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Barrier-to-autointegration factor

Non-specific DNA-binding protein that plays key roles in mitotic nuclear reassembly, chromatin organization, DNA damage response, gene expression and intrinsic immunity against foreign DNA. Contains two non-specific double-stranded DNA (dsDNA)-binding sites which promote DNA cross-bridging. Plays a key role in nuclear membrane reformation at the end of mitosis by driving formation of a single nucleus in a spindle-independent manner. Transiently cross-bridges anaphase chromosomes via its ability to bridge distant DNA sites, leading to the formation of a dense chromatin network at the chromosome ensemble surface that limits membranes to the surface. Also acts as a negative regulator of innate immune activation by restricting CGAS activity toward self-DNA upon acute loss of nuclear membrane integrity. Outcompetes CGAS for DNA-binding, thereby preventing CGAS activation and subsequent damaging autoinflammatory responses. Also involved in DNA damage response: interacts with PARP1 in response to oxidative stress, thereby inhibiting the ADP-ribosyltransferase activity of PARP1. Involved in the recognition of exogenous dsDNA in the cytosol: associates with exogenous dsDNA immediately after its appearance in the cytosol at endosome breakdown and is required to avoid autophagy. In case of poxvirus infection, has an antiviral activity by blocking viral DNA replication.

AlphaFold DB , UniProt , Accession P61283, Species BOVIN (Bos taurus, Bovine), Gene BANF1, Length 89 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
1M49.1Very low88.1Confident249 Ų24984.3 Ų84.3100%1.22743%0.432SS*.  0128.80-75.8-175.6-11600107.4
2T65.8Low88.8Confident124 Ų12483.8 Ų83.876%0.76145%0.451SS*.PPolyproline II helixtrans-86.8133.6173.3-166.90000108.7R8T2-R8 PolarHBondContact OG1-NH1 3.26Å; T2-R8 VanDerWaalsContact OG1-NH1 3.15Å
3T83.5Confident89.5Confident56 Ų5685.1 Ų85.134%0.34445%0.452SS..PPolyproline II helixtrans-69.6168.9170.1520000109.8R8T3-R8 PolarHBondContact O-NH1 3.3Å; T3-R8 WeakPolarHBondContact OG1-CG 3.26Å
4S92.2Very high90.1Very high59 Ų5985.1 Ų85.141%0.41346%0.46SS..PPolyproline II helixtrans-68.3158.3172.969.30000111K6 H7 R8S4-K6 VanDerWaalsContact C-N 3.27Å; S4-K6 PolarHBondContact O-N 3.08Å; S4-H7 WeakPolarHBondContact O-CB 3.4Å; S4-H7 PolarHBondContact O-N 3.46Å; S4-H7 WeakPolarHBondContact OG-CB 3.42Å; S4-H7 PolarHBondContact OG-N 3.13Å; S4-H7 VanDerWaalsContact OG-N 3.07Å; S4-R8 PolarHBondContact O-N 2.85Å; S4-R8 VanDerWaalsContact O-N 3.14Å
5Q95.2Very high90.6Very high135 Ų13579.9 Ų79.963%0.63143%0.431SS*.Hα-helixtrans-55.7-46.8171.2176.4171.839.800110.8H7 R8 D9Q5-H7 VanDerWaalsContact C-N 3.26Å; Q5-H7 PolarHBondContact O-N 3.36Å; Q5-R8 WeakPolarHBondContact O-CB 3.19Å; Q5-R8 PolarHBondContact O-N 3.32Å; Q5-D9 WeakPolarHBondContact CG-OD2 3.46Å; Q5-D9 PolarHBondContact O-N 2.67Å
6K96.4Very high90.9Very high73 Ų7378.2 Ų78.232%0.31744%0.438SS..Hα-helixtrans-53.2-41176.2-172.2176.4-171.7-179.90113.7S4 F10 G21 S22 L23 I26S4-K6 VanDerWaalsContact C-N 3.27Å; S4-K6 PolarHBondContact O-N 3.08Å; K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 2.84Å; K6-G21 WeakPolarHBondContact CE-O 3.48Å; K6-G21 PolarHBondContact NZ-O 3.4Å; K6-S22 WeakPolarHBondContact CE-O 3.36Å; K6-S22 WeakPolarHBondContact CG-O 3.48Å; K6-L23 WeakPolarHBondContact CE-O 3.34Å; K6-L23 PolarHBondContact NZ-O 3.04Å; K6-I26 PolarHBondContact NZ-O 3.06Å
7H98Very high91.3Very high13 Ų1381.9 Ų81.96%0.0645%0.451CS..Hα-helixtrans-62.4-52.9174.7-174.9129.9000110.7S4 Q5 D9 F10 V11 A24 C80 E83S4-H7 WeakPolarHBondContact O-CB 3.4Å; S4-H7 PolarHBondContact O-N 3.46Å; S4-H7 WeakPolarHBondContact OG-CB 3.42Å; S4-H7 PolarHBondContact OG-N 3.13Å; S4-H7 VanDerWaalsContact OG-N 3.07Å; Q5-H7 VanDerWaalsContact C-N 3.26Å; Q5-H7 PolarHBondContact O-N 3.36Å; H7-D9 VanDerWaalsContact C-N 3.32Å; H7-D9 PolarHBondContact O-N 2.9Å; H7-F10 PolarHBondContact O-N 3Å; H7-F10 VanDerWaalsContact O-N 3.16Å; H7-V11 WeakPolarHBondContact O-CG1 2.98Å; H7-V11 WeakPolarHBondContact O-CG2 3.39Å; H7-V11 PolarHBondContact O-N 2.89Å; H7-A24 HydrophobicContact CB-CB 3.78Å; H7-C80 VanDerWaalsContact CE1-CA 3.48Å; H7-C80 WeakPolarHBondContact CE1-CA 3.41Å; H7-C80 PolarHBondContact CE1-N 3.43Å; H7-E83 IonicContact CD2-OE2 3.68Å; H7-E83 IonicContact CE1-OE2 3.56Å; H7-E83 IonicContact NE2-OE2 3.44Å; H7-E83 PolarHBondContact NE2-OE2 2.88Å
8R97.1Very high91.7Very high108 Ų10879.4 Ų79.441%0.40844%0.435SS..Hα-helixtrans-57.1-45.9179.8-70.1-170.1-68.5-84.70.6111.9T2 T3 S4 Q5 F10 V11 A12T2-R8 PolarHBondContact OG1-NH1 3.26Å; T2-R8 VanDerWaalsContact OG1-NH1 3.15Å; T3-R8 PolarHBondContact O-NH1 3.3Å; T3-R8 WeakPolarHBondContact OG1-CG 3.26Å; S4-R8 PolarHBondContact O-N 2.85Å; S4-R8 VanDerWaalsContact O-N 3.14Å; Q5-R8 WeakPolarHBondContact O-CB 3.19Å; Q5-R8 PolarHBondContact O-N 3.32Å; R8-F10 VanDerWaalsContact C-N 3.28Å; R8-F10 PolarHBondContact O-N 3.13Å; R8-V11 PolarHBondContact O-N 3Å; R8-A12 VanDerWaalsContact O-CB 3.26Å; R8-A12 WeakPolarHBondContact O-CB 3.16Å; R8-A12 PolarHBondContact O-N 2.94Å
9D96.3Very high92.1Very high88 Ų8878.7 Ų78.747%0.47143%0.434SS..Hα-helixtrans-64.9-35.3-179.5-59.7-12000111.3Q5 H7Q5-D9 WeakPolarHBondContact CG-OD2 3.46Å; Q5-D9 PolarHBondContact O-N 2.67Å; H7-D9 VanDerWaalsContact C-N 3.32Å; H7-D9 PolarHBondContact O-N 2.9Å
10F97.8Very high92.4Very high4 Ų474.8 Ų74.82%0.01841%0.413CS..Hα-helixtrans-70.1-44.8178-169.8-87.3000112.4K6 H7 R8 M15 K18 L23 A42 C80 W84K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 2.84Å; H7-F10 PolarHBondContact O-N 3Å; H7-F10 VanDerWaalsContact O-N 3.16Å; R8-F10 VanDerWaalsContact C-N 3.28Å; R8-F10 PolarHBondContact O-N 3.13Å; F10-M15 HydrophobicContact CE1-CE 3.64Å; F10-M15 HydrophobicContact CE2-CG 4.33Å; F10-M15 HydrophobicContact CZ-CB 4.48Å; F10-M15 HydrophobicContact CZ-CE 3.45Å; F10-M15 VanDerWaalsContact CZ-CE 3.45Å; F10-M15 HydrophobicContact CZ-CG 3.71Å; F10-M15 HydrophobicContact CZ-SD 4.05Å; F10-K18 HydrophobicContact CD2-CD 3.99Å; F10-K18 HydrophobicContact CE2-CB 4.45Å; F10-K18 HydrophobicContact CE2-CD 3.92Å; F10-L23 HydrophobicContact CD1-CD2 4.29Å; F10-L23 HydrophobicContact CD2-CD2 4.36Å; F10-L23 HydrophobicContact CE1-CD2 3.66Å; F10-L23 HydrophobicContact CE2-CD2 3.74Å; F10-L23 HydrophobicContact CE2-CG 4.25Å; F10-L23 HydrophobicContact CZ-CD2 3.34Å; F10-L23 HydrophobicContact CZ-CG 4.27Å; F10-A42 HydrophobicContact CE2-CB 3.84Å; F10-A42 HydrophobicContact CZ-CB 3.85Å; F10-C80 WeakPolarHBondContact CD1-SG 3.44Å; F10-W84 HydrophobicContact CD1-CB 4.44Å; F10-W84 HydrophobicContact CD1-CG 4.43Å; F10-W84 HydrophobicContact CE1-CB 4.21Å; F10-W84 AromaticContact CE1-CD1 3.84Å; F10-W84 AromaticContact CE1-CG 3.99Å; F10-W84 HydrophobicContact CE1-CG 3.99Å
11V97.3Very high92.7Very high18 Ų1872.6 Ų72.611%0.10941%0.407CS..Hα-helixtrans-83.4-8.1-175.4-54.10000113.8H7 R8 E13 E83 W84 F88H7-V11 WeakPolarHBondContact O-CG1 2.98Å; H7-V11 WeakPolarHBondContact O-CG2 3.39Å; H7-V11 PolarHBondContact O-N 2.89Å; R8-V11 PolarHBondContact O-N 3Å; V11-E13 VanDerWaalsContact C-N 3.29Å; V11-E13 PolarHBondContact O-N 3.26Å; V11-E83 HydrophobicContact CB-CG 4.24Å; V11-E83 HydrophobicContact CG1-CB 4.14Å; V11-E83 HydrophobicContact CG1-CG 4.16Å; V11-E83 HydrophobicContact CG2-CG 4.35Å; V11-E83 WeakPolarHBondContact CG2-OE1 3.23Å; V11-W84 HydrophobicContact CG1-CB 4.27Å; V11-F88 WeakPolarHBondContact O-CE2 3.25Å
