A0A077ZBL0_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZBL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 521 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
1M49.1Very low67.2Low240 Ų240129.7 Ų129.7100%1.18268%0.678SS**  0-9.80-74.2-169.214300116.2
2K51.7Low68.1Low197 Ų197135.7 Ų135.786%0.85769%0.685SS**  trans-79.5-17.3-177.5-71.6-176.2177.8178.70116.3
3S56.8Low68.7Low106 Ų106138.7 Ų138.774%0.74168%0.683SS**Hα-helixtrans-71.9-35.6-174166.90000114.3S5 A6S3-S5 VanDerWaalsContact C-N 3.27Å; S3-S5 PolarHBondContact O-N 3.41Å; S3-A6 PolarHBondContact O-N 3.07Å
4S57.5Low69.5Low82 Ų82134.5 Ų134.557%0.57367%0.665SS**Hα-helixtrans-67.1-25.3-176.7-169.90000114Q8S4-Q8 PolarHBondContact O-N 3.46Å
5S70.5Confident70.2Confident65 Ų65136.7 Ų136.746%0.45567%0.669SS.*Hα-helixtrans-72.5-36.1-178.9-178.90000112.4S3 K9S3-S5 VanDerWaalsContact C-N 3.27Å; S3-S5 PolarHBondContact O-N 3.41Å; S5-K9 PolarHBondContact O-N 3.21Å
6A73Confident71.1Confident64 Ų64136.9 Ų136.953%0.52966%0.662SS.*Hα-helixtrans-69.4-43.2-179.300000111.6S3 Q8 K9 W10S3-A6 PolarHBondContact O-N 3.07Å; A6-Q8 PolarHBondContact O-N 2.86Å; A6-K9 PolarHBondContact O-N 3.13Å; A6-W10 PolarHBondContact O-N 3.4Å
7L74.8Confident71.4Confident131 Ų131135.5 Ų135.569%0.68665%0.652SS**Hα-helixtrans-65.1-38-179.7-152.881.6000112.2W10 T11L7-W10 PolarHBondContact O-N 3.29Å; L7-T11 WeakPolarHBondContact O-CG2 3.32Å; L7-T11 PolarHBondContact O-N 3.28Å; L7-T11 PolarHBondContact O-OG1 2.95Å
8Q75Confident71.8Confident139 Ų139133.2 Ų133.265%0.6564%0.644SS**Hα-helixtrans-67.3-36.1174.1-85.9-175.5-26.700112.8S4 A6 T11 R12S4-Q8 PolarHBondContact O-N 3.46Å; A6-Q8 PolarHBondContact O-N 2.86Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.42Å; Q8-T11 PolarHBondContact O-OG1 3.32Å; Q8-T11 VanDerWaalsContact O-OG1 3.07Å; Q8-R12 WeakPolarHBondContact O-CB 3.26Å; Q8-R12 PolarHBondContact O-N 2.9Å
9K75.4Confident72.2Confident143 Ų143133.6 Ų133.662%0.62264%0.642SS**Hα-helixtrans-66.3-41.8173.6-76.9-176.5-179.3-177.10111.5S5 A6 R12 W13S5-K9 PolarHBondContact O-N 3.21Å; A6-K9 PolarHBondContact O-N 3.13Å; K9-R12 PolarHBondContact O-N 2.87Å; K9-W13 PolarHBondContact O-N 2.68Å
10W74.7Confident72.2Confident184 Ų184130.7 Ų130.770%0.69763%0.627SS**Hα-helixtrans-63.7-48.9179.9-137.281.1000111.9A6 L7 R12 W13 D14A6-W10 PolarHBondContact O-N 3.4Å; L7-W10 PolarHBondContact O-N 3.29Å; W10-R12 VanDerWaalsContact C-N 3.27Å; W10-R12 PolarHBondContact O-N 3.35Å; W10-W13 WeakPolarHBondContact O-CB 3.25Å; W10-W13 PolarHBondContact O-N 3.48Å; W10-W13 VanDerWaalsContact O-N 3.1Å; W10-D14 WeakPolarHBondContact O-CB 3.22Å; W10-D14 PolarHBondContact O-N 3.04Å
11T80.4Confident72.3Confident76 Ų76126.7 Ų126.747%0.46662%0.616SS.*Hα-helixtrans-62.1-31.7176.848.60000113.5L7 Q8 K15L7-T11 WeakPolarHBondContact O-CG2 3.32Å; L7-T11 PolarHBondContact O-N 3.28Å; L7-T11 PolarHBondContact O-OG1 2.95Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.42Å; Q8-T11 PolarHBondContact O-OG1 3.32Å; Q8-T11 VanDerWaalsContact O-OG1 3.07Å; T11-K15 PolarHBondContact O-N 2.87Å; T11-K15 VanDerWaalsContact O-N 3.16Å
12R77.9Confident73.6Confident201 Ų201122.1 Ų122.176%0.75859%0.592SS**Hα-helixtrans-71.3-38.5174.4-165.1176-169.91622.5112.2Q8 K9 W10 Y16Q8-R12 WeakPolarHBondContact O-CB 3.26Å; Q8-R12 PolarHBondContact O-N 2.9Å; K9-R12 PolarHBondContact O-N 2.87Å; W10-R12 VanDerWaalsContact C-N 3.27Å; W10-R12 PolarHBondContact O-N 3.35Å; R12-Y16 PolarHBondContact O-N 3.28Å
13W76.1Confident74.6Confident175 Ų175116 Ų11666%0.66357%0.568SS**Hα-helixtrans-66.3-44.5174.1-90.955.7000111.3K9 W10 K15 Y16 F17K9-W13 PolarHBondContact O-N 2.68Å; W10-W13 WeakPolarHBondContact O-CB 3.25Å; W10-W13 PolarHBondContact O-N 3.48Å; W10-W13 VanDerWaalsContact O-N 3.1Å; W13-K15 VanDerWaalsContact C-N 3.35Å; W13-K15 PolarHBondContact O-N 2.94Å; W13-Y16 WeakPolarHBondContact O-CA 3.46Å; W13-Y16 WeakPolarHBondContact O-CB 3.49Å; W13-Y16 PolarHBondContact O-N 3.24Å; W13-F17 HydrophobicContact CD2-CE2 4.27Å; W13-F17 HydrophobicContact CE3-CD2 4.39Å; W13-F17 AromaticContact CE3-CE2 3.44Å; W13-F17 HydrophobicContact CE3-CE2 3.44Å; W13-F17 VanDerWaalsContact CE3-CE2 3.44Å; W13-F17 HydrophobicContact CE3-CZ 4.19Å; W13-F17 AromaticContact CZ3-CE2 3.7Å; W13-F17 HydrophobicContact CZ3-CE2 3.7Å; W13-F17 AromaticContact CZ3-CZ 3.98Å; W13-F17 HydrophobicContact CZ3-CZ 3.98Å; W13-F17 VanDerWaalsContact O-CD2 3.29Å; W13-F17 WeakPolarHBondContact O-CD2 3.44Å; W13-F17 PolarHBondContact O-N 2.98Å
14D79.8Confident75.3Confident80 Ų80117.3 Ų117.343%0.42856%0.563SS.*Hα-helixtrans-63.1-40.6-179-150.232.2000111.9W10 Y16 F17 N18W10-D14 WeakPolarHBondContact O-CB 3.22Å; W10-D14 PolarHBondContact O-N 3.04Å; D14-Y16 VanDerWaalsContact C-N 3.32Å; D14-Y16 PolarHBondContact O-N 3.28Å; D14-F17 PolarHBondContact O-N 3.28Å; D14-N18 WeakPolarHBondContact O-CB 3.23Å; D14-N18 PolarHBondContact O-N 3.26Å; D14-N18 PolarHBondContact O-ND2 2.78Å
15K80.2Confident75.7Confident167 Ų167120 Ų12073%0.72657%0.566SS**Hα-helixtrans-63-34.9170.4-83.6-174.7175.9-179.10113.3T11 W13 K19T11-K15 PolarHBondContact O-N 2.87Å; T11-K15 VanDerWaalsContact O-N 3.16Å; W13-K15 VanDerWaalsContact C-N 3.35Å; W13-K15 PolarHBondContact O-N 2.94Å; K15-K19 WeakPolarHBondContact O-CB 3.33Å; K15-K19 PolarHBondContact O-N 2.88Å
16Y84.7Confident75.6Confident141 Ų141123.4 Ų123.455%0.55357%0.573SS**Hα-helixtrans-69.8-45.7178.6178.3-96.3000111.2R12 W13 D14 K19 Q20R12-Y16 PolarHBondContact O-N 3.28Å; W13-Y16 WeakPolarHBondContact O-CA 3.46Å; W13-Y16 WeakPolarHBondContact O-CB 3.49Å; W13-Y16 PolarHBondContact O-N 3.24Å; D14-Y16 VanDerWaalsContact C-N 3.32Å; D14-Y16 PolarHBondContact O-N 3.28Å; Y16-K19 PolarHBondContact O-N 3.36Å; Y16-Q20 HydrophobicContact CD1-CG 4.47Å; Y16-Q20 HydrophobicContact CE1-CG 4.06Å; Y16-Q20 WeakPolarHBondContact O-CG 3.27Å; Y16-Q20 PolarHBondContact O-N 3.34Å; Y16-Q20 VanDerWaalsContact O-N 3.08Å; Y16-Q20 PolarHBondContact OH-NE2 3.35Å
17F76.7Confident75.4Confident112 Ų112128.5 Ų128.549%0.49158%0.58SS.*Hα-helixtrans-66.8-42.9178.1-78.8-72.6000113W13 D14 K19 Q20 A21W13-F17 HydrophobicContact CD2-CE2 4.27Å; W13-F17 HydrophobicContact CE3-CD2 4.39Å; W13-F17 AromaticContact CE3-CE2 3.44Å; W13-F17 HydrophobicContact CE3-CE2 3.44Å; W13-F17 VanDerWaalsContact CE3-CE2 3.44Å; W13-F17 HydrophobicContact CE3-CZ 4.19Å; W13-F17 AromaticContact CZ3-CE2 3.7Å; W13-F17 HydrophobicContact CZ3-CE2 3.7Å; W13-F17 AromaticContact CZ3-CZ 3.98Å; W13-F17 HydrophobicContact CZ3-CZ 3.98Å; W13-F17 VanDerWaalsContact O-CD2 3.29Å; W13-F17 WeakPolarHBondContact O-CD2 3.44Å; W13-F17 PolarHBondContact O-N 2.98Å; D14-F17 PolarHBondContact O-N 3.28Å; F17-K19 PolarHBondContact O-N 3.01Å; F17-Q20 PolarHBondContact O-N 2.86Å; F17-Q20 VanDerWaalsContact O-N 3.12Å; F17-A21 PolarHBondContact O-N 2.56Å
18N78.2Confident75Confident95 Ų95126.7 Ų126.751%0.50857%0.574SS.*Hα-helixtrans-60.5-36175.3-83.9-36.9000112.3D14 Q22D14-N18 WeakPolarHBondContact O-CB 3.23Å; D14-N18 PolarHBondContact O-N 3.26Å; D14-N18 PolarHBondContact O-ND2 2.78Å; N18-Q22 WeakPolarHBondContact O-CG 3.41Å; N18-Q22 PolarHBondContact O-N 3.16Å; N18-Q22 VanDerWaalsContact O-N 3.08Å
19K80.1Confident74.5Confident140 Ų140124 Ų12461%0.60957%0.567SS**Hα-helixtrans-69.3-36.1175.9-168176.2-178.1-178.60112.5K15 Y16 F17 N23K15-K19 WeakPolarHBondContact O-CB 3.33Å; K15-K19 PolarHBondContact O-N 2.88Å; Y16-K19 PolarHBondContact O-N 3.36Å; F17-K19 PolarHBondContact O-N 3.01Å; K19-N23 PolarHBondContact O-N 3.19Å
20Q72.5Confident73.9Confident75 Ų75122.8 Ų122.835%0.3556%0.564SS.*Hα-helixtrans-69.1-44.4175.3-68.8-64.80.400111.6Y16 F17 Q22 N23 E24Y16-Q20 HydrophobicContact CD1-CG 4.47Å; Y16-Q20 HydrophobicContact CE1-CG 4.06Å; Y16-Q20 WeakPolarHBondContact O-CG 3.27Å; Y16-Q20 PolarHBondContact O-N 3.34Å; Y16-Q20 VanDerWaalsContact O-N 3.08Å; Y16-Q20 PolarHBondContact OH-NE2 3.35Å; F17-Q20 PolarHBondContact O-N 2.86Å; F17-Q20 VanDerWaalsContact O-N 3.12Å; Q20-Q22 VanDerWaalsContact C-N 3.35Å; Q20-Q22 PolarHBondContact O-N 3.4Å; Q20-N23 PolarHBondContact O-N 3Å; Q20-N23 VanDerWaalsContact O-N 3.13Å; Q20-E24 PolarHBondContact O-N 3.41Å
21A73.4Confident73.4Confident48 Ų48119.7 Ų119.740%0.39756%0.56SS.*Hα-helixtrans-59.7-42.7176.700000112.4F17 N23 E24 Q25F17-A21 PolarHBondContact O-N 2.56Å; A21-N23 PolarHBondContact O-N 2.99Å; A21-E24 PolarHBondContact O-N 2.6Å; A21-Q25 WeakPolarHBondContact O-CB 3.29Å; A21-Q25 PolarHBondContact O-N 3.32Å
22Q75.6Confident73Confident143 Ų143120 Ų12067%0.66856%0.562SS**Hα-helixtrans-64.7-37175.3-76.4-176.4-11.900113.1N18 Q20 K26N18-Q22 WeakPolarHBondContact O-CG 3.41Å; N18-Q22 PolarHBondContact O-N 3.16Å; N18-Q22 VanDerWaalsContact O-N 3.08Å; Q20-Q22 VanDerWaalsContact C-N 3.35Å; Q20-Q22 PolarHBondContact O-N 3.4Å; Q22-K26 WeakPolarHBondContact O-CB 3.41Å; Q22-K26 PolarHBondContact O-N 2.92Å; Q22-K26 VanDerWaalsContact O-N 3.07Å
23N74.1Confident72.5Confident68 Ų68114.9 Ų114.936%0.36455%0.553SS.*Hα-helixtrans-68.1-46.7176.6-81.3-12.8000111.2K19 Q20 A21 Q25 K26 Y27K19-N23 PolarHBondContact O-N 3.19Å; Q20-N23 PolarHBondContact O-N 3Å; Q20-N23 VanDerWaalsContact O-N 3.13Å; A21-N23 PolarHBondContact O-N 2.99Å; N23-Q25 VanDerWaalsContact C-N 3.32Å; N23-Q25 PolarHBondContact O-N 2.98Å; N23-K26 WeakPolarHBondContact O-CB 3.4Å; N23-K26 PolarHBondContact O-N 3.14Å; N23-K26 VanDerWaalsContact O-N 3.17Å; N23-Y27 WeakPolarHBondContact O-CD2 3.43Å; N23-Y27 PolarHBondContact O-N 3.33Å
24E70.3Confident72.2Confident135 Ų135110.7 Ų110.763%0.63155%0.546SS*.Hα-helixtrans-57.2-45.7176.3-76.8-177.4170.100111.4Q20 A21 K26 Y27 V28Q20-E24 PolarHBondContact O-N 3.41Å; A21-E24 PolarHBondContact O-N 2.6Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 3.08Å; E24-Y27 PolarHBondContact O-N 3.44Å; E24-V28 WeakPolarHBondContact O-CG2 3.27Å; E24-V28 PolarHBondContact O-N 3.41Å
25Q66.8Low71.9Confident138 Ų138111.9 Ų111.965%0.64555%0.553SS**Hα-helixtrans-62.3-40178.1-165.1155.4-12.800111.9A21 N23 Y27 V28 T29A21-Q25 WeakPolarHBondContact O-CB 3.29Å; A21-Q25 PolarHBondContact O-N 3.32Å; N23-Q25 VanDerWaalsContact C-N 3.32Å; N23-Q25 PolarHBondContact O-N 2.98Å; Q25-Y27 PolarHBondContact O-N 3.37Å; Q25-V28 PolarHBondContact O-N 3.25Å; Q25-T29 PolarHBondContact O-N 3.46Å; Q25-T29 PolarHBondContact O-OG1 3.2Å
26K68.7Low71.7Confident137 Ų137107.6 Ų107.660%0.59654%0.54SS*.Hα-helixtrans-63.9-39175.7-168.4176.5-178.1178.70112.6Q22 N23 E24 Q30Q22-K26 WeakPolarHBondContact O-CB 3.41Å; Q22-K26 PolarHBondContact O-N 2.92Å; Q22-K26 VanDerWaalsContact O-N 3.07Å; N23-K26 WeakPolarHBondContact O-CB 3.4Å; N23-K26 PolarHBondContact O-N 3.14Å; N23-K26 VanDerWaalsContact O-N 3.17Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 3.08Å; K26-Q30 PolarHBondContact O-N 3.16Å
27Y68.2Low71.2Confident170 Ų170109 Ų10967%0.66755%0.545SS*.Hα-helixtrans-67.8-42.5175.7-80.5-71.9000111.9N23 E24 Q25 Q30 L31N23-Y27 WeakPolarHBondContact O-CD2 3.43Å; N23-Y27 PolarHBondContact O-N 3.33Å; E24-Y27 PolarHBondContact O-N 3.44Å; Q25-Y27 PolarHBondContact O-N 3.37Å; Y27-Q30 PolarHBondContact O-N 3.3Å; Y27-L31 WeakPolarHBondContact O-CB 3.47Å; Y27-L31 PolarHBondContact O-N 3.09Å
28V65.6Low71.2Confident94 Ų94106.9 Ų106.957%0.5754%0.539SS*.Hα-helixtrans-62.3-45.6176.3174.70000110.8E24 Q25 Q30 L31 V32E24-V28 WeakPolarHBondContact O-CG2 3.27Å; E24-V28 PolarHBondContact O-N 3.41Å; Q25-V28 PolarHBondContact O-N 3.25Å; V28-Q30 VanDerWaalsContact C-N 3.35Å; V28-Q30 PolarHBondContact O-N 2.9Å; V28-L31 PolarHBondContact O-N 3.29Å; V28-V32 HydrophobicContact CG1-CG2 4.49Å; V28-V32 VanDerWaalsContact O-CG2 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.2Å; V28-V32 PolarHBondContact O-N 3.11Å
29T64.9Low71.3Confident83 Ų83111.3 Ų111.351%0.50955%0.548SS..Hα-helixtrans-63.1-40.3177.4-46.50000111.9Q25 V33Q25-T29 PolarHBondContact O-N 3.46Å; Q25-T29 PolarHBondContact O-OG1 3.2Å; T29-V33 VanDerWaalsContact O-CG2 3.26Å; T29-V33 WeakPolarHBondContact O-CG2 3.36Å; T29-V33 PolarHBondContact O-N 3.33Å; T29-V33 VanDerWaalsContact O-N 3.12Å
30Q62.6Low71.3Confident116 Ų116112.9 Ų112.954%0.54255%0.55SS.*Hα-helixtrans-66.2-40.9176.1-80.6-164.4-24.300112.7K26 Y27 V28 V33 V34K26-Q30 PolarHBondContact O-N 3.16Å; Y27-Q30 PolarHBondContact O-N 3.3Å; V28-Q30 VanDerWaalsContact C-N 3.35Å; V28-Q30 PolarHBondContact O-N 2.9Å; Q30-V33 PolarHBondContact O-N 3.38Å; Q30-V34 WeakPolarHBondContact O-CG2 3.43Å; Q30-V34 PolarHBondContact O-N 3.46Å; Q30-V34 VanDerWaalsContact O-N 3.08Å
31L65.4Low71.7Confident119 Ų119114 Ų11462%0.62355%0.554SS**Hα-helixtrans-62.1-45.3178.3-15982.7000111.2Y27 V28 V33 V34 D35Y27-L31 WeakPolarHBondContact O-CB 3.47Å; Y27-L31 PolarHBondContact O-N 3.09Å; V28-L31 PolarHBondContact O-N 3.29Å; L31-V33 PolarHBondContact O-N 2.83Å; L31-V34 PolarHBondContact O-N 3.39Å; L31-D35 PolarHBondContact O-N 2.92Å
32V71Confident72.2Confident83 Ų83118 Ų11850%0.50357%0.565SS.*Hα-helixtrans-63-41.5178.3173.40000111.8V28 V34 D35 V36V28-V32 HydrophobicContact CG1-CG2 4.49Å; V28-V32 VanDerWaalsContact O-CG2 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.2Å; V28-V32 PolarHBondContact O-N 3.11Å; V32-V34 VanDerWaalsContact C-N 3.35Å; V32-V34 PolarHBondContact O-N 2.67Å; V32-D35 PolarHBondContact O-N 3.31Å; V32-V36 HydrophobicContact CG1-CG2 4.37Å; V32-V36 WeakPolarHBondContact O-CB 3.45Å; V32-V36 VanDerWaalsContact O-CG2 3.25Å; V32-V36 WeakPolarHBondContact O-CG2 3.31Å; V32-V36 PolarHBondContact O-N 2.93Å
33V67.7Low72.6Confident94 Ų94113 Ų11357%0.5755%0.547SS*.Hα-helixtrans-66.2-37.9178.6171.90000111.6T29 Q30 L31 W37T29-V33 VanDerWaalsContact O-CG2 3.26Å; T29-V33 WeakPolarHBondContact O-CG2 3.36Å; T29-V33 PolarHBondContact O-N 3.33Å; T29-V33 VanDerWaalsContact O-N 3.12Å; Q30-V33 PolarHBondContact O-N 3.38Å; L31-V33 PolarHBondContact O-N 2.83Å; V33-W37 VanDerWaalsContact O-CB 3.31Å; V33-W37 WeakPolarHBondContact O-CB 3.38Å; V33-W37 PolarHBondContact O-N 2.95Å; V33-W37 VanDerWaalsContact O-N 3.07Å
34V69.3Low73.1Confident86 Ų86116.6 Ų116.652%0.52156%0.56SS.*Hα-helixtrans-67-45.3177.1173.50000111Q30 L31 V32 W37 D38Q30-V34 WeakPolarHBondContact O-CG2 3.43Å; Q30-V34 PolarHBondContact O-N 3.46Å; Q30-V34 VanDerWaalsContact O-N 3.08Å; L31-V34 PolarHBondContact O-N 3.39Å; V32-V34 VanDerWaalsContact C-N 3.35Å; V32-V34 PolarHBondContact O-N 2.67Å; V34-W37 PolarHBondContact O-N 3.31Å; V34-D38 PolarHBondContact O-N 3.04Å
35D74Confident73.9Confident106 Ų106114.3 Ų114.357%0.56756%0.555SS**Hα-helixtrans-63.4-42.8178.5-82.8-14.8000112.4L31 V32 W37 D38 W39L31-D35 PolarHBondContact O-N 2.92Å; V32-D35 PolarHBondContact O-N 3.31Å; D35-W37 VanDerWaalsContact C-N 3.34Å; D35-W37 PolarHBondContact O-N 3.2Å; D35-D38 PolarHBondContact O-N 2.94Å; D35-W39 WeakPolarHBondContact O-CB 3.41Å; D35-W39 PolarHBondContact O-N 3.34Å
36V76.1Confident74.8Confident76 Ų76111.5 Ų111.546%0.46155%0.547SS..Hα-helixtrans-63.8-41.5176.9172.70000110.8V32 W39 W40V32-V36 HydrophobicContact CG1-CG2 4.37Å; V32-V36 WeakPolarHBondContact O-CB 3.45Å; V32-V36 VanDerWaalsContact O-CG2 3.25Å; V32-V36 WeakPolarHBondContact O-CG2 3.31Å; V32-V36 PolarHBondContact O-N 2.93Å; V36-W39 PolarHBondContact O-N 3.01Å; V36-W40 VanDerWaalsContact O-CD1 3.31Å; V36-W40 PolarHBondContact O-N 3.32Å
37W74.8Confident75.4Confident172 Ų172108.1 Ų108.165%0.65254%0.54SS*.Hα-helixtrans-66.4-40.7-179.8-172.2-109.1000112.5V33 V34 D35 W40 K41V33-W37 VanDerWaalsContact O-CB 3.31Å; V33-W37 WeakPolarHBondContact O-CB 3.38Å; V33-W37 PolarHBondContact O-N 2.95Å; V33-W37 VanDerWaalsContact O-N 3.07Å; V34-W37 PolarHBondContact O-N 3.31Å; D35-W37 VanDerWaalsContact C-N 3.34Å; D35-W37 PolarHBondContact O-N 3.2Å; W37-W40 PolarHBondContact O-N 3.26Å; W37-K41 WeakPolarHBondContact O-CG 3.38Å; W37-K41 PolarHBondContact O-N 3.01Å; W37-K41 VanDerWaalsContact O-N 3.15Å
38D76.4Confident76.1Confident67 Ų67104.9 Ų104.936%0.35853%0.529SS..Hα-helixtrans-68.1-37175.3-87.8-5.4000112V34 D35 W40 K41 H42V34-D38 PolarHBondContact O-N 3.04Å; D35-D38 PolarHBondContact O-N 2.94Å; D38-W40 VanDerWaalsContact C-N 3.34Å; D38-W40 PolarHBondContact O-N 3.29Å; D38-K41 PolarHBondContact O-N 3.43Å; D38-K41 IonicContact OD1-NZ 3.82Å; D38-K41 PolarHBondContact OD1-NZ 3.47Å; D38-H42 PolarHBondContact O-CD2 3.35Å; D38-H42 PolarHBondContact O-N 3.35Å; D38-H42 VanDerWaalsContact O-N 3.13Å
39W79.8Confident77.1Confident187 Ų187103.6 Ų103.671%0.70852%0.522SS*.Hα-helixtrans-60.7-42.8174.1-158.783.5000112.2D35 V36 K41 H42 A43D35-W39 WeakPolarHBondContact O-CB 3.41Å; D35-W39 PolarHBondContact O-N 3.34Å; V36-W39 PolarHBondContact O-N 3.01Å; W39-K41 PolarHBondContact O-N 3.27Å; W39-H42 PolarHBondContact O-N 2.54Å; W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 3.41Å
40W80.2Confident78.1Confident173 Ų173105.5 Ų105.566%0.65553%0.528SS*.Hα-helixtrans-63.2-38.1175.5-91.184.7000113.2V36 W37 D38 A43 F44V36-W40 VanDerWaalsContact O-CD1 3.31Å; V36-W40 PolarHBondContact O-N 3.32Å; W37-W40 PolarHBondContact O-N 3.26Å; D38-W40 VanDerWaalsContact C-N 3.34Å; D38-W40 PolarHBondContact O-N 3.29Å; W40-A43 PolarHBondContact O-N 3.19Å; W40-F44 VanDerWaalsContact O-CB 3.28Å; W40-F44 WeakPolarHBondContact O-CB 3.29Å; W40-F44 PolarHBondContact O-N 3.38Å
41K80.8Confident79.2Confident100 Ų100104.8 Ų104.844%0.43553%0.527SS..Hα-helixtrans-61.4-45.5174.7-69.5174.7-165155.90111.5W37 D38 W39 F44 V45W37-K41 WeakPolarHBondContact O-CG 3.38Å; W37-K41 PolarHBondContact O-N 3.01Å; W37-K41 VanDerWaalsContact O-N 3.15Å; D38-K41 PolarHBondContact O-N 3.43Å; D38-K41 IonicContact OD1-NZ 3.82Å; D38-K41 PolarHBondContact OD1-NZ 3.47Å; W39-K41 PolarHBondContact O-N 3.27Å; K41-F44 PolarHBondContact O-N 2.97Å; K41-V45 WeakPolarHBondContact O-CG2 3.2Å; K41-V45 PolarHBondContact O-N 2.98Å
42H83.9Confident79.9Confident132 Ų132101.3 Ų101.361%0.61151%0.512SS*.Hα-helixtrans-65.9-44.4178.3-73.3-67.2000111.8D38 W39 F44 V45 V46D38-H42 PolarHBondContact O-CD2 3.35Å; D38-H42 PolarHBondContact O-N 3.35Å; D38-H42 VanDerWaalsContact O-N 3.13Å; W39-H42 PolarHBondContact O-N 2.54Å; H42-F44 VanDerWaalsContact C-N 3.3Å; H42-F44 PolarHBondContact O-N 2.79Å; H42-V45 PolarHBondContact O-N 3.49Å; H42-V46 WeakPolarHBondContact O-CG2 3.49Å; H42-V46 PolarHBondContact O-N 3.4Å
43A84Confident80.7Confident36 Ų36100.7 Ų100.730%0.29851%0.505SS..Hα-helixtrans-59.8-40.717600000112W39 W40 C47W39-A43 WeakPolarHBondContact O-CB 3.44Å; W39-A43 PolarHBondContact O-N 3.41Å; W40-A43 PolarHBondContact O-N 3.19Å; A43-C47 WeakPolarHBondContact O-CB 3.19Å; A43-C47 PolarHBondContact O-N 3.4Å; A43-C47 PolarHBondContact O-SG 3.18Å
44F85.6Confident81.6Confident145 Ų14599.2 Ų99.264%0.63650%0.498SS*.Hα-helixtrans-64.7-45.8177.2-171.7-94.8000112.1W40 K41 H42 V46 C47 F48W40-F44 VanDerWaalsContact O-CB 3.28Å; W40-F44 WeakPolarHBondContact O-CB 3.29Å; W40-F44 PolarHBondContact O-N 3.38Å; K41-F44 PolarHBondContact O-N 2.97Å; H42-F44 VanDerWaalsContact C-N 3.3Å; H42-F44 PolarHBondContact O-N 2.79Å; F44-V46 PolarHBondContact O-N 3.46Å; F44-C47 PolarHBondContact O-N 3.26Å; F44-F48 VanDerWaalsContact O-CB 3.27Å; F44-F48 WeakPolarHBondContact O-CB 3.38Å; F44-F48 PolarHBondContact O-N 2.77Å
45V86.9Confident82.3Confident86 Ų86101.1 Ų101.152%0.52150%0.501SS..Hα-helixtrans-63.9-41178.3172.50000111.5K41 H42 F48 T49K41-V45 WeakPolarHBondContact O-CG2 3.2Å; K41-V45 PolarHBondContact O-N 2.98Å; H42-V45 PolarHBondContact O-N 3.49Å; V45-F48 PolarHBondContact O-N 3.24Å; V45-T49 HydrophobicContact CG1-CG2 4.45Å; V45-T49 WeakPolarHBondContact O-CB 3.29Å; V45-T49 VanDerWaalsContact O-CG2 3.28Å; V45-T49 WeakPolarHBondContact O-CG2 3.42Å; V45-T49 PolarHBondContact O-N 3.34Å; V45-T49 PolarHBondContact O-OG1 2.93Å
46V86.1Confident82.9Confident79 Ų79100.3 Ų100.348%0.47950%0.496SS..Hα-helixtrans-67.4-44.4177.4174.10000111.1H42 F44 F48 T49 L50H42-V46 WeakPolarHBondContact O-CG2 3.49Å; H42-V46 PolarHBondContact O-N 3.4Å; F44-V46 PolarHBondContact O-N 3.46Å; V46-F48 PolarHBondContact O-N 3.44Å; V46-T49 PolarHBondContact O-N 3.27Å; V46-T49 PolarHBondContact O-OG1 2.94Å; V46-T49 VanDerWaalsContact O-OG1 3.11Å; V46-L50 HydrophobicContact CG1-CD1 3.63Å; V46-L50 HydrophobicContact CG1-CG 4.28Å; V46-L50 WeakPolarHBondContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 2.82Å
47C80.3Confident83.4Confident67 Ų67103.5 Ų103.545%0.45350%0.503SS..Hα-helixtrans-63.3-42.7176.6-72.80000111.7A43 F44 I51A43-C47 WeakPolarHBondContact O-CB 3.19Å; A43-C47 PolarHBondContact O-N 3.4Å; A43-C47 PolarHBondContact O-SG 3.18Å; F44-C47 PolarHBondContact O-N 3.26Å; C47-I51 HydrophobicContact CB-CD1 4.49Å; C47-I51 VanDerWaalsContact O-CB 3.22Å; C47-I51 WeakPolarHBondContact O-CB 3.4Å; C47-I51 WeakPolarHBondContact O-CG1 3.41Å; C47-I51 PolarHBondContact O-N 2.91Å
48F82.7Confident83.9Confident102 Ų10299.6 Ų99.645%0.44750%0.499SS..Iπ-helixtrans-65.1-41.5179.5-168.7-95000111.9F44 V45 V46 C52 I53F44-F48 VanDerWaalsContact O-CB 3.27Å; F44-F48 WeakPolarHBondContact O-CB 3.38Å; F44-F48 PolarHBondContact O-N 2.77Å; V45-F48 PolarHBondContact O-N 3.24Å; V46-F48 PolarHBondContact O-N 3.44Å; F48-C52 HydrophobicContact CD2-CB 3.93Å; F48-C52 HydrophobicContact CE2-CB 4.06Å; F48-C52 HydrophobicContact CG-CB 4.3Å; F48-C52 VanDerWaalsContact O-CB 3.27Å; F48-C52 WeakPolarHBondContact O-CB 3.44Å; F48-C52 PolarHBondContact O-N 3.5Å; F48-C52 VanDerWaalsContact O-N 3.13Å; F48-I53 PolarHBondContact O-N 3.34Å
49T87.4Confident84.2Confident66 Ų66102.4 Ų102.441%0.40551%0.508SS..Iπ-helixtrans-73.5-38.918051.90000113.1V45 V46 I53V45-T49 HydrophobicContact CG1-CG2 4.45Å; V45-T49 WeakPolarHBondContact O-CB 3.29Å; V45-T49 VanDerWaalsContact O-CG2 3.28Å; V45-T49 WeakPolarHBondContact O-CG2 3.42Å; V45-T49 PolarHBondContact O-N 3.34Å; V45-T49 PolarHBondContact O-OG1 2.93Å; V46-T49 PolarHBondContact O-N 3.27Å; V46-T49 PolarHBondContact O-OG1 2.94Å; V46-T49 VanDerWaalsContact O-OG1 3.11Å; T49-I53 HydrophobicContact CG2-CD1 4.16Å
50L85.3Confident84.5Confident124 Ų12498.1 Ų98.165%0.64950%0.498SS*.Iπ-helixtrans-84.9-28.3-177.6-65.4-179.5000114.1V46 P54V46-L50 HydrophobicContact CG1-CD1 3.63Å; V46-L50 HydrophobicContact CG1-CG 4.28Å; V46-L50 WeakPolarHBondContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 2.82Å; L50-P54 WeakPolarHBondContact O-CG 3.47Å
51I84.8Confident84.5Confident100 Ų10097.2 Ų97.251%0.51350%0.495SS..Iπ-helixtrans-106.1-53.4-175.1-54.2176.1000110.7C47 Q55C47-I51 HydrophobicContact CB-CD1 4.49Å; C47-I51 VanDerWaalsContact O-CB 3.22Å; C47-I51 WeakPolarHBondContact O-CB 3.4Å; C47-I51 WeakPolarHBondContact O-CG1 3.41Å; C47-I51 PolarHBondContact O-N 2.91Å; I51-Q55 HydrophobicContact CG2-CG 4.44Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 WeakPolarHBondContact O-CG 3.36Å; I51-Q55 PolarHBondContact O-N 3.41Å
52C81.9Confident84.4Confident47 Ų4796.1 Ų96.132%0.31850%0.497SS..Iπ-helixtrans-73.5-44.5-170-59.80000112.2F48 Q55 I56F48-C52 HydrophobicContact CD2-CB 3.93Å; F48-C52 HydrophobicContact CE2-CB 4.06Å; F48-C52 HydrophobicContact CG-CB 4.3Å; F48-C52 VanDerWaalsContact O-CB 3.27Å; F48-C52 WeakPolarHBondContact O-CB 3.44Å; F48-C52 PolarHBondContact O-N 3.5Å; F48-C52 VanDerWaalsContact O-N 3.13Å; C52-Q55 PolarHBondContact O-N 3.41Å; C52-I56 VanDerWaalsContact O-CG1 3.29Å; C52-I56 WeakPolarHBondContact O-CG1 3.45Å; C52-I56 PolarHBondContact O-N 3.14Å
53I86.4Confident83.9Confident69 Ų6995.2 Ų95.235%0.35449%0.491SS..Hα-helixtrans-60-50.3-177.9-62.2179.1000111.3F48 T49 Q55 I56 F57F48-I53 PolarHBondContact O-N 3.34Å; T49-I53 HydrophobicContact CG2-CD1 4.16Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 3.25Å; I53-I56 PolarHBondContact O-N 2.97Å; I53-F57 HydrophobicContact CG2-CD2 3.86Å; I53-F57 HydrophobicContact CG2-CE2 3.54Å; I53-F57 WeakPolarHBondContact O-CD2 3.31Å; I53-F57 PolarHBondContact O-N 3.35Å
54P87.3Confident83.4Confident63 Ų63100.5 Ų100.541%0.40951%0.508SS..Hα-helixtrans-63.7-36.7177.6-24.236.4000113.3L50 I56 F57 V58L50-P54 WeakPolarHBondContact O-CG 3.47Å; P54-I56 VanDerWaalsContact C-N 3.32Å; P54-I56 PolarHBondContact O-N 3.36Å; P54-F57 PolarHBondContact O-N 3.14Å; P54-V58 WeakPolarHBondContact O-CG2 3.4Å; P54-V58 PolarHBondContact O-N 3.49Å
55Q83Confident82.7Confident126 Ų12699.5 Ų99.559%0.58950%0.503SS*.Hα-helixtrans-62.8-39177.3-69.6-93.8-42.700111.7I51 C52 I53 V58 F59I51-Q55 HydrophobicContact CG2-CG 4.44Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 WeakPolarHBondContact O-CG 3.36Å; I51-Q55 PolarHBondContact O-N 3.41Å; C52-Q55 PolarHBondContact O-N 3.41Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 3.25Å; Q55-V58 PolarHBondContact O-N 3.3Å; Q55-F59 WeakPolarHBondContact O-CB 3.32Å; Q55-F59 PolarHBondContact O-N 3.32Å
56I86.3Confident81.1Confident90 Ų90104.1 Ų104.146%0.46251%0.511SS..Hα-helixtrans-64.9-44.2176.4-68.5163.3000110.6C52 I53 P54 V58 F59 I60C52-I56 VanDerWaalsContact O-CG1 3.29Å; C52-I56 WeakPolarHBondContact O-CG1 3.45Å; C52-I56 PolarHBondContact O-N 3.14Å; I53-I56 PolarHBondContact O-N 2.97Å; P54-I56 VanDerWaalsContact C-N 3.32Å; P54-I56 PolarHBondContact O-N 3.36Å; I56-V58 PolarHBondContact O-N 3.11Å; I56-F59 PolarHBondContact O-N 2.81Å; I56-I60 HydrophobicContact CG2-CD1 3.85Å; I56-I60 HydrophobicContact CG2-CG1 4.46Å; I56-I60 WeakPolarHBondContact O-CG1 3.44Å; I56-I60 PolarHBondContact O-N 2.92Å
57F87.3Confident79.6Confident142 Ų142103.8 Ų103.862%0.62351%0.513SS*.Hα-helixtrans-62.8-42.6176.1-78.6-71.7000112.5I53 P54 F59 I60 Y61I53-F57 HydrophobicContact CG2-CD2 3.86Å; I53-F57 HydrophobicContact CG2-CE2 3.54Å; I53-F57 WeakPolarHBondContact O-CD2 3.31Å; I53-F57 PolarHBondContact O-N 3.35Å; P54-F57 PolarHBondContact O-N 3.14Å; F57-F59 VanDerWaalsContact C-N 3.32Å; F57-F59 PolarHBondContact O-N 3.33Å; F57-I60 PolarHBondContact O-N 2.9Å; F57-Y61 WeakPolarHBondContact O-CB 3.5Å; F57-Y61 PolarHBondContact O-N 3.41Å
58V85.8Confident78.5Confident91 Ų91105.7 Ų105.755%0.55252%0.518SS*.Hα-helixtrans-62.4-41.7174.9172.50000110.6P54 Q55 I56 Y61 V62P54-V58 WeakPolarHBondContact O-CG2 3.4Å; P54-V58 PolarHBondContact O-N 3.49Å; Q55-V58 PolarHBondContact O-N 3.3Å; I56-V58 PolarHBondContact O-N 3.11Å; V58-Y61 PolarHBondContact O-N 3.43Å; V58-V62 HydrophobicContact CG1-CG2 4.3Å; V58-V62 WeakPolarHBondContact O-CB 3.43Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.48Å
59F83.2Confident77Confident126 Ų126106 Ų10655%0.55353%0.528SS*.Hα-helixtrans-63.3-47.3178.3-175.9-97.1000111.9Q55 I56 F57 Y61 V62 F63Q55-F59 WeakPolarHBondContact O-CB 3.32Å; Q55-F59 PolarHBondContact O-N 3.32Å; I56-F59 PolarHBondContact O-N 2.81Å; F57-F59 VanDerWaalsContact C-N 3.32Å; F57-F59 PolarHBondContact O-N 3.33Å; F59-Y61 VanDerWaalsContact C-N 3.31Å; F59-Y61 PolarHBondContact O-N 3.35Å; F59-V62 PolarHBondContact O-N 3.4Å; F59-F63 HydrophobicContact CD1-CD2 4.33Å; F59-F63 HydrophobicContact CD2-CD2 4.41Å; F59-F63 AromaticContact CE1-CD2 3.71Å; F59-F63 HydrophobicContact CE1-CD2 3.71Å; F59-F63 AromaticContact CE1-CE2 3.98Å; F59-F63 HydrophobicContact CE1-CE2 3.98Å; F59-F63 HydrophobicContact CE1-CG 4.47Å; F59-F63 AromaticContact CE2-CD2 3.81Å; F59-F63 HydrophobicContact CE2-CD2 3.81Å; F59-F63 AromaticContact CE2-CE2 3.75Å; F59-F63 HydrophobicContact CE2-CE2 3.75Å; F59-F63 AromaticContact CZ-CD2 3.42Å; F59-F63 HydrophobicContact CZ-CD2 3.42Å; F59-F63 VanDerWaalsContact CZ-CD2 3.42Å; F59-F63 AromaticContact CZ-CE2 3.3Å; F59-F63 HydrophobicContact CZ-CE2 3.3Å; F59-F63 HydrophobicContact CZ-CZ 4.32Å; F59-F63 WeakPolarHBondContact O-CB 3.48Å; F59-F63 PolarHBondContact O-N 3.46Å
60I84.7Confident74.8Confident97 Ų97108 Ų10850%0.49754%0.543SS..Hα-helixtrans-60.6-42.3176-67.3168.6000110.6I56 F57 F63 K64I56-I60 HydrophobicContact CG2-CD1 3.85Å; I56-I60 HydrophobicContact CG2-CG1 4.46Å; I56-I60 WeakPolarHBondContact O-CG1 3.44Å; I56-I60 PolarHBondContact O-N 2.92Å; F57-I60 PolarHBondContact O-N 2.9Å; I60-F63 PolarHBondContact O-N 2.97Å; I60-K64 WeakPolarHBondContact O-CB 3.37Å; I60-K64 PolarHBondContact O-N 3.37Å
61Y80.3Confident72.9Confident153 Ų153106.1 Ų106.160%0.655%0.546SS*.Hα-helixtrans-62.8-45.6177.5-178.7-96.2000112.2F57 V58 F59 K64 K65F57-Y61 WeakPolarHBondContact O-CB 3.5Å; F57-Y61 PolarHBondContact O-N 3.41Å; V58-Y61 PolarHBondContact O-N 3.43Å; F59-Y61 VanDerWaalsContact C-N 3.31Å; F59-Y61 PolarHBondContact O-N 3.35Å; Y61-K64 PolarHBondContact O-N 3.17Å; Y61-K65 HydrophobicContact CE1-CD 4.32Å; Y61-K65 WeakPolarHBondContact O-CB 3.43Å; Y61-K65 PolarHBondContact O-N 3.05Å
62V80.1Confident70.7Confident78 Ų78110 Ų11047%0.47356%0.562SS.*Hα-helixtrans-66.1-41.4178.4171.20000111.2V58 F59 K65 R66V58-V62 HydrophobicContact CG1-CG2 4.3Å; V58-V62 WeakPolarHBondContact O-CB 3.43Å; V58-V62 VanDerWaalsContact O-CG2 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.48Å; F59-V62 PolarHBondContact O-N 3.4Å; V62-K65 PolarHBondContact O-N 3.19Å; V62-R66 WeakPolarHBondContact O-CB 3.48Å; V62-R66 PolarHBondContact O-N 3.1Å
63F72.2Confident68.5Low112 Ų112112.4 Ų112.449%0.49158%0.579SS.*Hα-helixtrans-64.8-45.4177.8-115.3-91.6000111.6F59 I60 K65 R66 S67F59-F63 HydrophobicContact CD1-CD2 4.33Å; F59-F63 HydrophobicContact CD2-CD2 4.41Å; F59-F63 AromaticContact CE1-CD2 3.71Å; F59-F63 HydrophobicContact CE1-CD2 3.71Å; F59-F63 AromaticContact CE1-CE2 3.98Å; F59-F63 HydrophobicContact CE1-CE2 3.98Å; F59-F63 HydrophobicContact CE1-CG 4.47Å; F59-F63 AromaticContact CE2-CD2 3.81Å; F59-F63 HydrophobicContact CE2-CD2 3.81Å; F59-F63 AromaticContact CE2-CE2 3.75Å; F59-F63 HydrophobicContact CE2-CE2 3.75Å; F59-F63 AromaticContact CZ-CD2 3.42Å; F59-F63 HydrophobicContact CZ-CD2 3.42Å; F59-F63 VanDerWaalsContact CZ-CD2 3.42Å; F59-F63 AromaticContact CZ-CE2 3.3Å; F59-F63 HydrophobicContact CZ-CE2 3.3Å; F59-F63 HydrophobicContact CZ-CZ 4.32Å; F59-F63 WeakPolarHBondContact O-CB 3.48Å; F59-F63 PolarHBondContact O-N 3.46Å; I60-F63 PolarHBondContact O-N 2.97Å; F63-K65 VanDerWaalsContact C-N 3.33Å; F63-K65 PolarHBondContact O-N 2.87Å; F63-R66 PolarHBondContact O-N 3.13Å; F63-R66 VanDerWaalsContact O-N 3.08Å; F63-S67 PolarHBondContact O-N 2.99Å; F63-S67 PolarHBondContact O-OG 2.99Å
64K74.9Confident65.7Low148 Ų148118.8 Ų118.864%0.64361%0.605SS**Hα-helixtrans-60.7-43.4177.7-161.4172.1179.2174.80111.4I60 Y61 R66 S67 D68I60-K64 WeakPolarHBondContact O-CB 3.37Å; I60-K64 PolarHBondContact O-N 3.37Å; Y61-K64 PolarHBondContact O-N 3.17Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.95Å; K64-S67 PolarHBondContact O-N 3.21Å; K64-D68 PolarHBondContact O-N 3.37Å
65K70Confident63.1Low124 Ų124120.5 Ų120.554%0.53962%0.618SS.*Hα-helixtrans-65.4-28.4175.6-168.1168.2-173.7170.60113.4Y61 V62 F63 V69Y61-K65 HydrophobicContact CE1-CD 4.32Å; Y61-K65 WeakPolarHBondContact O-CB 3.43Å; Y61-K65 PolarHBondContact O-N 3.05Å; V62-K65 PolarHBondContact O-N 3.19Å; F63-K65 VanDerWaalsContact C-N 3.33Å; F63-K65 PolarHBondContact O-N 2.87Å; K65-V69 WeakPolarHBondContact O-CG2 3.45Å
66R53.2Low60.5Low182 Ų182122 Ų12269%0.68763%0.63SS**Hα-helixtrans-80.1-32.2178.6-158.1175-171172.51.6112.2V62 F63 K64 D68 V69 C70V62-R66 WeakPolarHBondContact O-CB 3.48Å; V62-R66 PolarHBondContact O-N 3.1Å; F63-R66 PolarHBondContact O-N 3.13Å; F63-R66 VanDerWaalsContact O-N 3.08Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.95Å; R66-D68 VanDerWaalsContact C-N 3.31Å; R66-V69 PolarHBondContact O-N 3.35Å; R66-C70 PolarHBondContact O-N 3.26Å
67S55.1Low57.8Low73 Ų73124.7 Ų124.751%0.5165%0.646SS.*Hα-helixtrans-61.7-40.7171.7-51.30000111.6F63 K64 V69 C70F63-S67 PolarHBondContact O-N 2.99Å; F63-S67 PolarHBondContact O-OG 2.99Å; K64-S67 PolarHBondContact O-N 3.21Å; S67-V69 VanDerWaalsContact C-N 3.32Å; S67-V69 PolarHBondContact O-N 2.9Å; S67-C70 PolarHBondContact O-N 3.49Å
68D55.9Low54.9Low106 Ų106122.6 Ų122.657%0.56765%0.648SS**Hα-helixtrans-67.8-31.8-179.6-63.4-20.2000112.2K64 R66 A71K64-D68 PolarHBondContact O-N 3.37Å; R66-D68 VanDerWaalsContact C-N 3.31Å; D68-A71 PolarHBondContact O-N 3.27Å
69V52.8Low52.1Low108 Ų108123.3 Ų123.366%0.65566%0.658SS**Hα-helixtrans-75.9-25.2-179.2174.50000113K65 R66 S67K65-V69 WeakPolarHBondContact O-CG2 3.45Å; R66-V69 PolarHBondContact O-N 3.35Å; S67-V69 VanDerWaalsContact C-N 3.32Å; S67-V69 PolarHBondContact O-N 2.9Å
70C40.7Very low49.2Very low108 Ų108122.6 Ų122.673%0.7367%0.668SS**Hα-helixtrans-83.2-12.1177-950000113.8R66 S67R66-C70 PolarHBondContact O-N 3.26Å; S67-C70 PolarHBondContact O-N 3.49Å
71A44.5Very low46.5Very low85 Ų85123.8 Ų123.870%0.70268%0.68SS**SBendtrans-80.6-15.4-177.800000113.7D68D68-A71 PolarHBondContact O-N 3.27Å
72E38.4Very low43.7Very low181 Ų181125.3 Ų125.385%0.84669%0.69SS**SBendtrans-106.914.4-165.8-152.3127.1-147.800115
73S35.7Very low41.1Very low98 Ų98130.4 Ų130.469%0.68571%0.705SS**  trans-126.265.9177.553.60000112.6
74K29.3Very low38.8Very low203 Ų203134.4 Ų134.488%0.88372%0.723SS**  trans-139.894.3162.6-75.2-171.4178.8176.10110.3
