N 3.31Å; T258-V261 PolarHBondContact O-N 3.48Å; V259-V261 PolarHBondContact O-N 2.94Å; V261-H264 PolarHBondContact O-N 3.16Å; V261-L265 HydrophobicContact CG1-CD1 3.98Å; V261-L265 HydrophobicContact CG1-CG 4.4Å; V261-L265 WeakPolarHBondContact O-CB 3.43Å; V261-L265 VanDerWaalsContact O-CG 3.3Å; V261-L265 WeakPolarHBondContact O-CG 3.46Å; V261-L265 PolarHBondContact O-N 3.48Å
262I98.1Very high96.7Very high90 Ų9065.9 Ų65.946%0.46236%0.356SS..Hα-helixtrans-60.3-49.6177.8-68.4168.1000110.4T258 V259 Y260 H264 L265 I266T258-I262 HydrophobicContact CG2-CD1 4Å; T258-I262 WeakPolarHBondContact O-CG1 3.38Å; T258-I262 PolarHBondContact O-N 2.75Å; V259-I262 PolarHBondContact O-N 3.23Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-I262 PolarHBondContact O-N 2.83Å; I262-H264 VanDerWaalsContact C-N 3.33Å; I262-H264 PolarHBondContact O-N 3.27Å; I262-L265 PolarHBondContact O-N 2.82Å; I262-I266 HydrophobicContact CG2-CD1 3.71Å; I262-I266 HydrophobicContact CG2-CG1 4.39Å; I262-I266 VanDerWaalsContact O-CG1 3.28Å; I262-I266 WeakPolarHBondContact O-CG1 3.09Å; I262-I266 PolarHBondContact O-N 2.77Å
263V97.8Very high96.9Very high70 Ų7068.8 Ų68.842%0.42437%0.367SS..Hα-helixtrans-60.9-43.6178.4171.50000111V259 Y260 L265 I266 V267V259-V263 HydrophobicContact CG1-CG2 4.38Å; V259-V263 VanDerWaalsContact O-CG2 3.32Å; V259-V263 WeakPolarHBondContact O-CG2 3.39Å; V259-V263 PolarHBondContact O-N 2.79Å; Y260-V263 PolarHBondContact O-N 3.24Å; V263-L265 VanDerWaalsContact C-N 3.35Å; V263-L265 PolarHBondContact O-N 3.26Å; V263-I266 PolarHBondContact O-N 2.93Å; V263-V267 HydrophobicContact CG1-CG2 4.28Å; V263-V267 WeakPolarHBondContact O-CB 3.28Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V263-V267 PolarHBondContact O-N 3.33Å
264H97.8Very high96.9Very high25 Ų2570.8 Ų70.812%0.11637%0.374CS..Hα-helixtrans-59.9-44.7178.3-168.4114.5000111.4M65 A242 Y260 V261 I262 S268M65-H264 WeakPolarHBondContact CG-CE1 3.12Å; M65-H264 WeakPolarHBondContact CG-ND1 3.43Å; M65-H264 HydrophobicContact SD-CB 4.37Å; A242-H264 VanDerWaalsContact CB-CE1 3.43Å; A242-H264 WeakPolarHBondContact CB-CE1 3.4Å; Y260-H264 HydrophobicContact CE1-CB 4.44Å; Y260-H264 AromaticContact CZ-ND1 3.66Å; Y260-H264 VanDerWaalsContact O-CB 3.26Å; Y260-H264 WeakPolarHBondContact O-CB 3.26Å; Y260-H264 PolarHBondContact O-N 3.44Å; Y260-H264 PolarHBondContact OH-ND1 2.65Å; Y260-H264 VanDerWaalsContact OH-ND1 3.12Å; V261-H264 PolarHBondContact O-N 3.16Å; I262-H264 VanDerWaalsContact C-N 3.33Å; I262-H264 PolarHBondContact O-N 3.27Å; H264-S268 PolarHBondContact CD2-OG 2.95Å; H264-S268 WeakPolarHBondContact O-CB 3.32Å; H264-S268 PolarHBondContact O-N 3.47Å; H264-S268 PolarHBondContact O-OG 3.35Å
265L97.5Very high96.8Very high90 Ų9066.6 Ų66.647%0.47136%0.359SS..Hα-helixtrans-68.1-40.1177.4-69174.9000112.1V261 I262 V263 L269 A270V261-L265 HydrophobicContact CG1-CD1 3.98Å; V261-L265 HydrophobicContact CG1-CG 4.4Å; V261-L265 WeakPolarHBondContact O-CB 3.43Å; V261-L265 VanDerWaalsContact O-CG 3.3Å; V261-L265 WeakPolarHBondContact O-CG 3.46Å; V261-L265 PolarHBondContact O-N 3.48Å; I262-L265 PolarHBondContact O-N 2.82Å; V263-L265 VanDerWaalsContact C-N 3.35Å; V263-L265 PolarHBondContact O-N 3.26Å; L265-L269 HydrophobicContact CD2-CD1 3.95Å; L265-L269 WeakPolarHBondContact O-CA 3.41Å; L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 PolarHBondContact O-N 2.93Å; L265-A270 PolarHBondContact O-N 3.3Å
