A0A060WF60_ONCMY Loading...

Mitochondrial nucleoid factor 1

AlphaFold DB , UniProt , Accession A0A060WF60, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494110, Length 131 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M50.3Low82.8Confident193 Ų19377.6 Ų77.695%0.95137%0.368SS*.  0141.20-67.6-153.1-81.300109.1A3 T4M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.47Å; M1-T4 PolarHBondContact O-OG1 3.15Å
2S56.8Low84Confident32 Ų3271.5 Ų71.522%0.22434%0.339CS..THydrogen-bonded Turntrans-60.6-33.6-174.952.10000114.3T4 R5 Y6 E43S2-T4 VanDerWaalsContact C-N 3.26Å; S2-T4 PolarHBondContact O-N 3.4Å; S2-R5 WeakPolarHBondContact O-CB 3.46Å; S2-R5 PolarHBondContact O-N 3.27Å; S2-Y6 PolarHBondContact O-N 3.46Å; S2-E43 PolarHBondContact OG-O 3.22Å
3A59.9Low85Confident27 Ų2767 Ų6722%0.22332%0.319CS..Hα-helixtrans-57.7-32.6-17600000114.1M1 E43M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.47Å; A3-E43 HydrophobicContact CB-CB 4.07Å; A3-E43 HydrophobicContact CB-CG 4.36Å
4T80.7Confident85.8Confident83 Ų8373.2 Ų73.251%0.50935%0.348SS..Hα-helixtrans-74.3-25.3175.349.90000112.8M1 S2 R8M1-T4 PolarHBondContact O-OG1 3.15Å; S2-T4 VanDerWaalsContact C-N 3.26Å; S2-T4 PolarHBondContact O-N 3.4Å; T4-R8 WeakPolarHBondContact O-CD 3.49Å; T4-R8 WeakPolarHBondContact O-CG 3.43Å; T4-R8 PolarHBondContact O-N 3.18Å
5R90.1Very high86.5Confident41 Ų4174.9 Ų74.916%0.15536%0.356CS..Hα-helixtrans-76.5-48-177.5-64.1-176.4177.8104.3-2.2112.1S2 R7 R8 F9 F39 D54S2-R5 WeakPolarHBondContact O-CB 3.46Å; S2-R5 PolarHBondContact O-N 3.27Å; R5-R7 VanDerWaalsContact C-N 3.32Å; R5-R7 PolarHBondContact O-N 2.74Å; R5-R8 WeakPolarHBondContact O-CB 3.43Å; R5-R8 PolarHBondContact O-N 2.77Å; R5-R8 VanDerWaalsContact O-N 3.1Å; R5-F9 WeakPolarHBondContact O-CD2 3.4Å; R5-F9 PolarHBondContact O-N 3.03Å; R5-F39 HydrophobicContact CB-CE1 4.47Å; R5-F39 HydrophobicContact CB-CZ 4.44Å; R5-D54 WeakPolarHBondContact CD-OD1 3.48Å; R5-D54 IonicContact CZ-OD1 3.79Å; R5-D54 IonicContact CZ-OD2 3.32Å; R5-D54 VanDerWaalsContact CZ-OD2 3.32Å; R5-D54 IonicContact NE-OD1 2.78Å; R5-D54 PolarHBondContact NE-OD1 3.35Å; R5-D54 IonicContact NE-OD2 3.04Å; R5-D54 PolarHBondContact NE-OD2 3.23Å; R5-D54 IonicContact NH2-OD1 3.93Å; R5-D54 IonicContact NH2-OD2 2.73Å; R5-D54 PolarHBondContact NH2-OD2 3.25Å
6Y93.9Very high87.1Confident52 Ų5271.4 Ų71.420%0.20434%0.338CS..Hα-helixtrans-58-46.1-179.3179.6-129.1000111.4S2 R8 F9 L10 V35 F39 E43S2-Y6 PolarHBondContact O-N 3.46Å; Y6-R8 VanDerWaalsContact C-N 3.32Å; Y6-R8 PolarHBondContact O-N 3.39Å; Y6-F9 PolarHBondContact O-N 2.79Å; Y6-F9 VanDerWaalsContact O-N 3.11Å; Y6-L10 HydrophobicContact CD1-CD1 4.13Å; Y6-L10 HydrophobicContact CD2-CG 4.29Å; Y6-L10 HydrophobicContact CE1-CD1 3.67Å; Y6-L10 HydrophobicContact CE1-CG 4.24Å; Y6-L10 HydrophobicContact CE2-CD1 4.27Å; Y6-L10 HydrophobicContact CE2-CD2 3.84Å; Y6-L10 HydrophobicContact CE2-CG 3.94Å; Y6-L10 WeakPolarHBondContact O-CG 3.17Å; Y6-L10 PolarHBondContact O-N 3.49Å; Y6-V35 HydrophobicContact CD2-CG1 4.33Å; Y6-V35 HydrophobicContact CE2-CG1 4Å; Y6-F39 HydrophobicContact CD2-CB 3.37Å; Y6-F39 AromaticContact CD2-CD1 3.83Å; Y6-F39 HydrophobicContact CD2-CD1 3.83Å; Y6-F39 AromaticContact CD2-CD2 3.88Å; Y6-F39 HydrophobicContact CD2-CD2 3.88Å; Y6-F39 AromaticContact CD2-CG 3.43Å; Y6-F39 HydrophobicContact CD2-CG 3.43Å; Y6-F39 VanDerWaalsContact CD2-CG 3.43Å; Y6-F39 HydrophobicContact CE2-CB 3.57Å; Y6-F39 HydrophobicContact CE2-CG 4.11Å; Y6-F39 HydrophobicContact CG-CB 4.17Å; Y6-F39 HydrophobicContact CG-CD1 4.09Å; Y6-F39 HydrophobicContact CG-CG 4.15Å; Y6-E43 HydrophobicContact CD1-CG 3.93Å
7R94.7Very high87.5Confident134 Ų13472.5 Ų72.551%0.50635%0.352SS..Hα-helixtrans-59.5-39.3175.9-64.3-179.2-165.2143.36.9113.2R5 L10 K11 E43R5-R7 VanDerWaalsContact C-N 3.32Å; R5-R7 PolarHBondContact O-N 2.74Å; R7-L10 PolarHBondContact O-N 3.35Å; R7-K11 PolarHBondContact O-N 3.05Å; R7-E43 IonicContact CZ-OE1 3.74Å; R7-E43 IonicContact CZ-OE2 3.79Å; R7-E43 IonicContact NE-OE1 3.69Å; R7-E43 PolarHBondContact NE-OE1 3.44Å; R7-E43 IonicContact NE-OE2 3.81Å; R7-E43 IonicContact NH2-OE1 2.8Å; R7-E43 PolarHBondContact NH2-OE1 2.89Å; R7-E43 IonicContact NH2-OE2 3.67Å; R7-E43 PolarHBondContact NH2-OE2 3.13Å
8R95.3Very high87.9Confident97 Ų9776.4 Ų76.437%0.36636%0.363SS..Hα-helixtrans-61.8-44.2175-75.9173.379.6-172.713.4111.2T4 R5 Y6 K11 L12 Y57T4-R8 WeakPolarHBondContact O-CD 3.49Å; T4-R8 WeakPolarHBondContact O-CG 3.43Å; T4-R8 PolarHBondContact O-N 3.18Å; R5-R8 WeakPolarHBondContact O-CB 3.43Å; R5-R8 PolarHBondContact O-N 2.77Å; R5-R8 VanDerWaalsContact O-N 3.1Å; Y6-R8 VanDerWaalsContact C-N 3.32Å; Y6-R8 PolarHBondContact O-N 3.39Å; R8-K11 PolarHBondContact O-N 3.28Å; R8-L12 WeakPolarHBondContact O-CB 3.42Å; R8-L12 PolarHBondContact O-N 2.98Å; R8-Y57 HydrophobicContact CB-CD2 4.07Å; R8-Y57 HydrophobicContact CB-CE2 3.57Å; R8-Y57 VanDerWaalsContact CZ-CD1 3.44Å; R8-Y57 VanDerWaalsContact NE-CE1 3.27Å; R8-Y57 VanDerWaalsContact NH2-CD1 3.27Å; R8-Y57 WeakPolarHBondContact O-CE2 3.43Å
9F96.6Very high88.2Confident10 Ų1073.4 Ų73.44%0.04435%0.349CS..Hα-helixtrans-65.6-38.4175.7-82.5-75.6000112.9R5 Y6 L12 C13 V35 F39 Y57 L60R5-F9 WeakPolarHBondContact O-CD2 3.4Å; R5-F9 PolarHBondContact O-N 3.03Å; Y6-F9 PolarHBondContact O-N 2.79Å; Y6-F9 VanDerWaalsContact O-N 3.11Å; F9-L12 HydrophobicContact CD1-CD2 4.34Å; F9-L12 PolarHBondContact O-N 3.5Å; F9-C13 WeakPolarHBondContact O-CB 3.46Å; F9-C13 PolarHBondContact O-N 2.85Å; F9-C13 PolarHBondContact O-SG 3.28Å; F9-C13 VanDerWaalsContact O-SG 3.41Å; F9-V35 HydrophobicContact CB-CG1 3.99Å; F9-V35 HydrophobicContact CB-CG2 3.98Å; F9-V35 HydrophobicContact CD1-CG2 3.87Å; F9-V35 HydrophobicContact CG-CG2 4.19Å; F9-F39 AromaticContact CD2-CE2 3.64Å; F9-F39 HydrophobicContact CD2-CE2 3.64Å; F9-F39 AromaticContact CD2-CZ 3.75Å; F9-F39 HydrophobicContact CD2-CZ 3.75Å; F9-F39 HydrophobicContact CE2-CE2 4.05Å; F9-F39 HydrophobicContact CE2-CZ 4.02Å; F9-F39 HydrophobicContact CG-CE2 4.17Å; F9-Y57 HydrophobicContact CD1-CD2 4.16Å; F9-Y57 HydrophobicContact CD2-CD2 4.34Å; F9-Y57 HydrophobicContact CE1-CD2 4.12Å; F9-Y57 HydrophobicContact CE2-CD2 4.28Å; F9-Y57 HydrophobicContact CG-CD2 4.28Å; F9-Y57 HydrophobicContact CZ-CD2 4.19Å; F9-Y57 HydrophobicContact CZ-CG 4.39Å; F9-L60 HydrophobicContact CE1-CD1 4.12Å
10L96.1Very high88.4Confident66 Ų6676 Ų7635%0.34636%0.361SS..Hα-helixtrans-60.5-49.4173.9-70.2-178.1000111.4Y6 R7 L12 C13 E14Y6-L10 HydrophobicContact CD1-CD1 4.13Å; Y6-L10 HydrophobicContact CD2-CG 4.29Å; Y6-L10 HydrophobicContact CE1-CD1 3.67Å; Y6-L10 HydrophobicContact CE1-CG 4.24Å; Y6-L10 HydrophobicContact CE2-CD1 4.27Å; Y6-L10 HydrophobicContact CE2-CD2 3.84Å; Y6-L10 HydrophobicContact CE2-CG 3.94Å; Y6-L10 WeakPolarHBondContact O-CG 3.17Å; Y6-L10 PolarHBondContact O-N 3.49Å; R7-L10 PolarHBondContact O-N 3.35Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.47Å; L10-C13 CarbonylContact O-C 3.59Å; L10-C13 WeakPolarHBondContact O-CA 3.46Å; L10-C13 WeakPolarHBondContact O-CB 3.35Å; L10-C13 PolarHBondContact O-N 2.97Å; L10-E14 PolarHBondContact O-N 3.38Å
11K96.3Very high88.6Confident119 Ų11974.1 Ų74.152%0.51736%0.356SS..Hα-helixtrans-58.5-43.9176.2-174.3176.3179.4-178.70112.1R7 R8 C13 E14 E15R7-K11 PolarHBondContact O-N 3.05Å; R8-K11 PolarHBondContact O-N 3.28Å; K11-C13 VanDerWaalsContact C-N 3.31Å; K11-C13 PolarHBondContact O-N 3.23Å; K11-E14 WeakPolarHBondContact O-CB 3.41Å; K11-E14 PolarHBondContact O-N 3.44Å; K11-E14 VanDerWaalsContact O-N 3.14Å; K11-E15 WeakPolarHBondContact CE-OE1 3.29Å; K11-E15 WeakPolarHBondContact O-CG 3.45Å; K11-E15 PolarHBondContact O-N 3.34Å
