A0A087YEX1_POEFO Loading...

Anterior gradient 2

AlphaFold DB , UniProt , Accession A0A087YEX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 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
1M61.3Low67.5Low211 Ų211125.9 Ų125.9100%1.03963%0.625SS**  0-30.70-149.8175.5-72.700112.5
2Q61.4Low67.4Low162 Ų162119.6 Ų119.676%0.75760%0.602SS**Hα-helixtrans-70.4-36176.6-79.7163.7-50.500115I4 T5 E6Q2-I4 VanDerWaalsContact C-N 3.3Å; Q2-I4 PolarHBondContact O-N 3.12Å; Q2-T5 PolarHBondContact O-N 3.11Å; Q2-T5 PolarHBondContact O-OG1 3.4Å; Q2-E6 PolarHBondContact O-N 3.06Å
3E66.8Low66.8Low158 Ų158120.9 Ų120.974%0.73861%0.605SS**Hα-helixtrans-60.7-38.5-179.5-123.3175.1162.200113E6 L7E3-E6 PolarHBondContact O-N 2.59Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 2.87Å
4I70.4Confident66.4Low105 Ų105118.3 Ų118.354%0.53860%0.598SS.*Hα-helixtrans-68.9-38.7-179.4-63.2174.9000110.2Q2 E6 L7 W8Q2-I4 VanDerWaalsContact C-N 3.3Å; Q2-I4 PolarHBondContact O-N 3.12Å; I4-E6 PolarHBondContact O-N 3.48Å; I4-L7 PolarHBondContact O-N 3.13Å; I4-W8 PolarHBondContact O-N 2.72Å; I4-W8 VanDerWaalsContact O-N 3.15Å
5T71.7Confident66.2Low90 Ų90115.1 Ų115.155%0.55259%0.587SS**Hα-helixtrans-67.6-33.9179.647.40000113.2Q2 S9Q2-T5 PolarHBondContact O-N 3.11Å; Q2-T5 PolarHBondContact O-OG1 3.4Å; T5-S9 PolarHBondContact O-N 3.36Å; T5-S9 VanDerWaalsContact O-N 3.08Å; T5-S9 PolarHBondContact O-OG 3.1Å
6E70.3Confident66.2Low122 Ų122116.2 Ų116.257%0.5759%0.586SS**Hα-helixtrans-72.3-35175.4-71.8-176.7162.100112.5Q2 E3 I4 S9 N10Q2-E6 PolarHBondContact O-N 3.06Å; E3-E6 PolarHBondContact O-N 2.59Å; I4-E6 PolarHBondContact O-N 3.48Å; E6-S9 WeakPolarHBondContact CA-OG 3.18Å; E6-S9 PolarHBondContact O-N 2.8Å; E6-S9 PolarHBondContact O-OG 2.94Å; E6-N10 WeakPolarHBondContact O-CB 3.32Å; E6-N10 VanDerWaalsContact O-CG 3.29Å; E6-N10 PolarHBondContact O-N 3.32Å; E6-N10 PolarHBondContact O-ND2 3.06Å
7L71Confident66.3Low119 Ų119113.4 Ų113.462%0.62358%0.58SS**Hα-helixtrans-66.1-39.2175-70.5172.1000111.7E3 I4 L11E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 2.87Å; I4-L7 PolarHBondContact O-N 3.13Å; L7-L11 VanDerWaalsContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 3.12Å
8W68.6Low66.4Low173 Ų173110.2 Ų110.266%0.65557%0.57SS**Hα-helixtrans-70.8-36.3175.7-72.7112.1000113.2I4 L11 S12I4-W8 PolarHBondContact O-N 2.72Å; I4-W8 VanDerWaalsContact O-N 3.15Å; W8-L11 HydrophobicContact CE3-CD2 4.28Å; W8-L11 HydrophobicContact CZ3-CD2 4.19Å; W8-S12 WeakPolarHBondContact O-CB 3.48Å; W8-S12 PolarHBondContact O-N 3.2Å
9S68.8Low66.6Low59 Ų59115 Ų11541%0.41358%0.58SS.*Hα-helixtrans-66.3-44.7175.866.80000111T5 E6 S12 Q13T5-S9 PolarHBondContact O-N 3.36Å; T5-S9 VanDerWaalsContact O-N 3.08Å; T5-S9 PolarHBondContact O-OG 3.1Å; E6-S9 WeakPolarHBondContact CA-OG 3.18Å; E6-S9 PolarHBondContact O-N 2.8Å; E6-S9 PolarHBondContact O-OG 2.94Å; S9-S12 PolarHBondContact O-N 2.81Å; S9-Q13 WeakPolarHBondContact O-CB 3.29Å; S9-Q13 PolarHBondContact O-N 3.22Å
10N65.4Low67Low90 Ų90115.7 Ų115.748%0.48158%0.582SS.*Hα-helixtrans-65.1-40.3176.7-73.3-25.5000112.4E6 Q13 T14E6-N10 WeakPolarHBondContact O-CB 3.32Å; E6-N10 VanDerWaalsContact O-CG 3.29Å; E6-N10 PolarHBondContact O-N 3.32Å; E6-N10 PolarHBondContact O-ND2 3.06Å; N10-Q13 PolarHBondContact O-N 3Å; N10-T14 WeakPolarHBondContact O-CB 3.43Å; N10-T14 VanDerWaalsContact O-CG2 3.24Å; N10-T14 WeakPolarHBondContact O-CG2 3.38Å; N10-T14 PolarHBondContact O-N 2.9Å; N10-T14 PolarHBondContact O-OG1 3Å
11L66.9Low67.2Low96 Ų96113.9 Ų113.950%0.50358%0.577SS.*Hα-helixtrans-67-38.3174.9-169.267.3000112L7 W8 T14 T15L7-L11 VanDerWaalsContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 3.12Å; W8-L11 HydrophobicContact CE3-CD2 4.28Å; W8-L11 HydrophobicContact CZ3-CD2 4.19Å; L11-T14 WeakPolarHBondContact CA-OG1 3.5Å; L11-T14 PolarHBondContact O-OG1 3Å; L11-T15 WeakPolarHBondContact O-CB 3.45Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.98Å; L11-T15 PolarHBondContact O-OG1 3.47Å
12S65.9Low67.6Low50 Ų50110.5 Ų110.535%0.3556%0.557SS.*Hα-helixtrans-66-38.3174.8-174.70000111.9W8 S9 T15 K16W8-S12 WeakPolarHBondContact O-CB 3.48Å; W8-S12 PolarHBondContact O-N 3.2Å; S9-S12 PolarHBondContact O-N 2.81Å; S12-T15 WeakPolarHBondContact CA-OG1 3.43Å; S12-T15 PolarHBondContact O-OG1 2.94Å; S12-K16 WeakPolarHBondContact O-CB 3.38Å; S12-K16 VanDerWaalsContact O-CG 3.23Å; S12-K16 WeakPolarHBondContact O-CG 3.43Å; S12-K16 PolarHBondContact O-N 3.48Å
13Q59.9Low68.2Low137 Ų137105.6 Ų105.664%0.6454%0.544SS*.Hα-helixtrans-74.1-40.1-179.4-161.1156.99.600112.1S9 N10 S17S9-Q13 WeakPolarHBondContact O-CB 3.29Å; S9-Q13 PolarHBondContact O-N 3.22Å; N10-Q13 PolarHBondContact O-N 3Å; Q13-S17 WeakPolarHBondContact O-CB 3.45Å; Q13-S17 PolarHBondContact O-N 3.4Å
14T60.7Low68.5Low84 Ų84102.1 Ų102.152%0.51553%0.533SS..Hα-helixtrans-65.4-41.9174.351.30000112.1N10 L11 S17 S18N10-T14 WeakPolarHBondContact O-CB 3.43Å; N10-T14 VanDerWaalsContact O-CG2 3.24Å; N10-T14 WeakPolarHBondContact O-CG2 3.38Å; N10-T14 PolarHBondContact O-N 2.9Å; N10-T14 PolarHBondContact O-OG1 3Å; L11-T14 WeakPolarHBondContact CA-OG1 3.5Å; L11-T14 PolarHBondContact O-OG1 3Å; T14-S17 PolarHBondContact O-N 2.96Å; T14-S18 PolarHBondContact O-N 3.43Å
15T63.4Low68.4Low70 Ų70102.4 Ų102.443%0.42954%0.535SS..Hα-helixtrans-68.7-38.6177.553.10000112.9L11 S12 R19L11-T15 WeakPolarHBondContact O-CB 3.45Å; L11-T15 WeakPolarHBondContact O-CG2 3.43Å; L11-T15 PolarHBondContact O-N 2.98Å; L11-T15 PolarHBondContact O-OG1 3.47Å; S12-T15 WeakPolarHBondContact CA-OG1 3.43Å; S12-T15 PolarHBondContact O-OG1 2.94Å; T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 2.84Å; T15-R19 VanDerWaalsContact O-N 3.07Å
16K66.3Low68.4Low133 Ų133101.6 Ų101.658%0.57853%0.533SS*.Hα-helixtrans-64.3-43.6172.7-76.3174.3-175.3178.10112.2S12 R19 M20S12-K16 WeakPolarHBondContact O-CB 3.38Å; S12-K16 VanDerWaalsContact O-CG 3.23Å; S12-K16 WeakPolarHBondContact O-CG 3.43Å; S12-K16 PolarHBondContact O-N 3.48Å; K16-R19 PolarHBondContact O-N 2.86Å; K16-M20 WeakPolarHBondContact O-CB 3.38Å; K16-M20 PolarHBondContact O-N 3.41Å
17S68.4Low68.2Low69 Ų6998.1 Ų98.148%0.48353%0.526SS..Hα-helixtrans-60.5-46.8176.6-177.50000111.4Q13 T14 R19 M20 V21Q13-S17 WeakPolarHBondContact O-CB 3.45Å; Q13-S17 PolarHBondContact O-N 3.4Å; T14-S17 PolarHBondContact O-N 2.96Å; S17-R19 PolarHBondContact O-N 2.83Å; S17-M20 PolarHBondContact O-N 3.19Å; S17-V21 VanDerWaalsContact O-CG2 3.29Å; S17-V21 WeakPolarHBondContact O-CG2 3.22Å; S17-V21 PolarHBondContact O-N 3.05Å
18S68.5Low68Low56 Ų5696.6 Ų96.639%0.39252%0.521SS..Hα-helixtrans-60.9-41176.4-174.70000113T14 K22T14-S18 PolarHBondContact O-N 3.43Å; S18-K22 WeakPolarHBondContact O-CB 3.4Å; S18-K22 VanDerWaalsContact O-CG 3.28Å; S18-K22 WeakPolarHBondContact O-CG 3.45Å; S18-K22 PolarHBondContact O-N 3.36Å
19R70.7Confident67.9Low201 Ų20194.1 Ų94.176%0.75852%0.52SS*.Hα-helixtrans-65.3-41.5176-79.7177.2150.9-179.7-5112.4T15 K16 S17 K22 A23T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 2.84Å; T15-R19 VanDerWaalsContact O-N 3.07Å; K16-R19 PolarHBondContact O-N 2.86Å; S17-R19 PolarHBondContact O-N 2.83Å; R19-K22 PolarHBondContact O-N 2.62Å; R19-A23 WeakPolarHBondContact O-CB 3.29Å; R19-A23 PolarHBondContact O-N 2.91Å
20M74.1Confident67.5Low128 Ų12894.9 Ų94.963%0.63152%0.522SS*.Hα-helixtrans-66.8-44.2178.5-164.6-176.6-5500111.4K16 S17 K22 A23 V24K16-M20 WeakPolarHBondContact O-CB 3.38Å; K16-M20 PolarHBondContact O-N 3.41Å; S17-M20 PolarHBondContact O-N 3.19Å; M20-K22 VanDerWaalsContact C-N 3.34Å; M20-K22 PolarHBondContact O-N 3.06Å; M20-A23 PolarHBondContact O-N 2.83Å; M20-V24 VanDerWaalsContact O-CG2 3.29Å; M20-V24 WeakPolarHBondContact O-CG2 3.35Å; M20-V24 PolarHBondContact O-N 2.86Å
21V71Confident67.2Low79 Ų7996.3 Ų96.348%0.47953%0.529SS..Hα-helixtrans-60.8-43.1175.71720000111.2S17 V24 L25S17-V21 VanDerWaalsContact O-CG2 3.29Å; S17-V21 WeakPolarHBondContact O-CG2 3.22Å; S17-V21 PolarHBondContact O-N 3.05Å; V21-V24 PolarHBondContact O-N 3.17Å; V21-L25 HydrophobicContact CG1-CD1 3.78Å; V21-L25 HydrophobicContact CG1-CG 4.41Å; V21-L25 WeakPolarHBondContact O-CB 3.31Å; V21-L25 VanDerWaalsContact O-CG 3.28Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.5Å
22K69.8Low66.8Low140 Ų14094.9 Ų94.961%0.60953%0.531SS*.Hα-helixtrans-65-39.3175.7-72.9174.5-177.4-179.20112.7S18 R19 M20 S26S18-K22 WeakPolarHBondContact O-CB 3.4Å; S18-K22 VanDerWaalsContact O-CG 3.28Å; S18-K22 WeakPolarHBondContact O-CG 3.45Å; S18-K22 PolarHBondContact O-N 3.36Å; R19-K22 PolarHBondContact O-N 2.62Å; M20-K22 VanDerWaalsContact C-N 3.34Å; M20-K22 PolarHBondContact O-N 3.06Å; K22-S26 VanDerWaalsContact O-CB 3.25Å; K22-S26 WeakPolarHBondContact O-CB 3.29Å; K22-S26 PolarHBondContact O-N 3.26Å
23A74.1Confident66.2Low59 Ų5997.8 Ų97.849%0.48854%0.541SS..Hα-helixtrans-66.9-41.9176.700000111.9R19 M20 S26 A27R19-A23 WeakPolarHBondContact O-CB 3.29Å; R19-A23 PolarHBondContact O-N 2.91Å; M20-A23 PolarHBondContact O-N 2.83Å; A23-S26 PolarHBondContact O-N 3.35Å; A23-A27 WeakPolarHBondContact O-CB 3.33Å; A23-A27 PolarHBondContact O-N 2.99Å
24V72.6Confident65.9Low84 Ų8496 Ų9651%0.50954%0.535SS..Hα-helixtrans-65.8-45.9176172.10000111M20 V21 S26 A27 V28M20-V24 VanDerWaalsContact O-CG2 3.29Å; M20-V24 WeakPolarHBondContact O-CG2 3.35Å; M20-V24 PolarHBondContact O-N 2.86Å; V21-V24 PolarHBondContact O-N 3.17Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 2.99Å; V24-A27 PolarHBondContact O-N 3.21Å; V24-V28 HydrophobicContact CG1-CG2 4.44Å; V24-V28 VanDerWaalsContact O-CG2 3.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.31Å; V24-V28 PolarHBondContact O-N 3.22Å
25L69Low65.5Low112 Ų11296.6 Ų96.659%0.58654%0.543SS*.Hα-helixtrans-61.3-41.6176-75.7167.4000111.9V21 V28 L29V21-L25 HydrophobicContact CG1-CD1 3.78Å; V21-L25 HydrophobicContact CG1-CG 4.41Å; V21-L25 WeakPolarHBondContact O-CB 3.31Å; V21-L25 VanDerWaalsContact O-CG 3.28Å; V21-L25 WeakPolarHBondContact O-CG 3.46Å; V21-L25 PolarHBondContact O-N 3.5Å; L25-V28 PolarHBondContact O-N 2.84Å; L25-L29 WeakPolarHBondContact O-CB 3.37Å; L25-L29 PolarHBondContact O-N 3.22Å
26S70.8Confident65Low72 Ų7297.5 Ų97.550%0.50355%0.552SS.*Hα-helixtrans-63.6-44.6175.2-173.40000111.7K22 A23 V24 V28 L29 V30K22-S26 VanDerWaalsContact O-CB 3.25Å; K22-S26 WeakPolarHBondContact O-CB 3.29Å; K22-S26 PolarHBondContact O-N 3.26Å; A23-S26 PolarHBondContact O-N 3.35Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 2.99Å; S26-V28 PolarHBondContact O-N 2.7Å; S26-L29 PolarHBondContact O-N 2.85Å; S26-V30 VanDerWaalsContact O-CG2 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.28Å; S26-V30 PolarHBondContact O-N 3.43Å
27A67.4Low64.3Low50 Ų5096.3 Ų96.341%0.41356%0.556SS.*Hα-helixtrans-63.6-39.7176.900000112.4A23 V24 V30 L31A23-A27 WeakPolarHBondContact O-CB 3.33Å; A23-A27 PolarHBondContact O-N 2.99Å; V24-A27 PolarHBondContact O-N 3.21Å; A27-V30 PolarHBondContact O-N 3.47Å; A27-L31 WeakPolarHBondContact O-CB 3.38Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.28Å; A27-L31 PolarHBondContact O-N 3.37Å
28V66.1Low63.7Low87 Ų8799.9 Ų99.953%0.52757%0.568SS.*Hα-helixtrans-65.5-40.4175.1170.90000111.3V24 L25 S26 L31 A32V24-V28 HydrophobicContact CG1-CG2 4.44Å; V24-V28 VanDerWaalsContact O-CG2 3.29Å; V24-V28 WeakPolarHBondContact O-CG2 3.31Å; V24-V28 PolarHBondContact O-N 3.22Å; L25-V28 PolarHBondContact O-N 2.84Å; S26-V28 PolarHBondContact O-N 2.7Å; V28-L31 PolarHBondContact O-N 2.91Å; V28-A32 WeakPolarHBondContact O-CB 3.32Å; V28-A32 PolarHBondContact O-N 2.91Å
29L66.1Low63.2Low120 Ų120100.6 Ų100.663%0.62858%0.577SS**Hα-helixtrans-64-41.7176.4-151.689.8000111.4L25 S26 A32 I33L25-L29 WeakPolarHBondContact O-CB 3.37Å; L25-L29 PolarHBondContact O-N 3.22Å; S26-L29 PolarHBondContact O-N 2.85Å; L29-A32 PolarHBondContact O-N 3.25Å; L29-I33 WeakPolarHBondContact O-CD1 3.38Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.18Å
30V61.2Low63.2Low76 Ų7699.3 Ų99.346%0.46158%0.577SS.*Hα-helixtrans-65.2-43.2175.9171.40000111.1S26 A27 A32 I33 I34S26-V30 VanDerWaalsContact O-CG2 3.31Å; S26-V30 WeakPolarHBondContact O-CG2 3.28Å; S26-V30 PolarHBondContact O-N 3.43Å; A27-V30 PolarHBondContact O-N 3.47Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 3.12Å; V30-I33 PolarHBondContact O-N 3.11Å; V30-I34 HydrophobicContact CG1-CD1 3.76Å; V30-I34 WeakPolarHBondContact O-CD1 3.49Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.36Å; V30-I34 PolarHBondContact O-N 3.17Å; V30-I34 VanDerWaalsContact O-N 3.16Å
31L59.1Low63.3Low119 Ų11995.1 Ų95.162%0.62356%0.555SS**Hα-helixtrans-64.1-36.5176.4-73168.8000112.8A27 V28 I33 I34 S35A27-L31 WeakPolarHBondContact O-CB 3.38Å; A27-L31 VanDerWaalsContact O-CG 3.26Å; A27-L31 WeakPolarHBondContact O-CG 3.28Å; A27-L31 PolarHBondContact O-N 3.37Å; V28-L31 PolarHBondContact O-N 2.91Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-I33 PolarHBondContact O-N 3.25Å; L31-I34 PolarHBondContact O-N 3.22Å; L31-S35 PolarHBondContact O-N 3.38Å
32A57.8Low63.5Low66 Ų6697.2 Ų97.255%0.54556%0.562SS.*Hα-helixtrans-66.8-33.9176.100000112.6V28 L29 V30V28-A32 WeakPolarHBondContact O-CB 3.32Å; V28-A32 PolarHBondContact O-N 2.91Å; L29-A32 PolarHBondContact O-N 3.25Å; V30-A32 VanDerWaalsContact C-N 3.34Å; V30-A32 PolarHBondContact O-N 3.12Å