12A97.2Very high95Very high79 Ų7962.3 Ų62.365%0.65336%0.36SS*.THydrogen-bonded Turntrans-76.2-13.8-179.900000114.1R8R8-A12 VanDerWaalsContact O-CB 3.26Å; R8-A12 WeakPolarHBondContact O-CB 3.16Å; R8-A12 PolarHBondContact O-N 2.94Å
13E97.4Very high96.5Very high100 Ų10056.4 Ų56.447%0.46732%0.324SS..SBendtrans-148.3162.1-174.564.5-179.4-174.900112.4V11 K18 W84 F88V11-E13 VanDerWaalsContact C-N 3.29Å; V11-E13 PolarHBondContact O-N 3.26Å; E13-K18 WeakPolarHBondContact OE1-CE 3.33Å; E13-K18 IonicContact OE1-NZ 2.67Å; E13-K18 PolarHBondContact OE1-NZ 3.21Å; E13-W84 PolarHBondContact O-NE1 3.25Å; E13-W84 VanDerWaalsContact O-NE1 3.08Å; E13-F88 VanDerWaalsContact C-CE2 3.47Å; E13-F88 WeakPolarHBondContact O-CE2 3.5Å
14P97.7Very high97.2Very high86 Ų8653.7 Ų53.756%0.55831%0.307SS*.  trans-53.4144.2172-26.535.6000112.5G16 F88P14-G16 VanDerWaalsContact C-N 3.34Å; P14-G16 PolarHBondContact O-N 3.11Å; P14-F88 HydrophobicContact CG-CD1 3.98Å; P14-F88 HydrophobicContact CG-CE1 3.82Å; P14-F88 HydrophobicContact CG-CZ 4.49Å
15M97.4Very high97.5Very high7 Ų751.8 Ų51.83%0.03430%0.296CS..  trans-63.4-34.4-171.2-173.9173.6-65.400114.2F10 K18 A42 Y43 L46 L81 W84F10-M15 HydrophobicContact CE1-CE 3.64Å; F10-M15 HydrophobicContact CE2-CG 4.33Å; F10-M15 HydrophobicContact CZ-CB 4.48Å; F10-M15 HydrophobicContact CZ-CE 3.45Å; F10-M15 VanDerWaalsContact CZ-CE 3.45Å; F10-M15 HydrophobicContact CZ-CG 3.71Å; F10-M15 HydrophobicContact CZ-SD 4.05Å; M15-K18 WeakPolarHBondContact O-CB 3.43Å; M15-K18 WeakPolarHBondContact O-CD 3.37Å; M15-K18 WeakPolarHBondContact O-CG 3.32Å; M15-K18 PolarHBondContact O-N 3.22Å; M15-A42 HydrophobicContact CG-CB 3.84Å; M15-A42 HydrophobicContact SD-CB 3.69Å; M15-Y43 WeakPolarHBondContact SD-CA 3.47Å; M15-Y43 PolarHBondContact SD-N 3.44Å; M15-L46 HydrophobicContact CE-CB 4.03Å; M15-L46 HydrophobicContact CE-CD1 4.39Å; M15-L46 HydrophobicContact CE-CD2 4.01Å; M15-L46 HydrophobicContact CE-CG 4.35Å; M15-L46 HydrophobicContact SD-CB 4.11Å; M15-L46 HydrophobicContact SD-CD2 4.2Å; M15-L81 HydrophobicContact CE-CD2 3.93Å; M15-W84 HydrophobicContact CB-CD2 4.47Å; M15-W84 HydrophobicContact CB-CH2 4.25Å; M15-W84 HydrophobicContact CB-CZ2 3.53Å; M15-W84 HydrophobicContact CE-CD2 3.77Å; M15-W84 HydrophobicContact CE-CE3 3.85Å; M15-W84 HydrophobicContact CE-CG 4.21Å; M15-W84 HydrophobicContact CE-CZ3 4.27Å
16G96.5Very high97.7Very high52 Ų5245.4 Ų45.454%0.53627%0.267SS..THydrogen-bonded Turntrans50.2-141.3-176.600000112.9P14P14-G16 VanDerWaalsContact C-N 3.34Å; P14-G16 PolarHBondContact O-N 3.11Å
17E97.9Very high97.7Very high142 Ų14243.5 Ų43.566%0.66427%0.268SS*.THydrogen-bonded Turntrans-99.628178.4-58.8-164.612700113.4K41E17-K41 PolarHBondContact O-NZ 3.48Å; E17-K41 VanDerWaalsContact O-NZ 3.13Å
18K98.4Very high97.7Very high37 Ų3749.5 Ų49.516%0.16130%0.296CS..  trans-53136178.3-75.2176-174.5-177.50110.4F10 E13 M15 A42F10-K18 HydrophobicContact CD2-CD 3.99Å; F10-K18 HydrophobicContact CE2-CB 4.45Å; F10-K18 HydrophobicContact CE2-CD 3.92Å; E13-K18 WeakPolarHBondContact OE1-CE 3.33Å; E13-K18 IonicContact OE1-NZ 2.67Å; E13-K18 PolarHBondContact OE1-NZ 3.21Å; M15-K18 WeakPolarHBondContact O-CB 3.43Å; M15-K18 WeakPolarHBondContact O-CD 3.37Å; M15-K18 WeakPolarHBondContact O-CG 3.32Å; M15-K18 PolarHBondContact O-N 3.22Å; K18-A42 HydrophobicContact CB-CB 4.44Å; K18-A42 PolarHBondContact O-N 3.43Å
19P98.3Very high97.7Very high65 Ų6549.1 Ų49.142%0.42231%0.305SS..BIsolated β-bridgetrans-63.6153.8175.427.3-33.9000110.3G21 S22P19-G21 PolarHBondContact O-N 2.87Å; P19-G21 VanDerWaalsContact O-N 3.13Å; P19-S22 WeakPolarHBondContact CD-OG 3.49Å; P19-S22 WeakPolarHBondContact CG-OG 3.46Å; P19-S22 VanDerWaalsContact O-CB 3.23Å; P19-S22 WeakPolarHBondContact O-CB 3.38Å; P19-S22 PolarHBondContact O-N 3.02Å; P19-S22 PolarHBondContact O-OG 3.16Å
20V98.6Very high97.8Very high0 Ų045.4 Ų45.40%029%0.285CS..G310 helixtrans-55.9-33-178.969.40000112.6S22 L23 L34 E35 F39 D40 V45V20-S22 PolarHBondContact O-N 3.4Å; V20-L23 HydrophobicContact CG2-CD1 4.15Å; V20-L23 WeakPolarHBondContact O-CB 3.49Å; V20-L23 PolarHBondContact O-N 3.02Å; V20-L23 VanDerWaalsContact O-N 3.1Å; V20-L34 HydrophobicContact CG1-CB 4.2Å; V20-L34 HydrophobicContact CG2-CB 4.16Å; V20-L34 HydrophobicContact CG2-CD1 3.61Å; V20-L34 HydrophobicContact CG2-CG 4.47Å; V20-E35 HydrophobicContact CG1-CG 4.07Å; V20-F39 WeakPolarHBondContact CB-O 3.41Å; V20-F39 VanDerWaalsContact CG1-O 3.24Å; V20-F39 WeakPolarHBondContact CG1-O 3.27Å; V20-F39 WeakPolarHBondContact CG2-O 3.46Å; V20-D40 PolarHBondContact N-O 2.63Å; V20-V45 HydrophobicContact CG2-CG2 3.52Å
21G98Very high97.8Very high29 Ų2945.3 Ų45.330%0.29929%0.285SS..G310 helixtrans-63.9-1.5173.500000114.6K6 P19K6-G21 WeakPolarHBondContact CE-O 3.48Å; K6-G21 PolarHBondContact NZ-O 3.4Å; P19-G21 PolarHBondContact O-N 2.87Å; P19-G21 VanDerWaalsContact O-N 3.13Å
22S98Very high97.9Very high33 Ų3349.3 Ų49.323%0.23130%0.302CS..G310 helixtrans-84.7-19.5172.3-49.10000112.8K6 P19 V20K6-S22 WeakPolarHBondContact CE-O 3.36Å; K6-S22 WeakPolarHBondContact CG-O 3.48Å; P19-S22 WeakPolarHBondContact CD-OG 3.49Å; P19-S22 WeakPolarHBondContact CG-OG 3.46Å; P19-S22 VanDerWaalsContact O-CB 3.23Å; P19-S22 WeakPolarHBondContact O-CB 3.38Å; P19-S22 PolarHBondContact O-N 3.02Å; P19-S22 PolarHBondContact O-OG 3.16Å; V20-S22 PolarHBondContact O-N 3.4Å
23L98.4Very high98Very high0 Ų049.2 Ų49.20%029%0.286CS..SBendtrans-65.5138.8178.8-69.8167.6000111K6 F10 V20 I26 A42 V45 L81K6-L23 WeakPolarHBondContact CE-O 3.34Å; K6-L23 PolarHBondContact NZ-O 3.04Å; F10-L23 HydrophobicContact CD1-CD2 4.29Å; F10-L23 HydrophobicContact CD2-CD2 4.36Å; F10-L23 HydrophobicContact CE1-CD2 3.66Å; F10-L23 HydrophobicContact CE2-CD2 3.74Å; F10-L23 HydrophobicContact CE2-CG 4.25Å; F10-L23 HydrophobicContact CZ-CD2 3.34Å; F10-L23 HydrophobicContact CZ-CG 4.27Å; V20-L23 HydrophobicContact CG2-CD1 4.15Å; V20-L23 WeakPolarHBondContact O-CB 3.49Å; V20-L23 PolarHBondContact O-N 3.02Å; V20-L23 VanDerWaalsContact O-N 3.1Å; L23-I26 HydrophobicContact CB-CB 4.16Å; L23-I26 HydrophobicContact CB-CG1 3.72Å; L23-I26 HydrophobicContact CD1-CG1 4.42Å; L23-I26 PolarHBondContact O-N 3.4Å; L23-A42 HydrophobicContact CD1-CB 4.33Å; L23-A42 HydrophobicContact CD2-CB 4.32Å; L23-A42 HydrophobicContact CG-CB 4.12Å; L23-V45 HydrophobicContact CD1-CB 3.94Å; L23-V45 HydrophobicContact CD1-CG1 3.95Å; L23-V45 HydrophobicContact CD1-CG2 4.26Å; L23-L81 HydrophobicContact CD2-CD2 3.58Å; L23-L81 HydrophobicContact CD2-CG 4.03Å
24A98.2Very high98Very high0 Ų044.5 Ų44.50%026%0.264CS..THydrogen-bonded Turntrans-59.5145.9170.500000109.8H7 I26 C77 C80H7-A24 HydrophobicContact CB-CB 3.78Å; A24-I26 PolarHBondContact O-N 3.14Å; A24-I26 VanDerWaalsContact O-N 3.15Å; A24-C77 WeakPolarHBondContact O-CA 3.47Å; A24-C77 VanDerWaalsContact O-CB 3.27Å; A24-C77 WeakPolarHBondContact O-CB 3.39Å; A24-C77 PolarHBondContact O-N 3.05Å; A24-C80 HydrophobicContact CB-CB 3.67Å
25G97.9Very high98.1Very high18 Ų1844.6 Ų44.619%0.18626%0.257CS..THydrogen-bonded Turntrans78.3-18.9-174.700000115.2Q73G25-Q73 WeakPolarHBondContact O-CB 3.44Å; G25-Q73 WeakPolarHBondContact O-CG 3.43Å
