A0A096MLS4_PAPAN Loading...

Barrier-to-autointegration factor

AlphaFold DB (P61283), UniProt , Accession A0A096MLS4, Species PAPAN (Papio anubis, Olive baboon), 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 106.8 ms (Link to these results)

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