33I54.3Low63.9Low111 Ų11190.8 Ų90.857%0.56953%0.534SS*.Hα-helixtrans-72.4-37.3176.9-65.2163.2000110.9L29 V30 L31 S35 S36L29-I33 WeakPolarHBondContact O-CD1 3.38Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.18Å; V30-I33 PolarHBondContact O-N 3.11Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-I33 PolarHBondContact O-N 3.25Å; I33-S35 PolarHBondContact O-N 3.48Å; I33-S36 PolarHBondContact O-N 2.86Å; I33-S36 PolarHBondContact O-OG 3.29Å
34I53.8Low63.6Low101 Ų10195.9 Ų95.952%0.51855%0.545SS..Hα-helixtrans-71-30.5-178.6-60.2160.7000112.2V30 L31 S36 T37V30-I34 HydrophobicContact CG1-CD1 3.76Å; V30-I34 WeakPolarHBondContact O-CD1 3.49Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.36Å; V30-I34 PolarHBondContact O-N 3.17Å; V30-I34 VanDerWaalsContact O-N 3.16Å; L31-I34 PolarHBondContact O-N 3.22Å; I34-S36 PolarHBondContact O-N 3.49Å; I34-S36 VanDerWaalsContact O-N 3.15Å; I34-T37 PolarHBondContact O-N 2.86Å; I34-T37 PolarHBondContact O-OG1 2.87Å
35S51.7Low63.6Low96 Ų9696.8 Ų96.867%0.67155%0.552SS**G310 helixtrans-60.5-22.3177.5-176.70000113.9L31 I33 T37L31-S35 PolarHBondContact O-N 3.38Å; I33-S35 PolarHBondContact O-N 3.48Å; S35-T37 PolarHBondContact O-N 3.42Å; S35-T37 VanDerWaalsContact O-N 3.1Å
36S51.6Low63.8Low88 Ų8892.9 Ų92.962%0.61554%0.538SS*.G310 helixtrans-70.8-4.1-175.866.20000115.3I33 I34I33-S36 PolarHBondContact O-N 2.86Å; I33-S36 PolarHBondContact O-OG 3.29Å; I34-S36 PolarHBondContact O-N 3.49Å; I34-S36 VanDerWaalsContact O-N 3.15Å
37T52.1Low63.6Low109 Ų10998.1 Ų98.167%0.66955%0.552SS**G310 helixtrans-91.42-173.454.40000115.7I34 S35I34-T37 PolarHBondContact O-N 2.86Å; I34-T37 PolarHBondContact O-OG1 2.87Å; S35-T37 PolarHBondContact O-N 3.42Å; S35-T37 VanDerWaalsContact O-N 3.1Å
38I55.3Low64Low144 Ų14498.4 Ų98.474%0.73854%0.542SS*.G310 helixtrans-132.642.6177.9-41.8172.6000111.4K40I38-K40 PolarHBondContact O-N 2.75Å
39A59.9Low64Low70 Ų70100.9 Ų100.958%0.57955%0.551SS**  trans-75.1106.6163.900000108.1N104A39-N104 PolarHBondContact O-ND2 2.75Å
40K69.3Low63.7Low174 Ų17498.8 Ų98.876%0.75755%0.545SS*.  trans-57.4140.7168.1-74-176.3176.8-178.40109.2I38 I42I38-K40 PolarHBondContact O-N 2.75Å; K40-I42 PolarHBondContact O-N 2.91Å
41Y76.9Confident64Low40 Ų4099.9 Ų99.916%0.15755%0.545CS..  trans-56.6126.1175.7174.4-107.5000110.6P43 N104 Q107 K108 D111Y41-P43 HydrophobicContact CE1-CB 4.48Å; Y41-P43 HydrophobicContact CE1-CG 4.21Å; Y41-N104 PolarHBondContact N-OD1 2.92Å; Y41-Q107 HydrophobicContact CD1-CB 3.8Å; Y41-Q107 HydrophobicContact CG-CB 4.18Å; Y41-K108 HydrophobicContact CD2-CB 3.74Å; Y41-K108 HydrophobicContact CD2-CG 4.28Å; Y41-K108 HydrophobicContact CE2-CB 3.52Å; Y41-K108 HydrophobicContact CE2-CD 4.27Å; Y41-K108 HydrophobicContact CE2-CG 3.67Å; Y41-K108 HydrophobicContact CG-CB 4.44Å; Y41-D111 HydrophobicContact CE1-CB 4.09Å; Y41-D111 WeakPolarHBondContact OH-CB 3.4Å; Y41-D111 PolarHBondContact OH-OD2 2.79Å
42I75.3Confident65Low123 Ų123100.5 Ų100.563%0.63155%0.554SS**  trans-111.7124173.2-59.7174.5000106.7K40K40-I42 PolarHBondContact O-N 2.91Å
43P77.4Confident66.6Low5 Ų599.1 Ų99.13%0.03254%0.537CS..  trans-57.3151.6176.7-23.432.2000112.2Y41 T45 G46 Q60Y41-P43 HydrophobicContact CE1-CB 4.48Å; Y41-P43 HydrophobicContact CE1-CG 4.21Å; P43-T45 PolarHBondContact O-N 3.17Å; P43-T45 VanDerWaalsContact O-N 3.09Å; P43-G46 PolarHBondContact O-N 3.27Å; P43-Q60 HydrophobicContact CG-CB 3.61Å; P43-Q60 HydrophobicContact CG-CG 4.23Å
44K68.3Low68.4Low166 Ų16694.1 Ų94.172%0.72251%0.512SS*.THydrogen-bonded Turntrans-57.5-27.9177.8-70.9179.4180158.20113.2G46 E112K44-G46 VanDerWaalsContact C-N 3.33Å; K44-E112 WeakPolarHBondContact CE-OE1 3.45Å; K44-E112 VanDerWaalsContact NZ-CD 3.31Å; K44-E112 IonicContact NZ-OE1 3.67Å; K44-E112 PolarHBondContact NZ-OE1 3.19Å; K44-E112 IonicContact NZ-OE2 3.44Å
45T73.4Confident70.4Confident104 Ų10493 Ų9364%0.63850%0.501SS*.THydrogen-bonded Turntrans-9213.3178.959.30000113.4P43 R48P43-T45 PolarHBondContact O-N 3.17Å; P43-T45 VanDerWaalsContact O-N 3.09Å; T45-R48 PolarHBondContact OG1-NE 2.92Å; T45-R48 VanDerWaalsContact OG1-NE 3.12Å; T45-R48 PolarHBondContact OG1-NH2 2.92Å
46G71.3Confident72.4Confident30 Ų3089.7 Ų89.731%0.30948%0.482SS..  trans81.5179.5-174.700000113.5P43 K44 R48P43-G46 PolarHBondContact O-N 3.27Å; K44-G46 VanDerWaalsContact C-N 3.33Å; G46-R48 PolarHBondContact O-N 2.82Å
47K68.1Low74.6Confident181 Ų18185.5 Ų85.579%0.78745%0.453SS*.PPolyproline II helixtrans-68.5117.4-177-165.5-178.1-178.8-177.10110.2Q60K47-Q60 VanDerWaalsContact CG-OE1 3.31Å
48R74.5Confident76.6Confident56 Ų5680.4 Ų80.421%0.21142%0.422CS..PPolyproline II helixtrans-83.1150176.1-57-174.2-172.2116.4-1.8109.9T45 G46 Q60 D111T45-R48 PolarHBondContact OG1-NE 2.92Å; T45-R48 VanDerWaalsContact OG1-NE 3.12Å; T45-R48 PolarHBondContact OG1-NH2 2.92Å; G46-R48 PolarHBondContact O-N 2.82Å; R48-Q60 PolarHBondContact NH1-O 3.3Å; R48-Q60 PolarHBondContact O-NE2 2.83Å; R48-D111 IonicContact CZ-OD1 4Å; R48-D111 IonicContact CZ-OD2 3.97Å; R48-D111 IonicContact NH1-OD1 3.51Å; R48-D111 PolarHBondContact NH1-OD1 2.96Å; R48-D111 IonicContact NH1-OD2 2.7Å; R48-D111 IonicContact NH2-OD1 3.49Å; R48-D111 PolarHBondContact NH2-OD1 3.26Å; R48-D111 IonicContact NH2-OD2 3.56Å; R48-D111 PolarHBondContact NH2-OD2 3.07Å
49I65.8Low78.4Confident140 Ų14076.9 Ų76.972%0.71840%0.404SS*.PPolyproline II helixtrans-61.6126.9172.5-62171.1000107.4Q51I49-Q51 PolarHBondContact O-N 2.73Å; I49-Q51 VanDerWaalsContact O-N 3.09Å
50P61.6Low79.8Confident76 Ų7674.8 Ų74.849%0.49438%0.383SS..PPolyproline II helixtrans-52.4118.6177.4-27.335.4000110.7D59P50-D59 HydrophobicContact CB-CB 4.03Å; P50-D59 HydrophobicContact CG-CB 4.37Å
51Q67.1Low81Confident98 Ų9866.7 Ų66.746%0.45835%0.348SS..PPolyproline II helixtrans-76.3133.2171.9-62.6-65.4-36.900108I49 L53 S54I49-Q51 PolarHBondContact O-N 2.73Å; I49-Q51 VanDerWaalsContact O-N 3.09Å; Q51-L53 HydrophobicContact CB-CB 4.38Å; Q51-L53 PolarHBondContact O-N 3.14Å; Q51-S54 PolarHBondContact O-N 3.19Å; Q51-S54 PolarHBondContact O-OG 3.28Å
52T80.7Confident81.8Confident132 Ų13269.1 Ų69.181%0.8136%0.363SS*.G310 helixtrans-58-22.8173530000112S54T52-S54 VanDerWaalsContact C-N 3.27Å; T52-S54 PolarHBondContact O-N 3.2Å
53L89.9Confident82.8Confident38 Ų3863.7 Ų63.720%0.19933%0.334CS..G310 helixtrans-66.2-20.9176.2-62.7177.4000114.1Q51 R55 W63 Q65 N118Q51-L53 HydrophobicContact CB-CB 4.38Å; Q51-L53 PolarHBondContact O-N 3.14Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 2.64Å; L53-R55 PolarHBondContact O-NH1 3.06Å; L53-W63 HydrophobicContact CB-CB 3.92Å; L53-Q65 HydrophobicContact CD1-CB 4.21Å; L53-Q65 HydrophobicContact CD2-CG 4.33Å; L53-N118 PolarHBondContact O-ND2 3.47Å
54S92.8Very high83.7Confident5 Ų563.6 Ų63.64%0.03533%0.334CS..G310 helixtrans-66.7-32.1-178.373.40000112.7Q51 T52 G56 W57 D59Q51-S54 PolarHBondContact O-N 3.19Å; Q51-S54 PolarHBondContact O-OG 3.28Å; T52-S54 VanDerWaalsContact C-N 3.27Å; T52-S54 PolarHBondContact O-N 3.2Å; S54-G56 PolarHBondContact O-N 3.27Å; S54-G56 PolarHBondContact OG-N 2.69Å; S54-W57 WeakPolarHBondContact O-CB 3.33Å; S54-W57 PolarHBondContact O-N 2.97Å; S54-D59 WeakPolarHBondContact CB-OD1 3.31Å; S54-D59 PolarHBondContact OG-OD1 2.87Å
55R94.9Very high85Confident78 Ų7861.8 Ų61.829%0.29433%0.328SS..THydrogen-bonded Turntrans5024.7-173.7-54.6-173179.881.91113.9L53 K97 N118 M120L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 2.64Å; L53-R55 PolarHBondContact O-NH1 3.06Å; R55-K97 WeakPolarHBondContact O-CD 3.38Å; R55-K97 PolarHBondContact O-NZ 2.66Å; R55-N118 WeakPolarHBondContact CD-OD1 3.44Å; R55-N118 PolarHBondContact NH1-O 3.24Å; R55-N118 PolarHBondContact NH1-OD1 3.16Å; R55-M120 VanDerWaalsContact CD-SD 3.59Å
56G94.6Very high86Confident26 Ų2659.2 Ų59.227%0.26831%0.312SS..THydrogen-bonded Turntrans866.9-177.600000115.9S54 G58 K97 S101S54-G56 PolarHBondContact O-N 3.27Å; S54-G56 PolarHBondContact OG-N 2.69Å; G56-G58 VanDerWaalsContact C-N 3.32Å; G56-K97 WeakPolarHBondContact O-CG 3.35Å; G56-S101 VanDerWaalsContact O-CB 3.25Å; G56-S101 WeakPolarHBondContact O-CB 3.48Å; G56-S101 PolarHBondContact O-OG 3.1Å
57W96.8Very high87.2Confident0 Ų058.7 Ų58.70%030%0.301CS..SBendtrans-79.7-13.3174.9-7293.8000113.5S54 W63 I84 H86 L96 K97 F100 Q107S54-W57 WeakPolarHBondContact O-CB 3.33Å; S54-W57 PolarHBondContact O-N 2.97Å; W57-W63 HydrophobicContact CB-CH2 3.59Å; W57-W63 HydrophobicContact CB-CZ2 3.5Å; W57-W63 VanDerWaalsContact CB-CZ2 3.5Å; W57-W63 HydrophobicContact CG-CH2 4.41Å; W57-I84 HydrophobicContact CD2-CD1 4.1Å; W57-I84 HydrophobicContact CD2-CG2 4.24Å; W57-I84 HydrophobicContact CE3-CD1 3.8Å; W57-I84 HydrophobicContact CE3-CG2 4.29Å; W57-I84 HydrophobicContact CH2-CG2 3.82Å; W57-I84 HydrophobicContact CZ2-CG2 3.73Å; W57-I84 HydrophobicContact CZ3-CD1 4.28Å; W57-I84 HydrophobicContact CZ3-CG2 4.09Å; W57-H86 AromaticContact CD1-NE2 3.93Å; W57-H86 AromaticContact CE2-CG 3.99Å; W57-H86 HydrophobicContact CZ2-CB 3.75Å; W57-H86 AromaticContact CZ2-CG 4Å; W57-H86 AromaticContact NE1-CD2 3.38Å; W57-H86 PolarHBondContact NE1-CD2 2.71Å; W57-H86 AromaticContact NE1-CE1 3.52Å; W57-H86 AromaticContact NE1-CG 3.41Å; W57-H86 AromaticContact NE1-ND1 3.48Å; W57-H86 PolarHBondContact NE1-ND1 3.44Å; W57-H86 AromaticContact NE1-NE2 3.43Å; W57-H86 PolarHBondContact NE1-NE2 3.07Å; W57-L96 HydrophobicContact CH2-CB 4.33Å; W57-L96 HydrophobicContact CH2-CD2 4.04Å; W57-L96 HydrophobicContact CH2-CG 4.09Å; W57-L96 HydrophobicContact CZ3-CD2 4.32Å; W57-L96 HydrophobicContact CZ3-CG 4.16Å; W57-K97 HydrophobicContact CD2-CB 4.07Å; W57-K97 HydrophobicContact CD2-CD 4.28Å; W57-K97 HydrophobicContact CD2-CG 3.91Å; W57-K97 HydrophobicContact CE3-CB 4.26Å; W57-K97 HydrophobicContact CE3-CG 4.39Å; W57-K97 HydrophobicContact CG-CD 4.14Å; W57-K97 HydrophobicContact CG-CG 4.08Å; W57-K97 HydrophobicContact CH2-CB 4.04Å; W57-K97 HydrophobicContact CZ2-CB 3.85Å; W57-K97 HydrophobicContact CZ2-CG 4.47Å; W57-K97 HydrophobicContact CZ3-CB 4.25Å; W57-F100 HydrophobicContact CB-CE1 4.44Å; W57-F100 HydrophobicContact CE3-CB 4.06Å; W57-F100 AromaticContact CE3-CD1 3.59Å; W57-F100 HydrophobicContact CE3-CD1 3.59Å; W57-F100 HydrophobicContact CE3-CD2 4.26Å; W57-F100 AromaticContact CE3-CE1 3.98Å; W57-F100 HydrophobicContact CE3-CE1 3.98Å; W57-F100 AromaticContact CE3-CG 3.71Å; W57-F100 HydrophobicContact CE3-CG 3.71Å; W57-F100 HydrophobicContact CE3-CZ 4.44Å; W57-F100 HydrophobicContact CZ3-CB 4Å; W57-F100 HydrophobicContact CZ3-CD1 4.26Å; W57-F100 HydrophobicContact CZ3-CD2 4.17Å; W57-F100 AromaticContact CZ3-CG 3.9Å; W57-F100 HydrophobicContact CZ3-CG 3.9Å; W57-F100 WeakPolarHBondContact O-CD1 3.42Å; W57-F100 VanDerWaalsContact O-CE1 3.26Å; W57-F100 WeakPolarHBondContact O-CE1 3.46Å; W57-Q107 PolarHBondContact O-NE2 3.02Å
58G94.7Very high88.5Confident2 Ų256 Ų562%0.02129%0.291CS..  trans159.486-178.500000111.1G56 Q60 L61 W63G56-G58 VanDerWaalsContact C-N 3.32Å; G58-Q60 PolarHBondContact O-N 2.75Å; G58-Q60 VanDerWaalsContact O-N 3.1Å; G58-L61 WeakPolarHBondContact O-CB 3.45Å; G58-L61 PolarHBondContact O-N 3.39Å; G58-L61 VanDerWaalsContact O-N 3.09Å; G58-W63 PolarHBondContact O-NE1 2.96Å
59D92.5Very high89.6Confident70 Ų7056.3 Ų56.337%0.37430%0.295SS..THydrogen-bonded Turntrans-66-15.6-173.3-64.6-11.7000113.8P50 S54P50-D59 HydrophobicContact CB-CB 4.03Å; P50-D59 HydrophobicContact CG-CB 4.37Å; S54-D59 WeakPolarHBondContact CB-OD1 3.31Å; S54-D59 PolarHBondContact OG-OD1 2.87Å
60Q90.9Very high91.1Very high27 Ų2749.7 Ų49.713%0.12626%0.261CS..THydrogen-bonded Turntrans-93.4-10.6-179.6-63-55.8-63.300112.8P43 K47 R48 G58P43-Q60 HydrophobicContact CG-CB 3.61Å; P43-Q60 HydrophobicContact CG-CG 4.23Å; K47-Q60 VanDerWaalsContact CG-OE1 3.31Å; R48-Q60 PolarHBondContact NH1-O 3.3Å; R48-Q60 PolarHBondContact O-NE2 2.83Å; G58-Q60 PolarHBondContact O-N 2.75Å; G58-Q60 VanDerWaalsContact O-N 3.1Å
61L93Very high92.8Very high4 Ų447.4 Ų47.42%0.02124%0.244CC..SBendtrans-82.7157.4179-55.7176.3000111.4G58 W63 Q107 L110 D111 V116G58-L61 WeakPolarHBondContact O-CB 3.45Å; G58-L61 PolarHBondContact O-N 3.39Å; G58-L61 VanDerWaalsContact O-N 3.09Å; L61-W63 HydrophobicContact CD1-CZ2 3.9Å; L61-Q107 WeakPolarHBondContact CD2-O 3.06Å; L61-L110 HydrophobicContact CD1-CB 3.87Å; L61-L110 HydrophobicContact CD1-CD1 3.8Å; L61-L110 HydrophobicContact CD2-CB 3.97Å; L61-D111 HydrophobicContact CD2-CB 3.77Å; L61-V116 HydrophobicContact CB-CG2 4.22Å; L61-V116 HydrophobicContact CD1-CG2 4.46Å
62I94.3Very high94.2Very high91 Ų9150.3 Ų50.347%0.46725%0.252SS..  trans-95.5104.9173.1-57.9173.9000108W73 V116I62-W73 HydrophobicContact CG2-CH2 4.32Å; I62-W73 HydrophobicContact CG2-CZ3 4.17Å; I62-V116 WeakPolarHBondContact O-CG2 3.5Å
63W96.9Very high95.1Very high9 Ų945.9 Ų45.93%0.03422%0.221CC..BIsolated β-bridgetrans-89.7132.7-178.1-66.587.5000111.4L53 W57 G58 L61 I84 V116 N118L53-W63 HydrophobicContact CB-CB 3.92Å; W57-W63 HydrophobicContact CB-CH2 3.59Å; W57-W63 HydrophobicContact CB-CZ2 3.5Å; W57-W63 VanDerWaalsContact CB-CZ2 3.5Å; W57-W63 HydrophobicContact CG-CH2 4.41Å; G58-W63 PolarHBondContact O-NE1 2.96Å; L61-W63 HydrophobicContact CD1-CZ2 3.9Å; W63-I84 HydrophobicContact CH2-CD1 3.98Å; W63-I84 HydrophobicContact CZ3-CD1 4.32Å; W63-V116 HydrophobicContact CD2-CB 4.36Å; W63-V116 HydrophobicContact CD2-CG2 3.72Å; W63-V116 HydrophobicContact CE3-CB 3.8Å; W63-V116 HydrophobicContact CE3-CG2 3.66Å; W63-V116 HydrophobicContact CG-CG2 4.2Å; W63-V116 HydrophobicContact CH2-CB 4.2Å; W63-V116 HydrophobicContact CH2-CG2 4.38Å; W63-V116 HydrophobicContact CZ2-CG2 4.43Å; W63-V116 HydrophobicContact CZ3-CB 3.72Å; W63-V116 HydrophobicContact CZ3-CG2 4.01Å; W63-N118 HydrophobicContact CE3-CB 4.2Å; W63-N118 HydrophobicContact CH2-CB 4.41Å; W63-N118 HydrophobicContact CZ3-CB 3.73Å; W63-N118 WeakPolarHBondContact CZ3-ND2 3.43Å
