A0A3B3UWF5_9TELE Loading...

Protein BTG1

Anti-proliferative protein.

AlphaFold DB , UniProt , Accession A0A3B3UWF5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 180 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
1M35.7Very low61.2Low235 Ų235116.4 Ų116.4100%1.15859%0.594SS**  093.30-69.4-69172.700106.8
2H41.3Very low64.2Low177 Ų177110.9 Ų110.982%0.81957%0.572SS**  trans-76126.7176.2-75.9-80.5000108.1L4H2-L4 PolarHBondContact O-N 3.45Å; H2-L4 VanDerWaalsContact O-N 3.08Å
3P47.3Very low66.8Low118 Ų118102.6 Ų102.677%0.76653%0.529SS*.  trans-61.6116.3173.524.7-29.7000107.6C5P3-C5 PolarHBondContact O-N 3.2Å
4L50.8Low69.1Low148 Ų14895.6 Ų95.678%0.77549%0.493SS*.  trans-64.3108.7171.6-66.5167.9000105.7H2 V131H2-L4 PolarHBondContact O-N 3.45Å; H2-L4 VanDerWaalsContact O-N 3.08Å; L4-V131 WeakPolarHBondContact O-CG2 3.33Å
5C54.3Low71Confident41 Ų4193.3 Ų93.328%0.27748%0.482SS..  trans-71.2144.8176-162.60000108.4P3 R7 D58 P128P3-C5 PolarHBondContact O-N 3.2Å; C5-R7 PolarHBondContact O-N 3.14Å; C5-D58 VanDerWaalsContact CB-OD1 3.3Å; C5-D58 WeakPolarHBondContact CB-OD1 3.33Å; C5-P128 WeakPolarHBondContact SG-CB 3.45Å
6A53.6Low72.8Confident30 Ų3088.9 Ų88.925%0.24846%0.464CS..  trans-57.1134179.400000110.1G8 G129 V131A6-G8 PolarHBondContact O-N 2.96Å; A6-G129 WeakPolarHBondContact CB-O 3.33Å; A6-V131 HydrophobicContact CB-CG2 3.93Å
7R56.8Low74.3Confident234 Ų23483.7 Ų83.788%0.88344%0.437SS*.  trans-62.388.3169.1-78-174.6178.8-153.41.2108.5C5 T9C5-R7 PolarHBondContact O-N 3.14Å; R7-T9 PolarHBondContact O-N 3.09Å
8G59.8Low75.6Confident20 Ų2079.1 Ų79.121%0.20641%0.412CS..  trans-56.8120.1165.900000108.5A6 W55A6-G8 PolarHBondContact O-N 2.96Å; G8-W55 PolarHBondContact O-NE1 3.47Å; G8-W55 VanDerWaalsContact O-NE1 3.15Å
9T83.3Confident76.8Confident101 Ų10176.4 Ų76.462%0.6241%0.406SS*.  trans-68.1137.9171.2620000108.3R7 K11 P12R7-T9 PolarHBondContact O-N 3.09Å; T9-K11 PolarHBondContact O-N 2.73Å; T9-P12 WeakPolarHBondContact O-CD 3.39Å
10M94.9Very high77.9Confident35 Ų3573.4 Ų73.417%0.17239%0.389CS..SBendtrans-66.5-2.3-179.664-175.575.800115.9E13 I14 A48 W55M10-E13 VanDerWaalsContact C-OE2 3.22Å; M10-E13 WeakPolarHBondContact CA-OE2 3.47Å; M10-E13 PolarHBondContact O-N 2.93Å; M10-I14 HydrophobicContact CB-CD1 4.15Å; M10-I14 HydrophobicContact CG-CD1 3.65Å; M10-I14 HydrophobicContact CG-CG1 4.5Å; M10-I14 WeakPolarHBondContact O-CB 3.47Å; M10-I14 VanDerWaalsContact O-CG1 3.3Å; M10-I14 WeakPolarHBondContact O-CG1 3.44Å; M10-I14 PolarHBondContact O-N 3.18Å; M10-I14 HydrophobicContact SD-CD1 3.71Å; M10-A48 HydrophobicContact SD-CB 4.47Å; M10-W55 VanDerWaalsContact CA-CZ2 3.47Å; M10-W55 HydrophobicContact CB-CD2 3.62Å; M10-W55 VanDerWaalsContact CB-CE2 3.41Å; M10-W55 HydrophobicContact CB-CE3 3.91Å; M10-W55 HydrophobicContact CB-CG 4.21Å; M10-W55 HydrophobicContact CB-CH2 3.86Å; M10-W55 HydrophobicContact CB-CZ2 3.53Å; M10-W55 HydrophobicContact CB-CZ3 4.03Å; M10-W55 HydrophobicContact CE-CB 3.77Å; M10-W55 HydrophobicContact CE-CD2 4.33Å; M10-W55 HydrophobicContact CE-CG 3.89Å
11K95.6Very high78.9Confident141 Ų14169.9 Ų69.961%0.61337%0.371SS*.Hα-helixtrans-66-46-169.3-175.5176-178.4177.20113.1T9 E13 N15T9-K11 PolarHBondContact O-N 2.73Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 PolarHBondContact O-N 3.09Å; K11-N15 VanDerWaalsContact O-CB 3.28Å; K11-N15 WeakPolarHBondContact O-CB 3.5Å; K11-N15 PolarHBondContact O-N 3.14Å; K11-N15 PolarHBondContact O-ND2 2.88Å
12P96.8Very high81.8Confident51 Ų5158.7 Ų58.733%0.33132%0.316SS..Hα-helixtrans-58.7-42.2176.5-24.236.1000112.9T9 N15 A16 Y124T9-P12 WeakPolarHBondContact O-CD 3.39Å; P12-N15 PolarHBondContact O-N 3.5Å; P12-A16 WeakPolarHBondContact O-CB 3.45Å; P12-A16 PolarHBondContact O-N 3.1Å; P12-Y124 HydrophobicContact CB-CE2 4.06Å
13E98.3Very high84.3Confident3 Ų358 Ų581%0.01431%0.306CS..Hα-helixtrans-68.9-46.6-178.7-6192.1157.700111.3M10 K11 N15 A16 A17 W55 V105 D106 F108 V110 Y124M10-E13 VanDerWaalsContact C-OE2 3.22Å; M10-E13 WeakPolarHBondContact CA-OE2 3.47Å; M10-E13 PolarHBondContact O-N 2.93Å; K11-E13 VanDerWaalsContact C-N 3.32Å; K11-E13 PolarHBondContact O-N 3.09Å; E13-N15 VanDerWaalsContact C-N 3.31Å; E13-N15 PolarHBondContact O-N 3.23Å; E13-A16 PolarHBondContact O-N 3.22Å; E13-A17 WeakPolarHBondContact O-CB 3.28Å; E13-A17 PolarHBondContact O-N 3.19Å; E13-W55 HydrophobicContact CB-CH2 3.91Å; E13-W55 HydrophobicContact CB-CZ2 4.44Å; E13-W55 HydrophobicContact CG-CH2 4.07Å; E13-W55 HydrophobicContact CG-CZ2 4.25Å; E13-V105 HydrophobicContact CB-CG1 3.9Å; E13-D106 WeakPolarHBondContact CG-O 3.42Å; E13-F108 PolarHBondContact OE1-N 3.13Å; E13-V110 HydrophobicContact CB-CG2 3.63Å; E13-V110 HydrophobicContact CG-CG2 4.12Å; E13-V110 WeakPolarHBondContact O-CG2 3.42Å; E13-Y124 HydrophobicContact CG-CD1 3.9Å; E13-Y124 HydrophobicContact CG-CE1 3.71Å
14I98.6Very high86.6Confident4 Ų454.7 Ų54.72%0.02128%0.28CS..Hα-helixtrans-59.1-44.6173.4-71.8176.5000110.6M10 A16 A17 V18 Q44 L47 A48 Y51 V105M10-I14 HydrophobicContact CB-CD1 4.15Å; M10-I14 HydrophobicContact CG-CD1 3.65Å; M10-I14 HydrophobicContact CG-CG1 4.5Å; M10-I14 WeakPolarHBondContact O-CB 3.47Å; M10-I14 VanDerWaalsContact O-CG1 3.3Å; M10-I14 WeakPolarHBondContact O-CG1 3.44Å; M10-I14 PolarHBondContact O-N 3.18Å; M10-I14 HydrophobicContact SD-CD1 3.71Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.24Å; I14-A17 PolarHBondContact O-N 3.2Å; I14-V18 HydrophobicContact CG2-CG2 4.14Å; I14-V18 WeakPolarHBondContact O-CB 3.49Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.49Å; I14-V18 PolarHBondContact O-N 3.4Å; I14-Q44 HydrophobicContact CG2-CB 4.14Å; I14-Q44 HydrophobicContact CG2-CG 3.96Å; I14-L47 HydrophobicContact CD1-CB 4Å; I14-L47 HydrophobicContact CG1-CB 4.22Å; I14-L47 HydrophobicContact CG2-CB 4.21Å; I14-L47 HydrophobicContact CG2-CD1 4.25Å; I14-A48 HydrophobicContact CD1-CB 4.1Å; I14-Y51 HydrophobicContact CD1-CD2 4.04Å; I14-Y51 HydrophobicContact CD1-CE2 4.46Å; I14-Y51 HydrophobicContact CG1-CD2 4.15Å; I14-Y51 HydrophobicContact CG1-CE2 4.16Å; I14-V105 HydrophobicContact CG1-CG1 4.43Å
15N98.4Very high88.6Confident62 Ų6247.7 Ų47.733%0.33224%0.243SC..Hα-helixtrans-60.8-41.8178.6-76.5-11.4000112.1K11 P12 E13 G19 Q44K11-N15 VanDerWaalsContact O-CB 3.28Å; K11-N15 WeakPolarHBondContact O-CB 3.5Å; K11-N15 PolarHBondContact O-N 3.14Å; K11-N15 PolarHBondContact O-ND2 2.88Å; P12-N15 PolarHBondContact O-N 3.5Å; E13-N15 VanDerWaalsContact C-N 3.31Å; E13-N15 PolarHBondContact O-N 3.23Å; N15-G19 PolarHBondContact O-N 3.17Å; N15-Q44 PolarHBondContact OD1-NE2 3.06Å
16A98.6Very high90.2Very high23 Ų2351.1 Ų51.119%0.1925%0.25CC..Hα-helixtrans-63.4-50.2177.300000110.6P12 E13 I14 V18 G19 F20 V110 L123 Y124P12-A16 WeakPolarHBondContact O-CB 3.45Å; P12-A16 PolarHBondContact O-N 3.1Å; E13-A16 PolarHBondContact O-N 3.22Å; I14-A16 VanDerWaalsContact C-N 3.32Å; I14-A16 PolarHBondContact O-N 3.24Å; A16-V18 PolarHBondContact O-N 3.27Å; A16-G19 PolarHBondContact O-N 3.45Å; A16-F20 WeakPolarHBondContact O-CB 3.26Å; A16-F20 PolarHBondContact O-N 3.37Å; A16-V110 HydrophobicContact CB-CG2 4.24Å; A16-L123 HydrophobicContact CB-CD2 3.63Å; A16-L123 WeakPolarHBondContact O-CD2 3.43Å; A16-Y124 HydrophobicContact CB-CD2 4.46Å; A16-Y124 HydrophobicContact CB-CG 4.25Å
17A98.8Very high91.6Very high0 Ų055.5 Ų55.50%027%0.273CS..Hα-helixtrans-57.6-48.817800000112.9E13 I14 F20 L21 L103 V105 V110E13-A17 WeakPolarHBondContact O-CB 3.28Å; E13-A17 PolarHBondContact O-N 3.19Å; I14-A17 PolarHBondContact O-N 3.2Å; A17-F20 WeakPolarHBondContact O-CB 3.39Å; A17-F20 PolarHBondContact O-N 3.39Å; A17-L21 PolarHBondContact O-N 3.31Å; A17-L21 VanDerWaalsContact O-N 3.11Å; A17-L103 HydrophobicContact CB-CD2 3.96Å; A17-V105 HydrophobicContact CB-CG1 4.37Å; A17-V105 HydrophobicContact CB-CG2 3.6Å; A17-V110 HydrophobicContact CB-CG1 4.16Å
18V98.8Very high92.4Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-67.5-40179.5173.60000111.5I14 A16 F20 L21 S22 L43 Q44 L47I14-V18 HydrophobicContact CG2-CG2 4.14Å; I14-V18 WeakPolarHBondContact O-CB 3.49Å; I14-V18 VanDerWaalsContact O-CG2 3.28Å; I14-V18 WeakPolarHBondContact O-CG2 3.49Å; I14-V18 PolarHBondContact O-N 3.4Å; A16-V18 PolarHBondContact O-N 3.27Å; V18-F20 VanDerWaalsContact C-N 3.3Å; V18-F20 PolarHBondContact O-N 3.39Å; V18-L21 PolarHBondContact O-N 3.37Å; V18-S22 VanDerWaalsContact O-CB 3.26Å; V18-S22 WeakPolarHBondContact O-CB 3.4Å; V18-S22 PolarHBondContact O-N 2.74Å; V18-S22 PolarHBondContact O-OG 3.32Å; V18-L43 HydrophobicContact CG1-CB 4.39Å; V18-L43 HydrophobicContact CG2-CB 4.08Å; V18-L43 HydrophobicContact CG2-CD2 3.96Å; V18-L43 HydrophobicContact CG2-CG 3.83Å; V18-Q44 HydrophobicContact CB-CG 4.16Å; V18-Q44 HydrophobicContact CG1-CG 4.14Å; V18-Q44 HydrophobicContact CG2-CG 3.9Å; V18-L47 HydrophobicContact CG2-CD1 3.92Å
19G98.3Very high92.6Very high28 Ų2852.5 Ų52.529%0.28928%0.28SS..Hα-helixtrans-60.3-41.6175.200000111.9N15 A16 S22 R23N15-G19 PolarHBondContact O-N 3.17Å; A16-G19 PolarHBondContact O-N 3.45Å; G19-S22 PolarHBondContact O-N 3.22Å; G19-R23 WeakPolarHBondContact O-CG 3.3Å; G19-R23 PolarHBondContact O-N 3.2Å
20F98.3Very high92.3Very high16 Ų1654.9 Ų54.97%0.0728%0.284CS..Hα-helixtrans-60.3-51.8174.7177.3-112.9000112.2A16 A17 V18 S22 R23 F24 L101 L103 Y112 I114 L123A16-F20 WeakPolarHBondContact O-CB 3.26Å; A16-F20 PolarHBondContact O-N 3.37Å; A17-F20 WeakPolarHBondContact O-CB 3.39Å; A17-F20 PolarHBondContact O-N 3.39Å; V18-F20 VanDerWaalsContact C-N 3.3Å; V18-F20 PolarHBondContact O-N 3.39Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 2.86Å; F20-R23 WeakPolarHBondContact O-CB 3.45Å; F20-R23 PolarHBondContact O-N 3.41Å; F20-F24 HydrophobicContact CD1-CE2 4.14Å; F20-F24 HydrophobicContact CD2-CE2 4.29Å; F20-F24 AromaticContact CE1-CE2 3.71Å; F20-F24 HydrophobicContact CE1-CE2 3.71Å; F20-F24 HydrophobicContact CE1-CZ 4.31Å; F20-F24 AromaticContact CE2-CE2 3.88Å; F20-F24 HydrophobicContact CE2-CE2 3.88Å; F20-F24 HydrophobicContact CE2-CZ 4.06Å; F20-F24 HydrophobicContact CG-CE2 4.43Å; F20-F24 AromaticContact CZ-CE2 3.58Å; F20-F24 HydrophobicContact CZ-CE2 3.58Å; F20-F24 AromaticContact CZ-CZ 3.77Å; F20-F24 HydrophobicContact CZ-CZ 3.77Å; F20-F24 WeakPolarHBondContact O-CD2 3.35Å; F20-L101 HydrophobicContact CE1-CD1 4.02Å; F20-L101 HydrophobicContact CE1-CD2 4.42Å; F20-L103 HydrophobicContact CD1-CD1 4.4Å; F20-L103 HydrophobicContact CD1-CD2 4.36Å; F20-Y112 HydrophobicContact CE1-CD1 4.48Å; F20-Y112 HydrophobicContact CE1-CD2 4.24Å; F20-Y112 HydrophobicContact CE1-CG 4.11Å; F20-Y112 HydrophobicContact CE2-CD1 4.42Å; F20-Y112 HydrophobicContact CE2-CE1 4.13Å; F20-Y112 HydrophobicContact CE2-CE2 4.3Å; F20-Y112 HydrophobicContact CZ-CD1 4.14Å; F20-Y112 AromaticContact CZ-CD2 3.74Å; F20-Y112 HydrophobicContact CZ-CD2 3.74Å; F20-Y112 HydrophobicContact CZ-CE1 4.18Å; F20-Y112 AromaticContact CZ-CE2 3.8Å; F20-Y112 HydrophobicContact CZ-CE2 3.8Å; F20-Y112 AromaticContact CZ-CG 3.91Å; F20-Y112 HydrophobicContact CZ-CG 3.91Å; F20-I114 HydrophobicContact CZ-CD1 4.34Å; F20-L123 HydrophobicContact CB-CD1 3.65Å; F20-L123 HydrophobicContact CB-CD2 3.91Å; F20-L123 HydrophobicContact CB-CG 4.44Å; F20-L123 HydrophobicContact CD2-CD1 3.33Å; F20-L123 HydrophobicContact CE2-CD1 4.07Å; F20-L123 HydrophobicContact CG-CD1 3.6Å
