A0A060D2G0_MAIZE Loading...

MYB-related transcription factor

AlphaFold DB , UniProt , Accession A0A060D2G0, Species MAIZE (Zea mays, Maize), Gene MYBR89, Length 87 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
1M36.7Very low46.1Very low245 Ų245156.8 Ų156.8100%1.20782%0.818SS**  0105.90-69.8158.796.200106.2
2S40.3Very low46.5Very low121 Ų121153.8 Ų153.885%0.84680%0.803SS**  trans-89.6105.7-176.5-53.30000108.9
3E36.7Very low47.2Very low177 Ų177145.7 Ų145.783%0.82777%0.765SS**  trans-122.174.8157.4-71.3-151.7149.100108.8R5E3-R5 PolarHBondContact O-N 3.48Å
4S43.7Very low48Very low124 Ų124139.4 Ų139.487%0.86773%0.732SS**  trans-79.379.2158.3-59.40000108.1
5R44.4Very low49.2Very low224 Ų224136.3 Ų136.385%0.84573%0.725SS**  trans-146.7120.4165.8-60.6176.992.51783.6105E3E3-R5 PolarHBondContact O-N 3.48Å
6S50Low51.4Low112 Ų112134.3 Ų134.378%0.78371%0.714SS**  cis-153139.447.646.80000111.8
7S48.7Very low53.8Low103 Ų103128.3 Ų128.372%0.7268%0.68SS**  trans16.7121.4149.2-57.80000116.7R9S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.81Å
8F49.9Very low55.9Low209 Ų209124.2 Ų124.292%0.91766%0.663SS**  trans-26.5102.8142.6-56.5-88.2000108.1N10F8-N10 PolarHBondContact O-N 2.68Å
9R52.9Low57.8Low187 Ų187128 Ų12871%0.70667%0.673SS**  trans-46136.9168.4-87.3-173.3-100.3161.6-7.9105.3S7 V11S7-R9 VanDerWaalsContact C-N 3.32Å; S7-R9 PolarHBondContact O-N 2.81Å; R9-V11 WeakPolarHBondContact O-CG2 3.43Å; R9-V11 PolarHBondContact O-N 3.49Å
10N51.2Low59.7Low103 Ų103129.8 Ų129.855%0.55168%0.675SS**  trans-61.568.4-166.3-165.4-10.4000112.4F8 N12 T13F8-N10 PolarHBondContact O-N 2.68Å; N10-N12 PolarHBondContact O-N 3.18Å; N10-T13 WeakPolarHBondContact ND2-CG2 3.32Å; N10-T13 PolarHBondContact O-N 2.97Å; N10-T13 PolarHBondContact O-OG1 3.27Å; N10-T13 WeakPolarHBondContact OD1-CG2 3.26Å; N10-T13 PolarHBondContact OD1-N 3.17Å; N10-T13 PolarHBondContact OD1-OG1 3.33Å
11V52.7Low61.3Low120 Ų120125.4 Ų125.473%0.72765%0.651SS**Hα-helixtrans-64.9-13.6179.6-169.10000110R9R9-V11 WeakPolarHBondContact O-CG2 3.43Å; R9-V11 PolarHBondContact O-N 3.49Å
12N51.2Low64.1Low120 Ų120115.8 Ų115.864%0.64261%0.605SS**Hα-helixtrans-86.3-15.2-174.9-150.535.8000113.8N10 C15N10-N12 PolarHBondContact O-N 3.18Å; N12-C15 WeakPolarHBondContact O-CB 3.38Å
13T54.8Low66.7Low49 Ų49116 Ų11630%0.30159%0.59SS.*Hα-helixtrans-77.9-36178.238.20000112.9N10 C15 N16 I62N10-T13 WeakPolarHBondContact ND2-CG2 3.32Å; N10-T13 PolarHBondContact O-N 2.97Å; N10-T13 PolarHBondContact O-OG1 3.27Å; N10-T13 WeakPolarHBondContact OD1-CG2 3.26Å; N10-T13 PolarHBondContact OD1-N 3.17Å; N10-T13 PolarHBondContact OD1-OG1 3.33Å; T13-C15 VanDerWaalsContact C-N 3.28Å; T13-C15 PolarHBondContact O-N 3.42Å; T13-N16 PolarHBondContact O-N 3.49Å; T13-I62 VanDerWaalsContact OG1-CD1 3.24Å; T13-I62 WeakPolarHBondContact OG1-CD1 3.37Å
14D59.6Low69.5Low58 Ų58110.4 Ų110.431%0.3157%0.566SS.*Hα-helixtrans-72.1-24.1178.4-58.6-43000112.8N16 W17 H59 I62D14-N16 PolarHBondContact O-N 3.44Å; D14-W17 PolarHBondContact O-N 3.09Å; D14-W17 VanDerWaalsContact O-N 3.07Å; D14-H59 IonicContact OD1-ND1 3.95Å; D14-I62 WeakPolarHBondContact OD1-CG2 3.15Å
15C65.1Low72Confident92 Ų92104.5 Ų104.562%0.62253%0.525SS*.THydrogen-bonded Turntrans-51.4-28.1173.31740000112.8N12 T13 W17N12-C15 WeakPolarHBondContact O-CB 3.38Å; T13-C15 VanDerWaalsContact C-N 3.28Å; T13-C15 PolarHBondContact O-N 3.42Å; C15-W17 VanDerWaalsContact C-N 3.27Å; C15-W17 PolarHBondContact O-N 3.28Å
16N84.9Confident74.4Confident104 Ų10498.4 Ų98.456%0.55651%0.506SS*.THydrogen-bonded Turntrans-81.73.4-177.1-65-38.3000114.7T13 D14 K51T13-N16 PolarHBondContact O-N 3.49Å; D14-N16 PolarHBondContact O-N 3.44Å; N16-K51 PolarHBondContact O-NZ 2.81Å
17W91.4Very high76.6Confident33 Ų3398.2 Ų98.213%0.12549%0.492CS..  trans-115.8111.8-179.9-7485.6000111.5D14 C15 E21 F25 M47 K51 V56 H59D14-W17 PolarHBondContact O-N 3.09Å; D14-W17 VanDerWaalsContact O-N 3.07Å; C15-W17 VanDerWaalsContact C-N 3.27Å; C15-W17 PolarHBondContact O-N 3.28Å; W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.15Å; W17-F25 HydrophobicContact CH2-CB 4.13Å; W17-F25 HydrophobicContact CH2-CD2 4.08Å; W17-F25 HydrophobicContact CH2-CG 4.27Å; W17-F25 HydrophobicContact CZ3-CB 3.64Å; W17-F25 HydrophobicContact CZ3-CD2 4.43Å; W17-F25 HydrophobicContact CZ3-CG 4.16Å; W17-M47 HydrophobicContact CE3-CE 4.46Å; W17-M47 HydrophobicContact CH2-CE 3.54Å; W17-M47 HydrophobicContact CH2-SD 4.17Å; W17-M47 HydrophobicContact CZ3-CE 3.3Å; W17-M47 HydrophobicContact CZ3-SD 4.29Å; W17-K51 HydrophobicContact CH2-CB 4.19Å; W17-K51 HydrophobicContact CH2-CD 4.45Å; W17-K51 HydrophobicContact CH2-CG 3.72Å; W17-K51 HydrophobicContact CZ2-CB 4.41Å; W17-K51 HydrophobicContact CZ2-CD 4.21Å; W17-K51 HydrophobicContact CZ2-CG 3.93Å; W17-K51 HydrophobicContact CZ3-CG 4.14Å; W17-V56 HydrophobicContact CH2-CG2 4.33Å; W17-H59 AromaticContact CD1-CE1 3.7Å; W17-H59 AromaticContact CD1-CG 3.96Å; W17-H59 AromaticContact CD1-ND1 3.34Å; W17-H59 VanDerWaalsContact CD1-ND1 3.34Å; W17-H59 AromaticContact CD2-CD2 3.96Å; W17-H59 AromaticContact CD2-CE1 4Å; W17-H59 AromaticContact CD2-CG 3.95Å; W17-H59 AromaticContact CD2-ND1 3.96Å; W17-H59 AromaticContact CD2-NE2 3.98Å; W17-H59 AromaticContact CE2-CD2 3.83Å; W17-H59 AromaticContact CE2-CG 3.45Å; W17-H59 VanDerWaalsContact CE2-CG 3.45Å; W17-H59 AromaticContact CE2-ND1 3.7Å; W17-H59 AromaticContact CG-CE1 3.7Å; W17-H59 AromaticContact CG-ND1 3.77Å; W17-H59 HydrophobicContact CH2-CB 4.43Å; W17-H59 HydrophobicContact CZ2-CB 3.6Å; W17-H59 AromaticContact CZ2-CD2 3.98Å; W17-H59 AromaticContact CZ2-CG 3.72Å; W17-H59 AromaticContact NE1-CG 3.47Å; W17-H59 AromaticContact NE1-ND1 3.29Å; W17-H59 PolarHBondContact NE1-ND1 2.92Å