26I98.3Very high98.1Very high1 Ų151.5 Ų51.51%0.00529%0.289CS..  trans-96.499.7177.8-52.7-53.5000110.2K6 L23 A24 L30 L34 L63 C77K6-I26 PolarHBondContact NZ-O 3.06Å; L23-I26 HydrophobicContact CB-CB 4.16Å; L23-I26 HydrophobicContact CB-CG1 3.72Å; L23-I26 HydrophobicContact CD1-CG1 4.42Å; L23-I26 PolarHBondContact O-N 3.4Å; A24-I26 PolarHBondContact O-N 3.14Å; A24-I26 VanDerWaalsContact O-N 3.15Å; I26-L30 HydrophobicContact CD1-CD1 4.41Å; I26-L30 HydrophobicContact CG2-CB 4.1Å; I26-L34 HydrophobicContact CD1-CD1 4.03Å; I26-L34 HydrophobicContact CG1-CD1 4.39Å; I26-L34 HydrophobicContact CG2-CD1 3.94Å; I26-L63 HydrophobicContact CD1-CD1 4.14Å; I26-L63 HydrophobicContact CD1-CD2 4.01Å; I26-C77 HydrophobicContact CD1-CB 4.24Å; I26-C77 HydrophobicContact CG1-CB 4.44Å
27G96.6Very high98.2Very high33 Ų3355.1 Ų55.134%0.3429%0.287SS..  trans-83.4177.7171.200000112.6V29 L30 G31G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 2.7Å; G27-L30 PolarHBondContact O-N 2.84Å; G27-L30 VanDerWaalsContact O-N 3.13Å; G27-G31 PolarHBondContact O-N 3.33Å
28E97.6Very high98.2Very high139 Ų13950.6 Ų50.665%0.6528%0.278SS*.Hα-helixtrans-51.6-46.7-178-172.4-172.2161.900113.3L30 G31 K32E28-L30 PolarHBondContact O-N 2.92Å; E28-G31 PolarHBondContact O-N 2.86Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 WeakPolarHBondContact OE1-CE 3.47Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å
29V98.2Very high98.2Very high100 Ų10050.4 Ų50.461%0.60628%0.278SS*.Hα-helixtrans-64.7-41.2-178.6179.30000111.8G27 K33G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 2.7Å; V29-K33 WeakPolarHBondContact O-CG 3.42Å; V29-K33 PolarHBondContact O-N 3.13Å
30L98.5Very high98.2Very high10 Ų1050.8 Ų50.85%0.05228%0.276CS..Hα-helixtrans-72.2-37.6177.3-63.3-171.6000111.2I26 G27 E28 K33 L34 C67 A69 Q73I26-L30 HydrophobicContact CD1-CD1 4.41Å; I26-L30 HydrophobicContact CG2-CB 4.1Å; G27-L30 PolarHBondContact O-N 2.84Å; G27-L30 VanDerWaalsContact O-N 3.13Å; E28-L30 PolarHBondContact O-N 2.92Å; L30-K33 PolarHBondContact O-N 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.2Å; L30-L34 PolarHBondContact O-N 2.91Å; L30-C67 HydrophobicContact CD2-CB 4.29Å; L30-C67 WeakPolarHBondContact CD2-O 3.23Å; L30-A69 HydrophobicContact CD1-CB 3.91Å; L30-Q73 HydrophobicContact CD1-CB 4.13Å; L30-Q73 HydrophobicContact CD1-CG 4.21Å
31G98.6Very high98.2Very high2 Ų253.3 Ų53.32%0.02129%0.287CS..Hα-helixtrans-58.1-49.5175.600000111.8G27 E28 K33 L34 E35G27-G31 PolarHBondContact O-N 3.33Å; E28-G31 PolarHBondContact O-N 2.86Å; G31-K33 VanDerWaalsContact C-N 3.35Å; G31-K33 PolarHBondContact O-N 2.96Å; G31-L34 WeakPolarHBondContact O-CB 3.34Å; G31-L34 PolarHBondContact O-N 3.1Å; G31-L34 VanDerWaalsContact O-N 3.1Å; G31-E35 WeakPolarHBondContact O-CG 3.12Å; G31-E35 PolarHBondContact O-N 3.48Å
32K98.5Very high98.2Very high103 Ų10352 Ų5245%0.44827%0.273SS..Hα-helixtrans-58.4-44176.1-71.9179.7-174.7169.90112.5E28 L34 E35 E36E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 WeakPolarHBondContact OE1-CE 3.47Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.87Å; K32-E35 PolarHBondContact O-N 3.14Å; K32-E36 WeakPolarHBondContact O-CB 3.02Å; K32-E36 VanDerWaalsContact O-CG 3.27Å; K32-E36 WeakPolarHBondContact O-CG 3.29Å; K32-E36 PolarHBondContact O-N 3.41Å
33K98.6Very high98.2Very high77 Ų7755.5 Ų55.534%0.33528%0.282SS..Hα-helixtrans-65.3-31.1177.4-71.7177.6-178.4-175.30113.4V29 L30 G31 R37 C67V29-K33 WeakPolarHBondContact O-CG 3.42Å; V29-K33 PolarHBondContact O-N 3.13Å; L30-K33 PolarHBondContact O-N 3.23Å; G31-K33 VanDerWaalsContact C-N 3.35Å; G31-K33 PolarHBondContact O-N 2.96Å; K33-R37 WeakPolarHBondContact O-CG 3.47Å; K33-R37 PolarHBondContact O-NH1 3.34Å; K33-C67 HydrophobicContact CB-CB 3.82Å; K33-C67 HydrophobicContact CD-CB 4.37Å; K33-C67 WeakPolarHBondContact CD-O 3.38Å; K33-C67 PolarHBondContact NZ-O 3.07Å
34L98.7Very high98.2Very high0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-73.9-46.1174.8-77.1168.9000110.3V20 I26 L30 G31 K32 E36 R37 G38 F39 W62 L63 T66 C67V20-L34 HydrophobicContact CG1-CB 4.2Å; V20-L34 HydrophobicContact CG2-CB 4.16Å; V20-L34 HydrophobicContact CG2-CD1 3.61Å; V20-L34 HydrophobicContact CG2-CG 4.47Å; I26-L34 HydrophobicContact CD1-CD1 4.03Å; I26-L34 HydrophobicContact CG1-CD1 4.39Å; I26-L34 HydrophobicContact CG2-CD1 3.94Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.2Å; L30-L34 PolarHBondContact O-N 2.91Å; G31-L34 WeakPolarHBondContact O-CB 3.34Å; G31-L34 PolarHBondContact O-N 3.1Å; G31-L34 VanDerWaalsContact O-N 3.1Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.87Å; L34-E36 VanDerWaalsContact C-N 3.35Å; L34-E36 PolarHBondContact O-N 3.31Å; L34-R37 CarbonylContact O-C 3.59Å; L34-R37 WeakPolarHBondContact O-CA 3.31Å; L34-R37 PolarHBondContact O-N 3.47Å; L34-G38 PolarHBondContact O-N 3.19Å; L34-F39 HydrophobicContact CB-CB 3.91Å; L34-F39 HydrophobicContact CD2-CB 4.04Å; L34-F39 HydrophobicContact CD2-CD2 4.38Å; L34-F39 HydrophobicContact CD2-CG 4.31Å; L34-F39 WeakPolarHBondContact O-CA 3.42Å; L34-F39 WeakPolarHBondContact O-CB 3.5Å; L34-F39 PolarHBondContact O-N 3.18Å; L34-W62 HydrophobicContact CD2-CH2 4.32Å; L34-L63 HydrophobicContact CD1-CD1 4.36Å; L34-L63 HydrophobicContact CD2-CD1 4.32Å; L34-T66 HydrophobicContact CD2-CG2 3.76Å; L34-C67 HydrophobicContact CD2-CB 4.15Å; L34-C67 HydrophobicContact CG-CB 3.92Å
35E98.3Very high98.3Very high89 Ų8957.5 Ų57.542%0.41629%0.294SS..Hα-helixtrans-55.1-47173.6-75.5165.6-166.600111.7V20 G31 K32 R37 G38 D40V20-E35 HydrophobicContact CG1-CG 4.07Å; G31-E35 WeakPolarHBondContact O-CG 3.12Å; G31-E35 PolarHBondContact O-N 3.48Å; K32-E35 PolarHBondContact O-N 3.14Å; E35-R37 PolarHBondContact O-N 3.36Å; E35-G38 PolarHBondContact O-N 2.93Å; E35-D40 HydrophobicContact CB-CB 4.49Å; E35-D40 HydrophobicContact CG-CB 3.92Å
36E98.2Very high98.3Very high151 Ų15157.5 Ų57.571%0.70629%0.29SS*.THydrogen-bonded Turntrans-57.9-21.3175.2-75.8169.5-177.800113.6K32 L34K32-E36 WeakPolarHBondContact O-CB 3.02Å; K32-E36 VanDerWaalsContact O-CG 3.27Å; K32-E36 WeakPolarHBondContact O-CG 3.29Å; K32-E36 PolarHBondContact O-N 3.41Å; L34-E36 VanDerWaalsContact C-N 3.35Å; L34-E36 PolarHBondContact O-N 3.31Å
37R97.9Very high98.3Very high128 Ų12859.1 Ų59.148%0.48331%0.306SS..THydrogen-bonded Turntrans-103.28.5177.9-69.6178176.874.2-4.8113.2K33 L34 E35 F39 T66K33-R37 WeakPolarHBondContact O-CG 3.47Å; K33-R37 PolarHBondContact O-NH1 3.34Å; L34-R37 CarbonylContact O-C 3.59Å; L34-R37 WeakPolarHBondContact O-CA 3.31Å; L34-R37 PolarHBondContact O-N 3.47Å; E35-R37 PolarHBondContact O-N 3.36Å; R37-F39 HydrophobicContact CB-CD2 3.97Å; R37-F39 HydrophobicContact CB-CE2 4.35Å; R37-T66 VanDerWaalsContact CD-CG2 3.48Å; R37-T66 VanDerWaalsContact CD-O 3.22Å; R37-T66 WeakPolarHBondContact CD-O 3.48Å; R37-T66 PolarHBondContact NE-O 3.1Å; R37-T66 PolarHBondContact NH1-O 3.15Å; R37-T66 VanDerWaalsContact NH1-O 3.14Å; R37-T66 PolarHBondContact NH2-O 2.64Å
38G98.1Very high98.4Very high47 Ų4759.6 Ų59.649%0.48530%0.3SS..THydrogen-bonded Turntrans8511.3179.700000114.9L34 E35L34-G38 PolarHBondContact O-N 3.19Å; E35-G38 PolarHBondContact O-N 2.93Å