21L97.8Very high92.1Very high0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-60.7-40.9178-69.2172.6000112.1A17 V18 R23 F24 F39 L43 I69 V79 L97 L101 L103A17-L21 PolarHBondContact O-N 3.31Å; A17-L21 VanDerWaalsContact O-N 3.11Å; V18-L21 PolarHBondContact O-N 3.37Å; L21-R23 PolarHBondContact O-N 3.1Å; L21-F24 WeakPolarHBondContact O-CB 3.33Å; L21-F24 PolarHBondContact O-N 2.77Å; L21-F39 HydrophobicContact CB-CE1 4.34Å; L21-L43 HydrophobicContact CD1-CD2 3.71Å; L21-I69 HydrophobicContact CD1-CD1 4.37Å; L21-V79 HydrophobicContact CD1-CG2 4.02Å; L21-L97 HydrophobicContact CD2-CD2 4.3Å; L21-L101 HydrophobicContact CD2-CD2 3.66Å; L21-L103 HydrophobicContact CD1-CD2 4.27Å; L21-L103 HydrophobicContact CG-CD2 4.23Å
22S96.5Very high91.9Very high1 Ų151.2 Ų51.21%0.00727%0.272CS..Hα-helixtrans-65.4-25.4-179.1-62.10000113.5V18 G19 F20 F24 L25 R26 S40V18-S22 VanDerWaalsContact O-CB 3.26Å; V18-S22 WeakPolarHBondContact O-CB 3.4Å; V18-S22 PolarHBondContact O-N 2.74Å; V18-S22 PolarHBondContact O-OG 3.32Å; G19-S22 PolarHBondContact O-N 3.22Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 2.86Å; S22-F24 VanDerWaalsContact C-N 3.34Å; S22-L25 PolarHBondContact O-N 2.87Å; S22-R26 PolarHBondContact O-N 3.45Å; S22-S40 PolarHBondContact OG-OG 2.82Å
23R95.1Very high91.8Very high161 Ų16154.2 Ų54.261%0.60829%0.286SS*.Hα-helixtrans-63.5-40.6174.8-72.4168.3-171.3172.83111.2G19 F20 L21 L25 R26 V27G19-R23 WeakPolarHBondContact O-CG 3.3Å; G19-R23 PolarHBondContact O-N 3.2Å; F20-R23 WeakPolarHBondContact O-CB 3.45Å; F20-R23 PolarHBondContact O-N 3.41Å; L21-R23 PolarHBondContact O-N 3.1Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 2.92Å; R23-R26 PolarHBondContact O-N 2.98Å; R23-V27 WeakPolarHBondContact O-CG2 3.19Å; R23-V27 PolarHBondContact O-N 3.35Å
24F94.8Very high91.7Very high50 Ų5063.5 Ų63.522%0.21932%0.32CS..Hα-helixtrans-62.1-38.3177.8-67.3-74.4000112.6F20 L21 S22 R26 V27 L97 P98 I114F20-F24 HydrophobicContact CD1-CE2 4.14Å; F20-F24 HydrophobicContact CD2-CE2 4.29Å; F20-F24 AromaticContact CE1-CE2 3.71Å; F20-F24 HydrophobicContact CE1-CE2 3.71Å; F20-F24 HydrophobicContact CE1-CZ 4.31Å; F20-F24 AromaticContact CE2-CE2 3.88Å; F20-F24 HydrophobicContact CE2-CE2 3.88Å; F20-F24 HydrophobicContact CE2-CZ 4.06Å; F20-F24 HydrophobicContact CG-CE2 4.43Å; F20-F24 AromaticContact CZ-CE2 3.58Å; F20-F24 HydrophobicContact CZ-CE2 3.58Å; F20-F24 AromaticContact CZ-CZ 3.77Å; F20-F24 HydrophobicContact CZ-CZ 3.77Å; F20-F24 WeakPolarHBondContact O-CD2 3.35Å; L21-F24 WeakPolarHBondContact O-CB 3.33Å; L21-F24 PolarHBondContact O-N 2.77Å; S22-F24 VanDerWaalsContact C-N 3.34Å; F24-R26 VanDerWaalsContact C-N 3.29Å; F24-R26 PolarHBondContact O-N 3.46Å; F24-V27 PolarHBondContact O-N 3.46Å; F24-L97 HydrophobicContact CB-CD2 3.86Å; F24-L97 HydrophobicContact CD2-CD2 4.37Å; F24-L97 HydrophobicContact CG-CD2 4.37Å; F24-P98 HydrophobicContact CD1-CG 4.1Å; F24-P98 HydrophobicContact CE1-CG 3.6Å; F24-P98 HydrophobicContact CE2-CG 4.13Å; F24-P98 HydrophobicContact CZ-CG 3.62Å; F24-I114 HydrophobicContact CZ-CD1 4.21Å
25L92.9Very high91.6Very high0 Ų065.9 Ų65.90%033%0.331CS..Hα-helixtrans-64.6-32.7178.1-57.4-175.2000112.6S22 R23 V31 V36 F39 L88 L93 L96 L97S22-L25 PolarHBondContact O-N 2.87Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 2.92Å; L25-V31 HydrophobicContact CB-CB 4.47Å; L25-V31 HydrophobicContact CB-CG2 4.31Å; L25-V36 HydrophobicContact CB-CG2 4.34Å; L25-F39 HydrophobicContact CD1-CB 4.27Å; L25-F39 HydrophobicContact CD1-CD1 3.49Å; L25-F39 VanDerWaalsContact CD1-CD1 3.49Å; L25-F39 HydrophobicContact CD1-CD2 3.85Å; L25-F39 HydrophobicContact CD1-CE1 3.68Å; L25-F39 HydrophobicContact CD1-CE2 4.02Å; L25-F39 HydrophobicContact CD1-CG 3.58Å; L25-F39 HydrophobicContact CD1-CZ 3.94Å; L25-L88 HydrophobicContact CD2-CD1 4.45Å; L25-L93 HydrophobicContact CD2-CD2 4.38Å; L25-L96 HydrophobicContact CD2-CB 4.01Å; L25-L96 HydrophobicContact CD2-CD1 3.95Å; L25-L97 HydrophobicContact CD2-CD2 4.36Å
26R88.6Confident91.5Very high113 Ų11362.9 Ų62.943%0.42632%0.315SS..Hα-helixtrans-75.4-41.8178-68.3-177.2-137.8-94.90.6113S22 R23 F24 K28 G29 D33 V36S22-R26 PolarHBondContact O-N 3.45Å; R23-R26 PolarHBondContact O-N 2.98Å; F24-R26 VanDerWaalsContact C-N 3.29Å; F24-R26 PolarHBondContact O-N 3.46Å; R26-K28 PolarHBondContact O-N 3.31Å; R26-K28 VanDerWaalsContact O-N 3.14Å; R26-G29 PolarHBondContact O-N 3.37Å; R26-G29 VanDerWaalsContact O-N 3.09Å; R26-D33 IonicContact NH1-OD1 2.65Å; R26-D33 PolarHBondContact NH1-OD1 3.31Å; R26-D33 VanDerWaalsContact NH1-OD1 3.1Å; R26-V36 HydrophobicContact CG-CG1 4.3Å; R26-V36 HydrophobicContact CG-CG2 3.88Å; R26-V36 VanDerWaalsContact NH2-CG1 3.26Å
27V83.2Confident91.4Very high122 Ų12268.4 Ų68.474%0.73934%0.337SS*.Hα-helixtrans-58.3-34.2-168.6167.70000112.7R23 F24R23-V27 WeakPolarHBondContact O-CG2 3.19Å; R23-V27 PolarHBondContact O-N 3.35Å; F24-V27 PolarHBondContact O-N 3.46Å
28K73.3Confident91.4Very high124 Ų12471.5 Ų71.554%0.53936%0.356SS..THydrogen-bonded Turntrans-91.53.6-176.9-62.2-146.8179.8172.30114.8R26 H30 L95 L96R26-K28 PolarHBondContact O-N 3.31Å; R26-K28 VanDerWaalsContact O-N 3.14Å; K28-H30 PolarHBondContact O-CE1 2.93Å; K28-H30 PolarHBondContact O-N 3.37Å; K28-H30 VanDerWaalsContact O-N 3.14Å; K28-H30 PolarHBondContact O-ND1 3.38Å; K28-L95 PolarHBondContact NZ-O 3.11Å; K28-L96 HydrophobicContact CB-CD2 3.7Å; K28-L96 HydrophobicContact CD-CD2 4.48Å; K28-L96 HydrophobicContact CG-CD2 4.37Å
29G64.5Low91.4Very high67 Ų6771.5 Ų71.569%0.69136%0.356SS*.SBendtrans70.56.6168.900000116.9R26R26-G29 PolarHBondContact O-N 3.37Å; R26-G29 VanDerWaalsContact O-N 3.09Å
30H76.6Confident91.4Very high151 Ų15171 Ų7170%0.69935%0.348SS*.SBendtrans-92-6.4-179.4-70.664.2000113.5K28 L96K28-H30 PolarHBondContact O-CE1 2.93Å; K28-H30 PolarHBondContact O-N 3.37Å; K28-H30 VanDerWaalsContact O-N 3.14Å; K28-H30 PolarHBondContact O-ND1 3.38Å; H30-L96 HydrophobicContact CB-CD2 4.42Å
31V90.4Very high91.4Very high11 Ų1174.9 Ų74.97%0.06737%0.367CS..SBendtrans-128.9122.4-174.2-169.10000109L25 Q35 V36 I86 L88 L96L25-V31 HydrophobicContact CB-CB 4.47Å; L25-V31 HydrophobicContact CB-CG2 4.31Å; V31-Q35 HydrophobicContact CG1-CB 3.43Å; V31-Q35 VanDerWaalsContact CG1-CB 3.43Å; V31-Q35 HydrophobicContact CG1-CG 4.44Å; V31-V36 HydrophobicContact CB-CG2 4.12Å; V31-V36 HydrophobicContact CG1-CG2 3.58Å; V31-I86 HydrophobicContact CG1-CD1 3.84Å; V31-L88 HydrophobicContact CG2-CD1 4.11Å; V31-L88 HydrophobicContact CG2-CD2 4.46Å; V31-L96 HydrophobicContact CG2-CD1 4.05Å
32N92.4Very high91.5Very high88 Ų8875.1 Ų75.147%0.47137%0.368SS..  trans-79.7165179.367.353.6000112.3R34 Q35 V36N32-R34 VanDerWaalsContact C-N 3.28Å; N32-R34 PolarHBondContact O-N 3.33Å; N32-R34 WeakPolarHBondContact OD1-CB 3.42Å; N32-R34 PolarHBondContact OD1-N 3.05Å; N32-Q35 VanDerWaalsContact N-OE1 3.08Å; N32-Q35 PolarHBondContact ND2-OE1 3.36Å; N32-Q35 WeakPolarHBondContact O-CB 3.45Å; N32-Q35 PolarHBondContact O-N 3.45Å; N32-Q35 VanDerWaalsContact O-N 3.09Å; N32-Q35 PolarHBondContact OD1-N 3.3Å; N32-V36 WeakPolarHBondContact O-CG2 3.49Å; N32-V36 PolarHBondContact O-N 2.87Å
33D93.3Very high91.6Very high115 Ų11575.1 Ų75.162%0.61537%0.368SS*.Hα-helixtrans-59.8-35.7-175.1-76.5-38.6000114R26 V36 Q37R26-D33 IonicContact NH1-OD1 2.65Å; R26-D33 PolarHBondContact NH1-OD1 3.31Å; R26-D33 VanDerWaalsContact NH1-OD1 3.1Å; D33-V36 PolarHBondContact O-N 3.08Å; D33-Q37 WeakPolarHBondContact O-CB 3.49Å; D33-Q37 PolarHBondContact O-N 3.5Å
34R95.8Very high91.7Very high198 Ų19869.6 Ų69.675%0.74735%0.349SS*.Hα-helixtrans-64.5-45.5176.2-176.2-178.6176.6-173.4-0.2110.8N32 Q37 T38N32-R34 VanDerWaalsContact C-N 3.28Å; N32-R34 PolarHBondContact O-N 3.33Å; N32-R34 WeakPolarHBondContact OD1-CB 3.42Å; N32-R34 PolarHBondContact OD1-N 3.05Å; R34-Q37 PolarHBondContact O-N 3.16Å; R34-T38 PolarHBondContact O-N 3.37Å; R34-T38 PolarHBondContact O-OG1 2.89Å; R34-T38 VanDerWaalsContact O-OG1 3.1Å
35Q96.8Very high91.9Very high53 Ų5371.2 Ų71.225%0.24836%0.36CS..Hα-helixtrans-60.8-44.9174.2-73.9174.4-63.400110.8V31 N32 Q37 T38 F39 I86V31-Q35 HydrophobicContact CG1-CB 3.43Å; V31-Q35 VanDerWaalsContact CG1-CB 3.43Å; V31-Q35 HydrophobicContact CG1-CG 4.44Å; N32-Q35 VanDerWaalsContact N-OE1 3.08Å; N32-Q35 PolarHBondContact ND2-OE1 3.36Å; N32-Q35 WeakPolarHBondContact O-CB 3.45Å; N32-Q35 PolarHBondContact O-N 3.45Å; N32-Q35 VanDerWaalsContact O-N 3.09Å; N32-Q35 PolarHBondContact OD1-N 3.3Å; Q35-Q37 VanDerWaalsContact C-N 3.3Å; Q35-Q37 PolarHBondContact O-N 3.18Å; Q35-T38 PolarHBondContact O-N 2.75Å; Q35-F39 WeakPolarHBondContact O-CB 3.43Å; Q35-F39 PolarHBondContact O-N 3.02Å; Q35-I86 HydrophobicContact CB-CB 4.16Å; Q35-I86 HydrophobicContact CB-CD1 4.2Å; Q35-I86 HydrophobicContact CB-CG2 4.43Å; Q35-I86 HydrophobicContact CG-CB 4.33Å; Q35-I86 PolarHBondContact NE2-O 3.17Å; Q35-I86 VanDerWaalsContact O-CG2 3.3Å; Q35-I86 WeakPolarHBondContact O-CG2 3.38Å
36V96.9Very high92.2Very high0 Ų072.1 Ų72.10%037%0.365CS..Hα-helixtrans-63.7-37.7178.5-176.50000111.7L25 R26 V31 N32 D33 F39 S40L25-V36 HydrophobicContact CB-CG2 4.34Å; R26-V36 HydrophobicContact CG-CG1 4.3Å; R26-V36 HydrophobicContact CG-CG2 3.88Å; R26-V36 VanDerWaalsContact NH2-CG1 3.26Å; V31-V36 HydrophobicContact CB-CG2 4.12Å; V31-V36 HydrophobicContact CG1-CG2 3.58Å; N32-V36 WeakPolarHBondContact O-CG2 3.49Å; N32-V36 PolarHBondContact O-N 2.87Å; D33-V36 PolarHBondContact O-N 3.08Å; V36-F39 PolarHBondContact O-N 2.9Å; V36-S40 WeakPolarHBondContact O-CB 3.48Å; V36-S40 PolarHBondContact O-N 3.24Å; V36-S40 PolarHBondContact O-OG 3Å
37Q97.6Very high92.7Very high138 Ų13866.8 Ų66.865%0.64535%0.345SS*.Hα-helixtrans-63.5-45.1173.9-173.9-179.75.300111.5D33 R34 Q35 S40 Q41D33-Q37 WeakPolarHBondContact O-CB 3.49Å; D33-Q37 PolarHBondContact O-N 3.5Å; R34-Q37 PolarHBondContact O-N 3.16Å; Q35-Q37 VanDerWaalsContact C-N 3.3Å; Q35-Q37 PolarHBondContact O-N 3.18Å; Q37-S40 PolarHBondContact O-N 2.93Å; Q37-Q41 PolarHBondContact O-N 3.27Å
38T98.3Very high93.3Very high65 Ų6563 Ų6340%0.39933%0.326SS..Hα-helixtrans-62.5-43.2175.9-60.90000111.9R34 Q35 S40 S42 I86R34-T38 PolarHBondContact O-N 3.37Å; R34-T38 PolarHBondContact O-OG1 2.89Å; R34-T38 VanDerWaalsContact O-OG1 3.1Å; Q35-T38 PolarHBondContact O-N 2.75Å; T38-S40 VanDerWaalsContact C-N 3.34Å; T38-S42 WeakPolarHBondContact O-CB 3.39Å; T38-S42 PolarHBondContact O-N 3.38Å; T38-I86 HydrophobicContact CG2-CG2 3.74Å
39F98.4Very high94.5Very high0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-58.7-47.6173.4171.9-93.2000110.9L21 L25 Q35 V36 S42 L43 V79 A82 I86L21-F39 HydrophobicContact CB-CE1 4.34Å; L25-F39 HydrophobicContact CD1-CB 4.27Å; L25-F39 HydrophobicContact CD1-CD1 3.49Å; L25-F39 VanDerWaalsContact CD1-CD1 3.49Å; L25-F39 HydrophobicContact CD1-CD2 3.85Å; L25-F39 HydrophobicContact CD1-CE1 3.68Å; L25-F39 HydrophobicContact CD1-CE2 4.02Å; L25-F39 HydrophobicContact CD1-CG 3.58Å; L25-F39 HydrophobicContact CD1-CZ 3.94Å; Q35-F39 WeakPolarHBondContact O-CB 3.43Å; Q35-F39 PolarHBondContact O-N 3.02Å; V36-F39 PolarHBondContact O-N 2.9Å; F39-S42 PolarHBondContact O-N 3.33Å; F39-L43 HydrophobicContact CE1-CD2 3.99Å; F39-L43 HydrophobicContact CZ-CD2 3.74Å; F39-L43 WeakPolarHBondContact O-CB 3.09Å; F39-L43 PolarHBondContact O-N 3.49Å; F39-V79 HydrophobicContact CE2-CG1 4.45Å; F39-V79 HydrophobicContact CZ-CG1 4.35Å; F39-A82 HydrophobicContact CD2-CB 3.77Å; F39-A82 HydrophobicContact CE2-CB 3.71Å; F39-I86 HydrophobicContact CB-CD1 3.99Å; F39-I86 HydrophobicContact CB-CG1 4.46Å; F39-I86 HydrophobicContact CB-CG2 4.05Å; F39-I86 HydrophobicContact CD2-CD1 4.48Å