12L96.9Very high90.7Very high4 Ų467.5 Ų67.52%0.02132%0.322CS..Hα-helixtrans-60.2-41.5174.8179.473.2000111.5R8 F9 L10 E14 E15 W16 Y57 L60 N64R8-L12 WeakPolarHBondContact O-CB 3.42Å; R8-L12 PolarHBondContact O-N 2.98Å; F9-L12 HydrophobicContact CD1-CD2 4.34Å; F9-L12 PolarHBondContact O-N 3.5Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.47Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.17Å; L12-E15 PolarHBondContact O-N 3.39Å; L12-W16 HydrophobicContact CD1-CE3 3.99Å; L12-W16 HydrophobicContact CD1-CZ3 4.25Å; L12-W16 HydrophobicContact CG-CE3 4.15Å; L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 2.89Å; L12-Y57 HydrophobicContact CB-CE2 4.02Å; L12-Y57 HydrophobicContact CD2-CD2 4.2Å; L12-Y57 HydrophobicContact CD2-CE2 4.18Å; L12-L60 HydrophobicContact CD2-CB 3.64Å; L12-L60 HydrophobicContact CD2-CD1 4.07Å; L12-N64 HydrophobicContact CD1-CB 3.96Å
13C97Very high92.3Very high13 Ų1374.1 Ų74.19%0.08835%0.346CS..Hα-helixtrans-66.7-28.4175.7-77.70000113.4F9 L10 K11 R32F9-C13 WeakPolarHBondContact O-CB 3.46Å; F9-C13 PolarHBondContact O-N 2.85Å; F9-C13 PolarHBondContact O-SG 3.28Å; F9-C13 VanDerWaalsContact O-SG 3.41Å; L10-C13 CarbonylContact O-C 3.59Å; L10-C13 WeakPolarHBondContact O-CA 3.46Å; L10-C13 WeakPolarHBondContact O-CB 3.35Å; L10-C13 PolarHBondContact O-N 2.97Å; K11-C13 VanDerWaalsContact C-N 3.31Å; K11-C13 PolarHBondContact O-N 3.23Å; C13-R32 HydrophobicContact CB-CG 3.91Å; C13-R32 PolarHBondContact O-NE 3.04Å; C13-R32 PolarHBondContact O-NH2 3.46Å
14E96Very high93.7Very high154 Ų15476.8 Ų76.872%0.7238%0.376SS*.Hα-helixtrans-70.1-44.2172.8-70.9169.6-177.800111L10 K11 L12L10-E14 PolarHBondContact O-N 3.38Å; K11-E14 WeakPolarHBondContact O-CB 3.41Å; K11-E14 PolarHBondContact O-N 3.44Å; K11-E14 VanDerWaalsContact O-N 3.14Å; L12-E14 VanDerWaalsContact C-N 3.3Å; L12-E14 PolarHBondContact O-N 3.17Å
15E96.1Very high94.3Very high99 Ų9978.4 Ų78.446%0.46337%0.373SS..Hα-helixtrans-72.9-26.4-179.8-66171.2179.600113K11 L12 P17 N64K11-E15 WeakPolarHBondContact CE-OE1 3.29Å; K11-E15 WeakPolarHBondContact O-CG 3.45Å; K11-E15 PolarHBondContact O-N 3.34Å; L12-E15 PolarHBondContact O-N 3.39Å; E15-P17 WeakPolarHBondContact O-CD 3.29Å; E15-N64 WeakPolarHBondContact CB-ND2 3.27Å; E15-N64 PolarHBondContact OE2-ND2 2.91Å
16W96.4Very high94.6Very high19 Ų1976.9 Ų76.97%0.07237%0.368CS..SBendtrans-73.7118.8-174.6-156.2-69000112.2L12 L27 L31 R32 L60 I63 N64L12-W16 HydrophobicContact CD1-CE3 3.99Å; L12-W16 HydrophobicContact CD1-CZ3 4.25Å; L12-W16 HydrophobicContact CG-CE3 4.15Å; L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 2.89Å; W16-L27 HydrophobicContact CZ2-CD2 3.62Å; W16-L27 HydrophobicContact CZ2-CG 4.17Å; W16-L31 HydrophobicContact CD2-CD1 3.44Å; W16-L31 VanDerWaalsContact CD2-CD1 3.44Å; W16-L31 HydrophobicContact CE3-CD1 3.62Å; W16-L31 HydrophobicContact CG-CD1 4Å; W16-L31 HydrophobicContact CH2-CD1 3.97Å; W16-L31 HydrophobicContact CZ2-CD1 3.83Å; W16-L31 HydrophobicContact CZ3-CD1 3.86Å; W16-R32 PolarHBondContact O-NH2 3.26Å; W16-L60 HydrophobicContact CH2-CB 4.46Å; W16-L60 HydrophobicContact CH2-CD2 3.89Å; W16-L60 HydrophobicContact CZ3-CB 3.91Å; W16-L60 HydrophobicContact CZ3-CD2 4.04Å; W16-L60 VanDerWaalsContact CZ3-O 3.31Å; W16-L60 WeakPolarHBondContact CZ3-O 3.43Å; W16-I63 HydrophobicContact CH2-CB 3.96Å; W16-I63 HydrophobicContact CH2-CG2 3.68Å; W16-I63 HydrophobicContact CZ2-CG2 4.04Å; W16-N64 HydrophobicContact CE3-CB 3.87Å; W16-N64 HydrophobicContact CZ3-CB 3.86Å
17P94.6Very high94.6Very high90 Ų9078.5 Ų78.558%0.58438%0.38SS*.PPolyproline II helixtrans-68151.4-17628.2-35.3000112.2E15E15-P17 WeakPolarHBondContact O-CD 3.29Å
18R93.9Very high94.7Very high143 Ų14372.1 Ų72.154%0.5436%0.356SS..PPolyproline II helixtrans-102.2130.3173.5-168.4171.8-167.1-158.41.3110.1E20 D26 T29R18-E20 VanDerWaalsContact CD-OE1 3.27Å; R18-E20 WeakPolarHBondContact CD-OE1 3.21Å; R18-E20 IonicContact CZ-OE1 2.77Å; R18-E20 IonicContact NE-OE1 3.99Å; R18-E20 IonicContact NH1-OE1 2.83Å; R18-D26 WeakPolarHBondContact CG-OD2 3.35Å; R18-T29 PolarHBondContact NE-OG1 2.74Å
19D93.7Very high94.7Very high18 Ų1868.9 Ų68.910%0.09635%0.347CS..  trans-100.897.8176-170.3-3.8000111S21 K22 D26 R89D19-S21 VanDerWaalsContact CG-OG 3.24Å; D19-S21 PolarHBondContact O-N 3.22Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.04Å; D19-S21 VanDerWaalsContact OD1-N 3.14Å; D19-S21 PolarHBondContact OD1-OG 2.9Å; D19-S21 PolarHBondContact OD2-OG 2.65Å; D19-K22 HydrophobicContact CB-CB 4.46Å; D19-K22 HydrophobicContact CB-CD 4.39Å; D19-K22 PolarHBondContact O-N 3.05Å; D19-K22 WeakPolarHBondContact OD2-CD 3.47Å; D19-K22 WeakPolarHBondContact OD2-CE 3.41Å; D19-K22 IonicContact OD2-NZ 3.71Å; D19-K22 PolarHBondContact OD2-NZ 3.12Å; D19-D26 WeakPolarHBondContact CB-OD1 3.15Å; D19-D26 PolarHBondContact N-OD1 3.08Å; D19-R89 VanDerWaalsContact CG-NH2 3.28Å; D19-R89 IonicContact OD1-CZ 3.93Å; D19-R89 IonicContact OD1-NE 3.53Å; D19-R89 IonicContact OD1-NH2 3.72Å; D19-R89 PolarHBondContact OD1-NH2 3.21Å; D19-R89 IonicContact OD2-CZ 2.74Å; D19-R89 IonicContact OD2-NH2 3.15Å
20E92.5Very high94.7Very high125 Ų12572.9 Ų72.958%0.58437%0.365SS*.G310 helixtrans-61.2-25.1179.5-62.8-57.1146.100113R18 K22R18-E20 VanDerWaalsContact CD-OE1 3.27Å; R18-E20 WeakPolarHBondContact CD-OE1 3.21Å; R18-E20 IonicContact CZ-OE1 2.77Å; R18-E20 IonicContact NE-OE1 3.99Å; R18-E20 IonicContact NH1-OE1 2.83Å; E20-K22 PolarHBondContact O-N 3.1Å
21S92.8Very high94.8Very high37 Ų3770.7 Ų70.726%0.25935%0.353SS..G310 helixtrans-66.9-18.817675.90000112.7D19 A93 T94D19-S21 VanDerWaalsContact CG-OG 3.24Å; D19-S21 PolarHBondContact O-N 3.22Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.04Å; D19-S21 VanDerWaalsContact OD1-N 3.14Å; D19-S21 PolarHBondContact OD1-OG 2.9Å; D19-S21 PolarHBondContact OD2-OG 2.65Å; S21-A93 WeakPolarHBondContact O-CA 3.32Å; S21-T94 PolarHBondContact O-N 3.41Å; S21-T94 PolarHBondContact O-OG1 3.02Å
22K93.9Very high94.8Very high54 Ų5469.3 Ų69.324%0.23535%0.345CS..G310 helixtrans-109.841.6-177.8-63.9178.2-173.4164.30111.9D19 E20 G24 R25 D26D19-K22 HydrophobicContact CB-CB 4.46Å; D19-K22 HydrophobicContact CB-CD 4.39Å; D19-K22 PolarHBondContact O-N 3.05Å; D19-K22 WeakPolarHBondContact OD2-CD 3.47Å; D19-K22 WeakPolarHBondContact OD2-CE 3.41Å; D19-K22 IonicContact OD2-NZ 3.71Å; D19-K22 PolarHBondContact OD2-NZ 3.12Å; E20-K22 PolarHBondContact O-N 3.1Å; K22-G24 PolarHBondContact O-N 3.48Å; K22-R25 CarbonylContact O-C 3.45Å; K22-R25 PolarHBondContact O-N 3.05Å; K22-D26 HydrophobicContact CB-CB 4.3Å; K22-D26 PolarHBondContact O-N 2.91Å
23K90.8Very high94.8Very high171 Ų17174.5 Ų74.574%0.74337%0.369SS*.THydrogen-bonded Turntrans-48.5127.9177.9-169.2175.4-178.4178.70111.5R25 T94K23-R25 VanDerWaalsContact C-N 3.25Å; K23-R25 PolarHBondContact O-N 3.44Å; K23-T94 PolarHBondContact O-OG1 3.34Å
24G89.6Confident94.8Very high83 Ų8380.6 Ų80.686%0.85639%0.39SS*.THydrogen-bonded Turntrans80.1-9.6-17800000115.8K22K22-G24 PolarHBondContact O-N 3.48Å
25R93.9Very high94.8Very high117 Ų11773.9 Ų73.944%0.44236%0.36SS..THydrogen-bonded Turntrans-129-1.4-179.6-61179.8-63.5122.14.9113.4K22 K23 L27 L92 T94 M97K22-R25 CarbonylContact O-C 3.45Å; K22-R25 PolarHBondContact O-N 3.05Å; K23-R25 VanDerWaalsContact C-N 3.25Å; K23-R25 PolarHBondContact O-N 3.44Å; R25-L27 PolarHBondContact O-N 3.05Å; R25-L92 PolarHBondContact NH2-O 3.4Å; R25-T94 PolarHBondContact NH2-OG1 3.31Å; R25-M97 PolarHBondContact NH1-SD 2.88Å; R25-M97 PolarHBondContact NH2-SD 3.11Å; R25-M97 VanDerWaalsContact NH2-SD 3.45Å
26D95.1Very high94.7Very high10 Ų1072 Ų725%0.05336%0.361CS..  trans-61.8127.2179.5169.665.2000111.4R18 D19 K22 G28 T29 F30R18-D26 WeakPolarHBondContact CG-OD2 3.35Å; D19-D26 WeakPolarHBondContact CB-OD1 3.15Å; D19-D26 PolarHBondContact N-OD1 3.08Å; K22-D26 HydrophobicContact CB-CB 4.3Å; K22-D26 PolarHBondContact O-N 2.91Å; D26-G28 PolarHBondContact O-N 3.43Å; D26-G28 PolarHBondContact OD2-N 3.04Å; D26-T29 PolarHBondContact O-N 3Å; D26-T29 WeakPolarHBondContact OD2-CB 3.42Å; D26-T29 PolarHBondContact OD2-N 3.19Å; D26-T29 PolarHBondContact OD2-OG1 3.36Å; D26-F30 PolarHBondContact O-N 2.93Å