39F98.6Very high98.5Very high34 Ų3453 Ų5315%0.14927%0.269CS..  trans-100.558.4174.5-63.7-86.5000110.3V20 L34 R37 V44 V45 Q48 W62 T66V20-F39 WeakPolarHBondContact CB-O 3.41Å; V20-F39 VanDerWaalsContact CG1-O 3.24Å; V20-F39 WeakPolarHBondContact CG1-O 3.27Å; V20-F39 WeakPolarHBondContact CG2-O 3.46Å; L34-F39 HydrophobicContact CB-CB 3.91Å; L34-F39 HydrophobicContact CD2-CB 4.04Å; L34-F39 HydrophobicContact CD2-CD2 4.38Å; L34-F39 HydrophobicContact CD2-CG 4.31Å; L34-F39 WeakPolarHBondContact O-CA 3.42Å; L34-F39 WeakPolarHBondContact O-CB 3.5Å; L34-F39 PolarHBondContact O-N 3.18Å; R37-F39 HydrophobicContact CB-CD2 3.97Å; R37-F39 HydrophobicContact CB-CE2 4.35Å; F39-V44 HydrophobicContact CD1-CB 4.2Å; F39-V44 HydrophobicContact CD1-CG1 3.55Å; F39-V44 HydrophobicContact CE1-CG1 3.96Å; F39-V44 HydrophobicContact CG-CG1 4.29Å; F39-V45 HydrophobicContact CB-CG2 3.94Å; F39-V45 HydrophobicContact CD1-CG2 4Å; F39-V45 HydrophobicContact CG-CG2 4.35Å; F39-Q48 HydrophobicContact CE1-CB 3.99Å; F39-Q48 HydrophobicContact CE1-CG 4.47Å; F39-W62 HydrophobicContact CD1-CH2 4.27Å; F39-W62 HydrophobicContact CD1-CZ2 4.16Å; F39-W62 HydrophobicContact CD2-CZ2 4.38Å; F39-W62 HydrophobicContact CE1-CH2 4.18Å; F39-W62 AromaticContact CE1-CZ2 3.72Å; F39-W62 HydrophobicContact CE1-CZ2 3.72Å; F39-W62 AromaticContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CG-CZ2 4.49Å; F39-W62 HydrophobicContact CZ-CH2 4.49Å; F39-W62 AromaticContact CZ-CZ2 3.62Å; F39-W62 HydrophobicContact CZ-CZ2 3.62Å; F39-T66 HydrophobicContact CD2-CG2 4.37Å; F39-T66 HydrophobicContact CE2-CG2 4.31Å
40D98.1Very high98.5Very high72 Ų7251.5 Ų51.539%0.38526%0.257SS..  trans-79.8-28.9-175.668.9-40.4000113.5V20 E35V20-D40 PolarHBondContact N-O 2.63Å; E35-D40 HydrophobicContact CB-CB 4.49Å; E35-D40 HydrophobicContact CG-CB 3.92Å
41K98.7Very high98.5Very high54 Ų5456 Ų5624%0.23529%0.285CS..BIsolated β-bridgetrans-107.5149.5177.3-54.5-59.8-166162.40112.4E17 Y43 V44E17-K41 PolarHBondContact O-NZ 3.48Å; E17-K41 VanDerWaalsContact O-NZ 3.13Å; K41-Y43 HydrophobicContact CB-CD1 3.61Å; K41-Y43 HydrophobicContact CB-CD2 4.45Å; K41-Y43 HydrophobicContact CB-CE1 3.31Å; K41-Y43 HydrophobicContact CB-CE2 4.18Å; K41-Y43 HydrophobicContact CB-CG 4.17Å; K41-Y43 HydrophobicContact CD-CE1 4.46Å; K41-Y43 HydrophobicContact CG-CD1 4.3Å; K41-Y43 HydrophobicContact CG-CE1 3.51Å; K41-Y43 PolarHBondContact O-N 2.96Å; K41-V44 HydrophobicContact CB-CG2 4.12Å; K41-V44 WeakPolarHBondContact O-CB 3.42Å; K41-V44 PolarHBondContact O-N 2.9Å
42A98.7Very high98.5Very high0 Ų057.5 Ų57.50%029%0.292CS..Hα-helixtrans-58.9-35.2177.400000112.3F10 M15 K18 L23 V44 V45 L46F10-A42 HydrophobicContact CE2-CB 3.84Å; F10-A42 HydrophobicContact CZ-CB 3.85Å; M15-A42 HydrophobicContact CG-CB 3.84Å; M15-A42 HydrophobicContact SD-CB 3.69Å; K18-A42 HydrophobicContact CB-CB 4.44Å; K18-A42 PolarHBondContact O-N 3.43Å; L23-A42 HydrophobicContact CD1-CB 4.33Å; L23-A42 HydrophobicContact CD2-CB 4.32Å; L23-A42 HydrophobicContact CG-CB 4.12Å; A42-V44 VanDerWaalsContact C-N 3.26Å; A42-V44 PolarHBondContact O-N 3.3Å; A42-V45 PolarHBondContact O-N 2.96Å; A42-L46 PolarHBondContact O-N 2.99Å
43Y98.5Very high98.5Very high108 Ų10861.3 Ų61.342%0.42431%0.309SS..Hα-helixtrans-68.2-24.2178.866.7-107.9000113.1M15 K41 L46 G47M15-Y43 WeakPolarHBondContact SD-CA 3.47Å; M15-Y43 PolarHBondContact SD-N 3.44Å; K41-Y43 HydrophobicContact CB-CD1 3.61Å; K41-Y43 HydrophobicContact CB-CD2 4.45Å; K41-Y43 HydrophobicContact CB-CE1 3.31Å; K41-Y43 HydrophobicContact CB-CE2 4.18Å; K41-Y43 HydrophobicContact CB-CG 4.17Å; K41-Y43 HydrophobicContact CD-CE1 4.46Å; K41-Y43 HydrophobicContact CG-CD1 4.3Å; K41-Y43 HydrophobicContact CG-CE1 3.51Å; K41-Y43 PolarHBondContact O-N 2.96Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.49Å; Y43-G47 PolarHBondContact O-N 2.69Å
44V98.6Very high98.5Very high41 Ų4161.3 Ų61.325%0.24831%0.309CS..Hα-helixtrans-70.8-41.6175.6-172.10000109.5F39 K41 A42 G47 Q48F39-V44 HydrophobicContact CD1-CB 4.2Å; F39-V44 HydrophobicContact CD1-CG1 3.55Å; F39-V44 HydrophobicContact CE1-CG1 3.96Å; F39-V44 HydrophobicContact CG-CG1 4.29Å; K41-V44 HydrophobicContact CB-CG2 4.12Å; K41-V44 WeakPolarHBondContact O-CB 3.42Å; K41-V44 PolarHBondContact O-N 2.9Å; A42-V44 VanDerWaalsContact C-N 3.26Å; A42-V44 PolarHBondContact O-N 3.3Å; V44-G47 PolarHBondContact O-N 3Å; V44-Q48 PolarHBondContact O-N 3.32Å; V44-Q48 VanDerWaalsContact O-N 3.13Å
45V98.8Very high98.5Very high0 Ų064.6 Ų64.60%033%0.326CS..Hα-helixtrans-66.5-37.9172.6-179.20000111.2V20 L23 F39 A42 G47 Q48 F49 F59 W62 L81V20-V45 HydrophobicContact CG2-CG2 3.52Å; L23-V45 HydrophobicContact CD1-CB 3.94Å; L23-V45 HydrophobicContact CD1-CG1 3.95Å; L23-V45 HydrophobicContact CD1-CG2 4.26Å; F39-V45 HydrophobicContact CB-CG2 3.94Å; F39-V45 HydrophobicContact CD1-CG2 4Å; F39-V45 HydrophobicContact CG-CG2 4.35Å; A42-V45 PolarHBondContact O-N 2.96Å; V45-G47 VanDerWaalsContact C-N 3.33Å; V45-G47 PolarHBondContact O-N 2.71Å; V45-Q48 PolarHBondContact O-N 2.9Å; V45-F49 WeakPolarHBondContact O-CB 3.44Å; V45-F49 PolarHBondContact O-N 3.37Å; V45-F59 HydrophobicContact CG1-CE2 4.09Å; V45-F59 HydrophobicContact CG1-CZ 4.05Å; V45-W62 HydrophobicContact CG1-CH2 4.09Å; V45-W62 HydrophobicContact CG1-CZ3 4.04Å; V45-W62 HydrophobicContact CG2-CH2 4.48Å; V45-L81 HydrophobicContact CG1-CD1 3.99Å
46L98.7Very high98.5Very high19 Ų1963.4 Ų63.410%0.09932%0.321CS..Hα-helixtrans-58.4-45170.8178.170.2000111.1M15 A42 Y43 Q48 F49 L50 L81 W84M15-L46 HydrophobicContact CE-CB 4.03Å; M15-L46 HydrophobicContact CE-CD1 4.39Å; M15-L46 HydrophobicContact CE-CD2 4.01Å; M15-L46 HydrophobicContact CE-CG 4.35Å; M15-L46 HydrophobicContact SD-CB 4.11Å; M15-L46 HydrophobicContact SD-CD2 4.2Å; A42-L46 PolarHBondContact O-N 2.99Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.49Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 3.16Å; L46-F49 HydrophobicContact CD1-CD1 4.1Å; L46-F49 WeakPolarHBondContact O-CB 3.35Å; L46-F49 PolarHBondContact O-N 3.07Å; L46-F49 VanDerWaalsContact O-N 3.14Å; L46-L50 HydrophobicContact CD1-CD1 4.49Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.2Å; L46-L81 HydrophobicContact CB-CD2 4.33Å; L46-L81 HydrophobicContact CD1-CD2 4.2Å; L46-W84 HydrophobicContact CD1-CE3 4.27Å; L46-W84 HydrophobicContact CD1-CZ3 4.31Å; L46-W84 HydrophobicContact CD2-CE3 4.21Å; L46-W84 HydrophobicContact CD2-CH2 4.16Å; L46-W84 HydrophobicContact CD2-CZ3 3.56Å
47G98.5Very high98.5Very high34 Ų3461.6 Ų61.635%0.35132%0.316SS..Hα-helixtrans-54.7-47.2176.200000111.9Y43 V44 V45 L50 V51Y43-G47 PolarHBondContact O-N 2.69Å; V44-G47 PolarHBondContact O-N 3Å; V45-G47 VanDerWaalsContact C-N 3.33Å; V45-G47 PolarHBondContact O-N 2.71Å; G47-L50 PolarHBondContact O-N 3.15Å; G47-V51 WeakPolarHBondContact O-CG2 3.39Å; G47-V51 PolarHBondContact O-N 2.96Å
48Q98.8Very high98.6Very high44 Ų4459.6 Ų59.621%0.20632%0.315CS..Hα-helixtrans-64.2-41.7175.6-179.862.216.300113.1F39 V44 V45 L46 L50 V51 L52 W62F39-Q48 HydrophobicContact CE1-CB 3.99Å; F39-Q48 HydrophobicContact CE1-CG 4.47Å; V44-Q48 PolarHBondContact O-N 3.32Å; V44-Q48 VanDerWaalsContact O-N 3.13Å; V45-Q48 PolarHBondContact O-N 2.9Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 3.16Å; Q48-L50 PolarHBondContact O-N 3.42Å; Q48-V51 PolarHBondContact O-N 2.89Å; Q48-L52 HydrophobicContact CG-CD1 4.35Å; Q48-L52 WeakPolarHBondContact O-CG 3.41Å; Q48-L52 PolarHBondContact O-N 3.23Å; Q48-W62 HydrophobicContact CB-CH2 4.28Å; Q48-W62 HydrophobicContact CB-CZ2 4.24Å; Q48-W62 HydrophobicContact CG-CD2 3.67Å; Q48-W62 VanDerWaalsContact CG-CE2 3.43Å; Q48-W62 HydrophobicContact CG-CE3 4Å; Q48-W62 HydrophobicContact CG-CG 4.3Å; Q48-W62 HydrophobicContact CG-CH2 3.92Å; Q48-W62 HydrophobicContact CG-CZ2 3.6Å; Q48-W62 HydrophobicContact CG-CZ3 4.1Å