75S31.4Very low36.4Very low99 Ų99131.4 Ų131.469%0.69272%0.72SS**  trans-164.4112153.237.40000106.2
76D28.8Very low34.1Very low157 Ų157133.1 Ų133.184%0.8473%0.73SS**  74.3132.2108.8-54.9-31.6000110.5
77D29.8Very low33Very low148 Ų148131.6 Ų131.679%0.79173%0.73SS**  cis-163.8160.330.1-159.2-10.2000110.3
78S26.2Very low31.5Very low97 Ų97132.9 Ų132.968%0.67874%0.74SS**  trans-66.1146.8177.960.70000116.1
79S26.7Very low29.9Very low107 Ų107136.5 Ų136.575%0.74876%0.756SS**  trans172.4112.3147.4440000108.2
80S23.6Very low28.9Very low111 Ų111137.2 Ų137.278%0.77676%0.76SS**  103.1137.363.9750000112.6
81V26.7Very low28.2Very low122 Ų122139.4 Ų139.474%0.73976%0.764SS**  trans10093155.3-1660000120.1
82K22.1Very low27.6Very low185 Ų185145.1 Ų145.180%0.80477%0.774SS**  47.4125.3121.2-57.4178.8174172.30121.8
83K26.2Very low27.4Very low185 Ų185143.2 Ų143.280%0.80477%0.769SS**  159.2124.9105.3-98.5172.7-178.31760110
84K22.2Very low27.2Very low196 Ų196143.2 Ų143.285%0.85277%0.77SS**  61.3131.2111.7-106.9-173.5172.4-175.40113.4
85S24.4Very low27.4Very low84 Ų84142.7 Ų142.759%0.58777%0.768SS**  cis177.3158.732.332.90000109.7
86Q23.6Very low27.5Very low160 Ų160142 Ų14275%0.74877%0.768SS**  trans67.3139.3155.3-77.7164.7-87.900116.3
87E28.6Very low27.8Very low150 Ų150138.7 Ų138.770%0.70176%0.757SS**  cis-165.9132.626.9-115.9150.7-150.900107.1
88S23.8Very low28Very low101 Ų101137.4 Ų137.471%0.70676%0.755SS**  99.6119.1103.174.60000115.2
89M22.2Very low28.8Very low182 Ų182138.3 Ų138.390%0.89776%0.761SS**  trans52.7126.5146.4-73.2178164.300118.3
90T31.9Very low29.6Very low123 Ų123138.7 Ų138.776%0.75576%0.759SS**  -155.913554.243.20000112.3F92T90-F92 PolarHBondContact O-N 3.5Å
91D26.6Very low31.1Very low153 Ų153142.2 Ų142.282%0.81876%0.763SS**  trans-60.1120.5169-76-43.1000111.5
92F32.1Very low32.7Very low206 Ų206140.9 Ų140.990%0.90477%0.765SS**  trans-119.694.6155.6-119-90.6000107T90 S94T90-F92 PolarHBondContact O-N 3.5Å; F92-S94 PolarHBondContact O-N 3.03Å; F92-S94 VanDerWaalsContact O-N 3.08Å
93N33.6Very low35.3Very low140 Ų140140.5 Ų140.575%0.74977%0.766SS**  trans-62.9108.2178.8-95.4-22.1000110.9F95N93-F95 PolarHBondContact O-N 3.29Å
94S31.3Very low38Very low99 Ų99134.2 Ų134.269%0.69274%0.738SS**  trans27.485.7135.267.10000117.5F92F92-S94 PolarHBondContact O-N 3.03Å; F92-S94 VanDerWaalsContact O-N 3.08Å
95F32.9Very low41Very low192 Ų192129.6 Ų129.684%0.84273%0.727SS**  trans-9183143.2-169.8-95.8000107.4N93N93-F95 PolarHBondContact O-N 3.29Å
96A33.9Very low44.1Very low85 Ų85125.6 Ų125.670%0.70270%0.699SS**  trans-91.8104.9170.300000108
97S34.8Very low47.3Very low86 Ų86123.1 Ų123.160%0.60168%0.683SS**SBendtrans176.1133.7136.947.60000112.2
98V35.1Very low50.4Low122 Ų122116.1 Ų116.174%0.73965%0.65SS**  trans7073.4168-1560000115.4T100V98-T100 PolarHBondContact O-N 3.01Å
99S42.5Very low53.7Low116 Ų116112.6 Ų112.681%0.81162%0.623SS**  trans-69.183.9149.255.10000107.7E101S99-E101 PolarHBondContact O-N 2.77Å
100T43.7Very low57Low115 Ų115110.6 Ų110.671%0.70661%0.61SS**  trans-56.5111.4152.9-27.80000104V98 A102V98-T100 PolarHBondContact O-N 3.01Å; T100-A102 PolarHBondContact O-N 3.5Å
101E55Low60.1Low184 Ų184106.9 Ų106.986%0.8659%0.585SS**  trans-55.399.8170.1-78.5177.4167.500105.9S99 E103S99-E101 PolarHBondContact O-N 2.77Å; E101-E103 PolarHBondContact O-N 3.02Å
102A60.5Low63.4Low94 Ų9499.9 Ų99.978%0.77755%0.547SS*.  trans-65.8107.8-179.500000106.1T100 F104T100-A102 PolarHBondContact O-N 3.5Å; A102-F104 PolarHBondContact O-N 3.23Å; A102-F104 VanDerWaalsContact O-N 3.14Å
103E76.5Confident66.4Low177 Ų17792.9 Ų92.983%0.82752%0.521SS*.  trans-55.2120.1177.2-163.6169.7-164.100108.2E101 T105E101-E103 PolarHBondContact O-N 3.02Å; E103-T105 PolarHBondContact O-N 3.32Å; E103-T105 VanDerWaalsContact O-N 3.13Å; E103-T105 PolarHBondContact O-OG1 3.42Å
104F82.5Confident69.2Low53 Ų5387.7 Ų87.723%0.23250%0.495CS..  trans-57.5121.7-175.2168-93.5000109.7A102 E179 E180 P181 P182 W185A102-F104 PolarHBondContact O-N 3.23Å; A102-F104 VanDerWaalsContact O-N 3.14Å; F104-E179 HydrophobicContact CZ-CB 4.46Å; F104-E180 WeakPolarHBondContact CE2-O 3.37Å; F104-P181 HydrophobicContact CD1-CB 4.39Å; F104-P181 HydrophobicContact CE1-CB 3.77Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CZ-CB 3.81Å; F104-P182 VanDerWaalsContact CB-CD 3.5Å; F104-P182 HydrophobicContact CB-CG 3.78Å; F104-P182 HydrophobicContact CG-CG 4.19Å; F104-W185 AromaticContact CD1-CD1 3.64Å; F104-W185 HydrophobicContact CD1-CD2 4.01Å; F104-W185 AromaticContact CD1-CE2 3.74Å; F104-W185 AromaticContact CD1-CG 3.95Å; F104-W185 HydrophobicContact CD1-CG 3.95Å; F104-W185 HydrophobicContact CD1-CZ2 4.37Å; F104-W185 AromaticContact CD1-NE1 3.51Å; F104-W185 AromaticContact CE1-CD2 3.8Å; F104-W185 HydrophobicContact CE1-CD2 3.8Å; F104-W185 AromaticContact CE1-CE2 3.61Å; F104-W185 HydrophobicContact CE1-CE3 4.25Å; F104-W185 HydrophobicContact CE1-CG 4.19Å; F104-W185 HydrophobicContact CE1-CH2 4.32Å; F104-W185 AromaticContact CE1-CZ2 3.9Å; F104-W185 HydrophobicContact CE1-CZ2 3.9Å; F104-W185 HydrophobicContact CE1-CZ3 4.49Å; F104-W185 AromaticContact CE1-NE1 3.89Å
105T84.9Confident72.1Confident99 Ų9986.1 Ų86.161%0.60748%0.481SS*.  trans-113115.9175.8-56.30000108.9E103 R107 K110E103-T105 PolarHBondContact O-N 3.32Å; E103-T105 VanDerWaalsContact O-N 3.13Å; E103-T105 PolarHBondContact O-OG1 3.42Å; T105-R107 PolarHBondContact O-N 3.42Å; T105-K110 HydrophobicContact CG2-CB 4.47Å
106S89.5Confident74.9Confident1 Ų180.3 Ų80.31%0.00745%0.454CS..  trans-64.2124.8176170.30000110.4Y108 L109 K110 E179S106-Y108 VanDerWaalsContact C-N 3.29Å; S106-Y108 PolarHBondContact O-N 2.64Å; S106-Y108 PolarHBondContact OG-N 2.8Å; S106-L109 PolarHBondContact O-N 3.38Å; S106-L109 PolarHBondContact OG-N 3.4Å; S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.29Å; S106-K110 PolarHBondContact O-N 2.79Å; S106-E179 WeakPolarHBondContact CB-OE2 3.35Å; S106-E179 PolarHBondContact OG-OE1 2.94Å; S106-E179 PolarHBondContact OG-OE2 3.43Å
107R91.6Very high77.5Confident108 Ų10878.2 Ų78.241%0.40843%0.434SS..Hα-helixtrans-62.8-39.8175.2179.4-178.6177.8-173.50.3110.9T105 K110 D111 E179T105-R107 PolarHBondContact O-N 3.42Å; R107-K110 WeakPolarHBondContact O-CB 3.41Å; R107-K110 PolarHBondContact O-N 3.45Å; R107-D111 WeakPolarHBondContact CG-OD2 3.44Å; R107-D111 IonicContact NE-OD2 2.96Å; R107-D111 PolarHBondContact NE-OD2 3.45Å; R107-D111 WeakPolarHBondContact O-CB 3.37Å; R107-D111 PolarHBondContact O-N 3.47Å; R107-E179 PolarHBondContact N-OE1 3.28Å; R107-E179 VanDerWaalsContact N-OE1 3.16Å
108Y94Very high80.1Confident2 Ų276.6 Ų76.61%0.00842%0.418CS..Hα-helixtrans-57-52.4176.1172.5-117.5000110.8S106 K110 D111 F112 P114 V127 S129 I140 W177 E179 F194 F325S106-Y108 VanDerWaalsContact C-N 3.29Å; S106-Y108 PolarHBondContact O-N 2.64Å; S106-Y108 PolarHBondContact OG-N 2.8Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 2.9Å; Y108-D111 PolarHBondContact O-N 3.27Å; Y108-F112 HydrophobicContact CD2-CB 3.92Å; Y108-F112 AromaticContact CD2-CD2 3.94Å; Y108-F112 HydrophobicContact CD2-CD2 3.94Å; Y108-F112 HydrophobicContact CD2-CG 4.13Å; Y108-F112 HydrophobicContact CE2-CB 3.76Å; Y108-F112 HydrophobicContact CE2-CD2 4.44Å; Y108-F112 HydrophobicContact CE2-CG 4.18Å; Y108-F112 WeakPolarHBondContact O-CA 3.44Å; Y108-F112 VanDerWaalsContact O-CB 3.29Å; Y108-F112 WeakPolarHBondContact O-CB 3.4Å; Y108-F112 PolarHBondContact O-N 3.27Å; Y108-P114 HydrophobicContact CE1-CB 4.49Å; Y108-P114 WeakPolarHBondContact OH-CB 3.5Å; Y108-V127 WeakPolarHBondContact OH-CG1 3.5Å; Y108-S129 PolarHBondContact OH-OG 3.37Å; Y108-I140 HydrophobicContact CD2-CG2 3.93Å; Y108-I140 HydrophobicContact CE2-CB 3.94Å; Y108-I140 HydrophobicContact CE2-CG1 3.88Å; Y108-I140 HydrophobicContact CE2-CG2 3.7Å; Y108-W177 HydrophobicContact CD2-CZ2 4.18Å; Y108-E179 WeakPolarHBondContact CB-OE1 3.43Å; Y108-E179 PolarHBondContact N-OE1 3.23Å; Y108-F194 AromaticContact CD1-CE1 3.9Å; Y108-F194 HydrophobicContact CD1-CE1 3.9Å; Y108-F194 AromaticContact CD1-CZ 3.51Å; Y108-F194 HydrophobicContact CD1-CZ 3.51Å; Y108-F194 AromaticContact CE1-CE1 3.7Å; Y108-F194 HydrophobicContact CE1-CE1 3.7Å; Y108-F194 AromaticContact CE1-CZ 3.74Å; Y108-F194 HydrophobicContact CE1-CZ 3.74Å; Y108-F325 AromaticContact CD1-CE1 3.83Å; Y108-F325 HydrophobicContact CD1-CE1 3.83Å; Y108-F325 HydrophobicContact CD2-CD1 4.25Å; Y108-F325 HydrophobicContact CD2-CE1 4.24Å; Y108-F325 HydrophobicContact CE1-CE1 4.46Å; Y108-F325 HydrophobicContact CG-CD1 4.05Å; Y108-F325 AromaticContact CG-CE1 3.65Å; Y108-F325 HydrophobicContact CG-CE1 3.65Å; Y108-F325 HydrophobicContact CG-CZ 4.45Å
109L92.3Very high82.3Confident28 Ų2872.2 Ų72.215%0.14740%0.398CS..Hα-helixtrans-73.3-22.5180-62.4-179.8000113S106 P114 K132 W185 E190 F194S106-L109 PolarHBondContact O-N 3.38Å; S106-L109 PolarHBondContact OG-N 3.4Å; L109-P114 HydrophobicContact CD2-CG 4.27Å; L109-K132 WeakPolarHBondContact O-CE 3.38Å; L109-K132 PolarHBondContact O-NZ 3.2Å; L109-W185 HydrophobicContact CD1-CH2 3.79Å; L109-W185 HydrophobicContact CD1-CZ2 3.98Å; L109-E190 HydrophobicContact CD1-CB 3.83Å; L109-E190 WeakPolarHBondContact CD1-O 3.49Å; L109-F194 HydrophobicContact CD1-CE2 4.46Å
110K92.7Very high84Confident140 Ų14070.3 Ų70.361%0.60938%0.383SS*.Hα-helixtrans-68-49.3171.4-174.4-178.8179.1179.20111.3T105 S106 R107 Y108 K132T105-K110 HydrophobicContact CG2-CB 4.47Å; S106-K110 VanDerWaalsContact O-CB 3.28Å; S106-K110 WeakPolarHBondContact O-CB 3.29Å; S106-K110 PolarHBondContact O-N 2.79Å; R107-K110 WeakPolarHBondContact O-CB 3.41Å; R107-K110 PolarHBondContact O-N 3.45Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 2.9Å; K110-K132 VanDerWaalsContact O-CD 3.29Å; K110-K132 WeakPolarHBondContact O-CD 3.27Å; K110-K132 VanDerWaalsContact O-CE 3.32Å; K110-K132 WeakPolarHBondContact O-CE 3.36Å; K110-K132 PolarHBondContact O-NZ 2.97Å
111D95.6Very high85.1Confident45 Ų4567.3 Ų67.324%0.24138%0.376CS..Hα-helixtrans-94.3-20.7-169.8-62.8-14000113.1R107 Y108 K132R107-D111 WeakPolarHBondContact CG-OD2 3.44Å; R107-D111 IonicContact NE-OD2 2.96Å; R107-D111 PolarHBondContact NE-OD2 3.45Å; R107-D111 WeakPolarHBondContact O-CB 3.37Å; R107-D111 PolarHBondContact O-N 3.47Å; Y108-D111 PolarHBondContact O-N 3.27Å; D111-K132 WeakPolarHBondContact O-CG 3.34Å; D111-K132 PolarHBondContact O-N 3.19Å
112F96.4Very high85.5Confident6 Ų661 Ų613%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-127.8151.6-174.5-61.3-94.8000113.1Y108 I130 N131 K132 Y138 I140 W177 Q327Y108-F112 HydrophobicContact CD2-CB 3.92Å; Y108-F112 AromaticContact CD2-CD2 3.94Å; Y108-F112 HydrophobicContact CD2-CD2 3.94Å; Y108-F112 HydrophobicContact CD2-CG 4.13Å; Y108-F112 HydrophobicContact CE2-CB 3.76Å; Y108-F112 HydrophobicContact CE2-CD2 4.44Å; Y108-F112 HydrophobicContact CE2-CG 4.18Å; Y108-F112 WeakPolarHBondContact O-CA 3.44Å; Y108-F112 VanDerWaalsContact O-CB 3.29Å; Y108-F112 WeakPolarHBondContact O-CB 3.4Å; Y108-F112 PolarHBondContact O-N 3.27Å; F112-I130 CarbonylContact C-O 3.54Å; F112-I130 VanDerWaalsContact CA-O 3.24Å; F112-I130 WeakPolarHBondContact CA-O 3.28Å; F112-N131 HydrophobicContact CD1-CB 3.87Å; F112-N131 HydrophobicContact CE1-CB 3.67Å; F112-N131 HydrophobicContact CZ-CB 4.48Å; F112-K132 WeakPolarHBondContact O-CE 3.28Å; F112-Y138 AromaticContact CE1-CD2 3.99Å; F112-Y138 HydrophobicContact CE1-CD2 3.99Å; F112-I140 HydrophobicContact CD1-CD1 4.36Å; F112-I140 HydrophobicContact CD1-CG1 4.47Å; F112-I140 HydrophobicContact CE1-CD1 3.99Å; F112-I140 HydrophobicContact CZ-CD1 4.23Å; F112-W177 HydrophobicContact CD2-CH2 4.29Å; F112-W177 AromaticContact CE2-CH2 3.65Å; F112-W177 HydrophobicContact CE2-CH2 3.65Å; F112-W177 HydrophobicContact CE2-CZ2 4.23Å; F112-W177 HydrophobicContact CE2-CZ3 4.36Å; F112-W177 HydrophobicContact CZ-CH2 4.25Å; F112-Q327 HydrophobicContact CZ-CG 4.45Å
113V94.6Very high85.9Confident59 Ų5961.4 Ų61.436%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-105.6113.2166.7-178.20000108.2S129 I130 K132V113-S129 CarbonylContact O-C 3.55Å; V113-S129 VanDerWaalsContact O-CA 3.29Å; V113-S129 WeakPolarHBondContact O-CA 3.39Å; V113-I130 PolarHBondContact N-O 3.49Å; V113-I130 PolarHBondContact O-N 3.44Å; V113-K132 HydrophobicContact CG2-CD 4.26Å; V113-K132 HydrophobicContact CG2-CG 3.85Å
114P93.7Very high86Confident30 Ų3053.6 Ų53.620%0.19531%0.31CS..EExtended strand (participates in β ladder)trans-66.4132.5173.626.7-32.5000110.1Y108 L109 V127 V193Y108-P114 HydrophobicContact CE1-CB 4.49Å; Y108-P114 WeakPolarHBondContact OH-CB 3.5Å; L109-P114 HydrophobicContact CD2-CG 4.27Å; P114-V127 HydrophobicContact CB-CG1 3.96Å; P114-V193 HydrophobicContact CB-CB 4.43Å; P114-V193 HydrophobicContact CB-CG1 3.43Å; P114-V193 VanDerWaalsContact CB-CG1 3.43Å; P114-V193 HydrophobicContact CB-CG2 4.16Å; P114-V193 HydrophobicContact CG-CB 3.96Å; P114-V193 HydrophobicContact CG-CG1 3.43Å; P114-V193 VanDerWaalsContact CG-CG1 3.43Å; P114-V193 HydrophobicContact CG-CG2 3.34Å
115V91.9Very high86.2Confident67 Ų6752.6 Ų52.641%0.40631%0.309SS..EExtended strand (participates in β ladder)trans-102.1-60.3-179.9-177.20000110.2E128 I130V115-E128 WeakPolarHBondContact CA-O 3.37Å; V115-E128 HydrophobicContact CB-CB 4.28Å; V115-E128 HydrophobicContact CB-CG 4.16Å; V115-E128 VanDerWaalsContact CB-O 3.3Å; V115-E128 WeakPolarHBondContact CB-O 3.49Å; V115-E128 HydrophobicContact CG2-CG 4.38Å; V115-E128 PolarHBondContact N-O 2.98Å; V115-I130 HydrophobicContact CG2-CD1 3.72Å; V115-I130 HydrophobicContact CG2-CG1 3.79Å
116R90.9Very high86.5Confident70 Ų7049.4 Ų49.426%0.26429%0.289SS..EExtended strand (participates in β ladder)trans-159.4157.8-177.663.6-179.4178.1111.33.1112.6L118 V127 E128 E333R116-L118 PolarHBondContact O-N 2.96Å; R116-V127 CarbonylContact O-C 3.6Å; R116-V127 WeakPolarHBondContact O-CA 3.26Å; R116-V127 WeakPolarHBondContact O-CG1 3.44Å; R116-E128 HydrophobicContact CG-CB 4.02Å; R116-E128 IonicContact CZ-OE2 2.67Å; R116-E128 PolarHBondContact N-O 2.92Å; R116-E128 IonicContact NE-OE2 3.95Å; R116-E128 PolarHBondContact NE-OE2 3.46Å; R116-E128 IonicContact NH2-OE2 3.18Å; R116-E128 PolarHBondContact NH2-OE2 3.07Å; R116-E128 PolarHBondContact O-N 3.38Å; R116-E333 IonicContact CZ-OE1 3.71Å; R116-E333 IonicContact CZ-OE2 2.92Å; R116-E333 IonicContact NE-OE1 2.73Å; R116-E333 IonicContact NH1-OE1 3.46Å; R116-E333 PolarHBondContact NH1-OE1 3.39Å; R116-E333 IonicContact NH1-OE2 3.58Å; R116-E333 PolarHBondContact NH1-OE2 3.14Å; R116-E333 VanDerWaalsContact NH2-CG 3.3Å; R116-E333 IonicContact NH2-OE1 2.77Å; R116-E333 PolarHBondContact NH2-OE1 3.39Å; R116-E333 IonicContact NH2-OE2 3.33Å
117C89.6Confident86.7Confident41 Ų4149.8 Ų49.828%0.27729%0.291SS..EExtended strand (participates in β ladder)trans-70.6122.4172.6-148.70000109.6C197C117-C197 HydrophobicContact CB-CB 4.38Å; C117-C197 WeakPolarHBondContact CB-SG 3.39Å; C117-C197 WeakPolarHBondContact SG-CB 3.33Å; C117-C197 CovalentContact SG-SG 2.06Å; C117-C197 PolarHBondContact SG-SG 3.42Å
118L88Confident86.9Confident51 Ų5145 Ų4527%0.26727%0.274SS..EExtended strand (participates in β ladder)trans-90.2-30.3172.6-64.8177.5000111.6R116 V126 E128 A139 L330R116-L118 PolarHBondContact O-N 2.96Å; L118-V126 HydrophobicContact CB-CB 4.31Å; L118-V126 HydrophobicContact CB-CG1 4.15Å; L118-V126 HydrophobicContact CD1-CG1 4.14Å; L118-V126 PolarHBondContact N-O 3.45Å; L118-E128 HydrophobicContact CD1-CB 4.01Å; L118-E128 HydrophobicContact CD2-CB 4.04Å; L118-E128 HydrophobicContact CG-CB 3.99Å; L118-A139 HydrophobicContact CD1-CB 4.04Å; L118-L330 HydrophobicContact CD1-CD1 3.61Å
119G81.9Confident87Confident31 Ų3144.9 Ų44.932%0.3227%0.273SS..EExtended strand (participates in β ladder)trans-172.9151.5177.600000112.2V126G119-V126 PolarHBondContact N-O 3.27Å; G119-V126 PolarHBondContact O-N 3.3Å
120C78.1Confident87.2Confident75 Ų7546.1 Ų46.151%0.50728%0.279SS..EExtended strand (participates in β ladder)trans-134.2138.6173.4550000109.6
121G66.3Low87.4Confident53 Ų5340.3 Ų40.355%0.54626%0.255SS..EExtended strand (participates in β ladder)trans-169.2-171.4-18000000112.7F123 G124G121-F123 PolarHBondContact O-N 3.29Å; G121-F123 VanDerWaalsContact O-N 3.11Å; G121-G124 PolarHBondContact N-O 3.47Å; G121-G124 PolarHBondContact O-N 3.23Å
122G64.2Low87.5Confident50 Ų5043.2 Ų43.252%0.51527%0.265SS..THydrogen-bonded Turntrans-58.6-24.3179.500000113.9G124G122-G124 VanDerWaalsContact C-N 3.3Å; G122-G124 PolarHBondContact O-N 2.96Å
123F69Low87.5Confident104 Ų10449.1 Ų49.146%0.45630%0.302SS..THydrogen-bonded Turntrans-89.212177.2-55.2-79.2000113.9G121 K141 I143G121-F123 PolarHBondContact O-N 3.29Å; G121-F123 VanDerWaalsContact O-N 3.11Å; F123-K141 WeakPolarHBondContact O-CE 3.4Å; F123-I143 WeakPolarHBondContact O-CG1 3.4Å
124G78.8Confident87.6Confident12 Ų1249.4 Ų49.412%0.12430%0.301CS..EExtended strand (participates in β ladder)trans103.3-152.6177.400000114.2G121 G122 R142G121-G124 PolarHBondContact N-O 3.47Å; G121-G124 PolarHBondContact O-N 3.23Å; G122-G124 VanDerWaalsContact C-N 3.3Å; G122-G124 PolarHBondContact O-N 2.96Å; G124-R142 CarbonylContact C-O 3.53Å; G124-R142 VanDerWaalsContact CA-O 3.29Å; G124-R142 WeakPolarHBondContact CA-O 3.29Å
125T86.8Confident87.7Confident32 Ų3255.4 Ų55.420%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-123.9131.7-173.3-54.30000110.3V127 K141 R142 C197T125-V127 HydrophobicContact CG2-CG2 3.92Å; T125-K141 CarbonylContact O-C 3.54Å; T125-K141 WeakPolarHBondContact O-CA 3.34Å; T125-R142 PolarHBondContact N-O 2.93Å; T125-R142 PolarHBondContact O-N 3.38Å; T125-C197 HydrophobicContact CG2-CB 3.91Å; T125-C197 WeakPolarHBondContact CG2-SG 3.29Å
126V91Very high88Confident32 Ų3257.6 Ų57.619%0.19433%0.332CS..EExtended strand (participates in β ladder)trans-107128.1174.8-170.80000108.8L118 G119 A139 I140 K141L118-V126 HydrophobicContact CB-CB 4.31Å; L118-V126 HydrophobicContact CB-CG1 4.15Å; L118-V126 HydrophobicContact CD1-CG1 4.14Å; L118-V126 PolarHBondContact N-O 3.45Å; G119-V126 PolarHBondContact N-O 3.27Å; G119-V126 PolarHBondContact O-N 3.3Å; V126-A139 HydrophobicContact CG1-CB 4.06Å; V126-I140 WeakPolarHBondContact CA-O 3.32Å; V126-K141 HydrophobicContact CG2-CB 4.11Å; V126-K141 HydrophobicContact CG2-CD 4.28Å; V126-K141 HydrophobicContact CG2-CG 3.92Å
127V93.2Very high88.3Confident9 Ų959.4 Ų59.46%0.05534%0.342CS..EExtended strand (participates in β ladder)trans-126.5128.5-176.1-176.10000109.5Y108 P114 R116 T125 S129 I140Y108-V127 WeakPolarHBondContact OH-CG1 3.5Å; P114-V127 HydrophobicContact CB-CG1 3.96Å; R116-V127 CarbonylContact O-C 3.6Å; R116-V127 WeakPolarHBondContact O-CA 3.26Å; R116-V127 WeakPolarHBondContact O-CG1 3.44Å; T125-V127 HydrophobicContact CG2-CG2 3.92Å; V127-S129 PolarHBondContact O-N 3.13Å; V127-S129 PolarHBondContact O-OG 3.42Å; V127-I140 PolarHBondContact N-O 2.76Å; V127-I140 PolarHBondContact O-N 2.95Å
128E95.4Very high88.6Confident8 Ų858.6 Ų58.64%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-65123.2165.3-179.8-178.4161.600107.6V115 R116 L118 K137 Y138 L330V115-E128 WeakPolarHBondContact CA-O 3.37Å; V115-E128 HydrophobicContact CB-CB 4.28Å; V115-E128 HydrophobicContact CB-CG 4.16Å; V115-E128 VanDerWaalsContact CB-O 3.3Å; V115-E128 WeakPolarHBondContact CB-O 3.49Å; V115-E128 HydrophobicContact CG2-CG 4.38Å; V115-E128 PolarHBondContact N-O 2.98Å; R116-E128 HydrophobicContact CG-CB 4.02Å; R116-E128 IonicContact CZ-OE2 2.67Å; R116-E128 PolarHBondContact N-O 2.92Å; R116-E128 IonicContact NE-OE2 3.95Å; R116-E128 PolarHBondContact NE-OE2 3.46Å; R116-E128 IonicContact NH2-OE2 3.18Å; R116-E128 PolarHBondContact NH2-OE2 3.07Å; R116-E128 PolarHBondContact O-N 3.38Å; L118-E128 HydrophobicContact CD1-CB 4.01Å; L118-E128 HydrophobicContact CD2-CB 4.04Å; L118-E128 HydrophobicContact CG-CB 3.99Å; E128-K137 VanDerWaalsContact OE1-CD 3.31Å; E128-K137 WeakPolarHBondContact OE1-CD 3.32Å; E128-K137 VanDerWaalsContact OE1-CE 3.32Å; E128-K137 WeakPolarHBondContact OE1-CE 3.4Å; E128-K137 IonicContact OE1-NZ 3.52Å; E128-K137 PolarHBondContact OE1-NZ 3.32Å; E128-Y138 WeakPolarHBondContact CA-O 3.21Å; E128-L330 HydrophobicContact CG-CD1 4.28Å; E128-L330 HydrophobicContact CG-CD2 4.06Å
129S96.1Very high89Confident0 Ų056.5 Ų56.50%032%0.324CS..EExtended strand (participates in β ladder)trans-134.9143.5-176.6-46.90000110.4Y108 V113 V127 K137 Y138 I140Y108-S129 PolarHBondContact OH-OG 3.37Å; V113-S129 CarbonylContact O-C 3.55Å; V113-S129 VanDerWaalsContact O-CA 3.29Å; V113-S129 WeakPolarHBondContact O-CA 3.39Å; V127-S129 PolarHBondContact O-N 3.13Å; V127-S129 PolarHBondContact O-OG 3.42Å; S129-K137 WeakPolarHBondContact O-CA 3.48Å; S129-Y138 PolarHBondContact N-O 3.45Å; S129-Y138 PolarHBondContact O-N 3.31Å; S129-I140 WeakPolarHBondContact OG-CG1 3.29Å
130I97.4Very high89.6Confident53 Ų5355 Ų5527%0.27231%0.309SS..EExtended strand (participates in β ladder)trans-98.9127.4173.9-63.4163.6000107.9F112 V113 V115 Q136 K137F112-I130 CarbonylContact C-O 3.54Å; F112-I130 VanDerWaalsContact CA-O 3.24Å; F112-I130 WeakPolarHBondContact CA-O 3.28Å; V113-I130 PolarHBondContact N-O 3.49Å; V113-I130 PolarHBondContact O-N 3.44Å; V115-I130 HydrophobicContact CG2-CD1 3.72Å; V115-I130 HydrophobicContact CG2-CG1 3.79Å; I130-Q136 WeakPolarHBondContact CA-O 3.36Å; I130-K137 HydrophobicContact CG1-CG 3.88Å
131N97.5Very high90.3Very high18 Ų1852.7 Ų52.710%0.09629%0.29CS..EExtended strand (participates in β ladder)trans-73.7134171.4178.5-67.3000109.6F112 V133 D134 E135 Q136 Y138F112-N131 HydrophobicContact CD1-CB 3.87Å; F112-N131 HydrophobicContact CE1-CB 3.67Å; F112-N131 HydrophobicContact CZ-CB 4.48Å; N131-V133 VanDerWaalsContact C-N 3.3Å; N131-V133 PolarHBondContact O-N 3.4Å; N131-V133 WeakPolarHBondContact OD1-CA 3.44Å; N131-V133 WeakPolarHBondContact OD1-CB 3.42Å; N131-V133 PolarHBondContact OD1-N 3.19Å; N131-D134 VanDerWaalsContact CB-OD1 3.23Å; N131-D134 WeakPolarHBondContact CB-OD1 3.41Å; N131-D134 PolarHBondContact OD1-N 2.95Å; N131-D134 VanDerWaalsContact OD1-N 3.07Å; N131-E135 WeakPolarHBondContact O-CA 3.37Å; N131-E135 PolarHBondContact O-N 2.91Å; N131-Q136 PolarHBondContact N-O 3.29Å; N131-Y138 HydrophobicContact CB-CD2 4.05Å; N131-Y138 HydrophobicContact CB-CE2 3.76Å
132K96.9Very high91.5Very high106 Ų10651.3 Ų51.346%0.46127%0.268SS..THydrogen-bonded Turntrans-74.8-16.6-174.3-65.5-176.5-163.4168.30114.3L109 K110 D111 F112 V113L109-K132 WeakPolarHBondContact O-CE 3.38Å; L109-K132 PolarHBondContact O-NZ 3.2Å; K110-K132 VanDerWaalsContact O-CD 3.29Å; K110-K132 WeakPolarHBondContact O-CD 3.27Å; K110-K132 VanDerWaalsContact O-CE 3.32Å; K110-K132 WeakPolarHBondContact O-CE 3.36Å; K110-K132 PolarHBondContact O-NZ 2.97Å; D111-K132 WeakPolarHBondContact O-CG 3.34Å; D111-K132 PolarHBondContact O-N 3.19Å; F112-K132 WeakPolarHBondContact O-CE 3.28Å; V113-K132 HydrophobicContact CG2-CD 4.26Å; V113-K132 HydrophobicContact CG2-CG 3.85Å
133V96.3Very high92.6Very high130 Ų13050 Ų5079%0.78825%0.249SC*.THydrogen-bonded Turntrans-94.6-49.6-176.6-179.50000111N131N131-V133 VanDerWaalsContact C-N 3.3Å; N131-V133 PolarHBondContact O-N 3.4Å; N131-V133 WeakPolarHBondContact OD1-CA 3.44Å; N131-V133 WeakPolarHBondContact OD1-CB 3.42Å; N131-V133 PolarHBondContact OD1-N 3.19Å
134D97Very high93.4Very high65 Ų6547.2 Ų47.235%0.34824%0.242SC..THydrogen-bonded Turntrans-97.9-5-176.964.635.8000114N131 Q136 Y138N131-D134 VanDerWaalsContact CB-OD1 3.23Å; N131-D134 WeakPolarHBondContact CB-OD1 3.41Å; N131-D134 PolarHBondContact OD1-N 2.95Å; N131-D134 VanDerWaalsContact OD1-N 3.07Å; D134-Q136 HydrophobicContact CB-CG 4.34Å; D134-Q136 PolarHBondContact O-N 2.89Å; D134-Q136 PolarHBondContact O-NE2 3.16Å; D134-Q136 VanDerWaalsContact OD1-CB 3.26Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.43Å; D134-Q136 PolarHBondContact OD1-N 3.42Å; D134-Y138 PolarHBondContact OD2-OH 2.92Å
135E95.8Very high93.6Very high157 Ų15746.9 Ų46.973%0.73424%0.237SC*.  trans58.812.1-179.4-56.1-178.2177.800114.5N131N131-E135 WeakPolarHBondContact O-CA 3.37Å; N131-E135 PolarHBondContact O-N 2.91Å
136Q97Very high93.2Very high112 Ų11247.4 Ų47.452%0.52324%0.241SC..  trans-84.4153.4179.5-58.8-54.3-56.400111.8I130 N131 D134 Y138I130-Q136 WeakPolarHBondContact CA-O 3.36Å; N131-Q136 PolarHBondContact N-O 3.29Å; D134-Q136 HydrophobicContact CB-CG 4.34Å; D134-Q136 PolarHBondContact O-N 2.89Å; D134-Q136 PolarHBondContact O-NE2 3.16Å; D134-Q136 VanDerWaalsContact OD1-CB 3.26Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.43Å; D134-Q136 PolarHBondContact OD1-N 3.42Å; Q136-Y138 HydrophobicContact CB-CD2 4.49Å; Q136-Y138 HydrophobicContact CB-CE2 3.61Å; Q136-Y138 WeakPolarHBondContact O-CD2 3.24Å; Q136-Y138 WeakPolarHBondContact O-CE2 3.43Å
137K97.5Very high92.7Very high109 Ų10950.5 Ų50.547%0.47426%0.256SS..EExtended strand (participates in β ladder)trans-92.3136.1176.9-68.2178.2167.8-1500111.6E128 S129 I130 L330E128-K137 VanDerWaalsContact OE1-CD 3.31Å; E128-K137 WeakPolarHBondContact OE1-CD 3.32Å; E128-K137 VanDerWaalsContact OE1-CE 3.32Å; E128-K137 WeakPolarHBondContact OE1-CE 3.4Å; E128-K137 IonicContact OE1-NZ 3.52Å; E128-K137 PolarHBondContact OE1-NZ 3.32Å; S129-K137 WeakPolarHBondContact O-CA 3.48Å; I130-K137 HydrophobicContact CG1-CG 3.88Å; K137-L330 HydrophobicContact CB-CD2 3.72Å; K137-L330 HydrophobicContact CD-CD2 4.2Å
138Y97.5Very high92Very high23 Ų2358 Ų589%0.0928%0.284CS..EExtended strand (participates in β ladder)trans-134.2157-179.8-62-79.8000111.2F112 E128 S129 N131 D134 Q136 Y174 Q327F112-Y138 AromaticContact CE1-CD2 3.99Å; F112-Y138 HydrophobicContact CE1-CD2 3.99Å; E128-Y138 WeakPolarHBondContact CA-O 3.21Å; S129-Y138 PolarHBondContact N-O 3.45Å; S129-Y138 PolarHBondContact O-N 3.31Å; N131-Y138 HydrophobicContact CB-CD2 4.05Å; N131-Y138 HydrophobicContact CB-CE2 3.76Å; D134-Y138 PolarHBondContact OD2-OH 2.92Å; Q136-Y138 HydrophobicContact CB-CD2 4.49Å; Q136-Y138 HydrophobicContact CB-CE2 3.61Å; Q136-Y138 WeakPolarHBondContact O-CD2 3.24Å; Q136-Y138 WeakPolarHBondContact O-CE2 3.43Å; Y138-Y174 AromaticContact CD1-CD2 3.82Å; Y138-Y174 HydrophobicContact CD1-CD2 3.82Å; Y138-Y174 AromaticContact CD1-CE2 3.73Å; Y138-Y174 HydrophobicContact CD1-CE2 3.73Å; Y138-Y174 HydrophobicContact CE1-CD1 4.42Å; Y138-Y174 AromaticContact CE1-CD2 3.85Å; Y138-Y174 HydrophobicContact CE1-CD2 3.85Å; Y138-Y174 HydrophobicContact CE1-CE1 4.25Å; Y138-Y174 AromaticContact CE1-CE2 3.65Å; Y138-Y174 HydrophobicContact CE1-CE2 3.65Å; Y138-Y174 HydrophobicContact CE1-CG 4.23Å; Y138-Y174 AromaticContact CE1-CZ 3.87Å; Y138-Q327 HydrophobicContact CD1-CG 3.93Å; Y138-Q327 VanDerWaalsContact CE1-NE2 3.35Å; Y138-Q327 HydrophobicContact CG-CG 4.01Å
139A95.8Very high91.4Very high7 Ų763 Ų636%0.05831%0.307CS..EExtended strand (participates in β ladder)trans-93.9117.1164.100000108.6L118 V126 M328 L330L118-A139 HydrophobicContact CD1-CB 4.04Å; V126-A139 HydrophobicContact CG1-CB 4.06Å; A139-M328 HydrophobicContact CB-CE 4.37Å; A139-M328 PolarHBondContact N-O 2.87Å; A139-M328 PolarHBondContact O-N 2.97Å; A139-L330 HydrophobicContact CB-CD1 4.34Å
140I94.9Very high90.4Very high1 Ų168.5 Ų68.51%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-105112.4178.9-54.5-57.6000108.8Y108 F112 V126 V127 S129 F325 I326 Q327Y108-I140 HydrophobicContact CD2-CG2 3.93Å; Y108-I140 HydrophobicContact CE2-CB 3.94Å; Y108-I140 HydrophobicContact CE2-CG1 3.88Å; Y108-I140 HydrophobicContact CE2-CG2 3.7Å; F112-I140 HydrophobicContact CD1-CD1 4.36Å; F112-I140 HydrophobicContact CD1-CG1 4.47Å; F112-I140 HydrophobicContact CE1-CD1 3.99Å; F112-I140 HydrophobicContact CZ-CD1 4.23Å; V126-I140 WeakPolarHBondContact CA-O 3.32Å; V127-I140 PolarHBondContact N-O 2.76Å; V127-I140 PolarHBondContact O-N 2.95Å; S129-I140 WeakPolarHBondContact OG-CG1 3.29Å; I140-F325 HydrophobicContact CG2-CD1 3.8Å; I140-I326 WeakPolarHBondContact CA-O 2.95Å; I140-Q327 HydrophobicContact CD1-CB 3.68Å; I140-Q327 HydrophobicContact CD1-CG 3.63Å
141K91.9Very high89.4Confident26 Ų2667.3 Ų67.311%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-92.5117.4176-173171.4-172.3179.10109F123 T125 V126 I143 F325 I326 M328 D393F123-K141 WeakPolarHBondContact O-CE 3.4Å; T125-K141 CarbonylContact O-C 3.54Å; T125-K141 WeakPolarHBondContact O-CA 3.34Å; V126-K141 HydrophobicContact CG2-CB 4.11Å; V126-K141 HydrophobicContact CG2-CD 4.28Å; V126-K141 HydrophobicContact CG2-CG 3.92Å; K141-I143 HydrophobicContact CD-CD1 4.14Å; K141-I143 HydrophobicContact CD-CG1 4.42Å; K141-I143 HydrophobicContact CG-CD1 4.13Å; K141-I143 HydrophobicContact CG-CG1 3.89Å; K141-F325 CarbonylContact O-C 3.48Å; K141-F325 WeakPolarHBondContact O-CA 3.36Å; K141-I326 HydrophobicContact CB-CB 4.37Å; K141-I326 PolarHBondContact N-O 2.99Å; K141-I326 PolarHBondContact O-N 2.92Å; K141-M328 HydrophobicContact CB-CE 3.67Å; K141-M328 HydrophobicContact CD-CE 4.31Å; K141-D393 IonicContact NZ-OD1 3.76Å; K141-D393 PolarHBondContact NZ-OD1 3.08Å
142R90.7Very high88.7Confident23 Ų2369.3 Ų69.39%0.08733%0.334CS..EExtended strand (participates in β ladder)trans-102.3119.9174.7179.6-176.1174.9-143.52.6109.4G124 T125 F194 F323 L324 F325G124-R142 CarbonylContact C-O 3.53Å; G124-R142 VanDerWaalsContact CA-O 3.29Å; G124-R142 WeakPolarHBondContact CA-O 3.29Å; T125-R142 PolarHBondContact N-O 2.93Å; T125-R142 PolarHBondContact O-N 3.38Å; R142-F194 VanDerWaalsContact NH1-CG 3.27Å; R142-F323 HydrophobicContact CG-CB 4.29Å; R142-F323 HydrophobicContact CG-CD1 4.01Å; R142-F323 HydrophobicContact CG-CG 4.44Å; R142-F323 VanDerWaalsContact NE-CD1 3.25Å; R142-F323 VanDerWaalsContact NH2-CE2 3.27Å; R142-L324 CarbonylContact C-O 3.58Å; R142-L324 WeakPolarHBondContact CA-O 3.49Å; R142-F325 HydrophobicContact CB-CD1 4.1Å; R142-F325 HydrophobicContact CB-CE1 3.86Å; R142-F325 HydrophobicContact CB-CZ 4.26Å; R142-F325 HydrophobicContact CG-CD1 4.31Å; R142-F325 HydrophobicContact CG-CE1 3.78Å; R142-F325 HydrophobicContact CG-CE2 4.05Å; R142-F325 HydrophobicContact CG-CZ 3.64Å
143I87.3Confident88Confident22 Ų2268.2 Ų68.211%0.11333%0.331CS..EExtended strand (participates in β ladder)trans-119.3119.7-174.2-48.9-177.1000108.8F123 K141 L145 F323 L324 I326F123-I143 WeakPolarHBondContact O-CG1 3.4Å; K141-I143 HydrophobicContact CD-CD1 4.14Å; K141-I143 HydrophobicContact CD-CG1 4.42Å; K141-I143 HydrophobicContact CG-CD1 4.13Å; K141-I143 HydrophobicContact CG-CG1 3.89Å; I143-L145 PolarHBondContact O-N 3.25Å; I143-F323 CarbonylContact O-C 3.59Å; I143-F323 WeakPolarHBondContact O-CA 3.33Å; I143-L324 HydrophobicContact CB-CB 4.4Å; I143-L324 HydrophobicContact CD1-CD2 4.27Å; I143-L324 PolarHBondContact N-O 2.77Å; I143-L324 PolarHBondContact O-N 3.32Å; I143-I326 HydrophobicContact CD1-CD1 3.75Å
144P85.8Confident87.1Confident47 Ų4764 Ų6431%0.30530%0.301SS..EExtended strand (participates in β ladder)trans-66.6127.8169.526.6-30.3000109.6V319 F323P144-V319 HydrophobicContact CB-CG1 3.49Å; P144-V319 VanDerWaalsContact CB-CG1 3.49Å; P144-V319 HydrophobicContact CG-CG1 4.32Å; P144-F323 HydrophobicContact CB-CD1 4.13Å; P144-F323 HydrophobicContact CB-CE1 3.84Å
145L83.6Confident86.3Confident4 Ų462 Ų622%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-82.8136.2177.9-65.1178.9000110.6I143 K152 V155 F178 G320 V322 L324I143-L145 PolarHBondContact O-N 3.25Å; L145-K152 HydrophobicContact CD1-CD 4.32Å; L145-K152 HydrophobicContact CD1-CG 4.17Å; L145-V155 HydrophobicContact CD2-CB 4.23Å; L145-V155 HydrophobicContact CD2-CG1 3.88Å; L145-F178 HydrophobicContact CD1-CD1 3.61Å; L145-F178 HydrophobicContact CD1-CE1 3.45Å; L145-F178 VanDerWaalsContact CD1-CE1 3.45Å; L145-G320 VanDerWaalsContact O-CA 3.31Å; L145-G320 WeakPolarHBondContact O-CA 3.37Å; L145-G320 PolarHBondContact O-N 3.48Å; L145-V322 HydrophobicContact CB-CB 4.42Å; L145-V322 WeakPolarHBondContact CB-O 3.48Å; L145-V322 HydrophobicContact CD1-CB 4.2Å; L145-V322 HydrophobicContact CD1-CG1 3.67Å; L145-V322 PolarHBondContact N-O 3.01Å; L145-L324 HydrophobicContact CD1-CB 4.34Å; L145-L324 HydrophobicContact CD2-CB 3.84Å; L145-L324 HydrophobicContact CG-CB 4.14Å
146P79.6Confident85.7Confident43 Ų4356.7 Ų56.728%0.27927%0.267SS..EExtended strand (participates in β ladder)trans-68144.2172.828.1-32.8000110.1R148 A151P146-R148 PolarHBondContact O-N 3.37Å; P146-A151 HydrophobicContact CB-CB 3.8Å; P146-A151 HydrophobicContact CG-CB 3.3Å
147N78.7Confident84.9Confident97 Ų9757 Ų5752%0.51926%0.263SS..SBendtrans-64.5-22.6176.5-77.8-32000113.4Q149 P318 G320N147-Q149 PolarHBondContact O-N 2.86Å; N147-P318 PolarHBondContact ND2-O 2.83Å; N147-G320 WeakPolarHBondContact OD1-CA 3.39Å