27L94.6Very high94.7Very high85 Ų8575.3 Ų75.345%0.44538%0.38SS..Hα-helixtrans-66.8-37.9-176.4-17958.6000111.6W16 R25 T29 F30 L31W16-L27 HydrophobicContact CZ2-CD2 3.62Å; W16-L27 HydrophobicContact CZ2-CG 4.17Å; R25-L27 PolarHBondContact O-N 3.05Å; L27-T29 VanDerWaalsContact C-N 3.3Å; L27-T29 PolarHBondContact O-N 2.87Å; L27-F30 HydrophobicContact CD1-CD1 4.14Å; L27-F30 WeakPolarHBondContact O-CB 3.1Å; L27-F30 PolarHBondContact O-N 3.33Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CG-CD1 4.18Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.14Å
28G96.1Very high94.6Very high0 Ų073.7 Ų73.70%037%0.374CS..Hα-helixtrans-61.5-40.3178.200000112.1D26 R32D26-G28 PolarHBondContact O-N 3.43Å; D26-G28 PolarHBondContact OD2-N 3.04Å; G28-R32 WeakPolarHBondContact O-CG 3.32Å; G28-R32 PolarHBondContact O-N 2.84Å; G28-R32 PolarHBondContact O-NH1 3.49Å
29T96.6Very high94.6Very high30 Ų3067.3 Ų67.318%0.18435%0.35CS..Hα-helixtrans-65.2-46175.3-54.50000110.4R18 D26 L27 L31 R32 Q33R18-T29 PolarHBondContact NE-OG1 2.74Å; D26-T29 PolarHBondContact O-N 3Å; D26-T29 WeakPolarHBondContact OD2-CB 3.42Å; D26-T29 PolarHBondContact OD2-N 3.19Å; D26-T29 PolarHBondContact OD2-OG1 3.36Å; L27-T29 VanDerWaalsContact C-N 3.3Å; L27-T29 PolarHBondContact O-N 2.87Å; T29-L31 PolarHBondContact O-N 3.24Å; T29-R32 PolarHBondContact O-N 2.82Å; T29-Q33 WeakPolarHBondContact O-CG 3.43Å; T29-Q33 PolarHBondContact O-N 3.04Å; T29-Q33 VanDerWaalsContact O-N 3.14Å
30F96.5Very high94.5Very high94 Ų9475.9 Ų75.941%0.41238%0.381SS..Hα-helixtrans-60.6-43.6177.5178-100.4000112.4D26 L27 R32 Q33 R34D26-F30 PolarHBondContact O-N 2.93Å; L27-F30 HydrophobicContact CD1-CD1 4.14Å; L27-F30 WeakPolarHBondContact O-CB 3.1Å; L27-F30 PolarHBondContact O-N 3.33Å; F30-R32 PolarHBondContact O-N 3.22Å; F30-Q33 PolarHBondContact O-N 3.47Å; F30-R34 HydrophobicContact CD1-CG 4.06Å; F30-R34 HydrophobicContact CD2-CG 4.35Å; F30-R34 HydrophobicContact CE1-CG 3.66Å; F30-R34 HydrophobicContact CE2-CG 3.98Å; F30-R34 HydrophobicContact CG-CG 4.41Å; F30-R34 HydrophobicContact CZ-CG 3.62Å; F30-R34 WeakPolarHBondContact O-CB 3.36Å; F30-R34 WeakPolarHBondContact O-CG 3.44Å; F30-R34 PolarHBondContact O-N 2.6Å
31L97Very high94.5Very high19 Ų1976.2 Ų76.210%0.09938%0.383CS..Hα-helixtrans-60.9-45.7178.3-72.2175000111.6W16 L27 T29 Q33 R34 V35 L60W16-L31 HydrophobicContact CD2-CD1 3.44Å; W16-L31 VanDerWaalsContact CD2-CD1 3.44Å; W16-L31 HydrophobicContact CE3-CD1 3.62Å; W16-L31 HydrophobicContact CG-CD1 4Å; W16-L31 HydrophobicContact CH2-CD1 3.97Å; W16-L31 HydrophobicContact CZ2-CD1 3.83Å; W16-L31 HydrophobicContact CZ3-CD1 3.86Å; L27-L31 HydrophobicContact CD1-CD2 4.45Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CG-CD1 4.18Å; L27-L31 HydrophobicContact CG-CG 4.27Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.14Å; T29-L31 PolarHBondContact O-N 3.24Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.06Å; L31-R34 PolarHBondContact O-N 3.07Å; L31-R34 VanDerWaalsContact O-N 3.17Å; L31-V35 WeakPolarHBondContact O-CG2 3.32Å; L31-V35 PolarHBondContact O-N 3.14Å; L31-L60 HydrophobicContact CD1-CD2 4.25Å; L31-L60 HydrophobicContact CD2-CD1 3.91Å; L31-L60 HydrophobicContact CD2-CD2 3.86Å
32R97.2Very high94.4Very high91 Ų9175.2 Ų75.234%0.34338%0.378SS..Hα-helixtrans-58.9-44.5176.9-71.1174.2-17493.8-4.3111.9C13 W16 G28 T29 F30 V35 A36C13-R32 HydrophobicContact CB-CG 3.91Å; C13-R32 PolarHBondContact O-NE 3.04Å; C13-R32 PolarHBondContact O-NH2 3.46Å; W16-R32 PolarHBondContact O-NH2 3.26Å; G28-R32 WeakPolarHBondContact O-CG 3.32Å; G28-R32 PolarHBondContact O-N 2.84Å; G28-R32 PolarHBondContact O-NH1 3.49Å; T29-R32 PolarHBondContact O-N 2.82Å; F30-R32 PolarHBondContact O-N 3.22Å; R32-V35 PolarHBondContact O-N 3.39Å; R32-A36 WeakPolarHBondContact O-CB 3.23Å; R32-A36 PolarHBondContact O-N 2.81Å
33Q96.8Very high94.2Very high113 Ų11375.9 Ų75.953%0.52838%0.382SS..Hα-helixtrans-62.3-43.8175.6-69.6173.5-1100111.8T29 F30 L31 A36 L37T29-Q33 WeakPolarHBondContact O-CG 3.43Å; T29-Q33 PolarHBondContact O-N 3.04Å; T29-Q33 VanDerWaalsContact O-N 3.14Å; F30-Q33 PolarHBondContact O-N 3.47Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.06Å; Q33-A36 PolarHBondContact O-N 3.21Å; Q33-L37 WeakPolarHBondContact O-CB 3.47Å; Q33-L37 VanDerWaalsContact O-CG 3.29Å; Q33-L37 WeakPolarHBondContact O-CG 3.19Å; Q33-L37 PolarHBondContact O-N 2.87Å
34R96.1Very high94.1Very high140 Ų14073.5 Ų73.553%0.52838%0.377SS..Hα-helixtrans-67.1-39.2179.2-73.3-62.4-174.9161.5-0.8112.9F30 L31 L37 A38F30-R34 HydrophobicContact CD1-CG 4.06Å; F30-R34 HydrophobicContact CD2-CG 4.35Å; F30-R34 HydrophobicContact CE1-CG 3.66Å; F30-R34 HydrophobicContact CE2-CG 3.98Å; F30-R34 HydrophobicContact CG-CG 4.41Å; F30-R34 HydrophobicContact CZ-CG 3.62Å; F30-R34 WeakPolarHBondContact O-CB 3.36Å; F30-R34 WeakPolarHBondContact O-CG 3.44Å; F30-R34 PolarHBondContact O-N 2.6Å; L31-R34 PolarHBondContact O-N 3.07Å; L31-R34 VanDerWaalsContact O-N 3.17Å; R34-L37 PolarHBondContact O-N 2.93Å; R34-A38 VanDerWaalsContact O-CB 3.24Å; R34-A38 WeakPolarHBondContact O-CB 3.36Å; R34-A38 PolarHBondContact O-N 3.29Å
35V95.7Very high94.1Very high14 Ų1470.2 Ų70.29%0.08534%0.34CS..Hα-helixtrans-63.6-45.3174.5170.40000110.4Y6 F9 L31 R32 L37 A38 F39Y6-V35 HydrophobicContact CD2-CG1 4.33Å; Y6-V35 HydrophobicContact CE2-CG1 4Å; F9-V35 HydrophobicContact CB-CG1 3.99Å; F9-V35 HydrophobicContact CB-CG2 3.98Å; F9-V35 HydrophobicContact CD1-CG2 3.87Å; F9-V35 HydrophobicContact CG-CG2 4.19Å; L31-V35 WeakPolarHBondContact O-CG2 3.32Å; L31-V35 PolarHBondContact O-N 3.14Å; R32-V35 PolarHBondContact O-N 3.39Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 3.37Å; V35-A38 PolarHBondContact O-N 3.48Å; V35-F39 HydrophobicContact CG1-CD2 4.13Å; V35-F39 WeakPolarHBondContact O-CB 3.5Å; V35-F39 PolarHBondContact O-N 3.4Å
36A95.6Very high93.9Very high59 Ų5972.2 Ų72.249%0.48836%0.355SS..Hα-helixtrans-61-37.317600000112.8R32 Q33 R40R32-A36 WeakPolarHBondContact O-CB 3.23Å; R32-A36 PolarHBondContact O-N 2.81Å; Q33-A36 PolarHBondContact O-N 3.21Å; A36-R40 PolarHBondContact O-N 3.35Å
37L94.9Very high93.6Very high89 Ų8973.8 Ų73.847%0.46636%0.363SS..Hα-helixtrans-74.4-37.3176.9-73.2171.3000113.4Q33 R34 V35 R40Q33-L37 WeakPolarHBondContact O-CB 3.47Å; Q33-L37 VanDerWaalsContact O-CG 3.29Å; Q33-L37 WeakPolarHBondContact O-CG 3.19Å; Q33-L37 PolarHBondContact O-N 2.87Å; R34-L37 PolarHBondContact O-N 2.93Å; V35-L37 VanDerWaalsContact C-N 3.29Å; V35-L37 PolarHBondContact O-N 3.37Å; L37-R40 WeakPolarHBondContact O-CG 3.45Å
38A92.9Very high93.3Very high56 Ų5676 Ų7646%0.46339%0.385SS..Hα-helixtrans-76.6-34.6-178.700000111.8R34 V35 T45R34-A38 VanDerWaalsContact O-CB 3.24Å; R34-A38 WeakPolarHBondContact O-CB 3.36Å; R34-A38 PolarHBondContact O-N 3.29Å; V35-A38 PolarHBondContact O-N 3.48Å; A38-T45 WeakPolarHBondContact O-CG2 3.49Å
39F94.2Very high93.2Very high9 Ų979.4 Ų79.44%0.03940%0.404CS..THydrogen-bonded Turntrans-112.151.7-179.9-64.1-89.3000111.5R5 Y6 F9 V35 E41 G42 T45 L47R5-F39 HydrophobicContact CB-CE1 4.47Å; R5-F39 HydrophobicContact CB-CZ 4.44Å; Y6-F39 HydrophobicContact CD2-CB 3.37Å; Y6-F39 AromaticContact CD2-CD1 3.83Å; Y6-F39 HydrophobicContact CD2-CD1 3.83Å; Y6-F39 AromaticContact CD2-CD2 3.88Å; Y6-F39 HydrophobicContact CD2-CD2 3.88Å; Y6-F39 AromaticContact CD2-CG 3.43Å; Y6-F39 HydrophobicContact CD2-CG 3.43Å; Y6-F39 VanDerWaalsContact CD2-CG 3.43Å; Y6-F39 HydrophobicContact CE2-CB 3.57Å; Y6-F39 HydrophobicContact CE2-CG 4.11Å; Y6-F39 HydrophobicContact CG-CB 4.17Å; Y6-F39 HydrophobicContact CG-CD1 4.09Å; Y6-F39 HydrophobicContact CG-CG 4.15Å; F9-F39 AromaticContact CD2-CE2 3.64Å; F9-F39 HydrophobicContact CD2-CE2 3.64Å; F9-F39 AromaticContact CD2-CZ 3.75Å; F9-F39 HydrophobicContact CD2-CZ 3.75Å; F9-F39 HydrophobicContact CE2-CE2 4.05Å; F9-F39 HydrophobicContact CE2-CZ 4.02Å; F9-F39 HydrophobicContact CG-CE2 4.17Å; V35-F39 HydrophobicContact CG1-CD2 4.13Å; V35-F39 WeakPolarHBondContact O-CB 3.5Å; V35-F39 PolarHBondContact O-N 3.4Å; F39-E41 PolarHBondContact O-N 3.45Å; F39-G42 WeakPolarHBondContact O-CA 3.27Å; F39-G42 PolarHBondContact O-N 2.97Å; F39-T45 WeakPolarHBondContact CA-OG1 3.4Å; F39-T45 HydrophobicContact CD1-CG2 4.47Å; F39-L47 HydrophobicContact CE1-CD1 4.24Å; F39-L47 HydrophobicContact CE1-CD2 4.05Å; F39-L47 HydrophobicContact CZ-CD1 4.47Å; F39-L47 HydrophobicContact CZ-CD2 4.32Å
