A0A096M4Y5_POEFO Loading...

Zinc finger protein 804B

AlphaFold DB , UniProt , Accession A0A096M4Y5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 90 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
1E32.9Very low46.1Very low248 Ų248135.5 Ų135.5100%1.15977%0.765SS**  0118.30-72.2153.895.200108.5
2C36.8Very low47.2Very low125 Ų125135.1 Ų135.185%0.84575%0.752SS**  trans-72.1136.8169.6-980000107.3
3T37.7Very low48.1Very low105 Ų105130.9 Ų130.964%0.64473%0.728SS**  cis-168.1114.51429.10000106
4E42.6Very low48.9Very low204 Ų204128.4 Ų128.495%0.95371%0.711SS**  trans-95.777.1159.6-65.4-170.4103.100107.4
5R47.9Very low49.7Very low227 Ų227127.9 Ų127.986%0.85770%0.699SS**  trans-99.298.2172.5-93172.394.5165.13.1109.5
6A44Very low50.6Low92 Ų92124.4 Ų124.476%0.7669%0.687SS**  trans56.491.4138.800000116.1G8A6-G8 VanDerWaalsContact C-N 3.28Å; A6-G8 PolarHBondContact O-N 3.41Å
7L50.6Low51.9Low188 Ų188123.5 Ų123.598%0.98468%0.68SS**  trans-51.289.7152-67.6157.8000110.1
8G49.9Very low53.7Low65 Ų65119.6 Ų119.667%0.6766%0.655SS**  trans-131.821.2170.600000112A6 S10A6-G8 VanDerWaalsContact C-N 3.28Å; A6-G8 PolarHBondContact O-N 3.41Å; G8-S10 PolarHBondContact O-N 3.19Å; G8-S10 VanDerWaalsContact O-N 3.11Å
9C49.3Very low55.6Low85 Ų85117.6 Ų117.657%0.57464%0.638SS**  trans-67.4110.4176.9-65.20000108.3D13C9-D13 WeakPolarHBondContact CA-OD2 3.39Å; C9-D13 HydrophobicContact CB-CB 3.75Å
10S57.3Low57.3Low53 Ų53112.1 Ų112.137%0.37161%0.608SS.*  trans-58.7160.8169.5-173.10000108.8G8 E12 D13 L14G8-S10 PolarHBondContact O-N 3.19Å; G8-S10 VanDerWaalsContact O-N 3.11Å; S10-E12 WeakPolarHBondContact CB-OE2 3.35Å; S10-E12 PolarHBondContact O-N 2.93Å; S10-E12 PolarHBondContact OG-OE2 3.25Å; S10-D13 PolarHBondContact N-OD2 3.02Å; S10-D13 WeakPolarHBondContact O-CB 3.43Å; S10-D13 PolarHBondContact O-N 3.34Å; S10-L14 PolarHBondContact O-N 3.4Å
11V58.6Low58.8Low99 Ų99114 Ų11460%0.661%0.613SS**Hα-helixtrans-53-23.1171.6178.20000111.2K15V11-K15 WeakPolarHBondContact O-CG 3.44Å; V11-K15 PolarHBondContact O-N 3.45Å
12E58.9Low61.5Low130 Ų130104.1 Ų104.161%0.60757%0.568SS**Hα-helixtrans-70.5-39.6173.2-64.1147.6108.200113.4S10 L14 K15 S16S10-E12 WeakPolarHBondContact CB-OE2 3.35Å; S10-E12 PolarHBondContact O-N 2.93Å; S10-E12 PolarHBondContact OG-OE2 3.25Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.37Å; E12-K15 WeakPolarHBondContact O-CB 3.5Å; E12-K15 PolarHBondContact O-N 2.91Å; E12-K15 VanDerWaalsContact O-N 3.13Å; E12-S16 PolarHBondContact O-N 3.41Å; E12-S16 PolarHBondContact O-OG 3.08Å
13D58.7Low64Low81 Ų8198.9 Ų98.943%0.43353%0.533SS..Hα-helixtrans-68.6-34.2176.3-70.5-46.5000111.8C9 S10 K15 S16 L17C9-D13 WeakPolarHBondContact CA-OD2 3.39Å; C9-D13 HydrophobicContact CB-CB 3.75Å; S10-D13 PolarHBondContact N-OD2 3.02Å; S10-D13 WeakPolarHBondContact O-CB 3.43Å; S10-D13 PolarHBondContact O-N 3.34Å; D13-K15 VanDerWaalsContact C-N 3.27Å; D13-K15 PolarHBondContact O-N 3.04Å; D13-S16 WeakPolarHBondContact O-CB 3.48Å; D13-S16 PolarHBondContact O-N 3.38Å; D13-L17 PolarHBondContact O-N 3.43Å
14L59.3Low66.5Low96 Ų9699.6 Ų99.650%0.50353%0.532SS..Hα-helixtrans-67.5-28.4172.7-72.3166.7000112.3S10 E12 L17S10-L14 PolarHBondContact O-N 3.4Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.37Å; L14-L17 HydrophobicContact CD2-CD1 3.83Å
15K60.7Low68.8Low120 Ų12095 Ų9552%0.52251%0.51SS..Hα-helixtrans-74.2-36.8172.9-72.3168.7-177.9173.90111.1V11 E12 D13 L17 F18 Q26V11-K15 WeakPolarHBondContact O-CG 3.44Å; V11-K15 PolarHBondContact O-N 3.45Å; E12-K15 WeakPolarHBondContact O-CB 3.5Å; E12-K15 PolarHBondContact O-N 2.91Å; E12-K15 VanDerWaalsContact O-N 3.13Å; D13-K15 VanDerWaalsContact C-N 3.27Å; D13-K15 PolarHBondContact O-N 3.04Å; K15-L17 PolarHBondContact O-N 3.33Å; K15-F18 PolarHBondContact O-N 3.04Å; K15-F18 VanDerWaalsContact O-N 3.12Å; K15-Q26 PolarHBondContact O-NE2 3.48Å
16S64.4Low70.7Confident73 Ų7389 Ų8951%0.5149%0.491SS..Hα-helixtrans-60.8-25175.8-58.40000113.2E12 D13 F18 Y19E12-S16 PolarHBondContact O-N 3.41Å; E12-S16 PolarHBondContact O-OG 3.08Å; D13-S16 WeakPolarHBondContact O-CB 3.48Å; D13-S16 PolarHBondContact O-N 3.38Å; S16-F18 PolarHBondContact O-N 2.99Å; S16-Y19 WeakPolarHBondContact O-CB 3.47Å; S16-Y19 PolarHBondContact O-N 3.31Å
17L72.8Confident72.8Confident109 Ų10986.7 Ų86.757%0.57146%0.463SS*.THydrogen-bonded Turntrans-61.7-25.6175.5-66.3172.5000113.8D13 L14 K15D13-L17 PolarHBondContact O-N 3.43Å; L14-L17 HydrophobicContact CD2-CD1 3.83Å; K15-L17 PolarHBondContact O-N 3.33Å
18F84.7Confident74.3Confident52 Ų5285.6 Ų85.623%0.22846%0.457CS..THydrogen-bonded Turntrans-105.821.5179.8-55.8-55.3000112.5K15 S16 Q26 Y27 H30 F33K15-F18 PolarHBondContact O-N 3.04Å; K15-F18 VanDerWaalsContact O-N 3.12Å; S16-F18 PolarHBondContact O-N 2.99Å; F18-Q26 PolarHBondContact O-NE2 3.43Å; F18-Y27 WeakPolarHBondContact CB-O 3.36Å; F18-Y27 WeakPolarHBondContact O-CB 3.46Å; F18-Y27 WeakPolarHBondContact O-CD2 3.39Å; F18-Y27 PolarHBondContact O-N 3.1Å; F18-H30 HydrophobicContact CD1-CB 4.46Å; F18-H30 VanDerWaalsContact CE1-CA 3.44Å; F18-H30 HydrophobicContact CE1-CB 3.58Å; F18-H30 AromaticContact CE1-CD2 3.89Å; F18-H30 HydrophobicContact CZ-CB 4.02Å; F18-F33 HydrophobicContact CB-CB 4.45Å; F18-F33 HydrophobicContact CB-CG 4.47Å; F18-F33 HydrophobicContact CD1-CB 4.03Å; F18-F33 HydrophobicContact CD1-CD1 4.35Å; F18-F33 HydrophobicContact CD1-CG 4.25Å; F18-F33 WeakPolarHBondContact O-CD2 3.45Å