18S92.3Very high78.9Confident55 Ų5593.6 Ų93.639%0.38546%0.461SS..  trans-66.8155.4169.969.40000110.9K20 E21 N22S18-K20 PolarHBondContact O-N 3.49Å; S18-K20 VanDerWaalsContact O-N 3.11Å; S18-E21 VanDerWaalsContact CB-OE2 3.24Å; S18-E21 WeakPolarHBondContact CB-OE2 3.3Å; S18-E21 PolarHBondContact N-OE2 3.47Å; S18-E21 PolarHBondContact O-N 3.21Å; S18-E21 VanDerWaalsContact OG-CD 3.32Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.35Å; S18-E21 PolarHBondContact OG-N 2.77Å; S18-E21 PolarHBondContact OG-OE2 3.22Å; S18-N22 PolarHBondContact O-N 2.96Å
19K92.7Very high81.1Confident196 Ų19685.1 Ų85.185%0.85243%0.425SS*.Hα-helixtrans-52.9-35.3174.4-67.3-179.6179.5178.90112.7K23K19-K23 WeakPolarHBondContact O-CB 3.4Å; K19-K23 PolarHBondContact O-N 3.17Å
20K94.2Very high83Confident164 Ų16480 Ų8071%0.71342%0.422SS*.Hα-helixtrans-70.4-44.7178.4-175.3179.9177.1-176.60111.6S18 K23 L24S18-K20 PolarHBondContact O-N 3.49Å; S18-K20 VanDerWaalsContact O-N 3.11Å; K20-K23 PolarHBondContact O-N 3.19Å; K20-L24 WeakPolarHBondContact O-CG 3.47Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-L24 VanDerWaalsContact O-N 3.08Å
21E94.8Very high85.1Confident38 Ų3884.4 Ų84.418%0.17843%0.431CS..Hα-helixtrans-65.3-42.1176.3-70.1162.6127.200111.3W17 S18 K23 L24 F25 K51W17-E21 HydrophobicContact CE3-CB 3.72Å; W17-E21 HydrophobicContact CZ3-CB 4.15Å; S18-E21 VanDerWaalsContact CB-OE2 3.24Å; S18-E21 WeakPolarHBondContact CB-OE2 3.3Å; S18-E21 PolarHBondContact N-OE2 3.47Å; S18-E21 PolarHBondContact O-N 3.21Å; S18-E21 VanDerWaalsContact OG-CD 3.32Å; S18-E21 VanDerWaalsContact OG-CG 3.26Å; S18-E21 WeakPolarHBondContact OG-CG 3.35Å; S18-E21 PolarHBondContact OG-N 2.77Å; S18-E21 PolarHBondContact OG-OE2 3.22Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.3Å; E21-L24 PolarHBondContact O-N 3.08Å; E21-F25 WeakPolarHBondContact O-CB 3.2Å; E21-F25 PolarHBondContact O-N 3.37Å; E21-K51 WeakPolarHBondContact OE1-CE 3.4Å; E21-K51 IonicContact OE1-NZ 3.94Å
22N94.8Very high87.2Confident43 Ų4381.3 Ų81.323%0.2341%0.407CS..Hα-helixtrans-61.1-42.9177-171.770.2000111.3S18 L24 F25 E26 H59S18-N22 PolarHBondContact O-N 2.96Å; N22-L24 PolarHBondContact O-N 3.46Å; N22-F25 WeakPolarHBondContact O-CB 3.43Å; N22-F25 PolarHBondContact O-N 2.96Å; N22-E26 PolarHBondContact ND2-OE1 3.42Å; N22-E26 WeakPolarHBondContact O-CG 3.41Å; N22-E26 PolarHBondContact O-N 3.31Å; N22-H59 PolarHBondContact OD1-NE2 3.07Å
23K94.9Very high89.1Confident125 Ų12584.9 Ų84.954%0.54341%0.411SS..Hα-helixtrans-59.5-45.8174.1-175178179-177.40112.3K19 K20 E21 F25 E26 E27K19-K23 WeakPolarHBondContact O-CB 3.4Å; K19-K23 PolarHBondContact O-N 3.17Å; K20-K23 PolarHBondContact O-N 3.19Å; E21-K23 VanDerWaalsContact C-N 3.32Å; E21-K23 PolarHBondContact O-N 3.3Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 2.98Å; K23-E26 PolarHBondContact O-N 3.34Å; K23-E27 WeakPolarHBondContact CE-OE1 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.24Å; K23-E27 PolarHBondContact O-N 3.46Å
24L96Very high90.8Very high60 Ų6090.3 Ų90.331%0.31443%0.433SS..Hα-helixtrans-63.6-37.8176.8-73.3171.8000112.1K20 E21 N22 A28 M47K20-L24 WeakPolarHBondContact O-CG 3.47Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-L24 VanDerWaalsContact O-N 3.08Å; E21-L24 PolarHBondContact O-N 3.08Å; N22-L24 PolarHBondContact O-N 3.46Å; L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.35Å; L24-A28 PolarHBondContact O-N 2.97Å; L24-M47 HydrophobicContact CB-CG 4.35Å
25F95.9Very high92.4Very high0 Ų091 Ų910%046%0.455CS..Hα-helixtrans-62-48.1174.5163.9-97000111.5W17 E21 N22 K23 A28 L29 V43 M47 V56 H59 Y60 L63W17-F25 HydrophobicContact CH2-CB 4.13Å; W17-F25 HydrophobicContact CH2-CD2 4.08Å; W17-F25 HydrophobicContact CH2-CG 4.27Å; W17-F25 HydrophobicContact CZ3-CB 3.64Å; W17-F25 HydrophobicContact CZ3-CD2 4.43Å; W17-F25 HydrophobicContact CZ3-CG 4.16Å; E21-F25 WeakPolarHBondContact O-CB 3.2Å; E21-F25 PolarHBondContact O-N 3.37Å; N22-F25 WeakPolarHBondContact O-CB 3.43Å; N22-F25 PolarHBondContact O-N 2.96Å; K23-F25 VanDerWaalsContact C-N 3.31Å; K23-F25 PolarHBondContact O-N 2.98Å; F25-A28 PolarHBondContact O-N 2.91Å; F25-L29 HydrophobicContact CE1-CD2 4.31Å; F25-L29 HydrophobicContact CZ-CD2 4.29Å; F25-L29 VanDerWaalsContact O-CB 3.26Å; F25-L29 WeakPolarHBondContact O-CB 3.5Å; F25-L29 PolarHBondContact O-N 2.92Å; F25-V43 HydrophobicContact CD2-CG1 4.08Å; F25-M47 HydrophobicContact CB-CE 4.22Å; F25-M47 HydrophobicContact CB-SD 3.96Å; F25-M47 HydrophobicContact CD2-SD 4.36Å; F25-V56 HydrophobicContact CD2-CG1 3.98Å; F25-V56 HydrophobicContact CE2-CG1 3.72Å; F25-H59 AromaticContact CD1-CD2 3.63Å; F25-H59 AromaticContact CE1-CD2 3.55Å; F25-H59 AromaticContact CZ-CD2 3.84Å; F25-Y60 HydrophobicContact CZ-CD2 4.38Å; F25-L63 HydrophobicContact CE1-CD2 4.17Å