40R92.1Very high92.9Very high197 Ų19780.3 Ų80.374%0.74341%0.41SS*.THydrogen-bonded Turntrans-57-33.5-178.9-79.4172.8-179.7-170-1.7113.3A36 L37 G42A36-R40 PolarHBondContact O-N 3.35Å; L37-R40 WeakPolarHBondContact O-CG 3.45Å; R40-G42 VanDerWaalsContact C-N 3.31Å
41E92.4Very high92.8Very high133 Ų13383.4 Ų83.462%0.62143%0.426SS*.THydrogen-bonded Turntrans-9614.3178-58.2176.8175.800111.8F39 E43 N44 T45F39-E41 PolarHBondContact O-N 3.45Å; E41-E43 PolarHBondContact O-N 3.39Å; E41-N44 HydrophobicContact CB-CB 4.4Å; E41-N44 PolarHBondContact O-N 3.1Å; E41-T45 PolarHBondContact N-OG1 3.41Å
42G90.6Very high92.7Very high15 Ų1588.2 Ų88.216%0.15545%0.446CS..G310 helixtrans58.2-126.4-176.300000111.6F39 R40 N44 T45F39-G42 WeakPolarHBondContact O-CA 3.27Å; F39-G42 PolarHBondContact O-N 2.97Å; R40-G42 VanDerWaalsContact C-N 3.31Å; G42-N44 VanDerWaalsContact C-N 3.25Å; G42-N44 PolarHBondContact O-N 3.38Å; G42-T45 PolarHBondContact N-OG1 3.32Å; G42-T45 WeakPolarHBondContact O-CB 3.26Å; G42-T45 PolarHBondContact O-N 2.95Å; G42-T45 PolarHBondContact O-OG1 3.43Å
43E88.8Confident92.5Very high68 Ų6884.7 Ų84.732%0.31844%0.435SS..G310 helixtrans-66.6-24.8-178.3-61.3-173.5178.100113.9S2 A3 Y6 R7 E41 T45S2-E43 PolarHBondContact OG-O 3.22Å; A3-E43 HydrophobicContact CB-CB 4.07Å; A3-E43 HydrophobicContact CB-CG 4.36Å; Y6-E43 HydrophobicContact CD1-CG 3.93Å; R7-E43 IonicContact CZ-OE1 3.74Å; R7-E43 IonicContact CZ-OE2 3.79Å; R7-E43 IonicContact NE-OE1 3.69Å; R7-E43 PolarHBondContact NE-OE1 3.44Å; R7-E43 IonicContact NE-OE2 3.81Å; R7-E43 IonicContact NH2-OE1 2.8Å; R7-E43 PolarHBondContact NH2-OE1 2.89Å; R7-E43 IonicContact NH2-OE2 3.67Å; R7-E43 PolarHBondContact NH2-OE2 3.13Å; E41-E43 PolarHBondContact O-N 3.39Å; E43-T45 VanDerWaalsContact C-N 3.27Å; E43-T45 PolarHBondContact O-N 3.14Å
44N88.8Confident92.4Very high121 Ų12181 Ų8165%0.64742%0.419SS*.G310 helixtrans-80.7-10.5-178.8-64.6-36.6000113.1E41 G42 Q46E41-N44 HydrophobicContact CB-CB 4.4Å; E41-N44 PolarHBondContact O-N 3.1Å; G42-N44 VanDerWaalsContact C-N 3.25Å; G42-N44 PolarHBondContact O-N 3.38Å; N44-Q46 PolarHBondContact O-N 3.37Å; N44-Q46 PolarHBondContact O-NE2 3.44Å; N44-Q46 VanDerWaalsContact O-NE2 3.11Å
45T91.1Very high92.5Very high14 Ų1480.3 Ų80.39%0.08642%0.422CS..  trans-53.9122.5179.9-54.40000111A38 F39 E41 G42 E43 L47A38-T45 WeakPolarHBondContact O-CG2 3.49Å; F39-T45 WeakPolarHBondContact CA-OG1 3.4Å; F39-T45 HydrophobicContact CD1-CG2 4.47Å; E41-T45 PolarHBondContact N-OG1 3.41Å; G42-T45 PolarHBondContact N-OG1 3.32Å; G42-T45 WeakPolarHBondContact O-CB 3.26Å; G42-T45 PolarHBondContact O-N 2.95Å; G42-T45 PolarHBondContact O-OG1 3.43Å; E43-T45 VanDerWaalsContact C-N 3.27Å; E43-T45 PolarHBondContact O-N 3.14Å; T45-L47 HydrophobicContact CG2-CD2 4.29Å; T45-L47 PolarHBondContact O-N 2.98Å
46Q89.6Confident92.5Very high160 Ų16084.7 Ų84.775%0.74844%0.442SS*.  trans-81.8115.4172.8-60-56.8-43.600109.9N44N44-Q46 PolarHBondContact O-N 3.37Å; N44-Q46 PolarHBondContact O-NE2 3.44Å; N44-Q46 VanDerWaalsContact O-NE2 3.11Å
47L87.8Confident92.5Very high42 Ų4283.5 Ų83.522%0.2243%0.426CS..  trans-87.7125.2177.8-61.5174.8000109.5F39 T45 D49 P50 C53F39-L47 HydrophobicContact CE1-CD1 4.24Å; F39-L47 HydrophobicContact CE1-CD2 4.05Å; F39-L47 HydrophobicContact CZ-CD1 4.47Å; F39-L47 HydrophobicContact CZ-CD2 4.32Å; T45-L47 HydrophobicContact CG2-CD2 4.29Å; T45-L47 PolarHBondContact O-N 2.98Å; L47-D49 VanDerWaalsContact C-N 3.3Å; L47-D49 PolarHBondContact O-N 2.94Å; L47-P50 HydrophobicContact CB-CG 4.41Å; L47-C53 HydrophobicContact CD1-CB 4.02Å
48S89Confident92.6Very high131 Ų13183.2 Ų83.292%0.91642%0.422SS*.SBendtrans-65.3-34.8175.751.90000112.7
49D92.8Very high92.8Very high73 Ų7383 Ų8339%0.3942%0.417SS..  trans-135.391.6178.3-175-13.3000110L47 E51 K52 C53L47-D49 VanDerWaalsContact C-N 3.3Å; L47-D49 PolarHBondContact O-N 2.94Å; D49-E51 PolarHBondContact OD1-N 2.88Å; D49-K52 HydrophobicContact CB-CB 4.15Å; D49-K52 WeakPolarHBondContact OD1-CB 3.47Å; D49-K52 PolarHBondContact OD1-N 2.7Å; D49-K52 WeakPolarHBondContact OD2-CB 3.27Å; D49-C53 PolarHBondContact O-N 3.28Å
50P91.5Very high93Very high49 Ų4984 Ų8432%0.31842%0.423SS..Hα-helixtrans-66.3-33.5-179.4-22.334.2000113.8L47 C53 D54L47-P50 HydrophobicContact CB-CG 4.41Å; P50-C53 WeakPolarHBondContact O-CB 3.35Å; P50-C53 PolarHBondContact O-N 3.05Å; P50-D54 PolarHBondContact O-N 2.91Å
51E93.8Very high93.2Very high158 Ų15875.6 Ų75.674%0.73840%0.396SS*.Hα-helixtrans-71.3-43.5-176.2-68.1177.5-179.700110.9D49 C53 D54 Q55D49-E51 PolarHBondContact OD1-N 2.88Å; E51-C53 VanDerWaalsContact C-N 3.27Å; E51-C53 PolarHBondContact O-N 3.46Å; E51-D54 PolarHBondContact O-N 3.39Å; E51-Q55 PolarHBondContact O-N 3.48Å
52K94.4Very high93.4Very high121 Ų12173.3 Ų73.353%0.52638%0.381SS..Hα-helixtrans-62.5-36.4172.9-175.9175.5-176.9174.20112.1D49 D54 Q55 M56D49-K52 HydrophobicContact CB-CB 4.15Å; D49-K52 WeakPolarHBondContact OD1-CB 3.47Å; D49-K52 PolarHBondContact OD1-N 2.7Å; D49-K52 WeakPolarHBondContact OD2-CB 3.27Å; K52-D54 VanDerWaalsContact C-N 3.35Å; K52-Q55 PolarHBondContact O-N 3.4Å; K52-M56 HydrophobicContact CG-SD 4.5Å; K52-M56 WeakPolarHBondContact O-CB 3.38Å; K52-M56 VanDerWaalsContact O-CG 3.31Å; K52-M56 WeakPolarHBondContact O-CG 3.5Å; K52-M56 PolarHBondContact O-N 2.83Å
53C94.4Very high93.7Very high16 Ų1677.1 Ų77.111%0.10840%0.397CS..Hα-helixtrans-62-44174.3-1710000111.4L47 D49 P50 E51 M56 Y57L47-C53 HydrophobicContact CD1-CB 4.02Å; D49-C53 PolarHBondContact O-N 3.28Å; P50-C53 WeakPolarHBondContact O-CB 3.35Å; P50-C53 PolarHBondContact O-N 3.05Å; E51-C53 VanDerWaalsContact C-N 3.27Å; E51-C53 PolarHBondContact O-N 3.46Å; C53-M56 PolarHBondContact O-N 3.45Å; C53-Y57 PolarHBondContact O-N 3Å
54D95.1Very high94Very high37 Ų3775.5 Ų75.520%0.19839%0.39CS..Hα-helixtrans-65-42.9176.2-70.5-32.2000111.6R5 P50 E51 K52 M56 Y57 E58R5-D54 WeakPolarHBondContact CD-OD1 3.48Å; R5-D54 IonicContact CZ-OD1 3.79Å; R5-D54 IonicContact CZ-OD2 3.32Å; R5-D54 VanDerWaalsContact CZ-OD2 3.32Å; R5-D54 IonicContact NE-OD1 2.78Å; R5-D54 PolarHBondContact NE-OD1 3.35Å; R5-D54 IonicContact NE-OD2 3.04Å; R5-D54 PolarHBondContact NE-OD2 3.23Å; R5-D54 IonicContact NH2-OD1 3.93Å; R5-D54 IonicContact NH2-OD2 2.73Å; R5-D54 PolarHBondContact NH2-OD2 3.25Å; P50-D54 PolarHBondContact O-N 2.91Å; E51-D54 PolarHBondContact O-N 3.39Å; K52-D54 VanDerWaalsContact C-N 3.35Å; D54-M56 VanDerWaalsContact C-N 3.34Å; D54-M56 PolarHBondContact O-N 3.19Å; D54-Y57 WeakPolarHBondContact O-CB 3.4Å; D54-Y57 PolarHBondContact O-N 2.73Å; D54-E58 WeakPolarHBondContact O-CG 3.47Å; D54-E58 PolarHBondContact O-N 3.22Å
55Q96.6Very high94.4Very high125 Ų12572.9 Ų72.958%0.58438%0.379SS*.Hα-helixtrans-61.2-41.3175.8-171.2-174.42100112.3E51 K52 E58 S59E51-Q55 PolarHBondContact O-N 3.48Å; K52-Q55 PolarHBondContact O-N 3.4Å; Q55-E58 PolarHBondContact O-N 3.43Å; Q55-S59 WeakPolarHBondContact O-CB 3.31Å; Q55-S59 PolarHBondContact O-N 2.7Å; Q55-S59 PolarHBondContact O-OG 3.06Å
56M95.8Very high94.5Very high105 Ų10576.6 Ų76.652%0.51740%0.398SS..Hα-helixtrans-61.7-46.5174.3-77.7173.157.800111K52 C53 D54 S59 L60K52-M56 HydrophobicContact CG-SD 4.5Å; K52-M56 WeakPolarHBondContact O-CB 3.38Å; K52-M56 VanDerWaalsContact O-CG 3.31Å; K52-M56 WeakPolarHBondContact O-CG 3.5Å; K52-M56 PolarHBondContact O-N 2.83Å; C53-M56 PolarHBondContact O-N 3.45Å; D54-M56 VanDerWaalsContact C-N 3.34Å; D54-M56 PolarHBondContact O-N 3.19Å; M56-S59 PolarHBondContact O-N 2.94Å; M56-L60 WeakPolarHBondContact O-CG 3.4Å; M56-L60 PolarHBondContact O-N 3.07Å