19Y89.1Confident75.9Confident83 Ų8390.4 Ų90.433%0.32546%0.455SS..EExtended strand (participates in β ladder)trans-104.5134.1177.9177.8-113.2000110.8S16 E21 D24 K25 Q26S16-Y19 WeakPolarHBondContact O-CB 3.47Å; S16-Y19 PolarHBondContact O-N 3.31Å; Y19-E21 HydrophobicContact CD1-CG 3.92Å; Y19-E21 HydrophobicContact CE1-CB 4.28Å; Y19-E21 HydrophobicContact CE1-CG 3.6Å; Y19-D24 PolarHBondContact OH-OD1 3.33Å; Y19-K25 WeakPolarHBondContact CA-O 3.23Å; Y19-K25 WeakPolarHBondContact CD2-O 3.4Å; Y19-Q26 HydrophobicContact CD2-CB 4.24Å
20C90.4Very high77.6Confident6 Ų691.9 Ų91.94%0.04145%0.454CS..EExtended strand (participates in β ladder)trans-104.7105.8173.51760000110L22 C23 D24 K25 F33 H36 H42C20-L22 PolarHBondContact O-N 3.11Å; C20-C23 HydrophobicContact CB-CB 4.48Å; C20-C23 PolarHBondContact O-N 3.48Å; C20-C23 PolarHBondContact SG-N 3.39Å; C20-C23 VanDerWaalsContact SG-N 3.37Å; C20-D24 WeakPolarHBondContact O-CA 3.38Å; C20-D24 PolarHBondContact O-N 3.01Å; C20-K25 PolarHBondContact N-O 2.94Å; C20-K25 PolarHBondContact O-N 3.11Å; C20-F33 HydrophobicContact CB-CE2 4.15Å; C20-H36 PolarHBondContact SG-NE2 2.9Å; C20-H42 PolarHBondContact SG-CE1 3.42Å; C20-H42 PolarHBondContact SG-ND1 3.46Å
21E88.6Confident79.1Confident152 Ų15295.4 Ų95.471%0.7146%0.464SS*.THydrogen-bonded Turntrans-63.7-24.4174.3-67.5176-142.500113Y19 C23Y19-E21 HydrophobicContact CD1-CG 3.92Å; Y19-E21 HydrophobicContact CE1-CB 4.28Å; Y19-E21 HydrophobicContact CE1-CG 3.6Å; E21-C23 VanDerWaalsContact C-N 3.35Å
22L89.5Confident80.6Confident41 Ų4194.8 Ų94.822%0.21546%0.455CS..THydrogen-bonded Turntrans-73.2-33.7179.4-60.6-171.8000111.6C20 K45 Q46 K49C20-L22 PolarHBondContact O-N 3.11Å; L22-K45 WeakPolarHBondContact O-CD 3.38Å; L22-K45 WeakPolarHBondContact O-CE 3.49Å; L22-K45 PolarHBondContact O-NZ 3.37Å; L22-Q46 HydrophobicContact CD1-CB 3.7Å; L22-Q46 HydrophobicContact CD1-CG 3.89Å; L22-K49 HydrophobicContact CD2-CD 3.75Å
23C89.4Confident82.1Confident16 Ų1690.4 Ų90.411%0.10843%0.433CS..THydrogen-bonded Turntrans-114.4-1.5-173.7-62.70000113.6C20 E21 K25C20-C23 HydrophobicContact CB-CB 4.48Å; C20-C23 PolarHBondContact O-N 3.48Å; C20-C23 PolarHBondContact SG-N 3.39Å; C20-C23 VanDerWaalsContact SG-N 3.37Å; E21-C23 VanDerWaalsContact C-N 3.35Å; C23-K25 HydrophobicContact CB-CD 4.24Å; C23-K25 HydrophobicContact CB-CG 4.36Å; C23-K25 WeakPolarHBondContact O-CG 3.3Å; C23-K25 PolarHBondContact O-N 3.3Å
24D89.6Confident83.6Confident119 Ų11989.9 Ų89.964%0.63643%0.431SS*.THydrogen-bonded Turntrans5242.7-176.2-66-69.8000112.4Y19 C20Y19-D24 PolarHBondContact OH-OD1 3.33Å; C20-D24 WeakPolarHBondContact O-CA 3.38Å; C20-D24 PolarHBondContact O-N 3.01Å
25K89.9Confident85.2Confident109 Ų10989.4 Ų89.447%0.47443%0.429SS..EExtended strand (participates in β ladder)trans-118.7125.8-177.4-73176.5-168.5-66.30110.9Y19 C20 C23 Y27Y19-K25 WeakPolarHBondContact CA-O 3.23Å; Y19-K25 WeakPolarHBondContact CD2-O 3.4Å; C20-K25 PolarHBondContact N-O 2.94Å; C20-K25 PolarHBondContact O-N 3.11Å; C23-K25 HydrophobicContact CB-CD 4.24Å; C23-K25 HydrophobicContact CB-CG 4.36Å; C23-K25 WeakPolarHBondContact O-CG 3.3Å; C23-K25 PolarHBondContact O-N 3.3Å; K25-Y27 HydrophobicContact CB-CD2 4.32Å; K25-Y27 HydrophobicContact CB-CE2 3.52Å; K25-Y27 VanDerWaalsContact CD-OH 3.27Å; K25-Y27 WeakPolarHBondContact CD-OH 3.49Å
26Q89Confident86.8Confident100 Ų10084.5 Ų84.547%0.46741%0.408SS..EExtended strand (participates in β ladder)trans-95126.9170.5-179.367.26400109.7K15 F18 Y19K15-Q26 PolarHBondContact O-NE2 3.48Å; F18-Q26 PolarHBondContact O-NE2 3.43Å; Y19-Q26 HydrophobicContact CD2-CB 4.24Å
27Y87.6Confident88.1Confident43 Ų4384 Ų8417%0.16940%0.398CS..  trans-106.7150173.6-62.2-91.8000109.9F18 K25 E32 F33 H36F18-Y27 WeakPolarHBondContact CB-O 3.36Å; F18-Y27 WeakPolarHBondContact O-CB 3.46Å; F18-Y27 WeakPolarHBondContact O-CD2 3.39Å; F18-Y27 PolarHBondContact O-N 3.1Å; K25-Y27 HydrophobicContact CB-CD2 4.32Å; K25-Y27 HydrophobicContact CB-CE2 3.52Å; K25-Y27 VanDerWaalsContact CD-OH 3.27Å; K25-Y27 WeakPolarHBondContact CD-OH 3.49Å; Y27-E32 HydrophobicContact CD1-CB 3.85Å; Y27-F33 HydrophobicContact CD2-CB 4.46Å; Y27-F33 AromaticContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CE2 4.49Å; Y27-F33 HydrophobicContact CE2-CD2 4.31Å; Y27-F33 HydrophobicContact CG-CB 4.27Å; Y27-F33 HydrophobicContact CG-CD2 4.28Å; Y27-H36 HydrophobicContact CE1-CB 4.08Å; Y27-H36 HydrophobicContact CE2-CB 3.91Å; Y27-H36 AromaticContact CE2-CD2 3.66Å; Y27-H36 AromaticContact CE2-CG 3.71Å; Y27-H36 AromaticContact CZ-CD2 3.97Å; Y27-H36 AromaticContact CZ-CG 3.53Å; Y27-H36 WeakPolarHBondContact OH-CB 3.3Å; Y27-H36 PolarHBondContact OH-ND1 3.48Å; Y27-H36 VanDerWaalsContact OH-ND1 3.1Å
28L81.9Confident89Confident166 Ų16684.1 Ų84.187%0.86940%0.4SS*.SBendtrans-99.5-20.4179.9-74.8158.8000112.5