26E95.1Very high93.7Very high96 Ų9688.5 Ų88.545%0.44944%0.436SS..Hα-helixtrans-61.5-44.3177.3-71.5170.8-175.200112.1N22 K23 A28 L29 A30N22-E26 PolarHBondContact ND2-OE1 3.42Å; N22-E26 WeakPolarHBondContact O-CG 3.41Å; N22-E26 PolarHBondContact O-N 3.31Å; K23-E26 PolarHBondContact O-N 3.34Å; E26-A28 PolarHBondContact O-N 3.4Å; E26-L29 PolarHBondContact O-N 3.31Å; E26-A30 PolarHBondContact O-N 2.89Å
27E96.1Very high94.2Very high107 Ų10787.8 Ų87.850%0.544%0.438SS..Hα-helixtrans-61.1-43.6175.3-74176.7-176.600111.8K23 A30 R31K23-E27 WeakPolarHBondContact CE-OE1 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.24Å; K23-E27 PolarHBondContact O-N 3.46Å; E27-A30 PolarHBondContact O-N 3.22Å; E27-R31 PolarHBondContact O-N 2.88Å
28A96.2Very high94.4Very high7 Ų791.7 Ų91.76%0.05846%0.461CS..Hα-helixtrans-67-38.2176.400000112L24 F25 E26 A30 R31 Y32 V43 A46 M47L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.35Å; L24-A28 PolarHBondContact O-N 2.97Å; F25-A28 PolarHBondContact O-N 2.91Å; E26-A28 PolarHBondContact O-N 3.4Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.31Å; A28-R31 WeakPolarHBondContact O-CB 3.41Å; A28-R31 PolarHBondContact O-N 3.49Å; A28-Y32 WeakPolarHBondContact O-CD2 3.25Å; A28-Y32 PolarHBondContact O-N 3.08Å; A28-Y32 VanDerWaalsContact O-N 3.09Å; A28-V43 HydrophobicContact CB-CB 4.41Å; A28-V43 HydrophobicContact CB-CG1 3.87Å; A28-V43 HydrophobicContact CB-CG2 4.43Å; A28-A46 HydrophobicContact CB-CB 4.01Å; A28-M47 HydrophobicContact CB-CG 4.39Å
29L95.5Very high94.6Very high30 Ų3090.6 Ų90.616%0.15745%0.448CS..Hα-helixtrans-64.6-37.5177.4-166.771.7000111.7F25 E26 R31 Y32 W40 Y60F25-L29 HydrophobicContact CE1-CD2 4.31Å; F25-L29 HydrophobicContact CZ-CD2 4.29Å; F25-L29 VanDerWaalsContact O-CB 3.26Å; F25-L29 WeakPolarHBondContact O-CB 3.5Å; F25-L29 PolarHBondContact O-N 2.92Å; E26-L29 PolarHBondContact O-N 3.31Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 2.99Å; L29-Y32 CarbonylContact O-C 3.37Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-Y32 VanDerWaalsContact O-O 3.08Å; L29-W40 HydrophobicContact CD1-CZ3 4.07Å; L29-Y60 HydrophobicContact CD1-CD2 3.88Å; L29-Y60 HydrophobicContact CD1-CE2 4.09Å; L29-Y60 HydrophobicContact CD2-CD2 3.89Å; L29-Y60 HydrophobicContact CD2-CE2 3.97Å
30A94.7Very high94.8Very high79 Ų7984 Ų8465%0.65342%0.418SS*.Hα-helixtrans-63.6-32.6174.200000112.4E26 E27 A28E26-A30 PolarHBondContact O-N 2.89Å; E27-A30 PolarHBondContact O-N 3.22Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.31Å
31R95.1Very high95Very high196 Ų19679.7 Ų79.774%0.7440%0.402SS*.Hα-helixtrans-74.7-37.5176.9-163.4174.5-152.8165.66.3113E27 A28 L29E27-R31 PolarHBondContact O-N 2.88Å; A28-R31 WeakPolarHBondContact O-CB 3.41Å; A28-R31 PolarHBondContact O-N 3.49Å; L29-R31 VanDerWaalsContact C-N 3.26Å; L29-R31 PolarHBondContact O-N 2.99Å
32Y95.7Very high95.1Very high55 Ų5581.3 Ų81.322%0.21641%0.409CS..SBendtrans-110.986.5-177.8-54.8-65.5000110.3A28 L29 T36 R39 K42 V43 A46A28-Y32 WeakPolarHBondContact O-CD2 3.25Å; A28-Y32 PolarHBondContact O-N 3.08Å; A28-Y32 VanDerWaalsContact O-N 3.09Å; L29-Y32 CarbonylContact O-C 3.37Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-Y32 VanDerWaalsContact O-O 3.08Å; Y32-T36 HydrophobicContact CD1-CG2 4.2Å; Y32-R39 PolarHBondContact O-NE 3.05Å; Y32-R39 PolarHBondContact O-NH2 3.45Å; Y32-K42 HydrophobicContact CD1-CB 3.98Å; Y32-K42 HydrophobicContact CD1-CD 3.97Å; Y32-K42 HydrophobicContact CD2-CB 3.99Å; Y32-K42 HydrophobicContact CE1-CB 3.82Å; Y32-K42 HydrophobicContact CE1-CD 3.94Å; Y32-K42 HydrophobicContact CE1-CG 4.3Å; Y32-K42 HydrophobicContact CE2-CB 3.83Å; Y32-K42 WeakPolarHBondContact CE2-O 3.3Å; Y32-K42 HydrophobicContact CG-CB 4.05Å; Y32-V43 HydrophobicContact CD2-CG2 3.75Å; Y32-V43 HydrophobicContact CG-CG2 4.42Å; Y32-A46 HydrophobicContact CE2-CB 3.85Å
33R91.7Very high95.2Very high196 Ų19679.2 Ų79.274%0.7440%0.398SS*.  trans-65166.2-179.1-55.8-177.194.3-173.46.3111.8T36R33-T36 PolarHBondContact N-OG1 3.43Å; R33-T36 VanDerWaalsContact O-CB 3.26Å; R33-T36 WeakPolarHBondContact O-CB 3.34Å; R33-T36 PolarHBondContact O-N 3.11Å; R33-T36 PolarHBondContact O-OG1 2.87Å
34E90.7Very high95.3Very high162 Ų16273.8 Ų73.876%0.75738%0.375SS*.THydrogen-bonded Turntrans-54.5143.2172.5-168.8166.2-158.700111.5T36E34-T36 VanDerWaalsContact C-N 3.32Å
35G92.1Very high95.3Very high74 Ų7479.5 Ų79.576%0.76339%0.393SS*.THydrogen-bonded Turntrans84.3-6.6-172.100000115.3P37G35-P37 WeakPolarHBondContact O-CD 3.25Å