40S98.4Very high96.1Very high18 Ų1863 Ų6313%0.12631%0.31CS..Hα-helixtrans-60.2-52.4-178.4-59.10000111.2S22 V36 Q37 T38 S42 L43 Q44S22-S40 PolarHBondContact OG-OG 2.82Å; V36-S40 WeakPolarHBondContact O-CB 3.48Å; V36-S40 PolarHBondContact O-N 3.24Å; V36-S40 PolarHBondContact O-OG 3Å; Q37-S40 PolarHBondContact O-N 2.93Å; T38-S40 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.03Å; S40-L43 PolarHBondContact O-N 3.1Å; S40-Q44 WeakPolarHBondContact O-CB 3.16Å; S40-Q44 VanDerWaalsContact O-CG 3.22Å; S40-Q44 WeakPolarHBondContact O-CG 3.29Å; S40-Q44 PolarHBondContact O-N 3.49Å
41Q98.6Very high97.1Very high98 Ų9855.8 Ų55.846%0.45828%0.277SS..Hα-helixtrans-61.5-46179.6-173.661.557.900111.1Q37 L43 Q44 D45Q37-Q41 PolarHBondContact O-N 3.27Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-L43 PolarHBondContact O-N 2.99Å; Q41-Q44 PolarHBondContact O-N 2.81Å; Q41-D45 PolarHBondContact NE2-OD1 2.88Å; Q41-D45 VanDerWaalsContact O-CG 3.23Å; Q41-D45 PolarHBondContact O-N 2.89Å
42S98.6Very high97.3Very high5 Ų560.6 Ų60.64%0.03530%0.297CS..Hα-helixtrans-57.5-47.5178.4178.40000112.2T38 F39 S40 D45 I46 R85T38-S42 WeakPolarHBondContact O-CB 3.39Å; T38-S42 PolarHBondContact O-N 3.38Å; F39-S42 PolarHBondContact O-N 3.33Å; S40-S42 PolarHBondContact O-N 3.03Å; S42-D45 PolarHBondContact O-N 3.33Å; S42-I46 WeakPolarHBondContact O-CD1 3.37Å; S42-I46 WeakPolarHBondContact O-CG1 3.17Å; S42-I46 PolarHBondContact O-N 3.41Å; S42-I46 VanDerWaalsContact O-N 3.1Å; S42-R85 WeakPolarHBondContact OG-CD 3.13Å; S42-R85 PolarHBondContact OG-NE 2.92Å; S42-R85 PolarHBondContact OG-NH1 3.36Å
43L98.8Very high97.4Very high0 Ų062.9 Ų62.90%030%0.304CS..Hα-helixtrans-70-38.2-177.6-171.857.1000111V18 L21 F39 S40 Q41 D45 I46 L47 L78 V79 A82V18-L43 HydrophobicContact CG1-CB 4.39Å; V18-L43 HydrophobicContact CG2-CB 4.08Å; V18-L43 HydrophobicContact CG2-CD2 3.96Å; V18-L43 HydrophobicContact CG2-CG 3.83Å; L21-L43 HydrophobicContact CD1-CD2 3.71Å; F39-L43 HydrophobicContact CE1-CD2 3.99Å; F39-L43 HydrophobicContact CZ-CD2 3.74Å; F39-L43 WeakPolarHBondContact O-CB 3.09Å; F39-L43 PolarHBondContact O-N 3.49Å; S40-L43 PolarHBondContact O-N 3.1Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-L43 PolarHBondContact O-N 2.99Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.13Å; L43-I46 PolarHBondContact O-N 3.4Å; L43-L47 HydrophobicContact CD1-CD1 4.27Å; L43-L47 HydrophobicContact CD1-CD2 4.23Å; L43-L47 HydrophobicContact CD1-CG 3.98Å; L43-L47 HydrophobicContact CG-CD1 3.99Å; L43-L47 HydrophobicContact CG-CG 4.15Å; L43-L47 WeakPolarHBondContact O-CB 3.25Å; L43-L47 VanDerWaalsContact O-CG 3.22Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.43Å; L43-L78 HydrophobicContact CD1-CB 4.27Å; L43-V79 HydrophobicContact CD1-CG2 4.5Å; L43-V79 HydrophobicContact CD2-CG2 4.37Å; L43-A82 HydrophobicContact CB-CB 3.84Å; L43-A82 HydrophobicContact CD1-CB 4.13Å; L43-A82 HydrophobicContact CG-CB 4.47Å
44Q98.7Very high97.6Very high46 Ų4660.6 Ų60.622%0.21529%0.29CS..Hα-helixtrans-55.8-47.9173.7-73.4169.45.900111.7I14 N15 V18 S40 Q41 L47 A48I14-Q44 HydrophobicContact CG2-CB 4.14Å; I14-Q44 HydrophobicContact CG2-CG 3.96Å; N15-Q44 PolarHBondContact OD1-NE2 3.06Å; V18-Q44 HydrophobicContact CB-CG 4.16Å; V18-Q44 HydrophobicContact CG1-CG 4.14Å; V18-Q44 HydrophobicContact CG2-CG 3.9Å; S40-Q44 WeakPolarHBondContact O-CB 3.16Å; S40-Q44 VanDerWaalsContact O-CG 3.22Å; S40-Q44 WeakPolarHBondContact O-CG 3.29Å; S40-Q44 PolarHBondContact O-N 3.49Å; Q41-Q44 PolarHBondContact O-N 2.81Å; Q44-L47 PolarHBondContact O-N 3.44Å; Q44-A48 VanDerWaalsContact O-CB 3.27Å; Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 2.86Å
45D98.4Very high97.6Very high83 Ų8352.5 Ų52.544%0.44426%0.259SS..Hα-helixtrans-65.2-43.6-179.2-61-22.1000111.6Q41 S42 L43 A48 E49Q41-D45 PolarHBondContact NE2-OD1 2.88Å; Q41-D45 VanDerWaalsContact O-CG 3.23Å; Q41-D45 PolarHBondContact O-N 2.89Å; S42-D45 PolarHBondContact O-N 3.33Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.13Å; D45-A48 PolarHBondContact O-N 2.9Å; D45-E49 PolarHBondContact O-N 2.8Å; D45-E49 VanDerWaalsContact O-N 3.11Å
46I98.6Very high97.5Very high20 Ų2052.9 Ų52.910%0.10326%0.26CS..Hα-helixtrans-62.4-46.8178.5-68.3163.2000110.8S42 L43 E49 Q50 L78 Q81 A82S42-I46 WeakPolarHBondContact O-CD1 3.37Å; S42-I46 WeakPolarHBondContact O-CG1 3.17Å; S42-I46 PolarHBondContact O-N 3.41Å; S42-I46 VanDerWaalsContact O-N 3.1Å; L43-I46 PolarHBondContact O-N 3.4Å; I46-E49 PolarHBondContact O-N 2.87Å; I46-Q50 WeakPolarHBondContact O-CB 3.29Å; I46-Q50 PolarHBondContact O-N 2.82Å; I46-L78 HydrophobicContact CG2-CB 3.77Å; I46-L78 HydrophobicContact CG2-CD1 4.21Å; I46-L78 HydrophobicContact CG2-CD2 3.66Å; I46-L78 HydrophobicContact CG2-CG 4.06Å; I46-Q81 HydrophobicContact CD1-CB 4.26Å; I46-Q81 HydrophobicContact CD1-CG 4Å; I46-A82 HydrophobicContact CD1-CB 4.36Å
47L98.6Very high97.3Very high0 Ų053.6 Ų53.60%027%0.265CS..Hα-helixtrans-66.8-40.6179.8-66-178.4000111.6I14 V18 L43 Q44 E49 Q50 Y51 I69 L78I14-L47 HydrophobicContact CD1-CB 4Å; I14-L47 HydrophobicContact CG1-CB 4.22Å; I14-L47 HydrophobicContact CG2-CB 4.21Å; I14-L47 HydrophobicContact CG2-CD1 4.25Å; V18-L47 HydrophobicContact CG2-CD1 3.92Å; L43-L47 HydrophobicContact CD1-CD1 4.27Å; L43-L47 HydrophobicContact CD1-CD2 4.23Å; L43-L47 HydrophobicContact CD1-CG 3.98Å; L43-L47 HydrophobicContact CG-CD1 3.99Å; L43-L47 HydrophobicContact CG-CG 4.15Å; L43-L47 WeakPolarHBondContact O-CB 3.25Å; L43-L47 VanDerWaalsContact O-CG 3.22Å; L43-L47 WeakPolarHBondContact O-CG 3.49Å; L43-L47 PolarHBondContact O-N 3.43Å; Q44-L47 PolarHBondContact O-N 3.44Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-E49 PolarHBondContact O-N 3.22Å; L47-Q50 PolarHBondContact O-N 2.91Å; L47-Y51 HydrophobicContact CB-CD2 4.47Å; L47-Y51 HydrophobicContact CB-CE2 4.1Å; L47-Y51 HydrophobicContact CD2-CE1 4.18Å; L47-Y51 HydrophobicContact CD2-CE2 4.43Å; L47-Y51 WeakPolarHBondContact O-CB 3.18Å; L47-Y51 PolarHBondContact O-N 3.1Å; L47-I69 HydrophobicContact CD1-CD1 3.94Å; L47-I69 HydrophobicContact CD2-CD1 4.06Å; L47-I69 HydrophobicContact CD2-CG1 4.47Å; L47-L78 HydrophobicContact CD2-CB 4.37Å; L47-L78 HydrophobicContact CD2-CD1 3.67Å
48A97.6Very high96.9Very high42 Ų4252 Ų5235%0.34726%0.261SS..Hα-helixtrans-61.1-42.8178.600000111.7M10 I14 Q44 D45 K52M10-A48 HydrophobicContact SD-CB 4.47Å; I14-A48 HydrophobicContact CD1-CB 4.1Å; Q44-A48 VanDerWaalsContact O-CB 3.27Å; Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 2.86Å; D45-A48 PolarHBondContact O-N 2.9Å; A48-K52 PolarHBondContact O-N 2.82Å
49E97.9Very high96.6Very high118 Ų11855.9 Ų55.955%0.55127%0.272SS*.Hα-helixtrans-69.4-43.8176-170.858.2-151.900111.6D45 I46 L47 Y51 K52D45-E49 PolarHBondContact O-N 2.8Å; D45-E49 VanDerWaalsContact O-N 3.11Å; I46-E49 PolarHBondContact O-N 2.87Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-E49 PolarHBondContact O-N 3.22Å; E49-Y51 VanDerWaalsContact C-N 3.33Å; E49-Y51 PolarHBondContact O-N 3.12Å; E49-K52 WeakPolarHBondContact O-CB 3.17Å; E49-K52 PolarHBondContact O-N 3.12Å; E49-K52 IonicContact OE1-NZ 3.22Å; E49-K52 IonicContact OE2-NZ 3.59Å
50Q97.8Very high96.4Very high73 Ų7356.5 Ų56.534%0.34128%0.276SS..Hα-helixtrans-59.5-42.5179-173.877.4-33.200112I46 L47 Y66 L78I46-Q50 WeakPolarHBondContact O-CB 3.29Å; I46-Q50 PolarHBondContact O-N 2.82Å; L47-Q50 PolarHBondContact O-N 2.91Å; Q50-Y66 HydrophobicContact CG-CE1 3.94Å; Q50-Y66 WeakPolarHBondContact O-CE1 3.3Å; Q50-Y66 PolarHBondContact O-OH 2.88Å; Q50-Y66 PolarHBondContact OE1-OH 2.85Å; Q50-L78 HydrophobicContact CB-CD1 4.15Å; Q50-L78 HydrophobicContact CG-CD1 3.83Å
51Y97.8Very high96.2Very high1 Ų157.2 Ų57.20%0.00428%0.281CS..Hα-helixtrans-85.3-11.9-173-61.4-7.9000113.6I14 L47 E49 H53 H54 W55 R67 V105I14-Y51 HydrophobicContact CD1-CD2 4.04Å; I14-Y51 HydrophobicContact CD1-CE2 4.46Å; I14-Y51 HydrophobicContact CG1-CD2 4.15Å; I14-Y51 HydrophobicContact CG1-CE2 4.16Å; L47-Y51 HydrophobicContact CB-CD2 4.47Å; L47-Y51 HydrophobicContact CB-CE2 4.1Å; L47-Y51 HydrophobicContact CD2-CE1 4.18Å; L47-Y51 HydrophobicContact CD2-CE2 4.43Å; L47-Y51 WeakPolarHBondContact O-CB 3.18Å; L47-Y51 PolarHBondContact O-N 3.1Å; E49-Y51 VanDerWaalsContact C-N 3.33Å; E49-Y51 PolarHBondContact O-N 3.12Å; Y51-H53 PolarHBondContact O-N 2.82Å; Y51-H54 CarbonylContact O-C 3.3Å; Y51-H54 VanDerWaalsContact O-C 3.3Å; Y51-H54 WeakPolarHBondContact O-CA 3.32Å; Y51-H54 PolarHBondContact O-N 2.89Å; Y51-W55 HydrophobicContact CD2-CE3 4.36Å; Y51-W55 HydrophobicContact CD2-CZ3 4.24Å; Y51-W55 PolarHBondContact O-N 3.06Å; Y51-W55 VanDerWaalsContact O-N 3.13Å; Y51-R67 HydrophobicContact CD1-CB 3.98Å; Y51-R67 HydrophobicContact CD1-CG 3.59Å; Y51-R67 HydrophobicContact CD2-CG 4.33Å; Y51-R67 VanDerWaalsContact CE1-CA 3.48Å; Y51-R67 HydrophobicContact CE1-CB 3.6Å; Y51-R67 HydrophobicContact CE1-CG 3.79Å; Y51-R67 HydrophobicContact CE2-CB 4.24Å; Y51-R67 HydrophobicContact CE2-CG 4.49Å; Y51-R67 HydrophobicContact CG-CB 4.45Å; Y51-R67 HydrophobicContact CG-CG 3.89Å; Y51-R67 PolarHBondContact OH-O 2.88Å; Y51-V105 HydrophobicContact CE2-CB 3.96Å; Y51-V105 HydrophobicContact CE2-CG1 3.92Å
52K94.4Very high96.1Very high112 Ų11258 Ų5849%0.48728%0.283SS..THydrogen-bonded Turntrans-46.5-40.6-173.6-175.5179.8179.3179.70115A48 E49A48-K52 PolarHBondContact O-N 2.82Å; E49-K52 WeakPolarHBondContact O-CB 3.17Å; E49-K52 PolarHBondContact O-N 3.12Å; E49-K52 IonicContact OE1-NZ 3.22Å; E49-K52 IonicContact OE2-NZ 3.59Å
53H95.3Very high96Very high136 Ų13659 Ų5963%0.6329%0.294SS*.THydrogen-bonded Turntrans-102.51.2-179.7-61-59.2000114Y51Y51-H53 PolarHBondContact O-N 2.82Å
54H96.9Very high96Very high66 Ų6659.5 Ų59.531%0.30630%0.297SS..SBendtrans-124.327.9-176.9-60.392.5000111.1Y51 Y66 R67Y51-H54 CarbonylContact O-C 3.3Å; Y51-H54 VanDerWaalsContact O-C 3.3Å; Y51-H54 WeakPolarHBondContact O-CA 3.32Å; Y51-H54 PolarHBondContact O-N 2.89Å; H54-Y66 HydrophobicContact CB-CD1 3.59Å; H54-Y66 HydrophobicContact CB-CE1 3.78Å; H54-Y66 HydrophobicContact CB-CG 4.46Å; H54-Y66 AromaticContact CD2-CD1 3.96Å; H54-Y66 AromaticContact CE1-CE1 3.82Å; H54-Y66 AromaticContact CE1-CE2 3.96Å; H54-Y66 AromaticContact CE1-CZ 3.57Å; H54-Y66 AromaticContact CG-CD1 3.5Å; H54-Y66 VanDerWaalsContact CG-CD1 3.5Å; H54-Y66 AromaticContact CG-CE1 3.44Å; H54-Y66 VanDerWaalsContact CG-CE1 3.44Å; H54-Y66 AromaticContact ND1-CD1 3.8Å; H54-Y66 AromaticContact ND1-CE1 3.22Å; H54-Y66 WeakPolarHBondContact ND1-CE1 3.37Å; H54-Y66 AromaticContact ND1-CZ 3.44Å; H54-R67 WeakPolarHBondContact O-CD 3.47Å; H54-R67 PolarHBondContact O-NH1 3.48Å