29R85.1Confident89.4Confident165 Ų16583.4 Ų83.462%0.62340%0.401SS*.SBendtrans-124.1138.2-177.8-65.4-159.3-71.9-177.1-2.9110.2Q31 E32 F33R29-Q31 VanDerWaalsContact C-N 3.29Å; R29-Q31 PolarHBondContact O-N 2.9Å; R29-E32 HydrophobicContact CB-CG 4.22Å; R29-E32 PolarHBondContact O-N 3.21Å; R29-F33 PolarHBondContact O-N 3Å
30H84.7Confident89.7Confident117 Ų11788.3 Ų88.354%0.54242%0.421SS..Hα-helixtrans-52.8-45.5175.5177.4-82.3000112.4F18 E32 F33 D34F18-H30 HydrophobicContact CD1-CB 4.46Å; F18-H30 VanDerWaalsContact CE1-CA 3.44Å; F18-H30 HydrophobicContact CE1-CB 3.58Å; F18-H30 AromaticContact CE1-CD2 3.89Å; F18-H30 HydrophobicContact CZ-CB 4.02Å; H30-E32 VanDerWaalsContact C-N 3.31Å; H30-E32 PolarHBondContact O-N 3.31Å; H30-F33 WeakPolarHBondContact O-CB 3.45Å; H30-F33 PolarHBondContact O-N 3.21Å; H30-D34 WeakPolarHBondContact O-CB 3.46Å; H30-D34 PolarHBondContact O-N 3.4Å
31Q88.5Confident89.7Confident126 Ų12693.3 Ų93.359%0.58945%0.447SS*.Hα-helixtrans-60.7-38.7-177.8-171.7176.8-4.800113R29 D34 N35R29-Q31 VanDerWaalsContact C-N 3.29Å; R29-Q31 PolarHBondContact O-N 2.9Å; Q31-D34 PolarHBondContact O-N 2.97Å; Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 PolarHBondContact O-N 3.2Å; Q31-N35 PolarHBondContact O-ND2 2.9Å; Q31-N35 VanDerWaalsContact O-ND2 3.17Å
32E89Confident90Very high87 Ų8786.4 Ų86.441%0.40741%0.414SS..Hα-helixtrans-71.2-36.5178.6-63.2-66.791.700111.5Y27 R29 H30 H36Y27-E32 HydrophobicContact CD1-CB 3.85Å; R29-E32 HydrophobicContact CB-CG 4.22Å; R29-E32 PolarHBondContact O-N 3.21Å; H30-E32 VanDerWaalsContact C-N 3.31Å; H30-E32 PolarHBondContact O-N 3.31Å; E32-H36 WeakPolarHBondContact O-CB 3.34Å; E32-H36 PolarHBondContact O-N 2.88Å
33F91.6Very high90.2Very high37 Ų3786.5 Ų86.516%0.16242%0.421CS..Hα-helixtrans-65.8-46.6173.7-175.8-108000111.3F18 C20 Y27 R29 H30 N35 H36 I37F18-F33 HydrophobicContact CB-CB 4.45Å; F18-F33 HydrophobicContact CB-CG 4.47Å; F18-F33 HydrophobicContact CD1-CB 4.03Å; F18-F33 HydrophobicContact CD1-CD1 4.35Å; F18-F33 HydrophobicContact CD1-CG 4.25Å; F18-F33 WeakPolarHBondContact O-CD2 3.45Å; C20-F33 HydrophobicContact CB-CE2 4.15Å; Y27-F33 HydrophobicContact CD2-CB 4.46Å; Y27-F33 AromaticContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CD2 3.66Å; Y27-F33 HydrophobicContact CD2-CE2 4.49Å; Y27-F33 HydrophobicContact CE2-CD2 4.31Å; Y27-F33 HydrophobicContact CG-CB 4.27Å; Y27-F33 HydrophobicContact CG-CD2 4.28Å; R29-F33 PolarHBondContact O-N 3Å; H30-F33 WeakPolarHBondContact O-CB 3.45Å; H30-F33 PolarHBondContact O-N 3.21Å; F33-N35 PolarHBondContact O-N 3.47Å; F33-H36 CarbonylContact O-C 3.59Å; F33-H36 WeakPolarHBondContact O-CA 3.34Å; F33-H36 VanDerWaalsContact O-CB 3.32Å; F33-H36 WeakPolarHBondContact O-CB 3.35Å; F33-H36 PolarHBondContact O-N 3.32Å; F33-I37 HydrophobicContact CD1-CG1 4.11Å; F33-I37 HydrophobicContact CE1-CD1 4.2Å; F33-I37 HydrophobicContact CE1-CG1 3.75Å; F33-I37 HydrophobicContact CE2-CD1 4.02Å; F33-I37 HydrophobicContact CE2-CG1 4.21Å; F33-I37 HydrophobicContact CG-CG1 4.5Å; F33-I37 HydrophobicContact CZ-CD1 3.74Å; F33-I37 HydrophobicContact CZ-CG1 3.82Å; F33-I37 WeakPolarHBondContact O-CG1 3.35Å; F33-I37 PolarHBondContact O-N 3.45Å
34D90.7Very high90.4Very high71 Ų7190.6 Ų90.638%0.3844%0.439SS..Hα-helixtrans-61.1-45.1178.1-163.4-96.7000111.3H30 Q31 H36 I37 N38H30-D34 WeakPolarHBondContact O-CB 3.46Å; H30-D34 PolarHBondContact O-N 3.4Å; Q31-D34 PolarHBondContact O-N 2.97Å; D34-H36 VanDerWaalsContact C-N 3.26Å; D34-H36 PolarHBondContact O-N 2.89Å; D34-I37 PolarHBondContact O-N 2.83Å; D34-N38 WeakPolarHBondContact O-CB 3.46Å; D34-N38 VanDerWaalsContact O-CG 3.31Å; D34-N38 PolarHBondContact O-N 3.06Å; D34-N38 PolarHBondContact O-ND2 3.25Å; D34-N38 PolarHBondContact OD1-ND2 3.27Å
35N92.1Very high90.5Very high85 Ų8588.7 Ų88.746%0.45543%0.425SS..Hα-helixtrans-57.8-38171.9-73-23.7000112.3Q31 F33 S39Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 PolarHBondContact O-N 3.2Å; Q31-N35 PolarHBondContact O-ND2 2.9Å; Q31-N35 VanDerWaalsContact O-ND2 3.17Å; F33-N35 PolarHBondContact O-N 3.47Å; N35-S39 WeakPolarHBondContact O-CB 3.4Å; N35-S39 PolarHBondContact O-N 3.46Å
36H93.3Very high90.6Very high17 Ų1787.7 Ų87.78%0.07942%0.422CS..Hα-helixtrans-68.1-48.1176171.763.2000112.4C20 Y27 E32 F33 D34 N38 S39 H42C20-H36 PolarHBondContact SG-NE2 2.9Å; Y27-H36 HydrophobicContact CE1-CB 4.08Å; Y27-H36 HydrophobicContact CE2-CB 3.91Å; Y27-H36 AromaticContact CE2-CD2 3.66Å; Y27-H36 AromaticContact CE2-CG 3.71Å; Y27-H36 AromaticContact CZ-CD2 3.97Å; Y27-H36 AromaticContact CZ-CG 3.53Å; Y27-H36 WeakPolarHBondContact OH-CB 3.3Å; Y27-H36 PolarHBondContact OH-ND1 3.48Å; Y27-H36 VanDerWaalsContact OH-ND1 3.1Å; E32-H36 WeakPolarHBondContact O-CB 3.34Å; E32-H36 PolarHBondContact O-N 2.88Å; F33-H36 CarbonylContact O-C 3.59Å; F33-H36 WeakPolarHBondContact O-CA 3.34Å; F33-H36 VanDerWaalsContact O-CB 3.32Å; F33-H36 WeakPolarHBondContact O-CB 3.35Å; F33-H36 PolarHBondContact O-N 3.32Å; D34-H36 VanDerWaalsContact C-N 3.26Å; D34-H36 PolarHBondContact O-N 2.89Å; H36-N38 PolarHBondContact O-N 3.2Å; H36-S39 VanDerWaalsContact O-CB 3.22Å; H36-S39 WeakPolarHBondContact O-CB 3.41Å; H36-S39 PolarHBondContact O-N 3.33Å; H36-S39 PolarHBondContact O-OG 2.86Å; H36-H42 AromaticContact CD2-ND1 3.76Å; H36-H42 AromaticContact CE1-ND1 3.64Å; H36-H42 AromaticContact NE2-CE1 3.93Å; H36-H42 AromaticContact NE2-CG 3.85Å; H36-H42 AromaticContact NE2-ND1 3.07Å; H36-H42 PolarHBondContact NE2-ND1 3.36Å; H36-H42 WeakPolarHBondContact O-CB 3.37Å