64A96.6Very high95.5Very high3 Ų344.1 Ų44.13%0.02521%0.212CC..  trans-69.8149.316600000110.1E69 A70 W73 V116 L117A64-E69 HydrophobicContact CB-CG 4.47Å; A64-A70 HydrophobicContact CB-CB 3.65Å; A64-W73 HydrophobicContact CB-CE3 4Å; A64-W73 HydrophobicContact CB-CH2 4.44Å; A64-W73 HydrophobicContact CB-CZ3 3.81Å; A64-V116 PolarHBondContact N-O 2.71Å; A64-L117 HydrophobicContact CB-CD1 4.37Å; A64-L117 VanDerWaalsContact O-CD1 3.3Å; A64-L117 WeakPolarHBondContact O-CD1 3.41Å
65Q94.4Very high95.7Very high128 Ų12852.1 Ų52.160%0.59824%0.241SC*.SBendtrans-88.8-37.4-178.8-174.6172.9-5.300112.3L53 E69L53-Q65 HydrophobicContact CD1-CB 4.21Å; L53-Q65 HydrophobicContact CD2-CG 4.33Å; Q65-E69 WeakPolarHBondContact CB-OE2 3.29Å; Q65-E69 PolarHBondContact N-OE2 3.48Å
66T95.4Very high95.8Very high49 Ų4951.6 Ų51.630%0.30125%0.25SC..SBendtrans-127165.1179.885.90000112.2E68 E69 A70T66-E68 VanDerWaalsContact C-N 3.35Å; T66-E68 VanDerWaalsContact CB-OE2 3.26Å; T66-E68 WeakPolarHBondContact CB-OE2 3.25Å; T66-E68 PolarHBondContact OG1-N 3.43Å; T66-E68 PolarHBondContact OG1-OE2 3.28Å; T66-E69 PolarHBondContact OG1-N 2.72Å; T66-A70 WeakPolarHBondContact O-CB 3.43Å; T66-A70 PolarHBondContact O-N 3.27Å
67Y96.1Very high95.9Very high20 Ų2056.3 Ų56.38%0.07826%0.259CS..Hα-helixtrans-66.3-38.7178.2-175.5-130.8000111.9A70 L71 L81 V83 L117 D125 L128Y67-A70 WeakPolarHBondContact O-CB 3.33Å; Y67-A70 PolarHBondContact O-N 2.86Å; Y67-L71 HydrophobicContact CD1-CD1 3.96Å; Y67-L71 HydrophobicContact CD2-CD1 4.46Å; Y67-L71 HydrophobicContact CD2-CG 4.21Å; Y67-L71 HydrophobicContact CE1-CD1 3.64Å; Y67-L71 HydrophobicContact CE1-CG 4.32Å; Y67-L71 HydrophobicContact CE2-CD1 4.15Å; Y67-L71 HydrophobicContact CE2-CD2 4Å; Y67-L71 HydrophobicContact CE2-CG 3.91Å; Y67-L71 HydrophobicContact CG-CD1 4.37Å; Y67-L71 WeakPolarHBondContact O-CB 3.27Å; Y67-L71 VanDerWaalsContact O-CG 3.31Å; Y67-L71 WeakPolarHBondContact O-CG 3.35Å; Y67-L71 PolarHBondContact O-N 3.19Å; Y67-L81 HydrophobicContact CD2-CD2 4.18Å; Y67-L81 HydrophobicContact CE2-CD2 3.9Å; Y67-V83 HydrophobicContact CE2-CG2 4.25Å; Y67-L117 HydrophobicContact CD2-CD2 3.96Å; Y67-D125 HydrophobicContact CE1-CB 4.23Å; Y67-D125 PolarHBondContact OH-OD2 2.96Å; Y67-L128 HydrophobicContact CD1-CD1 4.36Å; Y67-L128 HydrophobicContact CD2-CD1 4.27Å; Y67-L128 HydrophobicContact CE1-CD1 3.96Å; Y67-L128 HydrophobicContact CE2-CD1 3.88Å; Y67-L128 HydrophobicContact CE2-CD2 4.46Å
68E95.4Very high95.9Very high124 Ų12461.4 Ų61.458%0.57929%0.286SS*.Hα-helixtrans-65-43.2178.4-56.473.4-160.900111.4T66 A70 L71 Y72T66-E68 VanDerWaalsContact C-N 3.35Å; T66-E68 VanDerWaalsContact CB-OE2 3.26Å; T66-E68 WeakPolarHBondContact CB-OE2 3.25Å; T66-E68 PolarHBondContact OG1-N 3.43Å; T66-E68 PolarHBondContact OG1-OE2 3.28Å; E68-A70 VanDerWaalsContact C-N 3.35Å; E68-L71 PolarHBondContact O-N 2.98Å; E68-Y72 WeakPolarHBondContact O-CB 3.37Å; E68-Y72 PolarHBondContact O-N 2.82Å
69E96.6Very high96.1Very high63 Ų6364 Ų6429%0.29430%0.297SS..Hα-helixtrans-62.3-44.3173.9-179.3-179.5-142.100111A64 Q65 T66 L71 Y72 W73A64-E69 HydrophobicContact CB-CG 4.47Å; Q65-E69 WeakPolarHBondContact CB-OE2 3.29Å; Q65-E69 PolarHBondContact N-OE2 3.48Å; T66-E69 PolarHBondContact OG1-N 2.72Å; E69-L71 PolarHBondContact O-N 3.26Å; E69-Y72 PolarHBondContact O-N 3.45Å; E69-W73 HydrophobicContact CG-CD2 4.2Å; E69-W73 HydrophobicContact CG-CH2 4.44Å; E69-W73 HydrophobicContact CG-CZ2 3.82Å; E69-W73 PolarHBondContact O-N 2.79Å; E69-W73 WeakPolarHBondContact OE1-CZ2 3.48Å
70A97.6Very high96.4Very high0 Ų061 Ų610%028%0.282CS..Hα-helixtrans-62.4-4317900000112.1A64 T66 Y67 E68 W73 S74 L81 I115 L117A64-A70 HydrophobicContact CB-CB 3.65Å; T66-A70 WeakPolarHBondContact O-CB 3.43Å; T66-A70 PolarHBondContact O-N 3.27Å; Y67-A70 WeakPolarHBondContact O-CB 3.33Å; Y67-A70 PolarHBondContact O-N 2.86Å; E68-A70 VanDerWaalsContact C-N 3.35Å; A70-W73 PolarHBondContact O-N 3.26Å; A70-S74 VanDerWaalsContact O-CB 3.29Å; A70-S74 WeakPolarHBondContact O-CB 3.28Å; A70-S74 PolarHBondContact O-N 3.03Å; A70-L81 HydrophobicContact CB-CD1 3.72Å; A70-L81 HydrophobicContact CB-CD2 3.75Å; A70-L81 HydrophobicContact CB-CG 4.4Å; A70-I115 HydrophobicContact CB-CG2 4.27Å; A70-L117 HydrophobicContact CB-CB 4.14Å; A70-L117 HydrophobicContact CB-CD2 4.04Å
71L97.4Very high96.7Very high28 Ų2859.8 Ų59.815%0.14728%0.276CS..Hα-helixtrans-63.3-43.2173.9-73.7175.5000111.7Y67 E68 E69 S74 R75 L81 V141 M145Y67-L71 HydrophobicContact CD1-CD1 3.96Å; Y67-L71 HydrophobicContact CD2-CD1 4.46Å; Y67-L71 HydrophobicContact CD2-CG 4.21Å; Y67-L71 HydrophobicContact CE1-CD1 3.64Å; Y67-L71 HydrophobicContact CE1-CG 4.32Å; Y67-L71 HydrophobicContact CE2-CD1 4.15Å; Y67-L71 HydrophobicContact CE2-CD2 4Å; Y67-L71 HydrophobicContact CE2-CG 3.91Å; Y67-L71 HydrophobicContact CG-CD1 4.37Å; Y67-L71 WeakPolarHBondContact O-CB 3.27Å; Y67-L71 VanDerWaalsContact O-CG 3.31Å; Y67-L71 WeakPolarHBondContact O-CG 3.35Å; Y67-L71 PolarHBondContact O-N 3.19Å; E68-L71 PolarHBondContact O-N 2.98Å; E69-L71 PolarHBondContact O-N 3.26Å; L71-S74 PolarHBondContact O-N 2.97Å; L71-R75 PolarHBondContact O-N 2.95Å; L71-L81 HydrophobicContact CD2-CD2 4.16Å; L71-L81 HydrophobicContact CG-CD2 4.5Å; L71-V141 HydrophobicContact CD2-CG1 3.97Å; L71-M145 HydrophobicContact CD2-CG 4.48Å
72Y97.8Very high97Very high159 Ų15959.6 Ų59.662%0.62428%0.275SS*.Hα-helixtrans-60.9-45.1176173-104000111.7E68 E69 S76E68-Y72 WeakPolarHBondContact O-CB 3.37Å; E68-Y72 PolarHBondContact O-N 2.82Å; E69-Y72 PolarHBondContact O-N 3.45Å; Y72-S76 VanDerWaalsContact O-CB 3.28Å; Y72-S76 WeakPolarHBondContact O-CB 3.41Å; Y72-S76 PolarHBondContact O-N 3.01Å; Y72-S76 PolarHBondContact O-OG 3.45Å
73W98.1Very high97.2Very high40 Ų4055.3 Ų55.315%0.15225%0.253CS..Hα-helixtrans-65.2-40.1174.9-70.3-0.3000112.5I62 A64 E69 A70 S76 R77 I115I62-W73 HydrophobicContact CG2-CH2 4.32Å; I62-W73 HydrophobicContact CG2-CZ3 4.17Å; A64-W73 HydrophobicContact CB-CE3 4Å; A64-W73 HydrophobicContact CB-CH2 4.44Å; A64-W73 HydrophobicContact CB-CZ3 3.81Å; E69-W73 HydrophobicContact CG-CD2 4.2Å; E69-W73 HydrophobicContact CG-CH2 4.44Å; E69-W73 HydrophobicContact CG-CZ2 3.82Å; E69-W73 PolarHBondContact O-N 2.79Å; E69-W73 WeakPolarHBondContact OE1-CZ2 3.48Å; A70-W73 PolarHBondContact O-N 3.26Å; W73-S76 WeakPolarHBondContact CA-OG 2.95Å; W73-S76 PolarHBondContact O-N 2.85Å; W73-S76 PolarHBondContact O-OG 2.99Å; W73-R77 VanDerWaalsContact O-CB 3.28Å; W73-R77 WeakPolarHBondContact O-CB 3.36Å; W73-R77 WeakPolarHBondContact O-CG 3.45Å; W73-R77 PolarHBondContact O-N 2.95Å; W73-I115 HydrophobicContact CB-CD1 3.89Å; W73-I115 HydrophobicContact CB-CG1 4.02Å; W73-I115 HydrophobicContact CB-CG2 4.05Å; W73-I115 HydrophobicContact CE3-CG2 4.07Å
74S98.1Very high97.3Very high1 Ų154.9 Ų54.91%0.00725%0.251CS..Hα-helixtrans-59.9-49.2179.6175.10000110.9A70 L71 N78 K79A70-S74 VanDerWaalsContact O-CB 3.29Å; A70-S74 WeakPolarHBondContact O-CB 3.28Å; A70-S74 PolarHBondContact O-N 3.03Å; L71-S74 PolarHBondContact O-N 2.97Å; S74-N78 VanDerWaalsContact O-CA 3.29Å; S74-N78 WeakPolarHBondContact O-CA 3.26Å; S74-N78 PolarHBondContact O-N 2.74Å; S74-K79 VanDerWaalsContact CA-O 3.31Å; S74-K79 WeakPolarHBondContact CA-O 3.35Å; S74-K79 WeakPolarHBondContact CB-O 3.25Å; S74-K79 PolarHBondContact O-N 3.03Å; S74-K79 PolarHBondContact OG-O 2.95Å
75R97.2Very high97.4Very high172 Ų17254.9 Ų54.965%0.64925%0.251SS*.Hα-helixtrans-67.1-47.1177.4179.9175.3157.7139.3-1.8112.6L71 R77 N78L71-R75 PolarHBondContact O-N 2.95Å; R75-R77 PolarHBondContact O-N 3.17Å; R75-N78 PolarHBondContact O-N 2.89Å
76S97.3Very high97.6Very high68 Ų6848.9 Ų48.948%0.47622%0.223SC..Hα-helixtrans-69-33-176570000113.6Y72 W73Y72-S76 VanDerWaalsContact O-CB 3.28Å; Y72-S76 WeakPolarHBondContact O-CB 3.41Å; Y72-S76 PolarHBondContact O-N 3.01Å; Y72-S76 PolarHBondContact O-OG 3.45Å; W73-S76 WeakPolarHBondContact CA-OG 2.95Å; W73-S76 PolarHBondContact O-N 2.85Å; W73-S76 PolarHBondContact O-OG 2.99Å
77R97Very high97.6Very high125 Ų12550.3 Ų50.347%0.47223%0.228SC..Hα-helixtrans-97.1-0.9179-55.5-175.9-168.2165.35.3113W73 R75 K79W73-R77 VanDerWaalsContact O-CB 3.28Å; W73-R77 WeakPolarHBondContact O-CB 3.36Å; W73-R77 WeakPolarHBondContact O-CG 3.45Å; W73-R77 PolarHBondContact O-N 2.95Å; R75-R77 PolarHBondContact O-N 3.17Å; R77-K79 VanDerWaalsContact C-N 3.33Å; R77-K79 HydrophobicContact CB-CD 4.39Å; R77-K79 HydrophobicContact CB-CG 4.43Å; R77-K79 PolarHBondContact O-N 2.83Å
78N97.1Very high97.5Very high106 Ų10654 Ų5457%0.56725%0.246SC*.THydrogen-bonded Turntrans5050.3-176-164.342.1000112.8S74 R75S74-N78 VanDerWaalsContact O-CA 3.29Å; S74-N78 WeakPolarHBondContact O-CA 3.26Å; S74-N78 PolarHBondContact O-N 2.74Å; R75-N78 PolarHBondContact O-N 2.89Å
79K98.1Very high97.4Very high57 Ų5755.4 Ų55.425%0.24826%0.257CS..  trans-126.4137.2-178.2-77.2-178.4170.5-167.60110.6S74 R77 E112 D113 I115S74-K79 VanDerWaalsContact CA-O 3.31Å; S74-K79 WeakPolarHBondContact CA-O 3.35Å; S74-K79 WeakPolarHBondContact CB-O 3.25Å; S74-K79 PolarHBondContact O-N 3.03Å; S74-K79 PolarHBondContact OG-O 2.95Å; R77-K79 VanDerWaalsContact C-N 3.33Å; R77-K79 HydrophobicContact CB-CD 4.39Å; R77-K79 HydrophobicContact CB-CG 4.43Å; R77-K79 PolarHBondContact O-N 2.83Å; K79-E112 VanDerWaalsContact CE-O 3.25Å; K79-E112 WeakPolarHBondContact CE-O 3.47Å; K79-E112 PolarHBondContact NZ-O 3.38Å; K79-D113 WeakPolarHBondContact CB-O 3.45Å; K79-D113 WeakPolarHBondContact CG-O 3.43Å; K79-I115 HydrophobicContact CB-CD1 4.35Å; K79-I115 HydrophobicContact CB-CG1 4.16Å; K79-I115 HydrophobicContact CD-CD1 4.34Å
80P98.4Very high97.4Very high8 Ų853.2 Ų53.25%0.05225%0.249CC..PPolyproline II helixtrans-59.8147.2173.428.4-35.6000110.8D113 F114 I115 V141 L180P80-D113 WeakPolarHBondContact CD-O 3.43Å; P80-F114 HydrophobicContact CB-CD1 4.01Å; P80-F114 HydrophobicContact CB-CE1 3.75Å; P80-F114 HydrophobicContact CB-CZ 4.5Å; P80-F114 HydrophobicContact CG-CD1 3.68Å; P80-F114 HydrophobicContact CG-CE1 3.46Å; P80-F114 VanDerWaalsContact CG-CE1 3.46Å; P80-F114 HydrophobicContact CG-CE2 4.37Å; P80-F114 HydrophobicContact CG-CG 4.23Å; P80-F114 HydrophobicContact CG-CZ 3.83Å; P80-F114 WeakPolarHBondContact O-CA 3.5Å; P80-F114 WeakPolarHBondContact O-CD1 3.37Å; P80-I115 PolarHBondContact O-N 3.1Å; P80-V141 WeakPolarHBondContact CA-O 3.4Å; P80-L180 HydrophobicContact CB-CD2 4.49Å
81L98.6Very high97.4Very high0 Ų057.8 Ų57.80%028%0.279CS..EExtended strand (participates in β ladder)trans-98.4129.8175.2165.162.4000109.4Y67 A70 L71 V83 I115 L117 F140 V141Y67-L81 HydrophobicContact CD2-CD2 4.18Å; Y67-L81 HydrophobicContact CE2-CD2 3.9Å; A70-L81 HydrophobicContact CB-CD1 3.72Å; A70-L81 HydrophobicContact CB-CD2 3.75Å; A70-L81 HydrophobicContact CB-CG 4.4Å; L71-L81 HydrophobicContact CD2-CD2 4.16Å; L71-L81 HydrophobicContact CG-CD2 4.5Å; L81-V83 HydrophobicContact CD1-CG2 4.19Å; L81-V83 HydrophobicContact CD2-CG2 3.83Å; L81-V83 HydrophobicContact CG-CG2 3.71Å; L81-I115 CarbonylContact C-O 3.59Å; L81-I115 WeakPolarHBondContact CA-O 3.45Å; L81-I115 HydrophobicContact CB-CB 4.42Å; L81-I115 HydrophobicContact CD1-CB 4.06Å; L81-I115 HydrophobicContact CD1-CG2 3.9Å; L81-I115 WeakPolarHBondContact CD1-O 3.17Å; L81-L117 HydrophobicContact CD1-CB 4.05Å; L81-F140 CarbonylContact O-C 3.53Å; L81-F140 VanDerWaalsContact O-CA 3.32Å; L81-F140 WeakPolarHBondContact O-CA 3.43Å; L81-V141 HydrophobicContact CB-CB 4.15Å; L81-V141 HydrophobicContact CD2-CB 4.35Å; L81-V141 HydrophobicContact CD2-CG2 4.43Å; L81-V141 HydrophobicContact CG-CB 4.46Å; L81-V141 PolarHBondContact N-O 3.18Å; L81-V141 PolarHBondContact O-N 3.1Å
82M98.7Very high97.4Very high1 Ų161.9 Ų61.91%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-101122.1166.6-176.8178.3169.300109.6I84 F100 L110 F114 I115 L117 I138 F140M82-I84 HydrophobicContact CE-CD1 3.71Å; M82-I84 HydrophobicContact CE-CG1 3.78Å; M82-I84 HydrophobicContact CG-CG1 4.36Å; M82-F100 HydrophobicContact CE-CE2 3.39Å; M82-F100 HydrophobicContact CE-CZ 3.64Å; M82-F100 HydrophobicContact SD-CE2 4.32Å; M82-F100 HydrophobicContact SD-CZ 4.2Å; M82-L110 HydrophobicContact CB-CD2 4.43Å; M82-L110 HydrophobicContact SD-CD2 3.5Å; M82-L110 WeakPolarHBondContact SD-CD2 3.35Å; M82-F114 HydrophobicContact CB-CD1 4.01Å; M82-I115 PolarHBondContact N-O 3.48Å; M82-L117 PolarHBondContact O-N 3.15Å; M82-I138 HydrophobicContact CE-CB 4.32Å; M82-I138 HydrophobicContact CE-CD1 3.74Å; M82-I138 HydrophobicContact CE-CG1 4.03Å; M82-I138 HydrophobicContact CE-CG2 3.37Å; M82-I138 HydrophobicContact CG-CG2 4.04Å; M82-I138 HydrophobicContact SD-CG2 4.38Å; M82-F140 HydrophobicContact CB-CD1 4.18Å; M82-F140 HydrophobicContact CB-CE1 4.15Å; M82-F140 HydrophobicContact CG-CD1 4.23Å; M82-F140 HydrophobicContact CG-CE1 3.85Å; M82-F140 HydrophobicContact SD-CE1 4.09Å