49F98.8Very high98.6Very high0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-56.7-39174.2174.6-107.5000112.1V45 L46 L52 K53 K54 F59 F78 L81 R82V45-F49 WeakPolarHBondContact O-CB 3.44Å; V45-F49 PolarHBondContact O-N 3.37Å; L46-F49 HydrophobicContact CD1-CD1 4.1Å; L46-F49 WeakPolarHBondContact O-CB 3.35Å; L46-F49 PolarHBondContact O-N 3.07Å; L46-F49 VanDerWaalsContact O-N 3.14Å; F49-L52 CarbonylContact O-C 3.45Å; F49-K53 PolarHBondContact O-N 2.97Å; F49-K54 HydrophobicContact CD1-CG 4.02Å; F49-K54 HydrophobicContact CE1-CB 3.8Å; F49-K54 HydrophobicContact CE1-CD 3.84Å; F49-K54 HydrophobicContact CE1-CG 3.44Å; F49-K54 VanDerWaalsContact CE1-CG 3.44Å; F49-K54 HydrophobicContact CE2-CB 4.06Å; F49-K54 HydrophobicContact CZ-CB 3.52Å; F49-K54 HydrophobicContact CZ-CD 4.25Å; F49-K54 HydrophobicContact CZ-CG 3.75Å; F49-K54 PolarHBondContact O-N 3.31Å; F49-F59 HydrophobicContact CB-CD2 3.98Å; F49-F59 HydrophobicContact CB-CE2 3.85Å; F49-F59 HydrophobicContact CD2-CB 4.34Å; F49-F59 HydrophobicContact CD2-CD1 4.37Å; F49-F59 AromaticContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CE2 4.01Å; F49-F59 AromaticContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CZ 4.5Å; F49-F59 HydrophobicContact CG-CD2 4.34Å; F49-F59 HydrophobicContact CG-CE2 4.42Å; F49-F78 HydrophobicContact CD2-CD2 4.39Å; F49-F78 AromaticContact CE2-CD2 3.57Å; F49-F78 HydrophobicContact CE2-CD2 3.57Å; F49-F78 AromaticContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CZ 4.49Å; F49-F78 HydrophobicContact CZ-CD2 4.44Å; F49-F78 HydrophobicContact CZ-CE2 4.14Å; F49-L81 HydrophobicContact CB-CD1 4.05Å; F49-L81 HydrophobicContact CD1-CB 4.17Å; F49-L81 HydrophobicContact CD2-CB 4.43Å; F49-L81 HydrophobicContact CD2-CD1 4.28Å; F49-L81 HydrophobicContact CE1-CB 4.15Å; F49-L81 HydrophobicContact CE2-CB 4.42Å; F49-L81 HydrophobicContact CG-CB 4.3Å; F49-L81 HydrophobicContact CG-CD1 4.12Å; F49-L81 HydrophobicContact CZ-CB 4.28Å; F49-R82 HydrophobicContact CZ-CB 4.33Å
50L98.7Very high98.6Very high68 Ų6858.1 Ų58.136%0.35629%0.293SS..Hα-helixtrans-74-37.3176.5-63.3175000112.8L46 G47 Q48 L52 K53 K54 L89L46-L50 HydrophobicContact CD1-CD1 4.49Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.2Å; G47-L50 PolarHBondContact O-N 3.15Å; Q48-L50 PolarHBondContact O-N 3.42Å; L50-L52 PolarHBondContact O-N 3.34Å; L50-K53 WeakPolarHBondContact O-CA 3.42Å; L50-K53 PolarHBondContact O-N 2.88Å; L50-K54 HydrophobicContact CD2-CD 4.44Å; L50-K54 VanDerWaalsContact CD2-CE 3.47Å; L50-K54 HydrophobicContact CD2-CG 4.18Å; L50-L89 HydrophobicContact CD1-CD2 3.96Å; L50-L89 HydrophobicContact CD2-CD2 3.78Å
51V98.7Very high98.6Very high105 Ų10560.2 Ų60.264%0.63630%0.301SS*.Hα-helixtrans-58.6-40.3172.1167.80000110.9G47 Q48 K53G47-V51 WeakPolarHBondContact O-CG2 3.39Å; G47-V51 PolarHBondContact O-N 2.96Å; Q48-V51 PolarHBondContact O-N 2.89Å; V51-K53 PolarHBondContact O-N 3Å
52L98.7Very high98.6Very high33 Ų3359.4 Ų59.417%0.17330%0.296CS..THydrogen-bonded Turntrans-78.311.9174-60.3177.8000113.3Q48 F49 L50 K54 D55 L58 F59 W62Q48-L52 HydrophobicContact CG-CD1 4.35Å; Q48-L52 WeakPolarHBondContact O-CG 3.41Å; Q48-L52 PolarHBondContact O-N 3.23Å; F49-L52 CarbonylContact O-C 3.45Å; L50-L52 PolarHBondContact O-N 3.34Å; L52-K54 PolarHBondContact O-N 3.21Å; L52-D55 VanDerWaalsContact O-CB 3.23Å; L52-D55 WeakPolarHBondContact O-CB 3.43Å; L52-D55 PolarHBondContact O-N 3.33Å; L52-L58 HydrophobicContact CB-CB 4.48Å; L52-L58 HydrophobicContact CD2-CB 4.38Å; L52-F59 HydrophobicContact CD1-CB 4.27Å; L52-F59 HydrophobicContact CD1-CD2 4.33Å; L52-W62 HydrophobicContact CD1-CB 3.75Å; L52-W62 HydrophobicContact CD1-CD2 4.46Å; L52-W62 HydrophobicContact CD1-CG 4.03Å
53K98.4Very high98.6Very high183 Ų18359.4 Ų59.480%0.79630%0.296SS*.THydrogen-bonded Turntrans56.431.2176.1-56.1-178.3-179.5177.40114.1F49 L50 V51 D55F49-K53 PolarHBondContact O-N 2.97Å; L50-K53 WeakPolarHBondContact O-CA 3.42Å; L50-K53 PolarHBondContact O-N 2.88Å; V51-K53 PolarHBondContact O-N 3Å; K53-D55 PolarHBondContact O-N 3.28Å; K53-D55 VanDerWaalsContact O-N 3.17Å
54K98.2Very high98.6Very high77 Ų7760.3 Ų60.334%0.33530%0.302SS..THydrogen-bonded Turntrans57.822.6-176-45.1-174.5178.1176.60113F49 L50 L52 E56 F78F49-K54 HydrophobicContact CD1-CG 4.02Å; F49-K54 HydrophobicContact CE1-CB 3.8Å; F49-K54 HydrophobicContact CE1-CD 3.84Å; F49-K54 HydrophobicContact CE1-CG 3.44Å; F49-K54 VanDerWaalsContact CE1-CG 3.44Å; F49-K54 HydrophobicContact CE2-CB 4.06Å; F49-K54 HydrophobicContact CZ-CB 3.52Å; F49-K54 HydrophobicContact CZ-CD 4.25Å; F49-K54 HydrophobicContact CZ-CG 3.75Å; F49-K54 PolarHBondContact O-N 3.31Å; L50-K54 HydrophobicContact CD2-CD 4.44Å; L50-K54 VanDerWaalsContact CD2-CE 3.47Å; L50-K54 HydrophobicContact CD2-CG 4.18Å; L52-K54 PolarHBondContact O-N 3.21Å; K54-E56 PolarHBondContact O-N 2.96Å; K54-F78 WeakPolarHBondContact O-CE2 3.39Å
55D98.6Very high98.6Very high69 Ų6963.7 Ų63.737%0.36932%0.319SS..  trans-71.3126177-174-76.2000110L52 K53 D57 L58 F59L52-D55 VanDerWaalsContact O-CB 3.23Å; L52-D55 WeakPolarHBondContact O-CB 3.43Å; L52-D55 PolarHBondContact O-N 3.33Å; K53-D55 PolarHBondContact O-N 3.28Å; K53-D55 VanDerWaalsContact O-N 3.17Å; D55-D57 PolarHBondContact OD1-N 3.24Å; D55-L58 HydrophobicContact CB-CB 4.09Å; D55-L58 HydrophobicContact CB-CD1 3.99Å; D55-L58 HydrophobicContact CB-CG 4.18Å; D55-L58 WeakPolarHBondContact OD1-CG 3.4Å; D55-L58 PolarHBondContact OD1-N 2.9Å; D55-F59 WeakPolarHBondContact O-CB 3.36Å; D55-F59 PolarHBondContact O-N 3.4Å
56E98.6Very high98.6Very high64 Ų6464.5 Ų64.530%0.29932%0.324SS..Hα-helixtrans-66.6-45.1-173.8-176.9174.1161.600112.3K54 R60 F78K54-E56 PolarHBondContact O-N 2.96Å; E56-R60 VanDerWaalsContact CG-CD 3.47Å; E56-R60 HydrophobicContact CG-CG 4.28Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CD 3.07Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 2.95Å; E56-R60 IonicContact OE1-CZ 2.69Å; E56-R60 IonicContact OE1-NH1 2.76Å; E56-R60 PolarHBondContact OE1-NH1 2.83Å; E56-F78 HydrophobicContact CB-CD1 4.35Å; E56-F78 HydrophobicContact CB-CD2 4.12Å; E56-F78 HydrophobicContact CB-CE1 3.88Å; E56-F78 HydrophobicContact CB-CE2 3.63Å; E56-F78 HydrophobicContact CB-CG 4.47Å; E56-F78 HydrophobicContact CB-CZ 3.51Å; E56-F78 HydrophobicContact CG-CD1 3.87Å; E56-F78 HydrophobicContact CG-CD2 4.09Å; E56-F78 HydrophobicContact CG-CE1 3.85Å; E56-F78 HydrophobicContact CG-CE2 4.08Å; E56-F78 HydrophobicContact CG-CG 4Å; E56-F78 HydrophobicContact CG-CZ 3.98Å
57D98.5Very high98.6Very high114 Ų11463.8 Ų63.861%0.6132%0.321SS*.Hα-helixtrans-72.7-45.4-173.5-70.6-35.1000110.2D55 F59 R60 E61D55-D57 PolarHBondContact OD1-N 3.24Å; D57-F59 PolarHBondContact O-N 3.42Å; D57-R60 PolarHBondContact O-N 3.25Å; D57-E61 WeakPolarHBondContact O-CB 3.42Å; D57-E61 PolarHBondContact O-N 3.13Å
58L98.7Very high98.6Very high86 Ų8664.5 Ų64.545%0.4533%0.328SS..Hα-helixtrans-61.4-42.4175.9-65178.8000112L52 D55 W62L52-L58 HydrophobicContact CB-CB 4.48Å; L52-L58 HydrophobicContact CD2-CB 4.38Å; D55-L58 HydrophobicContact CB-CB 4.09Å; D55-L58 HydrophobicContact CB-CD1 3.99Å; D55-L58 HydrophobicContact CB-CG 4.18Å; D55-L58 WeakPolarHBondContact OD1-CG 3.4Å; D55-L58 PolarHBondContact OD1-N 2.9Å; L58-W62 VanDerWaalsContact O-CB 3.25Å; L58-W62 WeakPolarHBondContact O-CB 3.06Å; L58-W62 PolarHBondContact O-N 3.28Å