37I92.6Very high90.7Very high62 Ų6291.1 Ų91.132%0.31843%0.431SS..Hα-helixtrans-61.1-37.6178.7-62.9-56.5000110.7F33 D34 S39 H42F33-I37 HydrophobicContact CD1-CG1 4.11Å; F33-I37 HydrophobicContact CE1-CD1 4.2Å; F33-I37 HydrophobicContact CE1-CG1 3.75Å; F33-I37 HydrophobicContact CE2-CD1 4.02Å; F33-I37 HydrophobicContact CE2-CG1 4.21Å; F33-I37 HydrophobicContact CG-CG1 4.5Å; F33-I37 HydrophobicContact CZ-CD1 3.74Å; F33-I37 HydrophobicContact CZ-CG1 3.82Å; F33-I37 WeakPolarHBondContact O-CG1 3.35Å; F33-I37 PolarHBondContact O-N 3.45Å; D34-I37 PolarHBondContact O-N 2.83Å; I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 2.88Å; I37-H42 WeakPolarHBondContact CD1-NE2 3.46Å; I37-H42 PolarHBondContact O-CD2 3.29Å
38N92.3Very high90.8Very high113 Ų11393.1 Ų93.160%0.60444%0.443SS*.THydrogen-bonded Turntrans-79.3-5.6175.8-67-42.8000113.8D34 H36D34-N38 WeakPolarHBondContact O-CB 3.46Å; D34-N38 VanDerWaalsContact O-CG 3.31Å; D34-N38 PolarHBondContact O-N 3.06Å; D34-N38 PolarHBondContact O-ND2 3.25Å; D34-N38 PolarHBondContact OD1-ND2 3.27Å; H36-N38 PolarHBondContact O-N 3.2Å
39S93.3Very high91.2Very high36 Ų3689.5 Ų89.525%0.25242%0.421SS..SBendtrans-71.7145.6-179.875.70000111.8N35 H36 I37 D41 H42 A43N35-S39 WeakPolarHBondContact O-CB 3.4Å; N35-S39 PolarHBondContact O-N 3.46Å; H36-S39 VanDerWaalsContact O-CB 3.22Å; H36-S39 WeakPolarHBondContact O-CB 3.41Å; H36-S39 PolarHBondContact O-N 3.33Å; H36-S39 PolarHBondContact O-OG 2.86Å; I37-S39 VanDerWaalsContact C-N 3.27Å; I37-S39 PolarHBondContact O-N 2.88Å; S39-D41 VanDerWaalsContact C-N 3.3Å; S39-D41 PolarHBondContact O-N 3.12Å; S39-H42 PolarHBondContact O-N 3.37Å; S39-H42 WeakPolarHBondContact OG-CB 3.5Å; S39-H42 PolarHBondContact OG-N 3.08Å; S39-A43 PolarHBondContact O-N 2.84Å; S39-A43 VanDerWaalsContact O-N 3.09Å
40Y93.9Very high91.3Very high187 Ų18787.5 Ų87.573%0.73342%0.418SS*.Hα-helixtrans-57.7-41.9179.6-179.8-97.7000112.7A43 H44Y40-A43 PolarHBondContact O-N 2.96Å; Y40-H44 VanDerWaalsContact O-CB 3.3Å; Y40-H44 WeakPolarHBondContact O-CB 3.42Å; Y40-H44 PolarHBondContact O-N 3.13Å
41D92.2Very high91.6Very high111 Ų11186.2 Ų86.259%0.59442%0.415SS*.Hα-helixtrans-62-45-179.9-174.6-100.5000111.8S39 H44 K45S39-D41 VanDerWaalsContact C-N 3.3Å; S39-D41 PolarHBondContact O-N 3.12Å; D41-H44 PolarHBondContact O-N 2.94Å; D41-K45 WeakPolarHBondContact O-CB 3.36Å; D41-K45 PolarHBondContact O-N 3.33Å
42H94.3Very high91.6Very high6 Ų685.9 Ų85.93%0.02841%0.413CS..Hα-helixtrans-61.6-50.8177-178.485.3000111.4C20 H36 I37 S39 H44 K45 Q46C20-H42 PolarHBondContact SG-CE1 3.42Å; C20-H42 PolarHBondContact SG-ND1 3.46Å; H36-H42 AromaticContact CD2-ND1 3.76Å; H36-H42 AromaticContact CE1-ND1 3.64Å; H36-H42 AromaticContact NE2-CE1 3.93Å; H36-H42 AromaticContact NE2-CG 3.85Å; H36-H42 AromaticContact NE2-ND1 3.07Å; H36-H42 PolarHBondContact NE2-ND1 3.36Å; H36-H42 WeakPolarHBondContact O-CB 3.37Å; I37-H42 WeakPolarHBondContact CD1-NE2 3.46Å; I37-H42 PolarHBondContact O-CD2 3.29Å; S39-H42 PolarHBondContact O-N 3.37Å; S39-H42 WeakPolarHBondContact OG-CB 3.5Å; S39-H42 PolarHBondContact OG-N 3.08Å; H42-H44 VanDerWaalsContact C-N 3.28Å; H42-H44 PolarHBondContact O-N 3.48Å; H42-K45 PolarHBondContact O-N 3.37Å; H42-Q46 WeakPolarHBondContact O-CB 3.36Å; H42-Q46 PolarHBondContact O-N 3.37Å
43A92.7Very high91.5Very high44 Ų4487.6 Ų87.636%0.36442%0.421SS..Hα-helixtrans-59.8-39.8179.400000112S39 Y40 R47S39-A43 PolarHBondContact O-N 2.84Å; S39-A43 VanDerWaalsContact O-N 3.09Å; Y40-A43 PolarHBondContact O-N 2.96Å; A43-R47 WeakPolarHBondContact O-CB 3.36Å; A43-R47 PolarHBondContact O-N 2.83Å
44H94.1Very high91.3Very high102 Ų10293.4 Ų93.447%0.47244%0.442SS..Hα-helixtrans-67-43.3177.5-169.9-86.8000111.7Y40 D41 H42 R47 L48Y40-H44 VanDerWaalsContact O-CB 3.3Å; Y40-H44 WeakPolarHBondContact O-CB 3.42Å; Y40-H44 PolarHBondContact O-N 3.13Å; D41-H44 PolarHBondContact O-N 2.94Å; H42-H44 VanDerWaalsContact C-N 3.28Å; H42-H44 PolarHBondContact O-N 3.48Å; H44-R47 PolarHBondContact O-N 2.9Å; H44-L48 WeakPolarHBondContact O-CB 3.33Å; H44-L48 PolarHBondContact O-N 3.19Å
45K91.9Very high91.1Very high79 Ų7993.9 Ų93.934%0.34344%0.442SS..Hα-helixtrans-65.2-40.7177.6-166.4178.3-166.9-177.90112.2L22 D41 H42 L48 K49L22-K45 WeakPolarHBondContact O-CD 3.38Å; L22-K45 WeakPolarHBondContact O-CE 3.49Å; L22-K45 PolarHBondContact O-NZ 3.37Å; D41-K45 WeakPolarHBondContact O-CB 3.36Å; D41-K45 PolarHBondContact O-N 3.33Å; H42-K45 PolarHBondContact O-N 3.37Å; K45-L48 PolarHBondContact O-N 2.95Å; K45-K49 PolarHBondContact O-N 3.35Å; K45-K49 VanDerWaalsContact O-N 3.13Å
46Q91.9Very high90.8Very high88 Ų8896.2 Ų96.241%0.41145%0.449SS..Hα-helixtrans-59.8-53174.4-176.3176.96400110.5L22 H42 L48 K49 E50L22-Q46 HydrophobicContact CD1-CB 3.7Å; L22-Q46 HydrophobicContact CD1-CG 3.89Å; H42-Q46 WeakPolarHBondContact O-CB 3.36Å; H42-Q46 PolarHBondContact O-N 3.37Å; Q46-L48 VanDerWaalsContact C-N 3.29Å; Q46-L48 PolarHBondContact O-N 3.44Å; Q46-K49 PolarHBondContact O-N 3.42Å; Q46-K49 VanDerWaalsContact O-N 3.16Å; Q46-E50 WeakPolarHBondContact O-CG 3.49Å; Q46-E50 PolarHBondContact O-N 3.48Å