83V98.5Very high97.4Very high0 Ų054.4 Ų54.40%027%0.268CS..EExtended strand (participates in β ladder)trans-110.1125.5177.8-171.20000109.5Y67 L81 F85 L117 L119 I138 L139 V141Y67-V83 HydrophobicContact CE2-CG2 4.25Å; L81-V83 HydrophobicContact CD1-CG2 4.19Å; L81-V83 HydrophobicContact CD2-CG2 3.83Å; L81-V83 HydrophobicContact CG-CG2 3.71Å; V83-F85 HydrophobicContact CG1-CD2 4.17Å; V83-F85 HydrophobicContact CG1-CE2 3.59Å; V83-F85 HydrophobicContact CG1-CZ 3.98Å; V83-L117 WeakPolarHBondContact CA-O 3.47Å; V83-L117 HydrophobicContact CG1-CD2 4.25Å; V83-L119 HydrophobicContact CG1-CD1 4.31Å; V83-I138 WeakPolarHBondContact O-CA 3.16Å; V83-L139 PolarHBondContact N-O 3.46Å; V83-L139 PolarHBondContact O-N 2.9Å; V83-V141 HydrophobicContact CG2-CG2 4.29Å
84I98.5Very high97.4Very high1 Ų157.2 Ų57.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-114.6112.4-179.9-49.2179.9000109.4W57 W63 M82 F100 L117 N118 L119 R137 I138W57-I84 HydrophobicContact CD2-CD1 4.1Å; W57-I84 HydrophobicContact CD2-CG2 4.24Å; W57-I84 HydrophobicContact CE3-CD1 3.8Å; W57-I84 HydrophobicContact CE3-CG2 4.29Å; W57-I84 HydrophobicContact CH2-CG2 3.82Å; W57-I84 HydrophobicContact CZ2-CG2 3.73Å; W57-I84 HydrophobicContact CZ3-CD1 4.28Å; W57-I84 HydrophobicContact CZ3-CG2 4.09Å; W63-I84 HydrophobicContact CH2-CD1 3.98Å; W63-I84 HydrophobicContact CZ3-CD1 4.32Å; M82-I84 HydrophobicContact CE-CD1 3.71Å; M82-I84 HydrophobicContact CE-CG1 3.78Å; M82-I84 HydrophobicContact CG-CG1 4.36Å; I84-F100 HydrophobicContact CD1-CE1 4.32Å; I84-F100 HydrophobicContact CD1-CE2 4.43Å; I84-F100 HydrophobicContact CD1-CZ 3.89Å; I84-L117 PolarHBondContact N-O 3.41Å; I84-N118 HydrophobicContact CB-CB 4.06Å; I84-N118 CarbonylContact O-C 3.51Å; I84-N118 WeakPolarHBondContact O-CA 3.26Å; I84-L119 PolarHBondContact O-N 3.45Å; I84-R137 WeakPolarHBondContact CA-O 3.42Å; I84-I138 HydrophobicContact CG1-CG1 4.31Å; I84-I138 HydrophobicContact CG2-CG1 4.23Å
85F98.4Very high97.4Very high3 Ų359.3 Ų59.31%0.01330%0.3CS..EExtended strand (participates in β ladder)trans-90.6126.9167.1-64.5-88.8000109.6V83 L119 Y121 T123 L128 V135 P136 R137 L139V83-F85 HydrophobicContact CG1-CD2 4.17Å; V83-F85 HydrophobicContact CG1-CE2 3.59Å; V83-F85 HydrophobicContact CG1-CZ 3.98Å; F85-L119 WeakPolarHBondContact CA-O 3.47Å; F85-L119 HydrophobicContact CD1-CB 3.95Å; F85-L119 HydrophobicContact CD1-CD1 4.45Å; F85-L119 HydrophobicContact CE1-CB 3.98Å; F85-L119 HydrophobicContact CE1-CD1 3.67Å; F85-L119 HydrophobicContact CE1-CG 4.46Å; F85-L119 HydrophobicContact CZ-CD1 3.95Å; F85-Y121 WeakPolarHBondContact CE1-O 3.47Å; F85-T123 HydrophobicContact CE1-CG2 4.26Å; F85-T123 HydrophobicContact CZ-CG2 4.17Å; F85-L128 HydrophobicContact CE2-CB 4.02Å; F85-L128 HydrophobicContact CE2-CD1 4.27Å; F85-L128 HydrophobicContact CZ-CB 3.97Å; F85-L128 HydrophobicContact CZ-CD1 3.84Å; F85-V135 HydrophobicContact CB-CG1 4.28Å; F85-P136 VanDerWaalsContact O-CA 3.3Å; F85-P136 WeakPolarHBondContact O-CA 3.17Å; F85-R137 HydrophobicContact CB-CB 4.18Å; F85-R137 PolarHBondContact N-O 3.43Å; F85-R137 PolarHBondContact O-N 3.45Å; F85-L139 HydrophobicContact CD2-CD1 3.84Å; F85-L139 HydrophobicContact CE2-CD1 3.75Å
86H98.3Very high97.5Very high2 Ų251.2 Ų51.21%0.00927%0.269CS..  trans-150.3167.5-178.572.899.5000111.8W57 N118 L119 M120W57-H86 AromaticContact CD1-NE2 3.93Å; W57-H86 AromaticContact CE2-CG 3.99Å; W57-H86 HydrophobicContact CZ2-CB 3.75Å; W57-H86 AromaticContact CZ2-CG 4Å; W57-H86 AromaticContact NE1-CD2 3.38Å; W57-H86 PolarHBondContact NE1-CD2 2.71Å; W57-H86 AromaticContact NE1-CE1 3.52Å; W57-H86 AromaticContact NE1-CG 3.41Å; W57-H86 AromaticContact NE1-ND1 3.48Å; W57-H86 PolarHBondContact NE1-ND1 3.44Å; W57-H86 AromaticContact NE1-NE2 3.43Å; W57-H86 PolarHBondContact NE1-NE2 3.07Å; H86-N118 PolarHBondContact NE2-OD1 3.41Å; H86-L119 PolarHBondContact N-O 3.26Å; H86-M120 VanDerWaalsContact O-CA 3.27Å; H86-M120 WeakPolarHBondContact O-CA 3.31Å
87L97.3Very high97.5Very high78 Ų7850 Ų5041%0.40826%0.256SS..  trans-127.7145.2168.5-67.8172.9000109.1D89 C90 S93 V135L87-D89 VanDerWaalsContact C-N 3.35Å; L87-C90 HydrophobicContact CB-CB 3.89Å; L87-S93 PolarHBondContact N-OG 3.28Å; L87-S93 WeakPolarHBondContact O-CB 3.39Å; L87-V135 HydrophobicContact CB-CG2 4.3Å; L87-V135 HydrophobicContact CD1-CG2 3.82Å; L87-V135 HydrophobicContact CG-CG1 4.46Å; L87-V135 HydrophobicContact CG-CG2 3.92Å
88E92.7Very high97.5Very high97 Ų9750 Ų5045%0.45326%0.259SS..THydrogen-bonded Turntrans-64.3-41.7177-79.1-178.5-177.700111.3C90 Q94 M120E88-C90 VanDerWaalsContact C-N 3.28Å; E88-C90 PolarHBondContact O-N 3.49Å; E88-Q94 WeakPolarHBondContact O-CG 3.49Å; E88-Q94 PolarHBondContact O-NE2 3.33Å; E88-M120 HydrophobicContact CB-CE 4Å; E88-M120 HydrophobicContact CG-CE 3.62Å; E88-M120 HydrophobicContact CG-SD 4.03Å
89D94.3Very high97.5Very high154 Ų15447.1 Ų47.182%0.82425%0.245SC*.THydrogen-bonded Turntrans-92.234.8-178.5-60.5-35.5000113.2L87L87-D89 VanDerWaalsContact C-N 3.35Å
90C96.4Very high97.5Very high17 Ų1744.4 Ų44.412%0.11523%0.233CC..  trans-117.1117.3175.9174.50000110.9L87 E88 H92 S93 Q94 V135L87-C90 HydrophobicContact CB-CB 3.89Å; E88-C90 VanDerWaalsContact C-N 3.28Å; E88-C90 PolarHBondContact O-N 3.49Å; C90-H92 VanDerWaalsContact C-N 3.3Å; C90-H92 PolarHBondContact O-N 2.9Å; C90-S93 WeakPolarHBondContact O-CB 3.5Å; C90-S93 PolarHBondContact O-N 3.16Å; C90-S93 VanDerWaalsContact O-N 3.08Å; C90-Q94 WeakPolarHBondContact O-CG 3.45Å; C90-Q94 PolarHBondContact O-N 3.01Å; C90-V135 HydrophobicContact CB-CG2 4.32Å
91P97.6Very high97.4Very high97 Ų9746 Ų4663%0.6325%0.245SC*.Hα-helixtrans-56.4-40-179.6-27.935.1000113.9Q94 A95P91-Q94 PolarHBondContact O-N 3.4Å; P91-A95 WeakPolarHBondContact O-CB 3.24Å; P91-A95 PolarHBondContact O-N 2.72Å
92H97.4Very high97.3Very high113 Ų11351.9 Ų51.952%0.52327%0.272SS..Hα-helixtrans-66.1-40.1177.6-63.9-74.7000112.1C90 L96 P136C90-H92 VanDerWaalsContact C-N 3.3Å; C90-H92 PolarHBondContact O-N 2.9Å; H92-L96 WeakPolarHBondContact O-CB 3.47Å; H92-L96 PolarHBondContact O-N 3.37Å; H92-L96 VanDerWaalsContact O-N 3.07Å; H92-P136 HydrophobicContact CB-CG 4.49Å
93S97.9Very high97.2Very high2 Ų253.7 Ų53.71%0.01428%0.282CS..Hα-helixtrans-65.8-44176.5-65.20000111.3L87 C90 K97L87-S93 PolarHBondContact N-OG 3.28Å; L87-S93 WeakPolarHBondContact O-CB 3.39Å; C90-S93 WeakPolarHBondContact O-CB 3.5Å; C90-S93 PolarHBondContact O-N 3.16Å; C90-S93 VanDerWaalsContact O-N 3.08Å; S93-K97 WeakPolarHBondContact O-CB 3.46Å; S93-K97 PolarHBondContact O-N 2.92Å
94Q98.1Very high97.1Very high100 Ų10056.9 Ų56.947%0.46730%0.299SS..Hα-helixtrans-62.9-44.9177.6-68.8-179.80.100112.1E88 C90 P91 K97 K98E88-Q94 WeakPolarHBondContact O-CG 3.49Å; E88-Q94 PolarHBondContact O-NE2 3.33Å; C90-Q94 WeakPolarHBondContact O-CG 3.45Å; C90-Q94 PolarHBondContact O-N 3.01Å; P91-Q94 PolarHBondContact O-N 3.4Å; Q94-K97 PolarHBondContact O-N 2.93Å; Q94-K98 PolarHBondContact O-N 2.91Å; Q94-K98 VanDerWaalsContact O-N 3.13Å
95A97.9Very high97Very high44 Ų4461.7 Ų61.736%0.36432%0.321SS..Hα-helixtrans-62.4-47.9179.600000111.5P91 K98 V99 T164P91-A95 WeakPolarHBondContact O-CB 3.24Å; P91-A95 PolarHBondContact O-N 2.72Å; A95-K98 PolarHBondContact O-N 3.03Å; A95-V99 PolarHBondContact O-N 3.36Å; A95-T164 HydrophobicContact CB-CG2 3.78Å; A95-T164 WeakPolarHBondContact O-CG2 3.37Å
96L98.3Very high96.9Very high2 Ų261.5 Ų61.51%0.0132%0.321CS..Hα-helixtrans-64.3-45.1177.7-176.963.9000111.6W57 H92 K98 V99 F100 P136 I138 Y162 I167W57-L96 HydrophobicContact CH2-CB 4.33Å; W57-L96 HydrophobicContact CH2-CD2 4.04Å; W57-L96 HydrophobicContact CH2-CG 4.09Å; W57-L96 HydrophobicContact CZ3-CD2 4.32Å; W57-L96 HydrophobicContact CZ3-CG 4.16Å; H92-L96 WeakPolarHBondContact O-CB 3.47Å; H92-L96 PolarHBondContact O-N 3.37Å; H92-L96 VanDerWaalsContact O-N 3.07Å; L96-K98 PolarHBondContact O-N 3.01Å; L96-V99 HydrophobicContact CD1-CG2 4.21Å; L96-V99 WeakPolarHBondContact O-CG2 3.18Å; L96-V99 PolarHBondContact O-N 2.93Å; L96-F100 WeakPolarHBondContact O-CB 3.36Å; L96-F100 PolarHBondContact O-N 3.33Å; L96-P136 HydrophobicContact CB-CG 4.32Å; L96-P136 HydrophobicContact CD2-CB 3.95Å; L96-P136 HydrophobicContact CD2-CG 3.75Å; L96-I138 HydrophobicContact CD2-CD1 4.01Å; L96-Y162 WeakPolarHBondContact CD2-O 3.43Å; L96-I167 HydrophobicContact CD1-CD1 3.93Å
97K97.9Very high96.9Very high43 Ų4361.9 Ų61.919%0.18732%0.322CS..Hα-helixtrans-54.4-40.9178.3177170.466.6177.90112.5R55 G56 W57 S93 Q94 F100 S101R55-K97 WeakPolarHBondContact O-CD 3.38Å; R55-K97 PolarHBondContact O-NZ 2.66Å; G56-K97 WeakPolarHBondContact O-CG 3.35Å; W57-K97 HydrophobicContact CD2-CB 4.07Å; W57-K97 HydrophobicContact CD2-CD 4.28Å; W57-K97 HydrophobicContact CD2-CG 3.91Å; W57-K97 HydrophobicContact CE3-CB 4.26Å; W57-K97 HydrophobicContact CE3-CG 4.39Å; W57-K97 HydrophobicContact CG-CD 4.14Å; W57-K97 HydrophobicContact CG-CG 4.08Å; W57-K97 HydrophobicContact CH2-CB 4.04Å; W57-K97 HydrophobicContact CZ2-CB 3.85Å; W57-K97 HydrophobicContact CZ2-CG 4.47Å; W57-K97 HydrophobicContact CZ3-CB 4.25Å; S93-K97 WeakPolarHBondContact O-CB 3.46Å; S93-K97 PolarHBondContact O-N 2.92Å; Q94-K97 PolarHBondContact O-N 2.93Å; K97-F100 PolarHBondContact O-N 3.02Å; K97-S101 WeakPolarHBondContact O-CB 3.43Å; K97-S101 PolarHBondContact O-N 3Å; K97-S101 PolarHBondContact O-OG 3.17Å
98K97.1Very high96.9Very high126 Ų12662.9 Ų62.955%0.54832%0.323SS..Hα-helixtrans-61.4-56.9178.9-176.7179.7177.1-176.90111.3Q94 A95 L96 F100 S101 E102Q94-K98 PolarHBondContact O-N 2.91Å; Q94-K98 VanDerWaalsContact O-N 3.13Å; A95-K98 PolarHBondContact O-N 3.03Å; L96-K98 PolarHBondContact O-N 3.01Å; K98-F100 PolarHBondContact O-N 2.79Å; K98-S101 PolarHBondContact O-N 2.83Å; K98-S101 PolarHBondContact O-OG 3.32Å; K98-S101 VanDerWaalsContact O-OG 3.13Å; K98-E102 VanDerWaalsContact CE-OE1 3.26Å; K98-E102 WeakPolarHBondContact CE-OE1 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.29Å; K98-E102 WeakPolarHBondContact O-CG 3.45Å; K98-E102 PolarHBondContact O-N 2.78Å; K98-E102 VanDerWaalsContact O-N 3.1Å
99V97.8Very high97.1Very high45 Ų4558.9 Ų58.927%0.27331%0.305SS..Hα-helixtrans-65.9-30.1-178.6-630000112.3A95 L96 N103 T164 I167A95-V99 PolarHBondContact O-N 3.36Å; L96-V99 HydrophobicContact CD1-CG2 4.21Å; L96-V99 WeakPolarHBondContact O-CG2 3.18Å; L96-V99 PolarHBondContact O-N 2.93Å; V99-N103 VanDerWaalsContact O-CB 3.27Å; V99-N103 WeakPolarHBondContact O-CB 3.31Å; V99-N103 PolarHBondContact O-N 2.88Å; V99-T164 HydrophobicContact CG1-CG2 4.16Å; V99-T164 HydrophobicContact CG2-CG2 3.96Å; V99-I167 HydrophobicContact CB-CD1 4.45Å; V99-I167 HydrophobicContact CB-CG1 4.27Å; V99-I167 HydrophobicContact CG2-CD1 3.7Å; V99-I167 HydrophobicContact CG2-CG1 3.77Å
100F97.8Very high97.2Very high0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-68.9-45.4177.6-177.3-81.7000112.6W57 M82 I84 L96 K97 K98 N103 I106 Q107 L110 L170W57-F100 HydrophobicContact CB-CE1 4.44Å; W57-F100 HydrophobicContact CE3-CB 4.06Å; W57-F100 AromaticContact CE3-CD1 3.59Å; W57-F100 HydrophobicContact CE3-CD1 3.59Å; W57-F100 HydrophobicContact CE3-CD2 4.26Å; W57-F100 AromaticContact CE3-CE1 3.98Å; W57-F100 HydrophobicContact CE3-CE1 3.98Å; W57-F100 AromaticContact CE3-CG 3.71Å; W57-F100 HydrophobicContact CE3-CG 3.71Å; W57-F100 HydrophobicContact CE3-CZ 4.44Å; W57-F100 HydrophobicContact CZ3-CB 4Å; W57-F100 HydrophobicContact CZ3-CD1 4.26Å; W57-F100 HydrophobicContact CZ3-CD2 4.17Å; W57-F100 AromaticContact CZ3-CG 3.9Å; W57-F100 HydrophobicContact CZ3-CG 3.9Å; W57-F100 WeakPolarHBondContact O-CD1 3.42Å; W57-F100 VanDerWaalsContact O-CE1 3.26Å; W57-F100 WeakPolarHBondContact O-CE1 3.46Å; M82-F100 HydrophobicContact CE-CE2 3.39Å; M82-F100 HydrophobicContact CE-CZ 3.64Å; M82-F100 HydrophobicContact SD-CE2 4.32Å; M82-F100 HydrophobicContact SD-CZ 4.2Å; I84-F100 HydrophobicContact CD1-CE1 4.32Å; I84-F100 HydrophobicContact CD1-CE2 4.43Å; I84-F100 HydrophobicContact CD1-CZ 3.89Å; L96-F100 WeakPolarHBondContact O-CB 3.36Å; L96-F100 PolarHBondContact O-N 3.33Å; K97-F100 PolarHBondContact O-N 3.02Å; K98-F100 PolarHBondContact O-N 2.79Å; F100-N103 PolarHBondContact O-N 2.9Å; F100-I106 HydrophobicContact CD1-CG2 4.08Å; F100-I106 HydrophobicContact CD2-CD1 4.06Å; F100-I106 HydrophobicContact CD2-CG2 3.79Å; F100-I106 HydrophobicContact CE1-CG2 3.84Å; F100-I106 HydrophobicContact CE2-CD1 4.5Å; F100-I106 HydrophobicContact CE2-CG2 3.5Å; F100-I106 HydrophobicContact CG-CG2 4.09Å; F100-I106 HydrophobicContact CZ-CG2 3.58Å; F100-Q107 PolarHBondContact O-NE2 2.94Å; F100-Q107 VanDerWaalsContact O-NE2 3.14Å; F100-L110 HydrophobicContact CE1-CD1 3.62Å; F100-L110 HydrophobicContact CE2-CD1 4.29Å; F100-L110 HydrophobicContact CZ-CD1 3.29Å; F100-L170 HydrophobicContact CD2-CD2 3.84Å; F100-L170 HydrophobicContact CE2-CD2 3.99Å
101S96.3Very high97.2Very high41 Ų4152.3 Ų52.329%0.28727%0.269SS..Hα-helixtrans-75-27.4-179.258.70000113.1G56 K97 K98G56-S101 VanDerWaalsContact O-CB 3.25Å; G56-S101 WeakPolarHBondContact O-CB 3.48Å; G56-S101 PolarHBondContact O-OG 3.1Å; K97-S101 WeakPolarHBondContact O-CB 3.43Å; K97-S101 PolarHBondContact O-N 3Å; K97-S101 PolarHBondContact O-OG 3.17Å; K98-S101 PolarHBondContact O-N 2.83Å; K98-S101 PolarHBondContact O-OG 3.32Å; K98-S101 VanDerWaalsContact O-OG 3.13Å