55W96.1Very high95.9Very high28 Ų2860.5 Ų60.511%0.10632%0.32CS..  trans-114.4112.5178.6-165.4-101.7000110.3G8 M10 E13 Y51 R67 V105 D106 P107G8-W55 PolarHBondContact O-NE1 3.47Å; G8-W55 VanDerWaalsContact O-NE1 3.15Å; M10-W55 VanDerWaalsContact CA-CZ2 3.47Å; M10-W55 HydrophobicContact CB-CD2 3.62Å; M10-W55 VanDerWaalsContact CB-CE2 3.41Å; M10-W55 HydrophobicContact CB-CE3 3.91Å; M10-W55 HydrophobicContact CB-CG 4.21Å; M10-W55 HydrophobicContact CB-CH2 3.86Å; M10-W55 HydrophobicContact CB-CZ2 3.53Å; M10-W55 HydrophobicContact CB-CZ3 4.03Å; M10-W55 HydrophobicContact CE-CB 3.77Å; M10-W55 HydrophobicContact CE-CD2 4.33Å; M10-W55 HydrophobicContact CE-CG 3.89Å; E13-W55 HydrophobicContact CB-CH2 3.91Å; E13-W55 HydrophobicContact CB-CZ2 4.44Å; E13-W55 HydrophobicContact CG-CH2 4.07Å; E13-W55 HydrophobicContact CG-CZ2 4.25Å; Y51-W55 HydrophobicContact CD2-CE3 4.36Å; Y51-W55 HydrophobicContact CD2-CZ3 4.24Å; Y51-W55 PolarHBondContact O-N 3.06Å; Y51-W55 VanDerWaalsContact O-N 3.13Å; W55-R67 VanDerWaalsContact CE3-CD 3.49Å; W55-V105 HydrophobicContact CZ3-CG1 4.47Å; W55-V105 WeakPolarHBondContact CZ3-O 3.4Å; W55-D106 VanDerWaalsContact CH2-C 3.41Å; W55-P107 HydrophobicContact CD2-CG 3.88Å; W55-P107 HydrophobicContact CE3-CG 4.31Å; W55-P107 HydrophobicContact CG-CG 4.39Å; W55-P107 HydrophobicContact CH2-CG 4.2Å; W55-P107 HydrophobicContact CZ2-CB 3.88Å; W55-P107 HydrophobicContact CZ2-CG 3.77Å; W55-P107 HydrophobicContact CZ3-CG 4.45Å
56F94.1Very high95.9Very high61 Ų6161.2 Ų61.227%0.26832%0.317SS..  trans-126.584.9-173.9-51.4-80.7000110.6D58 K59 K62F56-D58 PolarHBondContact O-N 3.37Å; F56-K59 HydrophobicContact CB-CB 4.45Å; F56-K59 CarbonylContact O-C 2.97Å; F56-K59 WeakPolarHBondContact O-CA 3.48Å; F56-K59 PolarHBondContact O-N 2.95Å; F56-K59 VanDerWaalsContact O-O 3.09Å; F56-K62 HydrophobicContact CB-CB 4.37Å; F56-K62 HydrophobicContact CD1-CD 4.21Å; F56-K62 HydrophobicContact CD2-CB 3.87Å; F56-K62 HydrophobicContact CD2-CD 3.77Å; F56-K62 HydrophobicContact CD2-CG 3.71Å; F56-K62 WeakPolarHBondContact CD2-O 3.26Å; F56-K62 HydrophobicContact CE1-CD 4.38Å; F56-K62 HydrophobicContact CE2-CD 3.94Å; F56-K62 HydrophobicContact CE2-CG 3.91Å; F56-K62 HydrophobicContact CG-CB 4.32Å; F56-K62 HydrophobicContact CG-CD 3.91Å; F56-K62 HydrophobicContact CG-CG 4.29Å; F56-K62 HydrophobicContact CZ-CD 4.26Å
57P91.9Very high95.9Very high15 Ų1560.3 Ų60.310%0.09731%0.312CS..THydrogen-bonded Turntrans-55.6-35.4179.4-28.136.7000114.1K59 P60 P107 F108P57-K59 PolarHBondContact O-N 3.44Å; P57-P60 WeakPolarHBondContact O-CD 3.46Å; P57-P60 WeakPolarHBondContact O-CG 3.18Å; P57-P107 HydrophobicContact CB-CB 4.37Å; P57-F108 HydrophobicContact CB-CE2 4.02Å; P57-F108 HydrophobicContact CB-CZ 3.93Å; P57-F108 WeakPolarHBondContact O-CE2 3.39Å
58D90.3Very high95.9Very high106 Ų10661.6 Ų61.657%0.56732%0.321SS*.THydrogen-bonded Turntrans-70.1-16.5177.1-55-47.8000113.6C5 F56C5-D58 VanDerWaalsContact CB-OD1 3.3Å; C5-D58 WeakPolarHBondContact CB-OD1 3.33Å; F56-D58 PolarHBondContact O-N 3.37Å
59K92.7Very high96Very high145 Ų14559.6 Ų59.663%0.6330%0.304SS*.SBendtrans-143.672.6178.8-63.6-173.7-178.9-175.30109.5F56 P57 C61 K62F56-K59 HydrophobicContact CB-CB 4.45Å; F56-K59 CarbonylContact O-C 2.97Å; F56-K59 WeakPolarHBondContact O-CA 3.48Å; F56-K59 PolarHBondContact O-N 2.95Å; F56-K59 VanDerWaalsContact O-O 3.09Å; P57-K59 PolarHBondContact O-N 3.44Å; K59-C61 PolarHBondContact O-N 3.25Å; K59-C61 VanDerWaalsContact O-N 3.09Å; K59-K62 HydrophobicContact CB-CB 3.96Å; K59-K62 VanDerWaalsContact O-CB 3.23Å; K59-K62 WeakPolarHBondContact O-CB 3.18Å; K59-K62 PolarHBondContact O-N 2.96Å
60P93.6Very high96Very high13 Ų1360.3 Ų60.38%0.08430%0.302CS..THydrogen-bonded Turntrans-55.6-36.4-168-31.239.3000114.5P57 K62 R67 P107 F108P57-P60 WeakPolarHBondContact O-CD 3.46Å; P57-P60 WeakPolarHBondContact O-CG 3.18Å; P60-K62 VanDerWaalsContact C-N 3.26Å; P60-K62 PolarHBondContact O-N 3.32Å; P60-R67 PolarHBondContact O-NH2 2.83Å; P60-P107 HydrophobicContact CB-CB 4.08Å; P60-P107 HydrophobicContact CB-CG 4.19Å; P60-P107 HydrophobicContact CG-CB 4.19Å; P60-F108 HydrophobicContact CG-CD2 4.13Å; P60-F108 HydrophobicContact CG-CE2 4.49Å
61C93.8Very high96Very high33 Ų3356.9 Ų56.922%0.22329%0.286CS..THydrogen-bonded Turntrans-70.8-20.5179.9-49.50000113.6K59 G63 S64 C156K59-C61 PolarHBondContact O-N 3.25Å; K59-C61 VanDerWaalsContact O-N 3.09Å; C61-G63 PolarHBondContact O-N 3.42Å; C61-G63 VanDerWaalsContact O-N 3.13Å; C61-S64 VanDerWaalsContact O-CB 3.3Å; C61-S64 WeakPolarHBondContact O-CB 3.19Å; C61-S64 PolarHBondContact O-N 2.85Å; C61-C156 WeakPolarHBondContact CA-SG 3.23Å; C61-C156 HydrophobicContact CB-CB 3.84Å; C61-C156 WeakPolarHBondContact CB-SG 3.5Å; C61-C156 PolarHBondContact N-SG 2.89Å; C61-C156 VanDerWaalsContact N-SG 3.43Å; C61-C156 WeakPolarHBondContact SG-CA 3.32Å; C61-C156 WeakPolarHBondContact SG-CB 3.3Å; C61-C156 CovalentContact SG-SG 2.04Å; C61-C156 PolarHBondContact SG-SG 3.36Å
62K96.1Very high95.9Very high116 Ų11657.8 Ų57.850%0.50429%0.291SS..THydrogen-bonded Turntrans-62.9120.3176.1-172.7-179.4176.8-173.20109F56 K59 P60 S64 R67F56-K62 HydrophobicContact CB-CB 4.37Å; F56-K62 HydrophobicContact CD1-CD 4.21Å; F56-K62 HydrophobicContact CD2-CB 3.87Å; F56-K62 HydrophobicContact CD2-CD 3.77Å; F56-K62 HydrophobicContact CD2-CG 3.71Å; F56-K62 WeakPolarHBondContact CD2-O 3.26Å; F56-K62 HydrophobicContact CE1-CD 4.38Å; F56-K62 HydrophobicContact CE2-CD 3.94Å; F56-K62 HydrophobicContact CE2-CG 3.91Å; F56-K62 HydrophobicContact CG-CB 4.32Å; F56-K62 HydrophobicContact CG-CD 3.91Å; F56-K62 HydrophobicContact CG-CG 4.29Å; F56-K62 HydrophobicContact CZ-CD 4.26Å; K59-K62 HydrophobicContact CB-CB 3.96Å; K59-K62 VanDerWaalsContact O-CB 3.23Å; K59-K62 WeakPolarHBondContact O-CB 3.18Å; K59-K62 PolarHBondContact O-N 2.96Å; P60-K62 VanDerWaalsContact C-N 3.26Å; P60-K62 PolarHBondContact O-N 3.32Å; K62-S64 VanDerWaalsContact C-N 3.31Å; K62-S64 PolarHBondContact O-N 3.34Å; K62-R67 PolarHBondContact O-NH1 3.4Å
63G97.2Very high95.8Very high26 Ų2660.4 Ų60.427%0.26830%0.304SS..THydrogen-bonded Turntrans78.26.8-178.500000115C61 G65 Y66 R67C61-G63 PolarHBondContact O-N 3.42Å; C61-G63 VanDerWaalsContact O-N 3.13Å; G63-G65 VanDerWaalsContact C-N 3.3Å; G63-G65 PolarHBondContact O-N 3.44Å; G63-Y66 WeakPolarHBondContact O-CB 3.32Å; G63-Y66 PolarHBondContact O-N 2.9Å; G63-R67 PolarHBondContact O-N 2.98Å
64S97.8Very high95.9Very high9 Ų960.7 Ų60.76%0.06330%0.304CS..Hα-helixtrans-55.5-44.2178.4176.90000112C61 K62 Y66 R67 C68 D106C61-S64 VanDerWaalsContact O-CB 3.3Å; C61-S64 WeakPolarHBondContact O-CB 3.19Å; C61-S64 PolarHBondContact O-N 2.85Å; K62-S64 VanDerWaalsContact C-N 3.31Å; K62-S64 PolarHBondContact O-N 3.34Å; S64-Y66 VanDerWaalsContact C-N 3.28Å; S64-Y66 PolarHBondContact O-N 2.99Å; S64-R67 PolarHBondContact O-N 2.87Å; S64-R67 VanDerWaalsContact O-N 3.15Å; S64-C68 WeakPolarHBondContact O-CB 3.35Å; S64-C68 PolarHBondContact O-N 3.22Å; S64-D106 WeakPolarHBondContact CA-OD1 3.41Å; S64-D106 VanDerWaalsContact CB-OD1 3.26Å; S64-D106 WeakPolarHBondContact CB-OD1 3.41Å; S64-D106 WeakPolarHBondContact CB-OD2 3.49Å; S64-D106 VanDerWaalsContact OG-CG 3.26Å; S64-D106 PolarHBondContact OG-OD1 3.43Å; S64-D106 PolarHBondContact OG-OD2 3.28Å
65G97.8Very high96Very high67 Ų6758.1 Ų58.169%0.69129%0.292SS*.Hα-helixtrans-62-30.3175.200000114.7G63G63-G65 VanDerWaalsContact C-N 3.3Å; G63-G65 PolarHBondContact O-N 3.44Å
66Y98.4Very high96.1Very high99 Ų9957.6 Ų57.639%0.38829%0.291SS..Hα-helixtrans-74-37.1175.2172.4-87.5000111.8Q50 H54 G63 S64Q50-Y66 HydrophobicContact CG-CE1 3.94Å; Q50-Y66 WeakPolarHBondContact O-CE1 3.3Å; Q50-Y66 PolarHBondContact O-OH 2.88Å; Q50-Y66 PolarHBondContact OE1-OH 2.85Å; H54-Y66 HydrophobicContact CB-CD1 3.59Å; H54-Y66 HydrophobicContact CB-CE1 3.78Å; H54-Y66 HydrophobicContact CB-CG 4.46Å; H54-Y66 AromaticContact CD2-CD1 3.96Å; H54-Y66 AromaticContact CE1-CE1 3.82Å; H54-Y66 AromaticContact CE1-CE2 3.96Å; H54-Y66 AromaticContact CE1-CZ 3.57Å; H54-Y66 AromaticContact CG-CD1 3.5Å; H54-Y66 VanDerWaalsContact CG-CD1 3.5Å; H54-Y66 AromaticContact CG-CE1 3.44Å; H54-Y66 VanDerWaalsContact CG-CE1 3.44Å; H54-Y66 AromaticContact ND1-CD1 3.8Å; H54-Y66 AromaticContact ND1-CE1 3.22Å; H54-Y66 WeakPolarHBondContact ND1-CE1 3.37Å; H54-Y66 AromaticContact ND1-CZ 3.44Å; G63-Y66 WeakPolarHBondContact O-CB 3.32Å; G63-Y66 PolarHBondContact O-N 2.9Å; S64-Y66 VanDerWaalsContact C-N 3.28Å; S64-Y66 PolarHBondContact O-N 2.99Å
67R98.6Very high96.3Very high1 Ų158.9 Ų58.90%0.00431%0.306CS..Hα-helixtrans-79.8-21.2178.8-61-169.9-59.3-88.8-4112.9Y51 H54 W55 P60 K62 G63 S64 I69 V105 D106Y51-R67 HydrophobicContact CD1-CB 3.98Å; Y51-R67 HydrophobicContact CD1-CG 3.59Å; Y51-R67 HydrophobicContact CD2-CG 4.33Å; Y51-R67 VanDerWaalsContact CE1-CA 3.48Å; Y51-R67 HydrophobicContact CE1-CB 3.6Å; Y51-R67 HydrophobicContact CE1-CG 3.79Å; Y51-R67 HydrophobicContact CE2-CB 4.24Å; Y51-R67 HydrophobicContact CE2-CG 4.49Å; Y51-R67 HydrophobicContact CG-CB 4.45Å; Y51-R67 HydrophobicContact CG-CG 3.89Å; Y51-R67 PolarHBondContact OH-O 2.88Å; H54-R67 WeakPolarHBondContact O-CD 3.47Å; H54-R67 PolarHBondContact O-NH1 3.48Å; W55-R67 VanDerWaalsContact CE3-CD 3.49Å; P60-R67 PolarHBondContact O-NH2 2.83Å; K62-R67 PolarHBondContact O-NH1 3.4Å; G63-R67 PolarHBondContact O-N 2.98Å; S64-R67 PolarHBondContact O-N 2.87Å; S64-R67 VanDerWaalsContact O-N 3.15Å; R67-I69 PolarHBondContact O-N 3.29Å; R67-V105 WeakPolarHBondContact CD-O 3.47Å; R67-V105 PolarHBondContact NE-O 3.25Å; R67-D106 IonicContact CZ-OD1 3.58Å; R67-D106 IonicContact NE-OD1 3.77Å; R67-D106 IonicContact NH2-OD1 3.49Å; R67-D106 PolarHBondContact NH2-OD1 3.2Å
68C98.3Very high96.6Very high26 Ų2659.3 Ų59.318%0.17631%0.307CS..  trans-53.3128.5-178.5-177.50000112.3S64 T102 L103S64-C68 WeakPolarHBondContact O-CB 3.35Å; S64-C68 PolarHBondContact O-N 3.22Å; C68-T102 WeakPolarHBondContact SG-CG2 3.5Å; C68-L103 WeakPolarHBondContact CA-O 3.37Å
69I98.8Very high97Very high1 Ų154.3 Ų54.31%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-94.5120.3171.3-63.5166.4000107.1L21 L47 R67 D76 V79 L103 V105L21-I69 HydrophobicContact CD1-CD1 4.37Å; L47-I69 HydrophobicContact CD1-CD1 3.94Å; L47-I69 HydrophobicContact CD2-CD1 4.06Å; L47-I69 HydrophobicContact CD2-CG1 4.47Å; R67-I69 PolarHBondContact O-N 3.29Å; I69-D76 HydrophobicContact CG2-CB 3.93Å; I69-V79 HydrophobicContact CG2-CG2 3.68Å; I69-L103 HydrophobicContact CB-CB 4.24Å; I69-L103 HydrophobicContact CD1-CD2 4.17Å; I69-L103 PolarHBondContact N-O 2.89Å; I69-L103 PolarHBondContact O-N 3.21Å; I69-V105 HydrophobicContact CD1-CG2 4.39Å
70R98.3Very high97.3Very high132 Ų13247.5 Ų47.550%0.49825%0.252SS..EExtended strand (participates in β ladder)trans-126.6127.3-177.2-168.6175.5177.8-169.3-0.8111.5D76 L101R70-D76 WeakPolarHBondContact O-CB 3.35Å; R70-D76 PolarHBondContact O-N 3.42Å; R70-L101 WeakPolarHBondContact CA-O 3.33Å
71I98.1Very high97.6Very high1 Ų151 Ų511%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-121123.1173.9-53.9176.6000107M75 D76 Y94 L97 E100 L101I71-M75 HydrophobicContact CD1-CE 4.47Å; I71-M75 HydrophobicContact CD1-SD 3.93Å; I71-M75 HydrophobicContact CG1-SD 4.04Å; I71-M75 HydrophobicContact CG2-CE 3.91Å; I71-M75 HydrophobicContact CG2-SD 4.23Å; I71-D76 HydrophobicContact CG1-CB 4.4Å; I71-Y94 HydrophobicContact CG2-CD1 4.37Å; I71-Y94 HydrophobicContact CG2-CE1 4.12Å; I71-L97 HydrophobicContact CD1-CB 4.13Å; I71-L97 HydrophobicContact CD1-CD1 3.66Å; I71-L97 HydrophobicContact CD1-CG 4.4Å; I71-E100 CarbonylContact O-C 3.6Å; I71-E100 WeakPolarHBondContact O-CA 3.46Å; I71-L101 HydrophobicContact CB-CB 4.25Å; I71-L101 HydrophobicContact CD1-CD2 4.19Å; I71-L101 PolarHBondContact N-O 3.11Å; I71-L101 PolarHBondContact O-N 3.48Å