266I97.7Very high96.6Very high84 Ų8464 Ų6443%0.43134%0.341SS..Iπ-helixtrans-60.7-53.3175.4-71.1169.9000110I262 V263 A270 C271I262-I266 HydrophobicContact CG2-CD1 3.71Å; I262-I266 HydrophobicContact CG2-CG1 4.39Å; I262-I266 VanDerWaalsContact O-CG1 3.28Å; I262-I266 WeakPolarHBondContact O-CG1 3.09Å; I262-I266 PolarHBondContact O-N 2.77Å; V263-I266 PolarHBondContact O-N 2.93Å; I266-A270 HydrophobicContact CG2-CB 4.45Å; I266-A270 CarbonylContact O-C 3.55Å; I266-A270 WeakPolarHBondContact O-CA 3.49Å; I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.05Å; I266-C271 PolarHBondContact O-N 3.35Å; I266-C271 PolarHBondContact O-SG 3.08Å
267V96.1Very high96.6Very high37 Ų3761.2 Ų61.222%0.22434%0.336CS..Iπ-helixtrans-65.8-44.1-177.6173.70000111.3L64 V263L64-V267 HydrophobicContact CD2-CG1 3.8Å; V263-V267 HydrophobicContact CG1-CG2 4.28Å; V263-V267 WeakPolarHBondContact O-CB 3.28Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V263-V267 PolarHBondContact O-N 3.33Å
268S95.4Very high96.3Very high8 Ų865.2 Ų65.26%0.05636%0.355CS..Iπ-helixtrans-77.1-37-173.7-54.80000112.7L58 S61 H264 T272L58-S268 WeakPolarHBondContact CD1-O 3.37Å; S61-S268 PolarHBondContact OG-O 3.44Å; H264-S268 PolarHBondContact CD2-OG 2.95Å; H264-S268 WeakPolarHBondContact O-CB 3.32Å; H264-S268 PolarHBondContact O-N 3.47Å; H264-S268 PolarHBondContact O-OG 3.35Å; S268-T272 WeakPolarHBondContact O-CB 3.37Å; S268-T272 PolarHBondContact O-OG1 2.9Å
269L96.2Very high96Very high81 Ų8162.8 Ų62.842%0.42434%0.338SS..Iπ-helixtrans-112.1-56.5-173.7-55.5178.6000112.7F54 L58 L265 T272 W273F54-L269 HydrophobicContact CZ-CD2 4.31Å; L58-L269 HydrophobicContact CD1-CD2 4.02Å; L265-L269 HydrophobicContact CD2-CD1 3.95Å; L265-L269 WeakPolarHBondContact O-CA 3.41Å; L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 PolarHBondContact O-N 2.93Å; L269-T272 PolarHBondContact O-N 3.3Å; L269-W273 VanDerWaalsContact O-CB 3.29Å; L269-W273 WeakPolarHBondContact O-CB 3.42Å; L269-W273 PolarHBondContact O-N 3.2Å
270A95.8Very high95.5Very high49 Ų4964.3 Ų64.341%0.40535%0.349SS..Iπ-helixtrans-66.3-45.5-173.100000112.2L265 I266 W273 L274L265-A270 PolarHBondContact O-N 3.3Å; I266-A270 HydrophobicContact CG2-CB 4.45Å; I266-A270 CarbonylContact O-C 3.55Å; I266-A270 WeakPolarHBondContact O-CA 3.49Å; I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.05Å; A270-W273 PolarHBondContact O-N 3.44Å; A270-L274 VanDerWaalsContact O-CB 3.25Å; A270-L274 WeakPolarHBondContact O-CB 3.42Å; A270-L274 PolarHBondContact O-N 3.29Å
271C96.1Very high95Very high63 Ų6370 Ų7043%0.42638%0.38SS..Hα-helixtrans-65.6-40.7176.2-67.20000111.6I266 L274 F275I266-C271 PolarHBondContact O-N 3.35Å; I266-C271 PolarHBondContact O-SG 3.08Å; C271-L274 PolarHBondContact O-N 3.13Å; C271-F275 VanDerWaalsContact O-CB 3.26Å; C271-F275 WeakPolarHBondContact O-CB 3.49Å; C271-F275 PolarHBondContact O-N 3.32Å