102E95.8Very high97.2Very high123 Ų12350.1 Ų50.158%0.57525%0.25SS*.Hα-helixtrans-81.9-16.4176-69173.5177.500113K98 N104K98-E102 VanDerWaalsContact CE-OE1 3.26Å; K98-E102 WeakPolarHBondContact CE-OE1 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.29Å; K98-E102 WeakPolarHBondContact O-CG 3.45Å; K98-E102 PolarHBondContact O-N 2.78Å; K98-E102 VanDerWaalsContact O-N 3.1Å; E102-N104 PolarHBondContact O-N 3.09Å
103N97.1Very high97.2Very high40 Ų4047 Ų4721%0.21424%0.238CC..  trans-83.2109.9-178.9-173.3-67.2000112.1V99 F100 E105 I106 Q107V99-N103 VanDerWaalsContact O-CB 3.27Å; V99-N103 WeakPolarHBondContact O-CB 3.31Å; V99-N103 PolarHBondContact O-N 2.88Å; F100-N103 PolarHBondContact O-N 2.9Å; N103-E105 VanDerWaalsContact C-N 3.32Å; N103-E105 PolarHBondContact O-N 3.49Å; N103-E105 WeakPolarHBondContact OD1-CB 3.3Å; N103-E105 PolarHBondContact OD1-N 3.12Å; N103-I106 HydrophobicContact CB-CB 4.17Å; N103-I106 HydrophobicContact CB-CD1 4.04Å; N103-I106 HydrophobicContact CB-CG1 4.23Å; N103-I106 PolarHBondContact O-N 3.02Å; N103-I106 PolarHBondContact OD1-N 3.14Å; N103-Q107 WeakPolarHBondContact O-CG 3.46Å; N103-Q107 PolarHBondContact O-N 3.09Å
104N95.4Very high97.2Very high67 Ų6747.4 Ų47.436%0.35824%0.239SC..Hα-helixtrans-62.4-33.9-178-68.7-28.8000114.5A39 Y41 E102 K108A39-N104 PolarHBondContact O-ND2 2.75Å; Y41-N104 PolarHBondContact N-OD1 2.92Å; E102-N104 PolarHBondContact O-N 3.09Å; N104-K108 WeakPolarHBondContact O-CB 3.46Å; N104-K108 PolarHBondContact O-N 2.89Å
105E96.6Very high97.2Very high101 Ų10142.9 Ų42.947%0.47222%0.218SC..Hα-helixtrans-69.2-43.4-179-176.5175.2178.400110.6N103 T109 I171N103-E105 VanDerWaalsContact C-N 3.32Å; N103-E105 PolarHBondContact O-N 3.49Å; N103-E105 WeakPolarHBondContact OD1-CB 3.3Å; N103-E105 PolarHBondContact OD1-N 3.12Å; E105-T109 VanDerWaalsContact O-CB 3.27Å; E105-T109 WeakPolarHBondContact O-CB 3.22Å; E105-T109 PolarHBondContact O-N 3.49Å; E105-T109 PolarHBondContact O-OG1 3.29Å; E105-I171 HydrophobicContact CB-CD1 4.41Å; E105-I171 HydrophobicContact CG-CD1 4.43Å; E105-I171 HydrophobicContact CG-CG2 4.38Å; E105-I171 VanDerWaalsContact OE1-CG2 3.28Å; E105-I171 WeakPolarHBondContact OE1-CG2 3.28Å
106I97.8Very high97.3Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-59.2-56.4172.3-71.3177.3000109.4F100 N103 K108 T109 L110 I167 L170 I171 M174F100-I106 HydrophobicContact CD1-CG2 4.08Å; F100-I106 HydrophobicContact CD2-CD1 4.06Å; F100-I106 HydrophobicContact CD2-CG2 3.79Å; F100-I106 HydrophobicContact CE1-CG2 3.84Å; F100-I106 HydrophobicContact CE2-CD1 4.5Å; F100-I106 HydrophobicContact CE2-CG2 3.5Å; F100-I106 HydrophobicContact CG-CG2 4.09Å; F100-I106 HydrophobicContact CZ-CG2 3.58Å; N103-I106 HydrophobicContact CB-CB 4.17Å; N103-I106 HydrophobicContact CB-CD1 4.04Å; N103-I106 HydrophobicContact CB-CG1 4.23Å; N103-I106 PolarHBondContact O-N 3.02Å; N103-I106 PolarHBondContact OD1-N 3.14Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 3.27Å; I106-T109 PolarHBondContact O-N 3.31Å; I106-T109 VanDerWaalsContact O-N 3.16Å; I106-L110 HydrophobicContact CG2-CD1 3.6Å; I106-L110 HydrophobicContact CG2-CG 4.28Å; I106-L110 VanDerWaalsContact O-CG 3.24Å; I106-L110 WeakPolarHBondContact O-CG 3.41Å; I106-L110 PolarHBondContact O-N 3.46Å; I106-I167 HydrophobicContact CD1-CD1 4.05Å; I106-I167 HydrophobicContact CD1-CG2 3.95Å; I106-L170 HydrophobicContact CD1-CD2 4.12Å; I106-I171 HydrophobicContact CD1-CG1 4.17Å; I106-I171 HydrophobicContact CG1-CD1 4.17Å; I106-I171 HydrophobicContact CG1-CG1 3.69Å; I106-M174 HydrophobicContact CG1-SD 4.18Å; I106-M174 HydrophobicContact CG2-CE 4.49Å; I106-M174 HydrophobicContact CG2-SD 4.47Å
107Q97.3Very high97.3Very high10 Ų1040.9 Ų40.95%0.04720%0.201CC..Hα-helixtrans-58.3-42.2-176.3-65.9-60.7-6000112.2Y41 W57 L61 F100 N103 L110 D111Y41-Q107 HydrophobicContact CD1-CB 3.8Å; Y41-Q107 HydrophobicContact CG-CB 4.18Å; W57-Q107 PolarHBondContact O-NE2 3.02Å; L61-Q107 WeakPolarHBondContact CD2-O 3.06Å; F100-Q107 PolarHBondContact O-NE2 2.94Å; F100-Q107 VanDerWaalsContact O-NE2 3.14Å; N103-Q107 WeakPolarHBondContact O-CG 3.46Å; N103-Q107 PolarHBondContact O-N 3.09Å; Q107-L110 PolarHBondContact O-N 3.24Å; Q107-D111 PolarHBondContact O-N 3.1Å; Q107-D111 VanDerWaalsContact O-N 3.07Å
108K96.6Very high97.3Very high99 Ų9939 Ų3943%0.4319%0.194SC..Hα-helixtrans-64.5-48.3176.2-179177.3173.6-173.20112.1Y41 N104 I106 L110 D111 E112Y41-K108 HydrophobicContact CD2-CB 3.74Å; Y41-K108 HydrophobicContact CD2-CG 4.28Å; Y41-K108 HydrophobicContact CE2-CB 3.52Å; Y41-K108 HydrophobicContact CE2-CD 4.27Å; Y41-K108 HydrophobicContact CE2-CG 3.67Å; Y41-K108 HydrophobicContact CG-CB 4.44Å; N104-K108 WeakPolarHBondContact O-CB 3.46Å; N104-K108 PolarHBondContact O-N 2.89Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 3.27Å; K108-L110 PolarHBondContact O-N 3.49Å; K108-D111 PolarHBondContact O-N 3.36Å; K108-E112 VanDerWaalsContact CE-OE1 3.25Å; K108-E112 WeakPolarHBondContact CE-OE1 3.37Å; K108-E112 WeakPolarHBondContact CE-OE2 3.26Å; K108-E112 HydrophobicContact CG-CG 4.37Å; K108-E112 WeakPolarHBondContact O-CB 3.3Å; K108-E112 WeakPolarHBondContact O-CG 3.47Å; K108-E112 PolarHBondContact O-N 2.71Å
109T97.3Very high97.3Very high12 Ų1233.2 Ų33.27%0.07417%0.168CC..Hα-helixtrans-62-38.1-179-56.80000110.5E105 I106 D113 F114 M174 K178E105-T109 VanDerWaalsContact O-CB 3.27Å; E105-T109 WeakPolarHBondContact O-CB 3.22Å; E105-T109 PolarHBondContact O-N 3.49Å; E105-T109 PolarHBondContact O-OG1 3.29Å; I106-T109 PolarHBondContact O-N 3.31Å; I106-T109 VanDerWaalsContact O-N 3.16Å; T109-D113 HydrophobicContact CG2-CB 4.46Å; T109-D113 WeakPolarHBondContact O-CA 3.22Å; T109-D113 WeakPolarHBondContact O-CB 3.48Å; T109-D113 PolarHBondContact O-N 3.23Å; T109-F114 HydrophobicContact CG2-CD2 4.14Å; T109-F114 HydrophobicContact CG2-CE2 3.85Å; T109-M174 HydrophobicContact CG2-CE 3.66Å; T109-K178 HydrophobicContact CG2-CD 4.1Å
110L97.6Very high97.2Very high2 Ų234.1 Ų34.11%0.0117%0.17CC..Hα-helixtrans-67.7-44.4177.5-65171000113L61 M82 F100 I106 Q107 K108 E112 F114 V116 M174L61-L110 HydrophobicContact CD1-CB 3.87Å; L61-L110 HydrophobicContact CD1-CD1 3.8Å; L61-L110 HydrophobicContact CD2-CB 3.97Å; M82-L110 HydrophobicContact CB-CD2 4.43Å; M82-L110 HydrophobicContact SD-CD2 3.5Å; M82-L110 WeakPolarHBondContact SD-CD2 3.35Å; F100-L110 HydrophobicContact CE1-CD1 3.62Å; F100-L110 HydrophobicContact CE2-CD1 4.29Å; F100-L110 HydrophobicContact CZ-CD1 3.29Å; I106-L110 HydrophobicContact CG2-CD1 3.6Å; I106-L110 HydrophobicContact CG2-CG 4.28Å; I106-L110 VanDerWaalsContact O-CG 3.24Å; I106-L110 WeakPolarHBondContact O-CG 3.41Å; I106-L110 PolarHBondContact O-N 3.46Å; Q107-L110 PolarHBondContact O-N 3.24Å; K108-L110 PolarHBondContact O-N 3.49Å; L110-E112 VanDerWaalsContact C-N 3.31Å; L110-E112 PolarHBondContact O-N 3.2Å; L110-F114 HydrophobicContact CD2-CB 3.99Å; L110-F114 HydrophobicContact CD2-CD2 4.21Å; L110-F114 HydrophobicContact CD2-CG 4.05Å; L110-F114 PolarHBondContact O-N 3Å; L110-V116 HydrophobicContact CB-CG1 4Å; L110-V116 HydrophobicContact CD1-CG1 4.42Å; L110-V116 HydrophobicContact CD2-CG1 3.73Å; L110-V116 HydrophobicContact CG-CG1 4.24Å; L110-M174 HydrophobicContact CD2-CE 3.62Å; L110-M174 HydrophobicContact CG-CE 3.81Å
111D96.4Very high97Very high31 Ų3140.7 Ų40.717%0.16620%0.196CC..Hα-helixtrans-63.4-39.6178.3-164.843.2000111.6Y41 R48 L61 Q107 K108Y41-D111 HydrophobicContact CE1-CB 4.09Å; Y41-D111 WeakPolarHBondContact OH-CB 3.4Å; Y41-D111 PolarHBondContact OH-OD2 2.79Å; R48-D111 IonicContact CZ-OD1 4Å; R48-D111 IonicContact CZ-OD2 3.97Å; R48-D111 IonicContact NH1-OD1 3.51Å; R48-D111 PolarHBondContact NH1-OD1 2.96Å; R48-D111 IonicContact NH1-OD2 2.7Å; R48-D111 IonicContact NH2-OD1 3.49Å; R48-D111 PolarHBondContact NH2-OD1 3.26Å; R48-D111 IonicContact NH2-OD2 3.56Å; R48-D111 PolarHBondContact NH2-OD2 3.07Å; L61-D111 HydrophobicContact CD2-CB 3.77Å; Q107-D111 PolarHBondContact O-N 3.1Å; Q107-D111 VanDerWaalsContact O-N 3.07Å; K108-D111 PolarHBondContact O-N 3.36Å
112E96.3Very high96.9Very high51 Ų5141.2 Ų41.224%0.23819%0.194CC..Hα-helixtrans-85.2-39.5-172.9-67.1-177.5173.300113.2K44 K79 K108 L110K44-E112 WeakPolarHBondContact CE-OE1 3.45Å; K44-E112 VanDerWaalsContact NZ-CD 3.31Å; K44-E112 IonicContact NZ-OE1 3.67Å; K44-E112 PolarHBondContact NZ-OE1 3.19Å; K44-E112 IonicContact NZ-OE2 3.44Å; K79-E112 VanDerWaalsContact CE-O 3.25Å; K79-E112 WeakPolarHBondContact CE-O 3.47Å; K79-E112 PolarHBondContact NZ-O 3.38Å; K108-E112 VanDerWaalsContact CE-OE1 3.25Å; K108-E112 WeakPolarHBondContact CE-OE1 3.37Å; K108-E112 WeakPolarHBondContact CE-OE2 3.26Å; K108-E112 HydrophobicContact CG-CG 4.37Å; K108-E112 WeakPolarHBondContact O-CB 3.3Å; K108-E112 WeakPolarHBondContact O-CG 3.47Å; K108-E112 PolarHBondContact O-N 2.71Å; L110-E112 VanDerWaalsContact C-N 3.31Å; L110-E112 PolarHBondContact O-N 3.2Å
113D97.9Very high96.7Very high49 Ų4936.9 Ų36.926%0.26218%0.176SC..Hα-helixtrans-120.5-14.9-163.4-61.6-49000114.9K79 P80 T109 K178K79-D113 WeakPolarHBondContact CB-O 3.45Å; K79-D113 WeakPolarHBondContact CG-O 3.43Å; P80-D113 WeakPolarHBondContact CD-O 3.43Å; T109-D113 HydrophobicContact CG2-CB 4.46Å; T109-D113 WeakPolarHBondContact O-CA 3.22Å; T109-D113 WeakPolarHBondContact O-CB 3.48Å; T109-D113 PolarHBondContact O-N 3.23Å; D113-K178 HydrophobicContact CB-CD 3.99Å; D113-K178 HydrophobicContact CB-CG 4.25Å; D113-K178 IonicContact OD1-NZ 3.36Å; D113-K178 VanDerWaalsContact OD2-CE 3.22Å; D113-K178 WeakPolarHBondContact OD2-CE 3.46Å; D113-K178 IonicContact OD2-NZ 2.72Å; D113-K178 PolarHBondContact OD2-NZ 3.15Å
114F98.6Very high96.4Very high9 Ų941.7 Ų41.74%0.03921%0.207CC..  trans-118.1158.1-173.2-75.5-99.4000113.8P80 M82 T109 L110 V116 F140 M174 A177 K178P80-F114 HydrophobicContact CB-CD1 4.01Å; P80-F114 HydrophobicContact CB-CE1 3.75Å; P80-F114 HydrophobicContact CB-CZ 4.5Å; P80-F114 HydrophobicContact CG-CD1 3.68Å; P80-F114 HydrophobicContact CG-CE1 3.46Å; P80-F114 VanDerWaalsContact CG-CE1 3.46Å; P80-F114 HydrophobicContact CG-CE2 4.37Å; P80-F114 HydrophobicContact CG-CG 4.23Å; P80-F114 HydrophobicContact CG-CZ 3.83Å; P80-F114 WeakPolarHBondContact O-CA 3.5Å; P80-F114 WeakPolarHBondContact O-CD1 3.37Å; M82-F114 HydrophobicContact CB-CD1 4.01Å; T109-F114 HydrophobicContact CG2-CD2 4.14Å; T109-F114 HydrophobicContact CG2-CE2 3.85Å; L110-F114 HydrophobicContact CD2-CB 3.99Å; L110-F114 HydrophobicContact CD2-CD2 4.21Å; L110-F114 HydrophobicContact CD2-CG 4.05Å; L110-F114 PolarHBondContact O-N 3Å; F114-V116 HydrophobicContact CB-CG1 4.27Å; F114-F140 AromaticContact CE1-CD1 3.79Å; F114-F140 HydrophobicContact CE1-CD1 3.79Å; F114-F140 AromaticContact CE1-CE1 3.99Å; F114-F140 HydrophobicContact CE1-CE1 3.99Å; F114-F140 HydrophobicContact CZ-CE1 4.44Å; F114-M174 HydrophobicContact CE2-CB 4.28Å; F114-M174 HydrophobicContact CE2-CE 4.34Å; F114-M174 HydrophobicContact CZ-CB 4.13Å; F114-M174 WeakPolarHBondContact CZ-O 3.15Å; F114-A177 HydrophobicContact CE1-CB 4.03Å; F114-A177 HydrophobicContact CZ-CB 4.03Å; F114-K178 HydrophobicContact CE2-CD 4.03Å; F114-K178 HydrophobicContact CE2-CG 3.63Å; F114-K178 HydrophobicContact CZ-CG 3.85Å
115I98.6Very high96.1Very high5 Ų540.4 Ų40.43%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-91.9140.1151.1-53.9-52.4000107.6A70 W73 K79 P80 L81 M82A70-I115 HydrophobicContact CB-CG2 4.27Å; W73-I115 HydrophobicContact CB-CD1 3.89Å; W73-I115 HydrophobicContact CB-CG1 4.02Å; W73-I115 HydrophobicContact CB-CG2 4.05Å; W73-I115 HydrophobicContact CE3-CG2 4.07Å; K79-I115 HydrophobicContact CB-CD1 4.35Å; K79-I115 HydrophobicContact CB-CG1 4.16Å; K79-I115 HydrophobicContact CD-CD1 4.34Å; P80-I115 PolarHBondContact O-N 3.1Å; L81-I115 CarbonylContact C-O 3.59Å; L81-I115 WeakPolarHBondContact CA-O 3.45Å; L81-I115 HydrophobicContact CB-CB 4.42Å; L81-I115 HydrophobicContact CD1-CB 4.06Å; L81-I115 HydrophobicContact CD1-CG2 3.9Å; L81-I115 WeakPolarHBondContact CD1-O 3.17Å; M82-I115 PolarHBondContact N-O 3.48Å
116V98.4Very high95.9Very high4 Ų443.9 Ų43.92%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-123.5136-177.4-640000111.9L61 I62 W63 A64 L110 F114L61-V116 HydrophobicContact CB-CG2 4.22Å; L61-V116 HydrophobicContact CD1-CG2 4.46Å; I62-V116 WeakPolarHBondContact O-CG2 3.5Å; W63-V116 HydrophobicContact CD2-CB 4.36Å; W63-V116 HydrophobicContact CD2-CG2 3.72Å; W63-V116 HydrophobicContact CE3-CB 3.8Å; W63-V116 HydrophobicContact CE3-CG2 3.66Å; W63-V116 HydrophobicContact CG-CG2 4.2Å; W63-V116 HydrophobicContact CH2-CB 4.2Å; W63-V116 HydrophobicContact CH2-CG2 4.38Å; W63-V116 HydrophobicContact CZ2-CG2 4.43Å; W63-V116 HydrophobicContact CZ3-CB 3.72Å; W63-V116 HydrophobicContact CZ3-CG2 4.01Å; A64-V116 PolarHBondContact N-O 2.71Å; L110-V116 HydrophobicContact CB-CG1 4Å; L110-V116 HydrophobicContact CD1-CG1 4.42Å; L110-V116 HydrophobicContact CD2-CG1 3.73Å; L110-V116 HydrophobicContact CG-CG1 4.24Å; F114-V116 HydrophobicContact CB-CG1 4.27Å