72N95.3Very high97.8Very high20 Ų2049.4 Ų49.411%0.10726%0.256CS..SBendtrans-145.2-133.6174.560.26.2000108.4K74 Y94 S99 E100N72-K74 PolarHBondContact N-O 3.3Å; N72-K74 VanDerWaalsContact N-O 3.12Å; N72-K74 PolarHBondContact O-N 2.96Å; N72-K74 PolarHBondContact OD1-N 2.91Å; N72-K74 PolarHBondContact OD1-O 3.35Å; N72-Y94 VanDerWaalsContact O-CE1 3.26Å; N72-Y94 WeakPolarHBondContact O-CE1 3.42Å; N72-S99 CarbonylContact C-O 3.51Å; N72-S99 WeakPolarHBondContact CA-O 3.36Å; N72-E100 VanDerWaalsContact CA-OE1 3.26Å; N72-E100 WeakPolarHBondContact CA-OE1 3.15Å; N72-E100 WeakPolarHBondContact CB-OE1 3.36Å; N72-E100 WeakPolarHBondContact CB-OE2 3.45Å
73H93.6Very high97.9Very high167 Ų16743.9 Ų43.977%0.77323%0.232SC*.SBendtrans-59.2-11163.460.7-88.5000114.3Y94H73-Y94 VanDerWaalsContact C-OH 3.25Å; H73-Y94 PolarHBondContact O-OH 3.2Å
74K97.1Very high97.9Very high142 Ų14248.5 Ų48.562%0.61725%0.247SC*.SBendtrans-124.1132.3173-171.5177.2178.3-178.20110.5N72 Y94N72-K74 PolarHBondContact N-O 3.3Å; N72-K74 VanDerWaalsContact N-O 3.12Å; N72-K74 PolarHBondContact O-N 2.96Å; N72-K74 PolarHBondContact OD1-N 2.91Å; N72-K74 PolarHBondContact OD1-O 3.35Å; K74-Y94 WeakPolarHBondContact CA-OH 3.41Å; K74-Y94 PolarHBondContact N-OH 3Å
75M98.3Very high97.9Very high13 Ų1354.3 Ų54.36%0.06427%0.268CS..  trans-74.2136.8173.2-177.756.759.500109.4I71 V79 I90 L93 Y94 L97I71-M75 HydrophobicContact CD1-CE 4.47Å; I71-M75 HydrophobicContact CD1-SD 3.93Å; I71-M75 HydrophobicContact CG1-SD 4.04Å; I71-M75 HydrophobicContact CG2-CE 3.91Å; I71-M75 HydrophobicContact CG2-SD 4.23Å; M75-V79 HydrophobicContact SD-CB 4.3Å; M75-V79 HydrophobicContact SD-CG1 3.97Å; M75-I90 HydrophobicContact CB-CD1 4.46Å; M75-I90 HydrophobicContact CB-CG2 3.86Å; M75-I90 HydrophobicContact CG-CD1 4.15Å; M75-I90 HydrophobicContact CG-CG2 4.4Å; M75-L93 HydrophobicContact CE-CB 3.61Å; M75-L93 HydrophobicContact CG-CD1 4.4Å; M75-L93 HydrophobicContact SD-CB 4.41Å; M75-L93 HydrophobicContact SD-CD1 4.47Å; M75-Y94 HydrophobicContact CB-CE1 4.31Å; M75-Y94 HydrophobicContact CE-CD1 3.67Å; M75-Y94 HydrophobicContact CE-CE1 3.76Å; M75-Y94 HydrophobicContact CE-CG 4.18Å; M75-Y94 PolarHBondContact N-OH 3.35Å; M75-L97 HydrophobicContact CE-CD1 4.12Å; M75-L97 HydrophobicContact SD-CD1 4.15Å
76D98.7Very high97.8Very high16 Ų1651.8 Ų51.89%0.08624%0.238CC..  trans-56.6128.4170.8179.4-86.5000109.5I69 R70 I71 L78 V79 G80I69-D76 HydrophobicContact CG2-CB 3.93Å; R70-D76 WeakPolarHBondContact O-CB 3.35Å; R70-D76 PolarHBondContact O-N 3.42Å; I71-D76 HydrophobicContact CG1-CB 4.4Å; D76-L78 VanDerWaalsContact C-N 3.28Å; D76-L78 PolarHBondContact O-N 3.35Å; D76-L78 WeakPolarHBondContact OD1-CA 3.26Å; D76-L78 VanDerWaalsContact OD1-CB 3.29Å; D76-L78 WeakPolarHBondContact OD1-CB 3.47Å; D76-L78 PolarHBondContact OD1-N 3.1Å; D76-V79 HydrophobicContact CB-CB 4.06Å; D76-V79 HydrophobicContact CB-CG2 3.92Å; D76-V79 PolarHBondContact O-N 3.47Å; D76-V79 PolarHBondContact OD1-N 3.46Å; D76-G80 PolarHBondContact O-N 3.3Å
77P98.4Very high97.7Very high89 Ų8950 Ų5058%0.57825%0.25SS*.Hα-helixtrans-64.4-31.4-173.924.6-33.8000113.1Q81P77-Q81 VanDerWaalsContact O-CB 3.31Å; P77-Q81 WeakPolarHBondContact O-CB 3.21Å; P77-Q81 PolarHBondContact O-N 3.39Å
78L98.6Very high97.6Very high24 Ų2450.6 Ų50.613%0.12625%0.253CS..Hα-helixtrans-75-41.2-179.1-49.7-176.5000110.3L43 I46 L47 Q50 D76 Q81 A82L43-L78 HydrophobicContact CD1-CB 4.27Å; I46-L78 HydrophobicContact CG2-CB 3.77Å; I46-L78 HydrophobicContact CG2-CD1 4.21Å; I46-L78 HydrophobicContact CG2-CD2 3.66Å; I46-L78 HydrophobicContact CG2-CG 4.06Å; L47-L78 HydrophobicContact CD2-CB 4.37Å; L47-L78 HydrophobicContact CD2-CD1 3.67Å; Q50-L78 HydrophobicContact CB-CD1 4.15Å; Q50-L78 HydrophobicContact CG-CD1 3.83Å; D76-L78 VanDerWaalsContact C-N 3.28Å; D76-L78 PolarHBondContact O-N 3.35Å; D76-L78 WeakPolarHBondContact OD1-CA 3.26Å; D76-L78 VanDerWaalsContact OD1-CB 3.29Å; D76-L78 WeakPolarHBondContact OD1-CB 3.47Å; D76-L78 PolarHBondContact OD1-N 3.1Å; L78-Q81 PolarHBondContact O-N 3.02Å; L78-A82 PolarHBondContact O-N 2.94Å
79V98.7Very high97.6Very high0 Ų052.4 Ų52.40%026%0.263CS..Hα-helixtrans-63.1-44.7171.3178.30000110.8L21 F39 L43 I69 M75 D76 Q81 A82 G83 L97L21-V79 HydrophobicContact CD1-CG2 4.02Å; F39-V79 HydrophobicContact CE2-CG1 4.45Å; F39-V79 HydrophobicContact CZ-CG1 4.35Å; L43-V79 HydrophobicContact CD1-CG2 4.5Å; L43-V79 HydrophobicContact CD2-CG2 4.37Å; I69-V79 HydrophobicContact CG2-CG2 3.68Å; M75-V79 HydrophobicContact SD-CB 4.3Å; M75-V79 HydrophobicContact SD-CG1 3.97Å; D76-V79 HydrophobicContact CB-CB 4.06Å; D76-V79 HydrophobicContact CB-CG2 3.92Å; D76-V79 PolarHBondContact O-N 3.47Å; D76-V79 PolarHBondContact OD1-N 3.46Å; V79-Q81 PolarHBondContact O-N 2.94Å; V79-A82 PolarHBondContact O-N 3.06Å; V79-G83 PolarHBondContact O-N 3.31Å; V79-L97 HydrophobicContact CG1-CD1 3.78Å
80G98.4Very high97.5Very high3 Ų354.7 Ų54.73%0.03128%0.275CS..Hα-helixtrans-58.1-46.417600000112.2D76 G83 Q84D76-G80 PolarHBondContact O-N 3.3Å; G80-G83 PolarHBondContact O-N 3.43Å; G80-Q84 WeakPolarHBondContact O-CG 3.47Å; G80-Q84 PolarHBondContact O-N 3.22Å
81Q98.6Very high97.3Very high86 Ų8654.7 Ų54.740%0.40228%0.281SS..Hα-helixtrans-60.7-45.5176.3-173.6-17711.700111.9I46 P77 L78 V79 Q84 R85I46-Q81 HydrophobicContact CD1-CB 4.26Å; I46-Q81 HydrophobicContact CD1-CG 4Å; P77-Q81 VanDerWaalsContact O-CB 3.31Å; P77-Q81 WeakPolarHBondContact O-CB 3.21Å; P77-Q81 PolarHBondContact O-N 3.39Å; L78-Q81 PolarHBondContact O-N 3.02Å; V79-Q81 PolarHBondContact O-N 2.94Å; Q81-Q84 PolarHBondContact O-N 2.74Å; Q81-R85 WeakPolarHBondContact O-CG 3.39Å; Q81-R85 PolarHBondContact O-N 3.39Å
82A98.5Very high97.2Very high0 Ų058.6 Ų58.60%030%0.299CS..Hα-helixtrans-65-39.1177.200000112.3F39 L43 I46 L78 V79 R85F39-A82 HydrophobicContact CD2-CB 3.77Å; F39-A82 HydrophobicContact CE2-CB 3.71Å; L43-A82 HydrophobicContact CB-CB 3.84Å; L43-A82 HydrophobicContact CD1-CB 4.13Å; L43-A82 HydrophobicContact CG-CB 4.47Å; I46-A82 HydrophobicContact CD1-CB 4.36Å; L78-A82 PolarHBondContact O-N 2.94Å; V79-A82 PolarHBondContact O-N 3.06Å; A82-R85 PolarHBondContact O-N 3.29Å
83G97.9Very high97.3Very high0 Ų057.7 Ų57.70%029%0.294CS..Hα-helixtrans-63.3-41.1175.100000112.9V79 G80 R85 I86 G87 L88V79-G83 PolarHBondContact O-N 3.31Å; G80-G83 PolarHBondContact O-N 3.43Å; G83-R85 VanDerWaalsContact C-N 3.28Å; G83-R85 PolarHBondContact O-N 2.92Å; G83-I86 WeakPolarHBondContact O-CG1 3.28Å; G83-I86 PolarHBondContact O-N 2.97Å; G83-I86 VanDerWaalsContact O-N 3.1Å; G83-G87 PolarHBondContact O-N 3.21Å; G83-L88 PolarHBondContact O-N 3.05Å
84Q97.9Very high97.4Very high122 Ų12253.2 Ų53.257%0.5727%0.271SS*.Hα-helixtrans-60.9-35.7175.6-75.3175.4-900112.5G80 Q81 I86 G87G80-Q84 WeakPolarHBondContact O-CG 3.47Å; G80-Q84 PolarHBondContact O-N 3.22Å; Q81-Q84 PolarHBondContact O-N 2.74Å; Q84-I86 PolarHBondContact O-N 3.14Å; Q84-I86 VanDerWaalsContact O-N 3.13Å; Q84-G87 PolarHBondContact O-N 3.19Å
85R97.6Very high97.2Very high132 Ų13252.4 Ų52.450%0.49827%0.273SS..THydrogen-bonded Turntrans-62-20.2177.2-62.7-156-167.4163-4113.7S42 Q81 A82 G83S42-R85 WeakPolarHBondContact OG-CD 3.13Å; S42-R85 PolarHBondContact OG-NE 2.92Å; S42-R85 PolarHBondContact OG-NH1 3.36Å; Q81-R85 WeakPolarHBondContact O-CG 3.39Å; Q81-R85 PolarHBondContact O-N 3.39Å; A82-R85 PolarHBondContact O-N 3.29Å; G83-R85 VanDerWaalsContact C-N 3.28Å; G83-R85 PolarHBondContact O-N 2.92Å
86I96.8Very high97.1Very high13 Ų1352.4 Ų52.47%0.06727%0.273CS..THydrogen-bonded Turntrans-106.411.3177.265156.3000112.9V31 Q35 T38 F39 G83 Q84 L88V31-I86 HydrophobicContact CG1-CD1 3.84Å; Q35-I86 HydrophobicContact CB-CB 4.16Å; Q35-I86 HydrophobicContact CB-CD1 4.2Å; Q35-I86 HydrophobicContact CB-CG2 4.43Å; Q35-I86 HydrophobicContact CG-CB 4.33Å; Q35-I86 PolarHBondContact NE2-O 3.17Å; Q35-I86 VanDerWaalsContact O-CG2 3.3Å; Q35-I86 WeakPolarHBondContact O-CG2 3.38Å; T38-I86 HydrophobicContact CG2-CG2 3.74Å; F39-I86 HydrophobicContact CB-CD1 3.99Å; F39-I86 HydrophobicContact CB-CG1 4.46Å; F39-I86 HydrophobicContact CB-CG2 4.05Å; F39-I86 HydrophobicContact CD2-CD1 4.48Å; G83-I86 WeakPolarHBondContact O-CG1 3.28Å; G83-I86 PolarHBondContact O-N 2.97Å; G83-I86 VanDerWaalsContact O-N 3.1Å; Q84-I86 PolarHBondContact O-N 3.14Å; Q84-I86 VanDerWaalsContact O-N 3.13Å; I86-L88 HydrophobicContact CD1-CD1 3.61Å; I86-L88 HydrophobicContact CD1-CG 3.94Å; I86-L88 HydrophobicContact CG1-CD1 4.13Å; I86-L88 HydrophobicContact CG1-CG 4.01Å
87G96.3Very high96.9Very high63 Ų6352.1 Ų52.165%0.64927%0.271SS*.THydrogen-bonded Turntrans83.614.1176.700000115G83 Q84G83-G87 PolarHBondContact O-N 3.21Å; Q84-G87 PolarHBondContact O-N 3.19Å
88L96.3Very high96.8Very high13 Ų1348.9 Ų48.97%0.06825%0.25CS..  trans-87.7134.1177.1-63.5-179.8000111.7L25 V31 G83 I86 Q92 L93 L96L25-L88 HydrophobicContact CD2-CD1 4.45Å; V31-L88 HydrophobicContact CG2-CD1 4.11Å; V31-L88 HydrophobicContact CG2-CD2 4.46Å; G83-L88 PolarHBondContact O-N 3.05Å; I86-L88 HydrophobicContact CD1-CD1 3.61Å; I86-L88 HydrophobicContact CD1-CG 3.94Å; I86-L88 HydrophobicContact CG1-CD1 4.13Å; I86-L88 HydrophobicContact CG1-CG 4.01Å; L88-Q92 HydrophobicContact CD2-CB 4.25Å; L88-L93 HydrophobicContact CB-CD2 4.21Å; L88-L93 HydrophobicContact CB-CG 4.24Å; L88-L93 HydrophobicContact CD1-CD2 3.74Å; L88-L96 HydrophobicContact CD1-CD1 3.83Å; L88-L96 HydrophobicContact CD2-CD1 4.45Å
89T96.6Very high96.5Very high63 Ų6351.9 Ų51.939%0.38727%0.273SS..  trans-76.5161.5167.470.90000110.8Q91 Q92 L93T89-Q91 PolarHBondContact O-N 3.14Å; T89-Q91 PolarHBondContact OG1-OE1 2.87Å; T89-Q92 PolarHBondContact O-N 2.95Å; T89-Q92 VanDerWaalsContact O-N 3.16Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.15Å; T89-Q92 PolarHBondContact OG1-N 2.88Å; T89-Q92 PolarHBondContact OG1-OE1 2.84Å; T89-L93 PolarHBondContact O-N 3.28Å
90I96.7Very high96.5Very high50 Ų5054.2 Ų54.226%0.25628%0.284SS..Hα-helixtrans-59.8-37.8175.5-59.8-58.6000111.1M75 Q92 L93 Y94M75-I90 HydrophobicContact CB-CD1 4.46Å; M75-I90 HydrophobicContact CB-CG2 3.86Å; M75-I90 HydrophobicContact CG-CD1 4.15Å; M75-I90 HydrophobicContact CG-CG2 4.4Å; I90-Q92 PolarHBondContact O-N 2.87Å; I90-L93 HydrophobicContact CD1-CD1 4.19Å; I90-L93 WeakPolarHBondContact O-CB 3.28Å; I90-L93 PolarHBondContact O-N 2.84Å; I90-Y94 HydrophobicContact CG2-CD2 4Å; I90-Y94 HydrophobicContact CG2-CE2 3.58Å; I90-Y94 VanDerWaalsContact O-CD2 3.28Å; I90-Y94 WeakPolarHBondContact O-CD2 3.28Å; I90-Y94 PolarHBondContact O-N 3.34Å
91Q95.8Very high96.5Very high132 Ų13254 Ų5462%0.61728%0.283SS*.Hα-helixtrans-63-42.3176.7-65.178.64.300111.5T89 Y94 L95T89-Q91 PolarHBondContact O-N 3.14Å; T89-Q91 PolarHBondContact OG1-OE1 2.87Å; Q91-Y94 PolarHBondContact O-N 3.41Å; Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 2.85Å