272T95.9Very high94.4Very high7 Ų772.7 Ų72.74%0.04339%0.387CS..Hα-helixtrans-61.8-46.8174.9-55.40000111.1F54 A57 L58 S268 L269 F275 I276F54-T272 HydrophobicContact CD2-CG2 3.78Å; F54-T272 HydrophobicContact CE2-CG2 3.68Å; F54-T272 HydrophobicContact CG-CG2 4.46Å; F54-T272 HydrophobicContact CZ-CG2 4.3Å; A57-T272 HydrophobicContact CB-CG2 3.5Å; A57-T272 VanDerWaalsContact CB-CG2 3.5Å; L58-T272 HydrophobicContact CB-CG2 4.33Å; S268-T272 WeakPolarHBondContact O-CB 3.37Å; S268-T272 PolarHBondContact O-OG1 2.9Å; L269-T272 PolarHBondContact O-N 3.3Å; T272-F275 WeakPolarHBondContact O-CB 3.44Å; T272-F275 PolarHBondContact O-N 2.81Å; T272-I276 VanDerWaalsContact O-CG1 3.28Å; T272-I276 WeakPolarHBondContact O-CG1 3.07Å; T272-I276 PolarHBondContact O-N 3.41Å
273W95.9Very high93.8Very high171 Ų17179.1 Ų79.165%0.64841%0.406SS*.Hα-helixtrans-62.1-46.7176.8175.384.9000111.5F54 L269 A270 F275 I276 A277F54-W273 HydrophobicContact CE2-CB 4.2Å; L269-W273 VanDerWaalsContact O-CB 3.29Å; L269-W273 WeakPolarHBondContact O-CB 3.42Å; L269-W273 PolarHBondContact O-N 3.2Å; A270-W273 PolarHBondContact O-N 3.44Å; W273-F275 VanDerWaalsContact C-N 3.31Å; W273-F275 PolarHBondContact O-N 3.12Å; W273-I276 PolarHBondContact O-N 2.9Å; W273-A277 WeakPolarHBondContact O-CB 3.18Å; W273-A277 PolarHBondContact O-N 3.27Å
274L95.8Very high93.2Very high83 Ų8377.4 Ų77.444%0.43540%0.395SS..Hα-helixtrans-60.1-42.5177-177.865.7000111A270 C271 I276 A277 M278A270-L274 VanDerWaalsContact O-CB 3.25Å; A270-L274 WeakPolarHBondContact O-CB 3.42Å; A270-L274 PolarHBondContact O-N 3.29Å; C271-L274 PolarHBondContact O-N 3.13Å; L274-I276 PolarHBondContact O-N 3.22Å; L274-A277 PolarHBondContact O-N 2.98Å; L274-M278 HydrophobicContact CD1-CE 4.43Å; L274-M278 HydrophobicContact CD1-CG 4.24Å; L274-M278 HydrophobicContact CD1-SD 4.06Å; L274-M278 HydrophobicContact CD2-CE 4.25Å; L274-M278 HydrophobicContact CG-CE 3.76Å; L274-M278 HydrophobicContact CG-CG 4.49Å; L274-M278 HydrophobicContact CG-SD 4.04Å; L274-M278 WeakPolarHBondContact O-CB 3.41Å; L274-M278 VanDerWaalsContact O-CG 3.26Å; L274-M278 WeakPolarHBondContact O-CG 3.49Å; L274-M278 PolarHBondContact O-N 3.06Å
275F94.2Very high92.6Very high94 Ų9480.9 Ų80.941%0.41241%0.414SS..Hα-helixtrans-57.6-48.3175.2173.8-106.2000111.4W52 A57 C271 T272 W273 M278 Q279W52-F275 HydrophobicContact CB-CE1 4.19Å; W52-F275 AromaticContact CD1-CZ 3.94Å; W52-F275 HydrophobicContact CG-CE1 4.23Å; A57-F275 HydrophobicContact CB-CD1 4.07Å; A57-F275 HydrophobicContact CB-CE1 4.34Å; C271-F275 VanDerWaalsContact O-CB 3.26Å; C271-F275 WeakPolarHBondContact O-CB 3.49Å; C271-F275 PolarHBondContact O-N 3.32Å; T272-F275 WeakPolarHBondContact O-CB 3.44Å; T272-F275 PolarHBondContact O-N 2.81Å; W273-F275 VanDerWaalsContact C-N 3.31Å; W273-F275 PolarHBondContact O-N 3.12Å; F275-M278 PolarHBondContact O-N 2.7Å; F275-Q279 WeakPolarHBondContact O-CG 3.46Å; F275-Q279 PolarHBondContact O-N 3.32Å
276I94.2Very high92.1Very high46 Ų4678.9 Ų78.924%0.23640%0.402CS..Hα-helixtrans-63.2-44.8177.2-61.8-67.3000111.2W52 F54 A57 T272 W273 L274 M278 Q279W52-I276 WeakPolarHBondContact O-CD1 2.91Å; F54-I276 HydrophobicContact CB-CG1 4.34Å; F54-I276 HydrophobicContact CD2-CG1 4.24Å; A57-I276 HydrophobicContact CB-CD1 4.19Å; T272-I276 VanDerWaalsContact O-CG1 3.28Å; T272-I276 WeakPolarHBondContact O-CG1 3.07Å; T272-I276 PolarHBondContact O-N 3.41Å; W273-I276 PolarHBondContact O-N 2.9Å; L274-I276 PolarHBondContact O-N 3.22Å; I276-M278 PolarHBondContact O-N 2.81Å; I276-Q279 PolarHBondContact O-N 3.2Å