57Y96.5Very high94.9Very high34 Ų3472.2 Ų72.213%0.13338%0.379CS..Hα-helixtrans-57.5-50.9176.6175.6-92.5000111.5R8 F9 L12 C53 D54 S59 L60 A61R8-Y57 HydrophobicContact CB-CD2 4.07Å; R8-Y57 HydrophobicContact CB-CE2 3.57Å; R8-Y57 VanDerWaalsContact CZ-CD1 3.44Å; R8-Y57 VanDerWaalsContact NE-CE1 3.27Å; R8-Y57 VanDerWaalsContact NH2-CD1 3.27Å; R8-Y57 WeakPolarHBondContact O-CE2 3.43Å; F9-Y57 HydrophobicContact CD1-CD2 4.16Å; F9-Y57 HydrophobicContact CD2-CD2 4.34Å; F9-Y57 HydrophobicContact CE1-CD2 4.12Å; F9-Y57 HydrophobicContact CE2-CD2 4.28Å; F9-Y57 HydrophobicContact CG-CD2 4.28Å; F9-Y57 HydrophobicContact CZ-CD2 4.19Å; F9-Y57 HydrophobicContact CZ-CG 4.39Å; L12-Y57 HydrophobicContact CB-CE2 4.02Å; L12-Y57 HydrophobicContact CD2-CD2 4.2Å; L12-Y57 HydrophobicContact CD2-CE2 4.18Å; C53-Y57 PolarHBondContact O-N 3Å; D54-Y57 WeakPolarHBondContact O-CB 3.4Å; D54-Y57 PolarHBondContact O-N 2.73Å; Y57-S59 VanDerWaalsContact C-N 3.28Å; Y57-S59 PolarHBondContact O-N 2.93Å; Y57-L60 PolarHBondContact O-N 3.35Å; Y57-A61 HydrophobicContact CE1-CB 4.08Å; Y57-A61 WeakPolarHBondContact O-CB 3.38Å; Y57-A61 PolarHBondContact O-N 2.88Å
58E97.3Very high95.2Very high83 Ų8376 Ų7639%0.38839%0.392SS..Hα-helixtrans-60.2-40.3-179-73.2-175.2-176.100112.3D54 Q55 A61 R62D54-E58 WeakPolarHBondContact O-CG 3.47Å; D54-E58 PolarHBondContact O-N 3.22Å; Q55-E58 PolarHBondContact O-N 3.43Å; E58-A61 PolarHBondContact O-N 2.99Å; E58-R62 WeakPolarHBondContact O-CB 3.39Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.41Å; E58-R62 PolarHBondContact O-N 3.18Å; E58-R62 IonicContact OE2-CZ 3.43Å; E58-R62 IonicContact OE2-NH1 2.69Å; E58-R62 IonicContact OE2-NH2 3.98Å; E58-R62 PolarHBondContact OE2-NH2 3.1Å
59S97.1Very high95.3Very high52 Ų5277 Ų7736%0.36438%0.375SS..Hα-helixtrans-63.2-44.8178.5-58.50000111.1Q55 M56 Y57 R62 I63Q55-S59 WeakPolarHBondContact O-CB 3.31Å; Q55-S59 PolarHBondContact O-N 2.7Å; Q55-S59 PolarHBondContact O-OG 3.06Å; M56-S59 PolarHBondContact O-N 2.94Å; Y57-S59 VanDerWaalsContact C-N 3.28Å; Y57-S59 PolarHBondContact O-N 2.93Å; S59-R62 PolarHBondContact O-N 3.27Å; S59-I63 WeakPolarHBondContact O-CG1 3.33Å; S59-I63 PolarHBondContact O-N 3.48Å
60L97.3Very high95.4Very high30 Ų3080.1 Ų80.116%0.15739%0.388CS..Hα-helixtrans-66.6-43.2176.2-68.2169.8000111.7F9 L12 W16 L31 M56 Y57 R62 I63 N64F9-L60 HydrophobicContact CE1-CD1 4.12Å; L12-L60 HydrophobicContact CD2-CB 3.64Å; L12-L60 HydrophobicContact CD2-CD1 4.07Å; W16-L60 HydrophobicContact CH2-CB 4.46Å; W16-L60 HydrophobicContact CH2-CD2 3.89Å; W16-L60 HydrophobicContact CZ3-CB 3.91Å; W16-L60 HydrophobicContact CZ3-CD2 4.04Å; W16-L60 VanDerWaalsContact CZ3-O 3.31Å; W16-L60 WeakPolarHBondContact CZ3-O 3.43Å; L31-L60 HydrophobicContact CD1-CD2 4.25Å; L31-L60 HydrophobicContact CD2-CD1 3.91Å; L31-L60 HydrophobicContact CD2-CD2 3.86Å; M56-L60 WeakPolarHBondContact O-CG 3.4Å; M56-L60 PolarHBondContact O-N 3.07Å; Y57-L60 PolarHBondContact O-N 3.35Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 2.84Å; L60-I63 WeakPolarHBondContact O-CB 3.2Å; L60-I63 PolarHBondContact O-N 3.13Å; L60-I63 VanDerWaalsContact O-N 3.1Å; L60-N64 PolarHBondContact O-N 2.91Å
61A96.6Very high95.6Very high21 Ų2186.1 Ų86.117%0.17440%0.404CS..Hα-helixtrans-59.3-41.3177.200000111.6Y57 E58 I63 N64 T65Y57-A61 HydrophobicContact CE1-CB 4.08Å; Y57-A61 WeakPolarHBondContact O-CB 3.38Å; Y57-A61 PolarHBondContact O-N 2.88Å; E58-A61 PolarHBondContact O-N 2.99Å; A61-I63 VanDerWaalsContact C-N 3.31Å; A61-I63 PolarHBondContact O-N 3.19Å; A61-N64 PolarHBondContact O-N 2.96Å; A61-T65 WeakPolarHBondContact O-CB 3.36Å; A61-T65 WeakPolarHBondContact O-CG2 3.42Å; A61-T65 PolarHBondContact O-N 3.42Å; A61-T65 PolarHBondContact O-OG1 3.37Å
62R97.1Very high95.7Very high84 Ų8484.4 Ų84.432%0.31739%0.394SS..Hα-helixtrans-62-36.3174.8-72.5172.1-168.4126.49.3113.1E58 S59 L60 N66 I67 Y68E58-R62 WeakPolarHBondContact O-CB 3.39Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.41Å; E58-R62 PolarHBondContact O-N 3.18Å; E58-R62 IonicContact OE2-CZ 3.43Å; E58-R62 IonicContact OE2-NH1 2.69Å; E58-R62 IonicContact OE2-NH2 3.98Å; E58-R62 PolarHBondContact OE2-NH2 3.1Å; S59-R62 PolarHBondContact O-N 3.27Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 2.84Å; R62-N66 PolarHBondContact O-N 2.9Å; R62-I67 HydrophobicContact CB-CB 4.4Å; R62-I67 HydrophobicContact CB-CD1 4.29Å; R62-I67 HydrophobicContact CG-CD1 3.82Å; R62-I67 PolarHBondContact O-N 3.06Å; R62-I67 VanDerWaalsContact O-N 3.12Å; R62-Y68 HydrophobicContact CB-CE2 4.42Å
63I96.3Very high95.6Very high96 Ų9684 Ų8449%0.49240%0.404SS..Hα-helixtrans-68.7-50.2175-66.3165.9000109.8W16 S59 L60 A61 T65 N66W16-I63 HydrophobicContact CH2-CB 3.96Å; W16-I63 HydrophobicContact CH2-CG2 3.68Å; W16-I63 HydrophobicContact CZ2-CG2 4.04Å; S59-I63 WeakPolarHBondContact O-CG1 3.33Å; S59-I63 PolarHBondContact O-N 3.48Å; L60-I63 WeakPolarHBondContact O-CB 3.2Å; L60-I63 PolarHBondContact O-N 3.13Å; L60-I63 VanDerWaalsContact O-N 3.1Å; A61-I63 VanDerWaalsContact C-N 3.31Å; A61-I63 PolarHBondContact O-N 3.19Å; I63-T65 VanDerWaalsContact C-N 3.28Å; I63-T65 PolarHBondContact O-N 3.47Å; I63-N66 PolarHBondContact O-N 3.32Å
64N95.9Very high95.4Very high33 Ų3390.5 Ų90.518%0.17643%0.426CS..Hα-helixtrans-60.8-37.9-177-165.847.2000112.6L12 E15 W16 L60 A61 N66L12-N64 HydrophobicContact CD1-CB 3.96Å; E15-N64 WeakPolarHBondContact CB-ND2 3.27Å; E15-N64 PolarHBondContact OE2-ND2 2.91Å; W16-N64 HydrophobicContact CE3-CB 3.87Å; W16-N64 HydrophobicContact CZ3-CB 3.86Å; L60-N64 PolarHBondContact O-N 2.91Å; A61-N64 PolarHBondContact O-N 2.96Å; N64-N66 VanDerWaalsContact C-N 3.29Å; N64-N66 PolarHBondContact O-N 3.34Å
65T95.7Very high95.3Very high67 Ų6796 Ų9641%0.41146%0.461SS..THydrogen-bonded Turntrans-85.43.5179.153.50000113.6A61 I63 I67A61-T65 WeakPolarHBondContact O-CB 3.36Å; A61-T65 WeakPolarHBondContact O-CG2 3.42Å; A61-T65 PolarHBondContact O-N 3.42Å; A61-T65 PolarHBondContact O-OG1 3.37Å; I63-T65 VanDerWaalsContact C-N 3.28Å; I63-T65 PolarHBondContact O-N 3.47Å; T65-I67 PolarHBondContact O-N 2.93Å; T65-I67 VanDerWaalsContact O-N 3.1Å; T65-I67 WeakPolarHBondContact OG1-CD1 3.34Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.35Å
66N94.8Very high95Very high91 Ų9199.3 Ų99.349%0.48747%0.468SS..THydrogen-bonded Turntrans53.928.2-179.5-69.2-59.8000114.8R62 I63 N64 Y68 R69 E70R62-N66 PolarHBondContact O-N 2.9Å; I63-N66 PolarHBondContact O-N 3.32Å; N64-N66 VanDerWaalsContact C-N 3.29Å; N64-N66 PolarHBondContact O-N 3.34Å; N66-Y68 PolarHBondContact O-N 3.26Å; N66-R69 HydrophobicContact CB-CB 4.22Å; N66-R69 WeakPolarHBondContact O-CB 3.3Å; N66-R69 PolarHBondContact O-N 3.15Å; N66-E70 PolarHBondContact O-N 2.8Å; N66-E70 VanDerWaalsContact O-N 3.13Å
67I96.6Very high94.7Very high68 Ų6898.1 Ų98.135%0.34946%0.464SS..Hα-helixtrans-49.9-41.3-173-84.8171.6000112.8R62 T65 R71R62-I67 HydrophobicContact CB-CB 4.4Å; R62-I67 HydrophobicContact CB-CD1 4.29Å; R62-I67 HydrophobicContact CG-CD1 3.82Å; R62-I67 PolarHBondContact O-N 3.06Å; R62-I67 VanDerWaalsContact O-N 3.12Å; T65-I67 PolarHBondContact O-N 2.93Å; T65-I67 VanDerWaalsContact O-N 3.1Å; T65-I67 WeakPolarHBondContact OG1-CD1 3.34Å; T65-I67 WeakPolarHBondContact OG1-CG1 3.35Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 PolarHBondContact O-N 3.47Å
68Y94.4Very high94.6Very high122 Ų12298.6 Ų98.648%0.47847%0.47SS..Hα-helixtrans-76.6-29.2-178.3-64.2-59.9000113.8R62 N66 E70 F72R62-Y68 HydrophobicContact CB-CE2 4.42Å; N66-Y68 PolarHBondContact O-N 3.26Å; Y68-E70 VanDerWaalsContact C-N 3.32Å; Y68-F72 HydrophobicContact CD1-CD2 4.26Å; Y68-F72 AromaticContact CD1-CE2 3.89Å; Y68-F72 HydrophobicContact CD1-CE2 3.89Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 WeakPolarHBondContact O-CD2 3.46Å; Y68-F72 PolarHBondContact O-N 2.92Å
69R91.9Very high94.3Very high152 Ų15296.5 Ų96.557%0.57447%0.465SS*.Hα-helixtrans-67-39.8173.8-174.4178.9-174.9-93.32.2110.3N66 F72 D77N66-R69 HydrophobicContact CB-CB 4.22Å; N66-R69 WeakPolarHBondContact O-CB 3.3Å; N66-R69 PolarHBondContact O-N 3.15Å; R69-F72 CarbonylContact O-C 3.59Å; R69-D77 IonicContact NH2-OD2 3.18Å; R69-D77 PolarHBondContact NH2-OD2 3.04Å