47R90.6Very high90.4Very high172 Ų17299 Ų9965%0.64947%0.467SS*.Hα-helixtrans-58.4-40.1179-175.8173.9-68.1-144.4-1.3112.5A43 H44 E50 L51A43-R47 WeakPolarHBondContact O-CB 3.36Å; A43-R47 PolarHBondContact O-N 2.83Å; H44-R47 PolarHBondContact O-N 2.9Å; R47-E50 PolarHBondContact O-N 2.73Å; R47-L51 HydrophobicContact CG-CD1 4.09Å; R47-L51 HydrophobicContact CG-CG 4.42Å; R47-L51 WeakPolarHBondContact O-CB 3.49Å; R47-L51 VanDerWaalsContact O-CG 3.26Å; R47-L51 WeakPolarHBondContact O-CG 3.05Å; R47-L51 PolarHBondContact O-N 2.59Å
48L90.7Very high90Very high84 Ų84101.8 Ų101.844%0.4447%0.473SS..Hα-helixtrans-62.8-46.4177.9-178.362.1000111.8H44 K45 Q46 L51 Q52H44-L48 WeakPolarHBondContact O-CB 3.33Å; H44-L48 PolarHBondContact O-N 3.19Å; K45-L48 PolarHBondContact O-N 2.95Å; Q46-L48 VanDerWaalsContact C-N 3.29Å; Q46-L48 PolarHBondContact O-N 3.44Å; L48-L51 PolarHBondContact O-N 2.89Å; L48-Q52 HydrophobicContact CD1-CG 4.48Å; L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 WeakPolarHBondContact O-CG 3.32Å; L48-Q52 PolarHBondContact O-N 3Å
49K89.7Confident89.6Confident90 Ų90100.6 Ų100.639%0.39147%0.467SS..Hα-helixtrans-63-41.7177-80.2-175.8178.7-173.80111.8L22 K45 Q46 Q52 H53L22-K49 HydrophobicContact CD2-CD 3.75Å; K45-K49 PolarHBondContact O-N 3.35Å; K45-K49 VanDerWaalsContact O-N 3.13Å; Q46-K49 PolarHBondContact O-N 3.42Å; Q46-K49 VanDerWaalsContact O-N 3.16Å; K49-Q52 PolarHBondContact O-N 3.5Å; K49-H53 WeakPolarHBondContact O-CB 3.1Å; K49-H53 PolarHBondContact O-N 3.47Å
50E88.4Confident89.3Confident123 Ų123102.2 Ų102.258%0.57548%0.475SS*.Hα-helixtrans-62.2-44.1176.3-72.2-175.897.100112Q46 R47 H53 R54Q46-E50 WeakPolarHBondContact O-CG 3.49Å; Q46-E50 PolarHBondContact O-N 3.48Å; R47-E50 PolarHBondContact O-N 2.73Å; E50-H53 PolarHBondContact O-N 2.87Å; E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 3.11Å
51L90.7Very high88.7Confident90 Ų9096.1 Ų96.147%0.47146%0.463SS..Hα-helixtrans-61.5-46.6175.5-73.6172.3000111.3R47 L48 H53 R54 E55R47-L51 HydrophobicContact CG-CD1 4.09Å; R47-L51 HydrophobicContact CG-CG 4.42Å; R47-L51 WeakPolarHBondContact O-CB 3.49Å; R47-L51 VanDerWaalsContact O-CG 3.26Å; R47-L51 WeakPolarHBondContact O-CG 3.05Å; R47-L51 PolarHBondContact O-N 2.59Å; L48-L51 PolarHBondContact O-N 2.89Å; L51-H53 PolarHBondContact O-N 3.12Å; L51-R54 PolarHBondContact O-N 2.94Å; L51-E55 WeakPolarHBondContact O-CG 3.38Å; L51-E55 PolarHBondContact O-N 3.38Å
52Q87.9Confident88Confident119 Ų11993.6 Ų93.656%0.55645%0.454SS*.Hα-helixtrans-61-43.2176.9-74.2178.3-3400112.2L48 K49 E55 F56L48-Q52 HydrophobicContact CD1-CG 4.48Å; L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 WeakPolarHBondContact O-CG 3.32Å; L48-Q52 PolarHBondContact O-N 3Å; K49-Q52 PolarHBondContact O-N 3.5Å; Q52-E55 PolarHBondContact O-N 2.86Å; Q52-F56 WeakPolarHBondContact O-CB 3.46Å; Q52-F56 PolarHBondContact O-N 2.86Å
53H87.6Confident87.4Confident123 Ų123100.4 Ų100.457%0.56948%0.484SS*.Hα-helixtrans-63.4-44.4177.5-174.375000111.3K49 E50 L51 E55 F56 V57K49-H53 WeakPolarHBondContact O-CB 3.1Å; K49-H53 PolarHBondContact O-N 3.47Å; E50-H53 PolarHBondContact O-N 2.87Å; L51-H53 PolarHBondContact O-N 3.12Å; H53-E55 VanDerWaalsContact C-N 3.35Å; H53-E55 PolarHBondContact O-N 2.9Å; H53-F56 WeakPolarHBondContact O-CB 3.48Å; H53-F56 PolarHBondContact O-N 2.89Å; H53-V57 WeakPolarHBondContact O-CG2 3.48Å; H53-V57 PolarHBondContact O-N 3.07Å
54R87.4Confident86.9Confident160 Ų160101.4 Ų101.460%0.60449%0.488SS*.Hα-helixtrans-60.4-44.1176.4-175.8179.2-179.8-175.50.5112.1E50 L51 F56 V57 R58E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 3.11Å; L51-R54 PolarHBondContact O-N 2.94Å; R54-F56 VanDerWaalsContact C-N 3.35Å; R54-V57 PolarHBondContact O-N 3.48Å; R54-R58 WeakPolarHBondContact O-CB 3.5Å; R54-R58 PolarHBondContact O-N 3.39Å
55E85.7Confident86.3Confident80 Ų80105.4 Ų105.437%0.37450%0.499SS..Hα-helixtrans-65.3-39175.8-70.2-57128.700111.6L51 Q52 H53 R58 N59L51-E55 WeakPolarHBondContact O-CG 3.38Å; L51-E55 PolarHBondContact O-N 3.38Å; Q52-E55 PolarHBondContact O-N 2.86Å; H53-E55 VanDerWaalsContact C-N 3.35Å; H53-E55 PolarHBondContact O-N 2.9Å; E55-R58 VanDerWaalsContact CD-NH1 3.3Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-R58 IonicContact OE1-CZ 3.48Å; E55-R58 IonicContact OE1-NH1 2.68Å; E55-R58 PolarHBondContact OE1-NH1 3.31Å; E55-R58 IonicContact OE1-NH2 3.86Å; E55-R58 IonicContact OE2-NH1 3.15Å; E55-R58 PolarHBondContact OE2-NH1 3.31Å; E55-R58 VanDerWaalsContact OE2-NH1 3.15Å; E55-N59 WeakPolarHBondContact O-CB 3.49Å; E55-N59 PolarHBondContact O-N 3.3Å; E55-N59 PolarHBondContact O-ND2 3.29Å