36T93.3Very high95.3Very high38 Ų3881.8 Ų81.823%0.23341%0.412CS..  trans-64.5124.1173.8-59.90000110.8Y32 R33 E34 R39 K42Y32-T36 HydrophobicContact CD1-CG2 4.2Å; R33-T36 PolarHBondContact N-OG1 3.43Å; R33-T36 VanDerWaalsContact O-CB 3.26Å; R33-T36 WeakPolarHBondContact O-CB 3.34Å; R33-T36 PolarHBondContact O-N 3.11Å; R33-T36 PolarHBondContact O-OG1 2.87Å; E34-T36 VanDerWaalsContact C-N 3.32Å; T36-R39 WeakPolarHBondContact O-CB 3.42Å; T36-R39 PolarHBondContact O-N 3.38Å; T36-K42 HydrophobicContact CG2-CD 3.81Å
37P95.4Very high95.3Very high90 Ų9077.6 Ų77.658%0.58439%0.392SS*.THydrogen-bonded Turntrans-60.2139.5172.2-22.332.7000110.9G35 R39 K42G35-P37 WeakPolarHBondContact O-CD 3.25Å; P37-R39 PolarHBondContact O-N 2.85Å; P37-K42 WeakPolarHBondContact O-CE 3.42Å; P37-K42 PolarHBondContact O-NZ 3.47Å
38D94.9Very high95.2Very high114 Ų11475.7 Ų75.761%0.6140%0.402SS*.THydrogen-bonded Turntrans54.433.1-179.3-52-66.4000113.6W40 L41 K42D38-W40 VanDerWaalsContact C-N 3.28Å; D38-W40 PolarHBondContact O-N 3.18Å; D38-L41 HydrophobicContact CB-CB 4.26Å; D38-L41 PolarHBondContact O-N 3.06Å; D38-L41 VanDerWaalsContact O-N 3.07Å; D38-K42 PolarHBondContact O-N 2.77Å
39R96.9Very high95Very high32 Ų3277.7 Ų77.712%0.12142%0.423CS..Hα-helixtrans-44.9-51.7-175.8-171.4-178.7-171-171.21.9112.4Y32 T36 P37 L41 K42 V43Y32-R39 PolarHBondContact O-NE 3.05Å; Y32-R39 PolarHBondContact O-NH2 3.45Å; T36-R39 WeakPolarHBondContact O-CB 3.42Å; T36-R39 PolarHBondContact O-N 3.38Å; P37-R39 PolarHBondContact O-N 2.85Å; R39-L41 PolarHBondContact O-N 2.75Å; R39-K42 PolarHBondContact O-N 2.97Å; R39-V43 HydrophobicContact CG-CG2 4.49Å; R39-V43 VanDerWaalsContact O-CG2 3.3Å; R39-V43 WeakPolarHBondContact O-CG2 3.41Å; R39-V43 PolarHBondContact O-N 3.19Å
40W97.1Very high94.8Very high59 Ų5981.4 Ų81.422%0.22344%0.442CS..Hα-helixtrans-67.9-36.4-175.4-50.9129.1000113.3L29 D38 V43 S44 A53 V56 R57 Y60L29-W40 HydrophobicContact CD1-CZ3 4.07Å; D38-W40 VanDerWaalsContact C-N 3.28Å; D38-W40 PolarHBondContact O-N 3.18Å; W40-V43 PolarHBondContact O-N 3.06Å; W40-S44 VanDerWaalsContact O-CB 3.25Å; W40-S44 WeakPolarHBondContact O-CB 3.33Å; W40-S44 PolarHBondContact O-N 3.39Å; W40-A53 HydrophobicContact CB-CB 3.99Å; W40-V56 HydrophobicContact CE3-CG1 3.7Å; W40-V56 HydrophobicContact CZ3-CG1 4.31Å; W40-R57 HydrophobicContact CD2-CB 4.04Å; W40-R57 HydrophobicContact CD2-CG 4.42Å; W40-R57 HydrophobicContact CG-CB 4Å; W40-R57 HydrophobicContact CZ2-CG 4.33Å; W40-Y60 AromaticContact CH2-CD1 3.5Å; W40-Y60 HydrophobicContact CH2-CD1 3.5Å; W40-Y60 VanDerWaalsContact CH2-CD1 3.5Å; W40-Y60 AromaticContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CE1 4.06Å; W40-Y60 HydrophobicContact CH2-CE2 4.32Å; W40-Y60 AromaticContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CZ2-CD1 4.02Å; W40-Y60 HydrophobicContact CZ2-CG 4.27Å; W40-Y60 HydrophobicContact CZ3-CD1 4.49Å; W40-Y60 HydrophobicContact CZ3-CD2 4.2Å; W40-Y60 AromaticContact CZ3-CG 3.93Å; W40-Y60 HydrophobicContact CZ3-CG 3.93Å
41L97.3Very high94.8Very high72 Ų7278.6 Ų78.638%0.37742%0.415SS..Hα-helixtrans-66.6-40.4174.2-173.564.7000110.9D38 R39 R45D38-L41 HydrophobicContact CB-CB 4.26Å; D38-L41 PolarHBondContact O-N 3.06Å; D38-L41 VanDerWaalsContact O-N 3.07Å; R39-L41 PolarHBondContact O-N 2.75Å; L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 VanDerWaalsContact O-CG 3.25Å; L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3Å
42K97.4Very high94.8Very high72 Ų7272.9 Ų72.931%0.31340%0.402SS..Hα-helixtrans-66.5-41.5176.7-71.9174.6177.4161.90112.4Y32 T36 P37 D38 R39 R45 A46Y32-K42 HydrophobicContact CD1-CB 3.98Å; Y32-K42 HydrophobicContact CD1-CD 3.97Å; Y32-K42 HydrophobicContact CD2-CB 3.99Å; Y32-K42 HydrophobicContact CE1-CB 3.82Å; Y32-K42 HydrophobicContact CE1-CD 3.94Å; Y32-K42 HydrophobicContact CE1-CG 4.3Å; Y32-K42 HydrophobicContact CE2-CB 3.83Å; Y32-K42 WeakPolarHBondContact CE2-O 3.3Å; Y32-K42 HydrophobicContact CG-CB 4.05Å; T36-K42 HydrophobicContact CG2-CD 3.81Å; P37-K42 WeakPolarHBondContact O-CE 3.42Å; P37-K42 PolarHBondContact O-NZ 3.47Å; D38-K42 PolarHBondContact O-N 2.77Å; R39-K42 PolarHBondContact O-N 2.97Å; K42-R45 PolarHBondContact O-N 2.58Å; K42-A46 WeakPolarHBondContact O-CB 3.33Å; K42-A46 PolarHBondContact O-N 3.42Å
43V97.2Very high94.8Very high0 Ų071.7 Ų71.70%040%0.403CS..Hα-helixtrans-63.8-50.5175.1171.50000110.4F25 A28 Y32 R39 W40 R45 A46 M47 V56F25-V43 HydrophobicContact CD2-CG1 4.08Å; A28-V43 HydrophobicContact CB-CB 4.41Å; A28-V43 HydrophobicContact CB-CG1 3.87Å; A28-V43 HydrophobicContact CB-CG2 4.43Å; Y32-V43 HydrophobicContact CD2-CG2 3.75Å; Y32-V43 HydrophobicContact CG-CG2 4.42Å; R39-V43 HydrophobicContact CG-CG2 4.49Å; R39-V43 VanDerWaalsContact O-CG2 3.3Å; R39-V43 WeakPolarHBondContact O-CG2 3.41Å; R39-V43 PolarHBondContact O-N 3.19Å; W40-V43 PolarHBondContact O-N 3.06Å; V43-R45 VanDerWaalsContact C-N 3.31Å; V43-R45 PolarHBondContact O-N 3.06Å; V43-A46 PolarHBondContact O-N 3.04Å; V43-A46 VanDerWaalsContact O-N 3.08Å; V43-M47 HydrophobicContact CG1-SD 3.99Å; V43-M47 WeakPolarHBondContact O-CG 3.29Å; V43-M47 PolarHBondContact O-N 3.2Å; V43-V56 HydrophobicContact CB-CG1 3.88Å; V43-V56 HydrophobicContact CG1-CG1 3.39Å; V43-V56 HydrophobicContact CG1-CG2 4.32Å