70E93.9Very high93.9Very high139 Ų139104.1 Ų104.165%0.6549%0.492SS*.Hα-helixtrans-73.7-42.8178-64.2-179.2175.600112N66 Y68 F72N66-E70 PolarHBondContact O-N 2.8Å; N66-E70 VanDerWaalsContact O-N 3.13Å; Y68-E70 VanDerWaalsContact C-N 3.32Å; E70-F72 VanDerWaalsContact C-N 3.31Å; E70-F72 PolarHBondContact O-N 2.82Å
71R96.8Very high93.7Very high175 Ų175107.9 Ų107.966%0.6652%0.516SS*.Hα-helixtrans-68.4-30.3-179.7-172.7173.7-176.3-176.41.4113.1I67I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 PolarHBondContact O-N 3.47Å
72F94.4Very high93.6Very high121 Ų121109.1 Ų109.153%0.53153%0.531SS..SBendtrans-127.475.5-177.9-54.1-68.4000110.9Y68 R69 E70 R74Y68-F72 HydrophobicContact CD1-CD2 4.26Å; Y68-F72 AromaticContact CD1-CE2 3.89Å; Y68-F72 HydrophobicContact CD1-CE2 3.89Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 WeakPolarHBondContact O-CD2 3.46Å; Y68-F72 PolarHBondContact O-N 2.92Å; R69-F72 CarbonylContact O-C 3.59Å; E70-F72 VanDerWaalsContact C-N 3.31Å; E70-F72 PolarHBondContact O-N 2.82Å; F72-R74 PolarHBondContact O-N 3.22Å
73P92.8Very high93.5Very high112 Ų112106.7 Ų106.773%0.72753%0.525SS*.  trans-58.7137.2179.1-22.733.8000111.6
74R90.5Very high93.4Very high154 Ų154104.2 Ų104.258%0.58152%0.515SS*.  trans-105.7144.5179.4-59.7-171.3-62.2173.74.4110.5F72 R76 D77 T78F72-R74 PolarHBondContact O-N 3.22Å; R74-R76 VanDerWaalsContact C-N 3.27Å; R74-R76 WeakPolarHBondContact CB-O 3.41Å; R74-R76 PolarHBondContact O-N 3.34Å; R74-D77 IonicContact NH2-OD1 3.14Å; R74-D77 PolarHBondContact NH2-OD1 3.05Å; R74-D77 VanDerWaalsContact NH2-OD1 3.15Å; R74-T78 PolarHBondContact NH1-O 2.78Å
75T92.1Very high93.2Very high151 Ų151106.6 Ų106.693%0.92653%0.53SS*.SBendtrans-68.5-28.3174.7-41.30000112.6
76R91.1Very high93.1Very high196 Ų196109.6 Ų109.674%0.7454%0.54SS*.  trans-125.1140.3-179-63.4-178.1-179.9169.5-0.4109.5R74 T78R74-R76 VanDerWaalsContact C-N 3.27Å; R74-R76 WeakPolarHBondContact CB-O 3.41Å; R74-R76 PolarHBondContact O-N 3.34Å; R76-T78 VanDerWaalsContact C-N 3.28Å; R76-T78 PolarHBondContact O-N 3.02Å
77D90.5Very high93.1Very high79 Ų79109.5 Ų109.542%0.42254%0.537SS..  trans-98.349.5173.6-146.26000111.7R69 R74R69-D77 IonicContact NH2-OD2 3.18Å; R69-D77 PolarHBondContact NH2-OD2 3.04Å; R74-D77 IonicContact NH2-OD1 3.14Å; R74-D77 PolarHBondContact NH2-OD1 3.05Å; R74-D77 VanDerWaalsContact NH2-OD1 3.15Å
78T94.2Very high92.9Very high44 Ų44108.3 Ų108.327%0.2753%0.534SS..BIsolated β-bridgetrans-119.8157.9174.155.50000110.3R74 R76 V83 T84R74-T78 PolarHBondContact NH1-O 2.78Å; R76-T78 VanDerWaalsContact C-N 3.28Å; R76-T78 PolarHBondContact O-N 3.02Å; T78-V83 CarbonylContact C-O 3.57Å; T78-V83 WeakPolarHBondContact CA-O 3.49Å; T78-T84 HydrophobicContact CG2-CG2 4.29Å
79S90.9Very high92.8Very high40 Ų40108.9 Ų108.928%0.2854%0.535SS..  trans-72.7174.4170.776.60000110.9T81 G82 V83S79-T81 PolarHBondContact O-N 3.36Å; S79-T81 PolarHBondContact OG-N 3.04Å; S79-T81 PolarHBondContact OG-OG1 3.1Å; S79-T81 VanDerWaalsContact OG-OG1 3.05Å; S79-G82 PolarHBondContact O-N 3Å; S79-V83 WeakPolarHBondContact CB-O 3.22Å; S79-V83 PolarHBondContact N-O 3.35Å; S79-V83 PolarHBondContact OG-N 2.83Å; S79-V83 PolarHBondContact OG-O 3.36Å
80F88.9Confident92.9Very high211 Ų211107.8 Ų107.893%0.92554%0.538SS*.THydrogen-bonded Turntrans-56.8-33175.3173.7-104.6000112.9G82F80-G82 PolarHBondContact O-N 2.77Å
81T92.7Very high92.8Very high109 Ų109105.9 Ų105.967%0.66953%0.532SS*.THydrogen-bonded Turntrans-83.56.7178.3590000113.1S79 V83S79-T81 PolarHBondContact O-N 3.36Å; S79-T81 PolarHBondContact OG-N 3.04Å; S79-T81 PolarHBondContact OG-OG1 3.1Å; S79-T81 VanDerWaalsContact OG-OG1 3.05Å; T81-V83 VanDerWaalsContact C-N 3.3Å; T81-V83 PolarHBondContact O-N 2.69Å; T81-V83 WeakPolarHBondContact OG1-CG2 3.34Å
82G94Very high92.6Very high47 Ų47101.5 Ų101.549%0.48552%0.521SS..SBendtrans815.2-178.800000114.8S79 F80S79-G82 PolarHBondContact O-N 3Å; F80-G82 PolarHBondContact O-N 2.77Å
83V95.2Very high92.6Very high33 Ų3396.5 Ų96.520%0.250%0.502CS..  trans-85.9137.3-175.9-177.90000110.3T78 S79 T81 E87 L91T78-V83 CarbonylContact C-O 3.57Å; T78-V83 WeakPolarHBondContact CA-O 3.49Å; S79-V83 WeakPolarHBondContact CB-O 3.22Å; S79-V83 PolarHBondContact N-O 3.35Å; S79-V83 PolarHBondContact OG-N 2.83Å; S79-V83 PolarHBondContact OG-O 3.36Å; T81-V83 VanDerWaalsContact C-N 3.3Å; T81-V83 PolarHBondContact O-N 2.69Å; T81-V83 WeakPolarHBondContact OG1-CG2 3.34Å; V83-E87 HydrophobicContact CG1-CB 3.34Å; V83-E87 HydrophobicContact CG1-CG 4.41Å; V83-L91 HydrophobicContact CG1-CD1 4.42Å
84T95Very high92.6Very high44 Ų4492.5 Ų92.527%0.2748%0.476SS..BIsolated β-bridgetrans-72.8167.5176.661.30000112.3T78 E86 E87 C88T78-T84 HydrophobicContact CG2-CG2 4.29Å; T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 3.34Å; T84-E87 WeakPolarHBondContact CB-OE2 3.4Å; T84-E87 PolarHBondContact N-OE2 3.31Å; T84-E87 PolarHBondContact O-N 2.91Å; T84-E87 WeakPolarHBondContact OG1-CB 3.36Å; T84-E87 WeakPolarHBondContact OG1-CG 3.45Å; T84-E87 PolarHBondContact OG1-N 3.11Å; T84-E87 PolarHBondContact OG1-OE2 3.35Å; T84-C88 WeakPolarHBondContact O-CB 3.34Å; T84-C88 PolarHBondContact O-N 3.41Å; T84-C88 PolarHBondContact O-SG 3.37Å
85V91.6Very high92.6Very high83 Ų8387 Ų8750%0.50347%0.467SS..Hα-helixtrans-63.8-39.5177.6175.10000111C88 R89V85-C88 PolarHBondContact O-N 3.14Å; V85-R89 WeakPolarHBondContact O-CB 3.3Å; V85-R89 PolarHBondContact O-N 3.17Å
86E92.8Very high92.5Very high130 Ų13081.7 Ų81.761%0.60744%0.436SS*.Hα-helixtrans-65.4-45.5-179.7-67.865.6-145.700110.9T84 R89 M90T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 3.34Å; E86-R89 WeakPolarHBondContact O-CB 3.47Å; E86-R89 PolarHBondContact O-N 2.84Å; E86-R89 VanDerWaalsContact O-N 3.17Å; E86-M90 WeakPolarHBondContact O-CG 3.5Å; E86-M90 PolarHBondContact O-N 3.02Å
87E94.4Very high92.4Very high90 Ų9075.9 Ų75.942%0.42142%0.418SS..Hα-helixtrans-64.4-43.8175-71.1165.6142.700111.3V83 T84 R89 M90 L91V83-E87 HydrophobicContact CG1-CB 3.34Å; V83-E87 HydrophobicContact CG1-CG 4.41Å; T84-E87 WeakPolarHBondContact CB-OE2 3.4Å; T84-E87 PolarHBondContact N-OE2 3.31Å; T84-E87 PolarHBondContact O-N 2.91Å; T84-E87 WeakPolarHBondContact OG1-CB 3.36Å; T84-E87 WeakPolarHBondContact OG1-CG 3.45Å; T84-E87 PolarHBondContact OG1-N 3.11Å; T84-E87 PolarHBondContact OG1-OE2 3.35Å; E87-R89 PolarHBondContact O-N 3.47Å; E87-M90 PolarHBondContact O-N 3.46Å; E87-L91 WeakPolarHBondContact O-CB 3.35Å; E87-L91 VanDerWaalsContact O-CG 3.29Å; E87-L91 WeakPolarHBondContact O-CG 3.41Å; E87-L91 PolarHBondContact O-N 3.41Å
88C93.1Very high92.3Very high43 Ų4377.5 Ų77.529%0.29142%0.423SS..Hα-helixtrans-58.6-38.9172.5-77.80000111.6T84 V85 L92T84-C88 WeakPolarHBondContact O-CB 3.34Å; T84-C88 PolarHBondContact O-N 3.41Å; T84-C88 PolarHBondContact O-SG 3.37Å; V85-C88 PolarHBondContact O-N 3.14Å; C88-L92 VanDerWaalsContact O-CB 3.32Å; C88-L92 WeakPolarHBondContact O-CB 3.49Å; C88-L92 VanDerWaalsContact O-CG 3.23Å; C88-L92 WeakPolarHBondContact O-CG 3.12Å; C88-L92 PolarHBondContact O-N 3.49Å
89R92.9Very high92Very high133 Ų13380.9 Ų80.950%0.50244%0.436SS..Hα-helixtrans-65.5-45.2177.7-169.2179.6-171.4130.54111.4D19 V85 E86 E87 L92 A93D19-R89 VanDerWaalsContact CG-NH2 3.28Å; D19-R89 IonicContact OD1-CZ 3.93Å; D19-R89 IonicContact OD1-NE 3.53Å; D19-R89 IonicContact OD1-NH2 3.72Å; D19-R89 PolarHBondContact OD1-NH2 3.21Å; D19-R89 IonicContact OD2-CZ 2.74Å; D19-R89 IonicContact OD2-NH2 3.15Å; V85-R89 WeakPolarHBondContact O-CB 3.3Å; V85-R89 PolarHBondContact O-N 3.17Å; E86-R89 WeakPolarHBondContact O-CB 3.47Å; E86-R89 PolarHBondContact O-N 2.84Å; E86-R89 VanDerWaalsContact O-N 3.17Å; E87-R89 PolarHBondContact O-N 3.47Å; R89-L92 PolarHBondContact O-N 2.83Å; R89-A93 PolarHBondContact O-N 2.9Å