148R80.3Confident83.9Confident168 Ų16853.8 Ų53.863%0.63425%0.25SS*.SBendtrans-75.8121.3177.8-68.9-176-178155.61.5110.2P146 Y150 A151 K152P146-R148 PolarHBondContact O-N 3.37Å; R148-Y150 VanDerWaalsContact C-N 3.32Å; R148-Y150 PolarHBondContact O-N 2.99Å; R148-A151 HydrophobicContact CB-CB 4.28Å; R148-A151 PolarHBondContact O-N 3.13Å; R148-K152 PolarHBondContact O-N 2.95Å
149Q81.1Confident83.4Confident113 Ų11353.3 Ų53.353%0.52825%0.25SC..Hα-helixtrans-51.4-46.5-178.6-176.259.523.700113.2N147 A151 K152 E153N147-Q149 PolarHBondContact O-N 2.86Å; Q149-A151 VanDerWaalsContact C-N 3.32Å; Q149-A151 PolarHBondContact O-N 3Å; Q149-K152 WeakPolarHBondContact O-CB 3.47Å; Q149-K152 PolarHBondContact O-N 3.32Å; Q149-K152 VanDerWaalsContact O-N 3.15Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.04Å; Q149-E153 PolarHBondContact NE2-OE1 3Å; Q149-E153 WeakPolarHBondContact O-CG 3.44Å; Q149-E153 PolarHBondContact O-N 2.96Å
150Y76.7Confident83Confident115 Ų11559.1 Ų59.145%0.45127%0.273SS..Hα-helixtrans-58.7-41.5177.7178.9-104.3000113R148 E153 R154R148-Y150 VanDerWaalsContact C-N 3.32Å; R148-Y150 PolarHBondContact O-N 2.99Å; Y150-E153 PolarHBondContact O-N 2.82Å; Y150-R154 HydrophobicContact CE1-CG 4.33Å; Y150-R154 WeakPolarHBondContact O-CG 3.44Å; Y150-R154 PolarHBondContact O-N 2.65Å; Y150-R154 VanDerWaalsContact O-N 3.11Å
151A75.7Confident82.5Confident28 Ų2859.5 Ų59.523%0.23128%0.277CS..Hα-helixtrans-71.3-34.8178.900000111.3P146 R148 Q149 R154 V155P146-A151 HydrophobicContact CB-CB 3.8Å; P146-A151 HydrophobicContact CG-CB 3.3Å; R148-A151 HydrophobicContact CB-CB 4.28Å; R148-A151 PolarHBondContact O-N 3.13Å; Q149-A151 VanDerWaalsContact C-N 3.32Å; Q149-A151 PolarHBondContact O-N 3Å; A151-R154 PolarHBondContact O-N 3.18Å; A151-V155 WeakPolarHBondContact O-CG2 3.39Å; A151-V155 PolarHBondContact O-N 3.04Å
152K81.9Confident82.3Confident59 Ų5959 Ų5926%0.25728%0.276SS..Hα-helixtrans-63.1-42.5171.7-174.8176.7179.6176.90111.6L145 R148 Q149 R154 V155 I156L145-K152 HydrophobicContact CD1-CD 4.32Å; L145-K152 HydrophobicContact CD1-CG 4.17Å; R148-K152 PolarHBondContact O-N 2.95Å; Q149-K152 WeakPolarHBondContact O-CB 3.47Å; Q149-K152 PolarHBondContact O-N 3.32Å; Q149-K152 VanDerWaalsContact O-N 3.15Å; K152-R154 VanDerWaalsContact C-N 3.33Å; K152-R154 PolarHBondContact O-N 2.65Å; K152-V155 PolarHBondContact O-N 3.08Å; K152-I156 HydrophobicContact CG-CD1 3.99Å; K152-I156 VanDerWaalsContact O-CG1 3.29Å; K152-I156 WeakPolarHBondContact O-CG1 3.43Å; K152-I156 PolarHBondContact O-N 3.33Å
153E82.3Confident82.3Confident84 Ų8460.3 Ų60.339%0.39329%0.291SS..Hα-helixtrans-64.1-35.2177.5-75.7170.7-167.800113.1Q149 Y150 I156 R157Q149-E153 WeakPolarHBondContact CG-OE1 3.04Å; Q149-E153 PolarHBondContact NE2-OE1 3Å; Q149-E153 WeakPolarHBondContact O-CG 3.44Å; Q149-E153 PolarHBondContact O-N 2.96Å; Y150-E153 PolarHBondContact O-N 2.82Å; E153-I156 PolarHBondContact O-N 2.71Å; E153-R157 WeakPolarHBondContact O-CB 3.03Å; E153-R157 PolarHBondContact O-N 2.97Å
154R77.9Confident82.4Confident41 Ų4166 Ų6616%0.15531%0.311CS..Hα-helixtrans-60.4-51.8173.1-72.417665.9147.49.4111.8Y150 A151 K152 I156 R157 E158 D410Y150-R154 HydrophobicContact CE1-CG 4.33Å; Y150-R154 WeakPolarHBondContact O-CG 3.44Å; Y150-R154 PolarHBondContact O-N 2.65Å; Y150-R154 VanDerWaalsContact O-N 3.11Å; A151-R154 PolarHBondContact O-N 3.18Å; K152-R154 VanDerWaalsContact C-N 3.33Å; K152-R154 PolarHBondContact O-N 2.65Å; R154-I156 VanDerWaalsContact C-N 3.27Å; R154-I156 PolarHBondContact O-N 2.78Å; R154-R157 WeakPolarHBondContact O-CB 3.21Å; R154-R157 PolarHBondContact O-N 3.4Å; R154-R157 VanDerWaalsContact O-N 3.1Å; R154-E158 WeakPolarHBondContact O-CG 3.48Å; R154-E158 PolarHBondContact O-N 2.8Å; R154-E158 VanDerWaalsContact O-N 3.09Å; R154-D410 IonicContact CZ-OD1 2.87Å; R154-D410 IonicContact CZ-OD2 2.71Å; R154-D410 IonicContact NH1-OD1 2.82Å; R154-D410 PolarHBondContact NH1-OD1 3.37Å; R154-D410 IonicContact NH1-OD2 3.05Å; R154-D410 IonicContact NH2-OD1 3.21Å; R154-D410 IonicContact NH2-OD2 2.75Å
155V80.2Confident82.7Confident23 Ų2364.2 Ų64.214%0.13930%0.298CS..Hα-helixtrans-58.5-41.4177.1179.90000110.7L145 A151 K152 R157 E158 V159 L324L145-V155 HydrophobicContact CD2-CB 4.23Å; L145-V155 HydrophobicContact CD2-CG1 3.88Å; A151-V155 WeakPolarHBondContact O-CG2 3.39Å; A151-V155 PolarHBondContact O-N 3.04Å; K152-V155 PolarHBondContact O-N 3.08Å; V155-R157 PolarHBondContact O-N 2.79Å; V155-E158 PolarHBondContact O-N 2.92Å; V155-V159 WeakPolarHBondContact O-CG2 3.17Å; V155-V159 PolarHBondContact O-N 2.98Å; V155-V159 VanDerWaalsContact O-N 3.14Å; V155-L324 HydrophobicContact CG1-CD2 3.53Å
156I83.8Confident83.3Confident45 Ų4568.4 Ų68.423%0.23132%0.321CS..Hα-helixtrans-65.2-39.4177.4-68.3168.4000111.9K152 E153 R154 E158 V159 K160 F178K152-I156 HydrophobicContact CG-CD1 3.99Å; K152-I156 VanDerWaalsContact O-CG1 3.29Å; K152-I156 WeakPolarHBondContact O-CG1 3.43Å; K152-I156 PolarHBondContact O-N 3.33Å; E153-I156 PolarHBondContact O-N 2.71Å; R154-I156 VanDerWaalsContact C-N 3.27Å; R154-I156 PolarHBondContact O-N 2.78Å; I156-E158 VanDerWaalsContact C-N 3.3Å; I156-E158 PolarHBondContact O-N 3.23Å; I156-V159 PolarHBondContact O-N 3.02Å; I156-K160 HydrophobicContact CG2-CD 4.26Å; I156-K160 WeakPolarHBondContact O-CG 3.39Å; I156-K160 PolarHBondContact O-N 2.84Å; I156-F178 HydrophobicContact CD1-CZ 4.14Å; I156-F178 HydrophobicContact CG1-CZ 4.08Å
157R79.6Confident84.1Confident119 Ų11968.3 Ų68.345%0.44932%0.317SS..Hα-helixtrans-61.9-40.7177.1-170.3-174.5-64.9110.8-2.7111.2E153 R154 V155 K160 A161E153-R157 WeakPolarHBondContact O-CB 3.03Å; E153-R157 PolarHBondContact O-N 2.97Å; R154-R157 WeakPolarHBondContact O-CB 3.21Å; R154-R157 PolarHBondContact O-N 3.4Å; R154-R157 VanDerWaalsContact O-N 3.1Å; V155-R157 PolarHBondContact O-N 2.79Å; R157-K160 PolarHBondContact O-N 2.64Å; R157-A161 PolarHBondContact O-N 3.41Å
158E77.5Confident84.9Confident42 Ų4267.7 Ų67.720%0.19632%0.318CS..Hα-helixtrans-63.4-43.7176.7-69.2159.7-153.700111.8R154 V155 I156 K160 A161 L162 G395R154-E158 WeakPolarHBondContact O-CG 3.48Å; R154-E158 PolarHBondContact O-N 2.8Å; R154-E158 VanDerWaalsContact O-N 3.09Å; V155-E158 PolarHBondContact O-N 2.92Å; I156-E158 VanDerWaalsContact C-N 3.3Å; I156-E158 PolarHBondContact O-N 3.23Å; E158-K160 VanDerWaalsContact C-N 3.32Å; E158-K160 PolarHBondContact O-N 2.77Å; E158-A161 WeakPolarHBondContact O-CB 3.45Å; E158-A161 PolarHBondContact O-N 3.03Å; E158-L162 WeakPolarHBondContact O-CB 3.49Å; E158-L162 PolarHBondContact O-N 2.84Å; E158-G395 VanDerWaalsContact OE1-O 3.13Å
159V85.9Confident85.7Confident13 Ų1360 Ų608%0.07929%0.291CS..Hα-helixtrans-61.2-42.4174.7178.20000111.3V155 I156 A161 L162 A163 Y173 S176 L324 I326V155-V159 WeakPolarHBondContact O-CG2 3.17Å; V155-V159 PolarHBondContact O-N 2.98Å; V155-V159 VanDerWaalsContact O-N 3.14Å; I156-V159 PolarHBondContact O-N 3.02Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.23Å; V159-L162 PolarHBondContact O-N 2.78Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 3.3Å; V159-Y173 HydrophobicContact CG1-CE2 4.07Å; V159-S176 WeakPolarHBondContact CG1-OG 3.19Å; V159-L324 HydrophobicContact CG2-CD1 4.46Å; V159-L324 HydrophobicContact CG2-CD2 3.45Å; V159-L324 VanDerWaalsContact CG2-CD2 3.45Å; V159-L324 HydrophobicContact CG2-CG 4.49Å; V159-I326 HydrophobicContact CG2-CD1 3.8Å; V159-I326 HydrophobicContact CG2-CG1 4.33Å
160K88.3Confident86.4Confident128 Ų12854.7 Ų54.756%0.55727%0.266SS*.Hα-helixtrans-64-38.8177.4-73.6176.8178.3-178.80112.1I156 R157 E158 R164I156-K160 HydrophobicContact CG2-CD 4.26Å; I156-K160 WeakPolarHBondContact O-CG 3.39Å; I156-K160 PolarHBondContact O-N 2.84Å; R157-K160 PolarHBondContact O-N 2.64Å; E158-K160 VanDerWaalsContact C-N 3.32Å; E158-K160 PolarHBondContact O-N 2.77Å; K160-R164 WeakPolarHBondContact O-CG 3.39Å
161A84.6Confident87.3Confident9 Ų949.9 Ų49.97%0.07425%0.249CC..Hα-helixtrans-63.9-48.617500000110.9R157 E158 V159 A163 R164 M371 V397R157-A161 PolarHBondContact O-N 3.41Å; E158-A161 WeakPolarHBondContact O-CB 3.45Å; E158-A161 PolarHBondContact O-N 3.03Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.23Å; A161-A163 VanDerWaalsContact C-N 3.3Å; A161-A163 PolarHBondContact O-N 3.14Å; A161-R164 PolarHBondContact O-N 3.27Å; A161-R164 VanDerWaalsContact O-N 3.12Å; A161-M371 HydrophobicContact CB-SD 3.71Å; A161-V397 HydrophobicContact CB-CB 4.48Å; A161-V397 HydrophobicContact CB-CG1 3.81Å
162L86.5Confident88.2Confident17 Ų1753.4 Ų53.49%0.08926%0.256CS..Hα-helixtrans-60.1-39.6177.8-177.963.2000112.4E158 V159 R164 L165 Y173 I326 F394E158-L162 WeakPolarHBondContact O-CB 3.49Å; E158-L162 PolarHBondContact O-N 2.84Å; V159-L162 PolarHBondContact O-N 2.78Å; L162-R164 PolarHBondContact O-N 3.18Å; L162-R164 VanDerWaalsContact O-N 3.16Å; L162-L165 PolarHBondContact O-N 2.79Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-Y173 HydrophobicContact CD2-CD2 4.06Å; L162-Y173 HydrophobicContact CG-CD2 4.29Å; L162-Y173 HydrophobicContact CG-CG 4.38Å; L162-I326 HydrophobicContact CD2-CG2 4.32Å; L162-F394 HydrophobicContact CD1-CD2 3.57Å; L162-F394 HydrophobicContact CD1-CE2 4.05Å; L162-F394 HydrophobicContact CD1-CG 4.34Å
163A91.4Very high88.9Confident49 Ų4952.6 Ų52.641%0.40525%0.252SS..THydrogen-bonded Turntrans-64.7-16.5178.900000114.2V159 A161 Y173V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 3.3Å; A161-A163 VanDerWaalsContact C-N 3.3Å; A161-A163 PolarHBondContact O-N 3.14Å; A163-Y173 HydrophobicContact CB-CD1 3.79Å; A163-Y173 HydrophobicContact CB-CE1 3.56Å; A163-Y173 HydrophobicContact CB-CG 4.4Å
164R89.7Confident89.5Confident143 Ų14353.1 Ų53.154%0.5425%0.251SS..THydrogen-bonded Turntrans-90.8-13.2177.3-67.1170.1-178.7173.2-2.5113.3K160 A161 L162 E399K160-R164 WeakPolarHBondContact O-CG 3.39Å; A161-R164 PolarHBondContact O-N 3.27Å; A161-R164 VanDerWaalsContact O-N 3.12Å; L162-R164 PolarHBondContact O-N 3.18Å; L162-R164 VanDerWaalsContact O-N 3.16Å; R164-E399 IonicContact CZ-OE1 3.87Å; R164-E399 IonicContact NH1-OE1 3.64Å; R164-E399 PolarHBondContact NH1-OE1 2.66Å; R164-E399 IonicContact NH1-OE2 2.77Å; R164-E399 IonicContact NH2-OE1 3.43Å
165L92.4Very high90.3Very high8 Ų854 Ų544%0.04226%0.259CS..  trans-87118.3-177.6-69.6172.2000110.6L162 I170 Y365 V366 M371 F394L162-L165 PolarHBondContact O-N 2.79Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L165-I170 HydrophobicContact CB-CG2 4.19Å; L165-I170 HydrophobicContact CD1-CG2 4.28Å; L165-Y365 HydrophobicContact CB-CE1 4.29Å; L165-Y365 HydrophobicContact CD2-CD1 3.91Å; L165-Y365 HydrophobicContact CD2-CE1 3.47Å; L165-Y365 VanDerWaalsContact CD2-CE1 3.47Å; L165-V366 HydrophobicContact CD2-CG2 4.15Å; L165-M371 HydrophobicContact CD1-CE 4.12Å; L165-M371 HydrophobicContact CD2-CE 3.25Å; L165-M371 HydrophobicContact CG-CE 3.62Å; L165-F394 HydrophobicContact CD1-CD1 4.03Å; L165-F394 HydrophobicContact CD1-CD2 4.4Å; L165-F394 HydrophobicContact CD1-CE1 3.73Å; L165-F394 HydrophobicContact CD1-CE2 4.17Å; L165-F394 HydrophobicContact CD1-CG 4.34Å; L165-F394 HydrophobicContact CD1-CZ 3.83Å
166D94.5Very high91Very high93 Ų9354.4 Ų54.450%0.49726%0.262SS..  trans-131.897.3168.9-166.1-4.7000110.4R172 Y365D166-R172 IonicContact OD1-CZ 2.59Å; D166-R172 IonicContact OD1-NH1 2.79Å; D166-R172 PolarHBondContact OD1-NH1 3.4Å; D166-R172 IonicContact OD2-CZ 3.15Å; D166-R172 IonicContact OD2-NH1 3.54Å; D166-R172 PolarHBondContact OD2-NH1 2.8Å; D166-R172 IonicContact OD2-NH2 2.66Å; D166-R172 PolarHBondContact OD2-NH2 2.7Å; D166-Y365 PolarHBondContact N-OH 3.01Å; D166-Y365 PolarHBondContact O-OH 3.15Å
167H96.4Very high91.6Very high40 Ų4053 Ų5319%0.18525%0.254CS..  trans-150142.4-179.1179.7-91.4000111G169 I170 A362 Y365H167-G169 PolarHBondContact CE1-N 3.11Å; H167-G169 PolarHBondContact ND1-N 2.81Å; H167-G169 PolarHBondContact O-N 2.95Å; H167-I170 HydrophobicContact CB-CB 4.3Å; H167-I170 HydrophobicContact CB-CG1 3.72Å; H167-I170 PolarHBondContact O-N 3.36Å; H167-A362 VanDerWaalsContact CE1-CA 3.5Å; H167-A362 WeakPolarHBondContact CE1-CA 3.49Å; H167-Y365 HydrophobicContact CB-CD1 3.42Å; H167-Y365 VanDerWaalsContact CB-CD1 3.42Å; H167-Y365 HydrophobicContact CB-CD2 4.4Å; H167-Y365 HydrophobicContact CB-CE1 3.62Å; H167-Y365 HydrophobicContact CB-CG 3.84Å; H167-Y365 AromaticContact CD2-CG 3.83Å; H167-Y365 AromaticContact CG-CD1 3.94Å; H167-Y365 AromaticContact CG-CG 3.93Å
168P96.4Very high92.2Very high84 Ų8452.3 Ų52.355%0.54526%0.255SS..THydrogen-bonded Turntrans-59.9-27.6-178.222.5-35.6000114.3K390P168-K390 WeakPolarHBondContact O-CD 3.27Å; P168-K390 WeakPolarHBondContact O-CE 3.41Å; P168-K390 PolarHBondContact O-NZ 3.43Å
169G96.9Very high92.9Very high6 Ų651 Ų516%0.06225%0.248CC..THydrogen-bonded Turntrans-89.89.2175.100000115.2H167 A362 V389 K390 I391H167-G169 PolarHBondContact CE1-N 3.11Å; H167-G169 PolarHBondContact ND1-N 2.81Å; H167-G169 PolarHBondContact O-N 2.95Å; G169-A362 WeakPolarHBondContact O-CB 3.44Å; G169-V389 WeakPolarHBondContact CA-O 3.37Å; G169-K390 CarbonylContact O-C 3.53Å; G169-K390 WeakPolarHBondContact O-CA 3.37Å; G169-I391 PolarHBondContact O-N 3.25Å
170I96.2Very high93Very high2 Ų256.6 Ų56.61%0.0127%0.274CS..BIsolated β-bridgetrans-116.2141.8179-55-72.8000109L165 H167 R172 A362 Y365 V366 I391 F394L165-I170 HydrophobicContact CB-CG2 4.19Å; L165-I170 HydrophobicContact CD1-CG2 4.28Å; H167-I170 HydrophobicContact CB-CB 4.3Å; H167-I170 HydrophobicContact CB-CG1 3.72Å; H167-I170 PolarHBondContact O-N 3.36Å; I170-R172 PolarHBondContact O-N 2.91Å; I170-A362 HydrophobicContact CD1-CB 3.94Å; I170-A362 HydrophobicContact CG1-CB 4.4Å; I170-Y365 HydrophobicContact CG1-CD1 4.42Å; I170-V366 HydrophobicContact CD1-CG2 3.59Å; I170-I391 HydrophobicContact CD1-CB 4.22Å; I170-F394 HydrophobicContact CD1-CE1 4.46Å; I170-F394 HydrophobicContact CD1-CZ 3.71Å; I170-F394 HydrophobicContact CG2-CE2 3.64Å; I170-F394 HydrophobicContact CG2-CZ 3.67Å
171V95.3Very high92.9Very high14 Ų1451.1 Ų51.19%0.08525%0.251CS..  trans-63.3115.6172.5175.80000108.9Y173 M328 Q329 F382 K390 I391V171-Y173 PolarHBondContact O-N 2.59Å; V171-M328 HydrophobicContact CG1-CB 4.11Å; V171-Q329 HydrophobicContact CG1-CB 4.21Å; V171-F382 HydrophobicContact CG2-CD2 4.19Å; V171-K390 HydrophobicContact CG2-CB 3.82Å; V171-I391 WeakPolarHBondContact CG2-O 3.43Å; V171-I391 PolarHBondContact N-O 3.21Å
172R95.5Very high92.9Very high102 Ų10254 Ų5439%0.38527%0.269SS..  trans-66.8132.1-174.9-171.6176.9-174.490.86.4111.6D166 I170 Y174 M328 Q329D166-R172 IonicContact OD1-CZ 2.59Å; D166-R172 IonicContact OD1-NH1 2.79Å; D166-R172 PolarHBondContact OD1-NH1 3.4Å; D166-R172 IonicContact OD2-CZ 3.15Å; D166-R172 IonicContact OD2-NH1 3.54Å; D166-R172 PolarHBondContact OD2-NH1 2.8Å; D166-R172 IonicContact OD2-NH2 2.66Å; D166-R172 PolarHBondContact OD2-NH2 2.7Å; I170-R172 PolarHBondContact O-N 2.91Å; R172-Y174 HydrophobicContact CG-CE1 4.35Å; R172-M328 CarbonylContact O-C 3.49Å; R172-M328 VanDerWaalsContact O-CA 3.32Å; R172-M328 WeakPolarHBondContact O-CA 3.47Å; R172-Q329 HydrophobicContact CB-CB 4.05Å; R172-Q329 PolarHBondContact O-N 3.47Å
173Y94.9Very high92.4Very high42 Ų4258 Ų5817%0.16530%0.304CS..EExtended strand (participates in β ladder)trans-87.1139.8165.6166.8-85.9000110.8V159 L162 A163 V171 N175 S176 I326V159-Y173 HydrophobicContact CG1-CE2 4.07Å; L162-Y173 HydrophobicContact CD2-CD2 4.06Å; L162-Y173 HydrophobicContact CG-CD2 4.29Å; L162-Y173 HydrophobicContact CG-CG 4.38Å; A163-Y173 HydrophobicContact CB-CD1 3.79Å; A163-Y173 HydrophobicContact CB-CE1 3.56Å; A163-Y173 HydrophobicContact CB-CG 4.4Å; V171-Y173 PolarHBondContact O-N 2.59Å; Y173-N175 VanDerWaalsContact CZ-C 3.47Å; Y173-S176 PolarHBondContact OH-N 3.12Å; Y173-S176 VanDerWaalsContact OH-N 3.1Å; Y173-S176 PolarHBondContact OH-OG 3.36Å; Y173-I326 HydrophobicContact CD2-CG2 3.78Å; Y173-I326 HydrophobicContact CE2-CG2 3.97Å
174Y95.7Very high91.4Very high95 Ų9558 Ų5837%0.37331%0.309SS..EExtended strand (participates in β ladder)trans-112.1-52.2176.5-66.1-79.6000112.3Y138 R172 Q327 Q329Y138-Y174 AromaticContact CD1-CD2 3.82Å; Y138-Y174 HydrophobicContact CD1-CD2 3.82Å; Y138-Y174 AromaticContact CD1-CE2 3.73Å; Y138-Y174 HydrophobicContact CD1-CE2 3.73Å; Y138-Y174 HydrophobicContact CE1-CD1 4.42Å; Y138-Y174 AromaticContact CE1-CD2 3.85Å; Y138-Y174 HydrophobicContact CE1-CD2 3.85Å; Y138-Y174 HydrophobicContact CE1-CE1 4.25Å; Y138-Y174 AromaticContact CE1-CE2 3.65Å; Y138-Y174 HydrophobicContact CE1-CE2 3.65Å; Y138-Y174 HydrophobicContact CE1-CG 4.23Å; Y138-Y174 AromaticContact CE1-CZ 3.87Å; R172-Y174 HydrophobicContact CG-CE1 4.35Å; Y174-Q327 HydrophobicContact CD2-CG 4.13Å; Y174-Q327 HydrophobicContact CG-CG 4.36Å; Y174-Q327 PolarHBondContact N-O 2.9Å; Y174-Q329 HydrophobicContact CE2-CB 4.19Å
175N95.2Very high90.8Very high61 Ų6152.3 Ų52.333%0.32629%0.288SS..EExtended strand (participates in β ladder)trans-162.6165.8-176.9-160.95.1000110.9Y173 Q327Y173-N175 VanDerWaalsContact CZ-C 3.47Å; N175-Q327 PolarHBondContact O-N 3.34Å
176S94.9Very high89.7Confident30 Ų3053.6 Ų53.621%0.2129%0.294CS..EExtended strand (participates in β ladder)trans-147.2149.1170.655.20000111.5V159 Y173 F325V159-S176 WeakPolarHBondContact CG1-OG 3.19Å; Y173-S176 PolarHBondContact OH-N 3.12Å; Y173-S176 VanDerWaalsContact OH-N 3.1Å; Y173-S176 PolarHBondContact OH-OG 3.36Å; S176-F325 CarbonylContact C-O 3.58Å; S176-F325 WeakPolarHBondContact CA-O 3.33Å; S176-F325 WeakPolarHBondContact CB-O 3.25Å
177W95.3Very high88.4Confident15 Ų1555.8 Ų55.86%0.05730%0.302CS..EExtended strand (participates in β ladder)trans-148165.417764.996.4000111.2Y108 F112 E179 F325 Q327Y108-W177 HydrophobicContact CD2-CZ2 4.18Å; F112-W177 HydrophobicContact CD2-CH2 4.29Å; F112-W177 AromaticContact CE2-CH2 3.65Å; F112-W177 HydrophobicContact CE2-CH2 3.65Å; F112-W177 HydrophobicContact CE2-CZ2 4.23Å; F112-W177 HydrophobicContact CE2-CZ3 4.36Å; F112-W177 HydrophobicContact CZ-CH2 4.25Å; W177-E179 PolarHBondContact NE1-OE1 3.42Å; W177-F325 HydrophobicContact CD2-CB 3.81Å; W177-F325 VanDerWaalsContact CE2-CB 3.44Å; W177-F325 AromaticContact CE2-CG 3.9Å; W177-F325 HydrophobicContact CE3-CB 4.24Å; W177-F325 HydrophobicContact CG-CB 4.35Å; W177-F325 HydrophobicContact CH2-CB 4.02Å; W177-F325 HydrophobicContact CZ2-CB 3.57Å; W177-F325 HydrophobicContact CZ2-CD1 4.08Å; W177-F325 AromaticContact CZ2-CG 3.95Å; W177-F325 HydrophobicContact CZ2-CG 3.95Å; W177-F325 HydrophobicContact CZ3-CB 4.34Å; W177-F325 PolarHBondContact N-O 3.1Å; W177-F325 AromaticContact NE1-CD2 3.97Å; W177-F325 AromaticContact NE1-CG 3.88Å; W177-F325 PolarHBondContact O-N 3.42Å; W177-Q327 HydrophobicContact CZ3-CB 4.18Å
178F93Very high86.8Confident106 Ų10655.6 Ų55.647%0.46531%0.305SS..EExtended strand (participates in β ladder)trans-102.4149.1173.8-61.2-70.2000110.9L145 I156 V322 F323 L324L145-F178 HydrophobicContact CD1-CD1 3.61Å; L145-F178 HydrophobicContact CD1-CE1 3.45Å; L145-F178 VanDerWaalsContact CD1-CE1 3.45Å; I156-F178 HydrophobicContact CD1-CZ 4.14Å; I156-F178 HydrophobicContact CG1-CZ 4.08Å; F178-V322 HydrophobicContact CB-CG1 4.36Å; F178-V322 HydrophobicContact CD1-CG1 4.27Å; F178-F323 CarbonylContact C-O 3.55Å; F178-F323 VanDerWaalsContact CA-O 3.28Å; F178-F323 WeakPolarHBondContact CA-O 3.31Å; F178-L324 HydrophobicContact CD1-CB 4.06Å; F178-L324 HydrophobicContact CD1-CD1 3.99Å; F178-L324 HydrophobicContact CE1-CB 3.96Å; F178-L324 HydrophobicContact CE1-CD1 3.6Å; F178-L324 HydrophobicContact CE1-CG 4.3Å; F178-L324 HydrophobicContact CZ-CD1 4.1Å
179E91.7Very high85.1Confident13 Ų1356.5 Ų56.56%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-132.8139166-59.6-171-177.300109.6F104 S106 R107 Y108 W177 V322 F323 F325F104-E179 HydrophobicContact CZ-CB 4.46Å; S106-E179 WeakPolarHBondContact CB-OE2 3.35Å; S106-E179 PolarHBondContact OG-OE1 2.94Å; S106-E179 PolarHBondContact OG-OE2 3.43Å; R107-E179 PolarHBondContact N-OE1 3.28Å; R107-E179 VanDerWaalsContact N-OE1 3.16Å; Y108-E179 WeakPolarHBondContact CB-OE1 3.43Å; Y108-E179 PolarHBondContact N-OE1 3.23Å; W177-E179 PolarHBondContact NE1-OE1 3.42Å; E179-V322 CarbonylContact O-C 3.59Å; E179-V322 WeakPolarHBondContact O-CA 3.44Å; E179-F323 PolarHBondContact N-O 3.38Å; E179-F323 PolarHBondContact O-N 2.84Å; E179-F325 HydrophobicContact CB-CD2 4.38Å; E179-F325 HydrophobicContact CB-CE2 3.91Å; E179-F325 HydrophobicContact CG-CD2 3.96Å; E179-F325 HydrophobicContact CG-CE2 3.76Å
180E89.3Confident83.5Confident132 Ų13261.3 Ų61.362%0.61733%0.334SS*.  trans-125.280.2177.1-172.6168-172.900108.2F104 V322F104-E180 WeakPolarHBondContact CE2-O 3.37Å; E180-V322 HydrophobicContact CB-CG2 4.29Å; E180-V322 HydrophobicContact CG-CG2 3.95Å
181P85.8Confident82.1Confident13 Ų1361.2 Ų61.28%0.08433%0.334CS..PPolyproline II helixtrans-62.9141.9177.925.2-35.2000111.2F104 W185 D321 F323F104-P181 HydrophobicContact CD1-CB 4.39Å; F104-P181 HydrophobicContact CE1-CB 3.77Å; F104-P181 HydrophobicContact CE2-CB 4.45Å; F104-P181 HydrophobicContact CZ-CB 3.81Å; P181-W185 HydrophobicContact CB-CB 4.01Å; P181-W185 HydrophobicContact CB-CD2 3.96Å; P181-W185 HydrophobicContact CB-CE3 3.65Å; P181-W185 HydrophobicContact CB-CG 4.13Å; P181-W185 HydrophobicContact CB-CZ3 4.44Å; P181-W185 HydrophobicContact CG-CE3 4.4Å; P181-D321 WeakPolarHBondContact CD-O 3.49Å; P181-F323 HydrophobicContact CG-CD2 3.91Å; P181-F323 HydrophobicContact CG-CE2 3.79Å
182P83.7Confident80.8Confident68 Ų6862.1 Ų62.144%0.44234%0.343SS..PPolyproline II helixtrans-66.4154.8176.626.1-31.3000111.2F104 G184 W185F104-P182 VanDerWaalsContact CB-CD 3.5Å; F104-P182 HydrophobicContact CB-CG 3.78Å; F104-P182 HydrophobicContact CG-CG 4.19Å; P182-G184 PolarHBondContact O-N 2.93Å; P182-W185 HydrophobicContact CG-CB 4.07Å; P182-W185 WeakPolarHBondContact O-CB 3.5Å; P182-W185 PolarHBondContact O-N 3.28Å
183A76.3Confident79.4Confident101 Ų10159 Ų5984%0.83534%0.335SS*.THydrogen-bonded Turntrans-56128175.900000110.6
184G70.8Confident78Confident49 Ų4957.5 Ų57.551%0.50533%0.329SS..THydrogen-bonded Turntrans92.7-7-175.800000115.1P182 L186 E187P182-G184 PolarHBondContact O-N 2.93Å; G184-L186 PolarHBondContact O-N 2.91Å; G184-E187 WeakPolarHBondContact CA-OE2 3.36Å; G184-E187 PolarHBondContact O-N 3.46Å
185W77.6Confident76.4Confident24 Ų2455.1 Ų55.19%0.09132%0.323CS..G310 helixtrans-68.5-26.4179.1-174.878.9000112.6F104 L109 P181 P182 E187 S188 E190 A191 F194F104-W185 AromaticContact CD1-CD1 3.64Å; F104-W185 HydrophobicContact CD1-CD2 4.01Å; F104-W185 AromaticContact CD1-CE2 3.74Å; F104-W185 AromaticContact CD1-CG 3.95Å; F104-W185 HydrophobicContact CD1-CG 3.95Å; F104-W185 HydrophobicContact CD1-CZ2 4.37Å; F104-W185 AromaticContact CD1-NE1 3.51Å; F104-W185 AromaticContact CE1-CD2 3.8Å; F104-W185 HydrophobicContact CE1-CD2 3.8Å; F104-W185 AromaticContact CE1-CE2 3.61Å; F104-W185 HydrophobicContact CE1-CE3 4.25Å; F104-W185 HydrophobicContact CE1-CG 4.19Å; F104-W185 HydrophobicContact CE1-CH2 4.32Å; F104-W185 AromaticContact CE1-CZ2 3.9Å; F104-W185 HydrophobicContact CE1-CZ2 3.9Å; F104-W185 HydrophobicContact CE1-CZ3 4.49Å; F104-W185 AromaticContact CE1-NE1 3.89Å; L109-W185 HydrophobicContact CD1-CH2 3.79Å; L109-W185 HydrophobicContact CD1-CZ2 3.98Å; P181-W185 HydrophobicContact CB-CB 4.01Å; P181-W185 HydrophobicContact CB-CD2 3.96Å; P181-W185 HydrophobicContact CB-CE3 3.65Å; P181-W185 HydrophobicContact CB-CG 4.13Å; P181-W185 HydrophobicContact CB-CZ3 4.44Å; P181-W185 HydrophobicContact CG-CE3 4.4Å; P182-W185 HydrophobicContact CG-CB 4.07Å; P182-W185 WeakPolarHBondContact O-CB 3.5Å; P182-W185 PolarHBondContact O-N 3.28Å; W185-E187 PolarHBondContact O-N 2.91Å; W185-S188 WeakPolarHBondContact O-CB 3.41Å; W185-S188 PolarHBondContact O-N 3.47Å; W185-S188 PolarHBondContact O-OG 3.36Å; W185-E190 HydrophobicContact CZ2-CB 4.06Å; W185-A191 HydrophobicContact CE3-CB 4Å; W185-A191 HydrophobicContact CH2-CB 4.3Å; W185-A191 HydrophobicContact CZ3-CB 3.88Å; W185-A191 WeakPolarHBondContact O-CB 3.48Å; W185-F194 HydrophobicContact CH2-CD2 4.46Å; W185-F194 AromaticContact CH2-CE2 3.84Å; W185-F194 HydrophobicContact CH2-CE2 3.84Å; W185-F194 HydrophobicContact CZ3-CD2 4.17Å; W185-F194 AromaticContact CZ3-CE2 3.83Å; W185-F194 HydrophobicContact CZ3-CE2 3.83Å
186L67.9Low74.5Confident35 Ų3557.1 Ų57.118%0.18333%0.333CS..G310 helixtrans-68.6-19.7-177.9-137.790.4000112.9G184 S188 A191 R198G184-L186 PolarHBondContact O-N 2.91Å; L186-S188 VanDerWaalsContact C-N 3.32Å; L186-A191 HydrophobicContact CG-CB 4.37Å; L186-A191 VanDerWaalsContact O-CB 3.31Å; L186-A191 WeakPolarHBondContact O-CB 3.5Å; L186-R198 VanDerWaalsContact CD2-CZ 3.43Å
187E66.9Low72.3Confident139 Ų13956.7 Ų56.765%0.6533%0.329SS*.G310 helixtrans-82.8-9.1174.5-64.781.8171.900112.5G184 W185G184-E187 WeakPolarHBondContact CA-OE2 3.36Å; G184-E187 PolarHBondContact O-N 3.46Å; W185-E187 PolarHBondContact O-N 2.91Å
188S64.5Low69.8Low36 Ų3662.5 Ų62.525%0.25235%0.351SS..SBendtrans-68.6155.1174.974.50000111.9W185 L186 E190 A191 A192W185-S188 WeakPolarHBondContact O-CB 3.41Å; W185-S188 PolarHBondContact O-N 3.47Å; W185-S188 PolarHBondContact O-OG 3.36Å; L186-S188 VanDerWaalsContact C-N 3.32Å; S188-E190 PolarHBondContact O-N 3.47Å; S188-A191 PolarHBondContact O-N 3.12Å; S188-A191 VanDerWaalsContact O-N 3.15Å; S188-A191 PolarHBondContact OG-N 3.18Å; S188-A192 PolarHBondContact O-N 3.42Å
189S60.2Low67.2Low104 Ų10461.2 Ų61.273%0.72735%0.352SS*.THydrogen-bonded Turntrans-61.9-28.5174.9-52.50000112.8A191 A192S189-A191 VanDerWaalsContact C-N 3.33Å; S189-A192 WeakPolarHBondContact O-CB 3.02Å; S189-A192 PolarHBondContact O-N 2.93Å
190E62.3Low64.5Low106 Ų10669.1 Ų69.150%0.49539%0.386SS..THydrogen-bonded Turntrans-65.3-37.3175.9-65.1-167.7146.900111.9L109 W185 S188 A192L109-E190 HydrophobicContact CD1-CB 3.83Å; L109-E190 WeakPolarHBondContact CD1-O 3.49Å; W185-E190 HydrophobicContact CZ2-CB 4.06Å; S188-E190 PolarHBondContact O-N 3.47Å; E190-A192 VanDerWaalsContact C-N 3.25Å; E190-A192 PolarHBondContact O-N 3.13Å
191A66.7Low61.5Low0 Ų068.7 Ų68.70%038%0.384CS..THydrogen-bonded Turntrans-77.4-7.7178.500000113.9W185 L186 S188 S189 V193 F194 N195W185-A191 HydrophobicContact CE3-CB 4Å; W185-A191 HydrophobicContact CH2-CB 4.3Å; W185-A191 HydrophobicContact CZ3-CB 3.88Å; W185-A191 WeakPolarHBondContact O-CB 3.48Å; L186-A191 HydrophobicContact CG-CB 4.37Å; L186-A191 VanDerWaalsContact O-CB 3.31Å; L186-A191 WeakPolarHBondContact O-CB 3.5Å; S188-A191 PolarHBondContact O-N 3.12Å; S188-A191 VanDerWaalsContact O-N 3.15Å; S188-A191 PolarHBondContact OG-N 3.18Å; S189-A191 VanDerWaalsContact C-N 3.33Å; A191-V193 PolarHBondContact O-N 3.46Å; A191-V193 VanDerWaalsContact O-N 3.12Å; A191-F194 HydrophobicContact CB-CD2 4.34Å; A191-F194 WeakPolarHBondContact O-CB 3.28Å; A191-F194 PolarHBondContact O-N 2.49Å; A191-N195 PolarHBondContact O-N 3.21Å
192A67.6Low58.7Low34 Ų3473.2 Ų73.228%0.28142%0.415SS..Hα-helixtrans-55.9-31.9179.200000112.7S188 S189 E190 F194 N195 I196S188-A192 PolarHBondContact O-N 3.42Å; S189-A192 WeakPolarHBondContact O-CB 3.02Å; S189-A192 PolarHBondContact O-N 2.93Å; E190-A192 VanDerWaalsContact C-N 3.25Å; E190-A192 PolarHBondContact O-N 3.13Å; A192-F194 PolarHBondContact O-N 3.04Å; A192-N195 WeakPolarHBondContact O-CA 3.07Å; A192-N195 WeakPolarHBondContact O-CB 3.47Å; A192-N195 PolarHBondContact O-N 2.81Å; A192-I196 PolarHBondContact O-N 2.66Å
193V66.3Low55.9Low35 Ų3575.8 Ų75.821%0.21244%0.435CS..Hα-helixtrans-53.3-42.7171.5154.10000112.1P114 A191 N195 I196P114-V193 HydrophobicContact CB-CB 4.43Å; P114-V193 HydrophobicContact CB-CG1 3.43Å; P114-V193 VanDerWaalsContact CB-CG1 3.43Å; P114-V193 HydrophobicContact CB-CG2 4.16Å; P114-V193 HydrophobicContact CG-CB 3.96Å; P114-V193 HydrophobicContact CG-CG1 3.43Å; P114-V193 VanDerWaalsContact CG-CG1 3.43Å; P114-V193 HydrophobicContact CG-CG2 3.34Å; A191-V193 PolarHBondContact O-N 3.46Å; A191-V193 VanDerWaalsContact O-N 3.12Å; V193-N195 PolarHBondContact O-N 3.32Å; V193-I196 WeakPolarHBondContact O-CB 3.45Å; V193-I196 PolarHBondContact O-N 2.65Å
194F65.8Low53.5Low12 Ų1275.1 Ų75.15%0.05344%0.438CS..Hα-helixtrans-75.7-17.8180-58.6-63.6000112.5Y108 L109 R142 W185 A191 A192 F325Y108-F194 AromaticContact CD1-CE1 3.9Å; Y108-F194 HydrophobicContact CD1-CE1 3.9Å; Y108-F194 AromaticContact CD1-CZ 3.51Å; Y108-F194 HydrophobicContact CD1-CZ 3.51Å; Y108-F194 AromaticContact CE1-CE1 3.7Å; Y108-F194 HydrophobicContact CE1-CE1 3.7Å; Y108-F194 AromaticContact CE1-CZ 3.74Å; Y108-F194 HydrophobicContact CE1-CZ 3.74Å; L109-F194 HydrophobicContact CD1-CE2 4.46Å; R142-F194 VanDerWaalsContact NH1-CG 3.27Å; W185-F194 HydrophobicContact CH2-CD2 4.46Å; W185-F194 AromaticContact CH2-CE2 3.84Å; W185-F194 HydrophobicContact CH2-CE2 3.84Å; W185-F194 HydrophobicContact CZ3-CD2 4.17Å; W185-F194 AromaticContact CZ3-CE2 3.83Å; W185-F194 HydrophobicContact CZ3-CE2 3.83Å; A191-F194 HydrophobicContact CB-CD2 4.34Å; A191-F194 WeakPolarHBondContact O-CB 3.28Å; A191-F194 PolarHBondContact O-N 2.49Å; A192-F194 PolarHBondContact O-N 3.04Å; F194-F325 HydrophobicContact CE1-CE1 4.22Å; F194-F325 HydrophobicContact CE1-CZ 4.34Å; F194-F325 HydrophobicContact CZ-CE1 4.24Å; F194-F325 HydrophobicContact CZ-CZ 4.09Å
195N62.4Low51.2Low44 Ų4475.9 Ų75.924%0.23545%0.445CS..Hα-helixtrans-80.6-19.4173.9-65.4-38.1000112.4A191 A192 V193 C197 R198A191-N195 PolarHBondContact O-N 3.21Å; A192-N195 WeakPolarHBondContact O-CA 3.07Å; A192-N195 WeakPolarHBondContact O-CB 3.47Å; A192-N195 PolarHBondContact O-N 2.81Å; V193-N195 PolarHBondContact O-N 3.32Å; N195-C197 PolarHBondContact O-N 3.44Å; N195-R198 WeakPolarHBondContact O-CB 3.48Å; N195-R198 PolarHBondContact O-N 3.28Å
196I55Low48.6Very low104 Ų10481.3 Ų81.353%0.53348%0.481SS..THydrogen-bonded Turntrans-54.9-36.3175.2-63.4172.7000111.2A192 V193 R198A192-I196 PolarHBondContact O-N 2.66Å; V193-I196 WeakPolarHBondContact O-CB 3.45Å; V193-I196 PolarHBondContact O-N 2.65Å; I196-R198 VanDerWaalsContact C-N 3.35Å
197C49.1Very low46.4Very low20 Ų2088.9 Ų88.914%0.13552%0.516CS..THydrogen-bonded Turntrans-81.3-10.1179.3-57.50000113.6C117 T125 N195C117-C197 HydrophobicContact CB-CB 4.38Å; C117-C197 WeakPolarHBondContact CB-SG 3.39Å; C117-C197 WeakPolarHBondContact SG-CB 3.33Å; C117-C197 CovalentContact SG-SG 2.06Å; C117-C197 PolarHBondContact SG-SG 3.42Å; T125-C197 HydrophobicContact CG2-CB 3.91Å; T125-C197 WeakPolarHBondContact CG2-SG 3.29Å; N195-C197 PolarHBondContact O-N 3.44Å
198R43.5Very low44.4Very low137 Ų13787.2 Ų87.252%0.51752%0.52SS..THydrogen-bonded Turntrans-86.2-26.4-176.6-72.2-174.5173.6-179.2-4.3114.1L186 N195 I196L186-R198 VanDerWaalsContact CD2-CZ 3.43Å; N195-R198 WeakPolarHBondContact O-CB 3.48Å; N195-R198 PolarHBondContact O-N 3.28Å; I196-R198 VanDerWaalsContact C-N 3.35Å
199T37.7Very low42.4Very low79 Ų7995.2 Ų95.249%0.48555%0.553SS.*THydrogen-bonded Turntrans-89.6-7.9-172.146.50000115.2Q201 I292T199-Q201 VanDerWaalsContact C-N 3.31Å; T199-Q201 PolarHBondContact O-N 3.35Å; T199-I292 HydrophobicContact CG2-CD1 4.22Å; T199-I292 HydrophobicContact CG2-CG2 4.27Å
200K34.2Very low40.8Very low179 Ų17996.3 Ų96.378%0.77856%0.555SS**THydrogen-bonded Turntrans-84.83.2175.5-76.6-162.9175.2-167.80114.7
201Q28Very low38.9Very low123 Ų12397.5 Ų97.558%0.57557%0.569SS**SBendtrans-101.3125.3161.8-77.9176.7-17.600107.9T199T199-Q201 VanDerWaalsContact C-N 3.31Å; T199-Q201 PolarHBondContact O-N 3.35Å
202C25.2Very low36.8Very low109 Ų109104.3 Ų104.374%0.73661%0.606SS**  trans93.871177.7-51.60000116.8
203S26.2Very low34.7Very low122 Ų122111.7 Ų111.785%0.85364%0.635SS**  trans-142.774.3144.961.90000109.8
204G24.7Very low32.7Very low87 Ų87117.7 Ų117.790%0.89766%0.66SS**  trans-73.7121.3157.300000107.7
205G22.6Very low30.8Very low64 Ų64121.4 Ų121.466%0.6669%0.688SS**  trans-176.788.9-176.300000113.3
206T24Very low29.3Very low139 Ų139124.2 Ų124.285%0.85371%0.71SS**  trans59110.3149.415.30000118.7S208T206-S208 PolarHBondContact O-N 2.99Å
207E22.4Very low28.4Very low194 Ų194125.4 Ų125.491%0.90771%0.714SS**  trans-26.8115.4157.2-64.4172.5156.500112.8
208S24.4Very low27.9Very low104 Ų104128.5 Ų128.573%0.72774%0.74SS**  trans-136.6107.4157.8-75.90000106.8T206 V210T206-S208 PolarHBondContact O-N 2.99Å; S208-V210 PolarHBondContact O-N 3.16Å
209Q22.2Very low28.3Very low203 Ų203123.2 Ų123.295%0.94972%0.721SS**  trans-52.3106173.9-68.7175.3-9.800109
210V25.8Very low29.2Very low128 Ų128123.2 Ų123.278%0.77672%0.718SS**  trans-128121.1165.2-176.10000107.3S208S208-V210 PolarHBondContact O-N 3.16Å
211T22.8Very low30.3Very low130 Ų130118 Ų11880%0.79870%0.699SS**  trans-62.2133.5-169.1460000113E213T211-E213 PolarHBondContact O-N 3.14Å
212N23.1Very low31.6Very low144 Ų144120.8 Ų120.877%0.7771%0.709SS**  trans-42.6113.6171.6-82.9-21.6000113.9
213E22.5Very low33Very low188 Ų188118.3 Ų118.388%0.87969%0.691SS**  trans-111114.2147.4-72.9-164.1169.300108.5T211 S215T211-E213 PolarHBondContact O-N 3.14Å; E213-S215 PolarHBondContact O-N 2.88Å