117L98.2Very high95.7Very high0 Ų050.3 Ų50.30%024%0.244CC..EExtended strand (participates in β ladder)trans-137.6136.5175.9176.565.3000108.8A64 Y67 A70 L81 M82 V83 I84 L119A64-L117 HydrophobicContact CB-CD1 4.37Å; A64-L117 VanDerWaalsContact O-CD1 3.3Å; A64-L117 WeakPolarHBondContact O-CD1 3.41Å; Y67-L117 HydrophobicContact CD2-CD2 3.96Å; A70-L117 HydrophobicContact CB-CB 4.14Å; A70-L117 HydrophobicContact CB-CD2 4.04Å; L81-L117 HydrophobicContact CD1-CB 4.05Å; M82-L117 PolarHBondContact O-N 3.15Å; V83-L117 WeakPolarHBondContact CA-O 3.47Å; V83-L117 HydrophobicContact CG1-CD2 4.25Å; I84-L117 PolarHBondContact N-O 3.41Å; L117-L119 HydrophobicContact CD1-CD2 3.99Å; L117-L119 HydrophobicContact CD1-CG 4.34Å; L117-L119 HydrophobicContact CD2-CD1 4Å; L117-L119 HydrophobicContact CD2-CD2 4.31Å; L117-L119 HydrophobicContact CD2-CG 4.09Å; L117-L119 HydrophobicContact CG-CD1 4.45Å; L117-L119 HydrophobicContact CG-CD2 4.2Å; L117-L119 HydrophobicContact CG-CG 4.01Å
118N98Very high95.5Very high4 Ų449.9 Ų49.92%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-126.11371677492.7000110.4L53 R55 W63 I84 H86L53-N118 PolarHBondContact O-ND2 3.47Å; R55-N118 WeakPolarHBondContact CD-OD1 3.44Å; R55-N118 PolarHBondContact NH1-O 3.24Å; R55-N118 PolarHBondContact NH1-OD1 3.16Å; W63-N118 HydrophobicContact CE3-CB 4.2Å; W63-N118 HydrophobicContact CH2-CB 4.41Å; W63-N118 HydrophobicContact CZ3-CB 3.73Å; W63-N118 WeakPolarHBondContact CZ3-ND2 3.43Å; I84-N118 HydrophobicContact CB-CB 4.06Å; I84-N118 CarbonylContact O-C 3.51Å; I84-N118 WeakPolarHBondContact O-CA 3.26Å; H86-N118 PolarHBondContact NE2-OD1 3.41Å
119L96.9Very high95.4Very high4 Ų446.3 Ų46.32%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-128.2142.5-175.5-62.7174.7000109.8V83 I84 F85 H86 L117 Y121 T123V83-L119 HydrophobicContact CG1-CD1 4.31Å; I84-L119 PolarHBondContact O-N 3.45Å; F85-L119 WeakPolarHBondContact CA-O 3.47Å; F85-L119 HydrophobicContact CD1-CB 3.95Å; F85-L119 HydrophobicContact CD1-CD1 4.45Å; F85-L119 HydrophobicContact CE1-CB 3.98Å; F85-L119 HydrophobicContact CE1-CD1 3.67Å; F85-L119 HydrophobicContact CE1-CG 4.46Å; F85-L119 HydrophobicContact CZ-CD1 3.95Å; H86-L119 PolarHBondContact N-O 3.26Å; L117-L119 HydrophobicContact CD1-CD2 3.99Å; L117-L119 HydrophobicContact CD1-CG 4.34Å; L117-L119 HydrophobicContact CD2-CD1 4Å; L117-L119 HydrophobicContact CD2-CD2 4.31Å; L117-L119 HydrophobicContact CD2-CG 4.09Å; L117-L119 HydrophobicContact CG-CD1 4.45Å; L117-L119 HydrophobicContact CG-CD2 4.2Å; L117-L119 HydrophobicContact CG-CG 4.01Å; L119-Y121 HydrophobicContact CD2-CE1 4.36Å; L119-Y121 HydrophobicContact CD2-CE2 4.34Å; L119-T123 HydrophobicContact CD1-CG2 3.54Å
120M96.1Very high95.2Very high64 Ų6449.1 Ų49.132%0.31525%0.247SC..SBendtrans-107.13.9172.6-64.9173.160.100113.1R55 H86 E88R55-M120 VanDerWaalsContact CD-SD 3.59Å; H86-M120 VanDerWaalsContact O-CA 3.27Å; H86-M120 WeakPolarHBondContact O-CA 3.31Å; E88-M120 HydrophobicContact CB-CE 4Å; E88-M120 HydrophobicContact CG-CE 3.62Å; E88-M120 HydrophobicContact CG-SD 4.03Å
121Y94.3Very high95Very high138 Ų13851 Ų5154%0.54126%0.257SS..SBendtrans-135.7154.6178.356.5-92.4000108.4F85 L119F85-Y121 WeakPolarHBondContact CE1-O 3.47Å; L119-Y121 HydrophobicContact CD2-CE1 4.36Å; L119-Y121 HydrophobicContact CD2-CE2 4.34Å
122E93.4Very high94.9Very high53 Ų5350.9 Ų50.925%0.24826%0.264CS..  trans-77149.6179-66.8-69.1165.600110.7Q133 R137E122-Q133 HydrophobicContact CG-CB 4.25Å; E122-Q133 HydrophobicContact CG-CG 4Å; E122-R137 VanDerWaalsContact CD-NH2 3.28Å; E122-R137 IonicContact OE1-CZ 3.69Å; E122-R137 IonicContact OE1-NH1 2.8Å; E122-R137 PolarHBondContact OE1-NH1 3.38Å; E122-R137 IonicContact OE1-NH2 3.2Å; E122-R137 PolarHBondContact OE1-NH2 3.32Å; E122-R137 IonicContact OE2-CZ 3.44Å; E122-R137 IonicContact OE2-NH2 3.53Å; E122-R137 PolarHBondContact OE2-NH2 3.18Å
123T91.8Very high94.9Very high31 Ų3154.9 Ų54.919%0.1928%0.283CS..  trans-87.8172.3174.771.40000110.6F85 L119 D125 L128F85-T123 HydrophobicContact CE1-CG2 4.26Å; F85-T123 HydrophobicContact CZ-CG2 4.17Å; L119-T123 HydrophobicContact CD1-CG2 3.54Å; T123-D125 PolarHBondContact O-N 3.5Å; T123-D125 PolarHBondContact OG1-N 3.36Å; T123-D125 PolarHBondContact OG1-O 2.92Å; T123-L128 HydrophobicContact CG2-CD1 3.88Å; T123-L128 WeakPolarHBondContact OG1-CD1 3.25Å
124T90.3Very high94.8Very high141 Ų14154.2 Ų54.287%0.86528%0.277SS*.SBendtrans-74.3-14170.552.40000112.9K126T124-K126 PolarHBondContact O-N 3.27Å
125D90.6Very high94.7Very high40 Ų4055.6 Ų55.621%0.21429%0.286CS..  trans-81.6107.5-178.8-174.9-1.3000111Y67 T123 H127 L128Y67-D125 HydrophobicContact CE1-CB 4.23Å; Y67-D125 PolarHBondContact OH-OD2 2.96Å; T123-D125 PolarHBondContact O-N 3.5Å; T123-D125 PolarHBondContact OG1-N 3.36Å; T123-D125 PolarHBondContact OG1-O 2.92Å; D125-H127 PolarHBondContact O-N 3.44Å; D125-H127 VanDerWaalsContact OD1-CB 3.29Å; D125-H127 WeakPolarHBondContact OD1-CB 3.28Å; D125-H127 IonicContact OD1-CD2 3.47Å; D125-H127 PolarHBondContact OD1-CD2 3.44Å; D125-H127 IonicContact OD1-CG 3.92Å; D125-H127 PolarHBondContact OD1-N 3.4Å; D125-L128 HydrophobicContact CB-CD1 4.48Å; D125-L128 HydrophobicContact CB-CG 4.34Å; D125-L128 PolarHBondContact O-N 2.93Å; D125-L128 VanDerWaalsContact O-N 3.17Å
126K91.5Very high94.7Very high175 Ų17555.7 Ų55.776%0.76129%0.287SS*.G310 helixtrans-65-20.6179.6-62.8-176.8-178.5179.20112.8T124 L128 S129T124-K126 PolarHBondContact O-N 3.27Å; K126-L128 PolarHBondContact O-N 2.97Å; K126-S129 PolarHBondContact O-N 2.76Å
127H93.3Very high94.7Very high135 Ų13555.5 Ų55.563%0.62529%0.286SS*.G310 helixtrans-69.4-13.9177.3-60.5-67.8000112.8D125 V147D125-H127 PolarHBondContact O-N 3.44Å; D125-H127 VanDerWaalsContact OD1-CB 3.29Å; D125-H127 WeakPolarHBondContact OD1-CB 3.28Å; D125-H127 IonicContact OD1-CD2 3.47Å; D125-H127 PolarHBondContact OD1-CD2 3.44Å; D125-H127 IonicContact OD1-CG 3.92Å; D125-H127 PolarHBondContact OD1-N 3.4Å; H127-V147 HydrophobicContact CB-CB 4.49Å; H127-V147 HydrophobicContact CB-CG2 3.83Å
128L94.6Very high94.7Very high0 Ų055.6 Ų55.60%029%0.286CS..G310 helixtrans-880.1173.9-60.7-174.5000114.3Y67 F85 T123 D125 K126 R137 L139 V141 V147Y67-L128 HydrophobicContact CD1-CD1 4.36Å; Y67-L128 HydrophobicContact CD2-CD1 4.27Å; Y67-L128 HydrophobicContact CE1-CD1 3.96Å; Y67-L128 HydrophobicContact CE2-CD1 3.88Å; Y67-L128 HydrophobicContact CE2-CD2 4.46Å; F85-L128 HydrophobicContact CE2-CB 4.02Å; F85-L128 HydrophobicContact CE2-CD1 4.27Å; F85-L128 HydrophobicContact CZ-CB 3.97Å; F85-L128 HydrophobicContact CZ-CD1 3.84Å; T123-L128 HydrophobicContact CG2-CD1 3.88Å; T123-L128 WeakPolarHBondContact OG1-CD1 3.25Å; D125-L128 HydrophobicContact CB-CD1 4.48Å; D125-L128 HydrophobicContact CB-CG 4.34Å; D125-L128 PolarHBondContact O-N 2.93Å; D125-L128 VanDerWaalsContact O-N 3.17Å; K126-L128 PolarHBondContact O-N 2.97Å; L128-R137 PolarHBondContact O-NE 3.48Å; L128-R137 VanDerWaalsContact O-NE 3.17Å; L128-R137 PolarHBondContact O-NH2 2.92Å; L128-L139 WeakPolarHBondContact O-CD1 3.49Å; L128-V141 HydrophobicContact CD2-CG2 4.3Å; L128-V147 HydrophobicContact CD2-CG2 3.9Å
129S93.9Very high94.7Very high24 Ų2455.4 Ų55.417%0.16829%0.285CS..  trans-140.548.517751.30000113K126 D131 G132K126-S129 PolarHBondContact O-N 2.76Å; S129-D131 PolarHBondContact O-N 2.93Å; S129-D131 VanDerWaalsContact O-N 3.17Å; S129-G132 WeakPolarHBondContact CB-O 3.47Å; S129-G132 PolarHBondContact O-N 3.06Å
130P92.8Very high94.7Very high71 Ų7155.4 Ų55.446%0.46129%0.285SS..THydrogen-bonded Turntrans-66.3-21.4-171.530.7-37.4000113.7Y160P130-Y160 HydrophobicContact CG-CD2 4.34Å; P130-Y160 HydrophobicContact CG-CE2 3.42Å; P130-Y160 VanDerWaalsContact CG-CE2 3.42Å
131D93.5Very high94.8Very high41 Ų4152.4 Ų52.422%0.21927%0.27CS..THydrogen-bonded Turntrans-120.916.9177.770.3-26.9000112.9S129 Y134 R158 M159 Y160S129-D131 PolarHBondContact O-N 2.93Å; S129-D131 VanDerWaalsContact O-N 3.17Å; D131-Y134 VanDerWaalsContact CG-OH 3.29Å; D131-Y134 WeakPolarHBondContact OD1-CE1 3.42Å; D131-Y134 PolarHBondContact OD1-OH 3.47Å; D131-Y134 WeakPolarHBondContact OD2-CE1 3.27Å; D131-Y134 PolarHBondContact OD2-OH 3.39Å; D131-R158 WeakPolarHBondContact OD2-CA 3.34Å; D131-M159 HydrophobicContact CB-CE 3.83Å; D131-M159 PolarHBondContact OD2-N 3.44Å; D131-Y160 VanDerWaalsContact OD1-CD2 3.31Å; D131-Y160 WeakPolarHBondContact OD1-CD2 3.43Å
132G94.2Very high95Very high30 Ų3046.1 Ų46.131%0.30925%0.246SC..  trans115.1179.4175.700000115S129S129-G132 WeakPolarHBondContact CB-O 3.47Å; S129-G132 PolarHBondContact O-N 3.06Å
133Q95.4Very high95.2Very high134 Ų13444.1 Ų44.163%0.62624%0.238SC*.SBendtrans-109.850.8-171.6-64.9-179.5-14.200112.1E122E122-Q133 HydrophobicContact CG-CB 4.25Å; E122-Q133 HydrophobicContact CG-CG 4Å
134Y96.2Very high95.4Very high35 Ų3545.8 Ų45.814%0.13725%0.251CS..  trans-89.4160.9174.957.7-95.8000111.5D131 R137 R158 M159 Y160 A161D131-Y134 VanDerWaalsContact CG-OH 3.29Å; D131-Y134 WeakPolarHBondContact OD1-CE1 3.42Å; D131-Y134 PolarHBondContact OD1-OH 3.47Å; D131-Y134 WeakPolarHBondContact OD2-CE1 3.27Å; D131-Y134 PolarHBondContact OD2-OH 3.39Å; Y134-R137 HydrophobicContact CD2-CB 4.38Å; Y134-R137 HydrophobicContact CD2-CG 4.46Å; Y134-R137 HydrophobicContact CE2-CB 4.11Å; Y134-R137 HydrophobicContact CE2-CG 3.79Å; Y134-R137 WeakPolarHBondContact O-CB 3.42Å; Y134-R137 PolarHBondContact O-NH1 2.98Å; Y134-R158 HydrophobicContact CD1-CB 4.45Å; Y134-R158 HydrophobicContact CD1-CG 4.05Å; Y134-R158 HydrophobicContact CD2-CB 4.4Å; Y134-R158 HydrophobicContact CD2-CG 4.42Å; Y134-R158 HydrophobicContact CE1-CB 3.94Å; Y134-R158 HydrophobicContact CE1-CG 3.97Å; Y134-R158 HydrophobicContact CE2-CB 3.89Å; Y134-R158 HydrophobicContact CE2-CG 4.36Å; Y134-R158 HydrophobicContact CG-CG 4.28Å; Y134-R158 WeakPolarHBondContact OH-CA 3.33Å; Y134-M159 PolarHBondContact OH-N 3.27Å; Y134-Y160 PolarHBondContact OH-N 3.44Å; Y134-A161 HydrophobicContact CD2-CB 4.32Å; Y134-A161 HydrophobicContact CE2-CB 3.74Å
135V97.4Very high95.6Very high39 Ų3943.7 Ų43.724%0.23623%0.232CC..SBendtrans-131.2150.2175.1-65.70000111.5F85 L87 C90F85-V135 HydrophobicContact CB-CG1 4.28Å; L87-V135 HydrophobicContact CB-CG2 4.3Å; L87-V135 HydrophobicContact CD1-CG2 3.82Å; L87-V135 HydrophobicContact CG-CG1 4.46Å; L87-V135 HydrophobicContact CG-CG2 3.92Å; C90-V135 HydrophobicContact CB-CG2 4.32Å
136P97.6Very high95.8Very high7 Ų745 Ų455%0.04524%0.242CC..SBendcis-73.2148.3-6.631.7-34.5000112F85 H92 L96F85-P136 VanDerWaalsContact O-CA 3.3Å; F85-P136 WeakPolarHBondContact O-CA 3.17Å; H92-P136 HydrophobicContact CB-CG 4.49Å; L96-P136 HydrophobicContact CB-CG 4.32Å; L96-P136 HydrophobicContact CD2-CB 3.95Å; L96-P136 HydrophobicContact CD2-CG 3.75Å
137R97.9Very high96Very high0 Ų037.8 Ų37.80%021%0.212CC..EExtended strand (participates in β ladder)trans-136.3128.1179.6-163.5170.167.7-1089.2110.1I84 F85 E122 L128 Y134 L139 Y160I84-R137 WeakPolarHBondContact CA-O 3.42Å; F85-R137 HydrophobicContact CB-CB 4.18Å; F85-R137 PolarHBondContact N-O 3.43Å; F85-R137 PolarHBondContact O-N 3.45Å; E122-R137 VanDerWaalsContact CD-NH2 3.28Å; E122-R137 IonicContact OE1-CZ 3.69Å; E122-R137 IonicContact OE1-NH1 2.8Å; E122-R137 PolarHBondContact OE1-NH1 3.38Å; E122-R137 IonicContact OE1-NH2 3.2Å; E122-R137 PolarHBondContact OE1-NH2 3.32Å; E122-R137 IonicContact OE2-CZ 3.44Å; E122-R137 IonicContact OE2-NH2 3.53Å; E122-R137 PolarHBondContact OE2-NH2 3.18Å; L128-R137 PolarHBondContact O-NE 3.48Å; L128-R137 VanDerWaalsContact O-NE 3.17Å; L128-R137 PolarHBondContact O-NH2 2.92Å; Y134-R137 HydrophobicContact CD2-CB 4.38Å; Y134-R137 HydrophobicContact CD2-CG 4.46Å; Y134-R137 HydrophobicContact CE2-CB 4.11Å; Y134-R137 HydrophobicContact CE2-CG 3.79Å; Y134-R137 WeakPolarHBondContact O-CB 3.42Å; Y134-R137 PolarHBondContact O-NH1 2.98Å; R137-L139 HydrophobicContact CG-CD1 4.02Å; R137-Y160 WeakPolarHBondContact CA-O 3.41Å; R137-Y160 HydrophobicContact CG-CG 4.5Å
138I98.4Very high96.2Very high1 Ų132.1 Ų32.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-120.6119.1-177.9-65.1171.6000109M82 V83 I84 L96 F140 Y160 Y162 L170M82-I138 HydrophobicContact CE-CB 4.32Å; M82-I138 HydrophobicContact CE-CD1 3.74Å; M82-I138 HydrophobicContact CE-CG1 4.03Å; M82-I138 HydrophobicContact CE-CG2 3.37Å; M82-I138 HydrophobicContact CG-CG2 4.04Å; M82-I138 HydrophobicContact SD-CG2 4.38Å; V83-I138 WeakPolarHBondContact O-CA 3.16Å; I84-I138 HydrophobicContact CG1-CG1 4.31Å; I84-I138 HydrophobicContact CG2-CG1 4.23Å; L96-I138 HydrophobicContact CD2-CD1 4.01Å; I138-F140 HydrophobicContact CG2-CE2 4.34Å; I138-F140 HydrophobicContact CG2-CZ 4.08Å; I138-Y160 PolarHBondContact N-O 3.22Å; I138-Y162 HydrophobicContact CB-CD2 3.94Å; I138-Y162 HydrophobicContact CB-CE2 3.81Å; I138-Y162 HydrophobicContact CD1-CD2 4.03Å; I138-Y162 HydrophobicContact CG1-CD2 4.32Å; I138-Y162 HydrophobicContact CG2-CE2 4.33Å; I138-L170 HydrophobicContact CD1-CD1 4.11Å; I138-L170 HydrophobicContact CD1-CD2 3.99Å; I138-L170 HydrophobicContact CG2-CD1 4.15Å
139L98Very high96.2Very high1 Ų134.7 Ų34.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-117.4154.6175.2-60.1105.5000111V83 F85 L128 R137 V147 Y160V83-L139 PolarHBondContact N-O 3.46Å; V83-L139 PolarHBondContact O-N 2.9Å; F85-L139 HydrophobicContact CD2-CD1 3.84Å; F85-L139 HydrophobicContact CE2-CD1 3.75Å; L128-L139 WeakPolarHBondContact O-CD1 3.49Å; R137-L139 HydrophobicContact CG-CD1 4.02Å; L139-V147 HydrophobicContact CD2-CG1 4.01Å; L139-Y160 HydrophobicContact CD2-CD1 4.01Å; L139-Y160 HydrophobicContact CD2-CE1 4.08Å; L139-Y160 HydrophobicContact CD2-CG 4.21Å; L139-Y160 HydrophobicContact CG-CD1 4.03Å; L139-Y160 HydrophobicContact CG-CG 4.19Å