44S96.6Very high95Very high11 Ų1166.2 Ų66.28%0.07739%0.388CS..Hα-helixtrans-53.2-46.7175.8164.70000112.1W40 M47 G49 K51W40-S44 VanDerWaalsContact O-CB 3.25Å; W40-S44 WeakPolarHBondContact O-CB 3.33Å; W40-S44 PolarHBondContact O-N 3.39Å; S44-M47 PolarHBondContact O-N 3.46Å; S44-G49 WeakPolarHBondContact O-CA 3.37Å; S44-G49 PolarHBondContact O-N 2.89Å; S44-K51 VanDerWaalsContact CB-O 3.3Å; S44-K51 WeakPolarHBondContact CB-O 3.43Å; S44-K51 PolarHBondContact OG-O 3.37Å
45R96.6Very high95.2Very high179 Ų17961.8 Ų61.868%0.67537%0.368SS*.Hα-helixtrans-65.6-39.9176.4-73.1175.8-179.1-1671.8113L41 K42 V43 M47 G48L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 VanDerWaalsContact O-CG 3.25Å; L41-R45 WeakPolarHBondContact O-CG 3.42Å; L41-R45 PolarHBondContact O-N 3Å; K42-R45 PolarHBondContact O-N 2.58Å; V43-R45 VanDerWaalsContact C-N 3.31Å; V43-R45 PolarHBondContact O-N 3.06Å; R45-M47 PolarHBondContact O-N 3.08Å; R45-G48 WeakPolarHBondContact O-CA 3.41Å; R45-G48 PolarHBondContact O-N 3.29Å
46A95.7Very high95.3Very high49 Ų4958.2 Ų58.241%0.40533%0.331SS..Hα-helixtrans-65.9-29.1177.200000112.6A28 Y32 K42 V43 G48A28-A46 HydrophobicContact CB-CB 4.01Å; Y32-A46 HydrophobicContact CE2-CB 3.85Å; K42-A46 WeakPolarHBondContact O-CB 3.33Å; K42-A46 PolarHBondContact O-N 3.42Å; V43-A46 PolarHBondContact O-N 3.04Å; V43-A46 VanDerWaalsContact O-N 3.08Å; A46-G48 PolarHBondContact O-N 3.27Å
47M94.7Very high95.4Very high8 Ų860.6 Ų60.64%0.03934%0.336CS..THydrogen-bonded Turntrans-78.27.8170.4-62.2171.259.400113.6W17 L24 F25 A28 V43 S44 R45 G49 K51 V56W17-M47 HydrophobicContact CE3-CE 4.46Å; W17-M47 HydrophobicContact CH2-CE 3.54Å; W17-M47 HydrophobicContact CH2-SD 4.17Å; W17-M47 HydrophobicContact CZ3-CE 3.3Å; W17-M47 HydrophobicContact CZ3-SD 4.29Å; L24-M47 HydrophobicContact CB-CG 4.35Å; F25-M47 HydrophobicContact CB-CE 4.22Å; F25-M47 HydrophobicContact CB-SD 3.96Å; F25-M47 HydrophobicContact CD2-SD 4.36Å; A28-M47 HydrophobicContact CB-CG 4.39Å; V43-M47 HydrophobicContact CG1-SD 3.99Å; V43-M47 WeakPolarHBondContact O-CG 3.29Å; V43-M47 PolarHBondContact O-N 3.2Å; S44-M47 PolarHBondContact O-N 3.46Å; R45-M47 PolarHBondContact O-N 3.08Å; M47-G49 VanDerWaalsContact C-N 3.35Å; M47-K51 HydrophobicContact CE-CB 4.15Å; M47-K51 HydrophobicContact CE-CG 3.85Å; M47-V56 HydrophobicContact SD-CG2 4.05Å
48G94.2Very high95.4Very high67 Ų6763 Ų6369%0.69133%0.333SS*.THydrogen-bonded Turntrans78.113.9-17900000114.7R45 A46 I50R45-G48 WeakPolarHBondContact O-CA 3.41Å; R45-G48 PolarHBondContact O-N 3.29Å; A46-G48 PolarHBondContact O-N 3.27Å; G48-I50 VanDerWaalsContact C-N 3.29Å; G48-I50 PolarHBondContact O-N 3.24Å
49G92.2Very high95.4Very high49 Ų4958.1 Ų58.151%0.50531%0.307SS..THydrogen-bonded Turntrans76.311.3178.400000114.9S44 M47 K51S44-G49 WeakPolarHBondContact O-CA 3.37Å; S44-G49 PolarHBondContact O-N 2.89Å; M47-G49 VanDerWaalsContact C-N 3.35Å; G49-K51 PolarHBondContact O-N 3.49Å
50I91.9Very high95.3Very high108 Ų10859 Ų5955%0.55431%0.311SS*.SBendtrans-63.4-32.9178.3-59.8170.7000111.4G48G48-I50 VanDerWaalsContact C-N 3.29Å; G48-I50 PolarHBondContact O-N 3.24Å
51K94.1Very high95.1Very high19 Ų1960.3 Ų60.38%0.08332%0.319CS..SBendtrans-117.8141.6176-62.6-67.2-171.6178.80109.6N16 W17 E21 S44 M47 G49 E55 V56N16-K51 PolarHBondContact O-NZ 2.81Å; W17-K51 HydrophobicContact CH2-CB 4.19Å; W17-K51 HydrophobicContact CH2-CD 4.45Å; W17-K51 HydrophobicContact CH2-CG 3.72Å; W17-K51 HydrophobicContact CZ2-CB 4.41Å; W17-K51 HydrophobicContact CZ2-CD 4.21Å; W17-K51 HydrophobicContact CZ2-CG 3.93Å; W17-K51 HydrophobicContact CZ3-CG 4.14Å; E21-K51 WeakPolarHBondContact OE1-CE 3.4Å; E21-K51 IonicContact OE1-NZ 3.94Å; S44-K51 VanDerWaalsContact CB-O 3.3Å; S44-K51 WeakPolarHBondContact CB-O 3.43Å; S44-K51 PolarHBondContact OG-O 3.37Å; M47-K51 HydrophobicContact CE-CB 4.15Å; M47-K51 HydrophobicContact CE-CG 3.85Å; G49-K51 PolarHBondContact O-N 3.49Å; K51-E55 HydrophobicContact CB-CB 4.38Å; K51-V56 HydrophobicContact CB-CG2 4.03Å
52T95.2Very high94.8Very high76 Ų7658.4 Ų58.447%0.46631%0.309SS..  trans-72.2159.6174.562.30000111.5D54 E55 V56T52-D54 PolarHBondContact O-N 2.97Å; T52-E55 WeakPolarHBondContact CB-OE2 3.44Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.28Å; T52-E55 PolarHBondContact N-OE2 2.9Å; T52-E55 PolarHBondContact O-N 3.25Å; T52-E55 VanDerWaalsContact OG1-CG 3.28Å; T52-E55 WeakPolarHBondContact OG1-CG 3.39Å; T52-E55 PolarHBondContact OG1-N 2.91Å; T52-E55 PolarHBondContact OG1-OE2 3.42Å; T52-V56 WeakPolarHBondContact O-CG2 3.48Å; T52-V56 PolarHBondContact O-N 2.93Å
53A95.8Very high94.5Very high30 Ų3058 Ų5825%0.24831%0.31CS..Hα-helixtrans-58-34.8176.200000112.5W40 R57W40-A53 HydrophobicContact CB-CB 3.99Å; A53-R57 PolarHBondContact O-N 3.49Å
54D95.6Very high94.1Very high81 Ų8161.7 Ų61.743%0.43333%0.33SS..Hα-helixtrans-69.7-40.4177-77.4-41.6000112.6T52 R57 R58T52-D54 PolarHBondContact O-N 2.97Å; D54-R57 PolarHBondContact O-N 2.76Å; D54-R57 IonicContact OD1-CZ 3.51Å; D54-R57 IonicContact OD1-NH1 3.86Å; D54-R57 IonicContact OD1-NH2 2.77Å; D54-R57 PolarHBondContact OD1-NH2 3.16Å; D54-R58 WeakPolarHBondContact O-CG 3.46Å; D54-R58 PolarHBondContact O-N 2.77Å