214H24.8Very low34.3Very low162 Ų162112.8 Ų112.875%0.7565%0.651SS**  trans-65.3110.5-172.8-69.744000110.8
215S25.8Very low35.2Very low90 Ų90115.5 Ų115.563%0.62964%0.639SS**  trans-11871.3160.978.30000110.2E213 H217E213-S215 PolarHBondContact O-N 2.88Å; S215-H217 PolarHBondContact O-N 2.87Å
216S31.7Very low35.7Very low102 Ų102115.4 Ų115.471%0.71363%0.626SS**  trans-70119.4168.246.20000109.3A218S216-A218 PolarHBondContact O-N 3.32Å
217H36Very low36.2Very low130 Ų130118.9 Ų118.960%0.60263%0.629SS**  trans-69.591.7158.6-88.1-77.5000106.3S215 F219S215-H217 PolarHBondContact O-N 2.87Å; H217-F219 PolarHBondContact O-N 3.2Å
218A39.4Very low36.7Very low84 Ų84117.3 Ų117.369%0.69462%0.622SS**  trans-57.5125.8-178.900000110S216 D220S216-A218 PolarHBondContact O-N 3.32Å; A218-D220 PolarHBondContact O-N 3.36Å; A218-D220 VanDerWaalsContact O-N 3.08Å
219F50.1Low36.8Very low27 Ų27122.1 Ų122.112%0.11863%0.63CS.*  trans-50.3117.7165-84.4-109.7000108.2H217 D221 Y334 W339 E342 H343H217-F219 PolarHBondContact O-N 3.2Å; F219-D221 PolarHBondContact O-N 3.26Å; F219-Y334 HydrophobicContact CD1-CD1 4.16Å; F219-Y334 HydrophobicContact CD1-CD2 4.16Å; F219-Y334 AromaticContact CD1-CE1 3.68Å; F219-Y334 HydrophobicContact CD1-CE1 3.68Å; F219-Y334 AromaticContact CD1-CE2 3.72Å; F219-Y334 HydrophobicContact CD1-CE2 3.72Å; F219-Y334 HydrophobicContact CD1-CG 4.34Å; F219-Y334 AromaticContact CD1-CZ 3.42Å; F219-Y334 VanDerWaalsContact CD1-CZ 3.42Å; F219-Y334 AromaticContact CE1-CD1 3.5Å; F219-Y334 HydrophobicContact CE1-CD1 3.5Å; F219-Y334 VanDerWaalsContact CE1-CD1 3.5Å; F219-Y334 AromaticContact CE1-CD2 3.22Å; F219-Y334 HydrophobicContact CE1-CD2 3.22Å; F219-Y334 AromaticContact CE1-CE1 3.49Å; F219-Y334 HydrophobicContact CE1-CE1 3.49Å; F219-Y334 VanDerWaalsContact CE1-CE1 3.49Å; F219-Y334 AromaticContact CE1-CE2 3.25Å; F219-Y334 HydrophobicContact CE1-CE2 3.25Å; F219-Y334 AromaticContact CE1-CG 3.33Å; F219-Y334 HydrophobicContact CE1-CG 3.33Å; F219-Y334 AromaticContact CE1-CZ 3.34Å; F219-Y334 HydrophobicContact CE2-CD1 4.3Å; F219-Y334 HydrophobicContact CG-CE1 4.41Å; F219-Y334 AromaticContact CZ-CD1 3.58Å; F219-Y334 HydrophobicContact CZ-CD1 3.58Å; F219-Y334 AromaticContact CZ-CD2 3.81Å; F219-Y334 HydrophobicContact CZ-CD2 3.81Å; F219-Y334 AromaticContact CZ-CE1 3.99Å; F219-Y334 HydrophobicContact CZ-CE1 3.99Å; F219-Y334 HydrophobicContact CZ-CE2 4.23Å; F219-Y334 AromaticContact CZ-CG 3.44Å; F219-Y334 HydrophobicContact CZ-CG 3.44Å; F219-Y334 VanDerWaalsContact CZ-CG 3.44Å; F219-W339 AromaticContact CD1-CD1 3.29Å; F219-W339 HydrophobicContact CD1-CG 4.3Å; F219-W339 AromaticContact CD1-NE1 3.83Å; F219-W339 HydrophobicContact CE1-CB 3.91Å; F219-W339 AromaticContact CE1-CD1 3.28Å; F219-W339 AromaticContact CE1-CG 3.93Å; F219-W339 HydrophobicContact CE1-CG 3.93Å; F219-W339 HydrophobicContact CZ-CB 4.44Å; F219-E342 WeakPolarHBondContact CD2-OE2 3.48Å; F219-E342 HydrophobicContact CE2-CG 4.34Å; F219-E342 WeakPolarHBondContact CE2-OE1 3.46Å; F219-E342 WeakPolarHBondContact CE2-OE2 3.14Å; F219-H343 AromaticContact CG-CE1 3.8Å
220D56.8Low37.2Very low79 Ų79119 Ų11942%0.42262%0.618SS.*  trans-76.878.6177.2-166.91.8000109.5A218 K222 V223A218-D220 PolarHBondContact O-N 3.36Å; A218-D220 VanDerWaalsContact O-N 3.08Å; D220-K222 PolarHBondContact O-N 3.4Å; D220-K222 VanDerWaalsContact OD1-CB 3.29Å; D220-K222 WeakPolarHBondContact OD1-CB 3.38Å; D220-K222 PolarHBondContact OD1-N 3.17Å; D220-V223 HydrophobicContact CB-CG2 4.39Å; D220-V223 PolarHBondContact O-N 2.79Å; D220-V223 WeakPolarHBondContact OD2-CG2 3.27Å
221D57.9Low37.2Very low69 Ų69119.4 Ų119.437%0.36962%0.621SS.*Hα-helixtrans-51.8-24.5175.6-78.5-15.8000112.3F219 V223 L224 K225 H343F219-D221 PolarHBondContact O-N 3.26Å; D221-V223 PolarHBondContact O-N 3.44Å; D221-L224 PolarHBondContact O-N 3.47Å; D221-K225 PolarHBondContact O-N 3.48Å; D221-H343 IonicContact OD1-NE2 3.58Å
222K55.3Low37.5Very low182 Ų182116.3 Ų116.379%0.79161%0.614SS**Hα-helixtrans-65.6-28.4178.9-60.6-178.8178.8175.90112.3D220D220-K222 PolarHBondContact O-N 3.4Å; D220-K222 VanDerWaalsContact OD1-CB 3.29Å; D220-K222 WeakPolarHBondContact OD1-CB 3.38Å; D220-K222 PolarHBondContact OD1-N 3.17Å
223V54.4Low37.8Very low57 Ų57114.3 Ų114.335%0.34561%0.612SS.*Hα-helixtrans-84.3-25.8177.6-174.90000111.5D220 D221 K225 R332D220-V223 HydrophobicContact CB-CG2 4.39Å; D220-V223 PolarHBondContact O-N 2.79Å; D220-V223 WeakPolarHBondContact OD2-CG2 3.27Å; D221-V223 PolarHBondContact O-N 3.44Å; V223-K225 VanDerWaalsContact C-N 3.34Å; V223-K225 PolarHBondContact O-N 2.77Å; V223-R332 VanDerWaalsContact CG1-NH2 3.28Å
224L54.2Low38.1Very low5 Ų5110 Ų1103%0.02660%0.602CS.*Hα-helixtrans-77.5-15.2-179.2-67.7169.1000113.8D221 P226 M351 W355 F383D221-L224 PolarHBondContact O-N 3.47Å; L224-P226 WeakPolarHBondContact O-CD 3.12Å; L224-M351 HydrophobicContact CB-SD 4.46Å; L224-W355 HydrophobicContact CB-CZ2 4.23Å; L224-W355 HydrophobicContact CD1-CH2 4.37Å; L224-W355 HydrophobicContact CD1-CZ2 4.11Å; L224-W355 HydrophobicContact CD2-CZ2 4Å; L224-W355 HydrophobicContact CG-CZ2 4.34Å; L224-F383 HydrophobicContact CD2-CD1 4.08Å; L224-F383 HydrophobicContact CD2-CG 4.5Å
225K42.5Very low38.3Very low145 Ų145109.1 Ų109.163%0.6360%0.603SS**SBendtrans-72.8121.2178.3-70.9-175.4-177.3-169.90111.5D221 V223 K227D221-K225 PolarHBondContact O-N 3.48Å; V223-K225 VanDerWaalsContact C-N 3.34Å; V223-K225 PolarHBondContact O-N 2.77Å; K225-K227 PolarHBondContact O-N 2.9Å
226P34.1Very low38.5Very low61 Ų61109.9 Ų109.940%0.39660%0.604SS.*  trans-61.6136.7176.8-19.831.1000111.3L224 H228 D354L224-P226 WeakPolarHBondContact O-CD 3.12Å; P226-H228 PolarHBondContact O-N 3.4Å; P226-D354 HydrophobicContact CG-CB 4.32Å; P226-D354 VanDerWaalsContact CG-OD2 3.28Å; P226-D354 WeakPolarHBondContact CG-OD2 3.45Å
227K33.7Very low38.3Very low213 Ų213112.2 Ų112.293%0.92661%0.608SS**SBendtrans-73.222.6174.9-74.4-173.5176.9176.60114.1K225 K229K225-K227 PolarHBondContact O-N 2.9Å; K227-K229 PolarHBondContact O-N 3.34Å
228H33.9Very low38Very low161 Ų161110.2 Ų110.275%0.74561%0.609SS**  trans-90.996.9171.8-84.6-79.6000109.9P226 I230P226-H228 PolarHBondContact O-N 3.4Å; H228-I230 HydrophobicContact CB-CG1 4.44Å; H228-I230 PolarHBondContact O-N 3.07Å
229K25.8Very low37.3Very low205 Ų205111 Ų11189%0.89161%0.605SS**  trans-70.975.7171.8-157-179.4-168.4-177.30108.8K227K227-K229 PolarHBondContact O-N 3.34Å
230I30.7Very low36.3Very low137 Ų137117.1 Ų117.170%0.70364%0.638SS**  trans-85.9111.7168.9-59178.3000106.4H228 G232H228-I230 HydrophobicContact CB-CG1 4.44Å; H228-I230 PolarHBondContact O-N 3.07Å; I230-G232 PolarHBondContact O-N 3.38Å; I230-G232 VanDerWaalsContact O-N 3.07Å
231T26.3Very low34.9Very low137 Ų137117.8 Ų117.884%0.8465%0.654SS**  trans-68.697.7171.5480000108.1
232G27.7Very low33.5Very low64 Ų64122.8 Ų122.866%0.6668%0.68SS**  trans-159.2135.2178.900000110.1I230 S234I230-G232 PolarHBondContact O-N 3.38Å; I230-G232 VanDerWaalsContact O-N 3.07Å; G232-S234 PolarHBondContact O-N 3.13Å
233S30Very low32.1Very low103 Ų103123.6 Ų123.672%0.7268%0.684SS**  trans-47.8128.7-169-172.20000114.2N235S233-N235 VanDerWaalsContact C-N 3.35Å; S233-N235 PolarHBondContact O-N 3.39Å
234S29.8Very low30.7Very low96 Ų96130.2 Ų130.267%0.67171%0.711SS**  trans-62.288.2173.2176.30000110.7G232 T236G232-S234 PolarHBondContact O-N 3.13Å; S234-T236 PolarHBondContact O-N 3.03Å
235N28.6Very low29.3Very low145 Ų145134.8 Ų134.878%0.77574%0.743SS**  trans-7869.9169.8-71-13.3000109.4S233 L237S233-N235 VanDerWaalsContact C-N 3.35Å; S233-N235 PolarHBondContact O-N 3.39Å; N235-L237 PolarHBondContact O-N 2.83Å
236T30.3Very low28.6Very low106 Ų106133.9 Ų133.965%0.6575%0.75SS**  trans-66.2103163.9490000107.3S234 S238S234-T236 PolarHBondContact O-N 3.03Å; T236-S238 PolarHBondContact O-N 3.45Å
237L27.8Very low28Very low151 Ų151139 Ų13979%0.79177%0.773SS**  trans-57.991165.1-100.4147.9000107.7N235 T239N235-L237 PolarHBondContact O-N 2.83Å; L237-T239 PolarHBondContact O-N 3.29Å
238S27.9Very low27.5Very low88 Ų88137.4 Ų137.462%0.61577%0.771SS**  trans-68.1118.3-179.8430000108.6T236 L240T236-S238 PolarHBondContact O-N 3.45Å; S238-L240 PolarHBondContact O-N 3.11Å
239T26.5Very low27.1Very low99 Ų99138.2 Ų138.261%0.60778%0.775SS**  trans-53.3100.1167.2-46.40000109L237 A241 K346L237-T239 PolarHBondContact O-N 3.29Å; T239-A241 PolarHBondContact O-N 3.09Å; T239-K346 WeakPolarHBondContact OG1-CE 3.46Å; T239-K346 PolarHBondContact OG1-NZ 3.15Å
240L27.4Very low27Very low157 Ų157137.2 Ų137.282%0.82278%0.776SS**  trans-76.8118.9170.9-78.7169.5000108.8S238 L242S238-L240 PolarHBondContact O-N 3.11Å; L240-L242 PolarHBondContact O-N 2.98Å
241A27.8Very low26.6Very low92 Ų92139.9 Ų139.976%0.7678%0.782SS**  trans-50.6122.4179.300000112T239 K243T239-A241 PolarHBondContact O-N 3.09Å; A241-K243 PolarHBondContact O-N 2.75Å
242L28Very low26.6Very low175 Ų175144.1 Ų144.192%0.91678%0.783SS**  trans-59.3101.7167.3-83.9148.7000109.3L240 Q244L240-L242 PolarHBondContact O-N 2.98Å; L242-Q244 PolarHBondContact O-N 3.48Å
243K26.2Very low26.5Very low198 Ų198146.2 Ų146.286%0.86179%0.785SS**  trans-69.3112.6161.5-88.2178.4173178.20108.1A241 S245A241-K243 PolarHBondContact O-N 2.75Å; K243-S245 PolarHBondContact O-N 2.83Å
244Q25.4Very low26.2Very low196 Ų196148.7 Ų148.792%0.91679%0.79SS**  trans-58.4118.3165.1-73.6170.2-21.800109.6L242L242-Q244 PolarHBondContact O-N 3.48Å
245S24.3Very low26.2Very low102 Ų102149.5 Ų149.571%0.71379%0.79SS**  trans-157.5120.815057.10000112.1K243K243-S245 PolarHBondContact O-N 2.83Å
246T27.2Very low26.1Very low125 Ų125149.9 Ų149.977%0.76779%0.792SS**  trans68.58215230.70000119.3M248T246-M248 PolarHBondContact O-N 3.08Å
247L23Very low26.2Very low169 Ų169152.9 Ų152.989%0.88580%0.799SS**  17.698.7119-166.283.3000115.7
248M23.1Very low26.2Very low180 Ų180153.6 Ų153.689%0.88780%0.804SS**  trans-123121.2154.1-81.9-71.7-179.200108.8T246 M250T246-M248 PolarHBondContact O-N 3.08Å; M248-M250 PolarHBondContact O-N 3.24Å
249H24.5Very low26.4Very low178 Ų178153.1 Ų153.182%0.82481%0.805SS**  trans-62.5105.4-174.8-171.680.2000110.8
250M24.7Very low26.5Very low183 Ų183154.6 Ų154.690%0.90182%0.819SS**  trans-119.7122.5169.6-87.8-91.814900109M248M248-M250 PolarHBondContact O-N 3.24Å
251K23Very low26.5Very low193 Ų193151.7 Ų151.784%0.83981%0.813SS**PPolyproline II helixtrans-67.6121-165.4-160.3171.8-178.3-179.90110.6
252R24.3Very low26.5Very low227 Ų227153.9 Ų153.986%0.85781%0.811SS**PPolyproline II helixtrans-59.8130.7171.4-97.6178.1173.2163.2-3.7109.6
253P26.3Very low26.5Very low108 Ų108150.8 Ų150.870%0.70180%0.804SS**PPolyproline II helixtrans-78.8129156.918-4.1000108.4V255P253-V255 PolarHBondContact O-N 2.93Å
254D24.2Very low26.3Very low155 Ų155148.8 Ų148.883%0.82980%0.802SS**  trans-60.8112.2171.5-58.7-52.4000108.8
255V30.6Very low26.3Very low112 Ų112147.7 Ų147.768%0.67980%0.797SS**  trans-129.8105.6164.1-1700000105.7P253 E257P253-V255 PolarHBondContact O-N 2.93Å; V255-E257 HydrophobicContact CG1-CG 4.36Å; V255-E257 PolarHBondContact O-N 2.97Å; V255-E257 VanDerWaalsContact O-N 3.12Å
256D25.7Very low26.5Very low153 Ų153148.2 Ų148.282%0.81879%0.791SS**  trans-64.1101.4172.6-60.5-53000108.7
257E32.7Very low26.3Very low169 Ų169148.1 Ų148.179%0.7979%0.79SS**  trans-113.179.5166.3-75-161.4167.500109.5V255 A259V255-E257 HydrophobicContact CG1-CG 4.36Å; V255-E257 PolarHBondContact O-N 2.97Å; V255-E257 VanDerWaalsContact O-N 3.12Å; E257-A259 PolarHBondContact O-N 3.14Å
258D26.7Very low26.5Very low166 Ų166147.4 Ų147.489%0.88878%0.78SS**  trans-70.794.6156.7-71.3-33000108.4
259A31.9Very low26.6Very low79 Ų79146.9 Ų146.965%0.65378%0.775SS**  trans-141.873.9166.600000110.1E257 S261E257-A259 PolarHBondContact O-N 3.14Å; A259-S261 PolarHBondContact O-N 3.18Å
260S29.3Very low26.7Very low129 Ų129140.9 Ų140.990%0.90276%0.761SS**  trans-62.5100159620000108.1
261S28.5Very low27.1Very low97 Ų97136.1 Ų136.168%0.67875%0.746SS**  trans-121.9101.6172.4-174.10000109.4A259 S263A259-S261 PolarHBondContact O-N 3.18Å; S261-S263 PolarHBondContact O-N 3.49Å
262D26.8Very low27.4Very low137 Ų137136.3 Ų136.373%0.73375%0.75SS**  trans-43.3115.9174.8-157.110.4000112.2L264D262-L264 PolarHBondContact O-N 3.2Å
263S27Very low27.4Very low110 Ų110133.6 Ų133.677%0.76974%0.744SS**  trans-79.794.5-179.739.90000109.9S261 E265S261-S263 PolarHBondContact O-N 3.49Å; S263-E265 PolarHBondContact O-N 3.39Å
264L23.6Very low27.4Very low157 Ų157138.3 Ų138.382%0.82275%0.754SS**  trans-94.592.8169.3-78.8166000109.7D262D262-L264 PolarHBondContact O-N 3.2Å
265E25.2Very low27.5Very low172 Ų172134.5 Ų134.580%0.80475%0.751SS**  trans-76.6137.5173-171.9173.6177.300110.6S263 V267S263-E265 PolarHBondContact O-N 3.39Å; E265-V267 PolarHBondContact O-N 2.91Å
266I28.1Very low27.3Very low113 Ų113136.8 Ų136.858%0.57976%0.76SS**  trans-81.4105178.7-62.8173.2000107.9F268I266-F268 HydrophobicContact CG2-CD2 4.1Å; I266-F268 HydrophobicContact CG2-CE1 4.49Å; I266-F268 HydrophobicContact CG2-CE2 3.67Å; I266-F268 HydrophobicContact CG2-CZ 3.89Å; I266-F268 PolarHBondContact O-N 3.23Å
267V22.8Very low27.2Very low123 Ų123139 Ų13975%0.74577%0.765SS**  trans-83.6112.2172.21800000109.2E265 E269E265-V267 PolarHBondContact O-N 2.91Å; V267-E269 PolarHBondContact O-N 2.59Å
268F28Very low27Very low154 Ų154136.5 Ų136.568%0.67576%0.763SS**  trans-80.9106.6165.2-68.4-85.6000108.7I266 G270I266-F268 HydrophobicContact CG2-CD2 4.1Å; I266-F268 HydrophobicContact CG2-CE1 4.49Å; I266-F268 HydrophobicContact CG2-CE2 3.67Å; I266-F268 HydrophobicContact CG2-CZ 3.89Å; I266-F268 PolarHBondContact O-N 3.23Å; F268-G270 PolarHBondContact O-N 2.97Å
269E23.7Very low26.9Very low170 Ų170133.9 Ų133.979%0.79476%0.758SS**PPolyproline II helixtrans-73.9127.7179.5-158.3174.7-158.100111.3V267V267-E269 PolarHBondContact O-N 2.59Å
270G28.4Very low26.5Very low51 Ų51138.5 Ų138.553%0.52677%0.77SS.*PPolyproline II helixtrans-70.6144.2-169.700000114.5F268F268-G270 PolarHBondContact O-N 2.97Å
271S31.6Very low26.4Very low83 Ų83136 Ų13658%0.5876%0.757SS**PPolyproline II helixtrans-80.7146.517128.50000111.7
272E29.2Very low26.3Very low198 Ų198137.4 Ų137.493%0.92577%0.767SS**PPolyproline II helixtrans-56139.3-162.5-64.1171.314800115.2
273K24.3Very low26.1Very low169 Ų169142.1 Ų142.174%0.73577%0.774SS**PPolyproline II helixtrans-73.7135.8172.1-81.4-177.7177.4170.30111.9
274K26.5Very low26Very low208 Ų208140.4 Ų140.490%0.90478%0.775SS**  trans64.3125.3142.2-73.7-173.6172.9-174.20119.4
275G26.1Very low26.1Very low75 Ų75143.3 Ų143.377%0.77378%0.776SS**  trans178.7120.6149.800000110.2
276D26.8Very low26.1Very low160 Ų160138.4 Ų138.486%0.85677%0.772SS**  trans-50.9152.2-174.6-63.7-56.7000114.3P278D276-P278 VanDerWaalsContact O-CD 3.28Å; D276-P278 WeakPolarHBondContact O-CD 3.35Å
277Q23.3Very low26Very low199 Ų199139.8 Ų139.893%0.9378%0.78SS**  trans-42.9133.7176.4-68.4-176.7-7.900112.6
278P29.1Very low26.2Very low116 Ų116141.1 Ų141.175%0.75378%0.781SS**  trans-126.1139.8135.724.4-5.9000111D276D276-P278 VanDerWaalsContact O-CD 3.28Å; D276-P278 WeakPolarHBondContact O-CD 3.35Å
279S23.9Very low26Very low112 Ų112138.8 Ų138.878%0.78378%0.784SS**  trans-33.3128.3171.150.50000115.4A281S279-A281 PolarHBondContact O-N 3.2Å
280I24.9Very low26.2Very low175 Ų175138.8 Ų138.890%0.89778%0.781SS**  trans5.3101.6146.5-56.7169.7000114.7
281A25.5Very low26.1Very low77 Ų77144.2 Ų144.264%0.63680%0.799SS**  trans-169.5106.7140.700000109.4S279 R283S279-A281 PolarHBondContact O-N 3.2Å; A281-R283 PolarHBondContact O-N 2.85Å
282S26.7Very low25.9Very low127 Ų127145.8 Ų145.889%0.88880%0.799SS**  trans30.278.7146.857.80000116.6
283R23.9Very low25.7Very low235 Ų235142.4 Ų142.489%0.88779%0.788SS**  trans-11099.6166.4-153.9166.3176.3157.9-3.1108.5A281 Y285A281-R283 PolarHBondContact O-N 2.85Å; R283-Y285 PolarHBondContact O-N 2.59Å
284G24.1Very low26.1Very low75 Ų75140.3 Ų140.377%0.77378%0.784SS**  trans-56.3132.1-175.900000112.3G286G284-G286 PolarHBondContact O-N 2.75Å; G284-G286 VanDerWaalsContact O-N 3.08Å
285Y26.6Very low26.2Very low217 Ų217133.9 Ų133.985%0.85177%0.765SS**  trans-68.2102.5173.6-59.6-83.4000108.6R283 L287R283-Y285 PolarHBondContact O-N 2.59Å; Y285-L287 PolarHBondContact O-N 3.18Å
286G24Very low26.3Very low70 Ų70138.4 Ų138.472%0.72276%0.764SS**  trans-68.4108.9174.700000110.2G284 I288G284-G286 PolarHBondContact O-N 2.75Å; G284-G286 VanDerWaalsContact O-N 3.08Å; G286-I288 PolarHBondContact O-N 2.86Å; G286-I288 VanDerWaalsContact O-N 3.08Å
287L27.5Very low26.2Very low141 Ų141138.7 Ų138.774%0.73876%0.757SS**  trans-58.9107.4169.4-88.7137.8000109.3Y285 S289Y285-L287 PolarHBondContact O-N 3.18Å; L287-S289 PolarHBondContact O-N 3.07Å
288I25.4Very low26.3Very low151 Ų151140 Ų14077%0.77475%0.754SS**  trans-70.386.6170.1-62.7170.3000107.3G286 K290G286-I288 PolarHBondContact O-N 2.86Å; G286-I288 VanDerWaalsContact O-N 3.08Å; I288-K290 HydrophobicContact CG2-CG 4.27Å; I288-K290 PolarHBondContact O-N 2.79Å
289S25.1Very low26.2Very low106 Ų106143 Ų14374%0.74176%0.756SS**  trans-78.492.6167.8-171.70000108.3L287L287-S289 PolarHBondContact O-N 3.07Å
290K27.8Very low26.3Very low169 Ų169146.8 Ų146.874%0.73575%0.752SS**  trans-105.8118.5159.3-78.6-174.3176.1178.60107I288 I292I288-K290 HydrophobicContact CG2-CG 4.27Å; I288-K290 PolarHBondContact O-N 2.79Å; K290-I292 WeakPolarHBondContact O-CG1 3.18Å; K290-I292 PolarHBondContact O-N 3.34Å
291N25.8Very low26.2Very low166 Ų166149.8 Ų149.889%0.88875%0.752SS**  trans-47.7104.5178.2-71-44000111
292I26.5Very low26.3Very low116 Ų116151.8 Ų151.860%0.59575%0.749SS**  trans-93.1119.9174.6-69.4155.1000107.5T199 K290 L294T199-I292 HydrophobicContact CG2-CD1 4.22Å; T199-I292 HydrophobicContact CG2-CG2 4.27Å; K290-I292 WeakPolarHBondContact O-CG1 3.18Å; K290-I292 PolarHBondContact O-N 3.34Å; I292-L294 PolarHBondContact O-N 3.18Å
293D26.3Very low26.2Very low127 Ų127152.1 Ų152.168%0.67975%0.746SS**  trans-68.4114.5176.9-179.610.4000110.5S295D293-S295 VanDerWaalsContact CG-OG 3.25Å; D293-S295 PolarHBondContact O-N 3.33Å; D293-S295 VanDerWaalsContact OD1-CB 3.26Å; D293-S295 WeakPolarHBondContact OD1-CB 3.49Å; D293-S295 PolarHBondContact OD1-N 3.44Å; D293-S295 PolarHBondContact OD1-OG 3.38Å; D293-S295 PolarHBondContact OD2-OG 2.96Å
294L32.6Very low26.2Very low125 Ų125149.1 Ų149.165%0.65474%0.739SS**G310 helixtrans-80.410.3-178.3-65.8169000113.4I292 F296I292-L294 PolarHBondContact O-N 3.18Å; L294-F296 PolarHBondContact O-N 3.24Å; L294-F296 VanDerWaalsContact O-N 3.09Å
295S27.3Very low26.3Very low72 Ų72155 Ų15550%0.50375%0.747SS.*G310 helixtrans-64.2-14.1-175.963.70000114.6D293 F297D293-S295 VanDerWaalsContact CG-OG 3.25Å; D293-S295 PolarHBondContact O-N 3.33Å; D293-S295 VanDerWaalsContact OD1-CB 3.26Å; D293-S295 WeakPolarHBondContact OD1-CB 3.49Å; D293-S295 PolarHBondContact OD1-N 3.44Å; D293-S295 PolarHBondContact OD1-OG 3.38Å; D293-S295 PolarHBondContact OD2-OG 2.96Å; S295-F297 VanDerWaalsContact C-N 3.32Å; S295-F297 PolarHBondContact O-N 3.37Å
296F28.8Very low26.3Very low171 Ų171150 Ų15075%0.7574%0.743SS**G310 helixtrans-70.8-18.6-178-128.9-93.7000115.1L294L294-F296 PolarHBondContact O-N 3.24Å; L294-F296 VanDerWaalsContact O-N 3.09Å
297F25.5Very low26.3Very low166 Ų166156.2 Ų156.273%0.72875%0.75SS**G310 helixtrans-107.57.7-177.8-79.4-77.4000115.7S295 F299S295-F297 VanDerWaalsContact C-N 3.32Å; S295-F297 PolarHBondContact O-N 3.37Å; F297-F299 PolarHBondContact O-N 3.49Å
298R25.7Very low26.2Very low226 Ų226154.6 Ų154.685%0.85375%0.751SS**  trans-75.486.4161.8-82.2-173.4-173.7155.84.5108.7R300R298-R300 PolarHBondContact O-N 3.25Å
299F27.4Very low26.3Very low180 Ų180156.8 Ų156.879%0.78976%0.755SS**  trans-43.1107.8163.2-118.3-94000108F297 R301F297-F299 PolarHBondContact O-N 3.49Å; F299-R301 PolarHBondContact O-N 2.93Å
300R24.6Very low26.3Very low190 Ų190162 Ų16272%0.71776%0.764SS**  trans-64.3106-170.2-169175.2178.1-176.74.9107.2R298 Q302R298-R300 PolarHBondContact O-N 3.25Å; R300-Q302 HydrophobicContact CB-CG 4.38Å; R300-Q302 HydrophobicContact CG-CG 3.79Å; R300-Q302 PolarHBondContact O-N 3.01Å
301R23.7Very low26.2Very low238 Ų238160.9 Ų160.990%0.89877%0.766SS**  trans-59.682.9163.6-85.3-178.3172156.2-1.7107.8F299 T303F299-R301 PolarHBondContact O-N 2.93Å; R301-T303 VanDerWaalsContact C-N 3.3Å; R301-T303 PolarHBondContact O-N 3.28Å; R301-T303 VanDerWaalsContact O-N 3.07Å
302Q26.3Very low26.4Very low120 Ų120162.9 Ų162.956%0.56177%0.767SS**  trans-78.688.7169.2-71.3-162.86.900107.6R300 K304R300-Q302 HydrophobicContact CB-CG 4.38Å; R300-Q302 HydrophobicContact CG-CG 3.79Å; R300-Q302 PolarHBondContact O-N 3.01Å; Q302-K304 VanDerWaalsContact C-N 3.3Å; Q302-K304 PolarHBondContact O-N 3.43Å
303T25.2Very low26.4Very low134 Ų134166 Ų16682%0.82278%0.779SS**  trans-65.693.9158.648.80000107.8R301R301-T303 VanDerWaalsContact C-N 3.3Å; R301-T303 PolarHBondContact O-N 3.28Å; R301-T303 VanDerWaalsContact O-N 3.07Å
304K24.8Very low26.6Very low172 Ų172168 Ų16875%0.74879%0.788SS**  trans-117107.6160.8-82.5-169.9175.5-178.60108.8Q302 S306Q302-K304 VanDerWaalsContact C-N 3.3Å; Q302-K304 PolarHBondContact O-N 3.43Å; K304-S306 PolarHBondContact O-N 2.93Å
305Q26Very low26.3Very low199 Ų199170.6 Ų170.693%0.9380%0.797SS**  trans-50.7115.7162.9-69.7169.3-17.700109.2
306S25.3Very low26.7Very low112 Ų112172.5 Ų172.578%0.78381%0.806SS**  trans-161.8135150.614.70000108.9K304K304-S306 PolarHBondContact O-N 2.93Å
307K24.7Very low27Very low200 Ų200168.2 Ų168.287%0.8779%0.794SS**  trans-71.6148.9-167-67.1163.9172.4174.40111.3
308S25.2Very low27.8Very low107 Ų107164.9 Ų164.975%0.74879%0.789SS**  trans5799.5155.271.10000118.5
309K27.4Very low29Very low196 Ų196158.8 Ų158.885%0.85278%0.776SS**  178.5135.4108.2-96.2171.6179.1176.10107.7N311K309-N311 PolarHBondContact O-N 3.36Å
310K25.6Very low30.4Very low215 Ų215150.3 Ų150.394%0.93574%0.74SS**  trans-58.584.8-172.7-70.9172.6171.2176.40112.1
311N26.5Very low32.8Very low147 Ų147146.2 Ų146.279%0.78673%0.732SS**  trans-92.9117158.5-81.6-6.1000107.2K309 E313K309-N311 PolarHBondContact O-N 3.36Å; N311-E313 PolarHBondContact O-N 3.14Å
312K28.7Very low35.8Very low208 Ų208136 Ų13690%0.90470%0.697SS**  trans-56.1100.5173.9-72.9174.8173.9177.90107.5L314K312-L314 PolarHBondContact O-N 3.35Å; K312-L314 VanDerWaalsContact O-N 3.17Å
313E27.1Very low38.8Very low181 Ų181131.8 Ų131.885%0.84668%0.676SS**  trans-56.7119.2172.1-77.3177.7155.900108N311 Q315N311-E313 PolarHBondContact O-N 3.14Å; E313-Q315 VanDerWaalsContact C-N 3.28Å; E313-Q315 PolarHBondContact O-N 3.35Å
314L31.3Very low42Very low168 Ų168125.5 Ų125.588%0.8864%0.638SS**  trans-63.991.7174.3-156.777.8000106.9K312 T316K312-L314 PolarHBondContact O-N 3.35Å; K312-L314 VanDerWaalsContact O-N 3.17Å; L314-T316 PolarHBondContact O-N 2.95Å
315Q26.5Very low45.2Very low180 Ų180117.4 Ų117.484%0.84160%0.602SS**  trans-60.9109.2175.5-72.7179.3-2.500108E313 V317E313-Q315 VanDerWaalsContact C-N 3.28Å; E313-Q315 PolarHBondContact O-N 3.35Å; Q315-V317 PolarHBondContact O-N 3.47Å
316T34.4Very low48.5Very low113 Ų113108.4 Ų108.469%0.69356%0.561SS**PPolyproline II helixtrans-63.2118.5169.848.50000107.6L314 P318L314-T316 PolarHBondContact O-N 2.95Å; T316-P318 WeakPolarHBondContact O-CD 3.45Å
317V36Very low51.8Low81 Ų81104 Ų10449%0.49153%0.527SS..PPolyproline II helixtrans-64122.5-177.4-176.60000107.6Q315 V319Q315-V317 PolarHBondContact O-N 3.47Å; V317-V319 PolarHBondContact O-N 3.04Å; V317-V319 VanDerWaalsContact O-N 3.14Å
318P41.1Very low55.2Low95 Ų9595.8 Ų95.862%0.61749%0.493SS*.PPolyproline II helixtrans-58.1124.1171.615.4-19.3000107.7N147 T316 G320N147-P318 PolarHBondContact ND2-O 2.83Å; T316-P318 WeakPolarHBondContact O-CD 3.45Å; P318-G320 PolarHBondContact O-N 2.77Å
319V51.8Low58.6Low98 Ų9892.8 Ų92.859%0.59447%0.467SS*.EExtended strand (participates in β ladder)trans-61.2132.4175-175.90000106.8P144 V317P144-V319 HydrophobicContact CB-CG1 3.49Å; P144-V319 VanDerWaalsContact CB-CG1 3.49Å; P144-V319 HydrophobicContact CG-CG1 4.32Å; V317-V319 PolarHBondContact O-N 3.04Å; V317-V319 VanDerWaalsContact O-N 3.14Å
320G56.1Low61.9Low2 Ų284.1 Ų84.12%0.02143%0.43CS..EExtended strand (participates in β ladder)trans-64.6145.4-178.600000111.3L145 N147 P318 V322L145-G320 VanDerWaalsContact O-CA 3.31Å; L145-G320 WeakPolarHBondContact O-CA 3.37Å; L145-G320 PolarHBondContact O-N 3.48Å; N147-G320 WeakPolarHBondContact OD1-CA 3.39Å; P318-G320 PolarHBondContact O-N 2.77Å; G320-V322 PolarHBondContact O-N 3.22Å; G320-V322 VanDerWaalsContact O-N 3.14Å
321D75.1Confident65.2Low104 Ų10474.5 Ų74.556%0.55639%0.39SS*.EExtended strand (participates in β ladder)trans-72.60.6178-61.5-42.6000112.2P181P181-D321 WeakPolarHBondContact CD-O 3.49Å
322V87.1Confident68.5Low25 Ų2569.7 Ų69.715%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-101.7131.6178.7-170.70000110.5L145 F178 E179 E180 G320L145-V322 HydrophobicContact CB-CB 4.42Å; L145-V322 WeakPolarHBondContact CB-O 3.48Å; L145-V322 HydrophobicContact CD1-CB 4.2Å; L145-V322 HydrophobicContact CD1-CG1 3.67Å; L145-V322 PolarHBondContact N-O 3.01Å; F178-V322 HydrophobicContact CB-CG1 4.36Å; F178-V322 HydrophobicContact CD1-CG1 4.27Å; E179-V322 CarbonylContact O-C 3.59Å; E179-V322 WeakPolarHBondContact O-CA 3.44Å; E180-V322 HydrophobicContact CB-CG2 4.29Å; E180-V322 HydrophobicContact CG-CG2 3.95Å; G320-V322 PolarHBondContact O-N 3.22Å; G320-V322 VanDerWaalsContact O-N 3.14Å
323F89Confident71.3Confident30 Ų3065.7 Ų65.713%0.13235%0.345CS..EExtended strand (participates in β ladder)trans-113.9137.4175.2-62.9-88.3000110.4R142 I143 P144 F178 E179 P181 F325R142-F323 HydrophobicContact CG-CB 4.29Å; R142-F323 HydrophobicContact CG-CD1 4.01Å; R142-F323 HydrophobicContact CG-CG 4.44Å; R142-F323 VanDerWaalsContact NE-CD1 3.25Å; R142-F323 VanDerWaalsContact NH2-CE2 3.27Å; I143-F323 CarbonylContact O-C 3.59Å; I143-F323 WeakPolarHBondContact O-CA 3.33Å; P144-F323 HydrophobicContact CB-CD1 4.13Å; P144-F323 HydrophobicContact CB-CE1 3.84Å; F178-F323 CarbonylContact C-O 3.55Å; F178-F323 VanDerWaalsContact CA-O 3.28Å; F178-F323 WeakPolarHBondContact CA-O 3.31Å; E179-F323 PolarHBondContact N-O 3.38Å; E179-F323 PolarHBondContact O-N 2.84Å; P181-F323 HydrophobicContact CG-CD2 3.91Å; P181-F323 HydrophobicContact CG-CE2 3.79Å; F323-F325 HydrophobicContact CB-CD2 4.26Å; F323-F325 HydrophobicContact CB-CE2 3.73Å
324L91.5Very high74.4Confident2 Ų258.7 Ų58.71%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-96.4130.1166.3169.872.5000108.8R142 I143 L145 V155 V159 F178 I326R142-L324 CarbonylContact C-O 3.58Å; R142-L324 WeakPolarHBondContact CA-O 3.49Å; I143-L324 HydrophobicContact CB-CB 4.4Å; I143-L324 HydrophobicContact CD1-CD2 4.27Å; I143-L324 PolarHBondContact N-O 2.77Å; I143-L324 PolarHBondContact O-N 3.32Å; L145-L324 HydrophobicContact CD1-CB 4.34Å; L145-L324 HydrophobicContact CD2-CB 3.84Å; L145-L324 HydrophobicContact CG-CB 4.14Å; V155-L324 HydrophobicContact CG1-CD2 3.53Å; V159-L324 HydrophobicContact CG2-CD1 4.46Å; V159-L324 HydrophobicContact CG2-CD2 3.45Å; V159-L324 VanDerWaalsContact CG2-CD2 3.45Å; V159-L324 HydrophobicContact CG2-CG 4.49Å; F178-L324 HydrophobicContact CD1-CB 4.06Å; F178-L324 HydrophobicContact CD1-CD1 3.99Å; F178-L324 HydrophobicContact CE1-CB 3.96Å; F178-L324 HydrophobicContact CE1-CD1 3.6Å; F178-L324 HydrophobicContact CE1-CG 4.3Å; F178-L324 HydrophobicContact CZ-CD1 4.1Å; L324-I326 HydrophobicContact CD2-CD1 4.13Å; L324-I326 HydrophobicContact CD2-CG1 4.15Å; L324-I326 HydrophobicContact CG-CG1 4.11Å
325F93.9Very high77.4Confident2 Ų251.5 Ų51.51%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-107.7135.3171.8-72.6-103000109.6Y108 I140 K141 R142 S176 W177 E179 F194 F323Y108-F325 AromaticContact CD1-CE1 3.83Å; Y108-F325 HydrophobicContact CD1-CE1 3.83Å; Y108-F325 HydrophobicContact CD2-CD1 4.25Å; Y108-F325 HydrophobicContact CD2-CE1 4.24Å; Y108-F325 HydrophobicContact CE1-CE1 4.46Å; Y108-F325 HydrophobicContact CG-CD1 4.05Å; Y108-F325 AromaticContact CG-CE1 3.65Å; Y108-F325 HydrophobicContact CG-CE1 3.65Å; Y108-F325 HydrophobicContact CG-CZ 4.45Å; I140-F325 HydrophobicContact CG2-CD1 3.8Å; K141-F325 CarbonylContact O-C 3.48Å; K141-F325 WeakPolarHBondContact O-CA 3.36Å; R142-F325 HydrophobicContact CB-CD1 4.1Å; R142-F325 HydrophobicContact CB-CE1 3.86Å; R142-F325 HydrophobicContact CB-CZ 4.26Å; R142-F325 HydrophobicContact CG-CD1 4.31Å; R142-F325 HydrophobicContact CG-CE1 3.78Å; R142-F325 HydrophobicContact CG-CE2 4.05Å; R142-F325 HydrophobicContact CG-CZ 3.64Å; S176-F325 CarbonylContact C-O 3.58Å; S176-F325 WeakPolarHBondContact CA-O 3.33Å; S176-F325 WeakPolarHBondContact CB-O 3.25Å; W177-F325 HydrophobicContact CD2-CB 3.81Å; W177-F325 VanDerWaalsContact CE2-CB 3.44Å; W177-F325 AromaticContact CE2-CG 3.9Å; W177-F325 HydrophobicContact CE3-CB 4.24Å; W177-F325 HydrophobicContact CG-CB 4.35Å; W177-F325 HydrophobicContact CH2-CB 4.02Å; W177-F325 HydrophobicContact CZ2-CB 3.57Å; W177-F325 HydrophobicContact CZ2-CD1 4.08Å; W177-F325 AromaticContact CZ2-CG 3.95Å; W177-F325 HydrophobicContact CZ2-CG 3.95Å; W177-F325 HydrophobicContact CZ3-CB 4.34Å; W177-F325 PolarHBondContact N-O 3.1Å; W177-F325 AromaticContact NE1-CD2 3.97Å; W177-F325 AromaticContact NE1-CG 3.88Å; W177-F325 PolarHBondContact O-N 3.42Å; E179-F325 HydrophobicContact CB-CD2 4.38Å; E179-F325 HydrophobicContact CB-CE2 3.91Å; E179-F325 HydrophobicContact CG-CD2 3.96Å; E179-F325 HydrophobicContact CG-CE2 3.76Å; F194-F325 HydrophobicContact CE1-CE1 4.22Å; F194-F325 HydrophobicContact CE1-CZ 4.34Å; F194-F325 HydrophobicContact CZ-CE1 4.24Å; F194-F325 HydrophobicContact CZ-CZ 4.09Å; F323-F325 HydrophobicContact CB-CD2 4.26Å; F323-F325 HydrophobicContact CB-CE2 3.73Å
326I94Very high80.8Confident11 Ų1143 Ų436%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-125.1120.5176.4-50.1176.5000108.2I140 K141 I143 V159 L162 Y173 L324 M328I140-I326 WeakPolarHBondContact CA-O 2.95Å; K141-I326 HydrophobicContact CB-CB 4.37Å; K141-I326 PolarHBondContact N-O 2.99Å; K141-I326 PolarHBondContact O-N 2.92Å; I143-I326 HydrophobicContact CD1-CD1 3.75Å; V159-I326 HydrophobicContact CG2-CD1 3.8Å; V159-I326 HydrophobicContact CG2-CG1 4.33Å; L162-I326 HydrophobicContact CD2-CG2 4.32Å; Y173-I326 HydrophobicContact CD2-CG2 3.78Å; Y173-I326 HydrophobicContact CE2-CG2 3.97Å; L324-I326 HydrophobicContact CD2-CD1 4.13Å; L324-I326 HydrophobicContact CD2-CG1 4.15Å; L324-I326 HydrophobicContact CG-CG1 4.11Å; I326-M328 HydrophobicContact CG2-CG 3.71Å; I326-M328 HydrophobicContact CG2-SD 4.14Å
327Q95.9Very high83.6Confident18 Ų1839.1 Ų39.18%0.08421%0.209CC..EExtended strand (participates in β ladder)trans-89.2122.3173.1-179.2-173.84.600110.1F112 Y138 I140 Y174 N175 W177F112-Q327 HydrophobicContact CZ-CG 4.45Å; Y138-Q327 HydrophobicContact CD1-CG 3.93Å; Y138-Q327 VanDerWaalsContact CE1-NE2 3.35Å; Y138-Q327 HydrophobicContact CG-CG 4.01Å; I140-Q327 HydrophobicContact CD1-CB 3.68Å; I140-Q327 HydrophobicContact CD1-CG 3.63Å; Y174-Q327 HydrophobicContact CD2-CG 4.13Å; Y174-Q327 HydrophobicContact CG-CG 4.36Å; Y174-Q327 PolarHBondContact N-O 2.9Å; N175-Q327 PolarHBondContact O-N 3.34Å; W177-Q327 HydrophobicContact CZ3-CB 4.18Å
328M95.5Very high86.4Confident28 Ų2838 Ų3814%0.13820%0.2CC..EExtended strand (participates in β ladder)trans-132162.9-175.1-54.2176.8-57.500111.7A139 K141 V171 R172 I326 L330A139-M328 HydrophobicContact CB-CE 4.37Å; A139-M328 PolarHBondContact N-O 2.87Å; A139-M328 PolarHBondContact O-N 2.97Å; K141-M328 HydrophobicContact CB-CE 3.67Å; K141-M328 HydrophobicContact CD-CE 4.31Å; V171-M328 HydrophobicContact CG1-CB 4.11Å; R172-M328 CarbonylContact O-C 3.49Å; R172-M328 VanDerWaalsContact O-CA 3.32Å; R172-M328 WeakPolarHBondContact O-CA 3.47Å; I326-M328 HydrophobicContact CG2-CG 3.71Å; I326-M328 HydrophobicContact CG2-SD 4.14Å; M328-L330 PolarHBondContact O-N 2.77Å
329Q95.8Very high89Confident44 Ų4433.6 Ų33.621%0.20617%0.171CC..EExtended strand (participates in β ladder)trans-57.4129.6171.6175.9172.723.500110.9V171 R172 Y174 C331 K390V171-Q329 HydrophobicContact CG1-CB 4.21Å; R172-Q329 HydrophobicContact CB-CB 4.05Å; R172-Q329 PolarHBondContact O-N 3.47Å; Y174-Q329 HydrophobicContact CE2-CB 4.19Å; Q329-C331 PolarHBondContact O-N 2.69Å; Q329-K390 VanDerWaalsContact OE1-NZ 3.12Å
330L96.3Very high91Very high14 Ų1429.5 Ų29.57%0.07315%0.146CC..PPolyproline II helixtrans-70.6123168.7-176.664.7000109.7L118 E128 K137 A139 M328L118-L330 HydrophobicContact CD1-CD1 3.61Å; E128-L330 HydrophobicContact CG-CD1 4.28Å; E128-L330 HydrophobicContact CG-CD2 4.06Å; K137-L330 HydrophobicContact CB-CD2 3.72Å; K137-L330 HydrophobicContact CD-CD2 4.2Å; A139-L330 HydrophobicContact CB-CD1 4.34Å; M328-L330 PolarHBondContact O-N 2.77Å