92Q95.4Very high96.5Very high83 Ų8350.4 Ų50.439%0.38827%0.266SS..Hα-helixtrans-64.6-40.7175-72.5169.5-38.900111.4L88 T89 I90 Y94 L95 L96L88-Q92 HydrophobicContact CD2-CB 4.25Å; T89-Q92 PolarHBondContact O-N 2.95Å; T89-Q92 VanDerWaalsContact O-N 3.16Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.15Å; T89-Q92 PolarHBondContact OG1-N 2.88Å; T89-Q92 PolarHBondContact OG1-OE1 2.84Å; I90-Q92 PolarHBondContact O-N 2.87Å; Q92-Y94 VanDerWaalsContact C-N 3.3Å; Q92-Y94 PolarHBondContact O-N 3.01Å; Q92-L95 WeakPolarHBondContact O-CB 3.22Å; Q92-L95 PolarHBondContact O-N 3.3Å; Q92-L95 VanDerWaalsContact O-N 3.08Å; Q92-L96 VanDerWaalsContact O-CG 3.28Å; Q92-L96 WeakPolarHBondContact O-CG 3.19Å; Q92-L96 PolarHBondContact O-N 2.89Å
93L96.3Very high96.5Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-59.4-39.9175.3-69.8172.3000112.1L25 M75 L88 T89 I90 L95 L96 L97L25-L93 HydrophobicContact CD2-CD2 4.38Å; M75-L93 HydrophobicContact CE-CB 3.61Å; M75-L93 HydrophobicContact CG-CD1 4.4Å; M75-L93 HydrophobicContact SD-CB 4.41Å; M75-L93 HydrophobicContact SD-CD1 4.47Å; L88-L93 HydrophobicContact CB-CD2 4.21Å; L88-L93 HydrophobicContact CB-CG 4.24Å; L88-L93 HydrophobicContact CD1-CD2 3.74Å; T89-L93 PolarHBondContact O-N 3.28Å; I90-L93 HydrophobicContact CD1-CD1 4.19Å; I90-L93 WeakPolarHBondContact O-CB 3.28Å; I90-L93 PolarHBondContact O-N 2.84Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 2.61Å; L93-L96 PolarHBondContact O-N 2.94Å; L93-L97 HydrophobicContact CB-CD1 4.31Å; L93-L97 HydrophobicContact CD2-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CB 3.34Å; L93-L97 PolarHBondContact O-N 3.45Å
94Y95.9Very high96.5Very high74 Ų7451.2 Ų51.229%0.2927%0.269SS..Hα-helixtrans-64.2-28.2174.8-75.2-54.3000114.2I71 N72 H73 K74 M75 I90 Q91 Q92 L96I71-Y94 HydrophobicContact CG2-CD1 4.37Å; I71-Y94 HydrophobicContact CG2-CE1 4.12Å; N72-Y94 VanDerWaalsContact O-CE1 3.26Å; N72-Y94 WeakPolarHBondContact O-CE1 3.42Å; H73-Y94 VanDerWaalsContact C-OH 3.25Å; H73-Y94 PolarHBondContact O-OH 3.2Å; K74-Y94 WeakPolarHBondContact CA-OH 3.41Å; K74-Y94 PolarHBondContact N-OH 3Å; M75-Y94 HydrophobicContact CB-CE1 4.31Å; M75-Y94 HydrophobicContact CE-CD1 3.67Å; M75-Y94 HydrophobicContact CE-CE1 3.76Å; M75-Y94 HydrophobicContact CE-CG 4.18Å; M75-Y94 PolarHBondContact N-OH 3.35Å; I90-Y94 HydrophobicContact CG2-CD2 4Å; I90-Y94 HydrophobicContact CG2-CE2 3.58Å; I90-Y94 VanDerWaalsContact O-CD2 3.28Å; I90-Y94 WeakPolarHBondContact O-CD2 3.28Å; I90-Y94 PolarHBondContact O-N 3.34Å; Q91-Y94 PolarHBondContact O-N 3.41Å; Q92-Y94 VanDerWaalsContact C-N 3.3Å; Q92-Y94 PolarHBondContact O-N 3.01Å; Y94-L96 VanDerWaalsContact C-N 3.33Å
95L94.1Very high96.5Very high124 Ų12445.4 Ų45.465%0.64924%0.242SC*.Hα-helixtrans-76.7-24.6176.1-64.5173.8000112.5K28 Q91 Q92 L93K28-L95 PolarHBondContact NZ-O 3.11Å; Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 2.85Å; Q92-L95 WeakPolarHBondContact O-CB 3.22Å; Q92-L95 PolarHBondContact O-N 3.3Å; Q92-L95 VanDerWaalsContact O-N 3.08Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 2.61Å
96L94.9Very high96.5Very high13 Ų1339.2 Ų39.27%0.06822%0.219CC..Hα-helixtrans-95.5-37.8-174.9-62.9172.8000112.7L25 K28 H30 V31 L88 Q92 L93 Y94L25-L96 HydrophobicContact CD2-CB 4.01Å; L25-L96 HydrophobicContact CD2-CD1 3.95Å; K28-L96 HydrophobicContact CB-CD2 3.7Å; K28-L96 HydrophobicContact CD-CD2 4.48Å; K28-L96 HydrophobicContact CG-CD2 4.37Å; H30-L96 HydrophobicContact CB-CD2 4.42Å; V31-L96 HydrophobicContact CG2-CD1 4.05Å; L88-L96 HydrophobicContact CD1-CD1 3.83Å; L88-L96 HydrophobicContact CD2-CD1 4.45Å; Q92-L96 VanDerWaalsContact O-CG 3.28Å; Q92-L96 WeakPolarHBondContact O-CG 3.19Å; Q92-L96 PolarHBondContact O-N 2.89Å; L93-L96 PolarHBondContact O-N 2.94Å; Y94-L96 VanDerWaalsContact C-N 3.33Å
97L95.8Very high96.5Very high10 Ų1038.8 Ų38.85%0.05222%0.217CC..SBendtrans-95.1157.8-176.7-63.2169.7000111.5L21 F24 L25 I71 M75 V79 L93 S99L21-L97 HydrophobicContact CD2-CD2 4.3Å; F24-L97 HydrophobicContact CB-CD2 3.86Å; F24-L97 HydrophobicContact CD2-CD2 4.37Å; F24-L97 HydrophobicContact CG-CD2 4.37Å; L25-L97 HydrophobicContact CD2-CD2 4.36Å; I71-L97 HydrophobicContact CD1-CB 4.13Å; I71-L97 HydrophobicContact CD1-CD1 3.66Å; I71-L97 HydrophobicContact CD1-CG 4.4Å; M75-L97 HydrophobicContact CE-CD1 4.12Å; M75-L97 HydrophobicContact SD-CD1 4.15Å; V79-L97 HydrophobicContact CG1-CD1 3.78Å; L93-L97 HydrophobicContact CB-CD1 4.31Å; L93-L97 HydrophobicContact CD2-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CB 3.34Å; L93-L97 PolarHBondContact O-N 3.45Å; L97-S99 PolarHBondContact O-N 2.98Å
98P95.5Very high96.5Very high21 Ų2136.7 Ų36.714%0.13619%0.19CC..  trans-58137.6171.7-20.131.5000111F24 E100 L101 I114F24-P98 HydrophobicContact CD1-CG 4.1Å; F24-P98 HydrophobicContact CE1-CG 3.6Å; F24-P98 HydrophobicContact CE2-CG 4.13Å; F24-P98 HydrophobicContact CZ-CG 3.62Å; P98-E100 VanDerWaalsContact C-N 3.27Å; P98-E100 PolarHBondContact O-N 3.47Å; P98-L101 HydrophobicContact CB-CB 4.29Å; P98-I114 HydrophobicContact CB-CG1 4.47Å; P98-I114 HydrophobicContact CB-CG2 4.12Å; P98-I114 HydrophobicContact CG-CD1 4.18Å; P98-I114 HydrophobicContact CG-CG1 4.44Å
99S93.7Very high96.5Very high87 Ų8737 Ų3761%0.60819%0.191SC*.SBendtrans-65.8-30.2-178.456.90000113N72 L97N72-S99 CarbonylContact C-O 3.51Å; N72-S99 WeakPolarHBondContact CA-O 3.36Å; L97-S99 PolarHBondContact O-N 2.98Å
100E97.2Very high96.6Very high49 Ų4934 Ų3423%0.22917%0.173CC..SBendtrans-128.7103.3174.7-69.8-61.5139.400108.7I71 N72 P98 I114 G115I71-E100 CarbonylContact O-C 3.6Å; I71-E100 WeakPolarHBondContact O-CA 3.46Å; N72-E100 VanDerWaalsContact CA-OE1 3.26Å; N72-E100 WeakPolarHBondContact CA-OE1 3.15Å; N72-E100 WeakPolarHBondContact CB-OE1 3.36Å; N72-E100 WeakPolarHBondContact CB-OE2 3.45Å; P98-E100 VanDerWaalsContact C-N 3.27Å; P98-E100 PolarHBondContact O-N 3.47Å; E100-I114 CarbonylContact O-C 3.47Å; E100-I114 WeakPolarHBondContact O-CA 3.31Å; E100-G115 PolarHBondContact O-N 3.06Å
101L98.2Very high96.7Very high0 Ų031.8 Ų31.80%016%0.162CC..EExtended strand (participates in β ladder)trans-131.1134.7177.7174.465.5000109.6F20 L21 R70 I71 P98 Y112 R113 I114F20-L101 HydrophobicContact CE1-CD1 4.02Å; F20-L101 HydrophobicContact CE1-CD2 4.42Å; L21-L101 HydrophobicContact CD2-CD2 3.66Å; R70-L101 WeakPolarHBondContact CA-O 3.33Å; I71-L101 HydrophobicContact CB-CB 4.25Å; I71-L101 HydrophobicContact CD1-CD2 4.19Å; I71-L101 PolarHBondContact N-O 3.11Å; I71-L101 PolarHBondContact O-N 3.48Å; P98-L101 HydrophobicContact CB-CB 4.29Å; L101-Y112 HydrophobicContact CD1-CD2 4.43Å; L101-R113 WeakPolarHBondContact CA-O 3.29Å; L101-I114 HydrophobicContact CD1-CG1 3.87Å
102T98.5Very high96.8Very high10 Ų1027.8 Ų27.86%0.06114%0.141CC..EExtended strand (participates in β ladder)trans-126.1125.6164.7-51.60000108C68 W104 Y112 R113C68-T102 WeakPolarHBondContact SG-CG2 3.5Å; T102-W104 HydrophobicContact CG2-CD2 4.2Å; T102-W104 HydrophobicContact CG2-CE3 4.41Å; T102-W104 HydrophobicContact CG2-CH2 3.55Å; T102-W104 HydrophobicContact CG2-CZ2 3.28Å; T102-W104 HydrophobicContact CG2-CZ3 4.12Å; T102-Y112 CarbonylContact O-C 3.59Å; T102-Y112 WeakPolarHBondContact O-CA 3.41Å; T102-R113 PolarHBondContact N-O 2.78Å; T102-R113 PolarHBondContact O-N 3.3Å; T102-R113 PolarHBondContact OG1-NH2 3.22Å
103L98.7Very high96.9Very high0 Ų026.7 Ų26.70%013%0.134CC..EExtended strand (participates in β ladder)trans-128.9116.2-176.3174.367.1000108.8A17 F20 L21 C68 I69 V105 V110A17-L103 HydrophobicContact CB-CD2 3.96Å; F20-L103 HydrophobicContact CD1-CD1 4.4Å; F20-L103 HydrophobicContact CD1-CD2 4.36Å; L21-L103 HydrophobicContact CD1-CD2 4.27Å; L21-L103 HydrophobicContact CG-CD2 4.23Å; C68-L103 WeakPolarHBondContact CA-O 3.37Å; I69-L103 HydrophobicContact CB-CB 4.24Å; I69-L103 HydrophobicContact CD1-CD2 4.17Å; I69-L103 PolarHBondContact N-O 2.89Å; I69-L103 PolarHBondContact O-N 3.21Å; L103-V105 HydrophobicContact CG-CG2 4.27Å; L103-V110 HydrophobicContact CD1-CG1 3.68Å
104W98.6Very high97Very high16 Ų1630.3 Ų30.36%0.06115%0.152CC..EExtended strand (participates in β ladder)trans-95.2127.7176.9-61.5-87.5000109.4T102 V110 S111 R113 I120 M160T102-W104 HydrophobicContact CG2-CD2 4.2Å; T102-W104 HydrophobicContact CG2-CE3 4.41Å; T102-W104 HydrophobicContact CG2-CH2 3.55Å; T102-W104 HydrophobicContact CG2-CZ2 3.28Å; T102-W104 HydrophobicContact CG2-CZ3 4.12Å; W104-V110 WeakPolarHBondContact O-CA 3.46Å; W104-V110 WeakPolarHBondContact O-CG1 3.3Å; W104-S111 PolarHBondContact N-O 3.43Å; W104-S111 PolarHBondContact O-N 3.48Å; W104-S111 VanDerWaalsContact O-N 3.12Å; W104-R113 HydrophobicContact CH2-CB 4.09Å; W104-R113 HydrophobicContact CZ3-CB 3.98Å; W104-I120 HydrophobicContact CZ3-CG1 4.42Å; W104-M160 HydrophobicContact CZ2-CE 3.66Å
105V98.5Very high96.9Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-119.490.6179.2-169.60000106.8E13 I14 A17 Y51 W55 R67 I69 L103 V110E13-V105 HydrophobicContact CB-CG1 3.9Å; I14-V105 HydrophobicContact CG1-CG1 4.43Å; A17-V105 HydrophobicContact CB-CG1 4.37Å; A17-V105 HydrophobicContact CB-CG2 3.6Å; Y51-V105 HydrophobicContact CE2-CB 3.96Å; Y51-V105 HydrophobicContact CE2-CG1 3.92Å; W55-V105 HydrophobicContact CZ3-CG1 4.47Å; W55-V105 WeakPolarHBondContact CZ3-O 3.4Å; R67-V105 WeakPolarHBondContact CD-O 3.47Å; R67-V105 PolarHBondContact NE-O 3.25Å; I69-V105 HydrophobicContact CD1-CG2 4.39Å; L103-V105 HydrophobicContact CG-CG2 4.27Å; V105-V110 HydrophobicContact CG1-CG2 4.3Å
106D97.6Very high96.7Very high3 Ų329 Ų292%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-117153.9-172.2-63.4-24.9000110E13 W55 S64 R67 F108 E109E13-D106 WeakPolarHBondContact CG-O 3.42Å; W55-D106 VanDerWaalsContact CH2-C 3.41Å; S64-D106 WeakPolarHBondContact CA-OD1 3.41Å; S64-D106 VanDerWaalsContact CB-OD1 3.26Å; S64-D106 WeakPolarHBondContact CB-OD1 3.41Å; S64-D106 WeakPolarHBondContact CB-OD2 3.49Å; S64-D106 VanDerWaalsContact OG-CG 3.26Å; S64-D106 PolarHBondContact OG-OD1 3.43Å; S64-D106 PolarHBondContact OG-OD2 3.28Å; R67-D106 IonicContact CZ-OD1 3.58Å; R67-D106 IonicContact NE-OD1 3.77Å; R67-D106 IonicContact NH2-OD1 3.49Å; R67-D106 PolarHBondContact NH2-OD1 3.2Å; D106-F108 PolarHBondContact O-N 2.7Å; D106-F108 VanDerWaalsContact O-N 3.14Å; D106-E109 CarbonylContact C-O 3.51Å; D106-E109 PolarHBondContact N-O 2.84Å; D106-E109 CarbonylContact O-C 3.51Å; D106-E109 PolarHBondContact O-N 2.76Å
107P96.4Very high96.5Very high3 Ų336.2 Ų36.22%0.01919%0.191CC..THydrogen-bonded Turntrans-50.5127.3173.8-23.929.3000111.1W55 P57 P60 E109W55-P107 HydrophobicContact CD2-CG 3.88Å; W55-P107 HydrophobicContact CE3-CG 4.31Å; W55-P107 HydrophobicContact CG-CG 4.39Å; W55-P107 HydrophobicContact CH2-CG 4.2Å; W55-P107 HydrophobicContact CZ2-CB 3.88Å; W55-P107 HydrophobicContact CZ2-CG 3.77Å; W55-P107 HydrophobicContact CZ3-CG 4.45Å; P57-P107 HydrophobicContact CB-CB 4.37Å; P60-P107 HydrophobicContact CB-CB 4.08Å; P60-P107 HydrophobicContact CB-CG 4.19Å; P60-P107 HydrophobicContact CG-CB 4.19Å; P107-E109 PolarHBondContact O-N 3.31Å