55E94.6Very high93.8Very high69 Ų6967 Ų6732%0.32235%0.353SS..Hα-helixtrans-63.7-41.9174.6-73.8168.6116.200111.7K51 T52 R58 H59K51-E55 HydrophobicContact CB-CB 4.38Å; T52-E55 WeakPolarHBondContact CB-OE2 3.44Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.28Å; T52-E55 PolarHBondContact N-OE2 2.9Å; T52-E55 PolarHBondContact O-N 3.25Å; T52-E55 VanDerWaalsContact OG1-CG 3.28Å; T52-E55 WeakPolarHBondContact OG1-CG 3.39Å; T52-E55 PolarHBondContact OG1-N 2.91Å; T52-E55 PolarHBondContact OG1-OE2 3.42Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-H59 WeakPolarHBondContact O-CB 3.26Å; E55-H59 PolarHBondContact O-N 2.93Å
56V95.6Very high93.3Very high0 Ų062 Ų620%034%0.34CS..Hα-helixtrans-61.3-45175.7171.70000111W17 F25 W40 V43 M47 K51 T52 H59 Y60W17-V56 HydrophobicContact CH2-CG2 4.33Å; F25-V56 HydrophobicContact CD2-CG1 3.98Å; F25-V56 HydrophobicContact CE2-CG1 3.72Å; W40-V56 HydrophobicContact CE3-CG1 3.7Å; W40-V56 HydrophobicContact CZ3-CG1 4.31Å; V43-V56 HydrophobicContact CB-CG1 3.88Å; V43-V56 HydrophobicContact CG1-CG1 3.39Å; V43-V56 HydrophobicContact CG1-CG2 4.32Å; M47-V56 HydrophobicContact SD-CG2 4.05Å; K51-V56 HydrophobicContact CB-CG2 4.03Å; T52-V56 WeakPolarHBondContact O-CG2 3.48Å; T52-V56 PolarHBondContact O-N 2.93Å; V56-H59 PolarHBondContact O-N 3.23Å; V56-Y60 PolarHBondContact O-N 2.72Å
57R95.3Very high92.9Very high88 Ų8863.1 Ų63.133%0.33234%0.342SS..Hα-helixtrans-61.4-47.9177.6-178-174.263.5-147.4-21.5111.2W40 A53 D54 H59 Y60 E61W40-R57 HydrophobicContact CD2-CB 4.04Å; W40-R57 HydrophobicContact CD2-CG 4.42Å; W40-R57 HydrophobicContact CG-CB 4Å; W40-R57 HydrophobicContact CZ2-CG 4.33Å; A53-R57 PolarHBondContact O-N 3.49Å; D54-R57 PolarHBondContact O-N 2.76Å; D54-R57 IonicContact OD1-CZ 3.51Å; D54-R57 IonicContact OD1-NH1 3.86Å; D54-R57 IonicContact OD1-NH2 2.77Å; D54-R57 PolarHBondContact OD1-NH2 3.16Å; R57-H59 VanDerWaalsContact C-N 3.31Å; R57-H59 PolarHBondContact O-N 3.48Å; R57-Y60 WeakPolarHBondContact O-CB 3.42Å; R57-Y60 PolarHBondContact O-N 3.2Å; R57-E61 WeakPolarHBondContact CD-OE1 3.24Å; R57-E61 WeakPolarHBondContact CG-OE1 3.34Å; R57-E61 IonicContact NE-OE1 3.65Å; R57-E61 WeakPolarHBondContact O-CG 3.45Å; R57-E61 PolarHBondContact O-N 2.81Å
58R94.5Very high92.6Very high139 Ų13966.3 Ų66.353%0.52536%0.362SS..Hα-helixtrans-60.6-41.4179.2-72.4176.8-174.2134.91.9112D54 E55 Y60 E61 I62D54-R58 WeakPolarHBondContact O-CG 3.46Å; D54-R58 PolarHBondContact O-N 2.77Å; E55-R58 PolarHBondContact O-N 3.13Å; R58-Y60 VanDerWaalsContact C-N 3.32Å; R58-Y60 PolarHBondContact O-N 2.68Å; R58-E61 PolarHBondContact O-N 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 PolarHBondContact O-N 3.07Å; R58-I62 VanDerWaalsContact O-N 3.1Å
59H94.6Very high92.2Very high13 Ų1366 Ų666%0.0634%0.344CS..Hα-helixtrans-61.8-41.6176.6-166.258.6000112D14 W17 N22 F25 E55 V56 R57 L63D14-H59 IonicContact OD1-ND1 3.95Å; W17-H59 AromaticContact CD1-CE1 3.7Å; W17-H59 AromaticContact CD1-CG 3.96Å; W17-H59 AromaticContact CD1-ND1 3.34Å; W17-H59 VanDerWaalsContact CD1-ND1 3.34Å; W17-H59 AromaticContact CD2-CD2 3.96Å; W17-H59 AromaticContact CD2-CE1 4Å; W17-H59 AromaticContact CD2-CG 3.95Å; W17-H59 AromaticContact CD2-ND1 3.96Å; W17-H59 AromaticContact CD2-NE2 3.98Å; W17-H59 AromaticContact CE2-CD2 3.83Å; W17-H59 AromaticContact CE2-CG 3.45Å; W17-H59 VanDerWaalsContact CE2-CG 3.45Å; W17-H59 AromaticContact CE2-ND1 3.7Å; W17-H59 AromaticContact CG-CE1 3.7Å; W17-H59 AromaticContact CG-ND1 3.77Å; W17-H59 HydrophobicContact CH2-CB 4.43Å; W17-H59 HydrophobicContact CZ2-CB 3.6Å; W17-H59 AromaticContact CZ2-CD2 3.98Å; W17-H59 AromaticContact CZ2-CG 3.72Å; W17-H59 AromaticContact NE1-CG 3.47Å; W17-H59 AromaticContact NE1-ND1 3.29Å; W17-H59 PolarHBondContact NE1-ND1 2.92Å; N22-H59 PolarHBondContact OD1-NE2 3.07Å; F25-H59 AromaticContact CD1-CD2 3.63Å; F25-H59 AromaticContact CE1-CD2 3.55Å; F25-H59 AromaticContact CZ-CD2 3.84Å; E55-H59 WeakPolarHBondContact O-CB 3.26Å; E55-H59 PolarHBondContact O-N 2.93Å; V56-H59 PolarHBondContact O-N 3.23Å; R57-H59 VanDerWaalsContact C-N 3.31Å; R57-H59 PolarHBondContact O-N 3.48Å; H59-L63 WeakPolarHBondContact O-CB 3.33Å; H59-L63 PolarHBondContact O-N 3.27Å