331C96.2Very high92.8Very high14 Ų1431.1 Ų31.110%0.09516%0.163CC..EExtended strand (participates in β ladder)trans-100.8173.9170.1-64.90000110Q329 F382 F383Q329-C331 PolarHBondContact O-N 2.69Å; C331-F382 HydrophobicContact CB-CB 3.73Å; C331-F382 HydrophobicContact CB-CG 4.32Å; C331-F383 CarbonylContact C-O 3.58Å; C331-F383 WeakPolarHBondContact CA-O 3.38Å; C331-F383 WeakPolarHBondContact CB-O 3.23Å
332R94.5Very high93.6Very high46 Ų4632.2 Ų32.217%0.17416%0.164CC..EExtended strand (participates in β ladder)trans-60.8159.5168.6-66.4-175.3177-132-8.7110.2V223 Y334 F383 S384 L385V223-R332 VanDerWaalsContact CG1-NH2 3.28Å; R332-Y334 HydrophobicContact CB-CD1 4.39Å; R332-Y334 HydrophobicContact CB-CE1 4.24Å; R332-Y334 HydrophobicContact CB-CE2 4.43Å; R332-Y334 WeakPolarHBondContact CD-OH 3.4Å; R332-Y334 PolarHBondContact NH1-OH 3.01Å; R332-Y334 PolarHBondContact O-N 3.27Å; R332-F383 HydrophobicContact CB-CB 4.39Å; R332-F383 WeakPolarHBondContact CB-O 3.29Å; R332-F383 HydrophobicContact CG-CB 4.41Å; R332-F383 WeakPolarHBondContact CG-O 3.32Å; R332-F383 PolarHBondContact N-O 2.77Å; R332-S384 WeakPolarHBondContact CD-O 3.2Å; R332-S384 WeakPolarHBondContact CG-O 3.31Å; R332-S384 PolarHBondContact NE-O 3.27Å; R332-S384 VanDerWaalsContact NE-O 3.15Å; R332-L385 HydrophobicContact CG-CD2 4.23Å; R332-L385 PolarHBondContact NE-O 3.2Å; R332-L385 PolarHBondContact NH2-O 3.19Å
333E89.1Confident93.8Very high124 Ų12432.9 Ų32.958%0.57917%0.166SC*.EExtended strand (participates in β ladder)trans-72.1-20.8-173.7-55.2-172.7-165.400113.4R116R116-E333 IonicContact CZ-OE1 3.71Å; R116-E333 IonicContact CZ-OE2 2.92Å; R116-E333 IonicContact NE-OE1 2.73Å; R116-E333 IonicContact NH1-OE1 3.46Å; R116-E333 PolarHBondContact NH1-OE1 3.39Å; R116-E333 IonicContact NH1-OE2 3.58Å; R116-E333 PolarHBondContact NH1-OE2 3.14Å; R116-E333 VanDerWaalsContact NH2-CG 3.3Å; R116-E333 IonicContact NH2-OE1 2.77Å; R116-E333 PolarHBondContact NH2-OE1 3.39Å; R116-E333 IonicContact NH2-OE2 3.33Å
334Y91.4Very high93.9Very high34 Ų3434 Ų3413%0.13318%0.175CC..EExtended strand (participates in β ladder)trans-101.1142.1177.556.5-103.7000111.4F219 R332 F383F219-Y334 HydrophobicContact CD1-CD1 4.16Å; F219-Y334 HydrophobicContact CD1-CD2 4.16Å; F219-Y334 AromaticContact CD1-CE1 3.68Å; F219-Y334 HydrophobicContact CD1-CE1 3.68Å; F219-Y334 AromaticContact CD1-CE2 3.72Å; F219-Y334 HydrophobicContact CD1-CE2 3.72Å; F219-Y334 HydrophobicContact CD1-CG 4.34Å; F219-Y334 AromaticContact CD1-CZ 3.42Å; F219-Y334 VanDerWaalsContact CD1-CZ 3.42Å; F219-Y334 AromaticContact CE1-CD1 3.5Å; F219-Y334 HydrophobicContact CE1-CD1 3.5Å; F219-Y334 VanDerWaalsContact CE1-CD1 3.5Å; F219-Y334 AromaticContact CE1-CD2 3.22Å; F219-Y334 HydrophobicContact CE1-CD2 3.22Å; F219-Y334 AromaticContact CE1-CE1 3.49Å; F219-Y334 HydrophobicContact CE1-CE1 3.49Å; F219-Y334 VanDerWaalsContact CE1-CE1 3.49Å; F219-Y334 AromaticContact CE1-CE2 3.25Å; F219-Y334 HydrophobicContact CE1-CE2 3.25Å; F219-Y334 AromaticContact CE1-CG 3.33Å; F219-Y334 HydrophobicContact CE1-CG 3.33Å; F219-Y334 AromaticContact CE1-CZ 3.34Å; F219-Y334 HydrophobicContact CE2-CD1 4.3Å; F219-Y334 HydrophobicContact CG-CE1 4.41Å; F219-Y334 AromaticContact CZ-CD1 3.58Å; F219-Y334 HydrophobicContact CZ-CD1 3.58Å; F219-Y334 AromaticContact CZ-CD2 3.81Å; F219-Y334 HydrophobicContact CZ-CD2 3.81Å; F219-Y334 AromaticContact CZ-CE1 3.99Å; F219-Y334 HydrophobicContact CZ-CE1 3.99Å; F219-Y334 HydrophobicContact CZ-CE2 4.23Å; F219-Y334 AromaticContact CZ-CG 3.44Å; F219-Y334 HydrophobicContact CZ-CG 3.44Å; F219-Y334 VanDerWaalsContact CZ-CG 3.44Å; R332-Y334 HydrophobicContact CB-CD1 4.39Å; R332-Y334 HydrophobicContact CB-CE1 4.24Å; R332-Y334 HydrophobicContact CB-CE2 4.43Å; R332-Y334 WeakPolarHBondContact CD-OH 3.4Å; R332-Y334 PolarHBondContact NH1-OH 3.01Å; R332-Y334 PolarHBondContact O-N 3.27Å; Y334-F383 AromaticContact CD2-CD2 3.57Å; Y334-F383 HydrophobicContact CD2-CD2 3.57Å; Y334-F383 HydrophobicContact CD2-CE2 4.04Å; Y334-F383 HydrophobicContact CE2-CB 4.2Å; Y334-F383 AromaticContact CE2-CD2 3.39Å; Y334-F383 HydrophobicContact CE2-CD2 3.39Å; Y334-F383 AromaticContact CE2-CE2 3.98Å; Y334-F383 HydrophobicContact CE2-CE2 3.98Å; Y334-F383 AromaticContact CE2-CG 3.98Å; Y334-F383 HydrophobicContact CE2-CG 3.98Å
335T95.1Very high93.7Very high16 Ų1641.5 Ų41.510%0.09821%0.21CC..EExtended strand (participates in β ladder)trans-87.7175.9170.966.50000110.6M337 D338 W339 T379 I381 F382T335-M337 PolarHBondContact O-N 2.83Å; T335-M337 WeakPolarHBondContact OG1-CB 3.19Å; T335-M337 PolarHBondContact OG1-N 3.03Å; T335-D338 WeakPolarHBondContact CB-OD2 2.96Å; T335-D338 PolarHBondContact N-OD2 3.12Å; T335-D338 PolarHBondContact O-N 3.37Å; T335-D338 VanDerWaalsContact OG1-CG 3.28Å; T335-D338 PolarHBondContact OG1-N 3.16Å; T335-D338 PolarHBondContact OG1-OD2 3.18Å; T335-W339 PolarHBondContact O-N 3.25Å; T335-T379 WeakPolarHBondContact CG2-O 3.48Å; T335-I381 CarbonylContact C-O 3.55Å; T335-I381 WeakPolarHBondContact CA-O 3.38Å; T335-I381 WeakPolarHBondContact CB-O 3.42Å; T335-F382 HydrophobicContact CG2-CD1 3.85Å; T335-F382 HydrophobicContact CG2-CE1 3.63Å; T335-F382 HydrophobicContact CG2-CZ 4.42Å
336L96.3Very high93.4Very high1 Ų149.1 Ų49.11%0.00524%0.243CC..Hα-helixtrans-61.6-35.4168.8179.663.4000110.9D338 W339 L340 W355 I359 P378 I381 F383 I454 L458L336-D338 VanDerWaalsContact C-N 3.35Å; L336-D338 PolarHBondContact O-N 3.01Å; L336-W339 PolarHBondContact O-N 3.39Å; L336-L340 HydrophobicContact CD1-CD1 4.36Å; L336-L340 HydrophobicContact CD1-CG 4.15Å; L336-L340 HydrophobicContact CG-CD1 3.94Å; L336-L340 HydrophobicContact CG-CG 4.22Å; L336-L340 WeakPolarHBondContact O-CB 3.03Å; L336-L340 WeakPolarHBondContact O-CG 3.38Å; L336-L340 PolarHBondContact O-N 3.23Å; L336-W355 HydrophobicContact CD1-CE3 3.93Å; L336-W355 HydrophobicContact CD1-CZ3 3.98Å; L336-I359 HydrophobicContact CD2-CD1 4.25Å; L336-P378 HydrophobicContact CB-CB 4.2Å; L336-P378 WeakPolarHBondContact CB-O 3.15Å; L336-P378 HydrophobicContact CD2-CB 4.24Å; L336-P378 HydrophobicContact CG-CB 4.15Å; L336-P378 PolarHBondContact N-O 3.41Å; L336-I381 HydrophobicContact CB-CB 3.87Å; L336-I381 HydrophobicContact CB-CG2 3.88Å; L336-I381 HydrophobicContact CD2-CB 4.21Å; L336-I381 HydrophobicContact CD2-CD1 3.89Å; L336-I381 HydrophobicContact CD2-CG2 4.05Å; L336-I381 PolarHBondContact N-O 3.47Å; L336-F383 HydrophobicContact CB-CE2 4.38Å; L336-F383 HydrophobicContact CB-CZ 4.47Å; L336-F383 HydrophobicContact CD1-CE2 4.45Å; L336-F383 HydrophobicContact CD1-CZ 3.88Å; L336-I454 HydrophobicContact CD2-CG2 4.22Å; L336-L458 HydrophobicContact CD1-CD2 3.77Å; L336-L458 HydrophobicContact CD2-CD2 4.15Å; L336-L458 HydrophobicContact CG-CD2 4.49Å
337M94.6Very high93.3Very high33 Ų3350.4 Ų50.416%0.16325%0.247CC..Hα-helixtrans-59.6-46.4175.8-173.869.9-166.900111.7T335 L340 G341 P378 T379T335-M337 PolarHBondContact O-N 2.83Å; T335-M337 WeakPolarHBondContact OG1-CB 3.19Å; T335-M337 PolarHBondContact OG1-N 3.03Å; M337-L340 PolarHBondContact O-N 2.74Å; M337-G341 PolarHBondContact O-N 2.68Å; M337-P378 HydrophobicContact CB-CB 3.92Å; M337-P378 PolarHBondContact N-O 2.85Å; M337-P378 HydrophobicContact SD-CB 4.3Å; M337-T379 HydrophobicContact CB-CG2 3.68Å; M337-T379 HydrophobicContact CG-CG2 3.83Å
338D94.2Very high93.2Very high56 Ų5654 Ų5430%0.29927%0.267SS..Hα-helixtrans-65.7-44.5-179.3-53.3-47.8000110.2T335 L336 L340 G341 E342T335-D338 WeakPolarHBondContact CB-OD2 2.96Å; T335-D338 PolarHBondContact N-OD2 3.12Å; T335-D338 PolarHBondContact O-N 3.37Å; T335-D338 VanDerWaalsContact OG1-CG 3.28Å; T335-D338 PolarHBondContact OG1-N 3.16Å; T335-D338 PolarHBondContact OG1-OD2 3.18Å; L336-D338 VanDerWaalsContact C-N 3.35Å; L336-D338 PolarHBondContact O-N 3.01Å; D338-L340 VanDerWaalsContact C-N 3.34Å; D338-L340 PolarHBondContact O-N 3.31Å; D338-G341 PolarHBondContact O-N 3.36Å; D338-G341 VanDerWaalsContact O-N 3.13Å; D338-E342 PolarHBondContact O-N 3.09Å; D338-E342 VanDerWaalsContact O-N 3.09Å
339W95.5Very high93Very high3 Ų354.7 Ų54.71%0.01127%0.271CS..Hα-helixtrans-57.7-46.3175.1-170.8100.6000111.6F219 T335 L336 G341 E342 H343 R347 M351 M352 W355 F383F219-W339 AromaticContact CD1-CD1 3.29Å; F219-W339 HydrophobicContact CD1-CG 4.3Å; F219-W339 AromaticContact CD1-NE1 3.83Å; F219-W339 HydrophobicContact CE1-CB 3.91Å; F219-W339 AromaticContact CE1-CD1 3.28Å; F219-W339 AromaticContact CE1-CG 3.93Å; F219-W339 HydrophobicContact CE1-CG 3.93Å; F219-W339 HydrophobicContact CZ-CB 4.44Å; T335-W339 PolarHBondContact O-N 3.25Å; L336-W339 PolarHBondContact O-N 3.39Å; W339-G341 VanDerWaalsContact C-N 3.28Å; W339-G341 PolarHBondContact O-N 3.32Å; W339-E342 PolarHBondContact O-N 2.89Å; W339-H343 AromaticContact CD1-CE1 3.71Å; W339-H343 AromaticContact CD1-ND1 3.9Å; W339-H343 HydrophobicContact CD2-CB 4.29Å; W339-H343 AromaticContact CD2-CG 3.87Å; W339-H343 AromaticContact CD2-ND1 3.54Å; W339-H343 AromaticContact CE2-CD2 3.69Å; W339-H343 AromaticContact CE2-CE1 3.51Å; W339-H343 AromaticContact CE2-CG 3.5Å; W339-H343 VanDerWaalsContact CE2-CG 3.5Å; W339-H343 AromaticContact CE2-ND1 3.37Å; W339-H343 AromaticContact CE2-NE2 3.69Å; W339-H343 HydrophobicContact CE3-CB 4.06Å; W339-H343 AromaticContact CG-ND1 3.82Å; W339-H343 HydrophobicContact CH2-CB 3.68Å; W339-H343 AromaticContact CH2-CD2 4Å; W339-H343 AromaticContact CH2-CG 3.75Å; W339-H343 HydrophobicContact CZ2-CB 3.93Å; W339-H343 AromaticContact CZ2-CD2 3.39Å; W339-H343 WeakPolarHBondContact CZ2-CD2 3.4Å; W339-H343 AromaticContact CZ2-CG 3.43Å; W339-H343 VanDerWaalsContact CZ2-CG 3.43Å; W339-H343 AromaticContact CZ2-ND1 3.83Å; W339-H343 AromaticContact CZ2-NE2 3.79Å; W339-H343 HydrophobicContact CZ3-CB 3.76Å; W339-H343 AromaticContact NE1-CE1 3.23Å; W339-H343 PolarHBondContact NE1-CE1 3.37Å; W339-H343 AromaticContact NE1-ND1 3.54Å; W339-H343 AromaticContact NE1-NE2 3.54Å; W339-H343 WeakPolarHBondContact O-CB 3.34Å; W339-H343 PolarHBondContact O-N 3.49Å; W339-H343 PolarHBondContact O-ND1 3.1Å; W339-R347 HydrophobicContact CH2-CG 4.08Å; W339-R347 HydrophobicContact CZ3-CG 4.28Å; W339-M351 HydrophobicContact CH2-CE 3.91Å; W339-M351 HydrophobicContact CZ2-CE 3.55Å; W339-M352 HydrophobicContact CH2-CE 3.33Å; W339-M352 HydrophobicContact CH2-SD 4.11Å; W339-M352 HydrophobicContact CZ2-CE 4.09Å; W339-M352 HydrophobicContact CZ3-CE 3.64Å; W339-M352 HydrophobicContact CZ3-SD 3.87Å; W339-W355 AromaticContact CD1-CH2 3.83Å; W339-W355 AromaticContact CD2-CH2 3.65Å; W339-W355 HydrophobicContact CD2-CH2 3.65Å; W339-W355 AromaticContact CD2-CZ3 3.62Å; W339-W355 HydrophobicContact CD2-CZ3 3.62Å; W339-W355 AromaticContact CE2-CH2 3.44Å; W339-W355 VanDerWaalsContact CE2-CH2 3.44Å; W339-W355 AromaticContact CE2-CZ3 3.84Å; W339-W355 HydrophobicContact CE3-CH2 4.16Å; W339-W355 AromaticContact CE3-CZ3 3.67Å; W339-W355 HydrophobicContact CE3-CZ3 3.67Å; W339-W355 AromaticContact CG-CH2 3.99Å; W339-W355 HydrophobicContact CG-CH2 3.99Å; W339-W355 HydrophobicContact CG-CZ3 4.13Å; W339-W355 HydrophobicContact CH2-CH2 4.33Å; W339-W355 HydrophobicContact CH2-CZ3 4.2Å; W339-W355 AromaticContact CZ2-CH2 3.84Å; W339-W355 HydrophobicContact CZ2-CH2 3.84Å; W339-W355 HydrophobicContact CZ2-CZ3 4.15Å; W339-W355 HydrophobicContact CZ3-CH2 4.47Å; W339-W355 AromaticContact CZ3-CZ3 3.96Å; W339-W355 HydrophobicContact CZ3-CZ3 3.96Å; W339-W355 AromaticContact NE1-CH2 3.61Å; W339-F383 HydrophobicContact CB-CE2 4.09Å
340L95.1Very high92.9Very high12 Ų1255.6 Ų55.66%0.06328%0.283CS..Hα-helixtrans-62.7-34.7178.4-71.3171.1000112.4L336 M337 D338 R347 P378 E457 L458L336-L340 HydrophobicContact CD1-CD1 4.36Å; L336-L340 HydrophobicContact CD1-CG 4.15Å; L336-L340 HydrophobicContact CG-CD1 3.94Å; L336-L340 HydrophobicContact CG-CG 4.22Å; L336-L340 WeakPolarHBondContact O-CB 3.03Å; L336-L340 WeakPolarHBondContact O-CG 3.38Å; L336-L340 PolarHBondContact O-N 3.23Å; M337-L340 PolarHBondContact O-N 2.74Å; D338-L340 VanDerWaalsContact C-N 3.34Å; D338-L340 PolarHBondContact O-N 3.31Å; L340-R347 VanDerWaalsContact CD2-CZ 3.45Å; L340-R347 VanDerWaalsContact CD2-NH1 3.28Å; L340-R347 PolarHBondContact O-NH2 3.04Å; L340-P378 HydrophobicContact CD1-CB 4.18Å; L340-P378 HydrophobicContact CD1-CG 4.29Å; L340-E457 HydrophobicContact CD1-CB 4.23Å; L340-E457 WeakPolarHBondContact CD2-O 3.42Å; L340-L458 HydrophobicContact CD2-CD2 4.4Å
341G92.8Very high92.8Very high37 Ų3756 Ų5638%0.38128%0.284SS..Hα-helixtrans-69.9-32.3177.700000113.8M337 D338 W339 T344M337-G341 PolarHBondContact O-N 2.68Å; D338-G341 PolarHBondContact O-N 3.36Å; D338-G341 VanDerWaalsContact O-N 3.13Å; W339-G341 VanDerWaalsContact C-N 3.28Å; W339-G341 PolarHBondContact O-N 3.32Å; G341-T344 WeakPolarHBondContact O-CG2 3.45Å
342E91.4Very high92.8Very high126 Ų12655.4 Ų55.459%0.58928%0.28SS*.Hα-helixtrans-86.4-24.7176.9-69-170.5-153.400113.3F219 D338 W339 T344F219-E342 WeakPolarHBondContact CD2-OE2 3.48Å; F219-E342 HydrophobicContact CE2-CG 4.34Å; F219-E342 WeakPolarHBondContact CE2-OE1 3.46Å; F219-E342 WeakPolarHBondContact CE2-OE2 3.14Å; D338-E342 PolarHBondContact O-N 3.09Å; D338-E342 VanDerWaalsContact O-N 3.09Å; W339-E342 PolarHBondContact O-N 2.89Å; E342-T344 PolarHBondContact O-N 3.4Å
343H92.2Very high92.8Very high39 Ų3953.2 Ų53.218%0.18127%0.272CS..  trans-103.368.7-177.8-62.173.4000110.7F219 D221 W339 R347F219-H343 AromaticContact CG-CE1 3.8Å; D221-H343 IonicContact OD1-NE2 3.58Å; W339-H343 AromaticContact CD1-CE1 3.71Å; W339-H343 AromaticContact CD1-ND1 3.9Å; W339-H343 HydrophobicContact CD2-CB 4.29Å; W339-H343 AromaticContact CD2-CG 3.87Å; W339-H343 AromaticContact CD2-ND1 3.54Å; W339-H343 AromaticContact CE2-CD2 3.69Å; W339-H343 AromaticContact CE2-CE1 3.51Å; W339-H343 AromaticContact CE2-CG 3.5Å; W339-H343 VanDerWaalsContact CE2-CG 3.5Å; W339-H343 AromaticContact CE2-ND1 3.37Å; W339-H343 AromaticContact CE2-NE2 3.69Å; W339-H343 HydrophobicContact CE3-CB 4.06Å; W339-H343 AromaticContact CG-ND1 3.82Å; W339-H343 HydrophobicContact CH2-CB 3.68Å; W339-H343 AromaticContact CH2-CD2 4Å; W339-H343 AromaticContact CH2-CG 3.75Å; W339-H343 HydrophobicContact CZ2-CB 3.93Å; W339-H343 AromaticContact CZ2-CD2 3.39Å; W339-H343 WeakPolarHBondContact CZ2-CD2 3.4Å; W339-H343 AromaticContact CZ2-CG 3.43Å; W339-H343 VanDerWaalsContact CZ2-CG 3.43Å; W339-H343 AromaticContact CZ2-ND1 3.83Å; W339-H343 AromaticContact CZ2-NE2 3.79Å; W339-H343 HydrophobicContact CZ3-CB 3.76Å; W339-H343 AromaticContact NE1-CE1 3.23Å; W339-H343 PolarHBondContact NE1-CE1 3.37Å; W339-H343 AromaticContact NE1-ND1 3.54Å; W339-H343 AromaticContact NE1-NE2 3.54Å; W339-H343 WeakPolarHBondContact O-CB 3.34Å; W339-H343 PolarHBondContact O-N 3.49Å; W339-H343 PolarHBondContact O-ND1 3.1Å; H343-R347 VanDerWaalsContact O-CZ 3.27Å; H343-R347 PolarHBondContact O-NE 3.45Å; H343-R347 PolarHBondContact O-NH2 3.31Å
344T90.8Very high93.1Very high54 Ų5449.2 Ų49.233%0.33125%0.254SS..  trans-89.8-1.1-176.261.80000114.4G341 E342 P461 F462G341-T344 WeakPolarHBondContact O-CG2 3.45Å; E342-T344 PolarHBondContact O-N 3.4Å; T344-P461 WeakPolarHBondContact O-CB 3.36Å; T344-F462 VanDerWaalsContact CB-O 3.27Å; T344-F462 WeakPolarHBondContact CB-O 3.43Å; T344-F462 WeakPolarHBondContact CG2-O 3.09Å
345E87.9Confident93.4Very high160 Ų16047.6 Ų47.675%0.74825%0.248SC*.SBendtrans-103.1-129178.5-59.5-171.117500111.9P461E345-P461 WeakPolarHBondContact O-CB 3.29Å; E345-P461 WeakPolarHBondContact O-CG 3.49Å
346K86.8Confident93.6Very high162 Ų16246.9 Ų46.970%0.70424%0.244SC*.  trans-81.2129.4-177.6-63.3-173.4-176.4-174.90110.7T239T239-K346 WeakPolarHBondContact OG1-CE 3.46Å; T239-K346 PolarHBondContact OG1-NZ 3.15Å
347R92.3Very high93.6Very high37 Ų3750.6 Ų50.614%0.1426%0.26CS..  trans-111.1139.7173.1-61.6176.5-175.6162.9-1109.8W339 L340 H343 L349 M352 E457 L458 I460W339-R347 HydrophobicContact CH2-CG 4.08Å; W339-R347 HydrophobicContact CZ3-CG 4.28Å; L340-R347 VanDerWaalsContact CD2-CZ 3.45Å; L340-R347 VanDerWaalsContact CD2-NH1 3.28Å; L340-R347 PolarHBondContact O-NH2 3.04Å; H343-R347 VanDerWaalsContact O-CZ 3.27Å; H343-R347 PolarHBondContact O-NE 3.45Å; H343-R347 PolarHBondContact O-NH2 3.31Å; R347-L349 PolarHBondContact O-N 3.36Å; R347-M352 HydrophobicContact CB-CG 4.06Å; R347-M352 HydrophobicContact CB-SD 4.31Å; R347-E457 PolarHBondContact NH1-O 3.13Å; R347-L458 WeakPolarHBondContact CD-O 3.45Å; R347-L458 PolarHBondContact NH1-O 3.17Å; R347-I460 PolarHBondContact NH1-O 3.24Å; R347-I460 VanDerWaalsContact NH1-O 3.13Å
348D92.7Very high93.8Very high93 Ų9350.5 Ų50.550%0.49726%0.259SS..  trans-71.5112.8171.8179.47.6000109.3S350 M351 M352D348-S350 PolarHBondContact O-N 3.49Å; D348-S350 WeakPolarHBondContact OD1-CB 3.44Å; D348-S350 PolarHBondContact OD1-N 2.87Å; D348-M351 HydrophobicContact CB-CB 4.1Å; D348-M351 PolarHBondContact O-N 2.83Å; D348-M352 WeakPolarHBondContact O-CG 3.49Å; D348-M352 PolarHBondContact O-N 2.9Å
349L92.2Very high94Very high44 Ų4447.9 Ų47.923%0.2325%0.245CC..Hα-helixtrans-59.1-34.9-179-177.861.6000111.7R347 M352 L353 V459R347-L349 PolarHBondContact O-N 3.36Å; L349-M352 PolarHBondContact O-N 3.08Å; L349-L353 HydrophobicContact CD1-CD1 4.18Å; L349-L353 HydrophobicContact CD1-CG 4.16Å; L349-L353 HydrophobicContact CG-CD1 3.89Å; L349-L353 HydrophobicContact CG-CG 4.33Å; L349-L353 WeakPolarHBondContact O-CB 3.41Å; L349-L353 VanDerWaalsContact O-CG 3.29Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.05Å; L349-V459 HydrophobicContact CD1-CG1 4.25Å; L349-V459 HydrophobicContact CD1-CG2 4.01Å
350S93.1Very high94.1Very high63 Ų6347.7 Ų47.744%0.44124%0.244SC..Hα-helixtrans-64.1-44.7179.3-173.40000111.1D348 L353 D354D348-S350 PolarHBondContact O-N 3.49Å; D348-S350 WeakPolarHBondContact OD1-CB 3.44Å; D348-S350 PolarHBondContact OD1-N 2.87Å; S350-L353 PolarHBondContact O-N 3.49Å; S350-D354 PolarHBondContact O-N 3.32Å
351M94.2Very high94.3Very high21 Ų2150.5 Ų50.510%0.10326%0.257CS..Hα-helixtrans-64.3-42.1175.5-172.11747600111.9L224 W339 D348 L353 D354 W355L224-M351 HydrophobicContact CB-SD 4.46Å; W339-M351 HydrophobicContact CH2-CE 3.91Å; W339-M351 HydrophobicContact CZ2-CE 3.55Å; D348-M351 HydrophobicContact CB-CB 4.1Å; D348-M351 PolarHBondContact O-N 2.83Å; M351-L353 VanDerWaalsContact C-N 3.33Å; M351-L353 PolarHBondContact O-N 2.87Å; M351-D354 PolarHBondContact O-N 3.49Å; M351-W355 HydrophobicContact CE-CH2 4.08Å; M351-W355 HydrophobicContact CE-CZ2 4.09Å; M351-W355 HydrophobicContact CG-CZ2 4.14Å; M351-W355 PolarHBondContact O-N 3.07Å; M351-W355 HydrophobicContact SD-CZ2 4.03Å
352M96.1Very high94.5Very high2 Ų248.8 Ų48.81%0.0124%0.239CC..Hα-helixtrans-62.1-41.4177.5-66.7-54.699.400111.9W339 R347 D348 L349 W355 F356 L458W339-M352 HydrophobicContact CH2-CE 3.33Å; W339-M352 HydrophobicContact CH2-SD 4.11Å; W339-M352 HydrophobicContact CZ2-CE 4.09Å; W339-M352 HydrophobicContact CZ3-CE 3.64Å; W339-M352 HydrophobicContact CZ3-SD 3.87Å; R347-M352 HydrophobicContact CB-CG 4.06Å; R347-M352 HydrophobicContact CB-SD 4.31Å; D348-M352 WeakPolarHBondContact O-CG 3.49Å; D348-M352 PolarHBondContact O-N 2.9Å; L349-M352 PolarHBondContact O-N 3.08Å; M352-W355 HydrophobicContact CE-CD2 4.45Å; M352-W355 HydrophobicContact CE-CE3 3.84Å; M352-W355 HydrophobicContact CE-CH2 4.26Å; M352-W355 HydrophobicContact CE-CZ3 3.73Å; M352-W355 PolarHBondContact O-N 2.85Å; M352-W355 HydrophobicContact SD-CE3 4.4Å; M352-F356 WeakPolarHBondContact O-CB 3.3Å; M352-F356 PolarHBondContact O-N 2.81Å; M352-L458 HydrophobicContact CB-CB 4.26Å; M352-L458 HydrophobicContact SD-CB 4.21Å; M352-L458 HydrophobicContact SD-CD2 3.83Å
353L96Very high94.8Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-69.8-36.6177.2-72.6169.9000112.3L349 S350 M351 F356 K357 F455 L516 F517 L520 L521L349-L353 HydrophobicContact CD1-CD1 4.18Å; L349-L353 HydrophobicContact CD1-CG 4.16Å; L349-L353 HydrophobicContact CG-CD1 3.89Å; L349-L353 HydrophobicContact CG-CG 4.33Å; L349-L353 WeakPolarHBondContact O-CB 3.41Å; L349-L353 VanDerWaalsContact O-CG 3.29Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.05Å; S350-L353 PolarHBondContact O-N 3.49Å; M351-L353 VanDerWaalsContact C-N 3.33Å; M351-L353 PolarHBondContact O-N 2.87Å; L353-F356 PolarHBondContact O-N 2.84Å; L353-K357 VanDerWaalsContact O-CB 3.29Å; L353-K357 WeakPolarHBondContact O-CB 3.48Å; L353-K357 PolarHBondContact O-N 3.21Å; L353-F455 HydrophobicContact CD2-CE2 3.91Å; L353-L516 HydrophobicContact CD2-CG 4.36Å; L353-F517 HydrophobicContact CD2-CE1 4.44Å; L353-L520 HydrophobicContact CD1-CB 3.34Å; L353-L520 HydrophobicContact CD1-CD1 4.25Å; L353-L520 HydrophobicContact CD1-CG 4.44Å; L353-L521 HydrophobicContact CB-CD1 4.16Å; L353-L521 HydrophobicContact CB-CD2 3.89Å; L353-L521 HydrophobicContact CB-CG 3.93Å; L353-L521 HydrophobicContact CD1-CD2 4.41Å; L353-L521 HydrophobicContact CD1-CG 4.17Å
354D95.5Very high95.1Very high40 Ų4043 Ų4321%0.21421%0.212CC..Hα-helixtrans-61.8-46.7173.4-177.573.8000111.3P226 S350 M351 F356 K357 Q358P226-D354 HydrophobicContact CG-CB 4.32Å; P226-D354 VanDerWaalsContact CG-OD2 3.28Å; P226-D354 WeakPolarHBondContact CG-OD2 3.45Å; S350-D354 PolarHBondContact O-N 3.32Å; M351-D354 PolarHBondContact O-N 3.49Å; D354-F356 PolarHBondContact O-N 2.94Å; D354-K357 WeakPolarHBondContact O-CB 3.13Å; D354-K357 PolarHBondContact O-N 2.82Å; D354-Q358 WeakPolarHBondContact O-CG 3.38Å; D354-Q358 PolarHBondContact O-N 2.82Å; D354-Q358 PolarHBondContact OD2-NE2 2.75Å
355W97.5Very high95.4Very high1 Ų143.3 Ų43.30%0.00421%0.207CC..Hα-helixtrans-62.2-45.1174.5-69.5-0.3000112L224 L336 W339 M351 M352 K357 Q358 I359 F383 V389 L458L224-W355 HydrophobicContact CB-CZ2 4.23Å; L224-W355 HydrophobicContact CD1-CH2 4.37Å; L224-W355 HydrophobicContact CD1-CZ2 4.11Å; L224-W355 HydrophobicContact CD2-CZ2 4Å; L224-W355 HydrophobicContact CG-CZ2 4.34Å; L336-W355 HydrophobicContact CD1-CE3 3.93Å; L336-W355 HydrophobicContact CD1-CZ3 3.98Å; W339-W355 AromaticContact CD1-CH2 3.83Å; W339-W355 AromaticContact CD2-CH2 3.65Å; W339-W355 HydrophobicContact CD2-CH2 3.65Å; W339-W355 AromaticContact CD2-CZ3 3.62Å; W339-W355 HydrophobicContact CD2-CZ3 3.62Å; W339-W355 AromaticContact CE2-CH2 3.44Å; W339-W355 VanDerWaalsContact CE2-CH2 3.44Å; W339-W355 AromaticContact CE2-CZ3 3.84Å; W339-W355 HydrophobicContact CE3-CH2 4.16Å; W339-W355 AromaticContact CE3-CZ3 3.67Å; W339-W355 HydrophobicContact CE3-CZ3 3.67Å; W339-W355 AromaticContact CG-CH2 3.99Å; W339-W355 HydrophobicContact CG-CH2 3.99Å; W339-W355 HydrophobicContact CG-CZ3 4.13Å; W339-W355 HydrophobicContact CH2-CH2 4.33Å; W339-W355 HydrophobicContact CH2-CZ3 4.2Å; W339-W355 AromaticContact CZ2-CH2 3.84Å; W339-W355 HydrophobicContact CZ2-CH2 3.84Å; W339-W355 HydrophobicContact CZ2-CZ3 4.15Å; W339-W355 HydrophobicContact CZ3-CH2 4.47Å; W339-W355 AromaticContact CZ3-CZ3 3.96Å; W339-W355 HydrophobicContact CZ3-CZ3 3.96Å; W339-W355 AromaticContact NE1-CH2 3.61Å; M351-W355 HydrophobicContact CE-CH2 4.08Å; M351-W355 HydrophobicContact CE-CZ2 4.09Å; M351-W355 HydrophobicContact CG-CZ2 4.14Å; M351-W355 PolarHBondContact O-N 3.07Å; M351-W355 HydrophobicContact SD-CZ2 4.03Å; M352-W355 HydrophobicContact CE-CD2 4.45Å; M352-W355 HydrophobicContact CE-CE3 3.84Å; M352-W355 HydrophobicContact CE-CH2 4.26Å; M352-W355 HydrophobicContact CE-CZ3 3.73Å; M352-W355 PolarHBondContact O-N 2.85Å; M352-W355 HydrophobicContact SD-CE3 4.4Å; W355-K357 VanDerWaalsContact C-N 3.27Å; W355-K357 PolarHBondContact O-N 2.86Å; W355-Q358 PolarHBondContact O-N 2.71Å; W355-I359 VanDerWaalsContact O-CG1 3.27Å; W355-I359 WeakPolarHBondContact O-CG1 3.24Å; W355-I359 PolarHBondContact O-N 2.67Å; W355-F383 AromaticContact CD2-CE1 3.8Å; W355-F383 HydrophobicContact CD2-CE1 3.8Å; W355-F383 HydrophobicContact CD2-CZ 4.23Å; W355-F383 AromaticContact CE2-CE1 3.63Å; W355-F383 AromaticContact CE3-CE1 3.94Å; W355-F383 HydrophobicContact CE3-CE1 3.94Å; W355-F383 AromaticContact CE3-CZ 3.87Å; W355-F383 HydrophobicContact CE3-CZ 3.87Å; W355-F383 AromaticContact CH2-CE1 3.75Å; W355-F383 HydrophobicContact CH2-CE1 3.75Å; W355-F383 AromaticContact CH2-CZ 3.63Å; W355-F383 HydrophobicContact CH2-CZ 3.63Å; W355-F383 HydrophobicContact CZ2-CD1 4.49Å; W355-F383 AromaticContact CZ2-CE1 3.63Å; W355-F383 HydrophobicContact CZ2-CE1 3.63Å; W355-F383 HydrophobicContact CZ2-CZ 4.03Å; W355-F383 AromaticContact CZ3-CE1 3.91Å; W355-F383 HydrophobicContact CZ3-CE1 3.91Å; W355-F383 AromaticContact CZ3-CZ 3.56Å; W355-F383 HydrophobicContact CZ3-CZ 3.56Å; W355-V389 HydrophobicContact CB-CG2 3.8Å; W355-V389 HydrophobicContact CG-CG2 3.82Å; W355-L458 HydrophobicContact CE3-CD2 4.17Å
356F98.1Very high95.7Very high1 Ų135.7 Ų35.70%0.00417%0.172CC..Hα-helixtrans-59.1-41.7176.9-170.5-115.2000111.7M352 L353 D354 I359 V360 L451 F455 L458 F493 I511 L516 F517M352-F356 WeakPolarHBondContact O-CB 3.3Å; M352-F356 PolarHBondContact O-N 2.81Å; L353-F356 PolarHBondContact O-N 2.84Å; D354-F356 PolarHBondContact O-N 2.94Å; F356-I359 WeakPolarHBondContact O-CB 3.38Å; F356-I359 PolarHBondContact O-N 3.18Å; F356-V360 HydrophobicContact CD1-CG2 4.16Å; F356-V360 HydrophobicContact CE1-CG2 3.71Å; F356-V360 HydrophobicContact CE2-CG2 4.11Å; F356-V360 HydrophobicContact CZ-CG2 3.66Å; F356-V360 VanDerWaalsContact O-CG2 3.29Å; F356-V360 WeakPolarHBondContact O-CG2 3.37Å; F356-V360 PolarHBondContact O-N 3.41Å; F356-L451 HydrophobicContact CE2-CB 4.35Å; F356-L451 HydrophobicContact CE2-CD2 4.22Å; F356-L451 WeakPolarHBondContact CE2-O 3.17Å; F356-L451 HydrophobicContact CZ-CB 4.34Å; F356-F455 AromaticContact CD1-CD2 3.73Å; F356-F455 HydrophobicContact CD1-CD2 3.73Å; F356-F455 HydrophobicContact CD1-CE2 4.47Å; F356-F455 HydrophobicContact CD2-CB 4.07Å; F356-F455 HydrophobicContact CD2-CD2 4.31Å; F356-F455 HydrophobicContact CE1-CB 4.27Å; F356-F455 AromaticContact CE1-CD2 3.9Å; F356-F455 HydrophobicContact CE1-CD2 3.9Å; F356-F455 HydrophobicContact CE1-CG 4.39Å; F356-F455 HydrophobicContact CE2-CB 3.67Å; F356-F455 HydrophobicContact CE2-CD2 4.47Å; F356-F455 AromaticContact CG-CD2 3.97Å; F356-F455 HydrophobicContact CG-CD2 3.97Å; F356-F455 HydrophobicContact CZ-CB 3.8Å; F356-F455 HydrophobicContact CZ-CD2 4.29Å; F356-F455 HydrophobicContact CZ-CG 4.4Å; F356-L458 HydrophobicContact CB-CD1 3.81Å; F356-L458 HydrophobicContact CD2-CD1 3.85Å; F356-L458 HydrophobicContact CG-CD1 4.25Å; F356-F493 HydrophobicContact CE1-CE1 4.17Å; F356-F493 HydrophobicContact CE1-CE2 4.25Å; F356-F493 AromaticContact CE1-CZ 3.62Å; F356-F493 HydrophobicContact CE1-CZ 3.62Å; F356-F493 HydrophobicContact CZ-CE1 4.14Å; F356-F493 HydrophobicContact CZ-CE2 4.47Å; F356-F493 AromaticContact CZ-CZ 3.56Å; F356-F493 HydrophobicContact CZ-CZ 3.56Å; F356-I511 HydrophobicContact CE1-CG2 4.27Å; F356-L516 HydrophobicContact CD1-CD2 4.19Å; F356-L516 HydrophobicContact CE1-CD2 4Å; F356-F517 HydrophobicContact CD1-CE1 4.07Å; F356-F517 AromaticContact CD1-CZ 3.63Å; F356-F517 HydrophobicContact CD1-CZ 3.63Å; F356-F517 HydrophobicContact CE1-CZ 4.13Å
357K97.4Very high96.1Very high78 Ų7829.2 Ų29.234%0.33914%0.144SC..Hα-helixtrans-60.3-48175.4-170.2-177.3177.5-165.70111.7L353 D354 W355 I359 V360 E361 L512 F517L353-K357 VanDerWaalsContact O-CB 3.29Å; L353-K357 WeakPolarHBondContact O-CB 3.48Å; L353-K357 PolarHBondContact O-N 3.21Å; D354-K357 WeakPolarHBondContact O-CB 3.13Å; D354-K357 PolarHBondContact O-N 2.82Å; W355-K357 VanDerWaalsContact C-N 3.27Å; W355-K357 PolarHBondContact O-N 2.86Å; K357-I359 VanDerWaalsContact C-N 3.28Å; K357-I359 PolarHBondContact O-N 2.77Å; K357-V360 PolarHBondContact O-N 3.04Å; K357-V360 VanDerWaalsContact O-N 3.13Å; K357-E361 WeakPolarHBondContact CE-OE1 3.35Å; K357-E361 HydrophobicContact CG-CG 4.47Å; K357-E361 IonicContact NZ-OE1 3.98Å; K357-E361 WeakPolarHBondContact O-CG 3.37Å; K357-E361 PolarHBondContact O-N 3.2Å; K357-L512 HydrophobicContact CG-CD2 3.86Å; K357-F517 HydrophobicContact CB-CD1 4.34Å; K357-F517 HydrophobicContact CB-CE1 3.66Å; K357-F517 HydrophobicContact CB-CZ 3.9Å; K357-F517 HydrophobicContact CG-CE1 4.23Å; K357-F517 HydrophobicContact CG-CZ 4.27Å
358Q98Very high96.2Very high32 Ų3233.1 Ų33.115%0.1517%0.168CC..Hα-helixtrans-58.4-39.8176.5-68.5178.248.800112.1D354 W355 A362 V389D354-Q358 WeakPolarHBondContact O-CG 3.38Å; D354-Q358 PolarHBondContact O-N 2.82Å; D354-Q358 PolarHBondContact OD2-NE2 2.75Å; W355-Q358 PolarHBondContact O-N 2.71Å; Q358-A362 WeakPolarHBondContact O-CB 3.47Å; Q358-A362 PolarHBondContact O-N 3.36Å; Q358-V389 HydrophobicContact CB-CB 3.96Å; Q358-V389 HydrophobicContact CB-CG2 4.27Å
359I98.4Very high96.2Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-63.2-46.8175.3-62.4162.4000110.4L336 W355 F356 K357 A362 M363 I381 V389 I391 L451 I454 L458L336-I359 HydrophobicContact CD2-CD1 4.25Å; W355-I359 VanDerWaalsContact O-CG1 3.27Å; W355-I359 WeakPolarHBondContact O-CG1 3.24Å; W355-I359 PolarHBondContact O-N 2.67Å; F356-I359 WeakPolarHBondContact O-CB 3.38Å; F356-I359 PolarHBondContact O-N 3.18Å; K357-I359 VanDerWaalsContact C-N 3.28Å; K357-I359 PolarHBondContact O-N 2.77Å; I359-A362 PolarHBondContact O-N 3.37Å; I359-M363 PolarHBondContact O-N 3.25Å; I359-I381 HydrophobicContact CD1-CD1 3.86Å; I359-I381 HydrophobicContact CD1-CG2 4.4Å; I359-I381 HydrophobicContact CG1-CD1 4.27Å; I359-I381 HydrophobicContact CG1-CG2 4.43Å; I359-I381 HydrophobicContact CG2-CD1 4.33Å; I359-V389 HydrophobicContact CD1-CG1 4.27Å; I359-V389 HydrophobicContact CG1-CG1 3.4Å; I359-I391 HydrophobicContact CG2-CD1 4.01Å; I359-L451 HydrophobicContact CG2-CD2 3.51Å; I359-I454 HydrophobicContact CD1-CG2 4.27Å; I359-L458 HydrophobicContact CD1-CD1 4.4Å
360V98.3Very high96.1Very high0 Ų030.6 Ų30.60%017%0.166CC..Hα-helixtrans-67.1-38.8-178.8178.70000111.6F356 K357 M363 Q364 L451 C508 I511 L512F356-V360 HydrophobicContact CD1-CG2 4.16Å; F356-V360 HydrophobicContact CE1-CG2 3.71Å; F356-V360 HydrophobicContact CE2-CG2 4.11Å; F356-V360 HydrophobicContact CZ-CG2 3.66Å; F356-V360 VanDerWaalsContact O-CG2 3.29Å; F356-V360 WeakPolarHBondContact O-CG2 3.37Å; F356-V360 PolarHBondContact O-N 3.41Å; K357-V360 PolarHBondContact O-N 3.04Å; K357-V360 VanDerWaalsContact O-N 3.13Å; V360-M363 PolarHBondContact O-N 2.9Å; V360-Q364 WeakPolarHBondContact O-CB 3.4Å; V360-Q364 PolarHBondContact O-N 2.99Å; V360-L451 HydrophobicContact CG2-CD1 4.34Å; V360-L451 HydrophobicContact CG2-CD2 4.31Å; V360-C508 HydrophobicContact CG1-CB 3.91Å; V360-I511 HydrophobicContact CG1-CB 4.09Å; V360-I511 HydrophobicContact CG1-CG2 3.92Å; V360-I511 HydrophobicContact CG2-CG2 4.02Å; V360-L512 HydrophobicContact CB-CD2 4.03Å; V360-L512 HydrophobicContact CB-CG 4.42Å; V360-L512 HydrophobicContact CG1-CD1 4.2Å; V360-L512 HydrophobicContact CG1-CD2 3.82Å; V360-L512 HydrophobicContact CG1-CG 3.66Å
361E98.1Very high96Very high71 Ų7127.8 Ų27.833%0.33215%0.146SC..Hα-helixtrans-62-44.8174.5-73.2173.6168.700111.3K357 Q364 Y365 L512K357-E361 WeakPolarHBondContact CE-OE1 3.35Å; K357-E361 HydrophobicContact CG-CG 4.47Å; K357-E361 IonicContact NZ-OE1 3.98Å; K357-E361 WeakPolarHBondContact O-CG 3.37Å; K357-E361 PolarHBondContact O-N 3.2Å; E361-Q364 WeakPolarHBondContact O-CB 3.48Å; E361-Q364 PolarHBondContact O-N 3.34Å; E361-Y365 PolarHBondContact O-N 3.37Å; E361-Y365 VanDerWaalsContact O-N 3.11Å; E361-L512 HydrophobicContact CG-CD1 3.98Å; E361-L512 HydrophobicContact CG-CD2 3.86Å
362A97.6Very high95.9Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-61.7-43.7174.500000112.5H167 G169 I170 Q358 I359 Y365 V366 I391H167-A362 VanDerWaalsContact CE1-CA 3.5Å; H167-A362 WeakPolarHBondContact CE1-CA 3.49Å; G169-A362 WeakPolarHBondContact O-CB 3.44Å; I170-A362 HydrophobicContact CD1-CB 3.94Å; I170-A362 HydrophobicContact CG1-CB 4.4Å; Q358-A362 WeakPolarHBondContact O-CB 3.47Å; Q358-A362 PolarHBondContact O-N 3.36Å; I359-A362 PolarHBondContact O-N 3.37Å; A362-Y365 WeakPolarHBondContact O-CB 3.32Å; A362-Y365 PolarHBondContact O-N 2.92Å; A362-V366 WeakPolarHBondContact O-CG2 3.39Å; A362-V366 PolarHBondContact O-N 3.02Å; A362-V366 VanDerWaalsContact O-N 3.08Å; A362-I391 HydrophobicContact CB-CD1 3.63Å; A362-I391 HydrophobicContact CB-CG1 4.17Å