59F98.8Very high98.5Very high0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-67.2-41.9179179.2-98.6000112V45 F49 L52 D55 D57 W62 L63 C77 F78 L81V45-F59 HydrophobicContact CG1-CE2 4.09Å; V45-F59 HydrophobicContact CG1-CZ 4.05Å; F49-F59 HydrophobicContact CB-CD2 3.98Å; F49-F59 HydrophobicContact CB-CE2 3.85Å; F49-F59 HydrophobicContact CD2-CB 4.34Å; F49-F59 HydrophobicContact CD2-CD1 4.37Å; F49-F59 AromaticContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CE2 4.01Å; F49-F59 AromaticContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CZ 4.5Å; F49-F59 HydrophobicContact CG-CD2 4.34Å; F49-F59 HydrophobicContact CG-CE2 4.42Å; L52-F59 HydrophobicContact CD1-CB 4.27Å; L52-F59 HydrophobicContact CD1-CD2 4.33Å; D55-F59 WeakPolarHBondContact O-CB 3.36Å; D55-F59 PolarHBondContact O-N 3.4Å; D57-F59 PolarHBondContact O-N 3.42Å; F59-W62 AromaticContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CZ3 4.11Å; F59-W62 AromaticContact CE2-CE3 3.68Å; F59-W62 HydrophobicContact CE2-CE3 3.68Å; F59-W62 AromaticContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CE2-CZ3 3.48Å; F59-W62 VanDerWaalsContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CZ-CE3 4.36Å; F59-W62 HydrophobicContact CZ-CZ3 4.01Å; F59-W62 PolarHBondContact O-N 3.37Å; F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 3.49Å; F59-C77 HydrophobicContact CE1-CB 4.34Å; F59-F78 HydrophobicContact CB-CD2 4.28Å; F59-F78 HydrophobicContact CD1-CB 3.96Å; F59-F78 AromaticContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CG 4.48Å; F59-F78 HydrophobicContact CE1-CB 4.21Å; F59-F78 HydrophobicContact CG-CD2 4.38Å; F59-L81 HydrophobicContact CE1-CD1 4.23Å; F59-L81 HydrophobicContact CE2-CD1 3.96Å; F59-L81 HydrophobicContact CZ-CD1 3.5Å
60R98.7Very high98.5Very high50 Ų5066.5 Ų66.519%0.18934%0.34CS..Hα-helixtrans-68.6-38.5-179.8-71.2170.460.2-158-22111.7E56 D57 K64 S74E56-R60 VanDerWaalsContact CG-CD 3.47Å; E56-R60 HydrophobicContact CG-CG 4.28Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CD 3.07Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 2.95Å; E56-R60 IonicContact OE1-CZ 2.69Å; E56-R60 IonicContact OE1-NH1 2.76Å; E56-R60 PolarHBondContact OE1-NH1 2.83Å; D57-R60 PolarHBondContact O-N 3.25Å; R60-K64 WeakPolarHBondContact O-CB 3.4Å; R60-K64 PolarHBondContact O-N 3.49Å; R60-K64 VanDerWaalsContact O-N 3.09Å; R60-S74 PolarHBondContact NE-OG 3.29Å
61E98.8Very high98.5Very high115 Ų11566.1 Ų66.154%0.53735%0.347SS..Hα-helixtrans-62.4-51.4171.9-176171.6-16200110.9D57 L63 K64 D65D57-E61 WeakPolarHBondContact O-CB 3.42Å; D57-E61 PolarHBondContact O-N 3.13Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.97Å; E61-K64 WeakPolarHBondContact O-CB 3.22Å; E61-K64 PolarHBondContact O-N 3.15Å; E61-K64 VanDerWaalsContact O-N 3.15Å; E61-D65 PolarHBondContact O-N 2.87Å
62W98.8Very high98.4Very high37 Ų3767.5 Ų67.514%0.1434%0.344CS..Hα-helixtrans-54.6-45.6176.6167.377.6000112.6L34 F39 V45 Q48 L52 L58 F59 K64 D65 T66L34-W62 HydrophobicContact CD2-CH2 4.32Å; F39-W62 HydrophobicContact CD1-CH2 4.27Å; F39-W62 HydrophobicContact CD1-CZ2 4.16Å; F39-W62 HydrophobicContact CD2-CZ2 4.38Å; F39-W62 HydrophobicContact CE1-CH2 4.18Å; F39-W62 AromaticContact CE1-CZ2 3.72Å; F39-W62 HydrophobicContact CE1-CZ2 3.72Å; F39-W62 AromaticContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CG-CZ2 4.49Å; F39-W62 HydrophobicContact CZ-CH2 4.49Å; F39-W62 AromaticContact CZ-CZ2 3.62Å; F39-W62 HydrophobicContact CZ-CZ2 3.62Å; V45-W62 HydrophobicContact CG1-CH2 4.09Å; V45-W62 HydrophobicContact CG1-CZ3 4.04Å; V45-W62 HydrophobicContact CG2-CH2 4.48Å; Q48-W62 HydrophobicContact CB-CH2 4.28Å; Q48-W62 HydrophobicContact CB-CZ2 4.24Å; Q48-W62 HydrophobicContact CG-CD2 3.67Å; Q48-W62 VanDerWaalsContact CG-CE2 3.43Å; Q48-W62 HydrophobicContact CG-CE3 4Å; Q48-W62 HydrophobicContact CG-CG 4.3Å; Q48-W62 HydrophobicContact CG-CH2 3.92Å; Q48-W62 HydrophobicContact CG-CZ2 3.6Å; Q48-W62 HydrophobicContact CG-CZ3 4.1Å; L52-W62 HydrophobicContact CD1-CB 3.75Å; L52-W62 HydrophobicContact CD1-CD2 4.46Å; L52-W62 HydrophobicContact CD1-CG 4.03Å; L58-W62 VanDerWaalsContact O-CB 3.25Å; L58-W62 WeakPolarHBondContact O-CB 3.06Å; L58-W62 PolarHBondContact O-N 3.28Å; F59-W62 AromaticContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CZ3 4.11Å; F59-W62 AromaticContact CE2-CE3 3.68Å; F59-W62 HydrophobicContact CE2-CE3 3.68Å; F59-W62 AromaticContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CE2-CZ3 3.48Å; F59-W62 VanDerWaalsContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CZ-CE3 4.36Å; F59-W62 HydrophobicContact CZ-CZ3 4.01Å; F59-W62 PolarHBondContact O-N 3.37Å; W62-K64 VanDerWaalsContact C-N 3.34Å; W62-K64 PolarHBondContact O-N 2.95Å; W62-D65 PolarHBondContact O-N 3.35Å; W62-T66 VanDerWaalsContact CE2-OG1 3.29Å; W62-T66 HydrophobicContact CZ2-CG2 3.98Å; W62-T66 PolarHBondContact NE1-OG1 3.44Å; W62-T66 WeakPolarHBondContact O-CB 3.25Å; W62-T66 PolarHBondContact O-N 3.37Å; W62-T66 PolarHBondContact O-OG1 2.76Å
63L98.7Very high98.4Very high0 Ų068.4 Ų68.40%035%0.348CS..Hα-helixtrans-67.7-37.8-178.2-16872.7000111.6I26 L34 F59 E61 T66 C67 A69 C77I26-L63 HydrophobicContact CD1-CD1 4.14Å; I26-L63 HydrophobicContact CD1-CD2 4.01Å; L34-L63 HydrophobicContact CD1-CD1 4.36Å; L34-L63 HydrophobicContact CD2-CD1 4.32Å; F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 3.49Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.97Å; L63-T66 PolarHBondContact O-N 3.47Å; L63-C67 PolarHBondContact O-N 3.31Å; L63-C67 PolarHBondContact O-SG 3.05Å; L63-A69 HydrophobicContact CB-CB 4.48Å; L63-A69 HydrophobicContact CD2-CB 3.78Å; L63-A69 HydrophobicContact CG-CB 3.79Å; L63-C77 HydrophobicContact CD2-CB 4Å
64K98.6Very high98.4Very high128 Ų12859.9 Ų59.956%0.55731%0.311SS*.Hα-helixtrans-61.3-47.6173.3178.7-171.6171.6-160.90110.8R60 E61 W62 T66 G68R60-K64 WeakPolarHBondContact O-CB 3.4Å; R60-K64 PolarHBondContact O-N 3.49Å; R60-K64 VanDerWaalsContact O-N 3.09Å; E61-K64 WeakPolarHBondContact O-CB 3.22Å; E61-K64 PolarHBondContact O-N 3.15Å; E61-K64 VanDerWaalsContact O-N 3.15Å; W62-K64 VanDerWaalsContact C-N 3.34Å; W62-K64 PolarHBondContact O-N 2.95Å; K64-T66 VanDerWaalsContact C-N 3.32Å; K64-T66 PolarHBondContact O-N 2.91Å; K64-G68 WeakPolarHBondContact O-CA 3.19Å; K64-G68 PolarHBondContact O-N 3.14Å
65D98.4Very high98.4Very high112 Ų11263 Ų6360%0.59932%0.321SS*.Hα-helixtrans-70.4-32.6-178.2-69.1-10.7000112.2E61 W62E61-D65 PolarHBondContact O-N 2.87Å; W62-D65 PolarHBondContact O-N 3.35Å
66T98.3Very high98.4Very high17 Ų1762.3 Ų62.310%0.10432%0.317CS..Hα-helixtrans-76.6-44.8-178.5-58.50000112L34 R37 F39 W62 L63 K64L34-T66 HydrophobicContact CD2-CG2 3.76Å; R37-T66 VanDerWaalsContact CD-CG2 3.48Å; R37-T66 VanDerWaalsContact CD-O 3.22Å; R37-T66 WeakPolarHBondContact CD-O 3.48Å; R37-T66 PolarHBondContact NE-O 3.1Å; R37-T66 PolarHBondContact NH1-O 3.15Å; R37-T66 VanDerWaalsContact NH1-O 3.14Å; R37-T66 PolarHBondContact NH2-O 2.64Å; F39-T66 HydrophobicContact CD2-CG2 4.37Å; F39-T66 HydrophobicContact CE2-CG2 4.31Å; W62-T66 VanDerWaalsContact CE2-OG1 3.29Å; W62-T66 HydrophobicContact CZ2-CG2 3.98Å; W62-T66 PolarHBondContact NE1-OG1 3.44Å; W62-T66 WeakPolarHBondContact O-CB 3.25Å; W62-T66 PolarHBondContact O-N 3.37Å; W62-T66 PolarHBondContact O-OG1 2.76Å; L63-T66 PolarHBondContact O-N 3.47Å; K64-T66 VanDerWaalsContact C-N 3.32Å; K64-T66 PolarHBondContact O-N 2.91Å
67C98.1Very high98.4Very high4 Ų459.3 Ų59.33%0.02730%0.303CS..Hα-helixtrans-1311.3-174.767.60000115.1L30 K33 L34 L63L30-C67 HydrophobicContact CD2-CB 4.29Å; L30-C67 WeakPolarHBondContact CD2-O 3.23Å; K33-C67 HydrophobicContact CB-CB 3.82Å; K33-C67 HydrophobicContact CD-CB 4.37Å; K33-C67 WeakPolarHBondContact CD-O 3.38Å; K33-C67 PolarHBondContact NZ-O 3.07Å; L34-C67 HydrophobicContact CD2-CB 4.15Å; L34-C67 HydrophobicContact CG-CB 3.92Å; L63-C67 PolarHBondContact O-N 3.31Å; L63-C67 PolarHBondContact O-SG 3.05Å