140F98.5Very high96.3Very high3 Ų338.3 Ų38.31%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-114.2137.8172.5-58-76.5000109.8L81 M82 F114 I138 R148 I151 L170 N173 M174 A177L81-F140 CarbonylContact O-C 3.53Å; L81-F140 VanDerWaalsContact O-CA 3.32Å; L81-F140 WeakPolarHBondContact O-CA 3.43Å; M82-F140 HydrophobicContact CB-CD1 4.18Å; M82-F140 HydrophobicContact CB-CE1 4.15Å; M82-F140 HydrophobicContact CG-CD1 4.23Å; M82-F140 HydrophobicContact CG-CE1 3.85Å; M82-F140 HydrophobicContact SD-CE1 4.09Å; F114-F140 AromaticContact CE1-CD1 3.79Å; F114-F140 HydrophobicContact CE1-CD1 3.79Å; F114-F140 AromaticContact CE1-CE1 3.99Å; F114-F140 HydrophobicContact CE1-CE1 3.99Å; F114-F140 HydrophobicContact CZ-CE1 4.44Å; I138-F140 HydrophobicContact CG2-CE2 4.34Å; I138-F140 HydrophobicContact CG2-CZ 4.08Å; F140-R148 HydrophobicContact CB-CB 4.18Å; F140-R148 WeakPolarHBondContact O-CB 3.44Å; F140-R148 PolarHBondContact O-N 3.07Å; F140-I151 HydrophobicContact CB-CD1 4.43Å; F140-I151 HydrophobicContact CD2-CB 4.23Å; F140-I151 HydrophobicContact CD2-CD1 4.25Å; F140-I151 HydrophobicContact CD2-CG2 3.75Å; F140-I151 HydrophobicContact CE2-CG2 3.89Å; F140-L170 HydrophobicContact CZ-CD1 4.13Å; F140-N173 HydrophobicContact CE2-CB 4.08Å; F140-M174 HydrophobicContact CE1-CG 3.87Å; F140-M174 HydrophobicContact CZ-CG 3.79Å; F140-A177 HydrophobicContact CB-CB 3.83Å; F140-A177 HydrophobicContact CD1-CB 3.68Å; F140-A177 HydrophobicContact CD2-CB 4.19Å; F140-A177 HydrophobicContact CE1-CB 4.27Å; F140-A177 HydrophobicContact CG-CB 3.62Å
141V98.2Very high96.5Very high1 Ų135.2 Ų35.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-122.6128.6176.1-171.60000108.3L71 P80 L81 V83 L128 T146 V147L71-V141 HydrophobicContact CD2-CG1 3.97Å; P80-V141 WeakPolarHBondContact CA-O 3.4Å; L81-V141 HydrophobicContact CB-CB 4.15Å; L81-V141 HydrophobicContact CD2-CB 4.35Å; L81-V141 HydrophobicContact CD2-CG2 4.43Å; L81-V141 HydrophobicContact CG-CB 4.46Å; L81-V141 PolarHBondContact N-O 3.18Å; L81-V141 PolarHBondContact O-N 3.1Å; V83-V141 HydrophobicContact CG2-CG2 4.29Å; L128-V141 HydrophobicContact CD2-CG2 4.3Å; V141-T146 WeakPolarHBondContact CA-O 3.43Å; V141-V147 HydrophobicContact CG2-CG2 4.23Å
142D98.1Very high96.6Very high6 Ų636 Ų363%0.03221%0.208CC..  trans-74.7151.2177.1-175.6-91.7000110.7S144 M145 T146 R148 L180 L181D142-S144 PolarHBondContact O-N 2.57Å; D142-S144 WeakPolarHBondContact OD1-CB 3.34Å; D142-S144 PolarHBondContact OD1-N 3.03Å; D142-S144 PolarHBondContact OD1-OG 3.26Å; D142-M145 WeakPolarHBondContact O-CA 3.39Å; D142-M145 PolarHBondContact O-N 2.95Å; D142-T146 PolarHBondContact N-O 2.91Å; D142-R148 HydrophobicContact CB-CG 4.33Å; D142-L180 VanDerWaalsContact OD2-CA 3.32Å; D142-L180 WeakPolarHBondContact OD2-CA 3.25Å; D142-L181 HydrophobicContact CB-CD1 4.01Å; D142-L181 HydrophobicContact CB-CG 4.18Å; D142-L181 PolarHBondContact OD2-N 3.47Å
143P97.4Very high96.7Very high12 Ų1235.3 Ų35.38%0.07820%0.201CC..THydrogen-bonded Turntrans-54.9-19.5175-27.436.9000115M145 L180P143-M145 PolarHBondContact O-N 3.44Å; P143-L180 HydrophobicContact CG-CD1 4.17Å; P143-L180 HydrophobicContact CG-CD2 3.86Å
144S95.5Very high96.7Very high66 Ų6636.9 Ų36.946%0.46220%0.201SC..THydrogen-bonded Turntrans-68.41.2168.262.40000114.6D142 T146D142-S144 PolarHBondContact O-N 2.57Å; D142-S144 WeakPolarHBondContact OD1-CB 3.34Å; D142-S144 PolarHBondContact OD1-N 3.03Å; D142-S144 PolarHBondContact OD1-OG 3.26Å; S144-T146 PolarHBondContact O-N 3.09Å; S144-T146 WeakPolarHBondContact OG-CB 3.33Å; S144-T146 PolarHBondContact OG-OG1 3.08Å; S144-T146 VanDerWaalsContact OG-OG1 3.06Å
145M93.8Very high96.6Very high97 Ų9738 Ų3848%0.47821%0.206SC..SBendtrans67.919.5-172.6-52.9176.3172.400113.8L71 D142 P143L71-M145 HydrophobicContact CD2-CG 4.48Å; D142-M145 WeakPolarHBondContact O-CA 3.39Å; D142-M145 PolarHBondContact O-N 2.95Å; P143-M145 PolarHBondContact O-N 3.44Å
146T95.3Very high96.4Very high66 Ų6641.6 Ų41.641%0.40523%0.232SC..  trans-94.8124.8178.7-54.40000110.5V141 D142 S144 R148 L181V141-T146 WeakPolarHBondContact CA-O 3.43Å; D142-T146 PolarHBondContact N-O 2.91Å; S144-T146 PolarHBondContact O-N 3.09Å; S144-T146 WeakPolarHBondContact OG-CB 3.33Å; S144-T146 PolarHBondContact OG-OG1 3.08Å; S144-T146 VanDerWaalsContact OG-OG1 3.06Å; T146-R148 PolarHBondContact O-N 3.45Å; T146-L181 HydrophobicContact CG2-CD1 3.93Å
147V96.9Very high96.2Very high24 Ų2446.6 Ų46.615%0.14526%0.259CS..BIsolated β-bridgetrans-67.5127.3170.6-178.30000109.4H127 L128 L139 V141 A149H127-V147 HydrophobicContact CB-CB 4.49Å; H127-V147 HydrophobicContact CB-CG2 3.83Å; L128-V147 HydrophobicContact CD2-CG2 3.9Å; L139-V147 HydrophobicContact CD2-CG1 4.01Å; V141-V147 HydrophobicContact CG2-CG2 4.23Å; V147-A149 VanDerWaalsContact C-N 3.27Å; V147-A149 PolarHBondContact O-N 3.43Å
148R97Very high96.1Very high17 Ų1752.4 Ų52.46%0.06428%0.281CS..  trans-80.569.6-179.8-68.1-66-59.3-87.2-1.7111.6F140 D142 T146 D150 I151 K179F140-R148 HydrophobicContact CB-CB 4.18Å; F140-R148 WeakPolarHBondContact O-CB 3.44Å; F140-R148 PolarHBondContact O-N 3.07Å; D142-R148 HydrophobicContact CB-CG 4.33Å; T146-R148 PolarHBondContact O-N 3.45Å; R148-D150 WeakPolarHBondContact CA-OD1 3.26Å; R148-D150 WeakPolarHBondContact CB-OD1 3.45Å; R148-D150 IonicContact CZ-OD1 3.31Å; R148-D150 IonicContact CZ-OD2 3.8Å; R148-D150 IonicContact NE-OD1 2.79Å; R148-D150 PolarHBondContact NE-OD1 2.96Å; R148-D150 IonicContact NE-OD2 3.3Å; R148-D150 PolarHBondContact NE-OD2 3.42Å; R148-D150 IonicContact NH2-OD1 2.83Å; R148-D150 IonicContact NH2-OD2 2.75Å; R148-D150 PolarHBondContact NH2-OD2 3.13Å; R148-D150 PolarHBondContact O-N 3.02Å; R148-D150 VanDerWaalsContact O-N 3.13Å; R148-I151 HydrophobicContact CB-CD1 3.8Å; R148-I151 HydrophobicContact CB-CG1 4.05Å; R148-I151 HydrophobicContact CG-CD1 4.25Å; R148-I151 PolarHBondContact O-N 2.86Å; R148-K179 PolarHBondContact NH1-O 3.27Å
149A94.6Very high96.1Very high54 Ų5455 Ų5545%0.44629%0.294SS..THydrogen-bonded Turntrans-66.3-6.717800000114.1V147 I151 N152 Y160V147-A149 VanDerWaalsContact C-N 3.27Å; V147-A149 PolarHBondContact O-N 3.43Å; A149-I151 VanDerWaalsContact C-N 3.34Å; A149-N152 PolarHBondContact O-OD1 3.13Å; A149-Y160 WeakPolarHBondContact CA-OH 3.26Å
150D95Very high96Very high100 Ų10055.2 Ų55.254%0.53530%0.295SS..THydrogen-bonded Turntrans-78.5-16.617162.7-57.3000113.1R148R148-D150 WeakPolarHBondContact CA-OD1 3.26Å; R148-D150 WeakPolarHBondContact CB-OD1 3.45Å; R148-D150 IonicContact CZ-OD1 3.31Å; R148-D150 IonicContact CZ-OD2 3.8Å; R148-D150 IonicContact NE-OD1 2.79Å; R148-D150 PolarHBondContact NE-OD1 2.96Å; R148-D150 IonicContact NE-OD2 3.3Å; R148-D150 PolarHBondContact NE-OD2 3.42Å; R148-D150 IonicContact NH2-OD1 2.83Å; R148-D150 IonicContact NH2-OD2 2.75Å; R148-D150 PolarHBondContact NH2-OD2 3.13Å; R148-D150 PolarHBondContact O-N 3.02Å; R148-D150 VanDerWaalsContact O-N 3.13Å
151I97.4Very high96Very high5 Ų555.7 Ų55.73%0.02630%0.299CS..  trans-98.894.7-176.9-55.3178.9000110F140 R148 A149 N173 T176 A177F140-I151 HydrophobicContact CB-CD1 4.43Å; F140-I151 HydrophobicContact CD2-CB 4.23Å; F140-I151 HydrophobicContact CD2-CD1 4.25Å; F140-I151 HydrophobicContact CD2-CG2 3.75Å; F140-I151 HydrophobicContact CE2-CG2 3.89Å; R148-I151 HydrophobicContact CB-CD1 3.8Å; R148-I151 HydrophobicContact CB-CG1 4.05Å; R148-I151 HydrophobicContact CG-CD1 4.25Å; R148-I151 PolarHBondContact O-N 2.86Å; A149-I151 VanDerWaalsContact C-N 3.34Å; I151-N173 HydrophobicContact CG2-CB 3.48Å; I151-N173 VanDerWaalsContact CG2-CB 3.48Å; I151-T176 HydrophobicContact CD1-CG2 4.06Å; I151-T176 HydrophobicContact CG1-CG2 4.08Å; I151-A177 HydrophobicContact CD1-CB 3.67Å
152N96.3Very high96Very high57 Ų5755.9 Ų55.931%0.30530%0.299SS..  trans-110.3151.7-176.2-61.9-17.7000112.3A149 M159 N173A149-N152 PolarHBondContact O-OD1 3.13Å; N152-M159 CarbonylContact C-O 3.51Å; N152-M159 WeakPolarHBondContact CA-O 3.29Å; N152-M159 HydrophobicContact CB-CB 4.27Å; N152-N173 PolarHBondContact O-ND2 2.98Å
153G95.1Very high95.9Very high17 Ų1760.1 Ų60.118%0.17532%0.319CS..  trans-79-164167.400000112.4M159G153-M159 PolarHBondContact N-O 2.88Å
154R95.6Very high95.9Very high167 Ų16763 Ų6363%0.6334%0.337SS*.SBendtrans-78.2-29.7-171.4-175.3-177.4-63.9-138.8-5.7113.9D166 L169R154-D166 IonicContact CZ-OD1 2.95Å; R154-D166 VanDerWaalsContact CZ-OD1 3.31Å; R154-D166 IonicContact NE-OD1 2.71Å; R154-D166 PolarHBondContact NE-OD1 2.91Å; R154-D166 IonicContact NH2-OD1 2.97Å; R154-D166 PolarHBondContact NH2-OD1 3.23Å; R154-L169 HydrophobicContact CB-CD2 4.18Å
155Y95.1Very high96Very high58 Ų5863 Ų6323%0.22735%0.346CS..BIsolated β-bridgetrans-96116.1-165.3-48-78000111.1N157 R158 M159 A161 E163 D166Y155-N157 VanDerWaalsContact C-N 3.26Å; Y155-N157 PolarHBondContact O-N 3.41Å; Y155-R158 CarbonylContact O-C 2.99Å; Y155-R158 PolarHBondContact O-N 2.89Å; Y155-R158 VanDerWaalsContact O-O 3.1Å; Y155-M159 WeakPolarHBondContact O-CA 3.35Å; Y155-M159 PolarHBondContact O-N 2.89Å; Y155-M159 VanDerWaalsContact O-N 3.14Å; Y155-A161 HydrophobicContact CD2-CB 4.19Å; Y155-E163 HydrophobicContact CE2-CG 3.96Å; Y155-E163 WeakPolarHBondContact OH-CG 3.18Å; Y155-E163 PolarHBondContact OH-OE2 3.45Å; Y155-D166 VanDerWaalsContact CE2-OD2 3.29Å; Y155-D166 WeakPolarHBondContact CE2-OD2 3.35Å; Y155-D166 PolarHBondContact OH-OD2 2.94Å
156S92.7Very high96.2Very high114 Ų11458.5 Ų58.580%0.79732%0.324SS*.THydrogen-bonded Turntrans-64.8-27.8-177.455.60000114
157N93.8Very high96.3Very high113 Ų11356.2 Ų56.260%0.60431%0.31SS*.THydrogen-bonded Turntrans-87.8-7.6176.367.3-31.9000113.5Y155Y155-N157 VanDerWaalsContact C-N 3.26Å; Y155-N157 PolarHBondContact O-N 3.41Å
158R96.1Very high96.3Very high121 Ų12159.8 Ų59.846%0.45734%0.335SS..BIsolated β-bridgetrans-149.170.5-179.9-63.1-176.7-172.7170.21.1108.6D131 Y134 Y155 Y160 A161D131-R158 WeakPolarHBondContact OD2-CA 3.34Å; Y134-R158 HydrophobicContact CD1-CB 4.45Å; Y134-R158 HydrophobicContact CD1-CG 4.05Å; Y134-R158 HydrophobicContact CD2-CB 4.4Å; Y134-R158 HydrophobicContact CD2-CG 4.42Å; Y134-R158 HydrophobicContact CE1-CB 3.94Å; Y134-R158 HydrophobicContact CE1-CG 3.97Å; Y134-R158 HydrophobicContact CE2-CB 3.89Å; Y134-R158 HydrophobicContact CE2-CG 4.36Å; Y134-R158 HydrophobicContact CG-CG 4.28Å; Y134-R158 WeakPolarHBondContact OH-CA 3.33Å; Y155-R158 CarbonylContact O-C 2.99Å; Y155-R158 PolarHBondContact O-N 2.89Å; Y155-R158 VanDerWaalsContact O-O 3.1Å; R158-Y160 PolarHBondContact O-N 2.89Å; R158-A161 HydrophobicContact CB-CB 3.76Å; R158-A161 WeakPolarHBondContact O-CB 3.28Å; R158-A161 PolarHBondContact O-N 3.47Å; R158-A161 VanDerWaalsContact O-N 3.1Å
159M96.9Very high96.4Very high57 Ų5761.4 Ų61.428%0.28135%0.345SS..THydrogen-bonded Turntrans-62.4-18.5-167.9-66.4-171.3-70.100113.7D131 Y134 N152 G153 Y155D131-M159 HydrophobicContact CB-CE 3.83Å; D131-M159 PolarHBondContact OD2-N 3.44Å; Y134-M159 PolarHBondContact OH-N 3.27Å; N152-M159 CarbonylContact C-O 3.51Å; N152-M159 WeakPolarHBondContact CA-O 3.29Å; N152-M159 HydrophobicContact CB-CB 4.27Å; G153-M159 PolarHBondContact N-O 2.88Å; Y155-M159 WeakPolarHBondContact O-CA 3.35Å; Y155-M159 PolarHBondContact O-N 2.89Å; Y155-M159 VanDerWaalsContact O-N 3.14Å
160Y97.7Very high96.6Very high5 Ų558.9 Ų58.92%0.0232%0.324CS..THydrogen-bonded Turntrans-116.111.1-178.3-52.6-83.7000112.4P130 D131 Y134 R137 I138 L139 A149 R158 Y162P130-Y160 HydrophobicContact CG-CD2 4.34Å; P130-Y160 HydrophobicContact CG-CE2 3.42Å; P130-Y160 VanDerWaalsContact CG-CE2 3.42Å; D131-Y160 VanDerWaalsContact OD1-CD2 3.31Å; D131-Y160 WeakPolarHBondContact OD1-CD2 3.43Å; Y134-Y160 PolarHBondContact OH-N 3.44Å; R137-Y160 WeakPolarHBondContact CA-O 3.41Å; R137-Y160 HydrophobicContact CG-CG 4.5Å; I138-Y160 PolarHBondContact N-O 3.22Å; L139-Y160 HydrophobicContact CD2-CD1 4.01Å; L139-Y160 HydrophobicContact CD2-CE1 4.08Å; L139-Y160 HydrophobicContact CD2-CG 4.21Å; L139-Y160 HydrophobicContact CG-CD1 4.03Å; L139-Y160 HydrophobicContact CG-CG 4.19Å; A149-Y160 WeakPolarHBondContact CA-OH 3.26Å; R158-Y160 PolarHBondContact O-N 2.89Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.29Å
161A97.5Very high96.7Very high12 Ų1255 Ų5510%0.09930%0.303CS..  trans-82.9143.5171.300000111.1Y134 Y155 R158Y134-A161 HydrophobicContact CD2-CB 4.32Å; Y134-A161 HydrophobicContact CE2-CB 3.74Å; Y155-A161 HydrophobicContact CD2-CB 4.19Å; R158-A161 HydrophobicContact CB-CB 3.76Å; R158-A161 WeakPolarHBondContact O-CB 3.28Å; R158-A161 PolarHBondContact O-N 3.47Å; R158-A161 VanDerWaalsContact O-N 3.1Å
162Y98.1Very high96.8Very high6 Ų657.9 Ų57.92%0.02432%0.323CS..  trans-131.9133.1172.6-62.7-96.4000108.4L96 I138 Y160 D166 L169 L170 N173L96-Y162 WeakPolarHBondContact CD2-O 3.43Å; I138-Y162 HydrophobicContact CB-CD2 3.94Å; I138-Y162 HydrophobicContact CB-CE2 3.81Å; I138-Y162 HydrophobicContact CD1-CD2 4.03Å; I138-Y162 HydrophobicContact CG1-CD2 4.32Å; I138-Y162 HydrophobicContact CG2-CE2 4.33Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.29Å; Y162-D166 HydrophobicContact CD1-CB 4.21Å; Y162-L169 HydrophobicContact CE1-CG 4.45Å; Y162-L170 HydrophobicContact CD1-CB 3.77Å; Y162-L170 HydrophobicContact CD1-CD1 4.09Å; Y162-L170 HydrophobicContact CD1-CG 4.43Å; Y162-L170 HydrophobicContact CD2-CD1 4.31Å; Y162-L170 HydrophobicContact CE1-CB 3.94Å; Y162-L170 HydrophobicContact CE1-CD1 3.85Å; Y162-L170 HydrophobicContact CE2-CD1 4.11Å; Y162-L170 HydrophobicContact CG-CB 4.47Å; Y162-L170 HydrophobicContact CG-CD1 4.31Å; Y162-N173 PolarHBondContact OH-ND2 3.44Å