108F95.3Very high96.4Very high19 Ų1936.9 Ų36.98%0.08320%0.2CC..THydrogen-bonded Turntrans69.8-3.4179-41.3-65.5000116.6E13 P57 P60 D106 E125 S126 P128E13-F108 PolarHBondContact OE1-N 3.13Å; P57-F108 HydrophobicContact CB-CE2 4.02Å; P57-F108 HydrophobicContact CB-CZ 3.93Å; P57-F108 WeakPolarHBondContact O-CE2 3.39Å; P60-F108 HydrophobicContact CG-CD2 4.13Å; P60-F108 HydrophobicContact CG-CE2 4.49Å; D106-F108 PolarHBondContact O-N 2.7Å; D106-F108 VanDerWaalsContact O-N 3.14Å; F108-E125 CarbonylContact O-C 3.55Å; F108-E125 VanDerWaalsContact O-CA 3.3Å; F108-E125 WeakPolarHBondContact O-CA 3.26Å; F108-S126 WeakPolarHBondContact CA-OG 3.45Å; F108-S126 WeakPolarHBondContact CB-O 3.3Å; F108-S126 PolarHBondContact O-N 3.32Å; F108-P128 HydrophobicContact CD2-CB 4.34Å; F108-P128 HydrophobicContact CD2-CG 4Å; F108-P128 HydrophobicContact CE1-CB 4.17Å; F108-P128 HydrophobicContact CE2-CB 3.86Å; F108-P128 HydrophobicContact CE2-CG 3.96Å; F108-P128 HydrophobicContact CG-CG 4.38Å; F108-P128 HydrophobicContact CZ-CB 3.76Å; F108-P128 HydrophobicContact CZ-CG 4.32Å
109E96.6Very high96.4Very high19 Ų1940.5 Ų40.59%0.08923%0.226CC..EExtended strand (participates in β ladder)trans-145.9130.5-179.1-161.6-166.7114.900112.1D106 P107 S111 V122 Y124 S155 K157D106-E109 CarbonylContact C-O 3.51Å; D106-E109 PolarHBondContact N-O 2.84Å; D106-E109 CarbonylContact O-C 3.51Å; D106-E109 PolarHBondContact O-N 2.76Å; P107-E109 PolarHBondContact O-N 3.31Å; E109-S111 WeakPolarHBondContact OE1-CB 3.22Å; E109-S111 PolarHBondContact OE1-OG 2.82Å; E109-V122 HydrophobicContact CG-CG1 4.49Å; E109-Y124 CarbonylContact C-O 3.6Å; E109-Y124 WeakPolarHBondContact CA-O 3.36Å; E109-S155 PolarHBondContact OE2-OG 2.84Å; E109-K157 WeakPolarHBondContact OE1-CE 3.39Å; E109-K157 IonicContact OE1-NZ 3.1Å; E109-K157 PolarHBondContact OE1-NZ 3.26Å; E109-K157 IonicContact OE2-NZ 2.81Å; E109-K157 PolarHBondContact OE2-NZ 3Å
110V98.5Very high96.6Very high0 Ų038.7 Ų38.70%021%0.209CC..EExtended strand (participates in β ladder)trans-118122.8163.5-175.30000107.9E13 A16 A17 L103 W104 V105 L123 Y124E13-V110 HydrophobicContact CB-CG2 3.63Å; E13-V110 HydrophobicContact CG-CG2 4.12Å; E13-V110 WeakPolarHBondContact O-CG2 3.42Å; A16-V110 HydrophobicContact CB-CG2 4.24Å; A17-V110 HydrophobicContact CB-CG1 4.16Å; L103-V110 HydrophobicContact CD1-CG1 3.68Å; W104-V110 WeakPolarHBondContact O-CA 3.46Å; W104-V110 WeakPolarHBondContact O-CG1 3.3Å; V105-V110 HydrophobicContact CG1-CG2 4.3Å; V110-L123 HydrophobicContact CB-CB 4.35Å; V110-L123 HydrophobicContact CB-CD2 4.34Å; V110-L123 HydrophobicContact CG1-CB 4.21Å; V110-L123 HydrophobicContact CG1-CD2 3.88Å; V110-L123 WeakPolarHBondContact O-CA 3.46Å; V110-L123 WeakPolarHBondContact O-CB 3.4Å; V110-L123 PolarHBondContact O-N 2.65Å; V110-Y124 HydrophobicContact CG2-CD1 4.25Å; V110-Y124 HydrophobicContact CG2-CG 4.48Å; V110-Y124 PolarHBondContact N-O 2.76Å; V110-Y124 PolarHBondContact O-N 3.02Å; V110-Y124 VanDerWaalsContact O-N 3.1Å
111S98.4Very high96.6Very high4 Ų438.7 Ų38.73%0.02821%0.214CC..EExtended strand (participates in β ladder)trans-135.8157.1178.955.50000110.9W104 E109 C121W104-S111 PolarHBondContact N-O 3.43Å; W104-S111 PolarHBondContact O-N 3.48Å; W104-S111 VanDerWaalsContact O-N 3.12Å; E109-S111 WeakPolarHBondContact OE1-CB 3.22Å; E109-S111 PolarHBondContact OE1-OG 2.82Å; S111-C121 CarbonylContact C-O 3.56Å; S111-C121 WeakPolarHBondContact CA-O 3.3Å; S111-C121 VanDerWaalsContact CB-O 3.29Å; S111-C121 WeakPolarHBondContact CB-O 3.33Å
112Y98.6Very high96.6Very high49 Ų4941.8 Ų41.819%0.19223%0.233CC..EExtended strand (participates in β ladder)trans-144.1161.4-175.972.9-86.3000112F20 L101 T102 I114 I120 C121 L123F20-Y112 HydrophobicContact CE1-CD1 4.48Å; F20-Y112 HydrophobicContact CE1-CD2 4.24Å; F20-Y112 HydrophobicContact CE1-CG 4.11Å; F20-Y112 HydrophobicContact CE2-CD1 4.42Å; F20-Y112 HydrophobicContact CE2-CE1 4.13Å; F20-Y112 HydrophobicContact CE2-CE2 4.3Å; F20-Y112 HydrophobicContact CZ-CD1 4.14Å; F20-Y112 AromaticContact CZ-CD2 3.74Å; F20-Y112 HydrophobicContact CZ-CD2 3.74Å; F20-Y112 HydrophobicContact CZ-CE1 4.18Å; F20-Y112 AromaticContact CZ-CE2 3.8Å; F20-Y112 HydrophobicContact CZ-CE2 3.8Å; F20-Y112 AromaticContact CZ-CG 3.91Å; F20-Y112 HydrophobicContact CZ-CG 3.91Å; L101-Y112 HydrophobicContact CD1-CD2 4.43Å; T102-Y112 CarbonylContact O-C 3.59Å; T102-Y112 WeakPolarHBondContact O-CA 3.41Å; Y112-I114 HydrophobicContact CD2-CD1 4.21Å; Y112-I114 HydrophobicContact CD2-CG1 3.96Å; Y112-I114 HydrophobicContact CE2-CD1 3.89Å; Y112-I114 HydrophobicContact CE2-CG1 4.06Å; Y112-I120 CarbonylContact O-C 3.52Å; Y112-I120 WeakPolarHBondContact O-CA 3.04Å; Y112-C121 HydrophobicContact CD1-CB 4.07Å; Y112-C121 HydrophobicContact CE1-CB 3.47Å; Y112-C121 VanDerWaalsContact CE1-CB 3.47Å; Y112-C121 HydrophobicContact CE2-CB 4.1Å; Y112-C121 VanDerWaalsContact CZ-CB 3.49Å; Y112-C121 PolarHBondContact N-O 2.7Å; Y112-C121 PolarHBondContact O-N 3.09Å; Y112-L123 HydrophobicContact CD1-CB 4.24Å; Y112-L123 HydrophobicContact CD1-CD1 4.37Å; Y112-L123 HydrophobicContact CE1-CB 4.49Å; Y112-L123 HydrophobicContact CE1-CD1 4.23Å
113R98.2Very high96.5Very high60 Ų6043.7 Ų43.723%0.22624%0.243CC..EExtended strand (participates in β ladder)trans-134.1132169.5-174.7-177.466.6-130.6-5.1108.9L101 T102 W104 G115 G118L101-R113 WeakPolarHBondContact CA-O 3.29Å; T102-R113 PolarHBondContact N-O 2.78Å; T102-R113 PolarHBondContact O-N 3.3Å; T102-R113 PolarHBondContact OG1-NH2 3.22Å; W104-R113 HydrophobicContact CH2-CB 4.09Å; W104-R113 HydrophobicContact CZ3-CB 3.98Å; R113-G115 WeakPolarHBondContact CD-O 3.4Å; R113-G115 WeakPolarHBondContact CG-O 3.27Å; R113-G115 PolarHBondContact NE-O 2.04Å; R113-G118 WeakPolarHBondContact CD-O 3.2Å; R113-G118 VanDerWaalsContact CG-O 3.29Å; R113-G118 WeakPolarHBondContact CG-O 3.01Å
114I97.1Very high96.4Very high75 Ų7546.7 Ų46.739%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-109.8127.6170.6-65.7171.3000108.3F20 F24 P98 E100 L101 Y112 G118F20-I114 HydrophobicContact CZ-CD1 4.34Å; F24-I114 HydrophobicContact CZ-CD1 4.21Å; P98-I114 HydrophobicContact CB-CG1 4.47Å; P98-I114 HydrophobicContact CB-CG2 4.12Å; P98-I114 HydrophobicContact CG-CD1 4.18Å; P98-I114 HydrophobicContact CG-CG1 4.44Å; E100-I114 CarbonylContact O-C 3.47Å; E100-I114 WeakPolarHBondContact O-CA 3.31Å; L101-I114 HydrophobicContact CD1-CG1 3.87Å; Y112-I114 HydrophobicContact CD2-CD1 4.21Å; Y112-I114 HydrophobicContact CD2-CG1 3.96Å; Y112-I114 HydrophobicContact CE2-CD1 3.89Å; Y112-I114 HydrophobicContact CE2-CG1 4.06Å; I114-G118 VanDerWaalsContact O-CA 3.25Å; I114-G118 WeakPolarHBondContact O-CA 3.36Å
115G95.4Very high96.3Very high27 Ų2752.5 Ų52.528%0.27828%0.282SS..SBendtrans83.7158.7-170.900000113.1E100 R113 G118E100-G115 PolarHBondContact O-N 3.06Å; R113-G115 WeakPolarHBondContact CD-O 3.4Å; R113-G115 WeakPolarHBondContact CG-O 3.27Å; R113-G115 PolarHBondContact NE-O 2.04Å; G115-G118 PolarHBondContact O-N 3.43Å
116E89.1Confident95.9Very high144 Ų14454.4 Ų54.467%0.67330%0.295SS*.THydrogen-bonded Turntrans-64.9-45.6177.1-64-171.615400111.1G118E116-G118 VanDerWaalsContact C-N 3.32Å; E116-G118 PolarHBondContact O-N 3.28Å
117D91.6Very high95.1Very high164 Ų16462.6 Ų62.688%0.87733%0.334SS*.THydrogen-bonded Turntrans-92.815.7177.8-58.4-47.3000113.4
118G93.6Very high93.8Very high24 Ų2465 Ų6525%0.24735%0.349CS..PPolyproline II helixtrans-64149.3179.600000113R113 I114 G115 E116R113-G118 WeakPolarHBondContact CD-O 3.2Å; R113-G118 VanDerWaalsContact CG-O 3.29Å; R113-G118 WeakPolarHBondContact CG-O 3.01Å; I114-G118 VanDerWaalsContact O-CA 3.25Å; I114-G118 WeakPolarHBondContact O-CA 3.36Å; G115-G118 PolarHBondContact O-N 3.43Å; E116-G118 VanDerWaalsContact C-N 3.32Å; E116-G118 PolarHBondContact O-N 3.28Å
119S95.8Very high92.2Very high97 Ų9765.7 Ų65.768%0.67836%0.362SS*.PPolyproline II helixtrans-70.3147.9166.1-67.10000111
120I96.8Very high90.1Very high49 Ų4970.4 Ų70.425%0.25139%0.394SS..EExtended strand (participates in β ladder)trans-80.9123.4171.4-61175.8000108.4W104 Y112 K157W104-I120 HydrophobicContact CZ3-CG1 4.42Å; Y112-I120 CarbonylContact O-C 3.52Å; Y112-I120 WeakPolarHBondContact O-CA 3.04Å; I120-K157 HydrophobicContact CG2-CD 4.21Å; I120-K157 HydrophobicContact CG2-CG 4.28Å
121C96.9Very high87.8Confident50 Ų5075.2 Ų75.234%0.33842%0.423SS..EExtended strand (participates in β ladder)trans-111.5143176.4-67.10000110.4S111 Y112S111-C121 CarbonylContact C-O 3.56Å; S111-C121 WeakPolarHBondContact CA-O 3.3Å; S111-C121 VanDerWaalsContact CB-O 3.29Å; S111-C121 WeakPolarHBondContact CB-O 3.33Å; Y112-C121 HydrophobicContact CD1-CB 4.07Å; Y112-C121 HydrophobicContact CE1-CB 3.47Å; Y112-C121 VanDerWaalsContact CE1-CB 3.47Å; Y112-C121 HydrophobicContact CE2-CB 4.1Å; Y112-C121 VanDerWaalsContact CZ-CB 3.49Å; Y112-C121 PolarHBondContact N-O 2.7Å; Y112-C121 PolarHBondContact O-N 3.09Å
122V97.7Very high85.4Confident64 Ų6478.4 Ų78.439%0.38846%0.457SS..EExtended strand (participates in β ladder)trans-91.5126.9174.6-179.10000109.2E109 Y124 E125E109-V122 HydrophobicContact CG-CG1 4.49Å; V122-Y124 WeakPolarHBondContact CG1-O 3.24Å; V122-E125 HydrophobicContact CG1-CB 3.93Å
123L97.3Very high82.8Confident51 Ų5183.8 Ų83.827%0.26749%0.486SS..EExtended strand (participates in β ladder)trans-98.1-36.6177.7-171.9104.9000111.6A16 F20 V110 Y112A16-L123 HydrophobicContact CB-CD2 3.63Å; A16-L123 WeakPolarHBondContact O-CD2 3.43Å; F20-L123 HydrophobicContact CB-CD1 3.65Å; F20-L123 HydrophobicContact CB-CD2 3.91Å; F20-L123 HydrophobicContact CB-CG 4.44Å; F20-L123 HydrophobicContact CD2-CD1 3.33Å; F20-L123 HydrophobicContact CE2-CD1 4.07Å; F20-L123 HydrophobicContact CG-CD1 3.6Å; V110-L123 HydrophobicContact CB-CB 4.35Å; V110-L123 HydrophobicContact CB-CD2 4.34Å; V110-L123 HydrophobicContact CG1-CB 4.21Å; V110-L123 HydrophobicContact CG1-CD2 3.88Å; V110-L123 WeakPolarHBondContact O-CA 3.46Å; V110-L123 WeakPolarHBondContact O-CB 3.4Å; V110-L123 PolarHBondContact O-N 2.65Å; Y112-L123 HydrophobicContact CD1-CB 4.24Å; Y112-L123 HydrophobicContact CD1-CD1 4.37Å; Y112-L123 HydrophobicContact CE1-CB 4.49Å; Y112-L123 HydrophobicContact CE1-CD1 4.23Å
124Y97.3Very high80.1Confident62 Ų6285.9 Ų85.924%0.24351%0.507CS..EExtended strand (participates in β ladder)trans-144.6140.5178171.2-90000109.2P12 E13 A16 E109 V110 V122 S126P12-Y124 HydrophobicContact CB-CE2 4.06Å; E13-Y124 HydrophobicContact CG-CD1 3.9Å; E13-Y124 HydrophobicContact CG-CE1 3.71Å; A16-Y124 HydrophobicContact CB-CD2 4.46Å; A16-Y124 HydrophobicContact CB-CG 4.25Å; E109-Y124 CarbonylContact C-O 3.6Å; E109-Y124 WeakPolarHBondContact CA-O 3.36Å; V110-Y124 HydrophobicContact CG2-CD1 4.25Å; V110-Y124 HydrophobicContact CG2-CG 4.48Å; V110-Y124 PolarHBondContact N-O 2.76Å; V110-Y124 PolarHBondContact O-N 3.02Å; V110-Y124 VanDerWaalsContact O-N 3.1Å; V122-Y124 WeakPolarHBondContact CG1-O 3.24Å; Y124-S126 WeakPolarHBondContact CE1-OG 2.98Å; Y124-S126 VanDerWaalsContact OH-CB 3.32Å; Y124-S126 WeakPolarHBondContact OH-CB 3.37Å; Y124-S126 PolarHBondContact OH-OG 3.33Å
125E95.1Very high77.7Confident138 Ų13891.1 Ų91.165%0.64554%0.535SS*.EExtended strand (participates in β ladder)trans-147.5140.7173.6-173170-153.100109.2F108 V122F108-E125 CarbonylContact O-C 3.55Å; F108-E125 VanDerWaalsContact O-CA 3.3Å; F108-E125 WeakPolarHBondContact O-CA 3.26Å; V122-E125 HydrophobicContact CG1-CB 3.93Å