68G98Very high98.4Very high49 Ų4954.3 Ų54.351%0.50528%0.276SS..  trans77.425-177.800000113.3K64 N70K64-G68 WeakPolarHBondContact O-CA 3.19Å; K64-G68 PolarHBondContact O-N 3.14Å; G68-N70 PolarHBondContact O-N 2.85Å
69A98.4Very high98.4Very high2 Ų251.4 Ų51.42%0.01727%0.267CS..  trans-60.4135.1176.500000111.2L30 L63 Q73L30-A69 HydrophobicContact CD1-CB 3.91Å; L63-A69 HydrophobicContact CB-CB 4.48Å; L63-A69 HydrophobicContact CD2-CB 3.78Å; L63-A69 HydrophobicContact CG-CB 3.79Å; A69-Q73 HydrophobicContact CB-CB 4.14Å
70N98.3Very high98.4Very high83 Ų8351.4 Ų51.444%0.44427%0.267SS..  trans-81172.5173.470.841.6000111.9G68 K72 Q73 S74G68-N70 PolarHBondContact O-N 2.85Å; N70-K72 PolarHBondContact O-N 3.21Å; N70-K72 VanDerWaalsContact O-N 3.15Å; N70-K72 WeakPolarHBondContact OD1-CA 3.36Å; N70-K72 WeakPolarHBondContact OD1-CB 3.48Å; N70-K72 PolarHBondContact OD1-N 2.77Å; N70-Q73 VanDerWaalsContact CG-OE1 3.23Å; N70-Q73 PolarHBondContact ND2-OE1 3.48Å; N70-Q73 PolarHBondContact O-N 2.97Å; N70-Q73 VanDerWaalsContact O-N 3.13Å; N70-Q73 WeakPolarHBondContact OD1-CG 3.5Å; N70-Q73 PolarHBondContact OD1-N 3.05Å; N70-S74 WeakPolarHBondContact O-CB 3.18Å; N70-S74 PolarHBondContact O-N 2.85Å; N70-S74 PolarHBondContact O-OG 3.21Å
71A98.1Very high98.4Very high61 Ų6149 Ų4950%0.50426%0.258SS..Hα-helixtrans-56.8-33.3-176.500000114.3S74 R75A71-S74 PolarHBondContact O-OG 2.91Å; A71-R75 VanDerWaalsContact O-CB 3.25Å; A71-R75 WeakPolarHBondContact O-CB 3.45Å; A71-R75 PolarHBondContact O-N 3.31Å
72K97.3Very high98.3Very high133 Ų13350 Ų5058%0.57826%0.257SS*.Hα-helixtrans-72.9-50176.3173.6166.8174.5450110.8N70 S74 R75 D76N70-K72 PolarHBondContact O-N 3.21Å; N70-K72 VanDerWaalsContact O-N 3.15Å; N70-K72 WeakPolarHBondContact OD1-CA 3.36Å; N70-K72 WeakPolarHBondContact OD1-CB 3.48Å; N70-K72 PolarHBondContact OD1-N 2.77Å; K72-S74 VanDerWaalsContact C-N 3.33Å; K72-S74 PolarHBondContact O-N 3.22Å; K72-R75 PolarHBondContact O-N 3.48Å; K72-D76 IonicContact NZ-OD1 2.87Å; K72-D76 PolarHBondContact NZ-OD1 3.32Å; K72-D76 IonicContact NZ-OD2 3.83Å; K72-D76 PolarHBondContact NZ-OD2 2.99Å; K72-D76 WeakPolarHBondContact O-CB 3.32Å; K72-D76 VanDerWaalsContact O-CG 3.22Å; K72-D76 PolarHBondContact O-N 3.01Å
73Q98.2Very high98.3Very high53 Ų5352.4 Ų52.425%0.24827%0.27CS..Hα-helixtrans-59.7-44.4-179.7-70.3168.3-42.400111.6G25 L30 A69 N70 R75 D76 C77G25-Q73 WeakPolarHBondContact O-CB 3.44Å; G25-Q73 WeakPolarHBondContact O-CG 3.43Å; L30-Q73 HydrophobicContact CD1-CB 4.13Å; L30-Q73 HydrophobicContact CD1-CG 4.21Å; A69-Q73 HydrophobicContact CB-CB 4.14Å; N70-Q73 VanDerWaalsContact CG-OE1 3.23Å; N70-Q73 PolarHBondContact ND2-OE1 3.48Å; N70-Q73 PolarHBondContact O-N 2.97Å; N70-Q73 VanDerWaalsContact O-N 3.13Å; N70-Q73 WeakPolarHBondContact OD1-CG 3.5Å; N70-Q73 PolarHBondContact OD1-N 3.05Å; Q73-R75 PolarHBondContact O-N 2.71Å; Q73-D76 PolarHBondContact O-N 3.5Å; Q73-C77 WeakPolarHBondContact O-CB 3.08Å; Q73-C77 PolarHBondContact O-N 3.05Å
74S98.4Very high98.3Very high4 Ų453.5 Ų53.53%0.02827%0.274CS..Hα-helixtrans-65.1-39.3178.6700000112.5R60 N70 A71 K72 F78R60-S74 PolarHBondContact NE-OG 3.29Å; N70-S74 WeakPolarHBondContact O-CB 3.18Å; N70-S74 PolarHBondContact O-N 2.85Å; N70-S74 PolarHBondContact O-OG 3.21Å; A71-S74 PolarHBondContact O-OG 2.91Å; K72-S74 VanDerWaalsContact C-N 3.33Å; K72-S74 PolarHBondContact O-N 3.22Å; S74-F78 VanDerWaalsContact O-CB 3.32Å; S74-F78 WeakPolarHBondContact O-CB 3.49Å; S74-F78 PolarHBondContact O-N 3.17Å
75R98.1Very high98.3Very high143 Ų14347.4 Ų47.454%0.5425%0.247SC..Hα-helixtrans-69.2-43.4177.5-174.6-177.8-60.8-160-1.5111.8A71 K72 Q73 C77 F78 G79A71-R75 VanDerWaalsContact O-CB 3.25Å; A71-R75 WeakPolarHBondContact O-CB 3.45Å; A71-R75 PolarHBondContact O-N 3.31Å; K72-R75 PolarHBondContact O-N 3.48Å; Q73-R75 PolarHBondContact O-N 2.71Å; R75-C77 VanDerWaalsContact C-N 3.32Å; R75-C77 PolarHBondContact O-N 3.43Å; R75-F78 PolarHBondContact O-N 3.19Å; R75-G79 PolarHBondContact O-N 2.89Å
76D98.2Very high98.3Very high54 Ų5447.7 Ų47.729%0.28925%0.249SC..Hα-helixtrans-62.7-41.6177.9-69.2-12.3000110.4K72 Q73 C80K72-D76 IonicContact NZ-OD1 2.87Å; K72-D76 PolarHBondContact NZ-OD1 3.32Å; K72-D76 IonicContact NZ-OD2 3.83Å; K72-D76 PolarHBondContact NZ-OD2 2.99Å; K72-D76 WeakPolarHBondContact O-CB 3.32Å; K72-D76 VanDerWaalsContact O-CG 3.22Å; K72-D76 PolarHBondContact O-N 3.01Å; Q73-D76 PolarHBondContact O-N 3.5Å; D76-C80 VanDerWaalsContact O-CB 3.29Å; D76-C80 WeakPolarHBondContact O-CB 3.33Å; D76-C80 PolarHBondContact O-N 3.17Å
77C98.6Very high98.2Very high0 Ų050 Ų500%027%0.269CS..Hα-helixtrans-66.7-44.4175.9-171.30000112.4A24 I26 F59 L63 Q73 R75 C80 L81A24-C77 WeakPolarHBondContact O-CA 3.47Å; A24-C77 VanDerWaalsContact O-CB 3.27Å; A24-C77 WeakPolarHBondContact O-CB 3.39Å; A24-C77 PolarHBondContact O-N 3.05Å; I26-C77 HydrophobicContact CD1-CB 4.24Å; I26-C77 HydrophobicContact CG1-CB 4.44Å; F59-C77 HydrophobicContact CE1-CB 4.34Å; L63-C77 HydrophobicContact CD2-CB 4Å; Q73-C77 WeakPolarHBondContact O-CB 3.08Å; Q73-C77 PolarHBondContact O-N 3.05Å; R75-C77 VanDerWaalsContact C-N 3.32Å; R75-C77 PolarHBondContact O-N 3.43Å; C77-C80 PolarHBondContact O-N 3.48Å; C77-L81 PolarHBondContact O-N 3.49Å
78F98.7Very high98.2Very high10 Ų1053.8 Ų53.84%0.04429%0.285CS..Hα-helixtrans-58.2-50.5175.9175.5-93000111.4F49 K54 E56 F59 S74 R75 C80 L81 R82F49-F78 HydrophobicContact CD2-CD2 4.39Å; F49-F78 AromaticContact CE2-CD2 3.57Å; F49-F78 HydrophobicContact CE2-CD2 3.57Å; F49-F78 AromaticContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CZ 4.49Å; F49-F78 HydrophobicContact CZ-CD2 4.44Å; F49-F78 HydrophobicContact CZ-CE2 4.14Å; K54-F78 WeakPolarHBondContact O-CE2 3.39Å; E56-F78 HydrophobicContact CB-CD1 4.35Å; E56-F78 HydrophobicContact CB-CD2 4.12Å; E56-F78 HydrophobicContact CB-CE1 3.88Å; E56-F78 HydrophobicContact CB-CE2 3.63Å; E56-F78 HydrophobicContact CB-CG 4.47Å; E56-F78 HydrophobicContact CB-CZ 3.51Å; E56-F78 HydrophobicContact CG-CD1 3.87Å; E56-F78 HydrophobicContact CG-CD2 4.09Å; E56-F78 HydrophobicContact CG-CE1 3.85Å; E56-F78 HydrophobicContact CG-CE2 4.08Å; E56-F78 HydrophobicContact CG-CG 4Å; E56-F78 HydrophobicContact CG-CZ 3.98Å; F59-F78 HydrophobicContact CB-CD2 4.28Å; F59-F78 HydrophobicContact CD1-CB 3.96Å; F59-F78 AromaticContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CG 4.48Å; F59-F78 HydrophobicContact CE1-CB 4.21Å; F59-F78 HydrophobicContact CG-CD2 4.38Å; S74-F78 VanDerWaalsContact O-CB 3.32Å; S74-F78 WeakPolarHBondContact O-CB 3.49Å; S74-F78 PolarHBondContact O-N 3.17Å; R75-F78 PolarHBondContact O-N 3.19Å; F78-C80 VanDerWaalsContact C-N 3.29Å; F78-C80 PolarHBondContact O-N 3.45Å; F78-L81 PolarHBondContact O-N 2.93Å; F78-R82 HydrophobicContact CE1-CB 4.44Å; F78-R82 VanDerWaalsContact O-CB 3.3Å; F78-R82 WeakPolarHBondContact O-CB 3.42Å; F78-R82 PolarHBondContact O-N 2.99Å
79G98.2Very high98Very high25 Ų2558 Ų5826%0.25830%0.296SS..Hα-helixtrans-60.3-40.1179.400000112.3R75 R82 E83R75-G79 PolarHBondContact O-N 2.89Å; G79-R82 PolarHBondContact O-N 3.15Å; G79-E83 WeakPolarHBondContact O-CB 3.46Å; G79-E83 PolarHBondContact O-N 3.25Å