277A94.1Very high91.5Very high52 Ų5275.6 Ų75.643%0.4339%0.389SS..Hα-helixtrans-62.5-29.8179.300000112.9W273 L274 P280W273-A277 WeakPolarHBondContact O-CB 3.18Å; W273-A277 PolarHBondContact O-N 3.27Å; L274-A277 PolarHBondContact O-N 2.98Å; A277-P280 WeakPolarHBondContact O-CD 3.48Å
278M93.2Very high90.8Very high91 Ų9175.7 Ų75.745%0.44839%0.39SS..Hα-helixtrans-88.8-10.8178.5-66.7-174.5-51.200114.1L274 F275 I276 P280 L281L274-M278 HydrophobicContact CD1-CE 4.43Å; L274-M278 HydrophobicContact CD1-CG 4.24Å; L274-M278 HydrophobicContact CD1-SD 4.06Å; L274-M278 HydrophobicContact CD2-CE 4.25Å; L274-M278 HydrophobicContact CG-CE 3.76Å; L274-M278 HydrophobicContact CG-CG 4.49Å; L274-M278 HydrophobicContact CG-SD 4.04Å; L274-M278 WeakPolarHBondContact O-CB 3.41Å; L274-M278 VanDerWaalsContact O-CG 3.26Å; L274-M278 WeakPolarHBondContact O-CG 3.49Å; L274-M278 PolarHBondContact O-N 3.06Å; F275-M278 PolarHBondContact O-N 2.7Å; I276-M278 PolarHBondContact O-N 2.81Å; M278-P280 VanDerWaalsContact C-CD 3.42Å; M278-P280 VanDerWaalsContact C-N 3.34Å; M278-L281 HydrophobicContact CB-CD1 4.37Å; M278-L281 HydrophobicContact CG-CD1 4.33Å; M278-L281 WeakPolarHBondContact O-CB 3.45Å; M278-L281 PolarHBondContact O-N 2.81Å
279Q90.4Very high90.2Very high29 Ų2981.2 Ų81.214%0.13641%0.41CS..G310 helixtrans-55.2-40.8178.4-70.9-17112.900114L51 W52 F275 I276 L281 K282L51-Q279 HydrophobicContact CD2-CB 4.41Å; W52-Q279 VanDerWaalsContact N-OE1 3.17Å; W52-Q279 PolarHBondContact O-NE2 3.03Å; F275-Q279 WeakPolarHBondContact O-CG 3.46Å; F275-Q279 PolarHBondContact O-N 3.32Å; I276-Q279 PolarHBondContact O-N 3.2Å; Q279-L281 PolarHBondContact O-N 3.19Å; Q279-L281 VanDerWaalsContact O-N 3.16Å; Q279-K282 VanDerWaalsContact O-CB 3.32Å; Q279-K282 WeakPolarHBondContact O-CB 3.22Å; Q279-K282 PolarHBondContact O-N 3.3Å; Q279-K282 VanDerWaalsContact O-N 3.09Å
280P87Confident89.5Confident109 Ų10980.7 Ų80.771%0.70841%0.407SS*.G310 helixtrans-63.7-18.3177.8-22.734.9000114.4A277 M278 K282A277-P280 WeakPolarHBondContact O-CD 3.48Å; M278-P280 VanDerWaalsContact C-CD 3.42Å; M278-P280 VanDerWaalsContact C-N 3.34Å; P280-K282 PolarHBondContact O-N 2.74Å
281L88.1Confident88.8Confident133 Ų13387 Ų8770%0.69643%0.429SS*.G310 helixtrans-75.9-14.6176.9-60175.9000112.5M278 Q279 R283M278-L281 HydrophobicContact CB-CD1 4.37Å; M278-L281 HydrophobicContact CG-CD1 4.33Å; M278-L281 WeakPolarHBondContact O-CB 3.45Å; M278-L281 PolarHBondContact O-N 2.81Å; Q279-L281 PolarHBondContact O-N 3.19Å; Q279-L281 VanDerWaalsContact O-N 3.16Å; L281-R283 PolarHBondContact O-N 3.02Å
282K86Confident87.9Confident114 Ų11488.6 Ų88.650%0.49645%0.446SS..  trans-66.1122.7-179.1-167.8177.3-176.6-175.60110.3Q279 P280 T284Q279-K282 VanDerWaalsContact O-CB 3.32Å; Q279-K282 WeakPolarHBondContact O-CB 3.22Å; Q279-K282 PolarHBondContact O-N 3.3Å; Q279-K282 VanDerWaalsContact O-N 3.09Å; P280-K282 PolarHBondContact O-N 2.74Å; K282-T284 HydrophobicContact CD-CG2 4.47Å; K282-T284 HydrophobicContact CG-CG2 4.27Å