363M97.7Very high95.7Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-69.3-33.5177.1-76.8-52.5-46.900113I359 V360 Y365 V366 H367 H373 L376 I391 D447 L451I359-M363 PolarHBondContact O-N 3.25Å; V360-M363 PolarHBondContact O-N 2.9Å; M363-Y365 VanDerWaalsContact C-N 3.31Å; M363-Y365 PolarHBondContact O-N 3.25Å; M363-V366 HydrophobicContact CE-CB 4.17Å; M363-V366 HydrophobicContact CE-CG1 4.13Å; M363-V366 PolarHBondContact O-N 3.25Å; M363-H367 WeakPolarHBondContact CE-NE2 3.32Å; M363-H367 WeakPolarHBondContact O-CB 3.26Å; M363-H367 PolarHBondContact O-CD2 3.34Å; M363-H367 VanDerWaalsContact O-CG 3.22Å; M363-H367 PolarHBondContact O-N 2.94Å; M363-H373 HydrophobicContact CE-CB 3.97Å; M363-H373 HydrophobicContact SD-CB 4.21Å; M363-L376 HydrophobicContact CG-CD2 3.94Å; M363-L376 HydrophobicContact SD-CD1 4.14Å; M363-L376 HydrophobicContact SD-CD2 4.12Å; M363-I391 HydrophobicContact CG-CD1 3.72Å; M363-I391 HydrophobicContact SD-CD1 3.8Å; M363-D447 HydrophobicContact CE-CB 3.7Å; M363-D447 WeakPolarHBondContact CE-OD2 3.46Å; M363-L451 HydrophobicContact CB-CD1 4.36Å; M363-L451 HydrophobicContact CG-CD1 4.47Å; M363-L451 HydrophobicContact CG-CD2 4.33Å
364Q97.3Very high95.4Very high44 Ų4428.5 Ų28.521%0.20615%0.147CC..Hα-helixtrans-57.7-48.6171.2-172.6-176.6-8.800110.3V360 E361 V366 H367 D368 C508V360-Q364 WeakPolarHBondContact O-CB 3.4Å; V360-Q364 PolarHBondContact O-N 2.99Å; E361-Q364 WeakPolarHBondContact O-CB 3.48Å; E361-Q364 PolarHBondContact O-N 3.34Å; Q364-V366 VanDerWaalsContact C-N 3.35Å; Q364-V366 PolarHBondContact O-N 3.11Å; Q364-H367 PolarHBondContact O-N 3.04Å; Q364-D368 WeakPolarHBondContact O-CB 3.44Å; Q364-D368 VanDerWaalsContact O-CG 3.27Å; Q364-D368 PolarHBondContact O-N 2.79Å; Q364-C508 HydrophobicContact CB-CB 3.56Å; Q364-C508 HydrophobicContact CG-CB 4.04Å
365Y97.1Very high95.1Very high60 Ų6027.4 Ų27.424%0.23514%0.141CC..Hα-helixtrans-58.6-45177.5174.7-102000112.2L165 D166 H167 I170 E361 A362 M363 H367 D368 C369L165-Y365 HydrophobicContact CB-CE1 4.29Å; L165-Y365 HydrophobicContact CD2-CD1 3.91Å; L165-Y365 HydrophobicContact CD2-CE1 3.47Å; L165-Y365 VanDerWaalsContact CD2-CE1 3.47Å; D166-Y365 PolarHBondContact N-OH 3.01Å; D166-Y365 PolarHBondContact O-OH 3.15Å; H167-Y365 HydrophobicContact CB-CD1 3.42Å; H167-Y365 VanDerWaalsContact CB-CD1 3.42Å; H167-Y365 HydrophobicContact CB-CD2 4.4Å; H167-Y365 HydrophobicContact CB-CE1 3.62Å; H167-Y365 HydrophobicContact CB-CG 3.84Å; H167-Y365 AromaticContact CD2-CG 3.83Å; H167-Y365 AromaticContact CG-CD1 3.94Å; H167-Y365 AromaticContact CG-CG 3.93Å; I170-Y365 HydrophobicContact CG1-CD1 4.42Å; E361-Y365 PolarHBondContact O-N 3.37Å; E361-Y365 VanDerWaalsContact O-N 3.11Å; A362-Y365 WeakPolarHBondContact O-CB 3.32Å; A362-Y365 PolarHBondContact O-N 2.92Å; M363-Y365 VanDerWaalsContact C-N 3.31Å; M363-Y365 PolarHBondContact O-N 3.25Å; Y365-H367 VanDerWaalsContact C-N 3.32Å; Y365-H367 PolarHBondContact O-N 3.11Å; Y365-D368 PolarHBondContact O-N 2.86Å; Y365-C369 PolarHBondContact O-N 2.96Å; Y365-C369 PolarHBondContact O-SG 2.89Å; Y365-C369 VanDerWaalsContact O-SG 3.35Å
366V94.9Very high94.9Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-58.8-43.7176.4172.90000111.4L165 I170 A362 M363 Q364 C369 M371 F394L165-V366 HydrophobicContact CD2-CG2 4.15Å; I170-V366 HydrophobicContact CD1-CG2 3.59Å; A362-V366 WeakPolarHBondContact O-CG2 3.39Å; A362-V366 PolarHBondContact O-N 3.02Å; A362-V366 VanDerWaalsContact O-N 3.08Å; M363-V366 HydrophobicContact CE-CB 4.17Å; M363-V366 HydrophobicContact CE-CG1 4.13Å; M363-V366 PolarHBondContact O-N 3.25Å; Q364-V366 VanDerWaalsContact C-N 3.35Å; Q364-V366 PolarHBondContact O-N 3.11Å; V366-C369 PolarHBondContact O-N 3.29Å; V366-M371 HydrophobicContact CG1-CB 3.93Å; V366-M371 PolarHBondContact O-N 2.96Å; V366-F394 HydrophobicContact CG2-CE1 3.99Å; V366-F394 HydrophobicContact CG2-CZ 4.44Å
367H95.2Very high94.7Very high27 Ų2728.4 Ų28.413%0.12515%0.146CC..Hα-helixtrans-68.4-39.1178-66.2175000112.4M363 Q364 Y365 C369 G370 M371 F444 D447 C508M363-H367 WeakPolarHBondContact CE-NE2 3.32Å; M363-H367 WeakPolarHBondContact O-CB 3.26Å; M363-H367 PolarHBondContact O-CD2 3.34Å; M363-H367 VanDerWaalsContact O-CG 3.22Å; M363-H367 PolarHBondContact O-N 2.94Å; Q364-H367 PolarHBondContact O-N 3.04Å; Y365-H367 VanDerWaalsContact C-N 3.32Å; Y365-H367 PolarHBondContact O-N 3.11Å; H367-C369 VanDerWaalsContact C-N 3.25Å; H367-C369 PolarHBondContact O-N 3.47Å; H367-G370 WeakPolarHBondContact O-CA 3.46Å; H367-G370 PolarHBondContact O-N 3.25Å; H367-M371 PolarHBondContact CD2-O 2.9Å; H367-F444 PolarHBondContact CE1-O 3.4Å; H367-F444 AromaticContact ND1-CD2 3.74Å; H367-D447 IonicContact CD2-OD2 3.76Å; H367-D447 IonicContact CE1-OD2 3.38Å; H367-D447 IonicContact NE2-OD2 2.81Å; H367-D447 PolarHBondContact NE2-OD2 3.17Å; H367-C508 PolarHBondContact ND1-SG 3.31Å
368D95.2Very high94.6Very high118 Ų11824.8 Ų24.863%0.63113%0.13SC*.Hα-helixtrans-66.3-28.9176.4-72.1-15000111.5Q364 Y365 G370Q364-D368 WeakPolarHBondContact O-CB 3.44Å; Q364-D368 VanDerWaalsContact O-CG 3.27Å; Q364-D368 PolarHBondContact O-N 2.79Å; Y365-D368 PolarHBondContact O-N 2.86Å; D368-G370 PolarHBondContact O-N 2.92Å
369C92.8Very high94.3Very high53 Ų5325.9 Ų25.936%0.35814%0.14SC..THydrogen-bonded Turntrans-77.65.4168.8-650000114Y365 V366 H367 M371Y365-C369 PolarHBondContact O-N 2.96Å; Y365-C369 PolarHBondContact O-SG 2.89Å; Y365-C369 VanDerWaalsContact O-SG 3.35Å; V366-C369 PolarHBondContact O-N 3.29Å; H367-C369 VanDerWaalsContact C-N 3.25Å; H367-C369 PolarHBondContact O-N 3.47Å; C369-M371 VanDerWaalsContact C-N 3.33Å; C369-M371 HydrophobicContact CB-CE 3.53Å; C369-M371 PolarHBondContact O-N 3.5Å
370G90.4Very high94Very high32 Ų3226.3 Ų26.333%0.3314%0.142SC..THydrogen-bonded Turntrans71.124.6178.800000113.8H367 D368 C400H367-G370 WeakPolarHBondContact O-CA 3.46Å; H367-G370 PolarHBondContact O-N 3.25Å; D368-G370 PolarHBondContact O-N 2.92Å; G370-C400 VanDerWaalsContact O-CB 3.28Å; G370-C400 WeakPolarHBondContact O-CB 3.5Å; G370-C400 PolarHBondContact O-N 2.73Å
371M90.7Very high93.9Very high4 Ų426.3 Ų26.32%0.0214%0.142CC..EExtended strand (participates in β ladder)trans-112.2154.5180-70.7-178.7-70.500111.8A161 L165 V366 H367 C369 V397 E399A161-M371 HydrophobicContact CB-SD 3.71Å; L165-M371 HydrophobicContact CD1-CE 4.12Å; L165-M371 HydrophobicContact CD2-CE 3.25Å; L165-M371 HydrophobicContact CG-CE 3.62Å; V366-M371 HydrophobicContact CG1-CB 3.93Å; V366-M371 PolarHBondContact O-N 2.96Å; H367-M371 PolarHBondContact CD2-O 2.9Å; C369-M371 VanDerWaalsContact C-N 3.33Å; C369-M371 HydrophobicContact CB-CE 3.53Å; C369-M371 PolarHBondContact O-N 3.5Å; M371-V397 HydrophobicContact CB-CG1 3.97Å; M371-V397 HydrophobicContact CG-CG1 3.98Å; M371-V397 HydrophobicContact SD-CG1 3.86Å; M371-E399 HydrophobicContact CG-CG 4.45Å
372I91Very high93.9Very high5 Ų525.5 Ų25.53%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-121.7130176-50.7171.8000107.9R374 V397 K398 F444 V446 D447I372-R374 HydrophobicContact CB-CG 4.18Å; I372-R374 HydrophobicContact CG2-CG 3.62Å; I372-V397 WeakPolarHBondContact O-CA 3.49Å; I372-K398 PolarHBondContact N-O 2.79Å; I372-K398 VanDerWaalsContact N-O 3.12Å; I372-K398 PolarHBondContact O-N 3.41Å; I372-F444 HydrophobicContact CG1-CB 4.22Å; I372-V446 HydrophobicContact CG2-CG2 3.45Å; I372-V446 VanDerWaalsContact CG2-CG2 3.45Å; I372-D447 WeakPolarHBondContact CG2-OD2 3.38Å
373H91.4Very high93.8Very high0 Ų025.5 Ų25.50%014%0.137CC..  trans-72.6-44.8-178.2-170.6-68.6000112.2M363 D375 L376 G392 D393 F394 L396 D447M363-H373 HydrophobicContact CE-CB 3.97Å; M363-H373 HydrophobicContact SD-CB 4.21Å; H373-D375 VanDerWaalsContact CE1-C 3.47Å; H373-D375 PolarHBondContact CE1-O 2.89Å; H373-D375 PolarHBondContact ND1-N 3.26Å; H373-D375 PolarHBondContact ND1-O 2.78Å; H373-D375 PolarHBondContact O-N 3.46Å; H373-L376 PolarHBondContact ND1-N 2.73Å; H373-G392 PolarHBondContact NE2-O 3.31Å; H373-D393 PolarHBondContact CE1-O 2.8Å; H373-F394 AromaticContact CD2-CD1 3.6Å; H373-F394 AromaticContact CD2-CE1 3.5Å; H373-F394 VanDerWaalsContact CD2-CE1 3.5Å; H373-F394 WeakPolarHBondContact CD2-CE1 3.29Å; H373-L396 CarbonylContact O-C 3.56Å; H373-D447 PolarHBondContact N-OD1 2.84Å; H373-D447 PolarHBondContact N-OD2 2.86Å
374R89.6Confident93.7Very high32 Ų3225.6 Ų25.612%0.12114%0.138CC..SBendtrans66.9-24.9179.2-56.5-166.5-66.1178.7-4.2117.1I372 L396 Q436 Y442 D447I372-R374 HydrophobicContact CB-CG 4.18Å; I372-R374 HydrophobicContact CG2-CG 3.62Å; R374-L396 HydrophobicContact CB-CB 4Å; R374-L396 PolarHBondContact NE-O 2.82Å; R374-L396 PolarHBondContact NH2-O 3.32Å; R374-Q436 PolarHBondContact O-NE2 3.31Å; R374-Y442 WeakPolarHBondContact CD-OH 3.35Å; R374-Y442 HydrophobicContact CG-CE2 4.03Å; R374-Y442 PolarHBondContact NH1-OH 3.19Å; R374-D447 PolarHBondContact N-OD1 3.08Å
375D89.2Confident93.4Very high17 Ų1728.5 Ų28.59%0.09115%0.154CC..  trans-119.642.6175.5-163.628.7000112.8H373 K377 N380 L396 T428H373-D375 VanDerWaalsContact CE1-C 3.47Å; H373-D375 PolarHBondContact CE1-O 2.89Å; H373-D375 PolarHBondContact ND1-N 3.26Å; H373-D375 PolarHBondContact ND1-O 2.78Å; H373-D375 PolarHBondContact O-N 3.46Å; D375-K377 PolarHBondContact O-N 2.86Å; D375-K377 WeakPolarHBondContact OD1-CE 3.37Å; D375-K377 IonicContact OD1-NZ 3.63Å; D375-K377 PolarHBondContact OD1-NZ 2.89Å; D375-K377 WeakPolarHBondContact OD2-CE 3.39Å; D375-K377 IonicContact OD2-NZ 2.64Å; D375-K377 PolarHBondContact OD2-NZ 3.43Å; D375-N380 PolarHBondContact O-ND2 2.81Å; D375-N380 PolarHBondContact OD2-ND2 2.84Å; D375-L396 HydrophobicContact CB-CB 4.4Å; D375-L396 HydrophobicContact CB-CD1 3.92Å; D375-L396 HydrophobicContact CB-CG 4.26Å; D375-T428 WeakPolarHBondContact OD1-CG2 3.45Å
376L93.9Very high93.3Very high2 Ų230.1 Ų30.11%0.0117%0.171CC..  trans-75.8117.2-179.1-173.467.9000109.6M363 H373 I381 I391 A450 L451 I454M363-L376 HydrophobicContact CG-CD2 3.94Å; M363-L376 HydrophobicContact SD-CD1 4.14Å; M363-L376 HydrophobicContact SD-CD2 4.12Å; H373-L376 PolarHBondContact ND1-N 2.73Å; L376-I381 HydrophobicContact CD1-CD1 4.48Å; L376-I391 HydrophobicContact CD1-CD1 4.2Å; L376-I391 HydrophobicContact CD1-CG2 4.07Å; L376-A450 HydrophobicContact CB-CB 3.99Å; L376-A450 HydrophobicContact CD2-CB 4.34Å; L376-A450 HydrophobicContact CG-CB 4.45Å; L376-A450 WeakPolarHBondContact O-CB 3.37Å; L376-L451 HydrophobicContact CD2-CD2 3.64Å; L376-L451 HydrophobicContact CD2-CG 3.78Å; L376-I454 HydrophobicContact CD2-CD1 4.14Å; L376-I454 HydrophobicContact CG-CD1 3.78Å
377K93.5Very high93.1Very high22 Ų2230.4 Ų30.410%0.09617%0.173CC..  trans-158.5161.6-17959.7-173.1179.1-144.20110.9D375 T379 N380 T428 Y431D375-K377 PolarHBondContact O-N 2.86Å; D375-K377 WeakPolarHBondContact OD1-CE 3.37Å; D375-K377 IonicContact OD1-NZ 3.63Å; D375-K377 PolarHBondContact OD1-NZ 2.89Å; D375-K377 WeakPolarHBondContact OD2-CE 3.39Å; D375-K377 IonicContact OD2-NZ 2.64Å; D375-K377 PolarHBondContact OD2-NZ 3.43Å; K377-T379 WeakPolarHBondContact CD-OG1 3.43Å; K377-T379 WeakPolarHBondContact CE-OG1 3.36Å; K377-T379 WeakPolarHBondContact CG-OG1 3.07Å; K377-T379 PolarHBondContact O-N 3.45Å; K377-T379 VanDerWaalsContact O-N 3.13Å; K377-N380 HydrophobicContact CG-CB 4.3Å; K377-N380 PolarHBondContact O-N 2.06Å; K377-T428 PolarHBondContact NZ-OG1 3.01Å; K377-Y431 HydrophobicContact CB-CD1 4.37Å; K377-Y431 HydrophobicContact CB-CD2 3.57Å; K377-Y431 HydrophobicContact CB-CE2 3.73Å; K377-Y431 HydrophobicContact CB-CG 3.91Å
378P95.5Very high93.1Very high1 Ų133.6 Ų33.61%0.00619%0.188CC..G310 helixtrans-58-27.4-177.4-28.237.5000115.3L336 M337 L340 N380 I381 Y431 I454L336-P378 HydrophobicContact CB-CB 4.2Å; L336-P378 WeakPolarHBondContact CB-O 3.15Å; L336-P378 HydrophobicContact CD2-CB 4.24Å; L336-P378 HydrophobicContact CG-CB 4.15Å; L336-P378 PolarHBondContact N-O 3.41Å; M337-P378 HydrophobicContact CB-CB 3.92Å; M337-P378 PolarHBondContact N-O 2.85Å; M337-P378 HydrophobicContact SD-CB 4.3Å; L340-P378 HydrophobicContact CD1-CB 4.18Å; L340-P378 HydrophobicContact CD1-CG 4.29Å; P378-N380 PolarHBondContact O-N 2.77Å; P378-I381 PolarHBondContact O-N 3.43Å; P378-Y431 WeakPolarHBondContact CD-OH 3.45Å; P378-Y431 HydrophobicContact CG-CE1 4.32Å; P378-Y431 VanDerWaalsContact CG-OH 3.28Å; P378-Y431 WeakPolarHBondContact CG-OH 3.47Å; P378-I454 HydrophobicContact CG-CG1 4.27Å
379T92Very high93.2Very high56 Ų5628 Ų2834%0.34416%0.159SC..G310 helixtrans-71.5-20.2175.961.40000113T335 M337 K377T335-T379 WeakPolarHBondContact CG2-O 3.48Å; M337-T379 HydrophobicContact CB-CG2 3.68Å; M337-T379 HydrophobicContact CG-CG2 3.83Å; K377-T379 WeakPolarHBondContact CD-OG1 3.43Å; K377-T379 WeakPolarHBondContact CE-OG1 3.36Å; K377-T379 WeakPolarHBondContact CG-OG1 3.07Å; K377-T379 PolarHBondContact O-N 3.45Å; K377-T379 VanDerWaalsContact O-N 3.13Å
380N93Very high93.4Very high9 Ų926.3 Ų26.35%0.04815%0.145CC..G310 helixtrans-98.75.4178.9-65.5-2.9000111.5D375 K377 P378 F382 G392 D393D375-N380 PolarHBondContact O-ND2 2.81Å; D375-N380 PolarHBondContact OD2-ND2 2.84Å; K377-N380 HydrophobicContact CG-CB 4.3Å; K377-N380 PolarHBondContact O-N 2.06Å; P378-N380 PolarHBondContact O-N 2.77Å; N380-F382 WeakPolarHBondContact O-CE2 3.44Å; N380-G392 PolarHBondContact O-N 3.24Å; N380-D393 HydrophobicContact CB-CB 4.34Å
381I96.5Very high93.7Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-109121.3175.1-62.6167.2000107.5T335 L336 I359 L376 P378 V389 I454T335-I381 CarbonylContact C-O 3.55Å; T335-I381 WeakPolarHBondContact CA-O 3.38Å; T335-I381 WeakPolarHBondContact CB-O 3.42Å; L336-I381 HydrophobicContact CB-CB 3.87Å; L336-I381 HydrophobicContact CB-CG2 3.88Å; L336-I381 HydrophobicContact CD2-CB 4.21Å; L336-I381 HydrophobicContact CD2-CD1 3.89Å; L336-I381 HydrophobicContact CD2-CG2 4.05Å; L336-I381 PolarHBondContact N-O 3.47Å; I359-I381 HydrophobicContact CD1-CD1 3.86Å; I359-I381 HydrophobicContact CD1-CG2 4.4Å; I359-I381 HydrophobicContact CG1-CD1 4.27Å; I359-I381 HydrophobicContact CG1-CG2 4.43Å; I359-I381 HydrophobicContact CG2-CD1 4.33Å; L376-I381 HydrophobicContact CD1-CD1 4.48Å; P378-I381 PolarHBondContact O-N 3.43Å; I381-V389 HydrophobicContact CG2-CG1 3.57Å; I381-I454 HydrophobicContact CD1-CD1 3.98Å; I381-I454 HydrophobicContact CD1-CG2 4.32Å
382F96.9Very high93.7Very high53 Ų5324.7 Ų24.723%0.23213%0.13CC..EExtended strand (participates in β ladder)trans-114170.9-176.9-56-90.3000110.6V171 C331 T335 N380 V389 K390V171-F382 HydrophobicContact CG2-CD2 4.19Å; C331-F382 HydrophobicContact CB-CB 3.73Å; C331-F382 HydrophobicContact CB-CG 4.32Å; T335-F382 HydrophobicContact CG2-CD1 3.85Å; T335-F382 HydrophobicContact CG2-CE1 3.63Å; T335-F382 HydrophobicContact CG2-CZ 4.42Å; N380-F382 WeakPolarHBondContact O-CE2 3.44Å; F382-V389 CarbonylContact O-C 3.54Å; F382-V389 WeakPolarHBondContact O-CA 2.96Å; F382-K390 HydrophobicContact CB-CB 4.38Å; F382-K390 PolarHBondContact N-O 3.48Å; F382-K390 PolarHBondContact O-N 3.41Å
383F97Very high93.2Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-112.6132.5168.5-60.8-83.9000109.9L224 C331 R332 Y334 L336 W339 W355 Q388 V389L224-F383 HydrophobicContact CD2-CD1 4.08Å; L224-F383 HydrophobicContact CD2-CG 4.5Å; C331-F383 CarbonylContact C-O 3.58Å; C331-F383 WeakPolarHBondContact CA-O 3.38Å; C331-F383 WeakPolarHBondContact CB-O 3.23Å; R332-F383 HydrophobicContact CB-CB 4.39Å; R332-F383 WeakPolarHBondContact CB-O 3.29Å; R332-F383 HydrophobicContact CG-CB 4.41Å; R332-F383 WeakPolarHBondContact CG-O 3.32Å; R332-F383 PolarHBondContact N-O 2.77Å; Y334-F383 AromaticContact CD2-CD2 3.57Å; Y334-F383 HydrophobicContact CD2-CD2 3.57Å; Y334-F383 HydrophobicContact CD2-CE2 4.04Å; Y334-F383 HydrophobicContact CE2-CB 4.2Å; Y334-F383 AromaticContact CE2-CD2 3.39Å; Y334-F383 HydrophobicContact CE2-CD2 3.39Å; Y334-F383 AromaticContact CE2-CE2 3.98Å; Y334-F383 HydrophobicContact CE2-CE2 3.98Å; Y334-F383 AromaticContact CE2-CG 3.98Å; Y334-F383 HydrophobicContact CE2-CG 3.98Å; L336-F383 HydrophobicContact CB-CE2 4.38Å; L336-F383 HydrophobicContact CB-CZ 4.47Å; L336-F383 HydrophobicContact CD1-CE2 4.45Å; L336-F383 HydrophobicContact CD1-CZ 3.88Å; W339-F383 HydrophobicContact CB-CE2 4.09Å; W355-F383 AromaticContact CD2-CE1 3.8Å; W355-F383 HydrophobicContact CD2-CE1 3.8Å; W355-F383 HydrophobicContact CD2-CZ 4.23Å; W355-F383 AromaticContact CE2-CE1 3.63Å; W355-F383 AromaticContact CE3-CE1 3.94Å; W355-F383 HydrophobicContact CE3-CE1 3.94Å; W355-F383 AromaticContact CE3-CZ 3.87Å; W355-F383 HydrophobicContact CE3-CZ 3.87Å; W355-F383 AromaticContact CH2-CE1 3.75Å; W355-F383 HydrophobicContact CH2-CE1 3.75Å; W355-F383 AromaticContact CH2-CZ 3.63Å; W355-F383 HydrophobicContact CH2-CZ 3.63Å; W355-F383 HydrophobicContact CZ2-CD1 4.49Å; W355-F383 AromaticContact CZ2-CE1 3.63Å; W355-F383 HydrophobicContact CZ2-CE1 3.63Å; W355-F383 HydrophobicContact CZ2-CZ 4.03Å; W355-F383 AromaticContact CZ3-CE1 3.91Å; W355-F383 HydrophobicContact CZ3-CE1 3.91Å; W355-F383 AromaticContact CZ3-CZ 3.56Å; W355-F383 HydrophobicContact CZ3-CZ 3.56Å; F383-Q388 CarbonylContact C-O 3.57Å; F383-Q388 WeakPolarHBondContact CA-O 3.41Å; F383-V389 HydrophobicContact CD1-CG2 4.49Å; F383-V389 HydrophobicContact CE1-CG2 4.14Å
384S94.7Very high92.5Very high2 Ų227.1 Ų27.11%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-62165.2167.262.40000111.3R332 T386 G387 Q388R332-S384 WeakPolarHBondContact CD-O 3.2Å; R332-S384 WeakPolarHBondContact CG-O 3.31Å; R332-S384 PolarHBondContact NE-O 3.27Å; R332-S384 VanDerWaalsContact NE-O 3.15Å; S384-T386 PolarHBondContact O-N 3.07Å; S384-T386 VanDerWaalsContact O-N 3.11Å; S384-T386 PolarHBondContact OG-OG1 2.99Å; S384-T386 VanDerWaalsContact OG-OG1 3.04Å; S384-G387 PolarHBondContact O-N 3.43Å; S384-G387 PolarHBondContact OG-N 3.02Å; S384-Q388 PolarHBondContact N-O 3.45Å; S384-Q388 WeakPolarHBondContact OG-CB 3.28Å; S384-Q388 PolarHBondContact OG-N 3.39Å; S384-Q388 PolarHBondContact OG-O 2.97Å; S384-Q388 VanDerWaalsContact OG-O 3.08Å
385L92Very high91.2Very high105 Ų10526.1 Ų26.155%0.5514%0.141SC..THydrogen-bonded Turntrans-58.7-25.6175.4-57.2-178.4000112.5R332R332-L385 HydrophobicContact CG-CD2 4.23Å; R332-L385 PolarHBondContact NE-O 3.2Å; R332-L385 PolarHBondContact NH2-O 3.19Å
386T93.3Very high89.9Confident95 Ų9528 Ų2858%0.58315%0.151SC*.THydrogen-bonded Turntrans-87.5-1.2175.856.10000114.3S384S384-T386 PolarHBondContact O-N 3.07Å; S384-T386 VanDerWaalsContact O-N 3.11Å; S384-T386 PolarHBondContact OG-OG1 2.99Å; S384-T386 VanDerWaalsContact OG-OG1 3.04Å
387G91.1Very high88.7Confident5 Ų528.3 Ų28.35%0.05215%0.153CC..SBendtrans91.21176.100000115.9S384S384-G387 PolarHBondContact O-N 3.43Å; S384-G387 PolarHBondContact OG-N 3.02Å
388Q95.1Very high87.3Confident94 Ų9432.1 Ų32.144%0.43917%0.17SC..  trans-75.2146.8172.8-64.7179.4-31.600111.7F383 S384F383-Q388 CarbonylContact C-O 3.57Å; F383-Q388 WeakPolarHBondContact CA-O 3.41Å; S384-Q388 PolarHBondContact N-O 3.45Å; S384-Q388 WeakPolarHBondContact OG-CB 3.28Å; S384-Q388 PolarHBondContact OG-N 3.39Å; S384-Q388 PolarHBondContact OG-O 2.97Å; S384-Q388 VanDerWaalsContact OG-O 3.08Å
389V97.7Very high85.5Confident2 Ų235.3 Ų35.31%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-66.4139.7175.1173.70000110.1G169 W355 Q358 I359 I381 F382 F383G169-V389 WeakPolarHBondContact CA-O 3.37Å; W355-V389 HydrophobicContact CB-CG2 3.8Å; W355-V389 HydrophobicContact CG-CG2 3.82Å; Q358-V389 HydrophobicContact CB-CB 3.96Å; Q358-V389 HydrophobicContact CB-CG2 4.27Å; I359-V389 HydrophobicContact CD1-CG1 4.27Å; I359-V389 HydrophobicContact CG1-CG1 3.4Å; I381-V389 HydrophobicContact CG2-CG1 3.57Å; F382-V389 CarbonylContact O-C 3.54Å; F382-V389 WeakPolarHBondContact O-CA 2.96Å; F383-V389 HydrophobicContact CD1-CG2 4.49Å; F383-V389 HydrophobicContact CE1-CG2 4.14Å
390K97.2Very high83.6Confident16 Ų1636 Ų367%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-135.2115.3176.3-62.8-70.6-175.9161.90110.1P168 G169 V171 Q329 F382P168-K390 WeakPolarHBondContact O-CD 3.27Å; P168-K390 WeakPolarHBondContact O-CE 3.41Å; P168-K390 PolarHBondContact O-NZ 3.43Å; G169-K390 CarbonylContact O-C 3.53Å; G169-K390 WeakPolarHBondContact O-CA 3.37Å; V171-K390 HydrophobicContact CG2-CB 3.82Å; Q329-K390 VanDerWaalsContact OE1-NZ 3.12Å; F382-K390 HydrophobicContact CB-CB 4.38Å; F382-K390 PolarHBondContact N-O 3.48Å; F382-K390 PolarHBondContact O-N 3.41Å
391I96.1Very high81Confident0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-77.7129170.6-54.5179.7000108.5G169 I170 V171 I359 A362 M363 L376 F394G169-I391 PolarHBondContact O-N 3.25Å; I170-I391 HydrophobicContact CD1-CB 4.22Å; V171-I391 WeakPolarHBondContact CG2-O 3.43Å; V171-I391 PolarHBondContact N-O 3.21Å; I359-I391 HydrophobicContact CG2-CD1 4.01Å; A362-I391 HydrophobicContact CB-CD1 3.63Å; A362-I391 HydrophobicContact CB-CG1 4.17Å; M363-I391 HydrophobicContact CG-CD1 3.72Å; M363-I391 HydrophobicContact SD-CD1 3.8Å; L376-I391 HydrophobicContact CD1-CD1 4.2Å; L376-I391 HydrophobicContact CD1-CG2 4.07Å; I391-F394 HydrophobicContact CG2-CZ 4.07Å
392G90.2Very high78Confident3 Ų347.2 Ų47.23%0.03126%0.255CS..  trans-129.9-172.4176.300000112H373 N380H373-G392 PolarHBondContact NE2-O 3.31Å; N380-G392 PolarHBondContact O-N 3.24Å
393D81.5Confident75.2Confident46 Ų4654.8 Ų54.825%0.24628%0.283CS..  trans54.463.7178.4-15125.8000115.7K141 H373 N380 G395K141-D393 IonicContact NZ-OD1 3.76Å; K141-D393 PolarHBondContact NZ-OD1 3.08Å; H373-D393 PolarHBondContact CE1-O 2.8Å; N380-D393 HydrophobicContact CB-CB 4.34Å; D393-G395 PolarHBondContact O-N 3.28Å
394F76.6Confident72.1Confident10 Ų1062.2 Ų62.24%0.04432%0.318CS..  trans-74.226.3172.7-66.5-82.9000113.4L162 L165 I170 V366 H373 I391 L396 V397L162-F394 HydrophobicContact CD1-CD2 3.57Å; L162-F394 HydrophobicContact CD1-CE2 4.05Å; L162-F394 HydrophobicContact CD1-CG 4.34Å; L165-F394 HydrophobicContact CD1-CD1 4.03Å; L165-F394 HydrophobicContact CD1-CD2 4.4Å; L165-F394 HydrophobicContact CD1-CE1 3.73Å; L165-F394 HydrophobicContact CD1-CE2 4.17Å; L165-F394 HydrophobicContact CD1-CG 4.34Å; L165-F394 HydrophobicContact CD1-CZ 3.83Å; I170-F394 HydrophobicContact CD1-CE1 4.46Å; I170-F394 HydrophobicContact CD1-CZ 3.71Å; I170-F394 HydrophobicContact CG2-CE2 3.64Å; I170-F394 HydrophobicContact CG2-CZ 3.67Å; V366-F394 HydrophobicContact CG2-CE1 3.99Å; V366-F394 HydrophobicContact CG2-CZ 4.44Å; H373-F394 AromaticContact CD2-CD1 3.6Å; H373-F394 AromaticContact CD2-CE1 3.5Å; H373-F394 VanDerWaalsContact CD2-CE1 3.5Å; H373-F394 WeakPolarHBondContact CD2-CE1 3.29Å; I391-F394 HydrophobicContact CG2-CZ 4.07Å; F394-L396 PolarHBondContact O-N 3.23Å; F394-V397 HydrophobicContact CB-CB 4.26Å; F394-V397 HydrophobicContact CB-CG2 3.41Å; F394-V397 VanDerWaalsContact CB-CG2 3.41Å; F394-V397 HydrophobicContact CD1-CG2 3.33Å; F394-V397 HydrophobicContact CE1-CG2 4.48Å; F394-V397 HydrophobicContact CG-CG2 3.8Å; F394-V397 WeakPolarHBondContact O-CB 3.41Å; F394-V397 PolarHBondContact O-N 2.85Å
395G63.4Low69.2Low10 Ų1070.3 Ų70.310%0.10336%0.355CS..THydrogen-bonded Turntrans-63.9-13.2-175.500000114.1E158 D393E158-G395 VanDerWaalsContact OE1-O 3.13Å; D393-G395 PolarHBondContact O-N 3.28Å
396L60.2Low66.5Low57 Ų5769.4 Ų69.430%0.29836%0.358SS..THydrogen-bonded Turntrans-113.624168.9-60.8-173.1000112H373 R374 D375 F394 K398H373-L396 CarbonylContact O-C 3.56Å; R374-L396 HydrophobicContact CB-CB 4Å; R374-L396 PolarHBondContact NE-O 2.82Å; R374-L396 PolarHBondContact NH2-O 3.32Å; D375-L396 HydrophobicContact CB-CB 4.4Å; D375-L396 HydrophobicContact CB-CD1 3.92Å; D375-L396 HydrophobicContact CB-CG 4.26Å; F394-L396 PolarHBondContact O-N 3.23Å; L396-K398 PolarHBondContact O-N 2.89Å
397V69Low63.7Low9 Ų970.8 Ų70.86%0.05536%0.362CS..  trans-67.6138.2178.71690000112.8A161 M371 I372 F394A161-V397 HydrophobicContact CB-CB 4.48Å; A161-V397 HydrophobicContact CB-CG1 3.81Å; M371-V397 HydrophobicContact CB-CG1 3.97Å; M371-V397 HydrophobicContact CG-CG1 3.98Å; M371-V397 HydrophobicContact SD-CG1 3.86Å; I372-V397 WeakPolarHBondContact O-CA 3.49Å; F394-V397 HydrophobicContact CB-CB 4.26Å; F394-V397 HydrophobicContact CB-CG2 3.41Å; F394-V397 VanDerWaalsContact CB-CG2 3.41Å; F394-V397 HydrophobicContact CD1-CG2 3.33Å; F394-V397 HydrophobicContact CE1-CG2 4.48Å; F394-V397 HydrophobicContact CG-CG2 3.8Å; F394-V397 WeakPolarHBondContact O-CB 3.41Å; F394-V397 PolarHBondContact O-N 2.85Å
398K64Low60.9Low102 Ų10279.8 Ų79.844%0.44340%0.403SS..EExtended strand (participates in β ladder)trans-126.2134.3168.1-166.6172.8178.3178.80109.6I372 L396I372-K398 PolarHBondContact N-O 2.79Å; I372-K398 VanDerWaalsContact N-O 3.12Å; I372-K398 PolarHBondContact O-N 3.41Å; L396-K398 PolarHBondContact O-N 2.89Å
399E58.4Low58Low67 Ų6779.2 Ų79.231%0.31341%0.409SS..EExtended strand (participates in β ladder)trans-65.5130.2164.1-102.1177.6150.200108.6R164 M371 L401R164-E399 IonicContact CZ-OE1 3.87Å; R164-E399 IonicContact NH1-OE1 3.64Å; R164-E399 PolarHBondContact NH1-OE1 2.66Å; R164-E399 IonicContact NH1-OE2 2.77Å; R164-E399 IonicContact NH2-OE1 3.43Å; M371-E399 HydrophobicContact CG-CG 4.45Å; E399-L401 HydrophobicContact CB-CG 4.26Å; E399-L401 PolarHBondContact O-N 3.16Å
400C51.4Low55.2Low70 Ų7082 Ų8247%0.47342%0.423SS..  trans-75.262.7172.7-159.80000108.8G370G370-C400 VanDerWaalsContact O-CB 3.28Å; G370-C400 WeakPolarHBondContact O-CB 3.5Å; G370-C400 PolarHBondContact O-N 2.73Å
401L39.6Very low52.3Low133 Ų13386.9 Ų86.970%0.69646%0.457SS*.  trans-70.4136.4165-68.4171.9000107.6E399E399-L401 HydrophobicContact CB-CG 4.26Å; E399-L401 PolarHBondContact O-N 3.16Å
402T32.7Very low49.5Very low113 Ų11389.8 Ų89.869%0.69347%0.473SS*.  trans-33.5152.9179.243.80000114.1E404T402-E404 PolarHBondContact O-N 3.33Å
403Y37.8Very low47.1Very low211 Ų21194.7 Ų94.783%0.82750%0.497SS*.SBendtrans-45.95.8-175.6-129.5-97.3000118.5
404E32.8Very low44.9Very low156 Ų15695.2 Ų95.273%0.72951%0.514SS*.SBendtrans-110.2125-177-60.3-177.2173.600108.3T402T402-E404 PolarHBondContact O-N 3.33Å
405Q32.1Very low42.8Very low172 Ų17297.6 Ų97.680%0.80454%0.535SS*.  trans84.344.9177.7-47.4175.40.300115.9D407Q405-D407 PolarHBondContact O-N 3.42Å
406S36.4Very low41.4Very low87 Ų87102.2 Ų102.261%0.60856%0.561SS**  trans-64.290.6141.256.40000107.2E408S406-E408 PolarHBondContact O-N 3.46Å
407D34.3Very low40.1Very low123 Ų123102.5 Ų102.566%0.65857%0.568SS**  trans-48.1114.3162.8-81-32000106.9Q405 S409Q405-D407 PolarHBondContact O-N 3.42Å; D407-S409 PolarHBondContact O-N 3.33Å
408E31.4Very low38.2Very low195 Ų195106.2 Ų106.291%0.91159%0.594SS**SBendtrans-68.959.2176.5-71.8-157.8153.200110.4S406S406-E408 PolarHBondContact O-N 3.46Å
409S35.7Very low36.6Very low82 Ų82107.6 Ų107.657%0.57361%0.611SS**  trans-179.585.1162.254.80000106.9D407 P411D407-S409 PolarHBondContact O-N 3.33Å; S409-P411 VanDerWaalsContact O-CD 3.32Å; S409-P411 WeakPolarHBondContact O-CD 3.28Å
410D38.5Very low35.2Very low59 Ų59109.7 Ų109.732%0.31663%0.628SS.*  trans-102.977.7149.9-160.10.6000106.7R154 D412R154-D410 IonicContact CZ-OD1 2.87Å; R154-D410 IonicContact CZ-OD2 2.71Å; R154-D410 IonicContact NH1-OD1 2.82Å; R154-D410 PolarHBondContact NH1-OD1 3.37Å; R154-D410 IonicContact NH1-OD2 3.05Å; R154-D410 IonicContact NH2-OD1 3.21Å; R154-D410 IonicContact NH2-OD2 2.75Å; D410-D412 PolarHBondContact O-N 2.88Å; D410-D412 VanDerWaalsContact O-N 3.16Å
411P36.6Very low34.4Very low120 Ų120108.1 Ų108.178%0.77962%0.621SS**  trans-78.510.4-17717.4-1.5000112.2S409S409-P411 VanDerWaalsContact O-CD 3.32Å; S409-P411 WeakPolarHBondContact O-CD 3.28Å
412D37.4Very low33.9Very low61 Ų61110.7 Ų110.733%0.32663%0.629SS.*  trans-12841.1-167.5-151.64.8000114.3D410 G414 A415D410-D412 PolarHBondContact O-N 2.88Å; D410-D412 VanDerWaalsContact O-N 3.16Å; D412-G414 PolarHBondContact O-N 3.29Å; D412-A415 WeakPolarHBondContact OD1-CA 3.47Å; D412-A415 WeakPolarHBondContact OD1-CB 3.49Å; D412-A415 PolarHBondContact OD1-N 3.32Å
413I39.3Very low33.9Very low105 Ų105110 Ų11054%0.53862%0.624SS.*SBendtrans-70-1.7166.4-66.8174000111.3
414G34.5Very low33.7Very low58 Ų58105.9 Ų105.960%0.59861%0.613SS**SBendtrans-144.2-9.3-171.400000119.7D412D412-G414 PolarHBondContact O-N 3.29Å
415A32.9Very low33.9Very low59 Ų59102.9 Ų102.949%0.48860%0.602SS.*G310 helixtrans-89.3-8.3-169.100000115.4D412 S417 S418D412-A415 WeakPolarHBondContact OD1-CA 3.47Å; D412-A415 WeakPolarHBondContact OD1-CB 3.49Å; D412-A415 PolarHBondContact OD1-N 3.32Å; A415-S417 VanDerWaalsContact C-N 3.28Å; A415-S417 PolarHBondContact O-N 3.43Å; A415-S418 PolarHBondContact O-OG 3.19Å
416V34Very low34Very low107 Ų10798.2 Ų98.265%0.64859%0.585SS**G310 helixtrans-81.7-9.1175.9-170.70000112.6
417S33.1Very low34.7Very low64 Ų6495.3 Ų95.345%0.44857%0.568SS.*G310 helixtrans-103.630.9175.2-155.90000113A415 T419A415-S417 VanDerWaalsContact C-N 3.28Å; A415-S417 PolarHBondContact O-N 3.43Å; S417-T419 PolarHBondContact O-N 3.01Å
418S28.7Very low36.1Very low87 Ų8792.2 Ų92.261%0.60855%0.554SS**  trans-91.175.4176.765.40000111.2A415A415-S418 PolarHBondContact O-OG 3.19Å
419T30.5Very low38.3Very low130 Ų13088.2 Ų88.280%0.79853%0.532SS*.SBendtrans165.7129143.246.30000107.9S417S417-T419 PolarHBondContact O-N 3.01Å
420V30.5Very low40.8Very low111 Ų11184.7 Ų84.767%0.67351%0.506SS*.SBendtrans96.6119.2179-165.10000114.8
421A33.2Very low43.4Very low38 Ų3882.5 Ų82.531%0.31449%0.493SS..  trans7588.4166.600000118.7T423 Q424A421-T423 PolarHBondContact O-N 2.67Å; A421-Q424 HydrophobicContact CB-CB 4.46Å; A421-Q424 HydrophobicContact CB-CG 4.32Å; A421-Q424 PolarHBondContact O-N 3.49Å
422H29.5Very low46Very low186 Ų18679 Ų7986%0.86147%0.467SS*.THydrogen-bonded Turntrans-52.9-9.6165.7-110.3-74.1000115.1V426H422-V426 WeakPolarHBondContact O-CG2 3.29Å
423T33Very low48.6Very low98 Ų9876.1 Ų76.160%0.60145%0.452SS*.THydrogen-bonded Turntrans-99.3-34.5-178.845.30000113.7A421 V426 G427A421-T423 PolarHBondContact O-N 2.67Å; T423-V426 PolarHBondContact O-N 3.23Å; T423-G427 PolarHBondContact O-N 3.4Å
424Q33.1Very low51.1Low125 Ų12572.3 Ų72.358%0.58443%0.434SS*.Hα-helixtrans-71.8-36.6-178.9-74.2-169.8-7.100112.6A421 V426 G427 T428A421-Q424 HydrophobicContact CB-CB 4.46Å; A421-Q424 HydrophobicContact CB-CG 4.32Å; A421-Q424 PolarHBondContact O-N 3.49Å; Q424-V426 PolarHBondContact O-N 3.38Å; Q424-G427 PolarHBondContact O-N 3.08Å; Q424-G427 VanDerWaalsContact O-N 3.08Å; Q424-T428 PolarHBondContact O-N 3.16Å
425N36.3Very low53.8Low93 Ų9370.5 Ų70.550%0.49741%0.41SS..Hα-helixtrans-63.1-30.7175.4-83.19.8000112.6G427N425-G427 VanDerWaalsContact C-N 3.31Å
426V35.8Very low56.4Low74 Ų7468.9 Ų68.945%0.44839%0.392SS..Hα-helixtrans-65.7-37.9175.1-179.50000110.5H422 T423 Q424 Y429H422-V426 WeakPolarHBondContact O-CG2 3.29Å; T423-V426 PolarHBondContact O-N 3.23Å; Q424-V426 PolarHBondContact O-N 3.38Å; V426-Y429 PolarHBondContact O-N 3.48Å
427G50.4Low58.9Low26 Ų2666.9 Ų66.927%0.26838%0.376SS..Hα-helixtrans-65.1-44.7-178.600000113.7T423 Q424 N425 Y429 L430T423-G427 PolarHBondContact O-N 3.4Å; Q424-G427 PolarHBondContact O-N 3.08Å; Q424-G427 VanDerWaalsContact O-N 3.08Å; N425-G427 VanDerWaalsContact C-N 3.31Å; G427-Y429 VanDerWaalsContact C-N 3.26Å; G427-Y429 PolarHBondContact O-N 3.43Å; G427-L430 WeakPolarHBondContact O-CB 3.35Å; G427-L430 PolarHBondContact O-N 2.95Å
428T63.4Low61.3Low58 Ų5868.9 Ų68.936%0.35639%0.386SS..Hα-helixtrans-62.9-33.7179.7-59.30000112D375 K377 Q424 L430D375-T428 WeakPolarHBondContact OD1-CG2 3.45Å; K377-T428 PolarHBondContact NZ-OG1 3.01Å; Q424-T428 PolarHBondContact O-N 3.16Å; T428-L430 VanDerWaalsContact C-N 3.28Å; T428-L430 PolarHBondContact O-N 2.97Å
429Y78.3Confident63.6Low112 Ų11272.8 Ų72.844%0.43939%0.392SS..Hα-helixtrans-65.9-28.3178.4-166.8-88.5000113.2V426 G427 Y431 M432 E437V426-Y429 PolarHBondContact O-N 3.48Å; G427-Y429 VanDerWaalsContact C-N 3.26Å; G427-Y429 PolarHBondContact O-N 3.43Å; Y429-Y431 PolarHBondContact O-N 2.87Å; Y429-M432 HydrophobicContact CD2-CE 3.28Å; Y429-M432 HydrophobicContact CE2-CE 3.21Å; Y429-M432 HydrophobicContact CG-CE 4.22Å; Y429-M432 WeakPolarHBondContact O-CB 3.46Å; Y429-M432 PolarHBondContact O-N 3.35Å; Y429-M432 VanDerWaalsContact O-N 3.11Å; Y429-E437 HydrophobicContact CE1-CG 4.44Å; Y429-E437 WeakPolarHBondContact CE1-OE1 3.29Å; Y429-E437 HydrophobicContact CE2-CG 4.11Å; Y429-E437 WeakPolarHBondContact OH-CG 3.32Å; Y429-E437 PolarHBondContact OH-OE1 3.28Å; Y429-E437 PolarHBondContact OH-OE2 3.12Å
430L88.5Confident65.8Low7 Ų767.8 Ų67.84%0.03737%0.366CS..Hα-helixtrans-61.9-30-174.8-66.9172.5000112.9G427 T428 L453 I469 L472 K473 R476G427-L430 WeakPolarHBondContact O-CB 3.35Å; G427-L430 PolarHBondContact O-N 2.95Å; T428-L430 VanDerWaalsContact C-N 3.28Å; T428-L430 PolarHBondContact O-N 2.97Å; L430-L453 WeakPolarHBondContact O-CD1 3.38Å; L430-I469 HydrophobicContact CD1-CG1 4.11Å; L430-L472 HydrophobicContact CB-CD1 4.41Å; L430-L472 HydrophobicContact CD1-CD1 4.17Å; L430-K473 HydrophobicContact CD2-CG 4.14Å; L430-R476 PolarHBondContact O-NH1 3.41Å