60Y94.5Very high91.7Very high51 Ų5169 Ų6920%0.235%0.348CS..Hα-helixtrans-63.7-41.3174179.6-92.5000113F25 L29 W40 V56 R57 R58 L63 N64F25-Y60 HydrophobicContact CZ-CD2 4.38Å; L29-Y60 HydrophobicContact CD1-CD2 3.88Å; L29-Y60 HydrophobicContact CD1-CE2 4.09Å; L29-Y60 HydrophobicContact CD2-CD2 3.89Å; L29-Y60 HydrophobicContact CD2-CE2 3.97Å; W40-Y60 AromaticContact CH2-CD1 3.5Å; W40-Y60 HydrophobicContact CH2-CD1 3.5Å; W40-Y60 VanDerWaalsContact CH2-CD1 3.5Å; W40-Y60 AromaticContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CD2 3.81Å; W40-Y60 HydrophobicContact CH2-CE1 4.06Å; W40-Y60 HydrophobicContact CH2-CE2 4.32Å; W40-Y60 AromaticContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CH2-CG 3.35Å; W40-Y60 HydrophobicContact CZ2-CD1 4.02Å; W40-Y60 HydrophobicContact CZ2-CG 4.27Å; W40-Y60 HydrophobicContact CZ3-CD1 4.49Å; W40-Y60 HydrophobicContact CZ3-CD2 4.2Å; W40-Y60 AromaticContact CZ3-CG 3.93Å; W40-Y60 HydrophobicContact CZ3-CG 3.93Å; V56-Y60 PolarHBondContact O-N 2.72Å; R57-Y60 WeakPolarHBondContact O-CB 3.42Å; R57-Y60 PolarHBondContact O-N 3.2Å; R58-Y60 VanDerWaalsContact C-N 3.32Å; R58-Y60 PolarHBondContact O-N 2.68Å; Y60-L63 PolarHBondContact O-N 2.78Å; Y60-N64 HydrophobicContact CE1-CB 4.36Å; Y60-N64 VanDerWaalsContact O-CB 3.29Å; Y60-N64 WeakPolarHBondContact O-CB 3.46Å; Y60-N64 PolarHBondContact O-N 2.98Å
61E93.6Very high91.3Very high85 Ų8569.7 Ų69.740%0.39736%0.356SS..Hα-helixtrans-59.8-47.2178.4-73.1163.1176.400111R57 R58 N64 E65R57-E61 WeakPolarHBondContact CD-OE1 3.24Å; R57-E61 WeakPolarHBondContact CG-OE1 3.34Å; R57-E61 IonicContact NE-OE1 3.65Å; R57-E61 WeakPolarHBondContact O-CG 3.45Å; R57-E61 PolarHBondContact O-N 2.81Å; R58-E61 PolarHBondContact O-N 3.29Å; E61-N64 PolarHBondContact O-N 3.42Å; E61-E65 WeakPolarHBondContact O-CG 3.48Å; E61-E65 PolarHBondContact O-N 3.32Å
62I90.8Very high90.9Very high32 Ų3272.6 Ų72.616%0.16438%0.379CS..Hα-helixtrans-61-48.3176.6-63.6160.2000110.9T13 D14 R58 N64 E65 D66T13-I62 VanDerWaalsContact OG1-CD1 3.24Å; T13-I62 WeakPolarHBondContact OG1-CD1 3.37Å; D14-I62 WeakPolarHBondContact OD1-CG2 3.15Å; R58-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 PolarHBondContact O-N 3.07Å; R58-I62 VanDerWaalsContact O-N 3.1Å; I62-N64 VanDerWaalsContact C-N 3.26Å; I62-N64 PolarHBondContact O-N 3.02Å; I62-E65 WeakPolarHBondContact O-CB 3.36Å; I62-E65 PolarHBondContact O-N 2.84Å; I62-E65 VanDerWaalsContact O-N 3.17Å; I62-D66 PolarHBondContact O-N 3.28Å
63L90.4Very high89.9Confident63 Ų6371.9 Ų71.933%0.3339%0.387SS..Hα-helixtrans-58.9-39.7178.1-17863.8000111.9F25 H59 Y60 D66 V67F25-L63 HydrophobicContact CE1-CD2 4.17Å; H59-L63 WeakPolarHBondContact O-CB 3.33Å; H59-L63 PolarHBondContact O-N 3.27Å; Y60-L63 PolarHBondContact O-N 2.78Å; L63-D66 PolarHBondContact O-N 3.42Å; L63-V67 WeakPolarHBondContact O-CG2 3.4Å; L63-V67 PolarHBondContact O-N 2.99Å; L63-V67 VanDerWaalsContact O-N 3.08Å
64N90.5Very high88.6Confident78 Ų7872.7 Ų72.742%0.41740%0.398SS..Hα-helixtrans-71.2-36.1179.1-172.170.6000112.3Y60 E61 I62 T68Y60-N64 HydrophobicContact CE1-CB 4.36Å; Y60-N64 VanDerWaalsContact O-CB 3.29Å; Y60-N64 WeakPolarHBondContact O-CB 3.46Å; Y60-N64 PolarHBondContact O-N 2.98Å; E61-N64 PolarHBondContact O-N 3.42Å; I62-N64 VanDerWaalsContact C-N 3.26Å; I62-N64 PolarHBondContact O-N 3.02Å; N64-T68 WeakPolarHBondContact O-CB 3.37Å; N64-T68 PolarHBondContact O-N 3.21Å; N64-T68 PolarHBondContact O-OG1 3.38Å
65E89.2Confident87.3Confident122 Ų12273.5 Ų73.557%0.5740%0.401SS*.Hα-helixtrans-60.7-47.4172-74.9175.4-164.500111E61 I62 V67 T68 L69E61-E65 WeakPolarHBondContact O-CG 3.48Å; E61-E65 PolarHBondContact O-N 3.32Å; I62-E65 WeakPolarHBondContact O-CB 3.36Å; I62-E65 PolarHBondContact O-N 2.84Å; I62-E65 VanDerWaalsContact O-N 3.17Å; E65-V67 PolarHBondContact O-N 3.17Å; E65-T68 WeakPolarHBondContact O-CB 3.43Å; E65-T68 PolarHBondContact O-N 3.24Å; E65-T68 VanDerWaalsContact O-N 3.16Å; E65-L69 WeakPolarHBondContact O-CG 3.43Å; E65-L69 PolarHBondContact O-N 3.43Å
66D85.9Confident86.2Confident74 Ų7475.5 Ų75.540%0.39642%0.42SS..Hα-helixtrans-60.3-45.6177.6-78.8-16.3000112.1I62 L63 T68 L69 I70I62-D66 PolarHBondContact O-N 3.28Å; L63-D66 PolarHBondContact O-N 3.42Å; D66-T68 VanDerWaalsContact C-N 3.31Å; D66-T68 PolarHBondContact O-N 3.3Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-I70 WeakPolarHBondContact O-CG1 3.42Å; D66-I70 PolarHBondContact O-N 3.08Å; D66-I70 VanDerWaalsContact O-N 3.08Å
67V88.3Confident85Confident73 Ų7384.5 Ų84.544%0.44246%0.459SS..Hα-helixtrans-60.7-42.2175.2170.50000111.1L63 E65 L69 I70 V71L63-V67 WeakPolarHBondContact O-CG2 3.4Å; L63-V67 PolarHBondContact O-N 2.99Å; L63-V67 VanDerWaalsContact O-N 3.08Å; E65-V67 PolarHBondContact O-N 3.17Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 3.1Å; V67-I70 PolarHBondContact O-N 3.24Å; V67-V71 HydrophobicContact CG1-CG2 4.26Å; V67-V71 WeakPolarHBondContact O-CG2 3.43Å; V67-V71 PolarHBondContact O-N 3.45Å
68T87.8Confident84.1Confident75 Ų7583.8 Ų83.846%0.4647%0.467SS..Hα-helixtrans-64.4-40.2179.3-58.80000111.5N64 E65 D66 I70 V71 S72N64-T68 WeakPolarHBondContact O-CB 3.37Å; N64-T68 PolarHBondContact O-N 3.21Å; N64-T68 PolarHBondContact O-OG1 3.38Å; E65-T68 WeakPolarHBondContact O-CB 3.43Å; E65-T68 PolarHBondContact O-N 3.24Å; E65-T68 VanDerWaalsContact O-N 3.16Å; D66-T68 VanDerWaalsContact C-N 3.31Å; D66-T68 PolarHBondContact O-N 3.3Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 2.9Å; T68-V71 PolarHBondContact O-N 3.43Å; T68-S72 VanDerWaalsContact O-CB 3.28Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.02Å