283R84.8Confident87Confident226 Ų22692.9 Ų92.985%0.85347%0.472SS*.  trans-122.2107.7173.1-66.1178177.4173.7-0.5108.4N46 L281N46-R283 WeakPolarHBondContact OD1-CA 3.31Å; L281-R283 PolarHBondContact O-N 3.02Å
284T84.9Confident86Confident33 Ų3390.8 Ų90.820%0.20248%0.478CS..  trans-104140.1171.457.90000109.5K45 N46 K282K45-T284 CarbonylContact C-O 3.58Å; K45-T284 WeakPolarHBondContact CA-O 3.34Å; N46-T284 WeakPolarHBondContact CA-OG1 3.35Å; N46-T284 PolarHBondContact N-O 3.22Å; N46-T284 PolarHBondContact OD1-N 3.43Å; N46-T284 PolarHBondContact OD1-O 3.15Å; K282-T284 HydrophobicContact CD-CG2 4.47Å; K282-T284 HydrophobicContact CG-CG2 4.27Å
285L86.5Confident85.1Confident98 Ų9892.8 Ų92.851%0.51348%0.48SS..EExtended strand (participates in β ladder)trans-117.2120.3176.3-66.7164.2000106.2L43 K45L43-L285 HydrophobicContact CD1-CB 4.3Å; L43-L285 HydrophobicContact CD1-CD2 4Å; L43-L285 HydrophobicContact CD2-CD2 3.83Å; L43-L285 HydrophobicContact CG-CD2 4.08Å; K45-L285 HydrophobicContact CD-CD2 4.29Å; K45-L285 HydrophobicContact CG-CD2 3.59Å
286H85.3Confident84Confident49 Ų4994.3 Ų94.323%0.22749%0.493CS..EExtended strand (participates in β ladder)trans-107.7147.9173.2-72.7-68.8000108.8L43 R44 E47 D290L43-H286 CarbonylContact C-O 3.27Å; L43-H286 WeakPolarHBondContact CA-O 3.23Å; R44-H286 HydrophobicContact CB-CB 4.16Å; R44-H286 PolarHBondContact N-O 2.81Å; R44-H286 PolarHBondContact O-N 2.93Å; E47-H286 PolarHBondContact O-NE2 3.19Å; H286-D290 WeakPolarHBondContact CA-OD2 3.18Å; H286-D290 WeakPolarHBondContact CB-OD2 3.27Å; H286-D290 IonicContact CE1-OD2 3.96Å; H286-D290 IonicContact CG-OD2 3.44Å; H286-D290 IonicContact ND1-OD2 2.79Å; H286-D290 PolarHBondContact ND1-OD2 3.34Å
287G86.3Confident82.5Confident14 Ų1498.1 Ų98.114%0.14451%0.514CS..  trans-158.1173.4-178.500000113.3W289 D290G287-W289 PolarHBondContact O-N 3.31Å; G287-D290 PolarHBondContact N-OD2 3.48Å; G287-D290 WeakPolarHBondContact O-CB 3.46Å; G287-D290 PolarHBondContact O-N 2.94Å
288P80.6Confident81Confident40 Ų40102 Ų10226%0.2653%0.527SS..THydrogen-bonded Turntrans-54.5-17.1176-29.535.7000116.1F39 F42F39-P288 HydrophobicContact CD2-CG 4.39Å; F39-P288 HydrophobicContact CE2-CB 4.29Å; F39-P288 HydrophobicContact CE2-CG 4.4Å; F42-P288 HydrophobicContact CB-CG 3.37Å; F42-P288 HydrophobicContact CD2-CG 4.11Å; F42-P288 HydrophobicContact CG-CG 4Å
289W82.2Confident79.1Confident124 Ų124100.6 Ų100.647%0.4752%0.524SS..THydrogen-bonded Turntrans-95.1-0.5-178.160.183.5000113.5F39 M40 L43 G287F39-W289 HydrophobicContact CD1-CZ3 4.35Å; F39-W289 HydrophobicContact CD2-CE3 4.45Å; F39-W289 HydrophobicContact CD2-CZ3 4.41Å; F39-W289 AromaticContact CE1-CE3 3.87Å; F39-W289 HydrophobicContact CE1-CE3 3.87Å; F39-W289 HydrophobicContact CE1-CH2 4.46Å; F39-W289 AromaticContact CE1-CZ3 3.61Å; F39-W289 HydrophobicContact CE1-CZ3 3.61Å; F39-W289 AromaticContact CE2-CE3 3.41Å; F39-W289 HydrophobicContact CE2-CE3 3.41Å; F39-W289 VanDerWaalsContact CE2-CE3 3.41Å; F39-W289 AromaticContact CE2-CZ3 3.72Å; F39-W289 HydrophobicContact CE2-CZ3 3.72Å; F39-W289 HydrophobicContact CZ-CD2 4Å; F39-W289 AromaticContact CZ-CE3 3.04Å; F39-W289 HydrophobicContact CZ-CE3 3.04Å; F39-W289 HydrophobicContact CZ-CH2 4.38Å; F39-W289 AromaticContact CZ-CZ3 3.26Å; F39-W289 HydrophobicContact CZ-CZ3 3.26Å; M40-W289 HydrophobicContact CE-CH2 3.56Å; M40-W289 HydrophobicContact CE-CZ3 3.48Å; M40-W289 VanDerWaalsContact CE-CZ3 3.48Å; L43-W289 HydrophobicContact CD1-CH2 3.63Å; L43-W289 HydrophobicContact CD1-CZ2 4.01Å; G287-W289 PolarHBondContact O-N 3.31Å