431Y92.8Very high68.1Low13 Ų1367.4 Ų67.45%0.05137%0.366CS..THydrogen-bonded Turntrans-90.3-12.5-179.7-61-81.8000114.1K377 P378 Y429 S433 L453 I454 E457 R468K377-Y431 HydrophobicContact CB-CD1 4.37Å; K377-Y431 HydrophobicContact CB-CD2 3.57Å; K377-Y431 HydrophobicContact CB-CE2 3.73Å; K377-Y431 HydrophobicContact CB-CG 3.91Å; P378-Y431 WeakPolarHBondContact CD-OH 3.45Å; P378-Y431 HydrophobicContact CG-CE1 4.32Å; P378-Y431 VanDerWaalsContact CG-OH 3.28Å; P378-Y431 WeakPolarHBondContact CG-OH 3.47Å; Y429-Y431 PolarHBondContact O-N 2.87Å; Y431-S433 PolarHBondContact O-N 3.1Å; Y431-L453 HydrophobicContact CD1-CB 4.05Å; Y431-L453 HydrophobicContact CD1-CD1 4.14Å; Y431-L453 HydrophobicContact CE1-CB 4.18Å; Y431-I454 HydrophobicContact CD1-CG1 4.3Å; Y431-I454 HydrophobicContact CE1-CG1 3.99Å; Y431-E457 WeakPolarHBondContact CE1-OE2 3.43Å; Y431-E457 PolarHBondContact OH-OE1 3.21Å; Y431-E457 VanDerWaalsContact OH-OE1 3.04Å; Y431-E457 PolarHBondContact OH-OE2 3.22Å; Y431-R468 PolarHBondContact OH-NH2 3.27Å
432M91.4Very high70.6Confident47 Ų4768.4 Ų68.423%0.23236%0.362CS..  trans-69127.4-174.3-170155.769.600110.4Y429 Q436 E437 R476Y429-M432 HydrophobicContact CD2-CE 3.28Å; Y429-M432 HydrophobicContact CE2-CE 3.21Å; Y429-M432 HydrophobicContact CG-CE 4.22Å; Y429-M432 WeakPolarHBondContact O-CB 3.46Å; Y429-M432 PolarHBondContact O-N 3.35Å; Y429-M432 VanDerWaalsContact O-N 3.11Å; M432-Q436 HydrophobicContact CG-CB 3.29Å; M432-Q436 HydrophobicContact CG-CG 4.24Å; M432-Q436 HydrophobicContact SD-CB 3.88Å; M432-E437 HydrophobicContact CE-CB 4.28Å; M432-E437 HydrophobicContact CE-CG 3.63Å; M432-E437 HydrophobicContact CG-CG 4.27Å; M432-R476 PolarHBondContact O-NH1 3.42Å; M432-R476 PolarHBondContact O-NH2 3.05Å
433S92.1Very high73.5Confident0 Ų062.3 Ų62.30%034%0.338CS..  trans-65.4153.7176.461.50000111.7Y431 E435 Q436 E437 V446Y431-S433 PolarHBondContact O-N 3.1Å; S433-E435 WeakPolarHBondContact CB-OE2 3.38Å; S433-E435 PolarHBondContact O-N 3.45Å; S433-E435 VanDerWaalsContact OG-CD 3.24Å; S433-E435 PolarHBondContact OG-OE1 3.14Å; S433-E435 PolarHBondContact OG-OE2 2.92Å; S433-Q436 WeakPolarHBondContact O-CB 3.36Å; S433-Q436 PolarHBondContact O-N 3.13Å; S433-Q436 VanDerWaalsContact OG-CG 3.25Å; S433-Q436 WeakPolarHBondContact OG-CG 3.04Å; S433-Q436 PolarHBondContact OG-OE1 3.49Å; S433-E437 PolarHBondContact O-N 3.02Å; S433-V446 WeakPolarHBondContact OG-CG1 3.45Å
434P92.2Very high76.3Confident25 Ų2561.2 Ų61.216%0.16233%0.325CS..Hα-helixtrans-53.8-40.3179.3-27.335.5000113.3Q436 E437 T438 Y449P434-Q436 VanDerWaalsContact C-N 3.32Å; P434-Q436 PolarHBondContact O-N 2.86Å; P434-E437 WeakPolarHBondContact O-CB 3.49Å; P434-E437 PolarHBondContact O-N 2.78Å; P434-E437 VanDerWaalsContact O-N 3.14Å; P434-T438 PolarHBondContact O-N 3.41Å; P434-Y449 HydrophobicContact CG-CE2 4.28Å
435E89.9Confident79.3Confident20 Ų2056.6 Ų56.69%0.09330%0.303CS..Hα-helixtrans-67.5-30.8178.866.1-88.2-152.100113.1S433 E437 T438 K439 V446 P502 R505S433-E435 WeakPolarHBondContact CB-OE2 3.38Å; S433-E435 PolarHBondContact O-N 3.45Å; S433-E435 VanDerWaalsContact OG-CD 3.24Å; S433-E435 PolarHBondContact OG-OE1 3.14Å; S433-E435 PolarHBondContact OG-OE2 2.92Å; E435-E437 VanDerWaalsContact C-N 3.32Å; E435-T438 PolarHBondContact O-N 3.15Å; E435-T438 PolarHBondContact O-OG1 3.32Å; E435-K439 PolarHBondContact O-N 3.23Å; E435-V446 HydrophobicContact CG-CG1 4.09Å; E435-P502 HydrophobicContact CG-CG 4.24Å; E435-P502 WeakPolarHBondContact OE1-CG 2.96Å; E435-R505 IonicContact OE1-CZ 3.31Å; E435-R505 IonicContact OE1-NH1 3.96Å; E435-R505 PolarHBondContact OE1-NH1 3.14Å; E435-R505 IonicContact OE1-NH2 3.97Å; E435-R505 PolarHBondContact OE1-NH2 3.24Å; E435-R505 IonicContact OE2-CZ 2.67Å; E435-R505 IonicContact OE2-NH1 3.71Å; E435-R505 PolarHBondContact OE2-NH1 3.5Å; E435-R505 IonicContact OE2-NH2 3.94Å; E435-R505 PolarHBondContact OE2-NH2 3.34Å
436Q87.4Confident82.1Confident25 Ų2552.2 Ų52.212%0.11728%0.279CS..Hα-helixtrans-67-34.6172.4-76.8172.2-70.700111.5R374 M432 S433 P434 T438 K439 Y442 V446R374-Q436 PolarHBondContact O-NE2 3.31Å; M432-Q436 HydrophobicContact CG-CB 3.29Å; M432-Q436 HydrophobicContact CG-CG 4.24Å; M432-Q436 HydrophobicContact SD-CB 3.88Å; S433-Q436 WeakPolarHBondContact O-CB 3.36Å; S433-Q436 PolarHBondContact O-N 3.13Å; S433-Q436 VanDerWaalsContact OG-CG 3.25Å; S433-Q436 WeakPolarHBondContact OG-CG 3.04Å; S433-Q436 PolarHBondContact OG-OE1 3.49Å; P434-Q436 VanDerWaalsContact C-N 3.32Å; P434-Q436 PolarHBondContact O-N 2.86Å; Q436-T438 VanDerWaalsContact C-N 3.34Å; Q436-K439 PolarHBondContact O-N 2.97Å; Q436-Y442 HydrophobicContact CG-CD1 4.06Å; Q436-Y442 HydrophobicContact CG-CE1 4.29Å; Q436-Y442 HydrophobicContact CG-CG 4.29Å; Q436-V446 HydrophobicContact CG-CB 4.07Å; Q436-V446 HydrophobicContact CG-CG1 3.68Å
437E86Confident85Confident66 Ų6648.8 Ų48.831%0.30826%0.258SS..Hα-helixtrans-65.2-39176.2-57.1-176.5170.500111.9Y429 M432 S433 P434 E435 K439 R476Y429-E437 HydrophobicContact CE1-CG 4.44Å; Y429-E437 WeakPolarHBondContact CE1-OE1 3.29Å; Y429-E437 HydrophobicContact CE2-CG 4.11Å; Y429-E437 WeakPolarHBondContact OH-CG 3.32Å; Y429-E437 PolarHBondContact OH-OE1 3.28Å; Y429-E437 PolarHBondContact OH-OE2 3.12Å; M432-E437 HydrophobicContact CE-CB 4.28Å; M432-E437 HydrophobicContact CE-CG 3.63Å; M432-E437 HydrophobicContact CG-CG 4.27Å; S433-E437 PolarHBondContact O-N 3.02Å; P434-E437 WeakPolarHBondContact O-CB 3.49Å; P434-E437 PolarHBondContact O-N 2.78Å; P434-E437 VanDerWaalsContact O-N 3.14Å; E435-E437 VanDerWaalsContact C-N 3.32Å; E437-K439 PolarHBondContact O-N 3.26Å; E437-R476 IonicContact OE1-CZ 3.92Å; E437-R476 IonicContact OE1-NH2 3.63Å; E437-R476 PolarHBondContact OE1-NH2 3.37Å
438T84.6Confident87.2Confident106 Ų10647.5 Ų47.565%0.6525%0.246SC*.THydrogen-bonded Turntrans-69.7-8177.465.60000113.6P434 E435 Q436 G440P434-T438 PolarHBondContact O-N 3.41Å; E435-T438 PolarHBondContact O-N 3.15Å; E435-T438 PolarHBondContact O-OG1 3.32Å; Q436-T438 VanDerWaalsContact C-N 3.34Å; T438-G440 PolarHBondContact O-N 3.08Å; T438-G440 VanDerWaalsContact O-N 3.14Å
439K77.2Confident88.9Confident169 Ų16944.8 Ų44.874%0.73523%0.229SC*.THydrogen-bonded Turntrans5622.1-175.8-56.3-178.5-179.2179.30113.9E435 Q436 E437E435-K439 PolarHBondContact O-N 3.23Å; Q436-K439 PolarHBondContact O-N 2.97Å; E437-K439 PolarHBondContact O-N 3.26Å
440G76Confident89.7Confident25 Ų2539.6 Ų39.626%0.25821%0.209SC..  trans-75.9177.3173.900000112.6T438 Y442T438-G440 PolarHBondContact O-N 3.08Å; T438-G440 VanDerWaalsContact O-N 3.14Å; G440-Y442 VanDerWaalsContact O-CD1 3.27Å; G440-Y442 WeakPolarHBondContact O-CD1 3.24Å
441P79.4Confident90.2Very high103 Ų10339.3 Ų39.367%0.66921%0.208SC*.  trans-63139.3167.429.1-33.7000109.6
442Y85.2Confident90.4Very high58 Ų5838.7 Ų38.723%0.22721%0.205CC..  trans-140.8163.6178.154.6-103.8000110.6R374 Q436 G440 V446R374-Y442 WeakPolarHBondContact CD-OH 3.35Å; R374-Y442 HydrophobicContact CG-CE2 4.03Å; R374-Y442 PolarHBondContact NH1-OH 3.19Å; Q436-Y442 HydrophobicContact CG-CD1 4.06Å; Q436-Y442 HydrophobicContact CG-CE1 4.29Å; Q436-Y442 HydrophobicContact CG-CG 4.29Å; G440-Y442 VanDerWaalsContact O-CD1 3.27Å; G440-Y442 WeakPolarHBondContact O-CD1 3.24Å; Y442-V446 HydrophobicContact CD2-CG1 3.73Å; Y442-V446 HydrophobicContact CD2-CG2 4.3Å; Y442-V446 HydrophobicContact CG-CG1 3.75Å
443T90.1Very high90.7Very high59 Ų5936.4 Ų36.436%0.36219%0.194SC..  trans-116-174.3-176.266.50000110.6K445 V446T443-K445 PolarHBondContact O-N 3.47Å; T443-K445 WeakPolarHBondContact OG1-CB 3.48Å; T443-K445 VanDerWaalsContact OG1-CG 3.26Å; T443-K445 WeakPolarHBondContact OG1-CG 3.3Å; T443-K445 PolarHBondContact OG1-N 3.08Å; T443-V446 WeakPolarHBondContact O-CG1 3.29Å; T443-V446 WeakPolarHBondContact O-CG2 3.4Å; T443-V446 PolarHBondContact O-N 3.12Å
444F92.7Very high91Very high74 Ų7436.4 Ų36.433%0.32519%0.194SC..THydrogen-bonded Turntrans-56.4-13.617362.8-95.3000114.2H367 I372 V446 D447H367-F444 PolarHBondContact CE1-O 3.4Å; H367-F444 AromaticContact ND1-CD2 3.74Å; I372-F444 HydrophobicContact CG1-CB 4.22Å; F444-V446 PolarHBondContact O-N 3.3Å; F444-D447 PolarHBondContact O-N 3.45Å; F444-D447 VanDerWaalsContact O-N 3.14Å
445K96Very high91.3Very high28 Ų2835.3 Ų35.312%0.12219%0.187CC..Hα-helixtrans-62.1-18.3176.5-63.6-64.7-172.2167.40114.4T443 D447 I448 Y449 P502 R505 P506T443-K445 PolarHBondContact O-N 3.47Å; T443-K445 WeakPolarHBondContact OG1-CB 3.48Å; T443-K445 VanDerWaalsContact OG1-CG 3.26Å; T443-K445 WeakPolarHBondContact OG1-CG 3.3Å; T443-K445 PolarHBondContact OG1-N 3.08Å; K445-D447 VanDerWaalsContact C-N 3.3Å; K445-I448 HydrophobicContact CD-CG1 4.25Å; K445-I448 WeakPolarHBondContact O-CB 3.31Å; K445-I448 PolarHBondContact O-N 2.92Å; K445-Y449 PolarHBondContact O-N 3.39Å; K445-P502 HydrophobicContact CB-CB 3.92Å; K445-P502 WeakPolarHBondContact CD-O 3.47Å; K445-P502 HydrophobicContact CG-CB 4.3Å; K445-P502 WeakPolarHBondContact CG-O 3.34Å; K445-R505 HydrophobicContact CD-CB 4.19Å; K445-R505 PolarHBondContact NZ-O 2.87Å; K445-R505 PolarHBondContact O-NH1 3.48Å; K445-P506 PolarHBondContact NZ-O 3.42Å
446V94.8Very high91.6Very high1 Ų134.3 Ų34.31%0.00618%0.182CC..Hα-helixtrans-63.3-38.9173.3-56.90000111.5I372 S433 E435 Q436 Y442 T443 F444 I448 Y449 A450I372-V446 HydrophobicContact CG2-CG2 3.45Å; I372-V446 VanDerWaalsContact CG2-CG2 3.45Å; S433-V446 WeakPolarHBondContact OG-CG1 3.45Å; E435-V446 HydrophobicContact CG-CG1 4.09Å; Q436-V446 HydrophobicContact CG-CB 4.07Å; Q436-V446 HydrophobicContact CG-CG1 3.68Å; Y442-V446 HydrophobicContact CD2-CG1 3.73Å; Y442-V446 HydrophobicContact CD2-CG2 4.3Å; Y442-V446 HydrophobicContact CG-CG1 3.75Å; T443-V446 WeakPolarHBondContact O-CG1 3.29Å; T443-V446 WeakPolarHBondContact O-CG2 3.4Å; T443-V446 PolarHBondContact O-N 3.12Å; F444-V446 PolarHBondContact O-N 3.3Å; V446-I448 VanDerWaalsContact C-N 3.3Å; V446-I448 PolarHBondContact O-N 3.32Å; V446-Y449 WeakPolarHBondContact O-CB 3.38Å; V446-Y449 PolarHBondContact O-N 3.08Å; V446-A450 PolarHBondContact O-N 3.22Å
447D96Very high92Very high2 Ų233.2 Ų33.21%0.01118%0.177CC..Hα-helixtrans-71.2-30.5178.2-59-32.1000110.8M363 H367 I372 H373 R374 F444 K445 Y449 A450 L451M363-D447 HydrophobicContact CE-CB 3.7Å; M363-D447 WeakPolarHBondContact CE-OD2 3.46Å; H367-D447 IonicContact CD2-OD2 3.76Å; H367-D447 IonicContact CE1-OD2 3.38Å; H367-D447 IonicContact NE2-OD2 2.81Å; H367-D447 PolarHBondContact NE2-OD2 3.17Å; I372-D447 WeakPolarHBondContact CG2-OD2 3.38Å; H373-D447 PolarHBondContact N-OD1 2.84Å; H373-D447 PolarHBondContact N-OD2 2.86Å; R374-D447 PolarHBondContact N-OD1 3.08Å; F444-D447 PolarHBondContact O-N 3.45Å; F444-D447 VanDerWaalsContact O-N 3.14Å; K445-D447 VanDerWaalsContact C-N 3.3Å; D447-Y449 VanDerWaalsContact C-N 3.31Å; D447-Y449 PolarHBondContact O-N 3.38Å; D447-A450 PolarHBondContact O-N 3.39Å; D447-L451 VanDerWaalsContact O-CG 3.32Å; D447-L451 WeakPolarHBondContact O-CG 3.44Å; D447-L451 PolarHBondContact O-N 3.28Å
448I98Very high92.6Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-64.5-37.1175.4-53.7-59.4000111.5K445 V446 L451 G452 T497 R505 P506 C508 I511K445-I448 HydrophobicContact CD-CG1 4.25Å; K445-I448 WeakPolarHBondContact O-CB 3.31Å; K445-I448 PolarHBondContact O-N 2.92Å; V446-I448 VanDerWaalsContact C-N 3.3Å; V446-I448 PolarHBondContact O-N 3.32Å; I448-L451 HydrophobicContact CD1-CD1 4.04Å; I448-L451 PolarHBondContact O-N 3.03Å; I448-G452 PolarHBondContact O-N 3.21Å; I448-G452 VanDerWaalsContact O-N 3.14Å; I448-T497 HydrophobicContact CG2-CG2 4.07Å; I448-R505 HydrophobicContact CB-CB 4.47Å; I448-R505 HydrophobicContact CG2-CB 3.94Å; I448-P506 HydrophobicContact CG2-CG 4.31Å; I448-C508 WeakPolarHBondContact CD1-SG 3.34Å; I448-I511 HydrophobicContact CD1-CD1 4.25Å; I448-I511 HydrophobicContact CG2-CD1 4.14Å
449Y97.5Very high93.1Very high0 Ų025.8 Ų25.80%014%0.136CC..Hα-helixtrans-62.9-47.5174.1-170.3-89.7000111.2P434 K445 V446 D447 L451 G452 L453 R476 T497 L498P434-Y449 HydrophobicContact CG-CE2 4.28Å; K445-Y449 PolarHBondContact O-N 3.39Å; V446-Y449 WeakPolarHBondContact O-CB 3.38Å; V446-Y449 PolarHBondContact O-N 3.08Å; D447-Y449 VanDerWaalsContact C-N 3.31Å; D447-Y449 PolarHBondContact O-N 3.38Å; Y449-L451 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 2.76Å; Y449-G452 PolarHBondContact O-N 3.35Å; Y449-G452 VanDerWaalsContact O-N 3.14Å; Y449-L453 HydrophobicContact CD1-CD1 4.04Å; Y449-L453 HydrophobicContact CE1-CD1 3.75Å; Y449-L453 HydrophobicContact CE1-CG 4.37Å; Y449-L453 PolarHBondContact O-N 3.24Å; Y449-R476 WeakPolarHBondContact OH-CG 3.47Å; Y449-T497 WeakPolarHBondContact CA-O 3.31Å; Y449-L498 HydrophobicContact CD1-CD2 4.47Å; Y449-L498 HydrophobicContact CD2-CD2 4.13Å; Y449-L498 HydrophobicContact CE1-CD2 4.4Å; Y449-L498 HydrophobicContact CE2-CB 4.21Å; Y449-L498 HydrophobicContact CE2-CD2 4.07Å; Y449-L498 WeakPolarHBondContact CE2-O 3.49Å; Y449-L498 HydrophobicContact CG-CD2 4.34Å; Y449-L498 WeakPolarHBondContact O-CD2 3.44Å
450A96.8Very high93.9Very high4 Ų418.7 Ų18.73%0.03311%0.106CC..Hα-helixtrans-60.5-40.8175.900000112.4L376 V446 D447 G452 L453 I454L376-A450 HydrophobicContact CB-CB 3.99Å; L376-A450 HydrophobicContact CD2-CB 4.34Å; L376-A450 HydrophobicContact CG-CB 4.45Å; L376-A450 WeakPolarHBondContact O-CB 3.37Å; V446-A450 PolarHBondContact O-N 3.22Å; D447-A450 PolarHBondContact O-N 3.39Å; A450-G452 VanDerWaalsContact C-N 3.29Å; A450-G452 PolarHBondContact O-N 2.66Å; A450-L453 PolarHBondContact O-N 3.28Å; A450-L453 VanDerWaalsContact O-N 3.16Å; A450-I454 VanDerWaalsContact O-CG1 3.29Å; A450-I454 WeakPolarHBondContact O-CG1 3.42Å; A450-I454 PolarHBondContact O-N 3Å
451L98.2Very high94.8Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-57.4-40.3173.9-74.1173.2000112.3F356 I359 V360 M363 L376 D447 I448 Y449 L453 I454 F455 I511F356-L451 HydrophobicContact CE2-CB 4.35Å; F356-L451 HydrophobicContact CE2-CD2 4.22Å; F356-L451 WeakPolarHBondContact CE2-O 3.17Å; F356-L451 HydrophobicContact CZ-CB 4.34Å; I359-L451 HydrophobicContact CG2-CD2 3.51Å; V360-L451 HydrophobicContact CG2-CD1 4.34Å; V360-L451 HydrophobicContact CG2-CD2 4.31Å; M363-L451 HydrophobicContact CB-CD1 4.36Å; M363-L451 HydrophobicContact CG-CD1 4.47Å; M363-L451 HydrophobicContact CG-CD2 4.33Å; L376-L451 HydrophobicContact CD2-CD2 3.64Å; L376-L451 HydrophobicContact CD2-CG 3.78Å; D447-L451 VanDerWaalsContact O-CG 3.32Å; D447-L451 WeakPolarHBondContact O-CG 3.44Å; D447-L451 PolarHBondContact O-N 3.28Å; I448-L451 HydrophobicContact CD1-CD1 4.04Å; I448-L451 PolarHBondContact O-N 3.03Å; Y449-L451 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 2.76Å; L451-L453 VanDerWaalsContact C-N 3.33Å; L451-L453 PolarHBondContact O-N 2.86Å; L451-I454 PolarHBondContact O-N 2.95Å; L451-F455 WeakPolarHBondContact O-CB 3.32Å; L451-F455 PolarHBondContact O-N 3.14Å; L451-I511 HydrophobicContact CD1-CD1 4.45Å
452G97.9Very high95.5Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-60.7-40.5176.400000113I448 Y449 A450 V456 T497I448-G452 PolarHBondContact O-N 3.21Å; I448-G452 VanDerWaalsContact O-N 3.14Å; Y449-G452 PolarHBondContact O-N 3.35Å; Y449-G452 VanDerWaalsContact O-N 3.14Å; A450-G452 VanDerWaalsContact C-N 3.29Å; A450-G452 PolarHBondContact O-N 2.66Å; G452-V456 PolarHBondContact O-N 3Å; G452-T497 WeakPolarHBondContact CA-OG1 3.32Å
453L97.5Very high95.8Very high0 Ų016.3 Ų16.30%010%0.097CC..Hα-helixtrans-70.8-44.5177.3-63.5171.6000111.7L430 Y431 Y449 A450 L451 F455 V456 E457 L472 L475 L498L430-L453 WeakPolarHBondContact O-CD1 3.38Å; Y431-L453 HydrophobicContact CD1-CB 4.05Å; Y431-L453 HydrophobicContact CD1-CD1 4.14Å; Y431-L453 HydrophobicContact CE1-CB 4.18Å; Y449-L453 HydrophobicContact CD1-CD1 4.04Å; Y449-L453 HydrophobicContact CE1-CD1 3.75Å; Y449-L453 HydrophobicContact CE1-CG 4.37Å; Y449-L453 PolarHBondContact O-N 3.24Å; A450-L453 PolarHBondContact O-N 3.28Å; A450-L453 VanDerWaalsContact O-N 3.16Å; L451-L453 VanDerWaalsContact C-N 3.33Å; L451-L453 PolarHBondContact O-N 2.86Å; L453-F455 VanDerWaalsContact C-N 3.28Å; L453-F455 PolarHBondContact O-N 3.17Å; L453-V456 PolarHBondContact O-N 3.37Å; L453-V456 VanDerWaalsContact O-N 3.17Å; L453-E457 PolarHBondContact O-N 2.93Å; L453-L472 HydrophobicContact CB-CD2 4.19Å; L453-L472 HydrophobicContact CD2-CD2 4.03Å; L453-L475 HydrophobicContact CD2-CB 4.15Å; L453-L475 HydrophobicContact CD2-CD1 4.44Å; L453-L498 HydrophobicContact CD2-CD1 3.96Å; L453-L498 HydrophobicContact CD2-CD2 3.81Å; L453-L498 HydrophobicContact CG-CD2 3.77Å
454I97.6Very high95.9Very high0 Ų016.7 Ų16.70%010%0.099CC..Hα-helixtrans-60.4-40.2177.2-67.3167000110.7L336 I359 L376 P378 I381 Y431 A450 L451 V456 E457 L458L336-I454 HydrophobicContact CD2-CG2 4.22Å; I359-I454 HydrophobicContact CD1-CG2 4.27Å; L376-I454 HydrophobicContact CD2-CD1 4.14Å; L376-I454 HydrophobicContact CG-CD1 3.78Å; P378-I454 HydrophobicContact CG-CG1 4.27Å; I381-I454 HydrophobicContact CD1-CD1 3.98Å; I381-I454 HydrophobicContact CD1-CG2 4.32Å; Y431-I454 HydrophobicContact CD1-CG1 4.3Å; Y431-I454 HydrophobicContact CE1-CG1 3.99Å; A450-I454 VanDerWaalsContact O-CG1 3.29Å; A450-I454 WeakPolarHBondContact O-CG1 3.42Å; A450-I454 PolarHBondContact O-N 3Å; L451-I454 PolarHBondContact O-N 2.95Å; I454-V456 PolarHBondContact O-N 3.41Å; I454-E457 PolarHBondContact O-N 3.22Å; I454-L458 HydrophobicContact CG2-CD1 4.14Å; I454-L458 HydrophobicContact CG2-CG 4.47Å; I454-L458 WeakPolarHBondContact O-CG 3.26Å; I454-L458 PolarHBondContact O-N 2.89Å
455F98Very high95.7Very high1 Ų117.5 Ų17.50%0.00410%0.104CC..Hα-helixtrans-57.4-48.6174.6172.6-100.9000112.1L353 F356 L451 L453 E457 L458 V459 I484 M490 F493 V494 L516L353-F455 HydrophobicContact CD2-CE2 3.91Å; F356-F455 AromaticContact CD1-CD2 3.73Å; F356-F455 HydrophobicContact CD1-CD2 3.73Å; F356-F455 HydrophobicContact CD1-CE2 4.47Å; F356-F455 HydrophobicContact CD2-CB 4.07Å; F356-F455 HydrophobicContact CD2-CD2 4.31Å; F356-F455 HydrophobicContact CE1-CB 4.27Å; F356-F455 AromaticContact CE1-CD2 3.9Å; F356-F455 HydrophobicContact CE1-CD2 3.9Å; F356-F455 HydrophobicContact CE1-CG 4.39Å; F356-F455 HydrophobicContact CE2-CB 3.67Å; F356-F455 HydrophobicContact CE2-CD2 4.47Å; F356-F455 AromaticContact CG-CD2 3.97Å; F356-F455 HydrophobicContact CG-CD2 3.97Å; F356-F455 HydrophobicContact CZ-CB 3.8Å; F356-F455 HydrophobicContact CZ-CD2 4.29Å; F356-F455 HydrophobicContact CZ-CG 4.4Å; L451-F455 WeakPolarHBondContact O-CB 3.32Å; L451-F455 PolarHBondContact O-N 3.14Å; L453-F455 VanDerWaalsContact C-N 3.28Å; L453-F455 PolarHBondContact O-N 3.17Å; F455-E457 VanDerWaalsContact C-N 3.28Å; F455-E457 PolarHBondContact O-N 3.07Å; F455-L458 WeakPolarHBondContact O-CB 3.28Å; F455-L458 PolarHBondContact O-N 3.38Å; F455-V459 HydrophobicContact CD2-CG2 4.26Å; F455-V459 HydrophobicContact CE1-CG2 4.21Å; F455-V459 HydrophobicContact CE2-CG2 3.74Å; F455-V459 HydrophobicContact CZ-CG2 3.7Å; F455-V459 WeakPolarHBondContact O-CG2 3.38Å; F455-V459 PolarHBondContact O-N 3.48Å; F455-V459 VanDerWaalsContact O-N 3.1Å; F455-I484 HydrophobicContact CE1-CD1 4.27Å; F455-M490 HydrophobicContact CE1-CB 4.35Å; F455-M490 HydrophobicContact CE1-CG 4.31Å; F455-M490 HydrophobicContact CE1-SD 4.43Å; F455-M490 HydrophobicContact CZ-CB 4.48Å; F455-M490 HydrophobicContact CZ-CG 3.96Å; F455-M490 HydrophobicContact CZ-SD 4.04Å; F455-F493 HydrophobicContact CB-CE1 3.66Å; F455-F493 HydrophobicContact CB-CZ 4.39Å; F455-F493 AromaticContact CD1-CD1 3.6Å; F455-F493 HydrophobicContact CD1-CD1 3.6Å; F455-F493 AromaticContact CD1-CE1 3.52Å; F455-F493 HydrophobicContact CD1-CE1 3.52Å; F455-F493 HydrophobicContact CD2-CD1 4.48Å; F455-F493 HydrophobicContact CD2-CE1 4.05Å; F455-F493 AromaticContact CE1-CD1 3.83Å; F455-F493 HydrophobicContact CE1-CD1 3.83Å; F455-F493 HydrophobicContact CE1-CE1 4.18Å; F455-F493 AromaticContact CG-CD1 3.96Å; F455-F493 HydrophobicContact CG-CD1 3.96Å; F455-F493 AromaticContact CG-CE1 3.44Å; F455-F493 HydrophobicContact CG-CE1 3.44Å; F455-F493 VanDerWaalsContact CG-CE1 3.44Å; F455-F493 HydrophobicContact CG-CZ 4.41Å; F455-F493 HydrophobicContact CZ-CD1 4.38Å; F455-V494 HydrophobicContact CD1-CG2 3.79Å; F455-V494 HydrophobicContact CE1-CG2 3.93Å; F455-L516 HydrophobicContact CD2-CD2 4.22Å; F455-L516 HydrophobicContact CE1-CD1 4.42Å; F455-L516 HydrophobicContact CE2-CD1 3.82Å; F455-L516 HydrophobicContact CE2-CD2 3.85Å; F455-L516 HydrophobicContact CE2-CG 4.31Å; F455-L516 HydrophobicContact CZ-CD1 3.57Å; F455-L516 HydrophobicContact CZ-CD2 4.32Å
456V97Very high95.5Very high0 Ų021.7 Ų21.70%013%0.125CC..Hα-helixtrans-64-38179.5179.40000110.9G452 L453 I454 L458 V459 I460 L475 I484 V494G452-V456 PolarHBondContact O-N 3Å; L453-V456 PolarHBondContact O-N 3.37Å; L453-V456 VanDerWaalsContact O-N 3.17Å; I454-V456 PolarHBondContact O-N 3.41Å; V456-L458 VanDerWaalsContact C-N 3.34Å; V456-L458 PolarHBondContact O-N 3.03Å; V456-V459 PolarHBondContact O-N 2.95Å; V456-I460 HydrophobicContact CG1-CD1 3.49Å; V456-I460 VanDerWaalsContact CG1-CD1 3.49Å; V456-I460 HydrophobicContact CG1-CG1 4Å; V456-I460 WeakPolarHBondContact O-CB 3.5Å; V456-I460 PolarHBondContact O-N 3.18Å; V456-L475 HydrophobicContact CB-CD1 3.9Å; V456-L475 HydrophobicContact CG1-CD1 3.61Å; V456-L475 HydrophobicContact CG2-CD1 4.05Å; V456-L475 HydrophobicContact CG2-CD2 4.33Å; V456-I484 HydrophobicContact CG1-CG1 4.47Å; V456-I484 HydrophobicContact CG2-CD1 4.38Å; V456-I484 HydrophobicContact CG2-CG1 4.48Å; V456-V494 HydrophobicContact CG2-CG1 4.02Å; V456-V494 HydrophobicContact CG2-CG2 3.66Å
457E96.3Very high95.4Very high2 Ų225.9 Ų25.91%0.00915%0.145CC..Hα-helixtrans-66.3-32.2175.1-75.1-178.392.600114.3L340 R347 Y431 L453 I454 F455 F462 R468 L472L340-E457 HydrophobicContact CD1-CB 4.23Å; L340-E457 WeakPolarHBondContact CD2-O 3.42Å; R347-E457 PolarHBondContact NH1-O 3.13Å; Y431-E457 WeakPolarHBondContact CE1-OE2 3.43Å; Y431-E457 PolarHBondContact OH-OE1 3.21Å; Y431-E457 VanDerWaalsContact OH-OE1 3.04Å; Y431-E457 PolarHBondContact OH-OE2 3.22Å; L453-E457 PolarHBondContact O-N 2.93Å; I454-E457 PolarHBondContact O-N 3.22Å; F455-E457 VanDerWaalsContact C-N 3.28Å; F455-E457 PolarHBondContact O-N 3.07Å; E457-F462 HydrophobicContact CG-CE2 4.13Å; E457-R468 IonicContact OE1-CZ 2.68Å; E457-R468 IonicContact OE1-NE 3.47Å; E457-R468 PolarHBondContact OE1-NE 3.29Å; E457-R468 IonicContact OE1-NH2 3.42Å; E457-R468 PolarHBondContact OE1-NH2 2.96Å; E457-R468 IonicContact OE2-NH2 2.79Å; E457-L472 HydrophobicContact CG-CD1 4.41Å; E457-L472 HydrophobicContact CG-CD2 3.96Å
458L97Very high95.3Very high1 Ų126.7 Ų26.71%0.00515%0.148CC..Hα-helixtrans-66.3-47.1173.7-74.7166000110.5L336 L340 R347 M352 W355 F356 I359 I454 F455 V456L336-L458 HydrophobicContact CD1-CD2 3.77Å; L336-L458 HydrophobicContact CD2-CD2 4.15Å; L336-L458 HydrophobicContact CG-CD2 4.49Å; L340-L458 HydrophobicContact CD2-CD2 4.4Å; R347-L458 WeakPolarHBondContact CD-O 3.45Å; R347-L458 PolarHBondContact NH1-O 3.17Å; M352-L458 HydrophobicContact CB-CB 4.26Å; M352-L458 HydrophobicContact SD-CB 4.21Å; M352-L458 HydrophobicContact SD-CD2 3.83Å; W355-L458 HydrophobicContact CE3-CD2 4.17Å; F356-L458 HydrophobicContact CB-CD1 3.81Å; F356-L458 HydrophobicContact CD2-CD1 3.85Å; F356-L458 HydrophobicContact CG-CD1 4.25Å; I359-L458 HydrophobicContact CD1-CD1 4.4Å; I454-L458 HydrophobicContact CG2-CD1 4.14Å; I454-L458 HydrophobicContact CG2-CG 4.47Å; I454-L458 WeakPolarHBondContact O-CG 3.26Å; I454-L458 PolarHBondContact O-N 2.89Å; F455-L458 WeakPolarHBondContact O-CB 3.28Å; F455-L458 PolarHBondContact O-N 3.38Å; V456-L458 VanDerWaalsContact C-N 3.34Å; V456-L458 PolarHBondContact O-N 3.03Å
459V95.1Very high95.1Very high15 Ų1528.8 Ų28.89%0.09116%0.158CC..Hα-helixtrans-78-33.3-173.1178.40000113.1L349 F455 V456 P461 L483 I484 M490L349-V459 HydrophobicContact CD1-CG1 4.25Å; L349-V459 HydrophobicContact CD1-CG2 4.01Å; F455-V459 HydrophobicContact CD2-CG2 4.26Å; F455-V459 HydrophobicContact CE1-CG2 4.21Å; F455-V459 HydrophobicContact CE2-CG2 3.74Å; F455-V459 HydrophobicContact CZ-CG2 3.7Å; F455-V459 WeakPolarHBondContact O-CG2 3.38Å; F455-V459 PolarHBondContact O-N 3.48Å; F455-V459 VanDerWaalsContact O-N 3.1Å; V456-V459 PolarHBondContact O-N 2.95Å; V459-P461 WeakPolarHBondContact O-CD 3.45Å; V459-L483 HydrophobicContact CG1-CD2 4.03Å; V459-I484 HydrophobicContact CG1-CD1 4.47Å; V459-M490 HydrophobicContact CG1-SD 3.98Å
460I94.8Very high94.9Very high20 Ų2031.9 Ų31.910%0.10317%0.174CC..SBendtrans-100.1114.7-179.2-57.9-176.5000109.9R347 V456 F462 P481 L483 I484R347-I460 PolarHBondContact NH1-O 3.24Å; R347-I460 VanDerWaalsContact NH1-O 3.13Å; V456-I460 HydrophobicContact CG1-CD1 3.49Å; V456-I460 VanDerWaalsContact CG1-CD1 3.49Å; V456-I460 HydrophobicContact CG1-CG1 4Å; V456-I460 WeakPolarHBondContact O-CB 3.5Å; V456-I460 PolarHBondContact O-N 3.18Å; I460-F462 HydrophobicContact CB-CE1 4.32Å; I460-F462 HydrophobicContact CB-CE2 4.29Å; I460-F462 HydrophobicContact CB-CZ 3.9Å; I460-F462 HydrophobicContact CG2-CD1 4.13Å; I460-F462 HydrophobicContact CG2-CE1 3.57Å; I460-F462 HydrophobicContact CG2-CE2 4.31Å; I460-F462 HydrophobicContact CG2-CZ 3.68Å; I460-F462 WeakPolarHBondContact O-CD2 3.32Å; I460-F462 WeakPolarHBondContact O-CE2 3.49Å; I460-P481 HydrophobicContact CD1-CB 3.49Å; I460-P481 VanDerWaalsContact CD1-CB 3.49Å; I460-P481 HydrophobicContact CD1-CG 3.57Å; I460-L483 HydrophobicContact CG1-CD2 4.12Å; I460-I484 HydrophobicContact CD1-CG1 4.21Å
461P94.8Very high94.8Very high48 Ų4833 Ų3331%0.31218%0.181SC..  trans-73.2135.8168.131.9-34.3000110.5T344 E345 V459T344-P461 WeakPolarHBondContact O-CB 3.36Å; E345-P461 WeakPolarHBondContact O-CB 3.29Å; E345-P461 WeakPolarHBondContact O-CG 3.49Å; V459-P461 WeakPolarHBondContact O-CD 3.45Å
462F93.6Very high94.7Very high19 Ų1933 Ų338%0.08318%0.181CC..  trans-114.3130.2176.4-60.6-71.3000108.9T344 E457 I460 T464 E467 R468 T471T344-F462 VanDerWaalsContact CB-O 3.27Å; T344-F462 WeakPolarHBondContact CB-O 3.43Å; T344-F462 WeakPolarHBondContact CG2-O 3.09Å; E457-F462 HydrophobicContact CG-CE2 4.13Å; I460-F462 HydrophobicContact CB-CE1 4.32Å; I460-F462 HydrophobicContact CB-CE2 4.29Å; I460-F462 HydrophobicContact CB-CZ 3.9Å; I460-F462 HydrophobicContact CG2-CD1 4.13Å; I460-F462 HydrophobicContact CG2-CE1 3.57Å; I460-F462 HydrophobicContact CG2-CE2 4.31Å; I460-F462 HydrophobicContact CG2-CZ 3.68Å; I460-F462 WeakPolarHBondContact O-CD2 3.32Å; I460-F462 WeakPolarHBondContact O-CE2 3.49Å; F462-T464 VanDerWaalsContact C-N 3.34Å; F462-E467 HydrophobicContact CD1-CB 4.16Å; F462-R468 HydrophobicContact CB-CB 3.98Å; F462-R468 HydrophobicContact CD1-CB 4.18Å; F462-R468 HydrophobicContact CD2-CB 3.76Å; F462-R468 HydrophobicContact CD2-CG 3.83Å; F462-R468 HydrophobicContact CE2-CB 4.29Å; F462-R468 HydrophobicContact CE2-CG 4.08Å; F462-R468 HydrophobicContact CG-CB 3.7Å; F462-R468 HydrophobicContact CG-CG 4.3Å; F462-T471 HydrophobicContact CE1-CG2 3.79Å; F462-T471 WeakPolarHBondContact CE1-OG1 3.38Å; F462-T471 HydrophobicContact CZ-CG2 3.8Å
463A91.4Very high94.5Very high68 Ų6838.3 Ų38.356%0.56220%0.204SC*.SBendtrans-75.9-29.9177.400000111.2E467A463-E467 PolarHBondContact N-OE2 3.09Å
464T92.2Very high94.4Very high67 Ų6745.1 Ų45.141%0.41123%0.23SC..SBendtrans-133155.2-178.971.30000112.4F462 M466 E467 R468F462-T464 VanDerWaalsContact C-N 3.34Å; T464-M466 PolarHBondContact O-N 2.89Å; T464-E467 PolarHBondContact N-OE2 3.42Å; T464-E467 PolarHBondContact O-N 2.89Å; T464-E467 WeakPolarHBondContact OG1-CG 3.5Å; T464-E467 PolarHBondContact OG1-N 3.32Å; T464-R468 PolarHBondContact O-N 3.29Å
465Q89.8Confident94.3Very high92 Ų9245.2 Ų45.243%0.4323%0.23SC..Hα-helixtrans-62.5-29.5172.4-69.4-59.3-39.800112.4R468 I469Q465-R468 WeakPolarHBondContact O-CB 3.42Å; Q465-R468 PolarHBondContact O-N 3.05Å; Q465-I469 VanDerWaalsContact O-CG1 3.24Å; Q465-I469 WeakPolarHBondContact O-CG1 3.31Å; Q465-I469 PolarHBondContact O-N 3.05Å
466M90.8Very high94.1Very high115 Ų11546.5 Ų46.557%0.56724%0.235SC*.Hα-helixtrans-66.3-46.5178.4-173.25874.200111.5T464 R468 I469 I470T464-M466 PolarHBondContact O-N 2.89Å; M466-R468 VanDerWaalsContact C-N 3.28Å; M466-R468 PolarHBondContact O-N 2.82Å; M466-I469 PolarHBondContact O-N 3Å; M466-I470 HydrophobicContact CG-CD1 3.83Å; M466-I470 HydrophobicContact CG-CG1 4.45Å; M466-I470 WeakPolarHBondContact O-CB 3.4Å; M466-I470 VanDerWaalsContact O-CG1 3.3Å; M466-I470 WeakPolarHBondContact O-CG1 3.44Å; M466-I470 PolarHBondContact O-N 3.02Å; M466-I470 HydrophobicContact SD-CD1 4.14Å; M466-I470 HydrophobicContact SD-CG1 4.28Å
467E94.1Very high94Very high90 Ų9053.6 Ų53.642%0.42127%0.268SS..Hα-helixtrans-57.6-43.7175.5-73.4167.3-178.500111.8F462 A463 T464 I470 T471F462-E467 HydrophobicContact CD1-CB 4.16Å; A463-E467 PolarHBondContact N-OE2 3.09Å; T464-E467 PolarHBondContact N-OE2 3.42Å; T464-E467 PolarHBondContact O-N 2.89Å; T464-E467 WeakPolarHBondContact OG1-CG 3.5Å; T464-E467 PolarHBondContact OG1-N 3.32Å; E467-I470 PolarHBondContact O-N 3.49Å; E467-T471 VanDerWaalsContact O-CB 3.29Å; E467-T471 WeakPolarHBondContact O-CB 3.38Å; E467-T471 PolarHBondContact O-N 3.46Å; E467-T471 PolarHBondContact O-OG1 3.04Å
468R93.8Very high93.8Very high19 Ų1956.4 Ų56.47%0.07228%0.282CS..Hα-helixtrans-58.5-51.8175.7178.4-179.2166.5-82.4-13.8111.5Y431 E457 F462 T464 Q465 M466 I470 T471 L472Y431-R468 PolarHBondContact OH-NH2 3.27Å; E457-R468 IonicContact OE1-CZ 2.68Å; E457-R468 IonicContact OE1-NE 3.47Å; E457-R468 PolarHBondContact OE1-NE 3.29Å; E457-R468 IonicContact OE1-NH2 3.42Å; E457-R468 PolarHBondContact OE1-NH2 2.96Å; E457-R468 IonicContact OE2-NH2 2.79Å; F462-R468 HydrophobicContact CB-CB 3.98Å; F462-R468 HydrophobicContact CD1-CB 4.18Å; F462-R468 HydrophobicContact CD2-CB 3.76Å; F462-R468 HydrophobicContact CD2-CG 3.83Å; F462-R468 HydrophobicContact CE2-CB 4.29Å; F462-R468 HydrophobicContact CE2-CG 4.08Å; F462-R468 HydrophobicContact CG-CB 3.7Å; F462-R468 HydrophobicContact CG-CG 4.3Å; T464-R468 PolarHBondContact O-N 3.29Å; Q465-R468 WeakPolarHBondContact O-CB 3.42Å; Q465-R468 PolarHBondContact O-N 3.05Å; M466-R468 VanDerWaalsContact C-N 3.28Å; M466-R468 PolarHBondContact O-N 2.82Å; R468-I470 PolarHBondContact O-N 3.46Å; R468-T471 PolarHBondContact O-N 3.39Å; R468-L472 HydrophobicContact CG-CD1 4.26Å; R468-L472 WeakPolarHBondContact O-CG 3.38Å; R468-L472 PolarHBondContact O-N 3.31Å
469I92.9Very high93.7Very high43 Ų4359.3 Ų59.322%0.22130%0.302CS..Hα-helixtrans-61.5-45.6-180-68.9166.1000111.1L430 Q465 M466 T471 L472 K473L430-I469 HydrophobicContact CD1-CG1 4.11Å; Q465-I469 VanDerWaalsContact O-CG1 3.24Å; Q465-I469 WeakPolarHBondContact O-CG1 3.31Å; Q465-I469 PolarHBondContact O-N 3.05Å; M466-I469 PolarHBondContact O-N 3Å; I469-T471 VanDerWaalsContact C-N 3.32Å; I469-T471 PolarHBondContact O-N 3.12Å; I469-L472 PolarHBondContact O-N 2.92Å; I469-K473 HydrophobicContact CG2-CD 4.08Å; I469-K473 HydrophobicContact CG2-CG 4.43Å; I469-K473 WeakPolarHBondContact O-CB 3.48Å; I469-K473 WeakPolarHBondContact O-CG 3.44Å; I469-K473 PolarHBondContact O-N 3.44Å
470I93.9Very high93.6Very high66 Ų6659.7 Ų59.734%0.33830%0.303SS..Hα-helixtrans-60.7-44.5178.3-69.5169000110.4M466 E467 R468 K473 R474M466-I470 HydrophobicContact CG-CD1 3.83Å; M466-I470 HydrophobicContact CG-CG1 4.45Å; M466-I470 WeakPolarHBondContact O-CB 3.4Å; M466-I470 VanDerWaalsContact O-CG1 3.3Å; M466-I470 WeakPolarHBondContact O-CG1 3.44Å; M466-I470 PolarHBondContact O-N 3.02Å; M466-I470 HydrophobicContact SD-CD1 4.14Å; M466-I470 HydrophobicContact SD-CG1 4.28Å; E467-I470 PolarHBondContact O-N 3.49Å; R468-I470 PolarHBondContact O-N 3.46Å; I470-K473 PolarHBondContact O-N 3.33Å; I470-R474 WeakPolarHBondContact O-CB 3.21Å; I470-R474 WeakPolarHBondContact O-CG 3.37Å; I470-R474 PolarHBondContact O-N 2.98Å
471T94.8Very high93.6Very high27 Ų2760.1 Ų60.117%0.16631%0.308CS..Hα-helixtrans-63.6-47.2-180-59.90000111.3F462 E467 R468 I469 K473 R474 L475 P481F462-T471 HydrophobicContact CE1-CG2 3.79Å; F462-T471 WeakPolarHBondContact CE1-OG1 3.38Å; F462-T471 HydrophobicContact CZ-CG2 3.8Å; E467-T471 VanDerWaalsContact O-CB 3.29Å; E467-T471 WeakPolarHBondContact O-CB 3.38Å; E467-T471 PolarHBondContact O-N 3.46Å; E467-T471 PolarHBondContact O-OG1 3.04Å; R468-T471 PolarHBondContact O-N 3.39Å; I469-T471 VanDerWaalsContact C-N 3.32Å; I469-T471 PolarHBondContact O-N 3.12Å; T471-K473 PolarHBondContact O-N 3.04Å; T471-R474 PolarHBondContact O-N 3Å; T471-L475 HydrophobicContact CG2-CD1 4.1Å; T471-L475 WeakPolarHBondContact O-CG 3.17Å; T471-L475 PolarHBondContact O-N 2.73Å; T471-P481 HydrophobicContact CG2-CG 3.7Å