56F86.2Confident86.1Confident135 Ų135108.5 Ų108.559%0.59251%0.513SS*.Hα-helixtrans-61.4-50.6174.9179.2-101.5000111.4Q52 H53 R54 R58 N59 V60Q52-F56 WeakPolarHBondContact O-CB 3.46Å; Q52-F56 PolarHBondContact O-N 2.86Å; H53-F56 WeakPolarHBondContact O-CB 3.48Å; H53-F56 PolarHBondContact O-N 2.89Å; R54-F56 VanDerWaalsContact C-N 3.35Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.19Å; F56-N59 PolarHBondContact O-N 2.79Å; F56-N59 VanDerWaalsContact O-N 3.12Å; F56-V60 HydrophobicContact CD1-CG2 4.04Å; F56-V60 HydrophobicContact CD2-CG2 4.17Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 3.77Å; F56-V60 HydrophobicContact CG-CG2 4.3Å; F56-V60 HydrophobicContact CZ-CG2 3.49Å; F56-V60 VanDerWaalsContact CZ-CG2 3.49Å; F56-V60 WeakPolarHBondContact O-CG2 3.27Å; F56-V60 PolarHBondContact O-N 2.86Å
57V85Confident85.9Confident76 Ų76109.2 Ų109.246%0.46152%0.52SS..Hα-helixtrans-58-43.6177.8172.80000110.9H53 R54 N59 V60 A61H53-V57 WeakPolarHBondContact O-CG2 3.48Å; H53-V57 PolarHBondContact O-N 3.07Å; R54-V57 PolarHBondContact O-N 3.48Å; V57-N59 PolarHBondContact O-N 3.45Å; V57-V60 PolarHBondContact O-N 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.38Å; V57-A61 PolarHBondContact O-N 3.37Å
58R83.8Confident85.8Confident120 Ų120106.6 Ų106.645%0.45351%0.514SS..Hα-helixtrans-60.9-46175.4-175.4-170.2-73150.6-0.7111.8R54 E55 F56 A61 S62R54-R58 WeakPolarHBondContact O-CB 3.5Å; R54-R58 PolarHBondContact O-N 3.39Å; E55-R58 VanDerWaalsContact CD-NH1 3.3Å; E55-R58 PolarHBondContact O-N 3.13Å; E55-R58 IonicContact OE1-CZ 3.48Å; E55-R58 IonicContact OE1-NH1 2.68Å; E55-R58 PolarHBondContact OE1-NH1 3.31Å; E55-R58 IonicContact OE1-NH2 3.86Å; E55-R58 IonicContact OE2-NH1 3.15Å; E55-R58 PolarHBondContact OE2-NH1 3.31Å; E55-R58 VanDerWaalsContact OE2-NH1 3.15Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.19Å; R58-A61 PolarHBondContact O-N 3.36Å; R58-S62 VanDerWaalsContact O-CB 3.3Å; R58-S62 WeakPolarHBondContact O-CB 3.43Å; R58-S62 PolarHBondContact O-N 2.69Å; R58-S62 PolarHBondContact O-OG 3.06Å
59N84.3Confident85.8Confident88 Ų88111.3 Ų111.347%0.47153%0.526SS..Hα-helixtrans-66.4-41.3-179.6-82.8-58.2000112.5E55 F56 V57 S62 K63E55-N59 WeakPolarHBondContact O-CB 3.49Å; E55-N59 PolarHBondContact O-N 3.3Å; E55-N59 PolarHBondContact O-ND2 3.29Å; F56-N59 PolarHBondContact O-N 2.79Å; F56-N59 VanDerWaalsContact O-N 3.12Å; V57-N59 PolarHBondContact O-N 3.45Å; N59-S62 PolarHBondContact O-N 3.42Å; N59-K63 WeakPolarHBondContact O-CB 3.26Å; N59-K63 PolarHBondContact O-N 3.27Å
60V86.4Confident86Confident69 Ų69114.2 Ų114.242%0.41854%0.539SS..Hα-helixtrans-63.3-47.6175.5171.70000110.5F56 V57 S62 K63 S64F56-V60 HydrophobicContact CD1-CG2 4.04Å; F56-V60 HydrophobicContact CD2-CG2 4.17Å; F56-V60 HydrophobicContact CE1-CG2 3.63Å; F56-V60 HydrophobicContact CE2-CG2 3.77Å; F56-V60 HydrophobicContact CG-CG2 4.3Å; F56-V60 HydrophobicContact CZ-CG2 3.49Å; F56-V60 VanDerWaalsContact CZ-CG2 3.49Å; F56-V60 WeakPolarHBondContact O-CG2 3.27Å; F56-V60 PolarHBondContact O-N 2.86Å; V57-V60 PolarHBondContact O-N 3.28Å; V60-S62 VanDerWaalsContact C-N 3.29Å; V60-S62 PolarHBondContact O-N 2.91Å; V60-K63 PolarHBondContact O-N 3.32Å; V60-S64 VanDerWaalsContact O-CB 3.23Å; V60-S64 WeakPolarHBondContact O-CB 3.43Å; V60-S64 PolarHBondContact O-N 3.36Å
61A80.6Confident86.1Confident59 Ų59113.9 Ų113.949%0.48854%0.537SS..Hα-helixtrans-59.1-42.4176.500000111.8V57 R58 S64 W65V57-A61 WeakPolarHBondContact O-CB 3.38Å; V57-A61 PolarHBondContact O-N 3.37Å; R58-A61 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.16Å; A61-W65 PolarHBondContact O-N 2.93Å; A61-W65 VanDerWaalsContact O-N 3.08Å
62S77.1Confident86.3Confident59 Ų59114.1 Ų114.141%0.41354%0.536SS..Hα-helixtrans-68.7-38-179.3-590000113R58 N59 V60R58-S62 VanDerWaalsContact O-CB 3.3Å; R58-S62 WeakPolarHBondContact O-CB 3.43Å; R58-S62 PolarHBondContact O-N 2.69Å; R58-S62 PolarHBondContact O-OG 3.06Å; N59-S62 PolarHBondContact O-N 3.42Å; V60-S62 VanDerWaalsContact C-N 3.29Å; V60-S62 PolarHBondContact O-N 2.91Å
63K82Confident86.6Confident148 Ų148114.6 Ų114.664%0.64354%0.536SS*.Hα-helixtrans-68.6-46.4172.7-80.7179.6172.41750111.2N59 V60 W65 K66 D67N59-K63 WeakPolarHBondContact O-CB 3.26Å; N59-K63 PolarHBondContact O-N 3.27Å; V60-K63 PolarHBondContact O-N 3.32Å; K63-W65 PolarHBondContact O-N 3.46Å; K63-K66 PolarHBondContact O-N 2.98Å; K63-K66 VanDerWaalsContact O-N 3.13Å; K63-D67 PolarHBondContact O-N 2.86Å
64S82.4Confident87Confident66 Ų66111 Ų11146%0.46253%0.529SS..Hα-helixtrans-55.8-47.6-179.2-179.10000111.9V60 A61 K66 D67 Q68V60-S64 VanDerWaalsContact O-CB 3.23Å; V60-S64 WeakPolarHBondContact O-CB 3.43Å; V60-S64 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.16Å; S64-K66 VanDerWaalsContact C-N 3.34Å; S64-K66 PolarHBondContact O-N 3.13Å; S64-D67 PolarHBondContact O-N 3.35Å; S64-Q68 VanDerWaalsContact O-CB 3.3Å; S64-Q68 WeakPolarHBondContact O-CB 3.32Å; S64-Q68 PolarHBondContact O-N 2.95Å
65W81.7Confident87.4Confident186 Ų186108.2 Ų108.271%0.70553%0.525SS*.Hα-helixtrans-63.1-38178.7-177.847.4000113.4A61 K63 R69A61-W65 PolarHBondContact O-N 2.93Å; A61-W65 VanDerWaalsContact O-N 3.08Å; K63-W65 PolarHBondContact O-N 3.46Å; W65-R69 WeakPolarHBondContact O-CB 3.45Å; W65-R69 PolarHBondContact O-N 2.77Å; W65-R69 VanDerWaalsContact O-N 3.12Å