290D82.8Confident77.1Confident69 Ų69101.5 Ų101.537%0.36953%0.53SS..SBendtrans-62144.5176.2-72.6-9.9000110.1H286 G287 A292H286-D290 WeakPolarHBondContact CA-OD2 3.18Å; H286-D290 WeakPolarHBondContact CB-OD2 3.27Å; H286-D290 IonicContact CE1-OD2 3.96Å; H286-D290 IonicContact CG-OD2 3.44Å; H286-D290 IonicContact ND1-OD2 2.79Å; H286-D290 PolarHBondContact ND1-OD2 3.34Å; G287-D290 PolarHBondContact N-OD2 3.48Å; G287-D290 WeakPolarHBondContact O-CB 3.46Å; G287-D290 PolarHBondContact O-N 2.94Å; D290-A292 PolarHBondContact O-N 3.22Å
291E80.8Confident75.4Confident183 Ų183104 Ų10486%0.85553%0.529SS*.  trans-55.9130.2178.3-67.5175.1-17800110.3V293E291-V293 PolarHBondContact O-N 2.8Å; E291-V293 VanDerWaalsContact O-N 3.13Å
292A76.1Confident73.6Confident95 Ų95102.1 Ų102.179%0.78552%0.519SS*.  trans-65115.7174.300000109D290 V294D290-A292 PolarHBondContact O-N 3.22Å; A292-V294 PolarHBondContact O-N 2.81Å
293V77.8Confident71.9Confident98 Ų9898.3 Ų98.359%0.59451%0.509SS*.  trans-75.7112.9172.7-177.10000107.8E291 Y295E291-V293 PolarHBondContact O-N 2.8Å; E291-V293 VanDerWaalsContact O-N 3.13Å; V293-Y295 HydrophobicContact CB-CE2 4.25Å; V293-Y295 HydrophobicContact CG1-CD1 4.34Å; V293-Y295 HydrophobicContact CG1-CE1 3.97Å; V293-Y295 HydrophobicContact CG1-CE2 4.32Å; V293-Y295 WeakPolarHBondContact O-CD2 3.48Å; V293-Y295 PolarHBondContact O-N 2.99Å
294V75.8Confident70.3Confident127 Ų12793.8 Ų93.877%0.7750%0.496SS*.  trans-76.3108.4171.4-177.10000107.3A292A292-V294 PolarHBondContact O-N 2.81Å
295Y75.1Confident68.7Low124 Ų12494.8 Ų94.849%0.48650%0.504SS..  trans-80.9124.3169.5-62.5-77.3000108.4V293 T299V293-Y295 HydrophobicContact CB-CE2 4.25Å; V293-Y295 HydrophobicContact CG1-CD1 4.34Å; V293-Y295 HydrophobicContact CG1-CE1 3.97Å; V293-Y295 HydrophobicContact CG1-CE2 4.32Å; V293-Y295 WeakPolarHBondContact O-CD2 3.48Å; V293-Y295 PolarHBondContact O-N 2.99Å; Y295-T299 HydrophobicContact CD1-CG2 4.27Å
296D71.5Confident67Low127 Ų12796.3 Ų96.368%0.67951%0.508SS*.  trans-60.7150.1167.9-72.5-31.4000109.4D298 T299 N300D296-D298 PolarHBondContact O-N 3.2Å; D296-T299 WeakPolarHBondContact O-CA 3.3Å; D296-T299 WeakPolarHBondContact O-CB 3.34Å; D296-T299 PolarHBondContact O-N 2.84Å; D296-T299 PolarHBondContact O-OG1 3.27Å; D296-N300 PolarHBondContact O-N 2.76Å
297D64.3Low65.1Low126 Ų126100.9 Ų100.967%0.67453%0.53SS*.Hα-helixtrans-53.7-24.5-167.6-85.8-28.7000115.5N300D297-N300 PolarHBondContact O-N 3.31Å
298D62.2Low63.3Low133 Ų133104.5 Ų104.571%0.71155%0.553SS**Hα-helixtrans-68.7-33174.7-70.5-26.9000112.6D296D296-D298 PolarHBondContact O-N 3.2Å
299T52.6Low61.4Low61 Ų61108.8 Ų108.837%0.37457%0.573SS.*Hα-helixtrans-80.2-31.9173.65.90000112.5Y295 D296 K301 I302 A303Y295-T299 HydrophobicContact CD1-CG2 4.27Å; D296-T299 WeakPolarHBondContact O-CA 3.3Å; D296-T299 WeakPolarHBondContact O-CB 3.34Å; D296-T299 PolarHBondContact O-N 2.84Å; D296-T299 PolarHBondContact O-OG1 3.27Å; T299-K301 VanDerWaalsContact C-N 3.29Å; T299-K301 PolarHBondContact O-N 3.33Å; T299-I302 PolarHBondContact O-N 2.91Å; T299-A303 PolarHBondContact O-N 3.48Å