80C98.5Very high98Very high0 Ų060.8 Ų60.80%031%0.31CS..Hα-helixtrans-63.4-46.7176.7-176.60000112.6H7 F10 A24 D76 C77 F78 W84H7-C80 VanDerWaalsContact CE1-CA 3.48Å; H7-C80 WeakPolarHBondContact CE1-CA 3.41Å; H7-C80 PolarHBondContact CE1-N 3.43Å; F10-C80 WeakPolarHBondContact CD1-SG 3.44Å; A24-C80 HydrophobicContact CB-CB 3.67Å; D76-C80 VanDerWaalsContact O-CB 3.29Å; D76-C80 WeakPolarHBondContact O-CB 3.33Å; D76-C80 PolarHBondContact O-N 3.17Å; C77-C80 PolarHBondContact O-N 3.48Å; F78-C80 VanDerWaalsContact C-N 3.29Å; F78-C80 PolarHBondContact O-N 3.45Å; C80-W84 VanDerWaalsContact O-CB 3.31Å; C80-W84 WeakPolarHBondContact O-CB 3.3Å; C80-W84 PolarHBondContact O-N 3.25Å
81L98.7Very high98Very high0 Ų059.6 Ų59.60%030%0.302CS..Hα-helixtrans-67.9-38.8177.3-72.7170.7000112.5M15 L23 V45 L46 F49 F59 C77 F78 W84 C85M15-L81 HydrophobicContact CE-CD2 3.93Å; L23-L81 HydrophobicContact CD2-CD2 3.58Å; L23-L81 HydrophobicContact CD2-CG 4.03Å; V45-L81 HydrophobicContact CG1-CD1 3.99Å; L46-L81 HydrophobicContact CB-CD2 4.33Å; L46-L81 HydrophobicContact CD1-CD2 4.2Å; F49-L81 HydrophobicContact CB-CD1 4.05Å; F49-L81 HydrophobicContact CD1-CB 4.17Å; F49-L81 HydrophobicContact CD2-CB 4.43Å; F49-L81 HydrophobicContact CD2-CD1 4.28Å; F49-L81 HydrophobicContact CE1-CB 4.15Å; F49-L81 HydrophobicContact CE2-CB 4.42Å; F49-L81 HydrophobicContact CG-CB 4.3Å; F49-L81 HydrophobicContact CG-CD1 4.12Å; F49-L81 HydrophobicContact CZ-CB 4.28Å; F59-L81 HydrophobicContact CE1-CD1 4.23Å; F59-L81 HydrophobicContact CE2-CD1 3.96Å; F59-L81 HydrophobicContact CZ-CD1 3.5Å; C77-L81 PolarHBondContact O-N 3.49Å; F78-L81 PolarHBondContact O-N 2.93Å; L81-W84 PolarHBondContact O-N 3.25Å; L81-C85 WeakPolarHBondContact O-CB 3.38Å; L81-C85 PolarHBondContact O-N 3.13Å; L81-C85 PolarHBondContact O-SG 3.44Å
82R98.5Very high97.9Very high135 Ų13559.5 Ų59.551%0.50929%0.291SS..Hα-helixtrans-62.5-51.6177.2-179.7176172.2170.9-0.3111.2F49 F78 G79 W84 C85 D86F49-R82 HydrophobicContact CZ-CB 4.33Å; F78-R82 HydrophobicContact CE1-CB 4.44Å; F78-R82 VanDerWaalsContact O-CB 3.3Å; F78-R82 WeakPolarHBondContact O-CB 3.42Å; F78-R82 PolarHBondContact O-N 2.99Å; G79-R82 PolarHBondContact O-N 3.15Å; R82-W84 VanDerWaalsContact C-N 3.32Å; R82-W84 PolarHBondContact O-N 3.17Å; R82-C85 WeakPolarHBondContact O-CB 3.11Å; R82-C85 PolarHBondContact O-N 3.35Å; R82-C85 VanDerWaalsContact O-N 3.16Å; R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 2.9Å
83E98.3Very high98Very high88 Ų8855.2 Ų55.241%0.41127%0.274SS..Hα-helixtrans-63.5-38.5178.5-175.9174.3162.100111.7H7 V11 G79 C85 D86 A87H7-E83 IonicContact CD2-OE2 3.68Å; H7-E83 IonicContact CE1-OE2 3.56Å; H7-E83 IonicContact NE2-OE2 3.44Å; H7-E83 PolarHBondContact NE2-OE2 2.88Å; V11-E83 HydrophobicContact CB-CG 4.24Å; V11-E83 HydrophobicContact CG1-CB 4.14Å; V11-E83 HydrophobicContact CG1-CG 4.16Å; V11-E83 HydrophobicContact CG2-CG 4.35Å; V11-E83 WeakPolarHBondContact CG2-OE1 3.23Å; G79-E83 WeakPolarHBondContact O-CB 3.46Å; G79-E83 PolarHBondContact O-N 3.25Å; E83-C85 PolarHBondContact O-N 2.93Å; E83-D86 PolarHBondContact O-N 3.15Å; E83-A87 PolarHBondContact O-N 3.49Å
84W98.4Very high98Very high22 Ų2255.3 Ų55.38%0.08328%0.276CS..Hα-helixtrans-61.8-42.8173.2-173.590.5000112F10 V11 E13 M15 L46 C80 L81 R82 A87 F88 L89F10-W84 HydrophobicContact CD1-CB 4.44Å; F10-W84 HydrophobicContact CD1-CG 4.43Å; F10-W84 HydrophobicContact CE1-CB 4.21Å; F10-W84 AromaticContact CE1-CD1 3.84Å; F10-W84 AromaticContact CE1-CG 3.99Å; F10-W84 HydrophobicContact CE1-CG 3.99Å; V11-W84 HydrophobicContact CG1-CB 4.27Å; E13-W84 PolarHBondContact O-NE1 3.25Å; E13-W84 VanDerWaalsContact O-NE1 3.08Å; M15-W84 HydrophobicContact CB-CD2 4.47Å; M15-W84 HydrophobicContact CB-CH2 4.25Å; M15-W84 HydrophobicContact CB-CZ2 3.53Å; M15-W84 HydrophobicContact CE-CD2 3.77Å; M15-W84 HydrophobicContact CE-CE3 3.85Å; M15-W84 HydrophobicContact CE-CG 4.21Å; M15-W84 HydrophobicContact CE-CZ3 4.27Å; L46-W84 HydrophobicContact CD1-CE3 4.27Å; L46-W84 HydrophobicContact CD1-CZ3 4.31Å; L46-W84 HydrophobicContact CD2-CE3 4.21Å; L46-W84 HydrophobicContact CD2-CH2 4.16Å; L46-W84 HydrophobicContact CD2-CZ3 3.56Å; C80-W84 VanDerWaalsContact O-CB 3.31Å; C80-W84 WeakPolarHBondContact O-CB 3.3Å; C80-W84 PolarHBondContact O-N 3.25Å; L81-W84 PolarHBondContact O-N 3.25Å; R82-W84 VanDerWaalsContact C-N 3.32Å; R82-W84 PolarHBondContact O-N 3.17Å; W84-A87 PolarHBondContact O-N 3.09Å; W84-F88 AromaticContact CD1-CD2 3.66Å; W84-F88 HydrophobicContact CD2-CB 4.31Å; W84-F88 HydrophobicContact CD2-CD2 4.15Å; W84-F88 AromaticContact CE2-CD2 3.67Å; W84-F88 HydrophobicContact CG-CD2 4.11Å; W84-F88 HydrophobicContact CH2-CB 3.87Å; W84-F88 HydrophobicContact CZ2-CB 3.58Å; W84-F88 HydrophobicContact CZ2-CD2 4.22Å; W84-F88 HydrophobicContact CZ2-CG 4.12Å; W84-F88 HydrophobicContact CZ3-CB 4.33Å; W84-F88 AromaticContact NE1-CD2 3.34Å; W84-F88 VanDerWaalsContact NE1-CD2 3.34Å; W84-F88 AromaticContact NE1-CE2 3.88Å; W84-F88 PolarHBondContact O-N 2.92Å; W84-L89 HydrophobicContact CZ3-CB 4.33Å
85C98.1Very high97.9Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-60.7-46.4175.5-70.50000111.2L81 R82 E83 A87 F88 L89L81-C85 WeakPolarHBondContact O-CB 3.38Å; L81-C85 PolarHBondContact O-N 3.13Å; L81-C85 PolarHBondContact O-SG 3.44Å; R82-C85 WeakPolarHBondContact O-CB 3.11Å; R82-C85 PolarHBondContact O-N 3.35Å; R82-C85 VanDerWaalsContact O-N 3.16Å; E83-C85 PolarHBondContact O-N 2.93Å; C85-A87 PolarHBondContact O-N 2.91Å; C85-A87 VanDerWaalsContact O-N 3.11Å; C85-F88 PolarHBondContact O-N 3.04Å; C85-L89 HydrophobicContact CB-CB 4.4Å; C85-L89 PolarHBondContact O-N 2.87Å
86D97.8Very high97.9Very high119 Ų11952.7 Ų52.764%0.63628%0.275SS*.Hα-helixtrans-60.1-25.4-179-65.2-17000112.3R82 E83R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 2.9Å; E83-D86 PolarHBondContact O-N 3.15Å
87A97.2Very high97.9Very high65 Ų6552.6 Ų52.654%0.53727%0.274SS..Hα-helixtrans-90.9-32.6178.200000114.7E83 W84 C85E83-A87 PolarHBondContact O-N 3.49Å; W84-A87 PolarHBondContact O-N 3.09Å; C85-A87 PolarHBondContact O-N 2.91Å; C85-A87 VanDerWaalsContact O-N 3.11Å
88F97.4Very high97.8Very high83 Ų8357 Ų5736%0.36430%0.297SS..Hα-helixtrans-131.2-0.2-166.1-61.6-72.1000116V11 E13 P14 W84 C85V11-F88 WeakPolarHBondContact O-CE2 3.25Å; E13-F88 VanDerWaalsContact C-CE2 3.47Å; E13-F88 WeakPolarHBondContact O-CE2 3.5Å; P14-F88 HydrophobicContact CG-CD1 3.98Å; P14-F88 HydrophobicContact CG-CE1 3.82Å; P14-F88 HydrophobicContact CG-CZ 4.49Å; W84-F88 AromaticContact CD1-CD2 3.66Å; W84-F88 HydrophobicContact CD2-CB 4.31Å; W84-F88 HydrophobicContact CD2-CD2 4.15Å; W84-F88 AromaticContact CE2-CD2 3.67Å; W84-F88 HydrophobicContact CG-CD2 4.11Å; W84-F88 HydrophobicContact CH2-CB 3.87Å; W84-F88 HydrophobicContact CZ2-CB 3.58Å; W84-F88 HydrophobicContact CZ2-CD2 4.22Å; W84-F88 HydrophobicContact CZ2-CG 4.12Å; W84-F88 HydrophobicContact CZ3-CB 4.33Å; W84-F88 AromaticContact NE1-CD2 3.34Å; W84-F88 VanDerWaalsContact NE1-CD2 3.34Å; W84-F88 AromaticContact NE1-CE2 3.88Å; W84-F88 PolarHBondContact O-N 2.92Å; C85-F88 PolarHBondContact O-N 3.04Å
89L94.3Very high97.8Very high137 Ų13761.3 Ų61.372%0.71732%0.32SS*.  trans-135.50-179.7-179.467000112.8L50 W84 C85L50-L89 HydrophobicContact CD1-CD2 3.96Å; L50-L89 HydrophobicContact CD2-CD2 3.78Å; W84-L89 HydrophobicContact CZ3-CB 4.33Å; C85-L89 HydrophobicContact CB-CB 4.4Å; C85-L89 PolarHBondContact O-N 2.87Å

Retrieved 89 of 89 residues in 19.8 ms (Link to these results)