126S90.8Very high75Confident40 Ų4094.9 Ų94.928%0.2856%0.557SS.*  trans-144.4157.8175.559.20000110.3F108 Y124F108-S126 WeakPolarHBondContact CA-OG 3.45Å; F108-S126 WeakPolarHBondContact CB-O 3.3Å; F108-S126 PolarHBondContact O-N 3.32Å; Y124-S126 WeakPolarHBondContact CE1-OG 2.98Å; Y124-S126 VanDerWaalsContact OH-CB 3.32Å; Y124-S126 WeakPolarHBondContact OH-CB 3.37Å; Y124-S126 PolarHBondContact OH-OG 3.33Å
127Q80.7Confident73.4Confident176 Ų17692.8 Ų92.882%0.82257%0.565SS**  trans-87.8144.2172.7-67-171.94.100111.1G129Q127-G129 PolarHBondContact O-N 3.28Å; Q127-G129 VanDerWaalsContact O-N 3.14Å
128P69.3Low71.1Confident52 Ų5289.9 Ų89.934%0.33856%0.557SS.*  trans-65.3112168.5-7.721.7000109.1C5 F108C5-P128 WeakPolarHBondContact SG-CB 3.45Å; F108-P128 HydrophobicContact CD2-CB 4.34Å; F108-P128 HydrophobicContact CD2-CG 4Å; F108-P128 HydrophobicContact CE1-CB 4.17Å; F108-P128 HydrophobicContact CE2-CB 3.86Å; F108-P128 HydrophobicContact CE2-CG 3.96Å; F108-P128 HydrophobicContact CG-CG 4.38Å; F108-P128 HydrophobicContact CZ-CB 3.76Å; F108-P128 HydrophobicContact CZ-CG 4.32Å
129G60.4Low68.5Low35 Ų3594.4 Ų94.436%0.36159%0.585SS.*PPolyproline II helixtrans-73.9147.2-179.900000112.5A6 Q127A6-G129 WeakPolarHBondContact CB-O 3.33Å; Q127-G129 PolarHBondContact O-N 3.28Å; Q127-G129 VanDerWaalsContact O-N 3.14Å
130P52.8Low66Low118 Ų11894 Ų9477%0.76659%0.587SS**PPolyproline II helixtrans-65.2139.4168.625.7-30.7000110.6G132P130-G132 PolarHBondContact O-N 2.86Å
131V50.3Low63.1Low100 Ų100100.4 Ų100.461%0.60662%0.621SS**THydrogen-bonded Turntrans-69.5120.6-178.9-164.30000109.7L4 A6L4-V131 WeakPolarHBondContact O-CG2 3.33Å; A6-V131 HydrophobicContact CB-CG2 3.93Å
132G48.7Very low60Low71 Ų71101.8 Ų101.873%0.73264%0.644SS**THydrogen-bonded Turntrans132.1-0.9165.800000117.8P130P130-G132 PolarHBondContact O-N 2.86Å
133M43Very low57.4Low163 Ų163108.4 Ų108.480%0.80367%0.67SS**  trans-98.9129.7171.6-81.5-100.3100.800110.5
134P42.9Very low54.3Low104 Ų104109.3 Ų109.368%0.67569%0.691SS**  trans-65.5138.8170.727.4-27.8000108.8S136P134-S136 PolarHBondContact O-N 3.15Å
135L45.2Very low51.9Low184 Ų184111.9 Ų111.996%0.96372%0.719SS**  trans-65.491.1177.5-70.4163.9000109.8
136S39.2Very low49Very low107 Ų107111.8 Ų111.875%0.74873%0.727SS**  trans-86.2111.7161.546.60000108.8P134 S138P134-S136 PolarHBondContact O-N 3.15Å; S136-S138 PolarHBondContact O-N 3.34Å
137A55.3Low46.8Very low100 Ų100113.4 Ų113.483%0.82675%0.751SS**  trans-65.3120.9166.900000109
138S43.4Very low44.5Very low103 Ų103110.1 Ų110.172%0.7275%0.747SS**  trans-161.7113.5161.7-74.90000112.1S136S136-S138 PolarHBondContact O-N 3.34Å
139S39Very low42.8Very low118 Ų118116.2 Ų116.283%0.82577%0.773SS**  trans44.9138.1133.157.10000122.7
140A44.7Very low41.6Very low88 Ų88121.1 Ų121.173%0.72780%0.796SS**  trans-54.5163.217400000117.1
141L34.4Very low40.7Very low184 Ų184122.4 Ų122.496%0.96380%0.796SS**  trans105.2122.1160.3-61.6166.3000116.2
142G31.8Very low40.2Very low80 Ų80121.9 Ų121.983%0.82580%0.797SS**  trans152.599160.900000114.9
143H44.7Very low40.2Very low203 Ų203123.9 Ų123.994%0.9479%0.787SS**  trans-64.7138.1171.3-159.585.2000111.2
144G30.3Very low40.5Very low69 Ų69121.8 Ų121.871%0.71178%0.778SS**  trans-176.394.717500000112.5V146G144-V146 PolarHBondContact O-N 3.3Å
145S48.4Very low41.3Very low117 Ų117118.6 Ų118.682%0.81876%0.759SS**  trans-69.7114.8169.5178.70000109.9
146V33.9Very low41.9Very low135 Ų135110.6 Ų110.682%0.81872%0.718SS**  trans-140114.7156.3177.40000107G144G144-V146 PolarHBondContact O-N 3.3Å
147G44.8Very low42.8Very low75 Ų75107.2 Ų107.277%0.77369%0.69SS**  trans-63.4134.8175.400000111.3
148S31.2Very low42.9Very low107 Ų107107 Ų10775%0.74867%0.672SS**  trans-151.2114.9163.7-173.70000109.6
149M35Very low43.4Very low180 Ų180107.4 Ų107.489%0.88766%0.662SS**  trans27.9117155.3-49.2-146.1-139.400118.3D151M149-D151 VanDerWaalsContact C-N 3.35Å; M149-D151 PolarHBondContact O-N 2.74Å
150V34.8Very low44.1Very low138 Ų138106.2 Ų106.284%0.83665%0.645SS**  trans-58.491.5164.1-70.30000110.1S152V150-S152 PolarHBondContact O-N 3.15Å
151D32.7Very low44.6Very low144 Ų144109.1 Ų109.177%0.7764%0.637SS**  trans-71.7106.5152.3-163.16.7000105M149 H153M149-D151 VanDerWaalsContact C-N 3.35Å; M149-D151 PolarHBondContact O-N 2.74Å; D151-H153 PolarHBondContact O-N 2.64Å
152S39.9Very low45.4Very low90 Ų90105.8 Ų105.863%0.62962%0.624SS**  trans-68.170.7-177.6-63.50000109.4V150 L154V150-S152 PolarHBondContact O-N 3.15Å; S152-L154 PolarHBondContact O-N 3.06Å
153H48.9Very low46.2Very low113 Ų113107.4 Ų107.452%0.52361%0.613SS.*  trans-67.686.5160.4-131.4-93.9000105.2D151 S155D151-H153 PolarHBondContact O-N 2.64Å; H153-S155 PolarHBondContact O-N 3.28Å
154L50.8Low46.1Very low118 Ų118100.9 Ų100.962%0.61860%0.6SS**  trans-55.297.7168.6-74.2158.9000105.8S152 C156 E158S152-L154 PolarHBondContact O-N 3.06Å; L154-C156 PolarHBondContact O-N 3.4Å; L154-E158 HydrophobicContact CD2-CB 3.88Å; L154-E158 HydrophobicContact CD2-CG 3.87Å
155S59.7Low46.9Very low37 Ų37108.4 Ų108.426%0.25961%0.607SS.*  trans-50.7135165.8171.90000105.6E109 H153 K157 E158E109-S155 PolarHBondContact OE2-OG 2.84Å; H153-S155 PolarHBondContact O-N 3.28Å; S155-K157 PolarHBondContact O-N 3.44Å; S155-K157 WeakPolarHBondContact OG-CD 3.47Å; S155-K157 WeakPolarHBondContact OG-CG 3.37Å; S155-K157 PolarHBondContact OG-NZ 3.34Å; S155-E158 PolarHBondContact O-N 3.06Å
156C57.7Low46.3Very low17 Ų17108.5 Ų108.512%0.11560%0.603CS.*Hα-helixtrans-55.1-15.1-174.2-47.50000112.9C61 L154 E158 E159 M160C61-C156 WeakPolarHBondContact CA-SG 3.23Å; C61-C156 HydrophobicContact CB-CB 3.84Å; C61-C156 WeakPolarHBondContact CB-SG 3.5Å; C61-C156 PolarHBondContact N-SG 2.89Å; C61-C156 VanDerWaalsContact N-SG 3.43Å; C61-C156 WeakPolarHBondContact SG-CA 3.32Å; C61-C156 WeakPolarHBondContact SG-CB 3.3Å; C61-C156 CovalentContact SG-SG 2.04Å; C61-C156 PolarHBondContact SG-SG 3.36Å; L154-C156 PolarHBondContact O-N 3.4Å; C156-E158 VanDerWaalsContact C-N 3.31Å; C156-E158 PolarHBondContact O-N 3.1Å; C156-E159 PolarHBondContact O-N 2.89Å; C156-M160 PolarHBondContact O-N 3.04Å
157K57.7Low46.3Very low35 Ų35107.4 Ų107.415%0.15260%0.601CS.*Hα-helixtrans-50.4-41.2165.6-63.1-178.7-176.9110.20114.2E109 I120 S155 R161E109-K157 WeakPolarHBondContact OE1-CE 3.39Å; E109-K157 IonicContact OE1-NZ 3.1Å; E109-K157 PolarHBondContact OE1-NZ 3.26Å; E109-K157 IonicContact OE2-NZ 2.81Å; E109-K157 PolarHBondContact OE2-NZ 3Å; I120-K157 HydrophobicContact CG2-CD 4.21Å; I120-K157 HydrophobicContact CG2-CG 4.28Å; S155-K157 PolarHBondContact O-N 3.44Å; S155-K157 WeakPolarHBondContact OG-CD 3.47Å; S155-K157 WeakPolarHBondContact OG-CG 3.37Å; S155-K157 PolarHBondContact OG-NZ 3.34Å; K157-R161 WeakPolarHBondContact O-CG 3.4Å; K157-R161 PolarHBondContact O-N 3.31Å
158E56.9Low45.8Very low95 Ų95110.1 Ų110.144%0.44461%0.605SS.*Hα-helixtrans-75.5-41.6-176.5-151.270.6-169.600111L154 S155 C156 M160 R161 V162L154-E158 HydrophobicContact CD2-CB 3.88Å; L154-E158 HydrophobicContact CD2-CG 3.87Å; S155-E158 PolarHBondContact O-N 3.06Å; C156-E158 VanDerWaalsContact C-N 3.31Å; C156-E158 PolarHBondContact O-N 3.1Å; E158-M160 PolarHBondContact O-N 3.08Å; E158-R161 PolarHBondContact O-N 3.07Å; E158-R161 IonicContact OE2-NH1 2.8Å; E158-R161 PolarHBondContact OE2-NH1 3.49Å; E158-V162 WeakPolarHBondContact O-CG2 3.22Å; E158-V162 PolarHBondContact O-N 3.22Å
159E53.9Low46Very low112 Ų112110.1 Ų110.152%0.52361%0.606SS.*Hα-helixtrans-65.3-38.2179.6-151.6-173.8177.500112C156 V162 L163C156-E159 PolarHBondContact O-N 2.89Å; E159-V162 PolarHBondContact O-N 3.03Å; E159-L163 HydrophobicContact CG-CD1 4.46Å; E159-L163 PolarHBondContact O-N 3.13Å; E159-L163 VanDerWaalsContact O-N 3.1Å
160M53.5Low46.3Very low93 Ų93111.8 Ų111.846%0.45861%0.608SS.*Hα-helixtrans-71.4-30.3176-76.5-83-76.800113.4W104 C156 E158 V162 G164W104-M160 HydrophobicContact CZ2-CE 3.66Å; C156-M160 PolarHBondContact O-N 3.04Å; E158-M160 PolarHBondContact O-N 3.08Å; M160-V162 VanDerWaalsContact C-N 3.29Å; M160-G164 PolarHBondContact O-N 2.93Å
161R55.3Low46.4Very low150 Ų150109.1 Ų109.157%0.56660%0.6SS**Hα-helixtrans-66.5-33.8171-77.6176.3-179.8133.70.3111.9K157 E158K157-R161 WeakPolarHBondContact O-CG 3.4Å; K157-R161 PolarHBondContact O-N 3.31Å; E158-R161 PolarHBondContact O-N 3.07Å; E158-R161 IonicContact OE2-NH1 2.8Å; E158-R161 PolarHBondContact OE2-NH1 3.49Å
162V50.9Low46.5Very low114 Ų114112.3 Ų112.369%0.69160%0.603SS**Hα-helixtrans-74.1-37.8178.8176.10000111.3E158 E159 M160E158-V162 WeakPolarHBondContact O-CG2 3.22Å; E158-V162 PolarHBondContact O-N 3.22Å; E159-V162 PolarHBondContact O-N 3.03Å; M160-V162 VanDerWaalsContact C-N 3.29Å
163L50Low46.3Very low114 Ų114115.6 Ų115.660%0.59761%0.613SS**Hα-helixtrans-84.8-13.7-179.7-69163.7000114.3E159 R165E159-L163 HydrophobicContact CG-CD1 4.46Å; E159-L163 PolarHBondContact O-N 3.13Å; E159-L163 VanDerWaalsContact O-N 3.1Å; L163-R165 PolarHBondContact O-N 2.81Å; L163-R165 VanDerWaalsContact O-N 3.13Å
164G42.9Very low45.9Very low65 Ų65116.9 Ų116.967%0.6762%0.624SS**THydrogen-bonded Turntrans-72.96.1-178.200000116.6M160M160-G164 PolarHBondContact O-N 2.93Å
165R45.7Very low45.5Very low227 Ų227119.1 Ų119.186%0.85763%0.633SS**THydrogen-bonded Turntrans-107.23.8-178.3-76.2-171.2172.3-175.1-1.3115.9L163L163-R165 PolarHBondContact O-N 2.81Å; L163-R165 VanDerWaalsContact O-N 3.13Å
166T37.2Very low44.8Very low120 Ų120125.9 Ų125.974%0.73666%0.663SS**  trans-125.571.517966.10000112.2
167S32.8Very low44.2Very low111 Ų111131 Ų13178%0.77669%0.694SS**  trans-94.4122.4149.2-76.70000107.2S169S167-S169 PolarHBondContact O-N 3.13Å
168P33.7Very low43.4Very low132 Ų132135.8 Ų135.886%0.85773%0.726SS**  trans-71.2100.9173.57.54.2000108.4K170P168-K170 PolarHBondContact O-N 3Å
169S36.5Very low42.6Very low108 Ų108136.7 Ų136.776%0.75574%0.743SS**  trans-64.4121.9163.946.80000108.4S167 A171S167-S169 PolarHBondContact O-N 3.13Å; S169-A171 PolarHBondContact O-N 3.35Å
170K39.9Very low42Very low214 Ų214142.8 Ų142.893%0.9378%0.779SS**  trans-47.4111.9170.9-79.2174.3173.6174.90110.2P168P168-K170 PolarHBondContact O-N 3Å
171A37.4Very low41.4Very low82 Ų82145.3 Ų145.368%0.67880%0.795SS**  trans-99.410416500000108.5S169S169-A171 PolarHBondContact O-N 3.35Å
172Y35Very low40.7Very low212 Ų212145 Ų14583%0.83181%0.807SS**  trans-129.793.7150.7-97.2-80000107.6
173N36.5Very low40.1Very low158 Ų158146.7 Ų146.785%0.84581%0.813SS**  trans-79.7101.4160.8-75.4-27.3000107.4
174N41Very low39.5Very low140 Ų140148.6 Ų148.675%0.74983%0.826SS**  trans-110.390.5162-75.631.5000108.7
175M42.5Very low39.3Very low165 Ų165153.9 Ų153.981%0.81384%0.836SS**  trans-36.5131.4163.4-176.3167.349.800113.2
176M42.9Very low38.9Very low180 Ų180149 Ų14989%0.88783%0.834SS**  trans-62.5127.1161.7-77.9158.2168.700110.1
177T46.6Very low39Very low125 Ų125151.1 Ų151.177%0.76784%0.841SS**  trans-142.3107.7145.844.60000108.9
178V41.3Very low39.5Very low134 Ų134154.2 Ų154.281%0.81285%0.847SS**  trans-76.5134.8159.7-1780000107.1
179S38.6Very low39.9Very low114 Ų114156 Ų15680%0.79785%0.846SS**  trans-155.4139.3156.5-740000109.4
180N40.9Very low40.3Very low240 Ų240160.4 Ų160.4100%1.28385%0.854SS**  trans-49.30-167.1-73.8-7.8000117.4

Retrieved 180 of 180 residues in 392.3 ms (Link to these results)

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