300N48.5Very low59.2Low49 Ų49110 Ų11026%0.26258%0.584SS.*Hα-helixtrans-57.7-41.4179.1-114.9-11.9000111.5D296 D297 I302 A303 F304D296-N300 PolarHBondContact O-N 2.76Å; D297-N300 PolarHBondContact O-N 3.31Å; N300-I302 VanDerWaalsContact C-N 3.26Å; N300-I302 PolarHBondContact O-N 3.09Å; N300-A303 PolarHBondContact O-N 3.46Å; N300-F304 HydrophobicContact CB-CD2 4.23Å; N300-F304 HydrophobicContact CB-CE2 4.2Å; N300-F304 WeakPolarHBondContact O-CB 3.45Å; N300-F304 WeakPolarHBondContact O-CD2 3.16Å; N300-F304 PolarHBondContact O-N 3.4Å; N300-F304 WeakPolarHBondContact OD1-CE2 3.5Å
301K50.7Low56.9Low160 Ų160111.9 Ų111.970%0.69660%0.6SS**Hα-helixtrans-59.3-36.5176.5-72.1177.4-176.41640112.9T299 S305T299-K301 VanDerWaalsContact C-N 3.29Å; T299-K301 PolarHBondContact O-N 3.33Å; K301-S305 WeakPolarHBondContact O-CB 3.31Å; K301-S305 PolarHBondContact O-N 3.05Å; K301-S305 PolarHBondContact O-OG 3.11Å
302I50.5Low55Low95 Ų95112.2 Ų112.249%0.48760%0.599SS.*Hα-helixtrans-76.4-47179.7-55.6173.4000109.7T299 N300 F304 S305 E306T299-I302 PolarHBondContact O-N 2.91Å; N300-I302 VanDerWaalsContact C-N 3.26Å; N300-I302 PolarHBondContact O-N 3.09Å; I302-F304 PolarHBondContact O-N 3.14Å; I302-S305 WeakPolarHBondContact O-CB 3.16Å; I302-S305 PolarHBondContact O-N 3.43Å; I302-S305 VanDerWaalsContact O-N 3.08Å; I302-S305 PolarHBondContact O-OG 3.18Å; I302-E306 PolarHBondContact O-N 3.37Å
303A49.7Very low52.9Low33 Ų33115 Ų11527%0.27360%0.6SS.*Hα-helixtrans-61.9-44.2179.500000112.6T299 N300 S305 E306 E307T299-A303 PolarHBondContact O-N 3.48Å; N300-A303 PolarHBondContact O-N 3.46Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 3.02Å; A303-E306 PolarHBondContact O-N 3.39Å; A303-E307 WeakPolarHBondContact O-CB 3.15Å; A303-E307 PolarHBondContact O-N 3.33Å
304F51.6Low50.7Low132 Ų132116.8 Ų116.858%0.57961%0.607SS**Hα-helixtrans-63.3-32.8174.3-78.7-65000112.3N300 I302 S308N300-F304 HydrophobicContact CB-CD2 4.23Å; N300-F304 HydrophobicContact CB-CE2 4.2Å; N300-F304 WeakPolarHBondContact O-CB 3.45Å; N300-F304 WeakPolarHBondContact O-CD2 3.16Å; N300-F304 PolarHBondContact O-N 3.4Å; N300-F304 WeakPolarHBondContact OD1-CE2 3.5Å; I302-F304 PolarHBondContact O-N 3.14Å; F304-S308 VanDerWaalsContact O-CB 3.23Å; F304-S308 WeakPolarHBondContact O-CB 3.23Å; F304-S308 PolarHBondContact O-N 3.08Å; F304-S308 PolarHBondContact O-OG 2.95Å
305S51.6Low48.8Very low53 Ų53119.5 Ų119.537%0.37161%0.613SS.*Hα-helixtrans-70.5-40.2175.875.80000112.4K301 I302 A303 S308 N309K301-S305 WeakPolarHBondContact O-CB 3.31Å; K301-S305 PolarHBondContact O-N 3.05Å; K301-S305 PolarHBondContact O-OG 3.11Å; I302-S305 WeakPolarHBondContact O-CB 3.16Å; I302-S305 PolarHBondContact O-N 3.43Å; I302-S305 VanDerWaalsContact O-N 3.08Å; I302-S305 PolarHBondContact O-OG 3.18Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 3.02Å; S305-S308 PolarHBondContact O-OG 3.12Å; S305-N309 PolarHBondContact O-N 3.44Å; S305-N309 PolarHBondContact O-ND2 2.93Å; S305-N309 VanDerWaalsContact O-ND2 3.16Å