163E96.8Very high96.9Very high95 Ų9555.9 Ų55.944%0.44431%0.313SS..  trans-96.8173.4170.6-64-172.5178.600110.7Y155 G165 D166Y155-E163 HydrophobicContact CE2-CG 3.96Å; Y155-E163 WeakPolarHBondContact OH-CG 3.18Å; Y155-E163 PolarHBondContact OH-OE2 3.45Å; E163-G165 PolarHBondContact O-N 2.96Å; E163-D166 PolarHBondContact N-OD2 2.94Å; E163-D166 PolarHBondContact O-N 3.44Å
164T97.2Very high97.1Very high73 Ų7355.1 Ų55.145%0.44831%0.305SS..G310 helixtrans-59.6-28.4179.452.90000112.9A95 V99 D166 I167A95-T164 HydrophobicContact CB-CG2 3.78Å; A95-T164 WeakPolarHBondContact O-CG2 3.37Å; V99-T164 HydrophobicContact CG1-CG2 4.16Å; V99-T164 HydrophobicContact CG2-CG2 3.96Å; T164-D166 VanDerWaalsContact C-N 3.32Å; T164-I167 WeakPolarHBondContact O-CG1 3.23Å
165G96.8Very high97.2Very high64 Ų6450.6 Ų50.666%0.6629%0.291SS*.G310 helixtrans-77.4-10.7174.400000114.9E163E163-G165 PolarHBondContact O-N 2.96Å
166D97.7Very high97.3Very high3 Ų350.1 Ų50.12%0.01629%0.294CS..G310 helixtrans-97.210.7-175.8-63.6-53.3000113.2R154 Y155 Y162 E163 T164 S168 L169 L170R154-D166 IonicContact CZ-OD1 2.95Å; R154-D166 VanDerWaalsContact CZ-OD1 3.31Å; R154-D166 IonicContact NE-OD1 2.71Å; R154-D166 PolarHBondContact NE-OD1 2.91Å; R154-D166 IonicContact NH2-OD1 2.97Å; R154-D166 PolarHBondContact NH2-OD1 3.23Å; Y155-D166 VanDerWaalsContact CE2-OD2 3.29Å; Y155-D166 WeakPolarHBondContact CE2-OD2 3.35Å; Y155-D166 PolarHBondContact OH-OD2 2.94Å; Y162-D166 HydrophobicContact CD1-CB 4.21Å; E163-D166 PolarHBondContact N-OD2 2.94Å; E163-D166 PolarHBondContact O-N 3.44Å; T164-D166 VanDerWaalsContact C-N 3.32Å; D166-S168 VanDerWaalsContact C-N 3.31Å; D166-S168 PolarHBondContact O-N 3.05Å; D166-L169 CarbonylContact O-C 3.59Å; D166-L169 WeakPolarHBondContact O-CA 3.34Å; D166-L169 WeakPolarHBondContact O-CB 3.44Å; D166-L169 PolarHBondContact O-N 3.39Å; D166-L170 PolarHBondContact O-N 3.07Å
167I97.8Very high97.6Very high19 Ų1944.7 Ų44.710%0.09726%0.256CS..Hα-helixtrans-58.7-39.6-176.6-70.5-63.7000112.9L96 V99 I106 T164 L169 L170 I171L96-I167 HydrophobicContact CD1-CD1 3.93Å; V99-I167 HydrophobicContact CB-CD1 4.45Å; V99-I167 HydrophobicContact CB-CG1 4.27Å; V99-I167 HydrophobicContact CG2-CD1 3.7Å; V99-I167 HydrophobicContact CG2-CG1 3.77Å; I106-I167 HydrophobicContact CD1-CD1 4.05Å; I106-I167 HydrophobicContact CD1-CG2 3.95Å; T164-I167 WeakPolarHBondContact O-CG1 3.23Å; I167-L169 VanDerWaalsContact C-N 3.3Å; I167-L169 PolarHBondContact O-N 3.32Å; I167-L170 HydrophobicContact CD1-CD2 4.3Å; I167-L170 PolarHBondContact O-N 3Å; I167-I171 HydrophobicContact CG2-CD1 4.05Å; I167-I171 WeakPolarHBondContact O-CG1 3.36Å; I167-I171 PolarHBondContact O-N 3.04Å
168S97.9Very high97.7Very high98 Ų9842.8 Ų42.869%0.68524%0.243SC*.Hα-helixtrans-64.4-35.8175.2-56.40000112.4D166 S172D166-S168 VanDerWaalsContact C-N 3.31Å; D166-S168 PolarHBondContact O-N 3.05Å; S168-S172 PolarHBondContact O-N 2.78Å; S168-S172 VanDerWaalsContact O-N 3.11Å
169L98.3Very high97.7Very high52 Ų5244.1 Ų44.127%0.27225%0.252SS..Hα-helixtrans-68.6-43.4174.3175.861.7000110.6R154 Y162 D166 I167 I171 S172 N173R154-L169 HydrophobicContact CB-CD2 4.18Å; Y162-L169 HydrophobicContact CE1-CG 4.45Å; D166-L169 CarbonylContact O-C 3.59Å; D166-L169 WeakPolarHBondContact O-CA 3.34Å; D166-L169 WeakPolarHBondContact O-CB 3.44Å; D166-L169 PolarHBondContact O-N 3.39Å; I167-L169 VanDerWaalsContact C-N 3.3Å; I167-L169 PolarHBondContact O-N 3.32Å; L169-I171 VanDerWaalsContact C-N 3.31Å; L169-I171 PolarHBondContact O-N 3Å; L169-S172 WeakPolarHBondContact O-CB 3.46Å; L169-S172 PolarHBondContact O-N 3.04Å; L169-S172 VanDerWaalsContact O-N 3.12Å; L169-N173 WeakPolarHBondContact O-CB 3.29Å; L169-N173 PolarHBondContact O-N 2.95Å
170L98.5Very high97.6Very high0 Ų044.3 Ų44.30%025%0.253CS..Hα-helixtrans-57.2-44.8175.7179.359.6000111.5F100 I106 I138 F140 Y162 D166 I167 S172 N173 M174F100-L170 HydrophobicContact CD2-CD2 3.84Å; F100-L170 HydrophobicContact CE2-CD2 3.99Å; I106-L170 HydrophobicContact CD1-CD2 4.12Å; I138-L170 HydrophobicContact CD1-CD1 4.11Å; I138-L170 HydrophobicContact CD1-CD2 3.99Å; I138-L170 HydrophobicContact CG2-CD1 4.15Å; F140-L170 HydrophobicContact CZ-CD1 4.13Å; Y162-L170 HydrophobicContact CD1-CB 3.77Å; Y162-L170 HydrophobicContact CD1-CD1 4.09Å; Y162-L170 HydrophobicContact CD1-CG 4.43Å; Y162-L170 HydrophobicContact CD2-CD1 4.31Å; Y162-L170 HydrophobicContact CE1-CB 3.94Å; Y162-L170 HydrophobicContact CE1-CD1 3.85Å; Y162-L170 HydrophobicContact CE2-CD1 4.11Å; Y162-L170 HydrophobicContact CG-CB 4.47Å; Y162-L170 HydrophobicContact CG-CD1 4.31Å; D166-L170 PolarHBondContact O-N 3.07Å; I167-L170 HydrophobicContact CD1-CD2 4.3Å; I167-L170 PolarHBondContact O-N 3Å; L170-S172 PolarHBondContact O-N 2.87Å; L170-N173 PolarHBondContact O-N 3.28Å; L170-M174 HydrophobicContact CG-SD 4.31Å; L170-M174 VanDerWaalsContact O-CG 3.29Å; L170-M174 WeakPolarHBondContact O-CG 3.24Å; L170-M174 PolarHBondContact O-N 2.89Å
171I98.4Very high97.4Very high20 Ų2047.5 Ų47.510%0.10327%0.271CS..Hα-helixtrans-60-45.1175.3-69.7165.6000110.8E105 I106 I167 L169 N173 M174 Q175E105-I171 HydrophobicContact CB-CD1 4.41Å; E105-I171 HydrophobicContact CG-CD1 4.43Å; E105-I171 HydrophobicContact CG-CG2 4.38Å; E105-I171 VanDerWaalsContact OE1-CG2 3.28Å; E105-I171 WeakPolarHBondContact OE1-CG2 3.28Å; I106-I171 HydrophobicContact CD1-CG1 4.17Å; I106-I171 HydrophobicContact CG1-CD1 4.17Å; I106-I171 HydrophobicContact CG1-CG1 3.69Å; I167-I171 HydrophobicContact CG2-CD1 4.05Å; I167-I171 WeakPolarHBondContact O-CG1 3.36Å; I167-I171 PolarHBondContact O-N 3.04Å; L169-I171 VanDerWaalsContact C-N 3.31Å; L169-I171 PolarHBondContact O-N 3Å; I171-N173 VanDerWaalsContact C-N 3.32Å; I171-N173 PolarHBondContact O-N 2.91Å; I171-M174 WeakPolarHBondContact O-CB 3.36Å; I171-M174 PolarHBondContact O-N 3.38Å; I171-Q175 WeakPolarHBondContact O-CG 3.21Å; I171-Q175 PolarHBondContact O-N 2.94Å
172S98.4Very high96.6Very high64 Ų6456.3 Ų56.345%0.44831%0.306SS..Hα-helixtrans-60.6-41.3176-169.70000112.3S168 L169 L170 Q175 T176S168-S172 PolarHBondContact O-N 2.78Å; S168-S172 VanDerWaalsContact O-N 3.11Å; L169-S172 WeakPolarHBondContact O-CB 3.46Å; L169-S172 PolarHBondContact O-N 3.04Å; L169-S172 VanDerWaalsContact O-N 3.12Å; L170-S172 PolarHBondContact O-N 2.87Å; S172-Q175 PolarHBondContact O-N 2.96Å; S172-T176 PolarHBondContact O-N 3.01Å; S172-T176 PolarHBondContact O-OG1 3.45Å; S172-T176 VanDerWaalsContact O-OG1 3.12Å
173N98.6Very high95.1Very high16 Ų1660 Ų609%0.08634%0.338CS..Hα-helixtrans-66-38.3176.2-77.7-4.1000111.8F140 I151 N152 Y162 L169 L170 I171 Q175 T176 A177F140-N173 HydrophobicContact CE2-CB 4.08Å; I151-N173 HydrophobicContact CG2-CB 3.48Å; I151-N173 VanDerWaalsContact CG2-CB 3.48Å; N152-N173 PolarHBondContact O-ND2 2.98Å; Y162-N173 PolarHBondContact OH-ND2 3.44Å; L169-N173 WeakPolarHBondContact O-CB 3.29Å; L169-N173 PolarHBondContact O-N 2.95Å; L170-N173 PolarHBondContact O-N 3.28Å; I171-N173 VanDerWaalsContact C-N 3.32Å; I171-N173 PolarHBondContact O-N 2.91Å; N173-Q175 PolarHBondContact O-N 3.35Å; N173-T176 WeakPolarHBondContact O-CB 3.35Å; N173-T176 PolarHBondContact O-N 3.27Å; N173-T176 VanDerWaalsContact O-N 3.17Å; N173-A177 PolarHBondContact O-N 2.76Å
174M98.6Very high93.2Very high1 Ų164.9 Ų64.91%0.00536%0.361CS..Hα-helixtrans-61.3-42.9170.9-69.11696400111.5I106 T109 L110 F114 F140 L170 I171 T176 A177 K178I106-M174 HydrophobicContact CG1-SD 4.18Å; I106-M174 HydrophobicContact CG2-CE 4.49Å; I106-M174 HydrophobicContact CG2-SD 4.47Å; T109-M174 HydrophobicContact CG2-CE 3.66Å; L110-M174 HydrophobicContact CD2-CE 3.62Å; L110-M174 HydrophobicContact CG-CE 3.81Å; F114-M174 HydrophobicContact CE2-CB 4.28Å; F114-M174 HydrophobicContact CE2-CE 4.34Å; F114-M174 HydrophobicContact CZ-CB 4.13Å; F114-M174 WeakPolarHBondContact CZ-O 3.15Å; F140-M174 HydrophobicContact CE1-CG 3.87Å; F140-M174 HydrophobicContact CZ-CG 3.79Å; L170-M174 HydrophobicContact CG-SD 4.31Å; L170-M174 VanDerWaalsContact O-CG 3.29Å; L170-M174 WeakPolarHBondContact O-CG 3.24Å; L170-M174 PolarHBondContact O-N 2.89Å; I171-M174 WeakPolarHBondContact O-CB 3.36Å; I171-M174 PolarHBondContact O-N 3.38Å; M174-T176 VanDerWaalsContact C-N 3.25Å; M174-T176 PolarHBondContact O-N 3.25Å; M174-A177 PolarHBondContact O-N 3.08Å; M174-K178 WeakPolarHBondContact O-CG 3.35Å; M174-K178 PolarHBondContact O-N 2.91Å
175Q98.2Very high90.4Very high71 Ų7172.8 Ų72.833%0.33240%0.399SS..Hα-helixtrans-64.1-31.9175.2-61.2-52.9-30.700112.6I171 S172 N173I171-Q175 WeakPolarHBondContact O-CG 3.21Å; I171-Q175 PolarHBondContact O-N 2.94Å; S172-Q175 PolarHBondContact O-N 2.96Å; N173-Q175 PolarHBondContact O-N 3.35Å
176T98Very high90.1Very high48 Ų4873.2 Ų73.229%0.29439%0.386SS..Hα-helixtrans-71.5-41.6174.5-590000111.5I151 S172 N173 M174 K178 K179I151-T176 HydrophobicContact CD1-CG2 4.06Å; I151-T176 HydrophobicContact CG1-CG2 4.08Å; S172-T176 PolarHBondContact O-N 3.01Å; S172-T176 PolarHBondContact O-OG1 3.45Å; S172-T176 VanDerWaalsContact O-OG1 3.12Å; N173-T176 WeakPolarHBondContact O-CB 3.35Å; N173-T176 PolarHBondContact O-N 3.27Å; N173-T176 VanDerWaalsContact O-N 3.17Å; M174-T176 VanDerWaalsContact C-N 3.25Å; M174-T176 PolarHBondContact O-N 3.25Å; T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.49Å; T176-K179 WeakPolarHBondContact O-CB 3.34Å; T176-K179 PolarHBondContact O-N 3.35Å
177A98Very high89.7Confident1 Ų176.9 Ų76.91%0.00841%0.406CS..Hα-helixtrans-64.5-29.817700000113F114 F140 I151 N173 M174 K179F114-A177 HydrophobicContact CE1-CB 4.03Å; F114-A177 HydrophobicContact CZ-CB 4.03Å; F140-A177 HydrophobicContact CB-CB 3.83Å; F140-A177 HydrophobicContact CD1-CB 3.68Å; F140-A177 HydrophobicContact CD2-CB 4.19Å; F140-A177 HydrophobicContact CE1-CB 4.27Å; F140-A177 HydrophobicContact CG-CB 3.62Å; I151-A177 HydrophobicContact CD1-CB 3.67Å; N173-A177 PolarHBondContact O-N 2.76Å; M174-A177 PolarHBondContact O-N 3.08Å; A177-K179 PolarHBondContact O-N 3.19Å
178K96.9Very high89.3Confident73 Ų7380.1 Ų80.132%0.31742%0.423SS..THydrogen-bonded Turntrans-63.8-23.9172.3-74.9174.157.5172.80113.7T109 D113 F114 M174 T176 L180T109-K178 HydrophobicContact CG2-CD 4.1Å; D113-K178 HydrophobicContact CB-CD 3.99Å; D113-K178 HydrophobicContact CB-CG 4.25Å; D113-K178 IonicContact OD1-NZ 3.36Å; D113-K178 VanDerWaalsContact OD2-CE 3.22Å; D113-K178 WeakPolarHBondContact OD2-CE 3.46Å; D113-K178 IonicContact OD2-NZ 2.72Å; D113-K178 PolarHBondContact OD2-NZ 3.15Å; F114-K178 HydrophobicContact CE2-CD 4.03Å; F114-K178 HydrophobicContact CE2-CG 3.63Å; F114-K178 HydrophobicContact CZ-CG 3.85Å; M174-K178 WeakPolarHBondContact O-CG 3.35Å; M174-K178 PolarHBondContact O-N 2.91Å; T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.49Å; K178-L180 PolarHBondContact O-N 3.47Å; K178-L180 VanDerWaalsContact O-N 3.1Å
179K96.5Very high88.8Confident149 Ų14979.1 Ų79.165%0.64841%0.407SS*.SBendtrans-79.793.9172.5-60.4174.2-174.7172.60107.4R148 T176 A177R148-K179 PolarHBondContact NH1-O 3.27Å; T176-K179 WeakPolarHBondContact O-CB 3.34Å; T176-K179 PolarHBondContact O-N 3.35Å; A177-K179 PolarHBondContact O-N 3.19Å
180L94.9Very high88.2Confident60 Ų6080.8 Ų80.831%0.31442%0.416SS..PPolyproline II helixtrans-59.2149-178.9-56.1-173.2000111.1P80 D142 P143 K178P80-L180 HydrophobicContact CB-CD2 4.49Å; D142-L180 VanDerWaalsContact OD2-CA 3.32Å; D142-L180 WeakPolarHBondContact OD2-CA 3.25Å; P143-L180 HydrophobicContact CG-CD1 4.17Å; P143-L180 HydrophobicContact CG-CD2 3.86Å; K178-L180 PolarHBondContact O-N 3.47Å; K178-L180 VanDerWaalsContact O-N 3.1Å
181L91.9Very high87.5Confident73 Ų7386.1 Ų86.138%0.38244%0.444SS..PPolyproline II helixtrans-61.4141.4172.9-63.1178.2000109.4D142 T146 A183D142-L181 HydrophobicContact CB-CD1 4.01Å; D142-L181 HydrophobicContact CB-CG 4.18Å; D142-L181 PolarHBondContact OD2-N 3.47Å; T146-L181 HydrophobicContact CG2-CD1 3.93Å; L181-A183 PolarHBondContact O-N 3.22Å
182K82.1Confident86.7Confident196 Ų19690.9 Ų90.985%0.85247%0.468SS*.PPolyproline II helixtrans-66.2132.6173.5-66.8-176.8-179.51800107.4E184K182-E184 PolarHBondContact O-N 3.32Å; K182-E184 VanDerWaalsContact O-N 3.11Å
183A65.3Low85.8Confident84 Ų8492.9 Ų92.969%0.69447%0.47SS*.PPolyproline II helixtrans-59.6117.4163.500000106.9L181 L185L181-A183 PolarHBondContact O-N 3.22Å; A183-L185 PolarHBondContact O-N 2.72Å; A183-L185 VanDerWaalsContact O-N 3.12Å
184E57.2Low84.8Confident198 Ų19899.3 Ų99.393%0.92550%0.502SS*.  trans-63.9112.4163.5-64.1-167.9159.400105.9K182K182-E184 PolarHBondContact O-N 3.32Å; K182-E184 VanDerWaalsContact O-N 3.11Å
185L39.5Very low83.5Confident238 Ų238108.3 Ų108.3100%1.24655%0.547SS*.  trans-85.60176.5-78.7166.9000109.9A183A183-L185 PolarHBondContact O-N 2.72Å; A183-L185 VanDerWaalsContact O-N 3.12Å

Retrieved 185 of 185 residues in 841 ms (Link to these results)

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