90M93.6Very high91.9Very high130 Ų13083 Ų8364%0.6444%0.443SS*.Hα-helixtrans-61.4-50.1175.7-69.8-148-60.200111.4E86 E87 L92 A93 S96E86-M90 WeakPolarHBondContact O-CG 3.5Å; E86-M90 PolarHBondContact O-N 3.02Å; E87-M90 PolarHBondContact O-N 3.46Å; M90-L92 PolarHBondContact O-N 2.88Å; M90-A93 VanDerWaalsContact O-CB 3.29Å; M90-A93 WeakPolarHBondContact O-CB 3.37Å; M90-A93 PolarHBondContact O-N 2.86Å; M90-A93 VanDerWaalsContact O-N 3.08Å; M90-S96 WeakPolarHBondContact O-CB 3.49Å; M90-S96 PolarHBondContact O-OG 3.21Å; M90-S96 VanDerWaalsContact O-OG 3.05Å
91L91.5Very high91.9Very high98 Ų9876.9 Ų76.951%0.51342%0.419SS..Hα-helixtrans-58-36.1179.5-71.3172000112.9V83 E87V83-L91 HydrophobicContact CG1-CD1 4.42Å; E87-L91 WeakPolarHBondContact O-CB 3.35Å; E87-L91 VanDerWaalsContact O-CG 3.29Å; E87-L91 WeakPolarHBondContact O-CG 3.41Å; E87-L91 PolarHBondContact O-N 3.41Å
92L91.8Very high91.8Very high83 Ų8378 Ų7844%0.43542%0.417SS..Hα-helixtrans-88.5-6.5-179.1-66.1174.1000113.9R25 C88 R89 M90R25-L92 PolarHBondContact NH2-O 3.4Å; C88-L92 VanDerWaalsContact O-CB 3.32Å; C88-L92 WeakPolarHBondContact O-CB 3.49Å; C88-L92 VanDerWaalsContact O-CG 3.23Å; C88-L92 WeakPolarHBondContact O-CG 3.12Å; C88-L92 PolarHBondContact O-N 3.49Å; R89-L92 PolarHBondContact O-N 2.83Å; M90-L92 PolarHBondContact O-N 2.88Å
93A94.8Very high91.5Very high17 Ų1781.9 Ų81.914%0.1442%0.422CS..SBendtrans-62.4138.6176.400000109.9S21 R89 M90 G95 S96 M97S21-A93 WeakPolarHBondContact O-CA 3.32Å; R89-A93 PolarHBondContact O-N 2.9Å; M90-A93 VanDerWaalsContact O-CB 3.29Å; M90-A93 WeakPolarHBondContact O-CB 3.37Å; M90-A93 PolarHBondContact O-N 2.86Å; M90-A93 VanDerWaalsContact O-N 3.08Å; A93-G95 PolarHBondContact O-N 3.29Å; A93-S96 PolarHBondContact O-N 3.06Å; A93-S96 VanDerWaalsContact O-N 3.14Å; A93-M97 PolarHBondContact O-N 3.31Å
94T92.9Very high91Very high28 Ų2885 Ų8517%0.17243%0.434CS..Hα-helixtrans-58.9-36.5-177.2-64.80000111.8S21 K23 R25 M97 Q98S21-T94 PolarHBondContact O-N 3.41Å; S21-T94 PolarHBondContact O-OG1 3.02Å; K23-T94 PolarHBondContact O-OG1 3.34Å; R25-T94 PolarHBondContact NH2-OG1 3.31Å; T94-M97 PolarHBondContact O-N 3.33Å; T94-Q98 HydrophobicContact CG2-CG 4.45Å; T94-Q98 WeakPolarHBondContact O-CB 3.32Å; T94-Q98 VanDerWaalsContact O-CG 3.26Å; T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.22Å
95G90.4Very high90.6Very high39 Ų3989.4 Ų89.440%0.40245%0.449SS..Hα-helixtrans-61.9-46.9175.500000112.9A93 M97 Q98 Q99A93-G95 PolarHBondContact O-N 3.29Å; G95-M97 PolarHBondContact O-N 2.79Å; G95-Q98 PolarHBondContact O-N 3.04Å; G95-Q99 WeakPolarHBondContact O-CG 3.43Å; G95-Q99 PolarHBondContact O-N 3.08Å
96S89.9Confident90.3Very high39 Ų3987 Ų8727%0.27344%0.441SS..Hα-helixtrans-65.1-39.1179.3-57.80000112.4M90 A93 Q99 M100M90-S96 WeakPolarHBondContact O-CB 3.49Å; M90-S96 PolarHBondContact O-OG 3.21Å; M90-S96 VanDerWaalsContact O-OG 3.05Å; A93-S96 PolarHBondContact O-N 3.06Å; A93-S96 VanDerWaalsContact O-N 3.14Å; S96-Q99 PolarHBondContact O-N 3.09Å; S96-M100 WeakPolarHBondContact O-CG 3.46Å; S96-M100 PolarHBondContact O-N 2.84Å
97M88.7Confident90.1Very high73 Ų7386.7 Ų86.736%0.3644%0.443SS..Hα-helixtrans-65.8-39.5175.5-68-175.568.700112.6R25 A93 T94 G95 M100 D101R25-M97 PolarHBondContact NH1-SD 2.88Å; R25-M97 PolarHBondContact NH2-SD 3.11Å; R25-M97 VanDerWaalsContact NH2-SD 3.45Å; A93-M97 PolarHBondContact O-N 3.31Å; T94-M97 PolarHBondContact O-N 3.33Å; G95-M97 PolarHBondContact O-N 2.79Å; M97-M100 PolarHBondContact O-N 3.42Å; M97-D101 PolarHBondContact O-N 2.66Å
98Q89.9Confident89.5Confident114 Ų11490.9 Ų90.953%0.53346%0.455SS..Hα-helixtrans-63.8-44.4176.5-75.6172.6-19.800111.7T94 G95 M100 D101 E102T94-Q98 HydrophobicContact CG2-CG 4.45Å; T94-Q98 WeakPolarHBondContact O-CB 3.32Å; T94-Q98 VanDerWaalsContact O-CG 3.26Å; T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.22Å; G95-Q98 PolarHBondContact O-N 3.04Å; Q98-M100 PolarHBondContact O-N 2.92Å; Q98-D101 PolarHBondContact O-N 3.41Å; Q98-E102 WeakPolarHBondContact O-CG 3.46Å; Q98-E102 PolarHBondContact O-N 3.19Å
99Q88.1Confident89.2Confident115 Ų11595.1 Ų95.154%0.53747%0.469SS..Hα-helixtrans-57.9-48174.9-72.7173.3-13.900111.3G95 S96 D101 E102 E103G95-Q99 WeakPolarHBondContact O-CG 3.43Å; G95-Q99 PolarHBondContact O-N 3.08Å; S96-Q99 PolarHBondContact O-N 3.09Å; Q99-D101 VanDerWaalsContact C-N 3.31Å; Q99-D101 PolarHBondContact O-N 3.04Å; Q99-E102 PolarHBondContact O-N 2.73Å; Q99-E103 WeakPolarHBondContact O-CB 3.19Å; Q99-E103 WeakPolarHBondContact O-CG 3.32Å; Q99-E103 PolarHBondContact O-N 2.78Å
100M88.6Confident88.9Confident85 Ų8591.7 Ų91.742%0.41946%0.462SS..Hα-helixtrans-61.1-37.4176.7-74.3-177.86800113S96 M97 Q98 K104S96-M100 WeakPolarHBondContact O-CG 3.46Å; S96-M100 PolarHBondContact O-N 2.84Å; M97-M100 PolarHBondContact O-N 3.42Å; Q98-M100 PolarHBondContact O-N 2.92Å; M100-K104 WeakPolarHBondContact O-CB 3.31Å; M100-K104 WeakPolarHBondContact O-CG 3.29Å; M100-K104 PolarHBondContact O-N 3.4Å
101D88.1Confident88.5Confident81 Ų8189.8 Ų89.843%0.43346%0.455SS..Hα-helixtrans-70-36.3177.5-78.7-13.2000112.1M97 Q98 Q99 K105M97-D101 PolarHBondContact O-N 2.66Å; Q98-D101 PolarHBondContact O-N 3.41Å; Q99-D101 VanDerWaalsContact C-N 3.31Å; Q99-D101 PolarHBondContact O-N 3.04Å; D101-K105 VanDerWaalsContact O-CG 3.27Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 2.87Å; D101-K105 VanDerWaalsContact O-N 3.07Å
102E89.9Confident88.3Confident134 Ų13488.6 Ų88.663%0.62645%0.452SS*.Hα-helixtrans-68-46173.9-73177.9175.500112Q98 Q99 K104 K105 G106Q98-E102 WeakPolarHBondContact O-CG 3.46Å; Q98-E102 PolarHBondContact O-N 3.19Å; Q99-E102 PolarHBondContact O-N 2.73Å; E102-K104 PolarHBondContact O-N 3.39Å; E102-K105 WeakPolarHBondContact O-CB 3.45Å; E102-K105 PolarHBondContact O-N 3.38Å; E102-G106 PolarHBondContact O-N 3.33Å
103E87.6Confident88.1Confident127 Ų12790.5 Ų90.559%0.59346%0.458SS*.Hα-helixtrans-59.1-46.4175.1-74.8175.5-177.100111.3Q99 K105 G106 L107Q99-E103 WeakPolarHBondContact O-CB 3.19Å; Q99-E103 WeakPolarHBondContact O-CG 3.32Å; Q99-E103 PolarHBondContact O-N 2.78Å; E103-K105 VanDerWaalsContact C-N 3.35Å; E103-K105 PolarHBondContact O-N 3.37Å; E103-G106 PolarHBondContact O-N 3.17Å; E103-G106 VanDerWaalsContact O-N 3.13Å; E103-L107 WeakPolarHBondContact O-CG 3.49Å; E103-L107 PolarHBondContact O-N 3.01Å
104K84.6Confident87.5Confident100 Ų10098.9 Ų98.944%0.43549%0.486SS..Hα-helixtrans-54.7-52.1173.4-78.1171.3-172.4169.60110.3M100 E102 G106 L107 W108M100-K104 WeakPolarHBondContact O-CB 3.31Å; M100-K104 WeakPolarHBondContact O-CG 3.29Å; M100-K104 PolarHBondContact O-N 3.4Å; E102-K104 PolarHBondContact O-N 3.39Å; K104-G106 PolarHBondContact O-N 2.9Å; K104-L107 PolarHBondContact O-N 3Å; K104-L107 VanDerWaalsContact O-N 3.1Å; K104-W108 PolarHBondContact O-N 3.18Å
105K86.8Confident86.9Confident135 Ų135105.4 Ų105.459%0.58751%0.512SS*.Hα-helixtrans-56.2-40.1178.6-73.2167.5-175172.20112.1D101 E102 E103 K109D101-K105 VanDerWaalsContact O-CG 3.27Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 2.87Å; D101-K105 VanDerWaalsContact O-N 3.07Å; E102-K105 WeakPolarHBondContact O-CB 3.45Å; E102-K105 PolarHBondContact O-N 3.38Å; E103-K105 VanDerWaalsContact C-N 3.35Å; E103-K105 PolarHBondContact O-N 3.37Å; K105-K109 WeakPolarHBondContact O-CG 3.45Å; K105-K109 PolarHBondContact O-N 2.89Å
106G86.6Confident86.1Confident34 Ų34107.8 Ų107.835%0.35152%0.523SS..Hα-helixtrans-60.7-48.4174.300000112.6E102 E103 K104 K109 T110E102-G106 PolarHBondContact O-N 3.33Å; E103-G106 PolarHBondContact O-N 3.17Å; E103-G106 VanDerWaalsContact O-N 3.13Å; K104-G106 PolarHBondContact O-N 2.9Å; G106-K109 WeakPolarHBondContact O-CB 3.48Å; G106-K109 PolarHBondContact O-N 3.36Å; G106-T110 PolarHBondContact O-N 3.33Å; G106-T110 PolarHBondContact O-OG1 2.98Å