69L85Confident83.3Confident60 Ų6085.1 Ų85.131%0.31448%0.484SS..Hα-helixtrans-63.7-38.5175.7-71.3174.8000112.2E65 D66 V67 S72 G74E65-L69 WeakPolarHBondContact O-CG 3.43Å; E65-L69 PolarHBondContact O-N 3.43Å; D66-L69 PolarHBondContact O-N 3.43Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 3.1Å; L69-S72 PolarHBondContact O-OG 3.05Å; L69-G74 PolarHBondContact O-N 3.03Å
70I83.3Confident82.5Confident114 Ų11492.9 Ų92.959%0.58551%0.514SS*.Hα-helixtrans-66.3-49.5175.4-66165.3000110.6D66 V67 T68 G73 I75D66-I70 WeakPolarHBondContact O-CG1 3.42Å; D66-I70 PolarHBondContact O-N 3.08Å; D66-I70 VanDerWaalsContact O-N 3.08Å; V67-I70 PolarHBondContact O-N 3.24Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 2.9Å; I70-G73 PolarHBondContact O-N 3.36Å; I70-I75 HydrophobicContact CG1-CD1 3.81Å
71V82Confident81.5Confident122 Ų12297.6 Ų97.674%0.73954%0.543SS*.Hα-helixtrans-67.9-38.2-175.5171.30000112.2V67 T68 G73V67-V71 HydrophobicContact CG1-CG2 4.26Å; V67-V71 WeakPolarHBondContact O-CG2 3.43Å; V67-V71 PolarHBondContact O-N 3.45Å; T68-V71 PolarHBondContact O-N 3.43Å; V71-G73 PolarHBondContact O-N 3.28Å; V71-G73 VanDerWaalsContact O-N 3.13Å
72S85.7Confident80.3Confident79 Ų7998.8 Ų98.855%0.55256%0.556SS**THydrogen-bonded Turntrans-69.7-4.3178.157.70000113.7T68 L69 G74T68-S72 VanDerWaalsContact O-CB 3.28Å; T68-S72 WeakPolarHBondContact O-CB 3.24Å; T68-S72 PolarHBondContact O-N 3.33Å; T68-S72 PolarHBondContact O-OG 3.02Å; L69-S72 PolarHBondContact O-OG 3.05Å; S72-G74 PolarHBondContact O-N 2.6Å
73G74.8Confident78.9Confident62 Ų62106.5 Ų106.564%0.63959%0.591SS**THydrogen-bonded Turntrans62.618.9-172.700000112.5I70 V71 I75I70-G73 PolarHBondContact O-N 3.36Å; V71-G73 PolarHBondContact O-N 3.28Å; V71-G73 VanDerWaalsContact O-N 3.13Å; G73-I75 PolarHBondContact O-N 2.92Å
74G69.1Low77.6Confident46 Ų46106.7 Ų106.747%0.47461%0.608SS.*  trans-78.94.3-173.400000114.3L69 S72 P76L69-G74 PolarHBondContact O-N 3.03Å; S72-G74 PolarHBondContact O-N 2.6Å; G74-P76 VanDerWaalsContact O-CD 3.29Å; G74-P76 WeakPolarHBondContact O-CD 3.29Å
75I67.5Low76.3Confident99 Ų99107 Ų10751%0.50862%0.622SS.*SBendtrans-90.8108.2174.2-53.6176.8000107.5I70 G73 F77I70-I75 HydrophobicContact CG1-CD1 3.81Å; G73-I75 PolarHBondContact O-N 2.92Å; I75-F77 PolarHBondContact O-N 2.88Å
76P72.2Confident75.1Confident110 Ų110112 Ų11271%0.71464%0.636SS**PPolyproline II helixtrans-60.7132173.4-16.830.9000108.8G74 P78G74-P76 VanDerWaalsContact O-CD 3.29Å; G74-P76 WeakPolarHBondContact O-CD 3.29Å; P76-P78 WeakPolarHBondContact O-CD 3.11Å
77F70.9Confident73.6Confident189 Ų189119.8 Ų119.883%0.82968%0.677SS**PPolyproline II helixtrans-57.6127.9167.7-69.8-76.4000108.1I75 N79I75-F77 PolarHBondContact O-N 2.88Å; F77-N79 PolarHBondContact O-N 2.78Å
78P76.3Confident72.8Confident74 Ų74122.1 Ų122.148%0.48169%0.689SS.*PPolyproline II helixtrans-55.6133.4171.4-23.233.4000108.7P76 Y80P76-P78 WeakPolarHBondContact O-CD 3.11Å; P78-Y80 HydrophobicContact CB-CD1 4.47Å; P78-Y80 HydrophobicContact CB-CD2 4.05Å; P78-Y80 HydrophobicContact CB-CE1 4.1Å; P78-Y80 HydrophobicContact CB-CE2 3.64Å; P78-Y80 HydrophobicContact CB-CG 4.46Å; P78-Y80 HydrophobicContact CG-CE2 3.81Å; P78-Y80 WeakPolarHBondContact O-CD2 3.18Å; P78-Y80 PolarHBondContact O-N 3.28Å
79N77.6Confident72.1Confident167 Ų167124.6 Ų124.689%0.89370%0.701SS**  trans-69.780.6168.7-75.8-28.8000107.7F77 N81F77-N79 PolarHBondContact O-N 2.78Å; N79-N81 PolarHBondContact O-N 3.14Å; N79-N81 VanDerWaalsContact O-N 3.14Å
80Y76.9Confident71.3Confident175 Ų175128.2 Ų128.269%0.68672%0.722SS**  trans-65.7112.4169.5-63-75.1000107.1P78 T82P78-Y80 HydrophobicContact CB-CD1 4.47Å; P78-Y80 HydrophobicContact CB-CD2 4.05Å; P78-Y80 HydrophobicContact CB-CE1 4.1Å; P78-Y80 HydrophobicContact CB-CE2 3.64Å; P78-Y80 HydrophobicContact CB-CG 4.46Å; P78-Y80 HydrophobicContact CG-CE2 3.81Å; P78-Y80 WeakPolarHBondContact O-CD2 3.18Å; P78-Y80 PolarHBondContact O-N 3.28Å; Y80-T82 VanDerWaalsContact C-N 3.29Å; Y80-T82 PolarHBondContact O-N 2.78Å
81N74.5Confident70.6Confident150 Ų150129 Ų12980%0.80273%0.73SS**  trans-65.791168.656.3-25.5000108.6N79 Q83N79-N81 PolarHBondContact O-N 3.14Å; N79-N81 VanDerWaalsContact O-N 3.14Å; N81-Q83 PolarHBondContact O-N 3.17Å
82T67.6Low69.9Low110 Ų110129.4 Ų129.468%0.67573%0.73SS**  trans-762.5177.246.70000113.4Y80 G84Y80-T82 VanDerWaalsContact C-N 3.29Å; Y80-T82 PolarHBondContact O-N 2.78Å; T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 3.23Å
83Q62.5Low68.9Low195 Ų195132.8 Ų132.891%0.91174%0.741SS**THydrogen-bonded Turntrans-79.874.7180-159.2166.42.900110.5N81N81-Q83 PolarHBondContact O-N 3.17Å
84G63.1Low68.5Low66 Ų66137.9 Ų137.968%0.6875%0.749SS**THydrogen-bonded Turntrans164.1-12.1166.500000118.8T82T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 3.23Å
85A62.6Low68.4Low85 Ų85144.9 Ų144.970%0.70277%0.77SS**SBendtrans-106.615.5-169.600000116
86W63.5Low68.5Low228 Ų228148.8 Ų148.886%0.86479%0.792SS**  trans-129.130.3178.9-61.395.4000114.1
87N54.2Low68.1Low236 Ų236152.3 Ų152.3100%1.26280%0.799SS**  trans-130.40167.2-65.4-46000110.4

Retrieved 87 of 87 residues in 16.5 ms (Link to these results)