306E50.5Low46.7Very low130 Ų130125 Ų12561%0.60763%0.633SS**Hα-helixtrans-70.1-41.4176.6-73.7-177166.100112.3I302 A303 S308 N309 H310I302-E306 PolarHBondContact O-N 3.37Å; A303-E306 PolarHBondContact O-N 3.39Å; E306-S308 VanDerWaalsContact C-N 3.35Å; E306-N309 PolarHBondContact O-N 2.88Å; E306-N309 VanDerWaalsContact O-N 3.12Å; E306-H310 PolarHBondContact O-N 2.81Å
307E45Very low44.8Very low146 Ų146122.2 Ų122.268%0.68263%0.634SS**Hα-helixtrans-72.1-30179.1-156.6167.5-157.200112A303 N309 H310A303-E307 WeakPolarHBondContact O-CB 3.15Å; A303-E307 PolarHBondContact O-N 3.33Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 2.86Å; E307-H310 PolarHBondContact O-N 2.9Å
308S49.6Very low43.5Very low90 Ų90131.9 Ų131.963%0.62966%0.661SS**Hα-helixtrans-67.5-26169.577.60000113.4F304 S305 E306F304-S308 VanDerWaalsContact O-CB 3.23Å; F304-S308 WeakPolarHBondContact O-CB 3.23Å; F304-S308 PolarHBondContact O-N 3.08Å; F304-S308 PolarHBondContact O-OG 2.95Å; S305-S308 PolarHBondContact O-OG 3.12Å; E306-S308 VanDerWaalsContact C-N 3.35Å
309N41.5Very low42.6Very low129 Ų129131.8 Ų131.869%0.6966%0.659SS**Hα-helixtrans-86.8-12.4178.8-81-33.5000113.4S305 E306 E307 P311S305-N309 PolarHBondContact O-N 3.44Å; S305-N309 PolarHBondContact O-ND2 2.93Å; S305-N309 VanDerWaalsContact O-ND2 3.16Å; E306-N309 PolarHBondContact O-N 2.88Å; E306-N309 VanDerWaalsContact O-N 3.12Å; E307-N309 VanDerWaalsContact C-N 3.26Å; E307-N309 PolarHBondContact O-N 2.86Å; N309-P311 WeakPolarHBondContact O-CD 3.49Å
310H34Very low42.1Very low151 Ų151135.5 Ų135.570%0.69967%0.674SS**SBendtrans-78.7110.4167.3-101.7-65.5000109.2E306 E307 K312E306-H310 PolarHBondContact O-N 2.81Å; E307-H310 PolarHBondContact O-N 2.9Å; H310-K312 PolarHBondContact O-N 2.96Å
311P36.2Very low41.7Very low108 Ų108140.3 Ų140.370%0.70170%0.697SS**  trans-60.4119.1179.423.3-31.3000108.3N309 N313N309-P311 WeakPolarHBondContact O-CD 3.49Å; P311-N313 VanDerWaalsContact C-N 3.33Å; P311-N313 PolarHBondContact O-N 3.44Å
312K39.3Very low41.2Very low190 Ų190139.2 Ų139.283%0.82670%0.697SS**  trans-49.1105.7165.4-76.4-178.3178.3176.80106.6H310 N314H310-K312 PolarHBondContact O-N 2.96Å; K312-N314 PolarHBondContact O-N 3.09Å
313N33.3Very low40.6Very low152 Ų152141.9 Ų141.981%0.81371%0.71SS**  trans-64.792.1176.4-139.2-0.4000105.4P311 M315P311-N313 VanDerWaalsContact C-N 3.33Å; P311-N313 PolarHBondContact O-N 3.44Å; N313-M315 PolarHBondContact O-N 3.24Å
314N31.7Very low40Very low136 Ų136149.2 Ų149.273%0.72774%0.739SS**  trans-64.387.9172.3-95.8-24.2000105.8K312 R316K312-N314 PolarHBondContact O-N 3.09Å; N314-R316 PolarHBondContact O-N 2.92Å
315M35Very low39.2Very low184 Ų184150.4 Ų150.491%0.90675%0.751SS**  trans-67.875155.3-78.8-160.8-89.300107.9N313N313-M315 PolarHBondContact O-N 3.24Å
316R31Very low38.2Very low239 Ų239157.9 Ų157.990%0.90278%0.78SS**  trans-109.794.4149.8-91.6-173.6174.3-172.6-0.9105.2N314N314-R316 PolarHBondContact O-N 2.92Å
317G32.8Very low37.2Very low69 Ų69160.3 Ų160.371%0.71179%0.794SS**  trans-158.277.3-178.100000111.7
318R36.9Very low36.5Very low329 Ų329161.5 Ų161.5100%1.24280%0.804SS**  trans66.90164.3-67.1-177.5-177.5-178.40.9117.7

Retrieved 318 of 318 residues in 400.5 ms (Link to these results)

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