107L88.1Confident84.7Confident123 Ų123111.1 Ų111.164%0.64454%0.542SS*.Hα-helixtrans-64.2-41.8178.1-65.9171.1000112.5E103 K104 K109 T110 L111E103-L107 WeakPolarHBondContact O-CG 3.49Å; E103-L107 PolarHBondContact O-N 3.01Å; K104-L107 PolarHBondContact O-N 3Å; K104-L107 VanDerWaalsContact O-N 3.1Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.47Å; L107-T110 PolarHBondContact O-N 3.4Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 2.89Å
108W82.7Confident83.1Confident177 Ų177116.5 Ų116.567%0.6756%0.563SS**Hα-helixtrans-60.3-42.4174.8-78.5101.9000111.2K104 L111 T112K104-W108 PolarHBondContact O-N 3.18Å; W108-L111 PolarHBondContact O-N 3.03Å; W108-T112 PolarHBondContact O-N 3.3Å; W108-T112 PolarHBondContact O-OG1 2.83Å
109K86.5Confident81.4Confident132 Ų132117 Ų11757%0.57458%0.576SS**Hα-helixtrans-59.8-51.7175.2-76.1177.2-179.7-173.70111.8K105 G106 L107 L111 T112 E113K105-K109 WeakPolarHBondContact O-CG 3.45Å; K105-K109 PolarHBondContact O-N 2.89Å; G106-K109 WeakPolarHBondContact O-CB 3.48Å; G106-K109 PolarHBondContact O-N 3.36Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.47Å; K109-L111 VanDerWaalsContact C-N 3.26Å; K109-L111 PolarHBondContact O-N 3.05Å; K109-T112 WeakPolarHBondContact CA-OG1 3.37Å; K109-T112 PolarHBondContact O-N 3.43Å; K109-T112 PolarHBondContact O-OG1 3.34Å; K109-E113 WeakPolarHBondContact O-CB 3.24Å; K109-E113 VanDerWaalsContact O-CG 3.3Å; K109-E113 WeakPolarHBondContact O-CG 3.36Å; K109-E113 PolarHBondContact O-N 3.29Å
110T87Confident79.4Confident61 Ų61120.2 Ų120.237%0.37459%0.592SS.*Hα-helixtrans-59.7-39178.1-53.20000111.9G106 L107 R114G106-T110 PolarHBondContact O-N 3.33Å; G106-T110 PolarHBondContact O-OG1 2.98Å; L107-T110 PolarHBondContact O-N 3.4Å; T110-R114 VanDerWaalsContact O-CG 3.3Å; T110-R114 WeakPolarHBondContact O-CG 3.15Å; T110-R114 PolarHBondContact O-N 3.42Å
111L85.1Confident77.5Confident91 Ų91123.2 Ų123.248%0.47661%0.609SS.*Hα-helixtrans-66.6-48.3177.1-160.9114.4000110.8L107 W108 K109 E113 R114 F115L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 2.89Å; W108-L111 PolarHBondContact O-N 3.03Å; K109-L111 VanDerWaalsContact C-N 3.26Å; K109-L111 PolarHBondContact O-N 3.05Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-E113 PolarHBondContact O-N 3.29Å; L111-R114 PolarHBondContact O-N 3.17Å; L111-F115 HydrophobicContact CD1-CE2 4.22Å; L111-F115 HydrophobicContact CD2-CD2 3.84Å; L111-F115 HydrophobicContact CD2-CE2 3.67Å; L111-F115 HydrophobicContact CG-CD2 3.86Å; L111-F115 HydrophobicContact CG-CE2 3.63Å; L111-F115 WeakPolarHBondContact O-CD2 3.35Å; L111-F115 PolarHBondContact O-N 3.17Å
112T86.6Confident75.6Confident73 Ų73125.9 Ų125.945%0.44863%0.628SS.*Hα-helixtrans-61.1-38.1175.942.10000112.9W108 K109 F115 S116W108-T112 PolarHBondContact O-N 3.3Å; W108-T112 PolarHBondContact O-OG1 2.83Å; K109-T112 WeakPolarHBondContact CA-OG1 3.37Å; K109-T112 PolarHBondContact O-N 3.43Å; K109-T112 PolarHBondContact O-OG1 3.34Å; T112-F115 PolarHBondContact O-N 3.3Å; T112-S116 WeakPolarHBondContact O-CB 3.32Å; T112-S116 PolarHBondContact O-N 3.48Å; T112-S116 PolarHBondContact O-OG 3.26Å
113E87.5Confident73.4Confident122 Ų122124.8 Ų124.857%0.5763%0.631SS**Hα-helixtrans-63.2-46.9176.3-75166-172.100111K109 L111 F115 S116 T117K109-E113 WeakPolarHBondContact O-CB 3.24Å; K109-E113 VanDerWaalsContact O-CG 3.3Å; K109-E113 WeakPolarHBondContact O-CG 3.36Å; K109-E113 PolarHBondContact O-N 3.29Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-E113 PolarHBondContact O-N 3.29Å; E113-F115 VanDerWaalsContact C-N 3.26Å; E113-F115 PolarHBondContact O-N 2.83Å; E113-S116 PolarHBondContact O-N 2.99Å; E113-S116 VanDerWaalsContact O-N 3.08Å; E113-T117 PolarHBondContact O-N 3.21Å; E113-T117 VanDerWaalsContact O-N 3.11Å
114R83Confident71.4Confident193 Ų193124.1 Ų124.173%0.72864%0.637SS**Hα-helixtrans-61.1-32.1176.2-74.6179-178.5-170.21.3113.6T110 L111 T117T110-R114 VanDerWaalsContact O-CG 3.3Å; T110-R114 WeakPolarHBondContact O-CG 3.15Å; T110-R114 PolarHBondContact O-N 3.42Å; L111-R114 PolarHBondContact O-N 3.17Å; R114-T117 PolarHBondContact O-OG1 3.48Å
115F79.5Confident69.3Low165 Ų165128.3 Ų128.372%0.72466%0.659SS**Hα-helixtrans-87.9-13.9176-74.2-67.7000113.5L111 T112 E113L111-F115 HydrophobicContact CD1-CE2 4.22Å; L111-F115 HydrophobicContact CD2-CD2 3.84Å; L111-F115 HydrophobicContact CD2-CE2 3.67Å; L111-F115 HydrophobicContact CG-CD2 3.86Å; L111-F115 HydrophobicContact CG-CE2 3.63Å; L111-F115 WeakPolarHBondContact O-CD2 3.35Å; L111-F115 PolarHBondContact O-N 3.17Å; T112-F115 PolarHBondContact O-N 3.3Å; E113-F115 VanDerWaalsContact C-N 3.26Å; E113-F115 PolarHBondContact O-N 2.83Å
116S73Confident67.4Low90 Ų90131.7 Ų131.763%0.62967%0.673SS**Hα-helixtrans-98.6-11-179.2-57.80000113.7T112 E113 K118T112-S116 WeakPolarHBondContact O-CB 3.32Å; T112-S116 PolarHBondContact O-N 3.48Å; T112-S116 PolarHBondContact O-OG 3.26Å; E113-S116 PolarHBondContact O-N 2.99Å; E113-S116 VanDerWaalsContact O-N 3.08Å; S116-K118 VanDerWaalsContact C-N 3.33Å; S116-K118 PolarHBondContact O-N 3.34Å
117T61.2Low65.7Low109 Ų109136.2 Ų136.267%0.66969%0.694SS**  trans-64.797.2165.9520000108.4E113 R114E113-T117 PolarHBondContact O-N 3.21Å; E113-T117 VanDerWaalsContact O-N 3.11Å; R114-T117 PolarHBondContact O-OG1 3.48Å
118K55.6Low63.8Low185 Ų185135.9 Ų135.980%0.80470%0.699SS**  trans-51.6142.7167.3-90.4178.9172.8177.60109S116 E120S116-K118 VanDerWaalsContact C-N 3.33Å; S116-K118 PolarHBondContact O-N 3.34Å; K118-E120 PolarHBondContact O-N 2.75Å; K118-E120 VanDerWaalsContact O-N 3.09Å
119P53.1Low61.9Low125 Ų125136.8 Ų136.881%0.81271%0.71SS**  trans-61.5115.8163.627.5-29.9000106.7D121P119-D121 PolarHBondContact O-N 3.36Å
120E46.1Very low59.9Low183 Ų183138.1 Ų138.186%0.85572%0.724SS**  trans-61.4133.7169.1-70.9-161.1157.500108.5K118 V122K118-E120 PolarHBondContact O-N 2.75Å; K118-E120 VanDerWaalsContact O-N 3.09Å; E120-V122 PolarHBondContact O-N 3.28Å
121D48.4Very low57.6Low148 Ų148148.8 Ų148.879%0.79177%0.765SS**  trans-44.1108.7176.2-96.3-46.8000110.8P119 T123P119-D121 PolarHBondContact O-N 3.36Å; D121-T123 PolarHBondContact O-N 2.9Å
122V49.8Very low56.2Low137 Ų137151.7 Ų151.783%0.8378%0.779SS**  trans-76.882.2156-177.40000105.9E120 P124E120-V122 PolarHBondContact O-N 3.28Å; V122-P124 VanDerWaalsContact O-CD 3.31Å; V122-P124 WeakPolarHBondContact O-CD 3.38Å
123T43.5Very low54.6Low110 Ų110155.8 Ų155.868%0.67580%0.797SS**PPolyproline II helixtrans-69117.4164.127.10000108.1D121 E125D121-T123 PolarHBondContact O-N 2.9Å; T123-E125 PolarHBondContact O-N 3.22Å
124P44.4Very low52.8Low114 Ų114157.7 Ų157.774%0.7481%0.81SS**PPolyproline II helixtrans-69.7121.8173.127-30.2000108.8V122 K126V122-P124 VanDerWaalsContact O-CD 3.31Å; V122-P124 WeakPolarHBondContact O-CD 3.38Å; P124-K126 PolarHBondContact O-N 3.49Å; P124-K126 VanDerWaalsContact O-N 3.17Å
125E41.7Very low51Low188 Ų188155.6 Ų155.688%0.87981%0.814SS**PPolyproline II helixtrans-51.8119.5169.3-78.4-176.1142.700109.6T123 V127T123-E125 PolarHBondContact O-N 3.22Å; E125-V127 PolarHBondContact O-N 3.49Å
126K45.8Very low49.2Very low206 Ų206155 Ų15590%0.89682%0.82SS**  trans-64.8112.8166.2-91.6-178.2173.7179.80108.5P124P124-K126 PolarHBondContact O-N 3.49Å; P124-K126 VanDerWaalsContact O-N 3.17Å
127V50.4Low47.7Very low128 Ų128159.3 Ų159.378%0.77683%0.833SS**PPolyproline II helixtrans-57.9130.9165-176.50000108.9E125 E129E125-V127 PolarHBondContact O-N 3.49Å; V127-E129 PolarHBondContact O-N 3.11Å
128P49.6Very low46.7Very low116 Ų116162.9 Ų162.975%0.75384%0.844SS**PPolyproline II helixtrans-76.6118.917328.5-30.1000110.3N130P128-N130 PolarHBondContact O-N 3.2Å
129E41.7Very low46Very low196 Ų196161.2 Ų161.292%0.91685%0.847SS**PPolyproline II helixtrans-75116.6166.7-86.6-177.9147.600109.9V127V127-E129 PolarHBondContact O-N 3.11Å
130N44.8Very low45.4Very low160 Ų160164.3 Ų164.386%0.85685%0.85SS**PPolyproline II helixtrans-88.3116.4160.3-98.4-18.1000108.7P128P128-N130 PolarHBondContact O-N 3.2Å
131K39Very low45.4Very low285 Ų285162.5 Ų162.5100%1.23985%0.85SS**  trans-168.60141.6-113.8177.6-176.5179.90112.3

Retrieved 131 of 131 residues in 815.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).