66K88.6Confident87.9Confident144 Ų144112 Ų11263%0.62654%0.536SS*.Hα-helixtrans-67.5-43.1176.9-74.4-178.6-178.5-179.70111.9K63 S64 R69 K70K63-K66 PolarHBondContact O-N 2.98Å; K63-K66 VanDerWaalsContact O-N 3.13Å; S64-K66 VanDerWaalsContact C-N 3.34Å; S64-K66 PolarHBondContact O-N 3.13Å; K66-R69 PolarHBondContact O-N 3.12Å; K66-K70 PolarHBondContact O-N 3.18Å
67D87.1Confident88.3Confident103 Ų103112.6 Ų112.655%0.55153%0.534SS*.Hα-helixtrans-65.9-45.3177-98.8-81.9000111.5K63 S64 R69 K70 Q71K63-D67 PolarHBondContact O-N 2.86Å; S64-D67 PolarHBondContact O-N 3.35Å; D67-R69 VanDerWaalsContact C-N 3.27Å; D67-R69 PolarHBondContact O-N 3.2Å; D67-K70 PolarHBondContact O-N 3.23Å; D67-Q71 PolarHBondContact O-N 2.88Å
68Q88.3Confident88.9Confident116 Ų116114.3 Ų114.354%0.54254%0.54SS..Hα-helixtrans-52.8-45.7174.7-168.58436.500111.3S64 K70 Q71 E72S64-Q68 VanDerWaalsContact O-CB 3.3Å; S64-Q68 WeakPolarHBondContact O-CB 3.32Å; S64-Q68 PolarHBondContact O-N 2.95Å; Q68-K70 PolarHBondContact O-N 3.15Å; Q68-Q71 PolarHBondContact O-N 2.68Å; Q68-E72 WeakPolarHBondContact O-CB 3.43Å; Q68-E72 PolarHBondContact O-N 3.37Å
69R91.6Very high89.5Confident183 Ų183114.2 Ų114.269%0.69154%0.544SS*.Hα-helixtrans-66.2-37.2179.9-168.1177.8-174.9-166.12.1112.8W65 K66 D67 K73W65-R69 WeakPolarHBondContact O-CB 3.45Å; W65-R69 PolarHBondContact O-N 2.77Å; W65-R69 VanDerWaalsContact O-N 3.12Å; K66-R69 PolarHBondContact O-N 3.12Å; D67-R69 VanDerWaalsContact C-N 3.27Å; D67-R69 PolarHBondContact O-N 3.2Å; R69-K73 PolarHBondContact O-N 2.88Å
70K92.6Very high90Very high151 Ų151115.7 Ų115.766%0.65755%0.548SS*.Hα-helixtrans-67.4-44.6174.6-74.2-179.2-175.6176.90111K66 D67 Q68 K73 A74K66-K70 PolarHBondContact O-N 3.18Å; D67-K70 PolarHBondContact O-N 3.23Å; Q68-K70 PolarHBondContact O-N 3.15Å; K70-K73 PolarHBondContact O-N 2.82Å; K70-A74 PolarHBondContact O-N 3.35Å
71Q92Very high90.5Very high116 Ų116117.5 Ų117.554%0.54256%0.555SS.*Hα-helixtrans-61.5-44.9178.5-172.1179.7-5.300111.2D67 Q68 K73 A74 L75D67-Q71 PolarHBondContact O-N 2.88Å; Q68-Q71 PolarHBondContact O-N 2.68Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 3.34Å; Q71-A74 PolarHBondContact O-N 3.2Å; Q71-L75 HydrophobicContact CG-CD1 4.24Å; Q71-L75 WeakPolarHBondContact O-CG 3.4Å; Q71-L75 PolarHBondContact O-N 3.48Å
72E93.4Very high91.2Very high96 Ų96117.2 Ų117.245%0.44955%0.553SS.*Hα-helixtrans-59.3-44.2176.3-167.9-163.9120.700111.5Q68 A74 L75 R76Q68-E72 WeakPolarHBondContact O-CB 3.43Å; Q68-E72 PolarHBondContact O-N 3.37Å; E72-A74 VanDerWaalsContact C-N 3.34Å; E72-A74 PolarHBondContact O-N 3.07Å; E72-L75 PolarHBondContact O-N 3.44Å; E72-R76 WeakPolarHBondContact O-CG 3.5Å; E72-R76 PolarHBondContact O-N 3.2Å; E72-R76 IonicContact OE1-CZ 3.31Å; E72-R76 VanDerWaalsContact OE1-CZ 3.31Å; E72-R76 IonicContact OE1-NE 2.83Å; E72-R76 PolarHBondContact OE1-NE 3.28Å; E72-R76 IonicContact OE1-NH2 2.88Å; E72-R76 PolarHBondContact OE1-NH2 2.96Å
73K95.2Very high92Very high128 Ų128118.8 Ų118.856%0.55755%0.554SS**Hα-helixtrans-64.4-38.9178.2-168.3175.4-175.8177.20112.1R69 K70 Q71 R77R69-K73 PolarHBondContact O-N 2.88Å; K70-K73 PolarHBondContact O-N 2.82Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 3.34Å; K73-R77 WeakPolarHBondContact O-CG 3.43Å; K73-R77 PolarHBondContact O-N 2.94Å; K73-R77 VanDerWaalsContact O-N 3.1Å
74A95.1Very high92.7Very high49 Ų49116.8 Ų116.841%0.40555%0.55SS..Hα-helixtrans-64.9-45.1175.500000111.4K70 Q71 E72 R76 R77 L78K70-A74 PolarHBondContact O-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.2Å; E72-A74 VanDerWaalsContact C-N 3.34Å; E72-A74 PolarHBondContact O-N 3.07Å; A74-R76 PolarHBondContact O-N 2.93Å; A74-R77 PolarHBondContact O-N 3.42Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.2Å
75L96.4Very high93.2Very high101 Ų101119.9 Ų119.953%0.52956%0.557SS.*Hα-helixtrans-60.5-43.4175.7-73.5171.9000112Q71 E72 R77 L78 H79Q71-L75 HydrophobicContact CG-CD1 4.24Å; Q71-L75 WeakPolarHBondContact O-CG 3.4Å; Q71-L75 PolarHBondContact O-N 3.48Å; E72-L75 PolarHBondContact O-N 3.44Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.01Å; L75-L78 PolarHBondContact O-N 3.2Å; L75-H79 WeakPolarHBondContact O-CB 3.12Å; L75-H79 PolarHBondContact O-N 3.46Å
76R95.3Very high93.7Very high158 Ų158116.5 Ų116.560%0.59655%0.549SS*.Hα-helixtrans-59.8-42.4175-74.3-179.8-174.4-912.1112.2E72 A74 H79 Q80E72-R76 WeakPolarHBondContact O-CG 3.5Å; E72-R76 PolarHBondContact O-N 3.2Å; E72-R76 IonicContact OE1-CZ 3.31Å; E72-R76 VanDerWaalsContact OE1-CZ 3.31Å; E72-R76 IonicContact OE1-NE 2.83Å; E72-R76 PolarHBondContact OE1-NE 3.28Å; E72-R76 IonicContact OE1-NH2 2.88Å; E72-R76 PolarHBondContact OE1-NH2 2.96Å; A74-R76 PolarHBondContact O-N 2.93Å; R76-H79 PolarHBondContact O-N 2.87Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 3.43Å
77R96Very high93.8Very high149 Ų149115.5 Ų115.556%0.56255%0.546SS*.Hα-helixtrans-64.3-44.5176.5-74.4177.8175.5-163.6-4.4112K73 A74 L75 H79 Q80 L81K73-R77 WeakPolarHBondContact O-CG 3.43Å; K73-R77 PolarHBondContact O-N 2.94Å; K73-R77 VanDerWaalsContact O-N 3.1Å; A74-R77 PolarHBondContact O-N 3.42Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.01Å; R77-H79 VanDerWaalsContact C-N 3.3Å; R77-H79 PolarHBondContact O-N 3.38Å; R77-Q80 PolarHBondContact O-N 3.26Å; R77-L81 WeakPolarHBondContact O-CG 3.3Å; R77-L81 PolarHBondContact O-N 3.1Å