472L95.1Very high93.5Very high0 Ų063.8 Ų63.80%032%0.321CS..Hα-helixtrans-61.4-43176-68179.4000111.8L430 L453 E457 R468 I469 R474 L475 R476L430-L472 HydrophobicContact CB-CD1 4.41Å; L430-L472 HydrophobicContact CD1-CD1 4.17Å; L453-L472 HydrophobicContact CB-CD2 4.19Å; L453-L472 HydrophobicContact CD2-CD2 4.03Å; E457-L472 HydrophobicContact CG-CD1 4.41Å; E457-L472 HydrophobicContact CG-CD2 3.96Å; R468-L472 HydrophobicContact CG-CD1 4.26Å; R468-L472 WeakPolarHBondContact O-CG 3.38Å; R468-L472 PolarHBondContact O-N 3.31Å; I469-L472 PolarHBondContact O-N 2.92Å; L472-R474 VanDerWaalsContact C-N 3.35Å; L472-R474 PolarHBondContact O-N 2.95Å; L472-L475 HydrophobicContact CD2-CD1 4.17Å; L472-L475 PolarHBondContact O-N 2.96Å; L472-R476 VanDerWaalsContact O-CG 3.31Å; L472-R476 WeakPolarHBondContact O-CG 3.47Å; L472-R476 PolarHBondContact O-N 2.86Å; L472-R476 VanDerWaalsContact O-N 3.13Å
473K94.2Very high93.4Very high112 Ų11266.1 Ų66.149%0.48733%0.334SS..Hα-helixtrans-60.3-41.9175.1-76.5179.7177.4-1790112.5L430 I469 I470 T471 R476L430-K473 HydrophobicContact CD2-CG 4.14Å; I469-K473 HydrophobicContact CG2-CD 4.08Å; I469-K473 HydrophobicContact CG2-CG 4.43Å; I469-K473 WeakPolarHBondContact O-CB 3.48Å; I469-K473 WeakPolarHBondContact O-CG 3.44Å; I469-K473 PolarHBondContact O-N 3.44Å; I470-K473 PolarHBondContact O-N 3.33Å; T471-K473 PolarHBondContact O-N 3.04Å; K473-R476 PolarHBondContact O-N 3.21Å
474R95.6Very high93.5Very high143 Ų14362.9 Ų62.954%0.5431%0.307SS..Hα-helixtrans-66.9-40.4177-76178-178176.72.6112.3I470 T471 L472 R476 Q477 M478 S479I470-R474 WeakPolarHBondContact O-CB 3.21Å; I470-R474 WeakPolarHBondContact O-CG 3.37Å; I470-R474 PolarHBondContact O-N 2.98Å; T471-R474 PolarHBondContact O-N 3Å; L472-R474 VanDerWaalsContact C-N 3.35Å; L472-R474 PolarHBondContact O-N 2.95Å; R474-R476 VanDerWaalsContact C-N 3.29Å; R474-R476 PolarHBondContact O-N 2.89Å; R474-Q477 CarbonylContact O-C 3.59Å; R474-Q477 WeakPolarHBondContact O-CA 3.2Å; R474-Q477 WeakPolarHBondContact O-CB 3.46Å; R474-Q477 PolarHBondContact O-N 3.47Å; R474-M478 PolarHBondContact O-N 3.36Å; R474-S479 CarbonylContact C-O 3.44Å; R474-S479 WeakPolarHBondContact O-CB 3.41Å; R474-S479 PolarHBondContact O-N 3.46Å
475L95.8Very high93.6Very high1 Ų165.2 Ų65.21%0.00531%0.313CS..Hα-helixtrans-59.4-39.9175.4-77.3165.5000112.1L453 V456 T471 L472 Q477 M478 L480 P481 V494 L498L453-L475 HydrophobicContact CD2-CB 4.15Å; L453-L475 HydrophobicContact CD2-CD1 4.44Å; V456-L475 HydrophobicContact CB-CD1 3.9Å; V456-L475 HydrophobicContact CG1-CD1 3.61Å; V456-L475 HydrophobicContact CG2-CD1 4.05Å; V456-L475 HydrophobicContact CG2-CD2 4.33Å; T471-L475 HydrophobicContact CG2-CD1 4.1Å; T471-L475 WeakPolarHBondContact O-CG 3.17Å; T471-L475 PolarHBondContact O-N 2.73Å; L472-L475 HydrophobicContact CD2-CD1 4.17Å; L472-L475 PolarHBondContact O-N 2.96Å; L475-Q477 PolarHBondContact O-N 3.29Å; L475-M478 WeakPolarHBondContact O-CA 3.49Å; L475-M478 PolarHBondContact O-N 3.01Å; L475-L480 HydrophobicContact CD2-CD2 3.94Å; L475-P481 HydrophobicContact CD2-CG 4.35Å; L475-V494 HydrophobicContact CD2-CG1 4.09Å; L475-L498 HydrophobicContact CB-CD1 3.92Å; L475-L498 HydrophobicContact CD2-CD1 4.11Å
476R93.7Very high93.7Very high29 Ų2969.5 Ų69.511%0.10933%0.325CS..Hα-helixtrans-61.6-24.6174.5-62.5172.471.272.814.1112.9L430 M432 E437 Y449 L472 K473 R474 M478 H500L430-R476 PolarHBondContact O-NH1 3.41Å; M432-R476 PolarHBondContact O-NH1 3.42Å; M432-R476 PolarHBondContact O-NH2 3.05Å; E437-R476 IonicContact OE1-CZ 3.92Å; E437-R476 IonicContact OE1-NH2 3.63Å; E437-R476 PolarHBondContact OE1-NH2 3.37Å; Y449-R476 WeakPolarHBondContact OH-CG 3.47Å; L472-R476 VanDerWaalsContact O-CG 3.31Å; L472-R476 WeakPolarHBondContact O-CG 3.47Å; L472-R476 PolarHBondContact O-N 2.86Å; L472-R476 VanDerWaalsContact O-N 3.13Å; K473-R476 PolarHBondContact O-N 3.21Å; R474-R476 VanDerWaalsContact C-N 3.29Å; R474-R476 PolarHBondContact O-N 2.89Å; R476-M478 VanDerWaalsContact C-N 3.3Å; R476-H500 PolarHBondContact O-NE2 3.41Å
477Q93.4Very high93.8Very high149 Ų14965 Ų6570%0.69631%0.305SS*.THydrogen-bonded Turntrans-92.114.2174.2-60.5171.6-12.500112.5R474 L475 S479R474-Q477 CarbonylContact O-C 3.59Å; R474-Q477 WeakPolarHBondContact O-CA 3.2Å; R474-Q477 WeakPolarHBondContact O-CB 3.46Å; R474-Q477 PolarHBondContact O-N 3.47Å; L475-Q477 PolarHBondContact O-N 3.29Å; Q477-S479 PolarHBondContact O-N 3.07Å
478M92.4Very high93.8Very high61 Ų6164.7 Ų64.730%0.332%0.318SS..THydrogen-bonded Turntrans61.124.1-176.5-55.9-60.3-73.700114.2R474 L475 R476 M495 L498R474-M478 PolarHBondContact O-N 3.36Å; L475-M478 WeakPolarHBondContact O-CA 3.49Å; L475-M478 PolarHBondContact O-N 3.01Å; R476-M478 VanDerWaalsContact C-N 3.3Å; M478-M495 HydrophobicContact CE-CE 3.57Å; M478-M495 HydrophobicContact CE-SD 3.56Å; M478-M495 VanDerWaalsContact CE-SD 3.56Å; M478-L498 HydrophobicContact SD-CB 4.16Å
479S94.5Very high93.8Very high62 Ų6264.2 Ų64.243%0.43432%0.318SS..  trans-94.5104.7173.3-177.20000110.1R474 Q477R474-S479 CarbonylContact C-O 3.44Å; R474-S479 WeakPolarHBondContact O-CB 3.41Å; R474-S479 PolarHBondContact O-N 3.46Å; Q477-S479 PolarHBondContact O-N 3.07Å
480L93.9Very high93.9Very high22 Ų2262.9 Ų62.912%0.11531%0.311CS..  trans-83.8138.6-174-61.5179.5000112.6L475 Q485 C491 V494 M495L475-L480 HydrophobicContact CD2-CD2 3.94Å; L480-Q485 HydrophobicContact CB-CG 3.8Å; L480-Q485 HydrophobicContact CD1-CG 4.31Å; L480-Q485 PolarHBondContact O-NE2 2.9Å; L480-C491 VanDerWaalsContact CD1-SG 3.57Å; L480-V494 HydrophobicContact CD2-CB 4.18Å; L480-V494 HydrophobicContact CD2-CG1 3.48Å; L480-V494 VanDerWaalsContact CD2-CG1 3.48Å; L480-M495 HydrophobicContact CD1-CG 3.84Å; L480-M495 HydrophobicContact CD1-SD 3.71Å; L480-M495 HydrophobicContact CD2-SD 4.18Å; L480-M495 HydrophobicContact CG-SD 4.03Å
481P94.5Very high94Very high30 Ų3061.4 Ų61.420%0.19531%0.306CS..  trans-62.2150.1168.2-24.435.4000112.8I460 T471 L475 L483 I484 Q485I460-P481 HydrophobicContact CD1-CB 3.49Å; I460-P481 VanDerWaalsContact CD1-CB 3.49Å; I460-P481 HydrophobicContact CD1-CG 3.57Å; T471-P481 HydrophobicContact CG2-CG 3.7Å; L475-P481 HydrophobicContact CD2-CG 4.35Å; P481-L483 VanDerWaalsContact C-N 3.29Å; P481-L483 PolarHBondContact O-N 3.02Å; P481-I484 HydrophobicContact CB-CG1 4.47Å; P481-I484 PolarHBondContact O-N 3.23Å; P481-I484 VanDerWaalsContact O-N 3.09Å; P481-Q485 PolarHBondContact O-N 2.93Å
482E93Very high94Very high124 Ų12462.7 Ų62.758%0.57932%0.317SS*.Hα-helixtrans-57.9-39.3-176.6-166.4-172.7165.600112.9I484 Q485 R486E482-I484 VanDerWaalsContact C-N 3.26Å; E482-I484 PolarHBondContact O-N 3.07Å; E482-Q485 PolarHBondContact O-N 3.41Å; E482-Q485 VanDerWaalsContact O-N 3.16Å; E482-R486 VanDerWaalsContact CD-NH2 3.33Å; E482-R486 WeakPolarHBondContact O-CG 3.11Å; E482-R486 PolarHBondContact O-N 3.39Å; E482-R486 VanDerWaalsContact O-N 3.11Å; E482-R486 IonicContact OE1-CZ 2.71Å; E482-R486 IonicContact OE1-NE 4Å; E482-R486 PolarHBondContact OE1-NE 3.28Å; E482-R486 IonicContact OE1-NH2 3.95Å; E482-R486 PolarHBondContact OE1-NH2 3.08Å; E482-R486 IonicContact OE2-NH2 2.59Å
483L91.7Very high94Very high69 Ų6963.3 Ų63.336%0.36132%0.319SS..Hα-helixtrans-58.5-38.9178.9-174.866.1000112.3V459 I460 P481V459-L483 HydrophobicContact CG1-CD2 4.03Å; I460-L483 HydrophobicContact CG1-CD2 4.12Å; P481-L483 VanDerWaalsContact C-N 3.29Å; P481-L483 PolarHBondContact O-N 3.02Å
484I94.5Very high94.2Very high0 Ų058 Ų580%030%0.296CS..Hα-helixtrans-71.6-41.4178.4-60.2-59.2000110.3F455 V456 V459 I460 P481 E482 R486 S487 M490 C491 V494F455-I484 HydrophobicContact CE1-CD1 4.27Å; V456-I484 HydrophobicContact CG1-CG1 4.47Å; V456-I484 HydrophobicContact CG2-CD1 4.38Å; V456-I484 HydrophobicContact CG2-CG1 4.48Å; V459-I484 HydrophobicContact CG1-CD1 4.47Å; I460-I484 HydrophobicContact CD1-CG1 4.21Å; P481-I484 HydrophobicContact CB-CG1 4.47Å; P481-I484 PolarHBondContact O-N 3.23Å; P481-I484 VanDerWaalsContact O-N 3.09Å; E482-I484 VanDerWaalsContact C-N 3.26Å; E482-I484 PolarHBondContact O-N 3.07Å; I484-R486 PolarHBondContact O-N 3.26Å; I484-S487 PolarHBondContact O-N 3.45Å; I484-S487 VanDerWaalsContact O-O 3.05Å; I484-M490 HydrophobicContact CD1-CB 4.34Å; I484-M490 HydrophobicContact CD1-SD 4.17Å; I484-M490 HydrophobicContact CG2-CB 4.17Å; I484-C491 PolarHBondContact O-N 3.01Å; I484-V494 HydrophobicContact CG2-CB 4.1Å; I484-V494 HydrophobicContact CG2-CG2 3.83Å
485Q93.5Very high94.2Very high115 Ų11555 Ų5554%0.53729%0.289SS..Hα-helixtrans-64-28.6180-65-176.636.100113.2L480 P481 E482 S487L480-Q485 HydrophobicContact CB-CG 3.8Å; L480-Q485 HydrophobicContact CD1-CG 4.31Å; L480-Q485 PolarHBondContact O-NE2 2.9Å; P481-Q485 PolarHBondContact O-N 2.93Å; E482-Q485 PolarHBondContact O-N 3.41Å; E482-Q485 VanDerWaalsContact O-N 3.16Å; Q485-S487 VanDerWaalsContact C-N 3.25Å; Q485-S487 PolarHBondContact O-N 2.93Å
486R92.4Very high94.3Very high182 Ų18260.4 Ų60.469%0.68731%0.313SS*.THydrogen-bonded Turntrans-68.5-19.8179.3-72.6173.6-176.7-175.22.1114.1E482 I484E482-R486 VanDerWaalsContact CD-NH2 3.33Å; E482-R486 WeakPolarHBondContact O-CG 3.11Å; E482-R486 PolarHBondContact O-N 3.39Å; E482-R486 VanDerWaalsContact O-N 3.11Å; E482-R486 IonicContact OE1-CZ 2.71Å; E482-R486 IonicContact OE1-NE 4Å; E482-R486 PolarHBondContact OE1-NE 3.28Å; E482-R486 IonicContact OE1-NH2 3.95Å; E482-R486 PolarHBondContact OE1-NH2 3.08Å; E482-R486 IonicContact OE2-NH2 2.59Å; I484-R486 PolarHBondContact O-N 3.26Å
487S92.9Very high94.4Very high21 Ų2159 Ų5915%0.14731%0.308CS..  trans-112.2119.7175.7170.80000109.9I484 Q485 A489 M490 C491I484-S487 PolarHBondContact O-N 3.45Å; I484-S487 VanDerWaalsContact O-O 3.05Å; Q485-S487 VanDerWaalsContact C-N 3.25Å; Q485-S487 PolarHBondContact O-N 2.93Å; S487-A489 PolarHBondContact O-N 3.05Å; S487-M490 PolarHBondContact O-N 3.15Å; S487-M490 PolarHBondContact OG-N 3.23Å; S487-C491 VanDerWaalsContact O-CB 3.23Å; S487-C491 WeakPolarHBondContact O-CB 3.03Å; S487-C491 PolarHBondContact O-N 3.13Å
488A93.2Very high94.6Very high84 Ų8452 Ų5269%0.69428%0.275SS*.Hα-helixtrans-58.4-39.3177.100000111.9S492A488-S492 VanDerWaalsContact O-CB 3.25Å; A488-S492 WeakPolarHBondContact O-CB 3.26Å; A488-S492 PolarHBondContact O-N 3.3Å
489A93.9Very high94.8Very high9 Ų949.6 Ų49.67%0.07426%0.264CS..Hα-helixtrans-63.6-49.4176.900000112.1S487 F493S487-A489 PolarHBondContact O-N 3.05Å; A489-F493 VanDerWaalsContact O-CB 3.27Å; A489-F493 WeakPolarHBondContact O-CB 3.25Å; A489-F493 PolarHBondContact O-N 3.47Å
490M95.4Very high94.8Very high14 Ų1451.3 Ų51.37%0.06927%0.265CS..Hα-helixtrans-65.7-43.6178.6-63.4-165.3-79.400111.8F455 V459 I484 S487 F493 V494 L516 L520F455-M490 HydrophobicContact CE1-CB 4.35Å; F455-M490 HydrophobicContact CE1-CG 4.31Å; F455-M490 HydrophobicContact CE1-SD 4.43Å; F455-M490 HydrophobicContact CZ-CB 4.48Å; F455-M490 HydrophobicContact CZ-CG 3.96Å; F455-M490 HydrophobicContact CZ-SD 4.04Å; V459-M490 HydrophobicContact CG1-SD 3.98Å; I484-M490 HydrophobicContact CD1-CB 4.34Å; I484-M490 HydrophobicContact CD1-SD 4.17Å; I484-M490 HydrophobicContact CG2-CB 4.17Å; S487-M490 PolarHBondContact O-N 3.15Å; S487-M490 PolarHBondContact OG-N 3.23Å; M490-F493 PolarHBondContact O-N 2.99Å; M490-V494 VanDerWaalsContact O-CG2 3.31Å; M490-V494 WeakPolarHBondContact O-CG2 3.5Å; M490-V494 PolarHBondContact O-N 3.3Å; M490-L516 HydrophobicContact CG-CD1 4.15Å; M490-L520 HydrophobicContact CG-CD1 3.88Å; M490-L520 HydrophobicContact SD-CD1 4.44Å
491C95.4Very high94.8Very high35 Ų3551.3 Ų51.324%0.23627%0.267CS..Hα-helixtrans-59.1-50.3177.1-175.90000111.4L480 I484 S487 F493 V494 M495L480-C491 VanDerWaalsContact CD1-SG 3.57Å; I484-C491 PolarHBondContact O-N 3.01Å; S487-C491 VanDerWaalsContact O-CB 3.23Å; S487-C491 WeakPolarHBondContact O-CB 3.03Å; S487-C491 PolarHBondContact O-N 3.13Å; C491-F493 VanDerWaalsContact C-N 3.33Å; C491-F493 PolarHBondContact O-N 2.73Å; C491-V494 PolarHBondContact O-N 3.26Å; C491-M495 WeakPolarHBondContact O-CB 3.32Å; C491-M495 WeakPolarHBondContact O-CG 3.37Å; C491-M495 PolarHBondContact O-N 2.94Å
492S95Very high94.8Very high55 Ų5551.4 Ų51.439%0.38527%0.267SS..Hα-helixtrans-60.9-42.3177.8-169.30000112A488 K496A488-S492 VanDerWaalsContact O-CB 3.25Å; A488-S492 WeakPolarHBondContact O-CB 3.26Å; A488-S492 PolarHBondContact O-N 3.3Å; S492-K496 WeakPolarHBondContact O-CB 3.26Å; S492-K496 VanDerWaalsContact O-CG 3.27Å; S492-K496 WeakPolarHBondContact O-CG 3.45Å; S492-K496 PolarHBondContact O-N 2.98Å; S492-K496 VanDerWaalsContact O-N 3.16Å
493F96.2Very high94.9Very high12 Ų1252.7 Ų52.75%0.05327%0.273CS..Hα-helixtrans-60.6-56.1177.5172.7-99.8000111.6F356 F455 A489 M490 C491 M495 K496 T497 I511 L516F356-F493 HydrophobicContact CE1-CE1 4.17Å; F356-F493 HydrophobicContact CE1-CE2 4.25Å; F356-F493 AromaticContact CE1-CZ 3.62Å; F356-F493 HydrophobicContact CE1-CZ 3.62Å; F356-F493 HydrophobicContact CZ-CE1 4.14Å; F356-F493 HydrophobicContact CZ-CE2 4.47Å; F356-F493 AromaticContact CZ-CZ 3.56Å; F356-F493 HydrophobicContact CZ-CZ 3.56Å; F455-F493 HydrophobicContact CB-CE1 3.66Å; F455-F493 HydrophobicContact CB-CZ 4.39Å; F455-F493 AromaticContact CD1-CD1 3.6Å; F455-F493 HydrophobicContact CD1-CD1 3.6Å; F455-F493 AromaticContact CD1-CE1 3.52Å; F455-F493 HydrophobicContact CD1-CE1 3.52Å; F455-F493 HydrophobicContact CD2-CD1 4.48Å; F455-F493 HydrophobicContact CD2-CE1 4.05Å; F455-F493 AromaticContact CE1-CD1 3.83Å; F455-F493 HydrophobicContact CE1-CD1 3.83Å; F455-F493 HydrophobicContact CE1-CE1 4.18Å; F455-F493 AromaticContact CG-CD1 3.96Å; F455-F493 HydrophobicContact CG-CD1 3.96Å; F455-F493 AromaticContact CG-CE1 3.44Å; F455-F493 HydrophobicContact CG-CE1 3.44Å; F455-F493 VanDerWaalsContact CG-CE1 3.44Å; F455-F493 HydrophobicContact CG-CZ 4.41Å; F455-F493 HydrophobicContact CZ-CD1 4.38Å; A489-F493 VanDerWaalsContact O-CB 3.27Å; A489-F493 WeakPolarHBondContact O-CB 3.25Å; A489-F493 PolarHBondContact O-N 3.47Å; M490-F493 PolarHBondContact O-N 2.99Å; C491-F493 VanDerWaalsContact C-N 3.33Å; C491-F493 PolarHBondContact O-N 2.73Å; F493-M495 PolarHBondContact O-N 3.43Å; F493-K496 PolarHBondContact O-N 2.87Å; F493-T497 HydrophobicContact CD2-CG2 4.1Å; F493-T497 HydrophobicContact CE1-CG2 4.21Å; F493-T497 HydrophobicContact CE2-CG2 3.52Å; F493-T497 HydrophobicContact CZ-CG2 3.57Å; F493-T497 PolarHBondContact O-N 3.5Å; F493-T497 PolarHBondContact O-OG1 3.13Å; F493-T497 VanDerWaalsContact O-OG1 3.08Å; F493-I511 HydrophobicContact CE2-CB 4.41Å; F493-I511 HydrophobicContact CE2-CD1 4.21Å; F493-I511 HydrophobicContact CE2-CG1 4.01Å; F493-I511 HydrophobicContact CE2-CG2 3.65Å; F493-I511 HydrophobicContact CZ-CG2 4.39Å; F493-L516 HydrophobicContact CB-CD1 4.32Å; F493-L516 HydrophobicContact CD1-CD2 4.03Å; F493-L516 HydrophobicContact CD2-CD2 3.86Å; F493-L516 HydrophobicContact CE1-CD2 4.23Å; F493-L516 HydrophobicContact CE2-CD2 4.05Å; F493-L516 HydrophobicContact CG-CD1 4.38Å; F493-L516 HydrophobicContact CG-CD2 3.86Å; F493-L516 HydrophobicContact CZ-CD2 4.24Å
494V97.1Very high95.1Very high1 Ų155.4 Ų55.41%0.00628%0.284CS..Hα-helixtrans-61.9-43.6-176.2176.20000111.1F455 V456 L475 L480 I484 M490 C491 K496 T497 L498F455-V494 HydrophobicContact CD1-CG2 3.79Å; F455-V494 HydrophobicContact CE1-CG2 3.93Å; V456-V494 HydrophobicContact CG2-CG1 4.02Å; V456-V494 HydrophobicContact CG2-CG2 3.66Å; L475-V494 HydrophobicContact CD2-CG1 4.09Å; L480-V494 HydrophobicContact CD2-CB 4.18Å; L480-V494 HydrophobicContact CD2-CG1 3.48Å; L480-V494 VanDerWaalsContact CD2-CG1 3.48Å; I484-V494 HydrophobicContact CG2-CB 4.1Å; I484-V494 HydrophobicContact CG2-CG2 3.83Å; M490-V494 VanDerWaalsContact O-CG2 3.31Å; M490-V494 WeakPolarHBondContact O-CG2 3.5Å; M490-V494 PolarHBondContact O-N 3.3Å; C491-V494 PolarHBondContact O-N 3.26Å; V494-K496 VanDerWaalsContact C-N 3.33Å; V494-K496 PolarHBondContact O-N 3.48Å; V494-T497 PolarHBondContact O-N 3.4Å; V494-T497 PolarHBondContact O-OG1 2.91Å; V494-L498 HydrophobicContact CG1-CD1 3.61Å; V494-L498 HydrophobicContact CG1-CG 4.13Å; V494-L498 VanDerWaalsContact O-CB 3.32Å; V494-L498 WeakPolarHBondContact O-CB 3.45Å; V494-L498 WeakPolarHBondContact O-CG 3.37Å; V494-L498 PolarHBondContact O-N 3.48Å
495M96.4Very high95.2Very high79 Ų7955.6 Ų55.639%0.38929%0.285SS..Hα-helixtrans-59.5-42.4177.4-72-66.5-69.400112.3M478 L480 C491 F493 S499M478-M495 HydrophobicContact CE-CE 3.57Å; M478-M495 HydrophobicContact CE-SD 3.56Å; M478-M495 VanDerWaalsContact CE-SD 3.56Å; L480-M495 HydrophobicContact CD1-CG 3.84Å; L480-M495 HydrophobicContact CD1-SD 3.71Å; L480-M495 HydrophobicContact CD2-SD 4.18Å; L480-M495 HydrophobicContact CG-SD 4.03Å; C491-M495 WeakPolarHBondContact O-CB 3.32Å; C491-M495 WeakPolarHBondContact O-CG 3.37Å; C491-M495 PolarHBondContact O-N 2.94Å; F493-M495 PolarHBondContact O-N 3.43Å; M495-S499 PolarHBondContact O-N 2.99Å
496K96.7Very high95.4Very high115 Ų11551.3 Ų51.350%0.527%0.267SS..Hα-helixtrans-70.7-45.3178.8-71.5174.9-179173.30111.7S492 F493 V494 L498 S499 R505S492-K496 WeakPolarHBondContact O-CB 3.26Å; S492-K496 VanDerWaalsContact O-CG 3.27Å; S492-K496 WeakPolarHBondContact O-CG 3.45Å; S492-K496 PolarHBondContact O-N 2.98Å; S492-K496 VanDerWaalsContact O-N 3.16Å; F493-K496 PolarHBondContact O-N 2.87Å; V494-K496 VanDerWaalsContact C-N 3.33Å; V494-K496 PolarHBondContact O-N 3.48Å; K496-L498 VanDerWaalsContact C-N 3.35Å; K496-L498 PolarHBondContact O-N 3.11Å; K496-S499 PolarHBondContact O-N 2.79Å; K496-R505 WeakPolarHBondContact O-CA 3.38Å; K496-R505 WeakPolarHBondContact O-CG 3.34Å
497T97.2Very high95.6Very high0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-69.3-32.1-178.450.30000113.3I448 Y449 G452 F493 V494 R505 P506 I511I448-T497 HydrophobicContact CG2-CG2 4.07Å; Y449-T497 WeakPolarHBondContact CA-O 3.31Å; G452-T497 WeakPolarHBondContact CA-OG1 3.32Å; F493-T497 HydrophobicContact CD2-CG2 4.1Å; F493-T497 HydrophobicContact CE1-CG2 4.21Å; F493-T497 HydrophobicContact CE2-CG2 3.52Å; F493-T497 HydrophobicContact CZ-CG2 3.57Å; F493-T497 PolarHBondContact O-N 3.5Å; F493-T497 PolarHBondContact O-OG1 3.13Å; F493-T497 VanDerWaalsContact O-OG1 3.08Å; V494-T497 PolarHBondContact O-N 3.4Å; V494-T497 PolarHBondContact O-OG1 2.91Å; T497-R505 VanDerWaalsContact O-CD 3.31Å; T497-R505 WeakPolarHBondContact O-CD 3.27Å; T497-P506 HydrophobicContact CG2-CG 3.95Å; T497-I511 HydrophobicContact CG2-CD1 4.26Å
498L97.2Very high95.8Very high2 Ų244 Ų441%0.0124%0.243CC..THydrogen-bonded Turntrans-959.4-179.5-58.8-173.4000113.6Y449 L453 L475 M478 V494 K496 H500Y449-L498 HydrophobicContact CD1-CD2 4.47Å; Y449-L498 HydrophobicContact CD2-CD2 4.13Å; Y449-L498 HydrophobicContact CE1-CD2 4.4Å; Y449-L498 HydrophobicContact CE2-CB 4.21Å; Y449-L498 HydrophobicContact CE2-CD2 4.07Å; Y449-L498 WeakPolarHBondContact CE2-O 3.49Å; Y449-L498 HydrophobicContact CG-CD2 4.34Å; Y449-L498 WeakPolarHBondContact O-CD2 3.44Å; L453-L498 HydrophobicContact CD2-CD1 3.96Å; L453-L498 HydrophobicContact CD2-CD2 3.81Å; L453-L498 HydrophobicContact CG-CD2 3.77Å; L475-L498 HydrophobicContact CB-CD1 3.92Å; L475-L498 HydrophobicContact CD2-CD1 4.11Å; M478-L498 HydrophobicContact SD-CB 4.16Å; V494-L498 HydrophobicContact CG1-CD1 3.61Å; V494-L498 HydrophobicContact CG1-CG 4.13Å; V494-L498 VanDerWaalsContact O-CB 3.32Å; V494-L498 WeakPolarHBondContact O-CB 3.45Å; V494-L498 WeakPolarHBondContact O-CG 3.37Å; V494-L498 PolarHBondContact O-N 3.48Å; K496-L498 VanDerWaalsContact C-N 3.35Å; K496-L498 PolarHBondContact O-N 3.11Å; L498-H500 PolarHBondContact O-N 3.47Å
499S96.5Very high95.9Very high10 Ų1046.7 Ų46.77%0.0724%0.24CC..  trans-55.3137.2174.4-179.40000110.8M495 K496 S501 E504 R505M495-S499 PolarHBondContact O-N 2.99Å; K496-S499 PolarHBondContact O-N 2.79Å; S499-S501 PolarHBondContact O-N 3.44Å; S499-S501 PolarHBondContact OG-N 2.97Å; S499-S501 PolarHBondContact OG-O 2.89Å; S499-E504 WeakPolarHBondContact CB-OE2 3.4Å; S499-E504 PolarHBondContact OG-OE2 2.91Å; S499-R505 VanDerWaalsContact O-CZ 3.29Å; S499-R505 PolarHBondContact O-NE 3.3Å; S499-R505 PolarHBondContact O-NH2 3.13Å
500H94.4Very high96.1Very high99 Ų9948.5 Ų48.546%0.45826%0.255SS..SBendtrans-67.7-25.8175.2-72.1-163000111.3R476 L498 P502R476-H500 PolarHBondContact O-NE2 3.41Å; L498-H500 PolarHBondContact O-N 3.47Å; H500-P502 WeakPolarHBondContact O-CD 3.39Å
501S94.3Very high96.1Very high22 Ų2247.9 Ų47.915%0.15425%0.252CS..SBendtrans-80.7115.2171.7158.30000109.8S499 E503 E504S499-S501 PolarHBondContact O-N 3.44Å; S499-S501 PolarHBondContact OG-N 2.97Å; S499-S501 PolarHBondContact OG-O 2.89Å; S501-E503 VanDerWaalsContact C-N 3.27Å; S501-E503 WeakPolarHBondContact CB-OE1 3.22Å; S501-E503 PolarHBondContact O-N 3.45Å; S501-E503 VanDerWaalsContact OG-CG 3.25Å; S501-E503 WeakPolarHBondContact OG-CG 3.29Å; S501-E503 PolarHBondContact OG-OE1 3.31Å; S501-E503 PolarHBondContact OG-OE2 2.89Å; S501-E504 PolarHBondContact O-N 3.44Å; S501-E504 WeakPolarHBondContact OG-CG 3.28Å
502P94.6Very high96.1Very high31 Ų3148 Ų4820%0.20125%0.25CC..THydrogen-bonded Turntrans-63.7-30.2-179-23.435.3000113.9E435 K445 H500 E504 R505E435-P502 HydrophobicContact CG-CG 4.24Å; E435-P502 WeakPolarHBondContact OE1-CG 2.96Å; K445-P502 HydrophobicContact CB-CB 3.92Å; K445-P502 WeakPolarHBondContact CD-O 3.47Å; K445-P502 HydrophobicContact CG-CB 4.3Å; K445-P502 WeakPolarHBondContact CG-O 3.34Å; H500-P502 WeakPolarHBondContact O-CD 3.39Å; P502-E504 VanDerWaalsContact C-N 3.34Å; P502-R505 PolarHBondContact O-N 3.43Å
503E94.1Very high96.1Very high151 Ų15149.7 Ų49.771%0.70626%0.262SS*.THydrogen-bonded Turntrans-68.7-28.4179.459.5-80.2-179.800113.6S501 R505S501-E503 VanDerWaalsContact C-N 3.27Å; S501-E503 WeakPolarHBondContact CB-OE1 3.22Å; S501-E503 PolarHBondContact O-N 3.45Å; S501-E503 VanDerWaalsContact OG-CG 3.25Å; S501-E503 WeakPolarHBondContact OG-CG 3.29Å; S501-E503 PolarHBondContact OG-OE1 3.31Å; S501-E503 PolarHBondContact OG-OE2 2.89Å; E503-R505 VanDerWaalsContact C-N 3.32Å
504E95.9Very high95.9Very high127 Ų12750.1 Ų50.159%0.59327%0.266SS*.THydrogen-bonded Turntrans-75.2-22.3175.4-72.4177.8-177.300113.2S499 S501 P502S499-E504 WeakPolarHBondContact CB-OE2 3.4Å; S499-E504 PolarHBondContact OG-OE2 2.91Å; S501-E504 PolarHBondContact O-N 3.44Å; S501-E504 WeakPolarHBondContact OG-CG 3.28Å; P502-E504 VanDerWaalsContact C-N 3.34Å
505R97.4Very high95.5Very high4 Ų453.3 Ų53.32%0.01529%0.287CS..SBendtrans-67.5145.3179.8-57-179-163.4143.812.4109.8E435 K445 I448 K496 T497 S499 P502 E503E435-R505 IonicContact OE1-CZ 3.31Å; E435-R505 IonicContact OE1-NH1 3.96Å; E435-R505 PolarHBondContact OE1-NH1 3.14Å; E435-R505 IonicContact OE1-NH2 3.97Å; E435-R505 PolarHBondContact OE1-NH2 3.24Å; E435-R505 IonicContact OE2-CZ 2.67Å; E435-R505 IonicContact OE2-NH1 3.71Å; E435-R505 PolarHBondContact OE2-NH1 3.5Å; E435-R505 IonicContact OE2-NH2 3.94Å; E435-R505 PolarHBondContact OE2-NH2 3.34Å; K445-R505 HydrophobicContact CD-CB 4.19Å; K445-R505 PolarHBondContact NZ-O 2.87Å; K445-R505 PolarHBondContact O-NH1 3.48Å; I448-R505 HydrophobicContact CB-CB 4.47Å; I448-R505 HydrophobicContact CG2-CB 3.94Å; K496-R505 WeakPolarHBondContact O-CA 3.38Å; K496-R505 WeakPolarHBondContact O-CG 3.34Å; T497-R505 VanDerWaalsContact O-CD 3.31Å; T497-R505 WeakPolarHBondContact O-CD 3.27Å; S499-R505 VanDerWaalsContact O-CZ 3.29Å; S499-R505 PolarHBondContact O-NE 3.3Å; S499-R505 PolarHBondContact O-NH2 3.13Å; P502-R505 PolarHBondContact O-N 3.43Å; E503-R505 VanDerWaalsContact C-N 3.32Å
506P97.2Very high95.2Very high25 Ų2549.6 Ų49.616%0.16227%0.268CS..PPolyproline II helixtrans-71.5171.8176.929-34000112.1K445 I448 T497 A510 I511K445-P506 PolarHBondContact NZ-O 3.42Å; I448-P506 HydrophobicContact CG2-CG 4.31Å; T497-P506 HydrophobicContact CG2-CG 3.95Å; P506-A510 HydrophobicContact CB-CB 3.99Å; P506-I511 HydrophobicContact CB-CG1 3.97Å; P506-I511 HydrophobicContact CG-CD1 4.01Å; P506-I511 HydrophobicContact CG-CG1 3.57Å
507S97Very high94.8Very high45 Ų4544.9 Ų44.932%0.31525%0.248SC..PPolyproline II helixtrans-90.4163162.362.90000110K509 A510 I511S507-K509 PolarHBondContact O-N 3.45Å; S507-A510 WeakPolarHBondContact O-CA 3.28Å; S507-A510 WeakPolarHBondContact O-CB 3.41Å; S507-A510 PolarHBondContact O-N 3.38Å; S507-A510 PolarHBondContact OG-N 3.27Å; S507-I511 WeakPolarHBondContact O-CG1 3.27Å; S507-I511 PolarHBondContact O-N 3.49Å
508C97.3Very high94.1Very high3 Ų349.8 Ų49.82%0.0228%0.278CS..Hα-helixtrans-54.7-40.8175.3-630000112.1V360 Q364 H367 I448 A510 I511 L512V360-C508 HydrophobicContact CG1-CB 3.91Å; Q364-C508 HydrophobicContact CB-CB 3.56Å; Q364-C508 HydrophobicContact CG-CB 4.04Å; H367-C508 PolarHBondContact ND1-SG 3.31Å; I448-C508 WeakPolarHBondContact CD1-SG 3.34Å; C508-A510 VanDerWaalsContact C-N 3.32Å; C508-A510 PolarHBondContact O-N 3.49Å; C508-I511 WeakPolarHBondContact O-CB 3.36Å; C508-I511 PolarHBondContact O-N 3.32Å; C508-I511 VanDerWaalsContact O-N 3.14Å; C508-L512 WeakPolarHBondContact O-CG 3.48Å; C508-L512 PolarHBondContact O-N 2.96Å
509K95.8Very high93.3Very high142 Ų14255.7 Ų55.762%0.61731%0.306SS*.Hα-helixtrans-58.8-40.8174.5-173.2174.8-178.6175.60112.9S507 S513S507-K509 PolarHBondContact O-N 3.45Å; K509-S513 PolarHBondContact O-N 3.2Å; K509-S513 PolarHBondContact O-OG 3.25Å
510A96.4Very high92.4Very high47 Ų4757.4 Ų57.439%0.38831%0.314SS..Hα-helixtrans-71.1-34.6176.400000112.2P506 S507 C508 S513 S514P506-A510 HydrophobicContact CB-CB 3.99Å; S507-A510 WeakPolarHBondContact O-CA 3.28Å; S507-A510 WeakPolarHBondContact O-CB 3.41Å; S507-A510 PolarHBondContact O-N 3.38Å; S507-A510 PolarHBondContact OG-N 3.27Å; C508-A510 VanDerWaalsContact C-N 3.32Å; C508-A510 PolarHBondContact O-N 3.49Å; A510-S513 PolarHBondContact O-N 3.42Å; A510-S514 WeakPolarHBondContact O-CB 3.47Å; A510-S514 PolarHBondContact O-N 3.43Å; A510-S514 VanDerWaalsContact O-N 3.13Å
511I96.8Very high91.3Very high1 Ų157.5 Ų57.51%0.00532%0.317CS..Hα-helixtrans-63-47.8173.6-65.3172.4000110.5F356 V360 I448 L451 F493 T497 P506 S507 C508 S513 S514 F517F356-I511 HydrophobicContact CE1-CG2 4.27Å; V360-I511 HydrophobicContact CG1-CB 4.09Å; V360-I511 HydrophobicContact CG1-CG2 3.92Å; V360-I511 HydrophobicContact CG2-CG2 4.02Å; I448-I511 HydrophobicContact CD1-CD1 4.25Å; I448-I511 HydrophobicContact CG2-CD1 4.14Å; L451-I511 HydrophobicContact CD1-CD1 4.45Å; F493-I511 HydrophobicContact CE2-CB 4.41Å; F493-I511 HydrophobicContact CE2-CD1 4.21Å; F493-I511 HydrophobicContact CE2-CG1 4.01Å; F493-I511 HydrophobicContact CE2-CG2 3.65Å; F493-I511 HydrophobicContact CZ-CG2 4.39Å; T497-I511 HydrophobicContact CG2-CD1 4.26Å; P506-I511 HydrophobicContact CB-CG1 3.97Å; P506-I511 HydrophobicContact CG-CD1 4.01Å; P506-I511 HydrophobicContact CG-CG1 3.57Å; S507-I511 WeakPolarHBondContact O-CG1 3.27Å; S507-I511 PolarHBondContact O-N 3.49Å; C508-I511 WeakPolarHBondContact O-CB 3.36Å; C508-I511 PolarHBondContact O-N 3.32Å; C508-I511 VanDerWaalsContact O-N 3.14Å; I511-S513 PolarHBondContact O-N 3.33Å; I511-S514 VanDerWaalsContact O-CB 3.22Å; I511-S514 WeakPolarHBondContact O-CB 3.32Å; I511-S514 PolarHBondContact O-N 2.98Å; I511-S514 PolarHBondContact O-OG 3.01Å; I511-F517 HydrophobicContact CG2-CE2 3.99Å; I511-F517 WeakPolarHBondContact O-CD2 3.28Å
512L95.4Very high91.2Very high38 Ų3859.3 Ų59.320%0.19933%0.325CS..Hα-helixtrans-63.5-27.9179-68.3168.3000113.2K357 V360 E361 C508 F517K357-L512 HydrophobicContact CG-CD2 3.86Å; V360-L512 HydrophobicContact CB-CD2 4.03Å; V360-L512 HydrophobicContact CB-CG 4.42Å; V360-L512 HydrophobicContact CG1-CD1 4.2Å; V360-L512 HydrophobicContact CG1-CD2 3.82Å; V360-L512 HydrophobicContact CG1-CG 3.66Å; E361-L512 HydrophobicContact CG-CD1 3.98Å; E361-L512 HydrophobicContact CG-CD2 3.86Å; C508-L512 WeakPolarHBondContact O-CG 3.48Å; C508-L512 PolarHBondContact O-N 2.96Å; L512-F517 HydrophobicContact CD2-CE2 4.04Å
513S93.7Very high91Very high90 Ų9060.8 Ų60.863%0.62933%0.332SS*.THydrogen-bonded Turntrans-92.74176.8-470000113K509 A510 I511K509-S513 PolarHBondContact O-N 3.2Å; K509-S513 PolarHBondContact O-OG 3.25Å; A510-S513 PolarHBondContact O-N 3.42Å; I511-S513 PolarHBondContact O-N 3.33Å
514S92Very high90.8Very high21 Ų2155.8 Ų55.815%0.14731%0.311CS..SBendtrans-81.4159.4-173.275.20000112.3A510 I511 L516 F517A510-S514 WeakPolarHBondContact O-CB 3.47Å; A510-S514 PolarHBondContact O-N 3.43Å; A510-S514 VanDerWaalsContact O-N 3.13Å; I511-S514 VanDerWaalsContact O-CB 3.22Å; I511-S514 WeakPolarHBondContact O-CB 3.32Å; I511-S514 PolarHBondContact O-N 2.98Å; I511-S514 PolarHBondContact O-OG 3.01Å; S514-L516 PolarHBondContact O-N 3.35Å; S514-L516 WeakPolarHBondContact OG-CB 3.33Å; S514-L516 PolarHBondContact OG-N 3.41Å; S514-F517 PolarHBondContact O-N 3.08Å
515P89.3Confident90.5Very high68 Ų6851.6 Ų51.644%0.44229%0.294SS..Hα-helixtrans-54.5-21.9174.5-27.135.8000114.4F517 T518 E519P515-F517 VanDerWaalsContact C-N 3.28Å; P515-F517 PolarHBondContact O-N 2.94Å; P515-T518 WeakPolarHBondContact CA-OG1 3.38Å; P515-T518 PolarHBondContact O-N 3.49Å; P515-T518 PolarHBondContact O-OG1 2.93Å; P515-E519 HydrophobicContact CB-CG 4.21Å; P515-E519 VanDerWaalsContact O-CB 3.26Å; P515-E519 WeakPolarHBondContact O-CB 3.34Å; P515-E519 WeakPolarHBondContact O-CG 3.33Å; P515-E519 PolarHBondContact O-N 3.02Å
516L90.1Very high90.1Very high1 Ų154.6 Ų54.61%0.00531%0.312CS..Hα-helixtrans-52.5-45.6178.2-175.173000112.2L353 F356 F455 M490 F493 S514 L520L353-L516 HydrophobicContact CD2-CG 4.36Å; F356-L516 HydrophobicContact CD1-CD2 4.19Å; F356-L516 HydrophobicContact CE1-CD2 4Å; F455-L516 HydrophobicContact CD2-CD2 4.22Å; F455-L516 HydrophobicContact CE1-CD1 4.42Å; F455-L516 HydrophobicContact CE2-CD1 3.82Å; F455-L516 HydrophobicContact CE2-CD2 3.85Å; F455-L516 HydrophobicContact CE2-CG 4.31Å; F455-L516 HydrophobicContact CZ-CD1 3.57Å; F455-L516 HydrophobicContact CZ-CD2 4.32Å; M490-L516 HydrophobicContact CG-CD1 4.15Å; F493-L516 HydrophobicContact CB-CD1 4.32Å; F493-L516 HydrophobicContact CD1-CD2 4.03Å; F493-L516 HydrophobicContact CD2-CD2 3.86Å; F493-L516 HydrophobicContact CE1-CD2 4.23Å; F493-L516 HydrophobicContact CE2-CD2 4.05Å; F493-L516 HydrophobicContact CG-CD1 4.38Å; F493-L516 HydrophobicContact CG-CD2 3.86Å; F493-L516 HydrophobicContact CZ-CD2 4.24Å; S514-L516 PolarHBondContact O-N 3.35Å; S514-L516 WeakPolarHBondContact OG-CB 3.33Å; S514-L516 PolarHBondContact OG-N 3.41Å; L516-L520 HydrophobicContact CD1-CD1 3.74Å; L516-L520 VanDerWaalsContact O-CB 3.29Å; L516-L520 WeakPolarHBondContact O-CB 3.33Å; L516-L520 WeakPolarHBondContact O-CG 3.2Å
517F89.4Confident89.6Confident16 Ų1656.5 Ų56.57%0.0732%0.322CS..Hα-helixtrans-90.4-21.5-178.8-64.9-63.2000113.3L353 F356 K357 I511 L512 S514 P515 L521L353-F517 HydrophobicContact CD2-CE1 4.44Å; F356-F517 HydrophobicContact CD1-CE1 4.07Å; F356-F517 AromaticContact CD1-CZ 3.63Å; F356-F517 HydrophobicContact CD1-CZ 3.63Å; F356-F517 HydrophobicContact CE1-CZ 4.13Å; K357-F517 HydrophobicContact CB-CD1 4.34Å; K357-F517 HydrophobicContact CB-CE1 3.66Å; K357-F517 HydrophobicContact CB-CZ 3.9Å; K357-F517 HydrophobicContact CG-CE1 4.23Å; K357-F517 HydrophobicContact CG-CZ 4.27Å; I511-F517 HydrophobicContact CG2-CE2 3.99Å; I511-F517 WeakPolarHBondContact O-CD2 3.28Å; L512-F517 HydrophobicContact CD2-CE2 4.04Å; S514-F517 PolarHBondContact O-N 3.08Å; P515-F517 VanDerWaalsContact C-N 3.28Å; P515-F517 PolarHBondContact O-N 2.94Å; F517-L521 HydrophobicContact CB-CD1 4.48Å; F517-L521 HydrophobicContact CD1-CD1 3.82Å; F517-L521 WeakPolarHBondContact O-CB 3.37Å
518T82.5Confident89.1Confident102 Ų10257.4 Ų57.463%0.62632%0.322SS*.Hα-helixtrans-86.8-25.1179.1590000113.3P515P515-T518 WeakPolarHBondContact CA-OG1 3.38Å; P515-T518 PolarHBondContact O-N 3.49Å; P515-T518 PolarHBondContact O-OG1 2.93Å
519E80.4Confident88.4Confident127 Ų12761.5 Ų61.559%0.59335%0.346SS*.Hα-helixtrans-95.1-25.2179.8-65.4-177.9-169.500113P515P515-E519 HydrophobicContact CB-CG 4.21Å; P515-E519 VanDerWaalsContact O-CB 3.26Å; P515-E519 WeakPolarHBondContact O-CB 3.34Å; P515-E519 WeakPolarHBondContact O-CG 3.33Å; P515-E519 PolarHBondContact O-N 3.02Å
520L76.2Confident87.8Confident46 Ų4654.8 Ų54.824%0.24132%0.323CS..Hα-helixtrans-111-13.8-172.7-54.4175.2000115L353 M490 L516L353-L520 HydrophobicContact CD1-CB 3.34Å; L353-L520 HydrophobicContact CD1-CD1 4.25Å; L353-L520 HydrophobicContact CD1-CG 4.44Å; M490-L520 HydrophobicContact CG-CD1 3.88Å; M490-L520 HydrophobicContact SD-CD1 4.44Å; L516-L520 HydrophobicContact CD1-CD1 3.74Å; L516-L520 VanDerWaalsContact O-CB 3.29Å; L516-L520 WeakPolarHBondContact O-CB 3.33Å; L516-L520 WeakPolarHBondContact O-CG 3.2Å
521L71.8Confident87Confident101 Ų10155.5 Ų55.553%0.52932%0.317SS..  trans-111.20166.9-71.1169.4000109.1L353 F517L353-L521 HydrophobicContact CB-CD1 4.16Å; L353-L521 HydrophobicContact CB-CD2 3.89Å; L353-L521 HydrophobicContact CB-CG 3.93Å; L353-L521 HydrophobicContact CD1-CD2 4.41Å; L353-L521 HydrophobicContact CD1-CG 4.17Å; F517-L521 HydrophobicContact CB-CD1 4.48Å; F517-L521 HydrophobicContact CD1-CD1 3.82Å; F517-L521 WeakPolarHBondContact O-CB 3.37Å

Retrieved 521 of 521 residues in 436.2 ms (Link to these results)

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