78L96.4Very high93.8Very high111 Ų111115.4 Ų115.458%0.58155%0.554SS**Hα-helixtrans-59.5-43.6175.5-74.1167.5000111.2A74 L75 L81 A82A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.2Å; L75-L78 PolarHBondContact O-N 3.2Å; L78-L81 PolarHBondContact O-N 3.02Å; L78-A82 PolarHBondContact O-N 2.62Å
79H96.3Very high93.4Very high118 Ų118117.6 Ų117.655%0.54656%0.564SS.*Hα-helixtrans-61.6-44.9177.2-166.992.7000112.1L75 R76 R77 L81 A82 Q83L75-H79 WeakPolarHBondContact O-CB 3.12Å; L75-H79 PolarHBondContact O-N 3.46Å; R76-H79 PolarHBondContact O-N 2.87Å; R77-H79 VanDerWaalsContact C-N 3.3Å; R77-H79 PolarHBondContact O-N 3.38Å; H79-L81 PolarHBondContact O-N 3.43Å; H79-A82 PolarHBondContact O-N 2.98Å; H79-Q83 PolarHBondContact CD2-NE2 3.31Å; H79-Q83 PolarHBondContact NE2-NE2 2.83Å; H79-Q83 VanDerWaalsContact NE2-NE2 3.11Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.38Å
80Q96.3Very high92.5Very high119 Ų119120.7 Ų120.756%0.55658%0.576SS**Hα-helixtrans-60.6-43.5175.9-74.9175.9-27.400112.4R76 R77 Q83 L84R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 3.43Å; R77-Q80 PolarHBondContact O-N 3.26Å; Q80-Q83 PolarHBondContact O-N 2.9Å; Q80-L84 WeakPolarHBondContact O-CG 3.22Å; Q80-L84 PolarHBondContact O-N 3.18Å; Q80-L84 VanDerWaalsContact O-N 3.11Å
81L96.1Very high92.5Very high107 Ų107119.2 Ų119.256%0.5657%0.572SS**Hα-helixtrans-63.7-41.4177.5-69.8171.9000111.9R77 L78 H79 Q83 L84 Q85R77-L81 WeakPolarHBondContact O-CG 3.3Å; R77-L81 PolarHBondContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 3.02Å; H79-L81 PolarHBondContact O-N 3.43Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.09Å; L81-L84 PolarHBondContact O-N 3.28Å; L81-Q85 PolarHBondContact O-N 3.33Å
82A94.9Very high92.5Very high54 Ų54119.4 Ų119.445%0.44657%0.574SS.*Hα-helixtrans-62.8-39.7176.800000112L78 H79 Q85 Q86L78-A82 PolarHBondContact O-N 2.62Å; H79-A82 PolarHBondContact O-N 2.98Å; A82-Q85 PolarHBondContact O-N 3.34Å; A82-Q86 WeakPolarHBondContact O-CB 3.33Å; A82-Q86 PolarHBondContact O-N 3Å
83Q94.9Very high92.5Very high92 Ų92120.7 Ų120.743%0.4358%0.58SS.*Hα-helixtrans-61.1-49.2175.1-72.9175.5-32.200111.7H79 Q80 L81 Q85 Q86 E87H79-Q83 PolarHBondContact CD2-NE2 3.31Å; H79-Q83 PolarHBondContact NE2-NE2 2.83Å; H79-Q83 VanDerWaalsContact NE2-NE2 3.11Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.38Å; Q80-Q83 PolarHBondContact O-N 2.9Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.09Å; Q83-Q85 VanDerWaalsContact C-N 3.32Å; Q83-Q85 PolarHBondContact O-N 3.41Å; Q83-Q86 WeakPolarHBondContact O-CB 3.44Å; Q83-Q86 PolarHBondContact O-N 3.3Å; Q83-Q86 VanDerWaalsContact O-N 3.08Å; Q83-E87 WeakPolarHBondContact O-CG 3.43Å; Q83-E87 PolarHBondContact O-N 3.49Å
84L95.4Very high92.3Very high106 Ų106120.2 Ų120.256%0.55558%0.582SS**Hα-helixtrans-61-39.5178.3-69.7172.4000112.6Q80 L81 Q86 E87 S88Q80-L84 WeakPolarHBondContact O-CG 3.22Å; Q80-L84 PolarHBondContact O-N 3.18Å; Q80-L84 VanDerWaalsContact O-N 3.11Å; L81-L84 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-E87 PolarHBondContact O-N 3.17Å; L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 2.99Å
85Q93.6Very high92.1Very high130 Ų130124.7 Ų124.761%0.60759%0.593SS**Hα-helixtrans-63.8-39174.5-78.1-166.6-45.200112.1L81 A82 Q83 S88 Q89L81-Q85 PolarHBondContact O-N 3.33Å; A82-Q85 PolarHBondContact O-N 3.34Å; Q83-Q85 VanDerWaalsContact C-N 3.32Å; Q83-Q85 PolarHBondContact O-N 3.41Å; Q85-S88 PolarHBondContact O-N 2.86Å; Q85-Q89 WeakPolarHBondContact O-CG 3.45Å; Q85-Q89 PolarHBondContact O-N 2.92Å
86Q92.6Very high91.8Very high116 Ų116126.3 Ų126.354%0.54260%0.597SS.*Hα-helixtrans-68.8-37.8177.8-162.8179.211.700111.7A82 Q83 L84 Q89 R90A82-Q86 WeakPolarHBondContact O-CB 3.33Å; A82-Q86 PolarHBondContact O-N 3Å; Q83-Q86 WeakPolarHBondContact O-CB 3.44Å; Q83-Q86 PolarHBondContact O-N 3.3Å; Q83-Q86 VanDerWaalsContact O-N 3.08Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; Q86-Q89 PolarHBondContact O-N 3.35Å; Q86-R90 PolarHBondContact O-N 2.94Å
87E90.4Very high91.6Very high122 Ų122124 Ų12457%0.5760%0.597SS**Hα-helixtrans-66.5-39.8173.3-70.5-179.6113.200112.1Q83 L84 Q89 R90Q83-E87 WeakPolarHBondContact O-CG 3.43Å; Q83-E87 PolarHBondContact O-N 3.49Å; L84-E87 PolarHBondContact O-N 3.17Å; E87-Q89 PolarHBondContact O-N 3.04Å; E87-R90 PolarHBondContact O-N 3.33Å
88S87.3Confident91.3Very high102 Ų102122.1 Ų122.171%0.71360%0.6SS**Hα-helixtrans-68.7-20.1176.5-178.40000114L84 Q85L84-S88 WeakPolarHBondContact O-CB 3.32Å; L84-S88 PolarHBondContact O-N 2.99Å; Q85-S88 PolarHBondContact O-N 2.86Å
89Q80.1Confident90.8Very high161 Ų161123 Ų12375%0.75260%0.602SS**THydrogen-bonded Turntrans-92.3-6.2177.1-74176.840.800113Q85 Q86 E87Q85-Q89 WeakPolarHBondContact O-CG 3.45Å; Q85-Q89 PolarHBondContact O-N 2.92Å; Q86-Q89 PolarHBondContact O-N 3.35Å; E87-Q89 PolarHBondContact O-N 3.04Å
90R72.1Confident90.3Very high249 Ų249123.5 Ų123.594%0.9461%0.607SS**  trans-89.60172.2-76.4-179.7177176.60.8110.8Q86 E87Q86-R90 PolarHBondContact O-N 2.94Å; E87-R90 PolarHBondContact O-N 3.33Å

Retrieved 90 of 90 residues in 19.7 ms (Link to these results)